[e40e335] | 1 | #ala 10 9
|
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| 2 | n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
|
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| 3 | h 1. 124. 0. .176 4 1 0 0 0
|
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| 4 | ca 1.453 121. 1*omg 180. .064 7 1 4 5 9
|
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| 5 | ha 1.09 107.73 -61.698 .02 1 3 0 0 0
|
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| 6 | cb 1.53 109.5 56.472 -.09 7 3 6 7 8
|
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| 7 | hb1 1.09 109.47 4*x1 180. .04 1 5 0 0 0
|
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| 8 | hb2 1.09 109.47 -60. .04 1 5 0 0 0
|
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| 9 | hb3 1.09 109.47 60. .04 1 5 0 0 0
|
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| 10 | c 1.53 109.3 2*phi 180. .45 8 3 -10 0 0
|
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| 11 | o 1.23 120.5 180. -.384 11 -9 0 0 0
|
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| 12 | #arg 23 22
|
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| 13 | n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
|
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| 14 | h 1. 124. 0. .176 4 1 0 0 0
|
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| 15 | ca 1.453 121. 1*omg 180. .064 7 1 4 5 22
|
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| 16 | ha 1.09 104.813 -60.35 .02 1 3 0 0 0
|
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| 17 | cb 1.53 111.1 58.763 -.03 7 3 6 7 8
|
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| 18 | hb1 1.09 109.689 -58.624 .015 1 5 0 0 0
|
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| 19 | hb2 1.09 109.689 58.624 .015 1 5 0 0 0
|
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| 20 | cg 1.53 111. 4*x1 180. -.03 7 5 9 10 11
|
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| 21 | hg1 1.09 109.689 -58.624 .03 1 8 0 0 0
|
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| 22 | hg2 1.09 109.689 58.624 .03 1 8 0 0 0
|
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| 23 | cd 1.53 111. 4*x2 180. .1 7 8 12 13 14
|
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| 24 | hd1 1.09 109.949 -58.778 .01 1 11 0 0 0
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| 25 | hd2 1.09 109.949 58.778 .01 1 11 0 0 0
|
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| 26 | ne 1.48 110. 4*x3 180. -.35 13 11 15 16 0
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| 27 | he 1. 117.95 0. .17 4 14 0 0 0
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| 28 | cz 1.35 124.1 8*x4 180. .48 9 14 -17 19 0
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| 29 | nh1 1.32 119. 17*x5 0. -.42 15 -16 18 0 0
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| 30 | hh1 1. 124. 180. .09 3 17 0 0 0
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| 31 | nh2 1.35 120.5 180. -.41 14 16 20 21 0
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| 32 | hh21 1. 120. 18*x6 180. .16 4 19 0 0 0
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| 33 | hh22 1. 120. 0. .16 4 19 0 0 0
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| 34 | c 1.53 110.3 2*phi 180. .45 8 3 -23 0 0
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| 35 | o 1.23 120.5 180. -.384 11 -22 0 0 0
|
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| 36 | #arg+ 24 23
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| 37 | n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
|
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| 38 | h 1. 124. 0. .176 4 1 0 0 0
|
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| 39 | ca 1.453 121. 1*omg 180. .064 7 1 4 5 23
|
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| 40 | ha 1.09 104.813 -60.35 .02 1 3 0 0 0
|
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| 41 | cb 1.53 111.1 58.763 -.03 7 3 6 7 8
|
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| 42 | hb1 1.09 109.689 -58.624 .015 1 5 0 0 0
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| 43 | hb2 1.09 109.689 58.624 .015 1 5 0 0 0
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| 44 | cg 1.53 111. 4*x1 180. -.03 7 5 9 10 11
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| 45 | hg1 1.09 109.689 -58.624 .03 1 8 0 0 0
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| 46 | hg2 1.09 109.689 58.624 .03 1 8 0 0 0
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| 47 | cd 1.53 111. 4*x2 180. .12 7 8 12 13 14
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| 48 | hd1 1.09 109.949 -58.778 .01 1 11 0 0 0
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| 49 | hd2 1.09 109.949 58.778 .01 1 11 0 0 0
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| 50 | ne 1.48 110. 4*x3 180. -.3 13 11 15 16 0
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| 51 | he 1. 117.95 0. .23 4 14 0 0 0
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| 52 | cz 1.34 124.1 8*x4 180. .58 9 14 -17 -20 0
|
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| 53 | nh1 1.34 120. 17*x5 0. -.39 13 -16 18 19 0
|
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| 54 | hh11 1. 120. 18*x61 180. .28 4 17 0 0 0
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| 55 | hh12 1. 120. 0. .28 4 17 0 0 0
|
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| 56 | nh2 1.34 120. 180. -.39 13 -16 21 22 0
|
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| 57 | hh21 1. 120. 18*x62 180. .28 4 20 0 0 0
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| 58 | hh22 1. 120. 0. .28 4 20 0 0 0
|
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| 59 | c 1.53 110.3 2*phi 180. .45 8 3 -24 0 0
|
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| 60 | o 1.23 120.5 180. -.384 11 -23 0 0 0
|
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| 61 | #asn 14 13
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| 62 | n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
|
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| 63 | h 1. 124. 0. .176 4 1 0 0 0
|
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| 64 | ca 1.453 121. 1*omg 180. .064 7 1 4 5 13
|
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| 65 | ha 1.09 105.311 -58.981 .02 1 3 0 0 0
|
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| 66 | cb 1.53 111. 60.978 -.12 7 3 6 7 8
|
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| 67 | hb1 1.09 109.689 -58.624 .055 1 5 0 0 0
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| 68 | hb2 1.09 109.689 58.624 .055 1 5 0 0 0
|
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| 69 | cg 1.53 111. 4*x1 180. .46 8 5 -9 10 0
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| 70 | od1 1.22 122. 11*x2 180. -.375 11 -8 0 0 0
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| 71 | nd2 1.33 114. 0. -.445 14 8 11 12 0
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| 72 | hd21 1. 120. 19*x3 0. .2 4 10 0 0 0
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| 73 | hd22 1. 120. 180. .2 4 10 0 0 0
|
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| 74 | c 1.53 109.3 2*phi 180. .45 8 3 -14 0 0
|
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| 75 | o 1.23 120.5 180. -.384 11 -13 0 0 0
|
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| 76 | #asp 13 12
|
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| 77 | n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
|
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| 78 | h 1. 124. 0. .176 4 1 0 0 0
|
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| 79 | ca 1.453 121. 1*omg 180. .064 7 1 4 5 12
|
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| 80 | ha 1.09 105.238 -58.978 .02 1 3 0 0 0
|
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| 81 | cb 1.53 111.1 60.917 -.1 7 3 6 7 8
|
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| 82 | hb1 1.09 108.639 -58.033 .06 1 5 0 0 0
|
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| 83 | hb2 1.09 108.639 58.033 .06 1 5 0 0 0
|
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| 84 | cg 1.53 115. 4*x1 180. .5 8 5 -9 10 0
|
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| 85 | od1 1.24 121. 9*x2 180. -.36 11 -8 0 0 0
|
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| 86 | od2 1.29 115. 0. -.35 10 8 11 0 0
|
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| 87 | hd2 1. 110. 16*x3 180. .22 5 10 0 0 0
|
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| 88 | c 1.53 109.3 2*phi 180. .45 8 3 -13 0 0
|
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| 89 | o 1.23 120.5 180. -.384 11 -12 0 0 0
|
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| 90 | #asp- 12 11
|
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| 91 | n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
|
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| 92 | h 1. 124. 0. .176 4 1 0 0 0
|
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| 93 | ca 1.453 121. 1*omg 180. -.06 7 1 4 5 11
|
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| 94 | ha 1.09 105.238 -58.978 .024 1 3 0 0 0
|
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| 95 | cb 1.53 111.1 60.917 -.17 7 3 6 7 8
|
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| 96 | hb1 1.09 109.692 -58.622 -.02 1 5 0 0 0
|
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| 97 | hb2 1.09 109.688 58.624 -.02 1 5 0 0 0
|
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| 98 | cg 1.53 115. 4*x1 180. .5 8 5 -9 -10 0
|
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| 99 | od1 1.25 117. 10*x2 180. -.57 12 -8 0 0 0
|
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| 100 | od2 1.25 117. 0. -.57 12 -8 0 0 0
|
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| 101 | c 1.53 109.3 2*phi 180. .45 8 3 -12 0 0
|
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| 102 | o 1.23 120.5 180. -.384 11 -11 0 0 0
|
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| 103 | #cys 11 10
|
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| 104 | n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
|
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| 105 | h 1. 124. 0. .176 4 1 0 0 0
|
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| 106 | ca 1.453 121. 1*omg 180. .064 7 1 4 5 10
|
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| 107 | ha 1.09 106.692 -60.68 .02 1 3 0 0 0
|
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| 108 | cb 1.53 111.7 56.329 -.105 7 3 6 7 8
|
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| 109 | hb1 1.09 109.949 -58.778 .055 1 5 0 0 0
|
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| 110 | hb2 1.09 109.949 58.778 .055 1 5 0 0 0
|
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| 111 | sg 1.83 110. 4*x1 180. .015 16 5 9 0 0
|
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| 112 | hg 1.33 96. 14*x2 180. .01 6 8 0 0 0
|
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| 113 | c 1.53 108.3 2*phi 180. .45 8 3 -11 0 0
|
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| 114 | o 1.23 120.5 180. -.384 11 -10 0 0 0
|
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| 115 | #cyss 10 9
|
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| 116 | n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
|
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| 117 | h 1. 124. 0. .176 4 1 0 0 0
|
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| 118 | ca 1.453 121. 1*omg 180. .064 7 1 4 5 9
|
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| 119 | ha 1.09 106.692 -60.68 .02 1 3 0 0 0
|
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| 120 | cb 1.53 111.7 56.329 -.09 7 3 6 7 8
|
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| 121 | hb1 1.09 108.692 -58.061 .055 1 5 0 0 0
|
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| 122 | hb2 1.09 108.692 58.061 .055 1 5 0 0 0
|
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| 123 | sg 1.83 114.8 4*x1 180. .01 16 5 0 0 0
|
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| 124 | c 1.53 108.3 2*phi 180. .45 8 3 -10 0 0
|
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| 125 | o 1.23 120.5 180. -.384 11 -9 0 0 0
|
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| 126 | #gln 17 16
|
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| 127 | n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
|
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| 128 | h 1. 124. 0. .176 4 1 0 0 0
|
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| 129 | ca 1.453 121. 1*omg 180. .064 7 1 4 5 16
|
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| 130 | ha 1.09 105.412 -61.482 .02 1 3 0 0 0
|
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| 131 | cb 1.53 111. 56.545 -.03 7 3 6 7 8
|
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| 132 | hb1 1.09 109.689 -58.624 .02 1 5 0 0 0
|
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| 133 | hb2 1.09 109.689 58.624 .02 1 5 0 0 0
|
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| 134 | cg 1.53 111. 4*x1 180. -.11 7 5 9 10 11
|
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| 135 | hg1 1.09 109.689 -58.624 .05 1 8 0 0 0
|
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| 136 | hg2 1.09 109.689 58.624 .05 1 8 0 0 0
|
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| 137 | cd 1.53 111. 4*x2 180. .47 8 8 -12 13 0
|
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| 138 | oe1 1.22 122. 11*x3 180. -.38 11 -11 0 0 0
|
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| 139 | ne2 1.33 114. 0. -.43 14 11 14 15 0
|
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| 140 | he21 1. 120. 19*x4 0. .185 4 13 0 0 0
|
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| 141 | he22 1. 120. 180. .185 4 13 0 0 0
|
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| 142 | c 1.53 110.3 2*phi 180. .45 8 3 -17 0 0
|
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| 143 | o 1.23 120.5 180. -.384 11 -16 0 0 0
|
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| 144 | #glu 16 15
|
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| 145 | n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
|
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| 146 | h 1. 124. 0. .176 4 1 0 0 0
|
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| 147 | ca 1.453 121. 1*omg 180. .064 7 1 4 5 15
|
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| 148 | ha 1.09 105.412 -61.482 .02 1 3 0 0 0
|
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| 149 | cb 1.53 111. 56.545 -.03 7 3 6 7 8
|
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| 150 | hb1 1.09 109.689 -58.624 .03 1 5 0 0 0
|
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| 151 | hb2 1.09 109.689 58.624 .03 1 5 0 0 0
|
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| 152 | cg 1.53 111. 4*x1 180. -.11 7 5 9 10 11
|
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| 153 | hg1 1.09 109.689 -58.624 .055 1 8 0 0 0
|
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| 154 | hg2 1.09 109.689 58.624 .055 1 8 0 0 0
|
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| 155 | cd 1.53 111. 4*x2 180. .5 8 8 -12 13 0
|
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| 156 | oe1 1.24 120. 9*x3 180. -.36 11 -11 0 0 0
|
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| 157 | oe2 1.29 115. 0. -.35 10 11 14 0 0
|
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| 158 | he2 1. 110. 16*x4 180. .21 5 13 0 0 0
|
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| 159 | c 1.53 110.3 2*phi 180. .45 8 3 -16 0 0
|
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| 160 | o 1.23 120.5 180. -.384 11 -15 0 0 0
|
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| 161 | #glu- 15 14
|
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| 162 | n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
|
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| 163 | h 1. 124. 0. .176 4 1 0 0 0
|
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| 164 | ca 1.453 121. 1*omg 180. .064 7 1 4 5 14
|
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| 165 | ha 1.09 105.412 -61.482 .02 1 3 0 0 0
|
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| 166 | cb 1.53 111. 56.545 -.12 7 3 6 7 8
|
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| 167 | hb1 1.09 109.689 -58.624 .02 1 5 0 0 0
|
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| 168 | hb2 1.09 109.689 58.624 .02 1 5 0 0 0
|
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| 169 | cg 1.53 111. 4*x1 180. -.17 7 5 9 10 11
|
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| 170 | hg1 1.09 109.689 -58.624 -.04 1 8 0 0 0
|
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| 171 | hg2 1.09 109.689 58.624 -.04 1 8 0 0 0
|
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| 172 | cd 1.53 111. 4*x2 180. .5 8 8 -12 -13 0
|
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| 173 | oe1 1.25 117. 10*x3 180. -.57 12 -11 0 0 0
|
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| 174 | oe2 1.25 117. 0. -.57 12 -11 0 0 0
|
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| 175 | c 1.53 110.3 2*phi 180. .45 8 3 -15 0 0
|
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| 176 | o 1.23 120.5 180. -.384 11 -14 0 0 0
|
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| 177 | #gly 7 6
|
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| 178 | n 1.325 115. 3*psi 180. -.344 13 0 2 3 0
|
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| 179 | h 1. 124. 0. .176 4 1 0 0 0
|
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| 180 | ca 1.453 121. 1*omg 180. -.008 7 1 4 5 6
|
---|
| 181 | ha1 1.09 109.689 -58.624 .055 1 3 0 0 0
|
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| 182 | ha2 1.09 109.689 58.624 .055 1 3 0 0 0
|
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| 183 | c 1.53 111. 2*phi 180. .45 8 3 -7 0 0
|
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| 184 | o 1.23 120.5 180. -.384 11 -6 0 0 0
|
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| 185 | #his 17 16
|
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| 186 | n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
|
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| 187 | h 1. 124. 0. .176 4 1 0 0 0
|
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| 188 | ca 1.453 121. 1*omg 180. .064 7 1 4 5 16
|
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| 189 | ha 1.09 106.677 -62.135 .02 1 3 0 0 0
|
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| 190 | cb 1.53 110.8 54.88 -.04 7 3 6 7 8
|
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| 191 | hb1 1.09 108.903 -58.177 .015 1 5 0 0 0
|
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| 192 | hb2 1.09 108.903 58.177 .015 1 5 0 0 0
|
---|
| 193 | cg 1.51 114. 4*x1 180. .055 9 5 9 -14 0
|
---|
| 194 | nd1 1.384 122.8 12*x2 180. -.25 13 8 10 11 0
|
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| 195 | hd1 1. 125.8 0. .15 4 9 0 0 0
|
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| 196 | ce1 1.325 108.4 180. .19 9 9 12 -13 0
|
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| 197 | he1 1.09 126. 180. .02 2 11 0 0 0
|
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| 198 | ne2 1.364 108. 0. -.24 15 -11 14 0 0
|
---|
| 199 | cd2 1.327 108.8 0. .08 9 13 -8 15 0
|
---|
| 200 | hd2 1.09 125.8 180. .035 2 14 0 0 0
|
---|
| 201 | c 1.53 109.6 2*phi 180. .45 8 3 -17 0 0
|
---|
| 202 | o 1.23 120.5 180. -.384 11 -16 0 0 0
|
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| 203 | #hise 17 16
|
---|
| 204 | n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
|
---|
| 205 | h 1. 124. 0. .176 4 1 0 0 0
|
---|
| 206 | ca 1.453 121. 1*omg 180. .064 7 1 4 5 16
|
---|
| 207 | ha 1.09 106.677 -62.135 .02 1 3 0 0 0
|
---|
| 208 | cb 1.53 110.8 54.88 -.075 7 3 6 7 8
|
---|
| 209 | hb1 1.09 108.903 -58.177 .04 1 5 0 0 0
|
---|
| 210 | hb2 1.09 108.903 58.177 .04 1 5 0 0 0
|
---|
| 211 | cg 1.51 114. 4*x1 180. .1 9 5 9 -14 0
|
---|
| 212 | nd1 1.384 122.8 12*x2 180. -.23 15 8 -10 0 0
|
---|
| 213 | ce1 1.325 108.4 180. .182 9 -9 11 12 0
|
---|
| 214 | he1 1.09 126. 180. .01 2 10 0 0 0
|
---|
| 215 | ne2 1.364 108. 0. -.255 13 10 13 14 0
|
---|
| 216 | he2 1. 125.6 180. .144 4 12 0 0 0
|
---|
| 217 | cd2 1.327 108.8 0. .054 9 12 -8 15 0
|
---|
| 218 | hd2 1.09 125.8 180. .02 2 14 0 0 0
|
---|
| 219 | c 1.53 109.6 2*phi 180. .45 8 3 -17 0 0
|
---|
| 220 | o 1.23 120.5 180. -.384 11 -16 0 0 0
|
---|
| 221 | #his+ 18 17
|
---|
| 222 | n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
|
---|
| 223 | h 1. 124. 0. .176 4 1 0 0 0
|
---|
| 224 | ca 1.453 121. 1*omg 180. .064 7 1 4 5 17
|
---|
| 225 | ha 1.09 106.677 -62.135 .02 1 3 0 0 0
|
---|
| 226 | cb 1.53 110.8 54.88 -.05 7 3 6 7 8
|
---|
| 227 | hb1 1.09 108.903 -58.177 .065 1 5 0 0 0
|
---|
| 228 | hb2 1.09 108.903 58.177 .065 1 5 0 0 0
|
---|
| 229 | cg 1.51 114. 4*x1 180. .015 9 5 9 -15 0
|
---|
| 230 | nd1 1.384 122.8 12*x2 180. -.2 13 8 10 -11 0
|
---|
| 231 | hd1 1. 125.8 0. .275 4 9 0 0 0
|
---|
| 232 | ce1 1.325 108.4 180. .275 9 -9 12 -13 0
|
---|
| 233 | he1 1.09 126. 180. .15 2 11 0 0 0
|
---|
| 234 | ne2 1.364 108. 0. -.2 13 -11 14 15 0
|
---|
| 235 | he2 1. 125.6 180. .265 4 13 0 0 0
|
---|
| 236 | cd2 1.327 108.8 0. .1 9 13 -8 16 0
|
---|
| 237 | hd2 1.09 125.8 180. .135 2 15 0 0 0
|
---|
| 238 | c 1.53 109.6 2*phi 180. .45 8 3 -18 0 0
|
---|
| 239 | o 1.23 120.5 180. -.384 11 -17 0 0 0
|
---|
| 240 | #hyp 15 14
|
---|
| 241 | n 1.36 115. 3*psi 180. -.285 13 0 2 11 0
|
---|
| 242 | ca 1.453 121. 1*omg 180. .05 7 1 3 4 14
|
---|
| 243 | ha 1.09 110.124 42.356 .04 1 2 0 0 0
|
---|
| 244 | cb 1.52 105. 162.578 -.05 7 2 5 6 7
|
---|
| 245 | hb1 1.09 111.001 139.235 .02 1 4 0 0 0
|
---|
| 246 | hb2 1.09 111.001 -101.895 .02 1 4 0 0 0
|
---|
| 247 | cg 1.52 105.9 18.67 .172 7 4 8 9 11
|
---|
| 248 | hg 1.09 112.058 -137.847 .006 1 7 0 0 0
|
---|
| 249 | od1 1.49 106. 99.18 -.323 10 7 10 0 0
|
---|
| 250 | hd1 1. 110. 5*x 122.767 .165 5 9 0 0 0
|
---|
| 251 | cd2 1.52 107.9 -14.02 .075 7 7 12 13 1
|
---|
| 252 | hd21 1.09 111.315 124.178 .02 1 11 0 0 0
|
---|
| 253 | hd22 1.09 111.315 -116.538 .02 1 11 0 0 0
|
---|
| 254 | c 1.53 111. -75. .455 8 2 -15 0 0
|
---|
| 255 | o 1.23 120.5 180. -.385 11 -14 0 0 0
|
---|
| 256 | #ile 19 18
|
---|
| 257 | n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
|
---|
| 258 | h 1. 124. 0. .176 4 1 0 0 0
|
---|
| 259 | ca 1.453 121. 1*omg 180. .064 7 1 4 5 18
|
---|
| 260 | ha 1.09 107.443 -62.498 .02 1 3 0 0 0
|
---|
| 261 | cb 1.53 110.5 54.154 -.005 7 3 6 7 11
|
---|
| 262 | hb 1.09 108.26 -62.625 .025 1 5 0 0 0
|
---|
| 263 | cg2 1.53 111. 54.749 -.075 7 5 8 9 10
|
---|
| 264 | hg21 1.09 109.47 4*x22 -60. .025 1 7 0 0 0
|
---|
| 265 | hg22 1.09 109.47 60. .025 1 7 0 0 0
|
---|
| 266 | hg23 1.09 109.47 180. .025 1 7 0 0 0
|
---|
| 267 | cg1 1.53 111. 4*x1 180. -.02 7 5 12 13 14
|
---|
| 268 | hg11 1.09 109.689 -58.624 .015 1 11 0 0 0
|
---|
| 269 | hg12 1.09 109.689 58.624 .015 1 11 0 0 0
|
---|
| 270 | cd1 1.53 111. 4*x21 180. -.075 7 11 15 16 17
|
---|
| 271 | hd11 1.09 109.47 4*x31 -60. .025 1 14 0 0 0
|
---|
| 272 | hd12 1.09 109.47 60. .025 1 14 0 0 0
|
---|
| 273 | hd13 1.09 109.47 180. .025 1 14 0 0 0
|
---|
| 274 | c 1.53 109.3 2*phi 180. .45 8 3 -19 0 0
|
---|
| 275 | o 1.23 120.5 180. -.384 11 -18 0 0 0
|
---|
| 276 | #leu 19 18
|
---|
| 277 | n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
|
---|
| 278 | h 1. 124. 0. .176 4 1 0 0 0
|
---|
| 279 | ca 1.453 121. 1*omg 180. .064 7 1 4 5 18
|
---|
| 280 | ha 1.09 107.443 -62.498 .02 1 3 0 0 0
|
---|
| 281 | cb 1.53 110.5 54.154 -.03 7 3 6 7 8
|
---|
| 282 | hb1 1.09 108.373 -57.891 .022 1 5 0 0 0
|
---|
| 283 | hb2 1.09 108.373 57.891 .022 1 5 0 0 0
|
---|
| 284 | cg 1.53 116. 4*x1 180. -.011 7 5 9 10 14
|
---|
| 285 | hg 1.09 108.26 62.625 .025 1 8 0 0 0
|
---|
| 286 | cd1 1.53 111. 4*x2 180. -.074 7 8 11 12 13
|
---|
| 287 | hd11 1.09 109.47 4*x31 -60. .025 1 10 0 0 0
|
---|
| 288 | hd12 1.09 109.47 60. .025 1 10 0 0 0
|
---|
| 289 | hd13 1.09 109.47 180. .025 1 10 0 0 0
|
---|
| 290 | cd2 1.53 111. -54.749 -.074 7 8 15 16 17
|
---|
| 291 | hd21 1.09 109.47 4*x32 -60. .025 1 14 0 0 0
|
---|
| 292 | hd22 1.09 109.47 60. .025 1 14 0 0 0
|
---|
| 293 | hd23 1.09 109.47 180. .025 1 14 0 0 0
|
---|
| 294 | c 1.53 109.3 2*phi 180. .45 8 3 -19 0 0
|
---|
| 295 | o 1.23 120.5 180. -.384 11 -18 0 0 0
|
---|
| 296 | #lys 21 20
|
---|
| 297 | n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
|
---|
| 298 | h 1. 124. 0. .176 4 1 0 0 0
|
---|
| 299 | ca 1.453 121. 1*omg 180. .064 7 1 4 5 20
|
---|
| 300 | ha 1.09 107.443 -62.498 .02 1 3 0 0 0
|
---|
| 301 | cb 1.53 110.5 54.154 -.03 7 3 6 7 8
|
---|
| 302 | hb1 1.09 109.689 -58.624 .015 1 5 0 0 0
|
---|
| 303 | hb2 1.09 109.689 58.624 .015 1 5 0 0 0
|
---|
| 304 | cg 1.53 111. 4*x1 180. -.025 7 5 9 10 11
|
---|
| 305 | hg1 1.09 109.689 -58.624 .02 1 8 0 0 0
|
---|
| 306 | hg2 1.09 109.689 58.624 .02 1 8 0 0 0
|
---|
| 307 | cd 1.53 111. 4*x2 180. -.03 7 8 12 13 14
|
---|
| 308 | hd1 1.09 109.689 -58.624 .02 1 11 0 0 0
|
---|
| 309 | hd2 1.09 109.689 58.624 .02 1 11 0 0 0
|
---|
| 310 | ce 1.53 111. 4*x3 180. .11 7 11 15 16 17
|
---|
| 311 | he1 1.09 109.819 -58.701 -.005 1 14 0 0 0
|
---|
| 312 | he2 1.09 109.819 58.701 -.005 1 14 0 0 0
|
---|
| 313 | nz 1.48 110.5 4*x4 180. -.395 14 14 18 19 0
|
---|
| 314 | hz1 1.014 112. 6*x5 180. .15 3 17 0 0 0
|
---|
| 315 | hz2 1.014 112. -60. .15 3 17 0 0 0
|
---|
| 316 | c 1.53 109.3 2*phi 180. .45 8 3 -21 0 0
|
---|
| 317 | o 1.23 120.5 180. -.384 11 -20 0 0 0
|
---|
| 318 | #lys+ 22 21
|
---|
| 319 | n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
|
---|
| 320 | h 1. 124. 0. .176 4 1 0 0 0
|
---|
| 321 | ca 1.453 121. 1*omg 180. .064 7 1 4 5 21
|
---|
| 322 | ha 1.09 107.443 -62.498 .02 1 3 0 0 0
|
---|
| 323 | cb 1.53 110.5 54.154 -.03 7 3 6 7 8
|
---|
| 324 | hb1 1.09 109.689 -58.624 .015 1 5 0 0 0
|
---|
| 325 | hb2 1.09 109.689 58.624 .015 1 5 0 0 0
|
---|
| 326 | cg 1.53 111. 4*x1 180. -.025 7 5 9 10 11
|
---|
| 327 | hg1 1.09 109.689 -58.624 .02 1 8 0 0 0
|
---|
| 328 | hg2 1.09 109.689 58.624 .02 1 8 0 0 0
|
---|
| 329 | cd 1.53 111. 4*x2 180. -.115 7 8 12 13 14
|
---|
| 330 | hd1 1.09 109.689 -58.624 .1 1 11 0 0 0
|
---|
| 331 | hd2 1.09 109.689 58.624 .1 1 11 0 0 0
|
---|
| 332 | ce 1.53 111. 4*x3 180. .05 7 11 15 16 17
|
---|
| 333 | he1 1.09 109.819 -58.701 .12 1 14 0 0 0
|
---|
| 334 | he2 1.09 109.819 58.701 .12 1 14 0 0 0
|
---|
| 335 | nz 1.48 110.5 4*x4 180. -.32 13 14 18 19 20
|
---|
| 336 | hz1 1.014 109.47 7*x5 180. .32 3 17 0 0 0
|
---|
| 337 | hz2 1.014 109.47 -60. .32 3 17 0 0 0
|
---|
| 338 | hz3 1.014 109.47 60. .32 3 17 0 0 0
|
---|
| 339 | c 1.53 109.3 2*phi 180. .45 8 3 -22 0 0
|
---|
| 340 | o 1.23 120.5 180. -.384 11 -21 0 0 0
|
---|
| 341 | #met 17 16
|
---|
| 342 | n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
|
---|
| 343 | h 1. 124. 0. .176 4 1 0 0 0
|
---|
| 344 | ca 1.453 121. 1*omg 180. .064 7 1 4 5 16
|
---|
| 345 | ha 1.09 105.576 -60.996 .02 1 3 0 0 0
|
---|
| 346 | cb 1.53 109.5 58.986 -.01 7 3 6 7 8
|
---|
| 347 | hb1 1.09 109.689 -58.624 .03 1 5 0 0 0
|
---|
| 348 | hb2 1.09 109.689 58.624 .03 1 5 0 0 0
|
---|
| 349 | cg 1.53 111. 4*x1 180. -.12 7 5 9 10 11
|
---|
| 350 | hg1 1.09 109.949 -58.778 .045 1 8 0 0 0
|
---|
| 351 | hg2 1.09 109.949 58.778 .045 1 8 0 0 0
|
---|
| 352 | sd 1.785 110. 4*x2 180. .035 16 8 12 0 0
|
---|
| 353 | ce 1.785 100. 13*x3 180. -.19 7 11 13 14 15
|
---|
| 354 | he1 1.09 109.47 13*x4 -60. .055 1 12 0 0 0
|
---|
| 355 | he2 1.09 109.47 60. .055 1 12 0 0 0
|
---|
| 356 | he3 1.09 109.47 180. .055 1 12 0 0 0
|
---|
| 357 | c 1.53 111. 2*phi 180. .45 8 3 -17 0 0
|
---|
| 358 | o 1.23 120.5 180. -.384 11 -16 0 0 0
|
---|
| 359 | #phe 20 19
|
---|
| 360 | n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
|
---|
| 361 | h 1. 124. 0. .176 4 1 0 0 0
|
---|
| 362 | ca 1.453 121. 1*omg 180. .064 7 1 4 5 19
|
---|
| 363 | ha 1.09 107.263 -60.574 .02 1 3 0 0 0
|
---|
| 364 | cb 1.53 107. 61.182 -.04 7 3 6 7 8
|
---|
| 365 | hb1 1.09 108.903 -58.177 .025 1 5 0 0 0
|
---|
| 366 | hb2 1.09 108.903 58.177 .025 1 5 0 0 0
|
---|
| 367 | cg 1.53 114. 4*x1 180. .02 9 5 -9 17 0
|
---|
| 368 | cd1 1.36 120. 12*x2 180. -.015 9 -8 10 11 0
|
---|
| 369 | hd1 1.09 120. 0. .01 2 9 0 0 0
|
---|
| 370 | ce1 1.42 120. 180. -.015 9 9 12 -13 0
|
---|
| 371 | he1 1.09 120. 180. .01 2 11 0 0 0
|
---|
| 372 | cz 1.36 120. 0. .015 9 -11 14 15 0
|
---|
| 373 | hz 1.09 120. 180. .005 2 13 0 0 0
|
---|
| 374 | ce2 1.36 120. 0. -.015 9 13 16 -17 0
|
---|
| 375 | he2 1.09 120. 180. .01 2 15 0 0 0
|
---|
| 376 | cd2 1.42 120. 0. -.015 9 -15 18 8 0
|
---|
| 377 | hd2 1.09 120. 180. .01 2 17 0 0 0
|
---|
| 378 | c 1.53 111. 2*phi 180. .45 8 3 -20 0 0
|
---|
| 379 | o 1.23 120.5 180. -.384 11 -19 0 0 0
|
---|
| 380 | #pro 14 13
|
---|
| 381 | n 1.36 115. 3*psi 180. -.285 13 0 2 10 0
|
---|
| 382 | ca 1.453 121. 1*omg 180. .05 7 1 3 4 13
|
---|
| 383 | ha 1.09 110.124 42.356 .04 1 2 0 0 0
|
---|
| 384 | cb 1.52 105. 162.578 -.025 7 2 5 6 7
|
---|
| 385 | hb1 1.09 111.001 139.235 .015 1 4 0 0 0
|
---|
| 386 | hb2 1.09 111.001 -101.895 .015 1 4 0 0 0
|
---|
| 387 | cg 1.52 105.9 18.67 -.05 7 4 8 9 10
|
---|
| 388 | hg1 1.09 110.49 106.87 .025 1 7 0 0 0
|
---|
| 389 | hg2 1.09 110.49 -134.91 .025 1 7 0 0 0
|
---|
| 390 | cd 1.52 107.9 -14.02 .1 7 7 11 12 1
|
---|
| 391 | hd1 1.09 111.315 124.178 .01 1 10 0 0 0
|
---|
| 392 | hd2 1.09 111.315 -116.538 .01 1 10 0 0 0
|
---|
| 393 | c 1.53 111. -75. .455 8 2 -14 0 0
|
---|
| 394 | o 1.23 120.5 180. -.385 11 -13 0 0 0
|
---|
| 395 | #prom 14 13
|
---|
| 396 | n 1.36 115. 3*psi 180. -.285 13 0 2 10 0
|
---|
| 397 | ca 1.453 121. 1*omg 180. .05 7 1 3 4 13
|
---|
| 398 | ha 1.09 110.124 42.356 .04 1 2 0 0 0
|
---|
| 399 | cb 1.52 105. 162.578 -.025 7 2 5 6 7
|
---|
| 400 | hb1 1.09 111.001 139.235 .015 1 4 0 0 0
|
---|
| 401 | hb2 1.09 111.001 -101.895 .015 1 4 0 0 0
|
---|
| 402 | cg 1.52 0 acg 105.9 4*tcg 18.67 -.05 7 4 8 9 10
|
---|
| 403 | hg1 1.09 110.49 106.87 .025 1 7 0 0 0
|
---|
| 404 | hg2 1.09 110.49 -134.91 .025 1 7 0 0 0
|
---|
| 405 | cd 0 bcd 1.52 0 acd 107.9 4*tcd -14.02 .1 7 7 11 12 1
|
---|
| 406 | hd1 1.09 0 ah1 111.315 124.178 .01 1 10 0 0 0
|
---|
| 407 | hd2 1.09 0 ah2 111.315 -116.538 .01 1 10 0 0 0
|
---|
| 408 | c 1.53 111. 2*phi -75. .455 8 2 -14 0 0
|
---|
| 409 | o 1.23 120.5 180. -.385 11 -13 0 0 0
|
---|
| 410 | #ser 11 10
|
---|
| 411 | n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
|
---|
| 412 | h 1. 124. 0. .176 4 1 0 0 0
|
---|
| 413 | ca 1.453 121. 1*omg 180. .064 7 1 4 5 10
|
---|
| 414 | ha 1.09 105.356 -60.837 .02 1 3 0 0 0
|
---|
| 415 | cb 1.53 111.1 57.576 .13 7 3 6 7 8
|
---|
| 416 | hb1 1.09 109.428 -58.473 .02 1 5 0 0 0
|
---|
| 417 | hb2 1.09 109.428 58.473 .02 1 5 0 0 0
|
---|
| 418 | og 1.425 112. 4*x1 180. -.31 10 5 9 0 0
|
---|
| 419 | hg 1. 110. 5*x2 180. .17 5 8 0 0 0
|
---|
| 420 | c 1.53 110. 2*phi 180. .45 8 3 -11 0 0
|
---|
| 421 | o 1.23 120.5 180. -.384 11 -10 0 0 0
|
---|
| 422 | #thr 14 13
|
---|
| 423 | n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
|
---|
| 424 | h 1. 124. 0. .176 4 1 0 0 0
|
---|
| 425 | ca 1.453 121. 1*omg 180. .064 7 1 4 5 13
|
---|
| 426 | ha 1.09 108.374 -63.043 .02 1 3 0 0 0
|
---|
| 427 | cb 1.53 108. 55.503 .16 7 3 6 7 9
|
---|
| 428 | hb 1.09 110.93 -56.998 .015 1 5 0 0 0
|
---|
| 429 | og1 1.425 104.1 4*x1 180. -.31 10 5 8 0 0
|
---|
| 430 | hg1 1. 110. 5*x21 180. .17 5 7 0 0 0
|
---|
| 431 | cg2 1.53 112.5 67.919 -.095 7 5 10 11 12
|
---|
| 432 | hg21 1.09 109.47 4*x22 60. .03 1 9 0 0 0
|
---|
| 433 | hg22 1.09 109.47 -60. .03 1 9 0 0 0
|
---|
| 434 | hg23 1.09 109.47 180. .03 1 9 0 0 0
|
---|
| 435 | c 1.53 110.4 2*phi 180. .45 8 3 -14 0 0
|
---|
| 436 | o 1.23 120.5 180. -.384 11 -13 0 0 0
|
---|
| 437 | #trp 24 23
|
---|
| 438 | n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
|
---|
| 439 | h 1. 124. 0. .176 4 1 0 0 0
|
---|
| 440 | ca 1.453 121. 1*omg 180. .064 7 1 4 5 23
|
---|
| 441 | ha 1.09 107.799 -61.187 .02 1 3 0 0 0
|
---|
| 442 | cb 1.53 111. 55.612 -.03 7 3 6 7 8
|
---|
| 443 | hb1 1.09 108.903 -58.177 .015 1 5 0 0 0
|
---|
| 444 | hb2 1.09 108.903 58.177 .015 1 5 0 0 0
|
---|
| 445 | cg 1.53 114. 4*x1 180. -.025 9 5 -9 22 0
|
---|
| 446 | cd1 1.34 128. 12*x2 180. .085 9 -8 10 11 0
|
---|
| 447 | hd1 1.09 124.25 0. .0 2 9 0 0 0
|
---|
| 448 | ne1 1.38 111.5 180. -.28 13 9 12 13 0
|
---|
| 449 | he1 1. 126.3 180. .13 4 11 0 0 0
|
---|
| 450 | ce2 1.39 107.4 0. .15 9 11 14 -22 0
|
---|
| 451 | cz2 1.4 129.4 180. -.06 9 13 15 -16 0
|
---|
| 452 | hz2 1.09 121.8 0. .03 2 14 0 0 0
|
---|
| 453 | ch2 1.39 116.4 180. -.005 9 -14 17 18 0
|
---|
| 454 | hh2 1.09 120.15 180. .01 2 16 0 0 0
|
---|
| 455 | cz3 1.39 119.7 0. -.02 9 16 19 -20 0
|
---|
| 456 | hz3 1.09 117.7 180. .01 2 18 0 0 0
|
---|
| 457 | ce3 1.4 124.6 0. -.08 9 -18 21 22 0
|
---|
| 458 | he3 1.09 122.5 180. .08 2 20 0 0 0
|
---|
| 459 | cd2 1.41 115. 0. .005 9 20 8 -13 0
|
---|
| 460 | c 1.53 108. 2*phi 180. .45 8 3 -24 0 0
|
---|
| 461 | o 1.23 120.5 180. -.384 11 -23 0 0 0
|
---|
| 462 | #tyr 21 20
|
---|
| 463 | n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
|
---|
| 464 | h 1. 124. 0. .176 4 1 0 0 0
|
---|
| 465 | ca 1.453 121. 1*omg 180. .064 7 1 4 5 20
|
---|
| 466 | ha 1.09 107.973 -60.509 .02 1 3 0 0 0
|
---|
| 467 | cb 1.53 106. 61.78 -.04 7 3 6 7 8
|
---|
| 468 | hb1 1.09 108.903 -58.177 .025 1 5 0 0 0
|
---|
| 469 | hb2 1.09 108.903 58.177 .025 1 5 0 0 0
|
---|
| 470 | cg 1.53 114. 4*x1 180. .02 9 5 -9 18 0
|
---|
| 471 | cd1 1.38 120. 12*x2 180. -.01 9 -8 10 11 0
|
---|
| 472 | hd1 1.09 120. 0. .01 2 9 0 0 0
|
---|
| 473 | ce1 1.44 120. 180. -.06 9 9 12 -13 0
|
---|
| 474 | he1 1.09 120.75 180. .03 2 11 0 0 0
|
---|
| 475 | cz 1.36 118.5 0. .225 9 -11 14 16 0
|
---|
| 476 | oh 1.36 118.5 180. -.33 10 13 15 0 0
|
---|
| 477 | hh 1. 110. 15*x6 180. .165 5 14 0 0 0
|
---|
| 478 | ce2 1.36 123. 0. -.06 9 13 17 -18 0
|
---|
| 479 | he2 1.09 120.75 180. .03 2 16 0 0 0
|
---|
| 480 | cd2 1.44 118.5 0. -.01 9 -16 19 8 0
|
---|
| 481 | hd2 1.09 120. 180. .01 2 18 0 0 0
|
---|
| 482 | c 1.53 111. 2*phi 180. .45 8 3 -21 0 0
|
---|
| 483 | o 1.23 120.5 180. -.384 11 -20 0 0 0
|
---|
| 484 | #val 16 15
|
---|
| 485 | n 1.325 115. 3*psi 180. -.356 13 0 2 3 0
|
---|
| 486 | h 1. 124. 0. .176 4 1 0 0 0
|
---|
| 487 | ca 1.453 121. 1*omg 180. .064 7 1 4 5 15
|
---|
| 488 | ha 1.09 107.568 -62.068 .02 1 3 0 0 0
|
---|
| 489 | cb 1.53 110. 55.387 .008 7 3 6 7 11
|
---|
| 490 | hb 1.09 107.895 61.977 .016 1 5 0 0 0
|
---|
| 491 | cg1 1.53 111. 4*x1 180. -.072 7 5 8 9 10
|
---|
| 492 | hg11 1.09 109.47 4*x21 -60. .025 1 7 0 0 0
|
---|
| 493 | hg12 1.09 109.47 60. .025 1 7 0 0 0
|
---|
| 494 | hg13 1.09 109.47 180. .025 1 7 0 0 0
|
---|
| 495 | cg2 1.53 111. -56.046 -.072 7 5 12 13 14
|
---|
| 496 | hg21 1.09 109.47 4*x22 -60. .025 1 11 0 0 0
|
---|
| 497 | hg22 1.09 109.47 60. .025 1 11 0 0 0
|
---|
| 498 | hg23 1.09 109.47 180. .025 1 11 0 0 0
|
---|
| 499 | c 1.53 109.3 2*phi 180. .45 8 3 -16 0 0
|
---|
| 500 | o 1.23 120.5 180. -.384 11 -15 0 0 0
|
---|
| 501 | #ace 6 5
|
---|
| 502 | ch3 1.453 121. 180. -.129 7 2 3 4 5
|
---|
| 503 | h1 1.09 0. 0. .020 1 1 0 0 0
|
---|
| 504 | h2 1.09 109.471 -60.001 .020 1 1 0 0 0
|
---|
| 505 | h3 1.09 109.471 60.001 .020 1 1 0 0 0
|
---|
| 506 | c 1.49 109.471 180. .455 8 1 -6 0 0
|
---|
| 507 | o 1.23 120.5 180. -.386 11 -5 0 0 0
|
---|
| 508 | #nme 6 3
|
---|
| 509 | n 1.453 115. 3*psi 180. -.345 13 0 2 3 0
|
---|
| 510 | h 1. 124. 0. .163 4 1 0 0 0
|
---|
| 511 | c 1.325 121. 1*omg 180. .05 7 1 4 5 6
|
---|
| 512 | h1 1.09 109.47 2*pht 180. .044 1 3 0 0 0
|
---|
| 513 | h2 1.09 109.47 -60. .044 1 3 0 0 0
|
---|
| 514 | h3 1.09 109.47 60. .044 1 3 0 0 0
|
---|
| 515 | #nh1 2 1 # only for Pro & Hyp
|
---|
| 516 | n 1.453 109.3 3*psi 180. -.080 13 0 2 0 0
|
---|
| 517 | h 1.014 123.491 -75.02 .130 4 1 0 0 0
|
---|
| 518 | #nh2 3 1
|
---|
| 519 | n 1.453 109.3 3*psi 180. -.356 14 0 2 3 0
|
---|
| 520 | h1 1.000 112. 6*phi 180. .176 4 1 0 0 0
|
---|
| 521 | h2 1.000 112. -60. .176 4 1 0 0 0
|
---|
| 522 | #nh2+ 3 1 # only for Pro & Hyp
|
---|
| 523 | n 1.453 109.3 3*psi 180. -.140 13 0 2 3 0
|
---|
| 524 | h1 1.014 109.208 -133.247 .300 3 1 0 0 0
|
---|
| 525 | h2 1.014 109.208 -16.793 .300 3 1 0 0 0
|
---|
| 526 | #nh3+ 4 1
|
---|
| 527 | n 1.453 109.3 3*psi 180. -.356 13 0 2 3 4
|
---|
| 528 | h1 1.014 109.47 7*phi 180. .285 3 1 0 0 0
|
---|
| 529 | h2 1.014 109.47 60. .285 3 1 0 0 0
|
---|
| 530 | h3 1.014 109.47 -60. .285 3 1 0 0 0
|
---|
| 531 | #cooh 4 1
|
---|
| 532 | c 1.53 109.3 2*phi 180. .45 8 0 -2 3 0
|
---|
| 533 | o 1.23 120.5 0. -.384 11 -1 0 0 0
|
---|
| 534 | oxt 1.29 115. 9*pst 180. -.38 10 1 4 0 0
|
---|
| 535 | hxt 1. 110. 16*omt 180. .204 5 3 0 0 0
|
---|
| 536 | #coo- 3 1
|
---|
| 537 | c 1.53 109.3 2*phi 180. .45 8 0 -2 -3 0
|
---|
| 538 | o 1.25 117. 0. -.532 12 -1 0 0 0
|
---|
| 539 | oxt 1.25 117. 10*pst 180. -.532 12 -1 0 0 0
|
---|