| 1 | # Charges were calculated using Hueckel-DelRe method with parametrization
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| 2 | # for Peptides and Proteins
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| 3 | #
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| 4 | # 1) Residues (X) at neutral N/C-termini for (NH2)-X-Ala-Ala-Ala-X-(COOH)
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| 5 | # ---------------------------------------------------------------------
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| 6 | # On average, a transfer of charge -.0102e occured TOWARDS N-terminus.
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| 7 | # Small deviations from this value were corrected for individual
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| 8 | # residues proportional to absolute value of the point charge at each
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| 9 | # atom. Thus, the sum of charges for a residue at (NH2)-terminus is:
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| 10 | # -.0102 + net charge of residue (0,+1,-1)
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| 11 | # and for a residue at the (COOH)-terminus is:
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| 12 | # +.0102 + net charge of residue (0,+1,-1)
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| 13 | #
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| 14 | # 2) Residues (X) at charged N/C-termini for (NH3+)-X-Ala-Ala-Ala-X-(COO-)
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| 15 | # ---------------------------------------------------------------------
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| 16 | # On average a tranfer of charge -.01e occured TOWARDS N-terminus,
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| 17 | # so that the sum of charges for neutral residues at (NH3+)-end was
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| 18 | # +.99e and at (COO-)-terminus -.99e . The sum of charges for residues
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| 19 | # with charged side groups can be obtained analogically to above formulae.
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| 20 | #
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| 21 | # ! no charges are available for single residues with BOTH ends modified
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| 22 | #
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| 23 | #nala 11
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| 24 | n h1 h2 ca ha cb hb1 hb2 hb3 c
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| 25 | o
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| 26 | -.6655, .2888, .2888,-.0323, .0800,-.2166, .0750, .0750, .0750, .5776,
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| 27 | -.5560,
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| 28 | #cala 12
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| 29 | n h ca ha cb hb1 hb2 hb3 c o
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| 30 | oxt hxt
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| 31 | -.2147, .2026,-.0545, .0723,-.2238, .0738, .0738, .0738, .6395,-.4860,
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| 32 | -.5030, .3564,
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| 33 | #+ala 12
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| 34 | n h1 h2 h3 ca ha cb hb1 hb2 hb3
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| 35 | c o
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| 36 | -.9331, .4803, .4803, .4803, .3041, .0978,-.1998, .0779, .0779, .0779,
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| 37 | .5968,-.5504,
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| 38 | #-ala 11
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| 39 | n h ca ha cb hb1 hb2 hb3 c o
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| 40 | oxt
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| 41 | -.2142, .2029,-.0198, .0735,-.2228, .0740, .0740, .0740, .6352,-.8334,
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| 42 | -.8334,
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| 43 | #narg 24
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| 44 | n h1 h2 ca ha cb hb1 hb2 cg hg1
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| 45 | hg2 cd hd1 hd2 ne he cz nh1 hh1 nh2
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| 46 | hh21 hh22 c o
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| 47 | -.6659, .2888, .2888,-.0349, .0797,-.1343, .0726, .0726,-.1384, .0720,
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| 48 | .0720,-.1324, .0749, .0749,-.1629, .2076, .4190,-.8787, .2846,-.4677,
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| 49 | .2883, .2883, .5772,-.5563,
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| 50 | #carg 25
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| 51 | n h ca ha cb hb1 hb2 cg hg1 hg2
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| 52 | cd hd1 hd2 ne he cz nh1 hh1 nh2 hh21
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| 53 | hh22 c o oxt hxt
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| 54 | -.2149, .2025,-.0568, .0721,-.1417, .0716, .0716,-.1394, .0719, .0719,
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| 55 | -.1325, .0748, .0748,-.1629, .2076, .4189,-.8788, .2845,-.4678, .2882,
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| 56 | .2882, .6392,-.4861,-.5031, .3564,
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| 57 | #+arg 25
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| 58 | n h1 h2 h3 ca ha cb hb1 hb2 cg
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| 59 | hg1 hg2 cd hd1 hd2 ne he cz nh1 hh1
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| 60 | nh2 hh21 hh22 c o
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| 61 | -.9334, .4801, .4801, .4801, .3013, .0974,-.1169, .0750, .0750,-.1360,
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| 62 | .0724, .0724,-.1320, .0749, .0749,-.1627, .2077, .4191,-.8785, .2846,
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| 63 | -.4676, .2883, .2883, .5962,-.5507,
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| 64 | #-arg 24
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| 65 | n h ca ha cb hb1 hb2 cg hg1 hg2
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| 66 | cd hd1 hd2 ne he cz nh1 hh1 nh2 hh21
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| 67 | hh22 c o oxt
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| 68 | -.2142, .2028,-.0209, .0732,-.1407, .0717, .0717,-.1393, .0719, .0719,
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| 69 | -.1325, .0748, .0748,-.1629, .2076, .4189,-.8788, .2845,-.4678, .2882,
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| 70 | .2882, .6337,-.8334,-.8334,
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| 71 | #narg+ 25
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| 72 | n h1 h2 ca ha cb hb1 hb2 cg hg1
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| 73 | hg2 cd hd1 hd2 ne he cz nh1 hh11 hh12
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| 74 | nh2 hh21 hh22 c o
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| 75 | -.6658, .2888, .2888,-.0349, .0797,-.1341, .0726, .0726,-.1368, .0723,
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| 76 | .0723,-.1273, .0765, .0765,-.0177, .2347, .3120,-.6245, .4219, .4219,
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| 77 | -.6245, .4219, .4219, .5773,-.5563,
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| 78 | #carg+ 26
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| 79 | n h ca ha cb hb1 hb2 cg hg1 hg2
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| 80 | cd hd1 hd2 ne he cz nh1 hh11 hh12 nh2
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| 81 | hh21 hh22 c o oxt hxt
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| 82 | -.2147, .2025,-.0569, .0721,-.1416, .0716, .0716,-.1378, .0721, .0721,
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| 83 | -.1274, .0765, .0765,-.0177, .2347, .3119,-.6245, .4218, .4218,-.6245,
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| 84 | .4218, .4218, .6393,-.4861,-.5031, .3564,
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| 85 | #+arg+ 26
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| 86 | n h1 h2 h3 ca ha cb hb1 hb2 cg
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| 87 | hg1 hg2 cd hd1 hd2 ne he cz nh1 hh11
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| 88 | hh12 nh2 hh21 hh22 c o
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| 89 | -.9335, .4801, .4801, .4801, .3013, .0974,-.1167, .0750, .0750,-.1343,
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| 90 | .0726, .0726,-.1268, .0766, .0766,-.0177, .2348, .3120,-.6243, .4220,
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| 91 | .4220,-.6243, .4220, .4220, .5961,-.5507,
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| 92 | #-arg+ 25
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| 93 | n h ca ha cb hb1 hb2 cg hg1 hg2
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| 94 | cd hd1 hd2 ne he cz nh1 hh11 hh12 nh2
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| 95 | hh21 hh22 c o oxt
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| 96 | -.2140, .2028,-.0209, .0732,-.1404, .0718, .0718,-.1376, .0721, .0721,
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| 97 | -.1274, .0765, .0765,-.0177, .2347, .3119,-.6246, .4218, .4218,-.6246,
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| 98 | .4218, .4218, .6336,-.8335,-.8335,
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| 99 | #nasn 15
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| 100 | n h1 h2 ca ha cb hb1 hb2 cg od1
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| 101 | nd2 hd21 hd22 c o
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| 102 | -.6658, .2887, .2887,-.0356, .0796,-.1392, .0719, .0719, .5728,-.5822,
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| 103 | -.5537, .2859, .2859, .5772,-.5563,
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| 104 | #casn 16
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| 105 | n h ca ha cb hb1 hb2 cg od1 nd2
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| 106 | hd21 hd22 c o oxt hxt
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| 107 | -.2149, .2025,-.0576, .0720,-.1466, .0709, .0709, .5716,-.5826,-.5539,
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| 108 | .2858, .2858, .6391,-.4861,-.5031, .3564,
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| 109 | #+asn 16
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| 110 | n h1 h2 h3 ca ha cb hb1 hb2 cg
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| 111 | od1 nd2 hd21 hd22 c o
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| 112 | -.9337, .4801, .4801, .4801, .3007, .0974,-.1218, .0743, .0743, .5756,
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| 113 | -.5813,-.5534, .2861, .2861, .5961,-.5507,
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| 114 | #-asn 15
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| 115 | n h ca ha cb hb1 hb2 cg od1 nd2
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| 116 | hd21 hd22 c o oxt
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| 117 | -.2144, .2028,-.0212, .0731,-.1455, .0711, .0711, .5718,-.5826,-.5539,
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| 118 | .2858, .2858, .6331,-.8335,-.8335,
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| 119 | #nasp 14
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| 120 | n h1 h2 ca ha cb hb1 hb2 cg od1
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| 121 | od2 hd2 c o
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| 122 | -.6658, .2887, .2887,-.0354, .0797,-.1380, .0721, .0721, .6393,-.4860,
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| 123 | -.5030, .3565, .5772,-.5563,
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| 124 | #casp 15
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| 125 | n h ca ha cb hb1 hb2 cg od1 od2
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| 126 | hd2 c o oxt hxt
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| 127 | -.2148, .2025,-.0575, .0720,-.1455, .0711, .0711, .6381,-.4864,-.5032,
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| 128 | .3564, .6392,-.4861,-.5031, .3564,
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| 129 | #+asp 15
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| 130 | n h1 h2 h3 ca ha cb hb1 hb2 cg
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| 131 | od1 od2 hd2 c o
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| 132 | -.9336, .4801, .4801, .4801, .3009, .0974,-.1206, .0744, .0744, .6422,
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| 133 | -.4851,-.5025, .3567, .5962,-.5507,
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| 134 | #-asp 14
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| 135 | n h ca ha cb hb1 hb2 cg od1 od2
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| 136 | hd2 c o oxt
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| 137 | -.2141, .2028,-.0212, .0732,-.1444, .0712, .0712, .6383,-.4864,-.5032,
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| 138 | .3564, .6332,-.8335,-.8335,
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| 139 | #nasp- 13
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| 140 | n h1 h2 ca ha cb hb1 hb2 cg od1
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| 141 | od2 c o
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| 142 | -.6656, .2887, .2887,-.0340, .0798,-.1038, .0734, .0734, .6347,-.8333,
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| 143 | -.8333, .5773,-.5562,
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| 144 | #casp- 14
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| 145 | n h ca ha cb hb1 hb2 cg od1 od2
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| 146 | c o oxt hxt
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| 147 | -.2146, .2026,-.0561, .0722,-.1063, .0724, .0724, .6285,-.8337,-.8337,
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| 148 | .6393,-.4861,-.5031, .3564,
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| 149 | #+asp- 14
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| 150 | n h1 h2 h3 ca ha cb hb1 hb2 cg
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| 151 | od1 od2 c o
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| 152 | -.9335, .4802, .4802, .4802, .3021, .0976,-.0980, .0757, .0757, .6491,
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| 153 | -.8325,-.8325, .5963,-.5506,
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| 154 | #-asp- 13
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| 155 | n h ca ha cb hb1 hb2 cg od1 od2
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| 156 | c o oxt
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| 157 | -.2142, .2028,-.0205, .0733,-.1059, .0725, .0725, .6294,-.8336,-.8336,
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| 158 | .6341,-.8334,-.8334,
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| 159 | #ncys 12
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| 160 | n h1 h2 ca ha cb hb1 hb2 sg hg
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| 161 | c o
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| 162 | -.6655, .2889, .2889,-.0311, .0801,-.1233, .0761, .0761,-.1533, .1311,
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| 163 | .5778,-.5560,
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| 164 | #ccys 13
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| 165 | n h ca ha cb hb1 hb2 sg hg c
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| 166 | o oxt hxt
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| 167 | -.2146, .2026,-.0531, .0725,-.1314, .0751, .0751,-.1541, .1310, .6397,
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| 168 | -.4860,-.5030, .3564,
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| 169 | #+cys 13
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| 170 | n h1 h2 h3 ca ha cb hb1 hb2 sg
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| 171 | hg c o
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| 172 | -.9330, .4804, .4804, .4804, .3047, .0979,-.1045, .0786, .0786,-.1516,
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| 173 | .1316, .5969,-.5504,
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| 174 | #-cys 12
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| 175 | n h ca ha cb hb1 hb2 sg hg c
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| 176 | o oxt
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| 177 | -.2141, .2029,-.0191, .0736,-.1302, .0752, .0752,-.1540, .1310, .6361,
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| 178 | -.8333,-.8333,
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| 179 | #ncyss 11
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| 180 | n h1 h2 ca ha cb hb1 hb2 sg c
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| 181 | o
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| 182 | -.6655, .2889, .2889,-.0311, .0801,-.0857, .0994, .0994,-.1064, .5778,
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| 183 | -.5560,
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| 184 | #ccyss 12
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| 185 | n h ca ha cb hb1 hb2 sg c o
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| 186 | oxt hxt
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| 187 | -.2146, .2026,-.0531, .0725,-.0919, .0977, .0977,-.1078, .6397,-.4860,
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| 188 | -.5030, .3564,
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| 189 | #+cyss 12
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| 190 | n h1 h2 h3 ca ha cb hb1 hb2 sg
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| 191 | c o
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| 192 | -.9330, .4804, .4804, .4804, .3047, .0979,-.0712, .1036, .1036,-.1033,
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| 193 | .5969,-.5504,
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| 194 | #-cyss 11
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| 195 | n h ca ha cb hb1 hb2 sg c o
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| 196 | oxt
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| 197 | -.2141, .2029,-.0191, .0736,-.0910, .0979, .0979,-.1076, .6361,-.8333,
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| 198 | -.8333,
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| 199 | #ngln 18
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| 200 | n h1 h2 ca ha cb hb1 hb2 cg hg1
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| 201 | hg2 cd oe1 ne2 he21 he22 c o
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| 202 | -.6658, .2887, .2887,-.0350, .0797,-.1353, .0725, .0725,-.1462, .0710,
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| 203 | .0710, .5718,-.5825,-.5538, .2858, .2858, .5772,-.5563,
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| 204 | #cgln 19
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| 205 | n h ca ha cb hb1 hb2 cg hg1 hg2
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| 206 | cd oe1 ne2 he21 he22 c o oxt hxt
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| 207 | -.2148, .2025,-.0569, .0721,-.1428, .0714, .0714,-.1472, .0708, .0708,
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| 208 | .5715,-.5827,-.5539, .2858, .2858, .6392,-.4861,-.5031, .3564,
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| 209 | #+gln 19
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| 210 | n h1 h2 h3 ca ha cb hb1 hb2 cg
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| 211 | hg1 hg2 cd oe1 ne2 he21 he22 c o
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| 212 | -.9333, .4801, .4801, .4801, .3012, .0974,-.1178, .0748, .0748,-.1438,
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| 213 | .0713, .0713, .5723,-.5822,-.5536, .2859, .2859, .5962,-.5507,
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| 214 | #-gln 18
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| 215 | n h ca ha cb hb1 hb2 cg hg1 hg2
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| 216 | cd oe1 ne2 he21 he22 c o oxt
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| 217 | -.2143, .2028,-.0210, .0732,-.1417, .0716, .0716,-.1471, .0709, .0709,
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| 218 | .5715,-.5826,-.5539, .2858, .2858, .6335,-.8335,-.8335,
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| 219 | #nglu 17
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| 220 | n h1 h2 ca ha cb hb1 hb2 cg hg1
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| 221 | hg2 cd oe1 oe2 he2 c o
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| 222 | -.6658, .2888, .2888,-.0350, .0797,-.1352, .0725, .0725,-.1450, .0711,
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| 223 | .0711, .6383,-.4863,-.5031, .3565, .5772,-.5563,
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| 224 | #cglu 18
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| 225 | n h ca ha cb hb1 hb2 cg hg1 hg2
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| 226 | cd oe1 oe2 he2 c o oxt hxt
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| 227 | -.2148, .2025,-.0571, .0721,-.1427, .0715, .0715,-.1460, .0710, .0710,
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| 228 | .6381,-.4865,-.5032, .3564, .6392,-.4861,-.5031, .3564,
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| 229 | #+glu 18
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| 230 | n h1 h2 h3 ca ha cb hb1 hb2 cg
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| 231 | hg1 hg2 cd oe1 oe2 he2 c o
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| 232 | -.9337, .4802, .4802, .4802, .3013, .0975,-.1177, .0748, .0748,-.1426,
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| 233 | .0714, .0714, .6389,-.4860,-.5028, .3566, .5962,-.5507,
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| 234 | #-glu 17
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| 235 | n h ca ha cb hb1 hb2 cg hg1 hg2
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| 236 | cd oe1 oe2 he2 c o oxt
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| 237 | -.2141, .2028,-.0210, .0732,-.1416, .0716, .0716,-.1459, .0710, .0710,
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| 238 | .6381,-.4864,-.5032, .3564, .6335,-.8335,-.8335,
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| 239 | #nglu- 16
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| 240 | n h1 h2 ca ha cb hb1 hb2 cg hg1
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| 241 | hg2 cd oe1 oe2 c o
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| 242 | -.6657, .2887, .2887,-.0348, .0797,-.1339, .0727, .0727,-.1061, .0724,
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| 243 | .0724, .6290,-.8335,-.8335, .5773,-.5563,
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| 244 | #cglu- 17
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| 245 | n h ca ha cb hb1 hb2 cg hg1 hg2
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| 246 | cd oe1 oe2 c o oxt hxt
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|---|
| 247 | -.2148, .2025,-.0569, .0721,-.1414, .0716, .0716,-.1064, .0723, .0723,
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| 248 | .6281,-.8336,-.8336, .6392,-.4861,-.5031, .3564,
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| 249 | #+glu- 17
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| 250 | n h1 h2 h3 ca ha cb hb1 hb2 cg
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| 251 | hg1 hg2 cd oe1 oe2 c o
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| 252 | -.9335, .4802, .4802, .4802, .3014, .0975,-.1164, .0750, .0750,-.1053,
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| 253 | .0727, .0727, .6311,-.8332,-.8332, .5962,-.5506,
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| 254 | #-glu- 16
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| 255 | n h ca ha cb hb1 hb2 cg hg1 hg2
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| 256 | cd oe1 oe2 c o oxt
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| 257 | -.2144, .2028,-.0209, .0732,-.1403, .0718, .0718,-.1064, .0723, .0723,
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| 258 | .6282,-.8336,-.8336, .6336,-.8334,-.8334,
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| 259 | #ngly 8
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| 260 | n h1 h2 ca ha1 ha2 c o
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| 261 | -.6644, .2896, .2896,-.1163, .0828, .0828, .5808,-.5551,
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| 262 | #cgly 9
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| 263 | n h ca ha1 ha2 c o oxt hxt
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| 264 | -.2139, .2030,-.1370, .0741, .0741, .6415,-.4854,-.5028, .3566,
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| 265 | #+gly 9
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| 266 | n h1 h2 h3 ca ha1 ha2 c o
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| 267 | -.9262, .4817, .4817, .4817, .2107, .1032, .1032, .6026,-.5486,
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| 268 | #-gly 8
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| 269 | n h ca ha1 ha2 c o oxt
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| 270 | -.2131, .2034,-.1120, .0754, .0754, .6467,-.8329,-.8329,
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| 271 | #nhisd 18
|
|---|
| 272 | n h1 h2 ca ha cb hb1 hb2 cg nd1
|
|---|
| 273 | hd1 ce1 he1 ne2 cd2 hd2 c o
|
|---|
| 274 | -.6665, .2883, .2883,-.0519, .0779, .0004, .0569, .0569,-.0488,-.1875,
|
|---|
| 275 | .2499, .0520, .1460,-.3697,-.0653, .1444, .5753,-.5568,
|
|---|
| 276 | #chisd 19
|
|---|
| 277 | n h ca ha cb hb1 hb2 cg nd1 hd1
|
|---|
| 278 | ce1 he1 ne2 cd2 hd2 c o oxt hxt
|
|---|
| 279 | -.2159, .2021,-.0739, .0702,-.0070, .0559, .0559,-.0501,-.1876, .2498,
|
|---|
| 280 | .0520, .1460,-.3698,-.0654, .1443, .6373,-.4867,-.5033, .3564,
|
|---|
| 281 | #+hisd 19
|
|---|
| 282 | n h1 h2 h3 ca ha cb hb1 hb2 cg
|
|---|
| 283 | nd1 hd1 ce1 he1 ne2 cd2 hd2 c o
|
|---|
| 284 | -.9355, .4797, .4797, .4797, .2863, .0957, .0177, .0592, .0592,-.0458,
|
|---|
| 285 | -.1872, .2501, .0521, .1461,-.3696,-.0652, .1445, .5944,-.5511,
|
|---|
| 286 | #-hisd 18
|
|---|
| 287 | n h ca ha cb hb1 hb2 cg nd1 hd1
|
|---|
| 288 | ce1 he1 ne2 cd2 hd2 c o oxt
|
|---|
| 289 | -.2154, .2024,-.0288, .0714,-.0059, .0560, .0560,-.0499,-.1876, .2498,
|
|---|
| 290 | .0520, .1460,-.3698,-.0654, .1443, .6227,-.8339,-.8339,
|
|---|
| 291 | #nhise 18
|
|---|
| 292 | n h1 h2 ca ha cb hb1 hb2 cg nd1
|
|---|
| 293 | ce1 he1 ne2 he2 cd2 hd2 c o
|
|---|
| 294 | -.6665, .2884, .2884,-.0507, .0780, .0082, .0579, .0579, .0138,-.3789,
|
|---|
| 295 | .0520, .1460,-.1815, .2516,-.1270, .1336, .5754,-.5568,
|
|---|
| 296 | #chise 19
|
|---|
| 297 | n h ca ha cb hb1 hb2 cg nd1 ce1
|
|---|
| 298 | he1 ne2 he2 cd2 hd2 c o oxt hxt
|
|---|
| 299 | -.2160, .2021,-.0727, .0704, .0007, .0569, .0569, .0125,-.3791, .0520,
|
|---|
| 300 | .1460,-.1816, .2515,-.1270, .1336, .6374,-.4866,-.5032, .3564,
|
|---|
| 301 | #+hise 19
|
|---|
| 302 | n h1 h2 h3 ca ha cb hb1 hb2 cg
|
|---|
| 303 | nd1 ce1 he1 ne2 he2 cd2 hd2 c o
|
|---|
| 304 | -.9355, .4798, .4798, .4798, .2873, .0958, .0255, .0603, .0603, .0168,
|
|---|
| 305 | -.3785, .0520, .1461,-.1814, .2517,-.1267, .1337, .5944,-.5512,
|
|---|
| 306 | #-hise 18
|
|---|
| 307 | n h ca ha cb hb1 hb2 cg nd1 ce1
|
|---|
| 308 | he1 ne2 he2 cd2 hd2 c o oxt
|
|---|
| 309 | -.2152, .2024,-.0283, .0715, .0018, .0571, .0571, .0126,-.3791, .0520,
|
|---|
| 310 | .1460,-.1816, .2515,-.1270, .1336, .6234,-.8339,-.8339,
|
|---|
| 311 | #nhis+ 19
|
|---|
| 312 | n h1 h2 ca ha cb hb1 hb2 cg nd1
|
|---|
| 313 | hd1 ce1 he1 ne2 he2 cd2 hd2 c o
|
|---|
| 314 | -.6661, .2886, .2886,-.0422, .0789, .0662, .0658, .0658, .0695,-.0973,
|
|---|
| 315 | .3952,-.2899, .2357,-.0749, .3977,-.0349, .2232, .5764,-.5565,
|
|---|
| 316 | #chis+ 20
|
|---|
| 317 | n h ca ha cb hb1 hb2 cg nd1 hd1
|
|---|
| 318 | ce1 he1 ne2 he2 cd2 hd2 c o oxt hxt
|
|---|
| 319 | -.2154, .2023,-.0642, .0713, .0588, .0648, .0648, .0682,-.0974, .3951,
|
|---|
| 320 | -.2900, .2357,-.0749, .3976,-.0350, .2232, .6384,-.4864,-.5031, .3564,
|
|---|
| 321 | #+his+ 20
|
|---|
| 322 | n h1 h2 h3 ca ha cb hb1 hb2 cg
|
|---|
| 323 | nd1 hd1 ce1 he1 ne2 he2 cd2 hd2 c o
|
|---|
| 324 | -.9343, .4800, .4800, .4800, .2949, .0967, .0835, .0682, .0682, .0723,
|
|---|
| 325 | -.0968, .3953,-.2897, .2358,-.0749, .3978,-.0348, .2233, .5954,-.5509,
|
|---|
| 326 | #-his+ 19
|
|---|
| 327 | n h ca ha cb hb1 hb2 cg nd1 hd1
|
|---|
| 328 | ce1 he1 ne2 he2 cd2 hd2 c o oxt
|
|---|
| 329 | -.2150, .2026,-.0243, .0724, .0599, .0650, .0650, .0684,-.0974, .3951,
|
|---|
| 330 | -.2900, .2357,-.0749, .3976,-.0350, .2232, .6289,-.8336,-.8336,
|
|---|
| 331 | #nhyp 16
|
|---|
| 332 | n h ca ha cb hb1 hb2 cg hg od1
|
|---|
| 333 | hd1 cd2 hd21 hd22 c o
|
|---|
| 334 | -.2514, .2064,-.0638, .0715,-.1318, .0729, .0729, .0389, .0828,-.5090,
|
|---|
| 335 | .3597,-.1212, .0762, .0762, .5684,-.5589,
|
|---|
| 336 | #chyp 17
|
|---|
| 337 | n ca ha cb hb1 hb2 cg hg od1 hd1
|
|---|
| 338 | cd2 hd21 hd22 c o oxt hxt
|
|---|
| 339 | -.0191,-.0571, .0717,-.1318, .0729, .0729, .0381, .0827,-.5098, .3592,
|
|---|
| 340 | -.1237, .0753, .0753, .6381,-.4868,-.5036, .3559,
|
|---|
| 341 | #+hyp 17
|
|---|
| 342 | n h1 h2 ca ha cb hb1 hb2 cg hg
|
|---|
| 343 | od1 hd1 cd2 hd21 hd22 c o
|
|---|
| 344 | -.6683, .4235, .4235, .2463, .0933,-.1076, .0762, .0762, .0673, .0862,
|
|---|
| 345 | -.5050, .3607, .1753, .1012, .1012, .5919,-.5519,
|
|---|
| 346 | #-hyp 16
|
|---|
| 347 | n ca ha cb hb1 hb2 cg hg od1 hd1
|
|---|
| 348 | cd2 hd21 hd22 c o oxt
|
|---|
| 349 | -.0184,-.0196, .0728,-.1307, .0730, .0730, .0383, .0827,-.5097, .3593,
|
|---|
| 350 | -.1236, .0754, .0754, .6311,-.8345,-.8345,
|
|---|
| 351 | #nile 20
|
|---|
| 352 | n h1 h2 ca ha cb hb cg2 hg21 hg22
|
|---|
| 353 | hg23 cg1 hg11 hg12 cd1 hd11 hd12 hd13 c o
|
|---|
| 354 | -.6658, .2887, .2887,-.0366, .0795,-.0513, .0710,-.2250, .0736, .0736,
|
|---|
| 355 | .0736,-.1411, .0717, .0717,-.2244, .0737, .0737, .0737, .5771,-.5563,
|
|---|
| 356 | #cile 21
|
|---|
| 357 | n h ca ha cb hb cg2 hg21 hg22 hg23
|
|---|
| 358 | cg1 hg11 hg12 cd1 hd11 hd12 hd13 c o oxt
|
|---|
| 359 | hxt
|
|---|
| 360 | -.2151, .2025,-.0585, .0719,-.0591, .0701,-.2259, .0735, .0735, .0735,
|
|---|
| 361 | -.1420, .0716, .0716,-.2246, .0737, .0737, .0737, .6390,-.4862,-.5031,
|
|---|
| 362 | .3564,
|
|---|
| 363 | #+ile 21
|
|---|
| 364 | n h1 h2 h3 ca ha cb hb cg2 hg21
|
|---|
| 365 | hg22 hg23 cg1 hg11 hg12 cd1 hd11 hd12 hd13 c
|
|---|
| 366 | o
|
|---|
| 367 | -.9340, .4801, .4801, .4801, .2996, .0973,-.0334, .0732,-.2230, .0740,
|
|---|
| 368 | .0740, .0740,-.1389, .0720, .0720,-.2240, .0738, .0738, .0738, .5961,
|
|---|
| 369 | -.5506,
|
|---|
| 370 | #-ile 20
|
|---|
| 371 | n h ca ha cb hb cg2 hg21 hg22 hg23
|
|---|
| 372 | cg1 hg11 hg12 cd1 hd11 hd12 hd13 c o oxt
|
|---|
| 373 | -.2145, .2028,-.0217, .0730,-.0580, .0702,-.2258, .0735, .0735, .0735,
|
|---|
| 374 | -.1418, .0716, .0716,-.2246, .0737, .0737, .0737, .6326,-.8335,-.8335,
|
|---|
| 375 | #nleu 20
|
|---|
| 376 | n h1 h2 ca ha cb hb1 hb2 cg hg
|
|---|
| 377 | cd1 hd11 hd12 hd13 cd2 hd21 hd22 hd23 c o
|
|---|
| 378 | -.6657, .2888, .2888,-.0351, .0797,-.1359, .0724, .0724,-.0567, .0704,
|
|---|
| 379 | -.2256, .0735, .0735, .0735,-.2256, .0735, .0735, .0735, .5772,-.5563,
|
|---|
| 380 | #cleu 21
|
|---|
| 381 | n h ca ha cb hb1 hb2 cg hg cd1
|
|---|
| 382 | hd11 hd12 hd13 cd2 hd21 hd22 hd23 c o oxt
|
|---|
| 383 | hxt
|
|---|
| 384 | -.2150, .2025,-.0572, .0721,-.1434, .0714, .0714,-.0577, .0703,-.2258,
|
|---|
| 385 | .0735, .0735, .0735,-.2258, .0735, .0735, .0735, .6392,-.4861,-.5031,
|
|---|
| 386 | .3564,
|
|---|
| 387 | #+leu 21
|
|---|
| 388 | n h1 h2 h3 ca ha cb hb1 hb2 cg
|
|---|
| 389 | hg cd1 hd11 hd12 hd13 cd2 hd21 hd22 hd23 c
|
|---|
| 390 | o
|
|---|
| 391 | -.9338, .4802, .4802, .4802, .3012, .0975,-.1185, .0748, .0748,-.0543,
|
|---|
| 392 | .0708,-.2252, .0736, .0736, .0736,-.2252, .0736, .0736, .0736, .5963,
|
|---|
| 393 | -.5506,
|
|---|
| 394 | #-leu 20
|
|---|
| 395 | n h ca ha cb hb1 hb2 cg hg cd1
|
|---|
| 396 | hd11 hd12 hd13 cd2 hd21 hd22 hd23 c o oxt
|
|---|
| 397 | -.2142, .2028,-.0210, .0732,-.1423, .0715, .0715,-.0576, .0703,-.2258,
|
|---|
| 398 | .0735, .0735, .0735,-.2258, .0735, .0735, .0735, .6334,-.8335,-.8335,
|
|---|
| 399 | #nlys 22
|
|---|
| 400 | n h1 h2 ca ha cb hb1 hb2 cg hg1
|
|---|
| 401 | hg2 cd hd1 hd2 ce he1 he2 nz hz1 hz2
|
|---|
| 402 | c o
|
|---|
| 403 | -.6657, .2888, .2888,-.0349, .0797,-.1345, .0726, .0726,-.1400, .0718,
|
|---|
| 404 | .0718,-.1299, .0732, .0732,-.1033, .0845, .0845,-.6639, .2898, .2898,
|
|---|
| 405 | .5772,-.5563,
|
|---|
| 406 | #clys 23
|
|---|
| 407 | n h ca ha cb hb1 hb2 cg hg1 hg2
|
|---|
| 408 | cd hd1 hd2 ce he1 he2 nz hz1 hz2 c
|
|---|
| 409 | o oxt hxt
|
|---|
| 410 | -.2148, .2025,-.0570, .0721,-.1420, .0715, .0715,-.1411, .0717, .0717,
|
|---|
| 411 | -.1300, .0732, .0732,-.1033, .0845, .0845,-.6639, .2897, .2897, .6393,
|
|---|
| 412 | -.4861,-.5031, .3564,
|
|---|
| 413 | #+lys 23
|
|---|
| 414 | n h1 h2 h3 ca ha cb hb1 hb2 cg
|
|---|
| 415 | hg1 hg2 cd hd1 hd2 ce he1 he2 nz hz1
|
|---|
| 416 | hz2 c o
|
|---|
| 417 | -.9334, .4802, .4802, .4802, .3013, .0975,-.1170, .0749, .0749,-.1376,
|
|---|
| 418 | .0721, .0721,-.1295, .0732, .0732,-.1032, .0845, .0845,-.6636, .2899,
|
|---|
| 419 | .2899, .5963,-.5506,
|
|---|
| 420 | #-lys 22
|
|---|
| 421 | n h ca ha cb hb1 hb2 cg hg1 hg2
|
|---|
| 422 | cd hd1 hd2 ce he1 he2 nz hz1 hz2 c
|
|---|
| 423 | o oxt
|
|---|
| 424 | -.2142, .2028,-.0209, .0732,-.1409, .0717, .0717,-.1409, .0717, .0717,
|
|---|
| 425 | -.1300, .0732, .0732,-.1033, .0845, .0845,-.6640, .2897, .2897, .6336,
|
|---|
| 426 | -.8335,-.8335,
|
|---|
| 427 | #nlys+ 23
|
|---|
| 428 | n h1 h2 ca ha cb hb1 hb2 cg hg1
|
|---|
| 429 | hg2 cd hd1 hd2 ce he1 he2 nz hz1 hz2
|
|---|
| 430 | hz3 c o
|
|---|
| 431 | -.6657, .2887, .2887,-.0349, .0797,-.1341, .0726, .0726,-.1374, .0722,
|
|---|
| 432 | .0722,-.1099, .0759, .0759, .2225, .1049, .1049,-.9251, .4817, .4817,
|
|---|
| 433 | .4817, .5773,-.5563,
|
|---|
| 434 | #clys+ 24
|
|---|
| 435 | n h ca ha cb hb1 hb2 cg hg1 hg2
|
|---|
| 436 | cd hd1 hd2 ce he1 he2 nz hz1 hz2 hz3
|
|---|
| 437 | c o oxt hxt
|
|---|
| 438 | -.2147, .2025,-.0569, .0721,-.1416, .0716, .0716,-.1384, .0720, .0720,
|
|---|
| 439 | -.1100, .0759, .0759, .2225, .1049, .1049,-.9253, .4816, .4816, .4816,
|
|---|
| 440 | .6392,-.4861,-.5031, .3564,
|
|---|
| 441 | #+lys+ 24
|
|---|
| 442 | n h1 h2 h3 ca ha cb hb1 hb2 cg
|
|---|
| 443 | hg1 hg2 cd hd1 hd2 ce he1 he2 nz hz1
|
|---|
| 444 | hz2 hz3 c o
|
|---|
| 445 | -.9332, .4801, .4801, .4801, .3013, .0974,-.1167, .0750, .0750,-.1349,
|
|---|
| 446 | .0725, .0725,-.1096, .0760, .0760, .2226, .1049, .1049,-.9249, .4818,
|
|---|
| 447 | .4818, .4818, .5962,-.5507,
|
|---|
| 448 | #-lys+ 23
|
|---|
| 449 | n h ca ha cb hb1 hb2 cg hg1 hg2
|
|---|
| 450 | cd hd1 hd2 ce he1 he2 nz hz1 hz2 hz3
|
|---|
| 451 | c o oxt
|
|---|
| 452 | -.2142, .2028,-.0209, .0732,-.1405, .0717, .0717,-.1382, .0721, .0721,
|
|---|
| 453 | -.1100, .0759, .0759, .2225, .1049, .1049,-.9253, .4816, .4816, .4816,
|
|---|
| 454 | .6336,-.8335,-.8335,
|
|---|
| 455 | #nmet 18
|
|---|
| 456 | n h1 h2 ca ha cb hb1 hb2 cg hg1
|
|---|
| 457 | hg2 sd ce he1 he2 he3 c o
|
|---|
| 458 | -.6656, .2888, .2888,-.0346, .0797,-.1323, .0729, .0729,-.1341, .0741,
|
|---|
| 459 | .0741,-.0295,-.2162, .0766, .0766, .0766, .5773,-.5563,
|
|---|
| 460 | #cmet 19
|
|---|
| 461 | n h ca ha cb hb1 hb2 cg hg1 hg2
|
|---|
| 462 | sd ce he1 he2 he3 c o oxt hxt
|
|---|
| 463 | -.2148, .2025,-.0566, .0721,-.1398, .0718, .0718,-.1352, .0739, .0739,
|
|---|
| 464 | -.0296,-.2162, .0766, .0766, .0766, .6394,-.4861,-.5031, .3564,
|
|---|
| 465 | #+met 19
|
|---|
| 466 | n h1 h2 h3 ca ha cb hb1 hb2 cg
|
|---|
| 467 | hg1 hg2 sd ce he1 he2 he3 c o
|
|---|
| 468 | -.9336, .4802, .4802, .4802, .3016, .0975,-.1148, .0753, .0753,-.1315,
|
|---|
| 469 | .0745, .0745,-.0292,-.2161, .0767, .0767, .0767, .5963,-.5505,
|
|---|
| 470 | #-met 18
|
|---|
| 471 | n h ca ha cb hb1 hb2 cg hg1 hg2
|
|---|
| 472 | sd ce he1 he2 he3 c o oxt
|
|---|
| 473 | -.2142, .2028,-.0208, .0732,-.1387, .0720, .0720,-.1351, .0740, .0740,
|
|---|
| 474 | -.0296,-.2162, .0766, .0766, .0766, .6338,-.8335,-.8335,
|
|---|
| 475 | #nphe 21
|
|---|
| 476 | n h1 h2 ca ha cb hb1 hb2 cg cd1
|
|---|
| 477 | hd1 ce1 he1 cz hz ce2 he2 cd2 hd2 c
|
|---|
| 478 | o
|
|---|
| 479 | -.6663, .2883, .2883,-.0521, .0779,-.0014, .0566, .0566,-.0628,-.1374,
|
|---|
| 480 | .1313,-.1329, .1322,-.1325, .1323,-.1329, .1322,-.1374, .1313, .5753,
|
|---|
| 481 | -.5568,
|
|---|
| 482 | #cphe 22
|
|---|
| 483 | n h ca ha cb hb1 hb2 cg cd1 hd1
|
|---|
| 484 | ce1 he1 cz hz ce2 he2 cd2 hd2 c o
|
|---|
| 485 | oxt hxt
|
|---|
| 486 | -.2161, .2021,-.0741, .0702,-.0088, .0556, .0556,-.0641,-.1374, .1313,
|
|---|
| 487 | -.1329, .1322,-.1325, .1323,-.1329, .1322,-.1374, .1313, .6372,-.4867,
|
|---|
| 488 | -.5033, .3564,
|
|---|
| 489 | #+phe 22
|
|---|
| 490 | n h1 h2 h3 ca ha cb hb1 hb2 cg
|
|---|
| 491 | cd1 hd1 ce1 he1 cz hz ce2 he2 cd2 hd2
|
|---|
| 492 | c o
|
|---|
| 493 | -.9357, .4797, .4797, .4797, .2860, .0956, .0159, .0590, .0590,-.0597,
|
|---|
| 494 | -.1371, .1314,-.1328, .1323,-.1324, .1324,-.1328, .1323,-.1371, .1314,
|
|---|
| 495 | .5943,-.5511,
|
|---|
| 496 | #-phe 21
|
|---|
| 497 | n h ca ha cb hb1 hb2 cg cd1 hd1
|
|---|
| 498 | ce1 he1 cz hz ce2 he2 cd2 hd2 c o
|
|---|
| 499 | oxt
|
|---|
| 500 | -.2154, .2024,-.0290, .0714,-.0077, .0558, .0558,-.0639,-.1374, .1313,
|
|---|
| 501 | -.1329, .1322,-.1325, .1323,-.1329, .1322,-.1374, .1313, .6224,-.8340,
|
|---|
| 502 | -.8340,
|
|---|
| 503 | #npro 15
|
|---|
| 504 | n h ca ha cb hb1 hb2 cg hg1 hg2
|
|---|
| 505 | cd hd1 hd2 c o
|
|---|
| 506 | -.2523, .2060,-.0655, .0713,-.1426, .0715, .0715,-.1396, .0719, .0719,
|
|---|
| 507 | -.1329, .0747, .0747, .5682,-.5590,
|
|---|
| 508 | #cpro 16
|
|---|
| 509 | n ca ha cb hb1 hb2 cg hg1 hg2 cd
|
|---|
| 510 | hd1 hd2 c o oxt hxt
|
|---|
| 511 | -.0203,-.0589, .0714,-.1426, .0714, .0714,-.1405, .0717, .0717,-.1353,
|
|---|
| 512 | .0739, .0739, .6376,-.4871,-.5039, .3558,
|
|---|
| 513 | #+pro 16
|
|---|
| 514 | n h1 h2 ca ha cb hb1 hb2 cg hg1
|
|---|
| 515 | hg2 cd hd1 hd2 c o
|
|---|
| 516 | -.6702, .4232, .4232, .2446, .0931,-.1179, .0749, .0749,-.1122, .0757,
|
|---|
| 517 | .0757, .1656, .0998, .0998, .5917,-.5519,
|
|---|
| 518 | #-pro 15
|
|---|
| 519 | n ca ha cb hb1 hb2 cg hg1 hg2 cd
|
|---|
| 520 | hd1 hd2 c o oxt
|
|---|
| 521 | -.0195,-.0203, .0726,-.1414, .0715, .0715,-.1404, .0717, .0717,-.1353,
|
|---|
| 522 | .0739, .0739, .6299,-.8349,-.8349,
|
|---|
| 523 | #nprom 15
|
|---|
| 524 | n h ca ha cb hb1 hb2 cg hg1 hg2
|
|---|
| 525 | cd hd1 hd2 c o
|
|---|
| 526 | -.2523, .2060,-.0655, .0713,-.1426, .0715, .0715,-.1396, .0719, .0719,
|
|---|
| 527 | -.1329, .0747, .0747, .5682,-.5590,
|
|---|
| 528 | #cprom 16
|
|---|
| 529 | n ca ha cb hb1 hb2 cg hg1 hg2 cd
|
|---|
| 530 | hd1 hd2 c o oxt hxt
|
|---|
| 531 | -.0203,-.0589, .0714,-.1426, .0714, .0714,-.1405, .0717, .0717,-.1353,
|
|---|
| 532 | .0739, .0739, .6376,-.4871,-.5039, .3558,
|
|---|
| 533 | #+prom 16
|
|---|
| 534 | n h1 h2 ca ha cb hb1 hb2 cg hg1
|
|---|
| 535 | hg2 cd hd1 hd2 c o
|
|---|
| 536 | -.6702, .4232, .4232, .2446, .0931,-.1179, .0749, .0749,-.1122, .0757,
|
|---|
| 537 | .0757, .1656, .0998, .0998, .5917,-.5519,
|
|---|
| 538 | #-prom 15
|
|---|
| 539 | n ca ha cb hb1 hb2 cg hg1 hg2 cd
|
|---|
| 540 | hd1 hd2 c o oxt
|
|---|
| 541 | -.0195,-.0203, .0726,-.1414, .0715, .0715,-.1404, .0717, .0717,-.1353,
|
|---|
| 542 | .0739, .0739, .6299,-.8349,-.8349,
|
|---|
| 543 | #nser 12
|
|---|
| 544 | n h1 h2 ca ha cb hb1 hb2 og hg
|
|---|
| 545 | c o
|
|---|
| 546 | -.6648, .2891, .2891,-.0193, .0814,-.0401, .0871, .0871,-.5040, .3608,
|
|---|
| 547 | .5791,-.5557,
|
|---|
| 548 | #cser 13
|
|---|
| 549 | n h ca ha cb hb1 hb2 og hg c
|
|---|
| 550 | o oxt hxt
|
|---|
| 551 | -.2139, .2030,-.0413, .0738,-.0477, .0861, .0861,-.5054, .3605, .6410,
|
|---|
| 552 | -.4856,-.5029, .3565,
|
|---|
| 553 | #+ser 13
|
|---|
| 554 | n h1 h2 h3 ca ha cb hb1 hb2 og
|
|---|
| 555 | hg c o
|
|---|
| 556 | -.9313, .4806, .4806, .4806, .3153, .0992,-.0225, .0895, .0895,-.5011,
|
|---|
| 557 | .3615, .5981,-.5500,
|
|---|
| 558 | #-ser 12
|
|---|
| 559 | n h ca ha cb hb1 hb2 og hg c
|
|---|
| 560 | o oxt
|
|---|
| 561 | -.2135, .2032,-.0136, .0749,-.0466, .0862, .0862,-.5051, .3606, .6437,
|
|---|
| 562 | -.8330,-.8330,
|
|---|
| 563 | #nthr 15
|
|---|
| 564 | n h1 h2 ca ha cb hb og1 hg1 cg2
|
|---|
| 565 | hg21 hg22 hg23 c o
|
|---|
| 566 | -.6651, .2891, .2891,-.0229, .0810, .0464, .0837,-.5079, .3600,-.2131,
|
|---|
| 567 | .0756, .0756, .0756, .5786,-.5559,
|
|---|
| 568 | #cthr 16
|
|---|
| 569 | n h ca ha cb hb og1 hg1 cg2 hg21
|
|---|
| 570 | hg22 hg23 c o oxt hxt
|
|---|
| 571 | -.2142, .2029,-.0448, .0734, .0385, .0828,-.5089, .3597,-.2140, .0754,
|
|---|
| 572 | .0754, .0754, .6407,-.4857,-.5028, .3564,
|
|---|
| 573 | #+thr 16
|
|---|
| 574 | n h1 h2 h3 ca ha cb hb og1 hg1
|
|---|
| 575 | cg2 hg21 hg22 hg23 c o
|
|---|
| 576 | -.9317, .4805, .4805, .4805, .3117, .0988, .0646, .0859,-.5054, .3606,
|
|---|
| 577 | -.2112, .0759, .0759, .0759, .5977,-.5502,
|
|---|
| 578 | #-thr 15
|
|---|
| 579 | n h ca ha cb hb og1 hg1 cg2 hg21
|
|---|
| 580 | hg22 hg23 c o oxt
|
|---|
| 581 | -.2137, .2031,-.0152, .0745, .0397, .0829,-.5089, .3598,-.2139, .0755,
|
|---|
| 582 | .0755, .0755, .6414,-.8331,-.8331,
|
|---|
| 583 | #ntrp 25
|
|---|
| 584 | n h1 h2 ca ha cb hb1 hb2 cg cd1
|
|---|
| 585 | hd1 ne1 he1 ce2 cz2 hz2 ch2 hh2 cz3 hz3
|
|---|
| 586 | ce3 he3 cd2 c o
|
|---|
| 587 | -.6663, .2882, .2882,-.0522, .0779,-.0015, .0566, .0566,-.1122,-.0997,
|
|---|
| 588 | .1320,-.2115, .2480, .0277,-.1497, .1321,-.1391, .1323,-.1437, .1323,
|
|---|
| 589 | -.1418, .1319,-.0148, .5753,-.5568,
|
|---|
| 590 | #ctrp 26
|
|---|
| 591 | n h ca ha cb hb1 hb2 cg cd1 hd1
|
|---|
| 592 | ne1 he1 ce2 cz2 hz2 ch2 hh2 cz3 hz3 ce3
|
|---|
| 593 | he3 cd2 c o oxt hxt
|
|---|
| 594 | -.2160, .2021,-.0742, .0702,-.0090, .0556, .0556,-.1135,-.0997, .1320,
|
|---|
| 595 | -.2115, .2480, .0277,-.1497, .1321,-.1391, .1323,-.1437, .1323,-.1419,
|
|---|
| 596 | .1319,-.0149, .6372,-.4867,-.5033, .3564,
|
|---|
| 597 | #+trp 26
|
|---|
| 598 | n h1 h2 h3 ca ha cb hb1 hb2 cg
|
|---|
| 599 | cd1 hd1 ne1 he1 ce2 cz2 hz2 ch2 hh2 cz3
|
|---|
| 600 | hz3 ce3 he3 cd2 c o
|
|---|
| 601 | -.9357, .4796, .4796, .4796, .2859, .0955, .0158, .0590, .0590,-.1090,
|
|---|
| 602 | -.0994, .1321,-.2114, .2481, .0278,-.1496, .1322,-.1390, .1324,-.1436,
|
|---|
| 603 | .1324,-.1417, .1320,-.0146, .5942,-.5512,
|
|---|
| 604 | #-trp 25
|
|---|
| 605 | n h ca ha cb hb1 hb2 cg cd1 hd1
|
|---|
| 606 | ne1 he1 ce2 cz2 hz2 ch2 hh2 cz3 hz3 ce3
|
|---|
| 607 | he3 cd2 c o oxt
|
|---|
| 608 | -.2154, .2024,-.0290, .0713,-.0079, .0557, .0557,-.1134,-.0997, .1320,
|
|---|
| 609 | -.2115, .2480, .0277,-.1497, .1321,-.1391, .1323,-.1437, .1323,-.1419,
|
|---|
| 610 | .1319,-.0148, .6225,-.8339,-.8339,
|
|---|
| 611 | #ntyr 22
|
|---|
| 612 | n h1 h2 ca ha cb hb1 hb2 cg cd1
|
|---|
| 613 | hd1 ce1 he1 cz oh hh ce2 he2 cd2 hd2
|
|---|
| 614 | c o
|
|---|
| 615 | -.6664, .2882, .2882,-.0521, .0779,-.0014, .0566, .0566,-.0627,-.1370,
|
|---|
| 616 | .1314,-.1296, .1330, .0813,-.4578, .3673,-.1296, .1330,-.1370, .1314,
|
|---|
| 617 | .5753,-.5568,
|
|---|
| 618 | #ctyr 23
|
|---|
| 619 | n h ca ha cb hb1 hb2 cg cd1 hd1
|
|---|
| 620 | ce1 he1 cz oh hh ce2 he2 cd2 hd2 c
|
|---|
| 621 | o oxt hxt
|
|---|
| 622 | -.2161, .2021,-.0741, .0702,-.0088, .0556, .0556,-.0641,-.1370, .1314,
|
|---|
| 623 | -.1296, .1330, .0813,-.4579, .3672,-.1296, .1330,-.1370, .1314, .6372,
|
|---|
| 624 | -.4867,-.5033, .3564,
|
|---|
| 625 | #+tyr 23
|
|---|
| 626 | n h1 h2 h3 ca ha cb hb1 hb2 cg
|
|---|
| 627 | cd1 hd1 ce1 he1 cz oh hh ce2 he2 cd2
|
|---|
| 628 | hd2 c o
|
|---|
| 629 | -.9360, .4797, .4797, .4797, .2860, .0956, .0159, .0590, .0590,-.0596,
|
|---|
| 630 | -.1367, .1315,-.1294, .1331, .0813,-.4577, .3674,-.1294, .1331,-.1367,
|
|---|
| 631 | .1315, .5942,-.5512,
|
|---|
| 632 | #-tyr 22
|
|---|
| 633 | n h ca ha cb hb1 hb2 cg cd1 hd1
|
|---|
| 634 | ce1 he1 cz oh hh ce2 he2 cd2 hd2 c
|
|---|
| 635 | o oxt
|
|---|
| 636 | -.2154, .2024,-.0290, .0714,-.0077, .0558, .0558,-.0639,-.1370, .1314,
|
|---|
| 637 | -.1296, .1330, .0813,-.4579, .3672,-.1296, .1330,-.1370, .1314, .6224,
|
|---|
| 638 | -.8340,-.8340,
|
|---|
| 639 | #nval 17
|
|---|
| 640 | n h1 h2 ca ha cb hb cg1 hg11 hg12
|
|---|
| 641 | hg13 cg2 hg21 hg22 hg23 c o
|
|---|
| 642 | -.6657, .2887, .2887,-.0364, .0796,-.0493, .0712,-.2248, .0736, .0736,
|
|---|
| 643 | .0736,-.2248, .0736, .0736, .0736, .5772,-.5562,
|
|---|
| 644 | #cval 18
|
|---|
| 645 | n h ca ha cb hb cg1 hg11 hg12 hg13
|
|---|
| 646 | cg2 hg21 hg22 hg23 c o oxt hxt
|
|---|
| 647 | -.2149, .2025,-.0583, .0719,-.0571, .0703,-.2257, .0735, .0735, .0735,
|
|---|
| 648 | -.2257, .0735, .0735, .0735, .6391,-.4862,-.5031, .3564,
|
|---|
| 649 | #+val 18
|
|---|
| 650 | n h1 h2 h3 ca ha cb hb cg1 hg11
|
|---|
| 651 | hg12 hg13 cg2 hg21 hg22 hg23 c o
|
|---|
| 652 | -.9333, .4801, .4801, .4801, .2998, .0973,-.0313, .0733,-.2228, .0740,
|
|---|
| 653 | .0740, .0740,-.2228, .0740, .0740, .0740, .5961,-.5506,
|
|---|
| 654 | #-val 17
|
|---|
| 655 | n h ca ha cb hb cg1 hg11 hg12 hg13
|
|---|
| 656 | cg2 hg21 hg22 hg23 c o oxt
|
|---|
| 657 | -.2144, .2028,-.0215, .0731,-.0560, .0705,-.2256, .0735, .0735, .0735,
|
|---|
| 658 | -.2256, .0735, .0735, .0735, .6327,-.8335,-.8335,
|
|---|
