1 | #ala 10 9
|
---|
2 | n 1.32 115.41 3*psi 180. -.2153 13 0 2 3 0
|
---|
3 | h 1. 122.97 0. .2024 4 1 0 0 0
|
---|
4 | ca 1.47 120.93 1*omg 180. -.0638 7 1 4 5 9
|
---|
5 | ha 1.09 109.433 -59.93 .0713 1 3 0 0 0
|
---|
6 | cb 1.52 109.47 60. -.2248 7 3 6 7 8
|
---|
7 | hb1 1.09 109.47 4*x1 180. .0736 1 5 0 0 0
|
---|
8 | hb2 1.09 109.47 -60. .0736 1 5 0 0 0
|
---|
9 | hb3 1.09 109.47 60. .0736 1 5 0 0 0
|
---|
10 | c 1.53 109.7 2*phi 180. .5683 8 3 -10 0 0
|
---|
11 | o 1.24 120.95 180. -.5589 11 -9 0 0 0
|
---|
12 | #arg 23 22
|
---|
13 | n 1.32 115.41 3*psi 180. -.2155 13 0 2 3 0
|
---|
14 | h 1. 122.97 0. .2023 4 1 0 0 0
|
---|
15 | ca 1.47 120.93 1*omg 180. -.0662 7 1 4 5 22
|
---|
16 | ha 1.09 109.433 -59.93 .0711 1 3 0 0 0
|
---|
17 | cb 1.52 109.47 60. -.1427 7 3 6 7 8
|
---|
18 | hb1 1.09 109.47 -60. .0714 1 5 0 0 0
|
---|
19 | hb2 1.09 109.47 60. .0714 1 5 0 0 0
|
---|
20 | cg 1.52 109.47 4*x1 180. -.1395 7 5 9 10 11
|
---|
21 | hg1 1.09 109.47 -60. .0719 1 8 0 0 0
|
---|
22 | hg2 1.09 109.47 60. .0719 1 8 0 0 0
|
---|
23 | cd 1.52 109.47 4*x2 180. -.1326 7 8 12 13 14
|
---|
24 | hd1 1.09 109.47 -60. .0748 1 11 0 0 0
|
---|
25 | hd2 1.09 109.47 60. .0748 1 11 0 0 0
|
---|
26 | ne 1.47 109.47 4*x3 180. -.1628 13 11 15 16 0
|
---|
27 | he 1.02 120. 0. .2076 4 14 0 0 0
|
---|
28 | cz 1.35 120. 8*x4 180. .4189 9 14 -17 19 0
|
---|
29 | nh1 1.32 119. 17*x5 0. -.8789 15 -16 18 0 0
|
---|
30 | hh1 1.02 124. 180. .2845 3 17 0 0 0
|
---|
31 | nh2 1.34 120.5 180. -.4678 14 16 20 21 0
|
---|
32 | hh21 1.02 120. 18*x6 180. .2882 4 19 0 0 0
|
---|
33 | hh22 1.02 120. 0. .2882 4 19 0 0 0
|
---|
34 | c 1.53 109.7 2*phi 180. .5680 8 3 -23 0 0
|
---|
35 | o 1.24 120.95 180. -.5590 11 -22 0 0 0
|
---|
36 | #arg+ 24 23
|
---|
37 | n 1.32 115.41 3*psi 180. -.2155 13 0 2 3 0
|
---|
38 | h 1. 122.97 0. .2023 4 1 0 0 0
|
---|
39 | ca 1.47 120.93 1*omg 180. -.0662 7 1 4 5 23
|
---|
40 | ha 1.09 109.433 -59.93 .0711 1 3 0 0 0
|
---|
41 | cb 1.52 109.47 60. -.1425 7 3 6 7 8
|
---|
42 | hb1 1.09 109.47 -60. .0715 1 5 0 0 0
|
---|
43 | hb2 1.09 109.47 60. .0715 1 5 0 0 0
|
---|
44 | cg 1.52 109.47 4*x1 180. -.1379 7 5 9 10 11
|
---|
45 | hg1 1.09 109.47 -60. .0721 1 8 0 0 0
|
---|
46 | hg2 1.09 109.47 60. .0721 1 8 0 0 0
|
---|
47 | cd 1.52 109.47 4*x2 180. -.1274 7 8 12 13 14
|
---|
48 | hd1 1.09 109.47 -60. .0765 1 11 0 0 0
|
---|
49 | hd2 1.09 109.47 60. .0765 1 11 0 0 0
|
---|
50 | ne 1.47 109.47 4*x3 180. -.0177 13 11 15 16 0
|
---|
51 | he 1.02 120. 0. .2347 4 14 0 0 0
|
---|
52 | cz 1.35 120. 8*x4 180. .3119 9 14 -17 -20 0
|
---|
53 | nh1 1.34 120. 17*x5 0. -.6246 13 -16 18 19 0
|
---|
54 | hh11 1.02 120. 18*x61 180. .4218 4 17 0 0 0
|
---|
55 | hh12 1.02 120. 0. .4218 4 17 0 0 0
|
---|
56 | nh2 1.34 120. 180. -.6246 13 -16 21 22 0
|
---|
57 | hh21 1.02 120. 18*x62 180. .4218 4 20 0 0 0
|
---|
58 | hh22 1.02 120. 0. .4218 4 20 0 0 0
|
---|
59 | c 1.53 109.7 2*phi 180. .5680 8 3 -24 0 0
|
---|
60 | o 1.24 120.95 180. -.5590 11 -23 0 0 0
|
---|
61 | #asn 14 13
|
---|
62 | n 1.32 115.41 3*psi 180. -.2155 13 0 2 3 0
|
---|
63 | h 1. 122.97 0. .2023 4 1 0 0 0
|
---|
64 | ca 1.47 120.93 1*omg 180. -.0669 7 1 4 5 13
|
---|
65 | ha 1.09 109.433 -59.93 .0710 1 3 0 0 0
|
---|
66 | cb 1.52 109.47 60. -.1477 7 3 6 7 8
|
---|
67 | hb1 1.09 109.47 -60. .0708 1 5 0 0 0
|
---|
68 | hb2 1.09 109.47 60. .0708 1 5 0 0 0
|
---|
69 | cg 1.52 111. 4*x1 180. .5713 8 5 -9 10 0
|
---|
70 | od1 1.24 120. 11*x2 180. -.5827 11 -8 0 0 0
|
---|
71 | nd2 1.34 120. 0. -.5539 14 8 11 12 0
|
---|
72 | hd21 1.02 120. 19*x3 0. .2858 4 10 0 0 0
|
---|
73 | hd22 1.02 120. 180. .2858 4 10 0 0 0
|
---|
74 | c 1.53 109.7 2*phi 180. .5679 8 3 -14 0 0
|
---|
75 | o 1.24 120.95 180. -.5590 11 -13 0 0 0
|
---|
76 | #asp 13 12
|
---|
77 | n 1.32 115.41 3*psi 180. -.2155 13 0 2 3 0
|
---|
78 | h 1. 122.97 0. .2023 4 1 0 0 0
|
---|
79 | ca 1.47 120.93 1*omg 180. -.0667 7 1 4 5 12
|
---|
80 | ha 1.09 109.433 -60. .0710 1 3 0 0 0
|
---|
81 | cb 1.52 109.47 60. -.1465 7 3 6 7 8
|
---|
82 | hb1 1.09 109.47 -60. .0709 1 5 0 0 0
|
---|
83 | hb2 1.09 109.47 60. .0709 1 5 0 0 0
|
---|
84 | cg 1.52 109.47 4*x1 180. .6380 8 5 -9 10 0
|
---|
85 | od1 1.24 120.95 9*x2 180. -.4865 11 -8 0 0 0
|
---|
86 | od2 1.29 115. 0. -.5032 10 8 11 0 0
|
---|
87 | hd2 .97 107. 16*x3 180. .3564 5 10 0 0 0
|
---|
88 | c 1.53 109.7 2*phi 180. .5679 8 3 -13 0 0
|
---|
89 | o 1.24 120.95 180. -.5590 11 -12 0 0 0
|
---|
90 | #asp- 12 11
|
---|
91 | n 1.32 115.41 3*psi 180. -.2154 13 0 2 3 0
|
---|
92 | h 1. 122.97 0. .2023 4 1 0 0 0
|
---|
93 | ca 1.47 120.93 1*omg 180. -.0654 7 1 4 5 11
|
---|
94 | ha 1.09 109.433 -59.93 .0712 1 3 0 0 0
|
---|
95 | cb 1.52 109.47 60. -.1066 7 3 6 7 8
|
---|
96 | hb1 1.09 109.47 -60. .0722 1 5 0 0 0
|
---|
97 | hb2 1.09 109.47 60. .0722 1 5 0 0 0
|
---|
98 | cg 1.52 109.47 4*x1 180. .6278 9 5 -9 -10 0
|
---|
99 | od1 1.24 120. 10*x2 180. -.8337 12 -8 0 0 0
|
---|
100 | od2 1.24 120. 0. -.8337 12 -8 0 0 0
|
---|
101 | c 1.53 109.7 2*phi 180. .5681 8 3 -12 0 0
|
---|
102 | o 1.24 120.95 180. -.5590 11 -11 0 0 0
|
---|
103 | #cys 11 10
|
---|
104 | n 1.32 115.41 3*psi 180. -.2153 13 0 2 3 0
|
---|
105 | h 1. 122.97 0. .2024 4 1 0 0 0
|
---|
106 | ca 1.47 120.93 1*omg 180. -.0624 7 1 4 5 10
|
---|
107 | ha 1.09 109.433 -59.93 .0715 1 3 0 0 0
|
---|
108 | cb 1.52 109.47 60. -.1324 7 3 6 7 8
|
---|
109 | hb1 1.09 108.836 -59.62 .0750 1 5 0 0 0
|
---|
110 | hb2 1.09 108.836 59.62 .0750 1 5 0 0 0
|
---|
111 | sg 1.82 112. 4*x1 180. -.1542 16 5 9 0 0
|
---|
112 | hg 1.33 95. 14*x2 180. .1309 6 8 0 0 0
|
---|
113 | c 1.53 109.7 2*phi 180. .5684 8 3 -11 0 0
|
---|
114 | o 1.24 120.95 180. -.5589 11 -10 0 0 0
|
---|
115 | #cyss 10 9
|
---|
116 | n 1.32 115.41 3*psi 180. -.2153 13 0 2 3 0
|
---|
117 | h 1. 122.97 0. .2024 4 1 0 0 0
|
---|
118 | ca 1.47 120.93 1*omg 180. -.0624 7 1 4 5 9
|
---|
119 | ha 1.09 109.433 -59.93 .0715 1 3 0 0 0
|
---|
120 | cb 1.52 109.47 60. -.0927 7 3 6 7 8
|
---|
121 | hb1 1.09 108.836 -59.62 .0975 1 5 0 0 0
|
---|
122 | hb2 1.09 108.836 59.62 .0975 1 5 0 0 0
|
---|
123 | sg 1.82 112. 4*x1 180. -.1080 16 5 0 0 0
|
---|
124 | c 1.53 109.7 2*phi 180. .5684 8 3 -10 0 0
|
---|
125 | o 1.24 120.95 180. -.5589 11 -9 0 0 0
|
---|
126 | #gln 17 16
|
---|
127 | n 1.32 115.41 3*psi 180. -.2155 13 0 2 3 0
|
---|
128 | h 1. 122.97 0. .2023 4 1 0 0 0
|
---|
129 | ca 1.47 120.93 1*omg 180. -.0664 7 1 4 5 16
|
---|
130 | ha 1.09 109.433 -59.93 .0711 1 3 0 0 0
|
---|
131 | cb 1.52 109.47 60. -.1438 7 3 6 7 8
|
---|
132 | hb1 1.09 109.47 -60. .0713 1 5 0 0 0
|
---|
133 | hb2 1.09 109.47 60. .0713 1 5 0 0 0
|
---|
134 | cg 1.52 109.47 4*x1 180. -.1474 7 5 9 10 11
|
---|
135 | hg1 1.09 109.47 -60. .0708 1 8 0 0 0
|
---|
136 | hg2 1.09 109.47 60. .0708 1 8 0 0 0
|
---|
137 | cd 1.52 109.47 4*x2 180. .5715 8 8 -12 13 0
|
---|
138 | oe1 1.24 120. 11*x3 180. -.5827 11 -11 0 0 0
|
---|
139 | ne2 1.34 120. 0. -.5539 14 11 14 15 0
|
---|
140 | he21 1.02 120. 19*x4 0. .2858 4 13 0 0 0
|
---|
141 | he22 1.02 120. 180. .2858 4 13 0 0 0
|
---|
142 | c 1.53 109.7 2*phi 180. .5680 8 3 -17 0 0
|
---|
143 | o 1.24 120.95 180. -.5590 11 -16 0 0 0
|
---|
144 | #glu 16 15
|
---|
145 | n 1.32 115.41 3*psi 180. -.2155 13 0 2 3 0
|
---|
146 | h 1. 122.97 0. .2023 4 1 0 0 0
|
---|
147 | ca 1.47 120.93 1*omg 180. -.0663 7 1 4 5 15
|
---|
148 | ha 1.09 109.433 -59.93 .0711 1 3 0 0 0
|
---|
149 | cb 1.52 109.47 60. -.1436 7 3 6 7 8
|
---|
150 | hb1 1.09 109.47 -60. .0713 1 5 0 0 0
|
---|
151 | hb2 1.09 109.47 60. .0713 1 5 0 0 0
|
---|
152 | cg 1.52 109.47 4*x1 180. -.1463 7 5 9 10 11
|
---|
153 | hg1 1.09 109.47 -60. .0710 1 8 0 0 0
|
---|
154 | hg2 1.09 109.47 60. .0710 1 8 0 0 0
|
---|
155 | cd 1.52 109.47 4*x2 180. .6380 8 8 -12 13 0
|
---|
156 | oe1 1.24 120.95 9*x3 180. -.4865 11 -11 0 0 0
|
---|
157 | oe2 1.29 115. 0. -.5032 10 11 14 0 0
|
---|
158 | he2 .97 107. 16*x4 180. .3564 5 13 0 0 0
|
---|
159 | c 1.53 109.7 2*phi 180. .5680 8 3 -16 0 0
|
---|
160 | o 1.24 120.95 180. -.5590 11 -15 0 0 0
|
---|
161 | #glu- 15 14
|
---|
162 | n 1.32 115.41 3*psi 180. -.2155 13 0 2 3 0
|
---|
163 | h 1. 122.97 0. .2023 4 1 0 0 0
|
---|
164 | ca 1.47 120.93 1*omg 180. -.0661 7 1 4 5 14
|
---|
165 | ha 1.09 109.433 -59.93 .0711 1 3 0 0 0
|
---|
166 | cb 1.52 109.47 60. -.1424 7 3 6 7 8
|
---|
167 | hb1 1.09 109.47 -60. .0715 1 5 0 0 0
|
---|
168 | hb2 1.09 109.47 60. .0715 1 5 0 0 0
|
---|
169 | cg 1.52 109.47 4*x1 180. -.1066 7 5 9 10 11
|
---|
170 | hg1 1.09 109.47 -60. .0723 1 8 0 0 0
|
---|
171 | hg2 1.09 109.47 60. .0723 1 8 0 0 0
|
---|
172 | cd 1.52 109.47 4*x2 180. .6280 9 8 -12 -13 0
|
---|
173 | oe1 1.24 120. 10*x3 180. -.8337 12 -11 0 0 0
|
---|
174 | oe2 1.24 120. 0. -.8337 12 -11 0 0 0
|
---|
175 | c 1.53 109.7 2*phi 180. .5680 8 3 -15 0 0
|
---|
176 | o 1.24 120.95 180. -.5590 11 -14 0 0 0
|
---|
177 | #gly 7 6
|
---|
178 | n 1.32 115.41 3*psi 180. -.2145 13 0 2 3 0
|
---|
179 | h 1. 122.97 0. .2028 4 1 0 0 0
|
---|
180 | ca 1.47 120.93 1*omg 180. -.1460 7 1 4 5 6
|
---|
181 | ha1 1.09 109.414 -59.964 .0730 1 3 0 0 0
|
---|
182 | ha2 1.09 109.414 59.964 .0730 1 3 0 0 0
|
---|
183 | c 1.53 109.7 2*phi 180. .5701 8 3 -7 0 0
|
---|
184 | o 1.24 120.95 180. -.5584 11 -6 0 0 0
|
---|
185 | #hisd 17 16
|
---|
186 | n 1.32 115.41 3*psi 180. -.2164 13 0 2 3 0
|
---|
187 | h 1. 122.97 0. .2018 4 1 0 0 0
|
---|
188 | ca 1.47 120.93 1*omg 180. -.0832 7 1 4 5 16
|
---|
189 | ha 1.09 109.433 -59.93 .0692 1 3 0 0 0
|
---|
190 | cb 1.52 109.47 60. -.0081 7 3 6 7 8
|
---|
191 | hb1 1.09 109.47 -60. .0556 1 5 0 0 0
|
---|
192 | hb2 1.09 109.47 60. .0556 1 5 0 0 0
|
---|
193 | cg 1.54 109.47 4*x1 180. -.0502 9 5 9 -14 0
|
---|
194 | nd1 1.404 127.173 12*x2 180. -.1876 13 8 10 11 0
|
---|
195 | hd1 1.02 125.913 0. .2498 4 9 0 0 0
|
---|
196 | ce1 1.32 108.174 180. .0520 9 9 12 -13 0
|
---|
197 | he1 1.09 125.5 180. .1460 2 11 0 0 0
|
---|
198 | ne2 1.31 109. 0. -.3698 15 -11 14 0 0
|
---|
199 | cd2 1.36 110. 0. -.0654 9 13 -8 15 0
|
---|
200 | hd2 1.09 126.5 180. .1443 2 14 0 0 0
|
---|
201 | c 1.53 109.7 2*phi 180. .5660 8 3 -17 0 0
|
---|
202 | o 1.24 120.95 180. -.5596 11 -16 0 0 0
|
---|
203 | #hise 17 16
|
---|
204 | n 1.32 115.41 3*psi 180. -.2164 13 0 2 3 0
|
---|
205 | h 1. 122.97 0. .2018 4 1 0 0 0
|
---|
206 | ca 1.47 120.93 1*omg 180. -.0821 7 1 4 5 16
|
---|
207 | ha 1.09 109.433 -59.93 .0693 1 3 0 0 0
|
---|
208 | cb 1.52 109.47 60. -.0004 7 3 6 7 8
|
---|
209 | hb1 1.09 109.47 -60. .0567 1 5 0 0 0
|
---|
210 | hb2 1.09 109.47 60. .0567 1 5 0 0 0
|
---|
211 | cg 1.54 109.47 4*x1 180. .0123 9 5 9 -14 0
|
---|
212 | nd1 1.404 127.173 12*x2 180. -.3791 15 8 -10 0 0
|
---|
213 | ce1 1.32 108.174 180. .0520 9 -9 11 12 0
|
---|
214 | he1 1.09 125.5 180. .1460 2 10 0 0 0
|
---|
215 | ne2 1.31 109. 0. -.1816 13 10 13 14 0
|
---|
216 | he2 1.02 125. 180. .2515 4 12 0 0 0
|
---|
217 | cd2 1.36 110. 0. -.1270 9 12 -8 15 0
|
---|
218 | hd2 1.09 126.5 180. .1336 2 14 0 0 0
|
---|
219 | c 1.53 109.7 2*phi 180. .5662 8 3 -17 0 0
|
---|
220 | o 1.24 120.95 180. -.5595 11 -16 0 0 0
|
---|
221 | #his+ 18 17
|
---|
222 | n 1.32 115.41 3*psi 180. -.2158 13 0 2 3 0
|
---|
223 | h 1. 122.97 0. .2021 4 1 0 0 0
|
---|
224 | ca 1.47 120.93 1*omg 180. -.0735 7 1 4 5 17
|
---|
225 | ha 1.09 109.433 -59.93 .0703 1 3 0 0 0
|
---|
226 | cb 1.52 109.47 60. .0578 7 3 6 7 8
|
---|
227 | hb1 1.09 109.47 -60. .0647 1 5 0 0 0
|
---|
228 | hb2 1.09 109.47 60. .0647 1 5 0 0 0
|
---|
229 | cg 1.54 109.47 4*x1 180. .0681 9 5 9 -15 0
|
---|
230 | nd1 1.404 127.173 12*x2 180. -.0975 13 8 10 -11 0
|
---|
231 | hd1 1.02 125.913 0. .3951 4 9 0 0 0
|
---|
232 | ce1 1.32 108.174 180. -.2901 9 -9 12 -13 0
|
---|
233 | he1 1.09 125.5 180. .2356 2 11 0 0 0
|
---|
234 | ne2 1.31 109. 0. -.0750 13 -11 14 15 0
|
---|
235 | he2 1.02 125. 180. .3976 4 13 0 0 0
|
---|
236 | cd2 1.36 110. 0. -.0351 9 13 -8 16 0
|
---|
237 | hd2 1.09 126.5 180. .2231 2 15 0 0 0
|
---|
238 | c 1.53 109.7 2*phi 180. .5672 8 3 -18 0 0
|
---|
239 | o 1.24 120.95 180. -.5593 11 -17 0 0 0
|
---|
240 | #hyp 15 14
|
---|
241 | n 1.36 115. 3*psi 180. -.0198 13 0 2 11 0
|
---|
242 | ca 1.453 121. 1*omg 180. -.0664 7 1 3 4 14
|
---|
243 | ha 1.09 110.124 42.356 .0707 1 2 0 0 0
|
---|
244 | cb 1.52 105. 162.578 -.1328 7 2 5 6 7
|
---|
245 | hb1 1.09 111.001 139.235 .0727 1 4 0 0 0
|
---|
246 | hb2 1.09 111.001 -101.895 .0727 1 4 0 0 0
|
---|
247 | cg 1.52 105.9 18.67 .0379 7 4 8 9 11
|
---|
248 | hg 1.09 112.058 -137.847 .0826 1 7 0 0 0
|
---|
249 | od1 1.49 106. 99.18 -.5101 10 7 10 0 0
|
---|
250 | hd1 1. 110. 5*xg 122.767 .3591 5 9 0 0 0
|
---|
251 | cd2 1.52 107.9 -14.02 -.1238 7 7 12 13 1
|
---|
252 | hd21 1.09 111.315 124.178 .0753 1 11 0 0 0
|
---|
253 | hd22 1.09 111.315 -116.538 .0753 1 11 0 0 0
|
---|
254 | c 1.53 111. -75. .5667 8 2 -15 0 0
|
---|
255 | o 1.24 120.95 180. -.5601 11 -14 0 0 0
|
---|
256 | #ile 19 18
|
---|
257 | n 1.32 115.41 3*psi 180. -.2155 13 0 2 3 0
|
---|
258 | h 1. 122.97 0. .2023 4 1 0 0 0
|
---|
259 | ca 1.47 120.93 1*omg 180. -.0678 7 1 4 5 18
|
---|
260 | ha 1.09 109.433 -59.93 .0709 1 3 0 0 0
|
---|
261 | cb 1.52 109.47 60. -.0601 7 3 6 7 11
|
---|
262 | hb 1.09 109.47 -60. .0700 1 5 0 0 0
|
---|
263 | cg2 1.52 109.47 60. -.2261 7 5 8 9 10
|
---|
264 | hg21 1.09 109.47 4*x22 -60. .0734 1 7 0 0 0
|
---|
265 | hg22 1.09 109.47 60. .0734 1 7 0 0 0
|
---|
266 | hg23 1.09 109.47 180. .0734 1 7 0 0 0
|
---|
267 | cg1 1.52 109.47 4*x1 180. -.1421 7 5 12 13 14
|
---|
268 | hg11 1.09 109.47 -60. .0715 1 11 0 0 0
|
---|
269 | hg12 1.09 109.47 60. .0715 1 11 0 0 0
|
---|
270 | cd1 1.52 109.47 4*x21 180. -.2246 7 11 15 16 17
|
---|
271 | hd11 1.09 109.47 4*x31 -60. .0737 1 14 0 0 0
|
---|
272 | hd12 1.09 109.47 60. .0737 1 14 0 0 0
|
---|
273 | hd13 1.09 109.47 180. .0737 1 14 0 0 0
|
---|
274 | c 1.53 109.7 2*phi 180. .5678 8 3 -19 0 0
|
---|
275 | o 1.24 120.95 180. -.5591 11 -18 0 0 0
|
---|
276 | #leu 19 18
|
---|
277 | n 1.32 115.41 3*psi 180. -.2155 13 0 2 3 0
|
---|
278 | h 1. 122.97 0. .2023 4 1 0 0 0
|
---|
279 | ca 1.47 120.93 1*omg 180. -.0664 7 1 4 5 18
|
---|
280 | ha 1.09 109.433 -59.93 .0711 1 3 0 0 0
|
---|
281 | cb 1.52 109.47 60. -.1444 7 3 6 7 8
|
---|
282 | hb1 1.09 109.47 -60. .0712 1 5 0 0 0
|
---|
283 | hb2 1.09 109.47 60. .0712 1 5 0 0 0
|
---|
284 | cg 1.52 109.47 4*x1 180. -.0579 7 5 9 10 14
|
---|
285 | hg 1.09 109.47 60. .0702 1 8 0 0 0
|
---|
286 | cd1 1.52 109.47 4*x2 180. -.2259 7 8 11 12 13
|
---|
287 | hd11 1.09 109.47 4*x31 -60. .0735 1 10 0 0 0
|
---|
288 | hd12 1.09 109.47 60. .0735 1 10 0 0 0
|
---|
289 | hd13 1.09 109.47 180. .0735 1 10 0 0 0
|
---|
290 | cd2 1.52 109.47 -60. -.2259 7 8 15 16 17
|
---|
291 | hd21 1.09 109.47 4*x32 -60. .0735 1 14 0 0 0
|
---|
292 | hd22 1.09 109.47 60. .0735 1 14 0 0 0
|
---|
293 | hd23 1.09 109.47 180. .0735 1 14 0 0 0
|
---|
294 | c 1.53 109.7 2*phi 180. .5680 8 3 -19 0 0
|
---|
295 | o 1.24 120.95 180. -.5590 11 -18 0 0 0
|
---|
296 | #lys 21 20
|
---|
297 | n 1.32 115.41 3*psi 180. -.2155 13 0 2 3 0
|
---|
298 | h 1. 122.97 0. .2023 4 1 0 0 0
|
---|
299 | ca 1.47 120.93 1*omg 180. -.0662 7 1 4 5 20
|
---|
300 | ha 1.09 109.433 -59.93 .0711 1 3 0 0 0
|
---|
301 | cb 1.52 109.47 60. -.1430 7 3 6 7 8
|
---|
302 | hb1 1.09 109.47 -60. .0714 1 5 0 0 0
|
---|
303 | hb2 1.09 109.47 60. .0714 1 5 0 0 0
|
---|
304 | cg 1.52 109.47 4*x1 180. -.1412 7 5 9 10 11
|
---|
305 | hg1 1.09 109.47 -60. .0717 1 8 0 0 0
|
---|
306 | hg2 1.09 109.47 60. .0717 1 8 0 0 0
|
---|
307 | cd 1.52 109.47 4*x2 180. -.1301 7 8 12 13 14
|
---|
308 | hd1 1.09 109.47 -60. .0732 1 11 0 0 0
|
---|
309 | hd2 1.09 109.47 60. .0732 1 11 0 0 0
|
---|
310 | ce 1.52 109.47 4*x3 180. -.1034 7 11 15 16 17
|
---|
311 | he1 1.09 109.47 -60. .0845 1 14 0 0 0
|
---|
312 | he2 1.09 109.47 60. .0845 1 14 0 0 0
|
---|
313 | nz 1.48 109.47 4*x4 180. -.6640 14 14 18 19 0
|
---|
314 | hz1 1.02 120. 6*x5 180. .2897 3 17 0 0 0
|
---|
315 | hz2 1.02 120. 0. .2897 3 17 0 0 0
|
---|
316 | c 1.53 109.7 2*phi 180. .5680 8 3 -21 0 0
|
---|
317 | o 1.24 120.95 180. -.5590 11 -20 0 0 0
|
---|
318 | #lys+ 22 21
|
---|
319 | n 1.32 115.41 3*psi 180. -.2155 13 0 2 3 0
|
---|
320 | h 1. 122.97 0. .2023 4 1 0 0 0
|
---|
321 | ca 1.47 120.93 1*omg 180. -.0662 7 1 4 5 21
|
---|
322 | ha 1.09 109.433 -59.93 .0711 1 3 0 0 0
|
---|
323 | cb 1.52 109.47 60. -.1426 7 3 6 7 8
|
---|
324 | hb1 1.09 109.47 -60. .0715 1 5 0 0 0
|
---|
325 | hb2 1.09 109.47 60. .0715 1 5 0 0 0
|
---|
326 | cg 1.52 109.47 4*x1 180. -.1386 7 5 9 10 11
|
---|
327 | hg1 1.09 109.47 -60. .0720 1 8 0 0 0
|
---|
328 | hg2 1.09 109.47 60. .0720 1 8 0 0 0
|
---|
329 | cd 1.52 109.47 4*x2 180. -.1101 7 8 12 13 14
|
---|
330 | hd1 1.09 109.47 -60. .0759 1 11 0 0 0
|
---|
331 | hd2 1.09 109.47 60. .0759 1 11 0 0 0
|
---|
332 | ce 1.52 109.47 4*x3 180. .2225 7 11 15 16 17
|
---|
333 | he1 1.09 109.47 -60. .1049 1 14 0 0 0
|
---|
334 | he2 1.09 109.47 60. .1049 1 14 0 0 0
|
---|
335 | nz 1.48 109.47 4*x4 180. -.9253 13 14 18 19 20
|
---|
336 | hz1 1.02 109.47 7*x5 180. .4816 3 17 0 0 0
|
---|
337 | hz2 1.02 109.47 -60. .4816 3 17 0 0 0
|
---|
338 | hz3 1.02 109.47 60. .4816 3 17 0 0 0
|
---|
339 | c 1.53 109.7 2*phi 180. .5680 8 3 -22 0 0
|
---|
340 | o 1.24 120.95 180. -.5590 11 -21 0 0 0
|
---|
341 | #met 17 16
|
---|
342 | n 1.32 115.41 3*psi 180. -.2154 13 0 2 3 0
|
---|
343 | h 1. 122.97 0. .2023 4 1 0 0 0
|
---|
344 | ca 1.47 120.93 1*omg 180. -.0659 7 1 4 5 16
|
---|
345 | ha 1.09 109.433 -59.93 .0711 1 3 0 0 0
|
---|
346 | cb 1.52 109.47 60. -.1409 7 3 6 7 8
|
---|
347 | hb1 1.09 109.47 -60. .0717 1 5 0 0 0
|
---|
348 | hb2 1.09 109.47 60. .0717 1 5 0 0 0
|
---|
349 | cg 1.52 109.47 4*x1 180. -.1354 7 5 9 10 11
|
---|
350 | hg1 1.09 109.47 -60. .0739 1 8 0 0 0
|
---|
351 | hg2 1.09 109.47 60. .0739 1 8 0 0 0
|
---|
352 | sd 1.82 109.47 4*x2 180. -.0296 16 8 12 0 0
|
---|
353 | ce 1.82 120. 13*x3 180. -.2162 7 11 13 14 15
|
---|
354 | he1 1.09 109.47 13*x4 -60. .0766 1 12 0 0 0
|
---|
355 | he2 1.09 109.47 60. .0766 1 12 0 0 0
|
---|
356 | he3 1.09 109.47 180. .0766 1 12 0 0 0
|
---|
357 | c 1.53 109.7 2*phi 180. .5680 8 3 -17 0 0
|
---|
358 | o 1.24 120.95 180. -.5590 11 -16 0 0 0
|
---|
359 | #phe 20 19
|
---|
360 | n 1.32 115.41 3*psi 180. -.2164 13 0 2 3 0
|
---|
361 | h 1. 122.97 0. .2018 4 1 0 0 0
|
---|
362 | ca 1.47 120.93 1*omg 180. -.0834 7 1 4 5 19
|
---|
363 | ha 1.09 109.433 -59.93 .0692 1 3 0 0 0
|
---|
364 | cb 1.52 109.47 60. -.0099 7 3 6 7 8
|
---|
365 | hb1 1.09 109.47 -60. .0555 1 5 0 0 0
|
---|
366 | hb2 1.09 109.47 60. .0555 1 5 0 0 0
|
---|
367 | cg 1.52 109.47 4*x1 180. -.0644 9 5 -9 17 0
|
---|
368 | cd1 1.37 120. 12*x2 180. -.1375 9 -8 10 11 0
|
---|
369 | hd1 1.09 120. 0. .1313 2 9 0 0 0
|
---|
370 | ce1 1.37 120. 180. -.1330 9 9 12 -13 0
|
---|
371 | he1 1.09 120. 180. .1322 2 11 0 0 0
|
---|
372 | cz 1.37 120. 0. -.1326 9 -11 14 15 0
|
---|
373 | hz 1.09 120. 180. .1323 2 13 0 0 0
|
---|
374 | ce2 1.37 120. 0. -.1330 9 13 16 -17 0
|
---|
375 | he2 1.09 120. 180. .1322 2 15 0 0 0
|
---|
376 | cd2 1.37 120. 0. -.1375 9 -15 18 8 0
|
---|
377 | hd2 1.09 120. 180. .1313 2 17 0 0 0
|
---|
378 | c 1.53 109.7 2*phi 180. .5660 8 3 -20 0 0
|
---|
379 | o 1.24 120.95 180. -.5596 11 -19 0 0 0
|
---|
380 | #pro 14 13
|
---|
381 | n 1.36 115. 3*psi 180. -.0210 13 0 2 10 0
|
---|
382 | ca 1.453 121. 1*omg 180. -.0681 7 1 3 4 13
|
---|
383 | ha 1.09 110.124 42.356 .0704 1 2 0 0 0
|
---|
384 | cb 1.52 105. 162.578 -.1437 7 2 5 6 7
|
---|
385 | hb1 1.09 111.001 139.235 .0712 1 4 0 0 0
|
---|
386 | hb2 1.09 111.001 -101.895 .0712 1 4 0 0 0
|
---|
387 | cg 1.52 105.9 18.67 -.1409 7 4 8 9 10
|
---|
388 | hg1 1.09 110.49 106.87 .0716 1 7 0 0 0
|
---|
389 | hg2 1.09 110.49 -134.91 .0716 1 7 0 0 0
|
---|
390 | cd 1.52 107.9 -14.02 -.1355 7 7 11 12 1
|
---|
391 | hd1 1.09 111.315 124.178 .0738 1 10 0 0 0
|
---|
392 | hd2 1.09 111.315 -116.538 .0738 1 10 0 0 0
|
---|
393 | c 1.53 111. -75. .5661 8 2 -14 0 0
|
---|
394 | o 1.24 120.95 180. -.5605 11 -13 0 0 0
|
---|
395 | #ser 11 10
|
---|
396 | n 1.32 115.41 3*psi 180. -.2145 13 0 2 3 0
|
---|
397 | h 1. 122.97 0. .2027 4 1 0 0 0
|
---|
398 | ca 1.47 120.93 1*omg 180. -.0506 7 1 4 5 10
|
---|
399 | ha 1.09 109.433 -59.93 .0728 1 3 0 0 0
|
---|
400 | cb 1.52 109.47 60. -.0486 7 3 6 7 8
|
---|
401 | hb1 1.09 109.47 -60. .0859 1 5 0 0 0
|
---|
402 | hb2 1.09 109.47 60. .0859 1 5 0 0 0
|
---|
403 | og 1.43 109.47 4*x1 180. -.5054 10 5 9 0 0
|
---|
404 | hg .97 107. 5*x2 180. .3604 5 8 0 0 0
|
---|
405 | c 1.53 109.7 2*phi 180. .5698 8 3 -11 0 0
|
---|
406 | o 1.24 120.95 180. -.5584 11 -10 0 0 0
|
---|
407 | #thr 14 13
|
---|
408 | n 1.32 115.41 3*psi 180. -.2147 13 0 2 3 0
|
---|
409 | h 1. 122.97 0. .2026 4 1 0 0 0
|
---|
410 | ca 1.47 120.93 1*omg 180. -.0541 7 1 4 5 13
|
---|
411 | ha 1.09 109.433 -59.93 .0724 1 3 0 0 0
|
---|
412 | cb 1.52 109.47 60. .0375 7 3 6 7 9
|
---|
413 | hb 1.09 109.47 -60. .0827 1 5 0 0 0
|
---|
414 | og1 1.43 109.47 4*x1 180. -.5091 10 5 8 0 0
|
---|
415 | hg1 .97 107. 5*x21 180. .3597 5 7 0 0 0
|
---|
416 | cg2 1.52 109.47 60. -.2140 7 5 10 11 12
|
---|
417 | hg21 1.09 109.47 4*x22 60. .0754 1 9 0 0 0
|
---|
418 | hg22 1.09 109.47 -60. .0754 1 9 0 0 0
|
---|
419 | hg23 1.09 109.47 180. .0754 1 9 0 0 0
|
---|
420 | c 1.53 109.7 2*phi 180. .5694 8 3 -14 0 0
|
---|
421 | o 1.24 120.95 180. -.5586 11 -13 0 0 0
|
---|
422 | #trp 24 23
|
---|
423 | n 1.32 115.41 3*psi 180. -.2164 13 0 2 3 0
|
---|
424 | h 1. 122.97 0. .2018 4 1 0 0 0
|
---|
425 | ca 1.47 120.93 1*omg 180. -.0834 7 1 4 5 23
|
---|
426 | ha 1.09 109.433 -59.93 .0692 1 3 0 0 0
|
---|
427 | cb 1.52 109.47 60. -.0101 7 3 6 7 8
|
---|
428 | hb1 1.09 109.47 -60. .0555 1 5 0 0 0
|
---|
429 | hb2 1.09 109.47 60. .0555 1 5 0 0 0
|
---|
430 | cg 1.54 109.47 4*x1 180. -.1137 9 5 -9 22 0
|
---|
431 | cd1 1.37 126.5 12*x2 180. -.0999 9 -8 10 11 0
|
---|
432 | hd1 1.09 125.89 0. .1320 2 9 0 0 0
|
---|
433 | ne1 1.39 108.22 180. -.2115 13 9 12 13 0
|
---|
434 | he1 1.02 125.22 180. .2480 4 11 0 0 0
|
---|
435 | ce2 1.39 109.56 0. .0276 9 11 14 -22 0
|
---|
436 | cz2 1.37 131.78 180. -.1497 9 13 15 -16 0
|
---|
437 | hz2 1.09 120. 0. .1320 2 14 0 0 0
|
---|
438 | ch2 1.37 120. 180. -.1392 9 -14 17 18 0
|
---|
439 | hh2 1.09 120. 180. .1323 2 16 0 0 0
|
---|
440 | cz3 1.37 120. 0. -.1437 9 16 19 -20 0
|
---|
441 | hz3 1.09 120. 180. .1323 2 18 0 0 0
|
---|
442 | ce3 1.37 120. 0. -.1419 9 -18 21 22 0
|
---|
443 | he3 1.09 120. 180. .1319 2 20 0 0 0
|
---|
444 | cd2 1.37 120. 0. -.0150 9 20 8 -13 0
|
---|
445 | c 1.53 109.7 2*phi 180. .5660 8 3 -24 0 0
|
---|
446 | o 1.24 120.95 180. -.5596 11 -23 0 0 0
|
---|
447 | #tyr 21 20
|
---|
448 | n 1.32 115.41 3*psi 180. -.2164 13 0 2 3 0
|
---|
449 | h 1. 122.97 0. .2018 4 1 0 0 0
|
---|
450 | ca 1.47 120.93 1*omg 180. -.0834 7 1 4 5 20
|
---|
451 | ha 1.09 109.433 -59.93 .0692 1 3 0 0 0
|
---|
452 | cb 1.52 109.47 60. -.0099 7 3 6 7 8
|
---|
453 | hb1 1.09 109.47 -60. .0555 1 5 0 0 0
|
---|
454 | hb2 1.09 109.47 60. .0555 1 5 0 0 0
|
---|
455 | cg 1.52 109.47 4*x1 180. -.0643 9 5 -9 18 0
|
---|
456 | cd1 1.37 120. 12*x2 180. -.1371 9 -8 10 11 0
|
---|
457 | hd1 1.09 120. 0. .1313 2 9 0 0 0
|
---|
458 | ce1 1.37 120. 180. -.1297 9 9 12 -13 0
|
---|
459 | he1 1.09 120. 180. .1330 2 11 0 0 0
|
---|
460 | cz 1.37 120. 0. .0813 9 -11 14 16 0
|
---|
461 | oh 1.38 120. 180. -.4579 10 13 15 0 0
|
---|
462 | hh .97 107. 15*x6 180. .3672 5 14 0 0 0
|
---|
463 | ce2 1.37 120. 0. -.1297 9 13 17 -18 0
|
---|
464 | he2 1.09 120. 180. .1330 2 16 0 0 0
|
---|
465 | cd2 1.37 120. 0. -.1371 9 -16 19 8 0
|
---|
466 | hd2 1.09 120. 180. .1313 2 18 0 0 0
|
---|
467 | c 1.53 109.7 2*phi 180. .5660 8 3 -21 0 0
|
---|
468 | o 1.24 120.95 180. -.5596 11 -20 0 0 0
|
---|
469 | #val 16 15
|
---|
470 | n 1.32 115.41 3*psi 180. -.2155 13 0 2 3 0
|
---|
471 | h 1. 122.97 0. .2023 4 1 0 0 0
|
---|
472 | ca 1.47 120.93 1*omg 180. -.0675 7 1 4 5 15
|
---|
473 | ha 1.09 109.433 -59.93 .0709 1 3 0 0 0
|
---|
474 | cb 1.52 109.47 60. -.0583 7 3 6 7 11
|
---|
475 | hb 1.09 109.47 60. .0702 1 5 0 0 0
|
---|
476 | cg1 1.52 109.47 4*x1 180. -.2259 7 5 8 9 10
|
---|
477 | hg11 1.09 109.47 4*x21 -60. .0735 1 7 0 0 0
|
---|
478 | hg12 1.09 109.47 60. .0735 1 7 0 0 0
|
---|
479 | hg13 1.09 109.47 180. .0735 1 7 0 0 0
|
---|
480 | cg2 1.52 109.47 -60. -.2259 7 5 12 13 14
|
---|
481 | hg21 1.09 109.47 4*x22 -60. .0735 1 11 0 0 0
|
---|
482 | hg22 1.09 109.47 60. .0735 1 11 0 0 0
|
---|
483 | hg23 1.09 109.47 180. .0735 1 11 0 0 0
|
---|
484 | c 1.53 109.7 2*phi 180. .5678 8 3 -16 0 0
|
---|
485 | o 1.24 120.95 180. -.5591 11 -15 0 0 0
|
---|
486 | #nh1 2 1 # only for Pro & Hyp
|
---|
487 | n 1.47 109.7 180. .0 13 0 2 0 0
|
---|
488 | h 1.02 123.491 -75.02 .0 4 1 0 0 0
|
---|
489 | #nh2 3 1
|
---|
490 | n 1.47 109.7 3*psi 180. .0 14 0 2 3 0
|
---|
491 | h1 1.02 120. 6*phi 180. .0 4 1 0 0 0
|
---|
492 | h2 1.02 120. 0. .0 4 1 0 0 0
|
---|
493 | #nh2+ 3 1 # only for Pro & Hyp
|
---|
494 | n 1.47 109.7 180. .0 13 0 2 3 0
|
---|
495 | h1 1.02 109.208 -133.247 .0 3 1 0 0 0
|
---|
496 | h2 1.02 109.208 -16.793 .0 3 1 0 0 0
|
---|
497 | #nh3+ 4 1
|
---|
498 | n 1.47 109.7 3*psi 180. .0 13 0 2 3 4
|
---|
499 | h1 1.02 109.47 7*phi 180. .0 3 1 0 0 0
|
---|
500 | h2 1.02 109.47 60. .0 3 1 0 0 0
|
---|
501 | h3 1.02 109.47 -60. .0 3 1 0 0 0
|
---|
502 | #cooh 4 1
|
---|
503 | c 1.53 109.7 2*phi 180. .0 8 0 -2 3 0
|
---|
504 | o 1.24 120.95 0. .0 11 -1 0 0 0
|
---|
505 | oxt 1.29 115. 9*pst 180. .0 10 1 4 0 0
|
---|
506 | hxt .97 107. 16*omt 180. .0 5 3 0 0 0
|
---|
507 | #coo- 3 1
|
---|
508 | c 1.53 109.7 2*phi 180. .0 9 0 -2 -3 0
|
---|
509 | o 1.24 120. 0. .0 12 -1 0 0 0
|
---|
510 | oxt 1.24 120. 10*pst 180. .0 12 -1 0 0 0
|
---|