*HEADER    TOXIN                                   29-DEC-08   2KCR              
*TITLE     SOLUTION STRUCTURE OF ANNTOXIN                                        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ANNTOXIN;                                                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HYLA ANNECTANS;                                 
*SOURCE   3 ORGANISM_TAXID: 317325;                                              
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   7 EXPRESSION_SYSTEM_PLASMID: PET32A+                                   
*KEYWDS    PROTEIN, TOXIN                                                        
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    J.HONG, D.YOU, R.LAI, D.LIN                                           
*REVDAT   2   14-JUL-09 2KCR    1 ADDED CONSTRAINTS FILE 
*REVDAT   1   16-JUN-09 2KCR    0                                                


 Assignment w1 w2     distance
1 P1HB3-HD2 2.437 3.372 3.58
2 P1HB3-HG3 2.431 2.053 2.29
3 P1HD3-HG3 3.421 2.037 2.85
4 P1HD2-HG3 3.361 2.037 2.34
5 Q3HA-HB2 4.194 1.909 2.83
6 Q3HB3-HA 1.987 4.196 2.37
7 D4HA-HB2 4.432 2.606 2.49
8 D4HB3-HA 2.867 4.429 2.98
9 D4HB2-HB1 2.611 2.866 2.01
10 Y5HA-HB3 4.219 3.18 2.52
11 Y5HB3-Q8HG1 3.177 2.352 4.16
12 Y5HB3-L9HD1 3.184 0.927 2.54
13 R6HA-HB3 3.418 1.569 2.45
14 R6HA-L9HD1 3.42 0.928 2.46
15 R6HG3-HA 1.184 3.42 3.68
16 C7HA-R6HA 4.274 3.411 4.58
17 C7HA-HB2 4.274 2.708 2.49
18 C7HA-C57HB2 4.274 1.526 2.19
19 C7HB3-HA 2.971 4.271 3.02
20 C7HB2-Q3HG1 2.705 2.335 2.81
21 Q8HA-HB1 4.376 1.971 2.56
22 Q8HA-K27HE1 4.374 3.046 3.18
23 L9HA-Y5HB3 4.476 3.205 3.52
24 L9HA-HG  4.484 1.593 2.85
25 L9HD1-HA 0.902 4.479 2.02
26 L9HD1-N45HB2 0.932 2.878 2.93
27 S10HA-HB2 4.405 3.764 2.41
28 S10HB3-HA 3.883 4.405 2.49
29 S10HB3-HB2 3.883 3.767 2.01
30 R11HA-S10HA 3.595 4.402 4.39
31 R11HA-HB3 3.595 0.895 2.33
32 R11HA-HB2 3.594 0.505 2.57
33 R11HA-HG2 3.594 -0.417 3.46
34 R11HB3-HG2 0.89 -0.416 2.41
35 R11HB2-HB3 0.508 0.893 2.68
36 R11HB2-HG2 0.505 -0.417 2.02
37 R11HD3-HA 2.063 3.598 2.86
38 R11HD3-HB2 2.068 0.505 4.28
39 R11HD3-HD2 2.066 1.64 3.44
40 R11HD3-HG3 2.068 -0.024 2.03
41 R11HD3-HG2 2.067 -0.417 3.01
42 R11HD2-HB2 1.64 0.507 2.44
43 R11HD2-HG3 1.639 -0.024 2.94
44 R11HD2-HG2 1.638 -0.416 2.45
45 R11HG3-HB3 -0.025 0.892 3
46 R11HG3-HB2 -0.025 0.506 2.87
47 R11HG3-HG2 -0.026 -0.417 2.28
48 N12HA-HB3 4.81 2.656 2.01
49 N12HA-HB2 4.813 2.455 2.71
50 N12HB3-HB2 2.658 2.456 2.57
51 Y13HA-HB2 4.865 2.876 2.02
52 Y13HA-G14HA2 4.863 3.47 2.57
53 Y13HB3-HA 3.163 4.865 4.82
54 G14HA3-HA2 4.015 3.471 2.93
55 K15HA-HB3 4.599 1.682 2.03
56 K15HA-HB2 4.599 1.508 2.26
57 K15HA-HG2 4.599 1.267 2.85
58 G16HA3-HA2 4.373 3.685 3.29
59 G16HA2-K15HA 3.691 4.604 2.03
60 S17HA-HB3 4.65 3.954 4.97
61 S17HA-HB2 4.65 3.81 2.44
62 S17HA-G18HA2 4.653 3.327 2.47
63 G18HA3-HA2 3.928 3.335 4.57
64 S19HA-HB3 4.108 3.546 2.01
65 S19HA-HB2 4.109 3.391 2.37
66 S19HA-R36HA 4.111 4.51 2.53
67 S19HA-R36HB3 4.11 1.746 3.5
68 S19HA-R36HD1 4.11 2.961 2.1
69 S19HB3-HB2 3.547 3.393 3.19
70 S19HB3-R36HD1 3.546 2.962 2.03
71 S19HB2-R36HD1 3.39 2.963 2.7
72 F20HA-HB3 4.704 3.148 2.01
73 F20HA-HB2 4.708 2.908 2.92
74 T21HA-HG2 4.328 1.04 2.72
75 T21HB-HA 4.114 4.325 2.29
76 N22HA-T21HB 5.012 4.111 2.99
77 N22HA-HB3 5.009 2.76 4.61
78 N22HA-HB2 5.007 1.726 2.5
79 N22HB2-HB3 1.728 2.765 3.03
80 N22HD21-HD22 7.307 6.922 2.06
81 Y23HA-HB1 5.725 2.731 2.03
82 Y23HA-T34HB 5.726 3.989 3.03
83 Y23HA-T34HG2 5.725 0.749 3.82
84 Y23HD1-N22HA 6.681 5.014 2.34
85 Y23HD1-HB1 6.681 2.731 2.88
86 Y23HD1-K48HA 6.681 4.366 2.67
87 Y23HD1-T49HA 6.681 4.65 3.68
88 Y23HE1-T49HA 6.793 4.651 2.9
89 Y24HA-R11HA 5.141 3.595 3.01
90 Y24HA-Y23HA 5.141 5.72 5.28
91 Y24HA-HB1 5.141 2.643 4.49
92 Y24HA-Y25HB3 5.14 3.101 2.33
93 Y24HA-F47HB3 5.14 3.284 4.73
94 Y24HB1-R11HB3 2.649 0.897 4.72
95 Y24HB1-R11HB2 2.641 0.507 3.33
96 Y24HD1-R11HA 6.63 3.595 3.67
97 Y24HD1-R11HB2 6.63 0.506 3.43
98 Y24HD1-R11HD3 6.63 2.059 2.68
99 Y24HD1-R11HD2 6.63 1.639 3.24
100 Y24HD1-R11HG3 6.629 -0.025 3.21
101 Y24HD1-R11HG2 6.63 -0.419 4.02
102 Y24HD1-HA 6.631 5.14 4.07
103 Y24HD1-HB1 6.632 2.643 3.99
104 Y24HD1-Y25HA 6.631 4.396 2.42
105 Y24HE1-R11HB3 6.829 0.92 4.53
106 Y24HE1-R11HB2 6.836 0.507 2.85
107 Y24HE1-R11HD3 6.835 2.06 3.24
108 Y24HE1-R11HD2 6.835 1.636 2.82
109 Y24HE1-R11HG3 6.837 -0.023 2.05
110 Y24HE1-R11HG2 6.836 -0.42 3.52
111 Y24HE1-HD1 6.835 6.629 4.14
112 Y24HE1-D26HA 6.834 4.523 2.42
113 Y24HE1-D26HB2 6.832 1.876 3.14
114 Y25HA-C32HA 4.395 5.428 2.62
115 Y25HE1-HD1 7.184 6.942 2.07
116 Y25HE1-HD1 7.184 6.942 3.11
117 D26HA-HB3 4.524 2.812 2.46
118 D26HA-HB2 4.522 1.869 3.02
119 D26HB2-HB3 1.876 2.809 2.48
120 D26HB2-C32HA 1.877 5.427 2.06
121 K27HA-HB3 3.707 1.984 4.78
122 K27HA-HB2 3.707 1.857 2.26
123 K27HA-HE1 3.708 3.044 3.64
124 K27HA-HG1 3.706 1.529 3.08
125 K27HB3-HG1 1.986 1.541 2.71
126 K27HB2-HA 1.858 3.707 2.87
127 K27HE1-HB3 3.042 1.984 3.15
128 K27HE1-HG1 3.043 1.535 2.22
129 A28HA-HB 4.109 1.512 2.11
130 S30HB3-HB2 4.123 4.024 2.06
131 S30HB2-T29HA 4.024 4.421 4.31
132 S31HA-HB3 4.726 3.7 2.35
133 S31HB3-V58HG1 3.708 0.97 3.65
134 C32HA-Y25HB3 5.433 3.102 4.58
135 C32HA-Y25HB2 5.432 2.787 3.83
136 C32HA-HB3 5.432 3.404 2.58
137 C32HA-HB2 5.432 2.53 2.98
138 C32HA-L50HB2 5.432 1.212 4.62
139 C32HB3-Y23HB1 3.405 2.722 3.82
140 C32HB3-HB2 3.403 2.53 2.06
141 C32HB3-L50HB3 3.398 1.323 4.25
142 C32HB2-L50HD2 2.522 0.759 2.75
143 K33HA-HB1 4.803 1.228 2.57
144 K33HA-HD2 4.801 1.554 2.1
145 K33HA-HE1 4.802 2.903 2.65
146 K33HA-HG3 4.802 1.646 3.27
147 K33HE1-HD3 2.902 1.991 2.96
148 K33HE1-HD2 2.903 1.556 2.55
149 K33HE1-HG3 2.907 1.64 2.51
150 K33HG2-HA 1.173 4.802 3.52
151 T34HA-Y23HA 5.028 5.724 2.06
152 T34HA-K33HE1 5.026 2.901 4.03
153 T34HA-HB 5.028 3.991 2.56
154 T34HA-HG2 5.028 0.747 2.32
155 T34HB-T21HA 3.994 4.335 3.96
156 T34HB-T21HG2 3.993 1.039 2.56
157 T34HB-HG2 3.993 0.747 2.42
158 F35HA-T34HB 4.959 3.988 3.85
159 F35HA-HB2 4.953 2.654 2.37
160 F35HA-R36HA 4.959 4.511 4.25
161 F35HA-R36HB2 4.958 1.502 4.52
162 F35HB3-HA 3.305 4.956 2.53
163 F35HD1-T34HA 7.067 5.023 2.06
164 F35HD1-T34HA 7.067 5.023 3
165 F35HD1-T34HB 7.066 3.988 3.97
166 F35HD1-T34HG2 7.067 0.753 4.39
167 F35HD1-HE1 7.067 7.305 2.46
168 F35HD1-Y37HB2 7.067 2.429 4.06
169 F35HE1-Y23HA 7.308 5.725 4.21
170 F35HE1-Y37HA 7.309 4.905 3.88
171 F35HE1-Y37HB2 7.309 2.427 3.28
172 R36HA-T21HA 4.51 4.335 2.68
173 R36HA-HB3 4.511 1.745 2.51
174 R36HA-HG2 4.509 1.324 3.01
175 R36HB2-S19HB3 1.503 3.545 4.14
176 R36HD1-HA 2.963 4.522 2.79
177 R36HG2-F35HA 1.332 4.95 3.75
178 Y37HA-R36HB2 4.903 1.5 4.82
179 Y37HA-HB3 4.903 2.708 3.01
180 Y37HA-HB2 4.902 2.422 2.37
181 Y37HB3-HB2 2.703 2.432 2.06
182 Y37HB2-F20HB3 2.432 3.153 4.64
183 Y37HB2-N22HB2 2.426 1.707 2.33
184 Y37HB2-R46HB1 2.433 1.446 4.36
185 Y37HB2-R46HG3 2.429 1.106 3.62
186 R38HD1-HG1 3.2 1.599 2.76
187 S40HA-G41HA3 4.85 4.033 4.56
188 S40HA-G41HA2 4.849 3.913 4.43
189 S40HB3-HA 3.735 4.847 2.95
190 S40HB2-HA 3.697 4.847 2.47
191 R46HA-HB1 4.771 1.457 2.37
192 R46HA-HG3 4.775 1.125 2.84
193 R46HA-F47HA 4.781 4.957 4.41
194 F47HA-R46HG2 4.958 1.04 3.58
195 F47HA-HB3 4.958 3.307 2.57
196 F47HA-K48HD3 4.958 1.648 3.67
197 F47HB3-Y23HB1 3.292 2.735 2.9
198 F47HB3-HB2 3.313 2.893 2.06
199 F47HB3-C53HA 3.291 1.883 3.98
200 F47HB2-HA 2.891 4.959 3.01
201 F47HD1-HB3 6.934 3.317 2.69
202 F47HE1-HA 7.56 4.957 4.49
203 K48HA-N22HA 4.362 5.001 3.66
204 K48HA-HD2 4.363 1.583 2.39
205 K48HB3-HA 2.046 4.362 2.51
206 K48HB2-HA 1.775 4.366 3
207 K48HB2-T49HG2 1.774 1.212 3.25
208 K48HD3-HA 1.668 4.363 3.05
209 T49HA-HB 4.652 4.488 2.46
210 T49HB-E51HG2 4.484 2.192 1.93
211 T49HG2-HA 1.218 4.65 2.99
212 L50HA-HB3 2.906 1.323 2.88
213 L50HD1-E51HG2 0.787 2.186 4.21
214 L50HD2-E54HB2 0.757 1.835 3.58
215 L50HD2-E54HG1 0.757 1.925 3.04
216 E51HA-L50HD2 3.876 0.777 3.58
217 E51HA-HB3 3.877 1.957 2.43
218 E51HA-HB2 3.877 1.839 2.47
219 E51HA-E54HB3 3.877 2.503 3.79
220 E51HB3-HG2 1.96 2.189 2.43
221 E51HB2-HG3 1.84 2.4 2.46
222 E51HG3-HG2 2.395 2.19 2.06
223 E51HG2-T49HG2 2.188 1.206 4.57
224 D52HA-HB2 4.358 2.751 2.64
225 C53H-HB3 7.047 3.044 2.25
226 C53HA-HB2 1.884 2.677 2.33
227 C53HB3-C32HB2 3.04 2.534 3.12
228 C53HB3-L50HD2 3.039 0.76 3.6
229 C53HB3-HA 3.041 1.877 3
230 C53HB3-HB2 3.038 2.675 2.06
231 E54HA-L50HD2 3.631 0.76 4.09
232 E54HA-HB3 3.631 2.505 2.54
233 E54HA-HB2 3.632 1.837 2.37
234 E54HA-V58HB 3.63 2.181 2.73
235 E54HA-V58HG1 3.631 0.968 2.25
236 E54HB3-V58HB 2.507 2.185 3.72
237 E54HB2-HB3 1.837 2.505 2.05
238 E54HB2-A55H 1.838 8.288 3.82
239 E54HB2-A55HA 1.838 3.998 4.65
240 E54HG1-HB3 1.929 2.505 2.39
241 A55HA-E54HG1 3.998 1.932 4.24
242 A55HB-D52HA 1.398 4.353 2.6
243 A55HB-H  1.399 8.286 2.5
244 A55HB-T56HB 1.399 3.72 4.25
245 T56HG2-C53HA 1.193 1.887 3.06
246 T56HG2-HB 1.192 3.722 2.46
247 C57HA-Q3HG1 4.713 2.325 3.95
248 C57HA-C7HA 4.715 4.275 3.25
249 C57HA-C7HB2 4.701 2.719 2.45
250 C57HA-HB3 4.714 1.821 3.02
251 C57HA-HB2 4.714 1.528 2.46
252 V58HA-HB 4.133 2.18 3
253 V58HA-HG1 4.132 0.962 2.1
254 V58HG1-E54HB3 0.974 2.509 2.89
255 V58HG1-HB 0.957 2.181 1.99
256 T59HA-V58HG1 4.268 0.956 3.14
257 T59HA-HG2 4.268 1.089 2.44
258 T59HB-HA 4.173 4.265 2.42
259 E61HA-HG2 4.092 2.199 2.66
260 E61HG3-HA 2.022 4.085 3.21
261 E61HG2-T59HA 2.192 4.27 4.49
262 E61HG2-HG3 2.195 2.029 2.06
263 Q3H-HA  8.47 4.207 2.79
264 Q3H-HB2  8.469 1.918 3.1
265 Q3H-HG1  8.47 2.336 2.83
266 Q3H-D4H  8.467 8.219 3.18
267 Q3HE21-HE22 7.564 6.536 2.03
268 D4H-Q3HA 8.218 4.208 3.47
269 D4H-Q3HB3 8.218 1.995 3.21
270 D4H-HA  8.219 4.442 2.78
271 D4H-HB3  8.218 2.873 3.01
272 D4H-HB2  8.218 2.619 3.23
273 Y5H-D4HB2 8.698 2.616 3.35
274 Y5H-HA  8.699 4.229 2.91
275 R6H-HA  8.719 3.429 2.81
276 R6H-HB3  8.719 1.577 2.53
277 R6H-HG3  8.719 1.18 3.23
278 R6H-HG2  8.719 1.085 2.15
279 R6H-C7H  8.72 7.509 2.65
280 C7H-R6HA 7.513 3.422 3.38
281 C7H-R6HG3 7.508 1.196 2.91
282 C7H-R6HG2 7.503 1.085 3.2
283 C7H-HA  7.51 4.275 2.93
284 C7H-HB3  7.509 2.974 2.6
285 C7H-HB2  7.509 2.716 2.81
286 C7H-Q8HG1 7.509 2.353 3.1
287 Q8H-C7HA 7.414 4.275 3.12
288 Q8H-HA  7.412 4.383 2.88
289 Q8HE21-HE22 7.402 6.846 2.03
290 L9H-Y5HA 7.125 4.232 3.42
291 L9H-Y5HB3 7.125 3.189 3.37
292 L9H-Q8H  7.127 7.417 2.63
293 L9H-Q8HA 7.126 4.383 3.52
294 L9H-Q8HG1 7.127 2.361 2.86
295 L9H-HA  7.128 4.484 2.37
296 L9H-HD1  7.128 0.926 3.22
297 L9H-HG  7.127 1.601 2.93
298 S10H-L9HA 8.747 4.486 2.84
299 S10H-L9HB3 8.746 1.878 2.04
300 S10H-L9HD1 8.747 0.914 2.93
301 S10H-HA  8.743 4.416 2.85
302 S10H-HB3 8.746 3.902 3.04
303 R11H-S10HA 8.381 4.416 2.34
304 R11H-S10HB2 8.381 3.781 2.98
305 R11H-HA  8.38 3.602 2.83
306 R11H-HB3 8.381 0.903 2.95
307 R11H-HG2 8.379 -0.408 2.14
308 N12H-R11HA 8.312 3.602 3.12
309 N12H-R11HB2 8.326 0.521 2.41
310 N12H-R11HG3 8.322 -0.007 2.75
311 N12H-R11HG2 8.317 -0.406 3.27
312 N12H-HB3 8.311 2.658 3.15
313 N12H-HB2 8.308 2.468 3.25
314 N12HD21-HB3 7.444 2.664 3.19
315 N12HD21-HB2 7.443 2.461 2.26
316 N12HD21-HD22 7.441 6.999 2.03
317 N12HD22-HB2 7 2.464 3.49
318 Y13H-N12HB3 9.093 2.662 2.73
319 Y13H-N12HB2 9.092 2.459 2.93
320 Y13H-HA  9.092 4.877 2.88
321 Y13H-HB3 9.093 3.182 3.08
322 Y13H-HB2 9.094 2.886 3.22
323 Y13H-G14H 9.093 7.982 2.7
324 G14H-Y13HA 7.992 4.875 3.48
325 G14H-Y13HB3 7.992 3.193 2.15
326 G14H-Y13HB2 7.986 2.89 3.22
327 G14H-HA3 7.994 4.012 2.67
328 G14H-HA2 7.994 3.483 2.75
329 K15H-HA   8.705 4.608 2.88
330 K15H-HB2 8.705 1.514 3.13
331 K15H-HG3 8.694 1.328 2.92
332 K15H-HG2 8.696 1.269 1.97
333 K15H-G16H 8.706 8.354 2.95
334 G16H-K15HA 8.347 4.609 3.47
335 G16H-K15HB3 8.347 1.694 3.28
336 G16H-K15HG2 8.347 1.267 3.42
337 G16H-HA3 8.349 4.364 2.86
338 G16H-HA2 8.345 3.701 2.64
339 G16H-R38HG1 8.351 1.591 3.15
340 S17H-G16HA3 8.576 4.377 2.98
341 S17H-G16HA2 8.581 3.7 2.57
342 S17H-HA  8.585 4.672 2.89
343 S17H-HB3 8.577 3.968 3.24
344 S17H-G18H 8.583 8.199 2.6
345 S17H-R38HA 8.583 4.285 3.12
346 G18H-S17HA 8.197 4.661 3.38
347 G18H-S17HB2 8.208 3.834 3.15
348 G18H-HA3 8.2 3.928 2.61
349 G18H-HA2 8.198 3.347 2.86
350 G18H-S19H 8.201 7.55 2.83
351 S19H-G18HA3 7.546 3.929 3.09
352 S19H-G18HA2 7.551 3.351 2.91
353 S19H-HA  7.554 4.121 2.58
354 S19H-HB3 7.546 3.56 3.06
355 F20H-S19HA 8.642 4.119 2.15
356 F20H-S19HB2 8.642 3.407 3.17
357 F20H-HA  8.643 4.719 2.91
358 F20H-HB3 8.643 3.164 3.21
359 F20H-HB2 8.644 2.911 2.88
360 T21H-F20HA 9.177 4.716 3.36
361 T21H-F20HB3 9.179 3.161 2.6
362 T21H-F20HB2 9.18 2.898 3.33
363 T21H-HA  9.176 4.344 2.51
364 N22H-T21HA 8.895 4.338 2.17
365 N22H-T21HG2 8.894 1.047 3.33
366 N22H-HA  8.891 5.015 2.94
367 N22H-HB2 8.894 1.736 2.64
368 Y23H-N22HA 9.425 5.011 2.59
369 Y23H-N22HB3 9.426 2.766 2.29
370 Y23H-HA  9.431 5.726 2.92
371 Y23H-HD1 9.425 6.682 2.15
372 Y23HD1-HA 6.682 5.727 3.54
373 Y24H-Y23HA 9.797 5.726 2.3
374 Y24H-HA  9.8 5.145 2.91
375 Y24H-K33H 9.797 8.85 2.98
376 Y24H-T34HA 9.799 5.032 2.93
377 Y25H-Y24HA 10.495 5.145 2.24
378 Y25H-Y24HB1 10.495 2.649 3.14
379 Y25H-HA  10.491 4.394 2.85
380 Y25H-HB3 10.494 3.115 2.57
381 Y25H-HB2 10.493 2.79 2.71
382 D26H-Y25HA 8.66 4.393 2.14
383 D26H-HB3 8.657 2.82 2.65
384 D26H-HB2 8.66 1.876 3
385 D26H-C32HA 8.658 5.433 2.77
386 K27H-D26HA 8.316 4.537 2.15
387 K27H-HA  8.317 3.714 2.85
388 K27H-HB3 8.316 1.989 3.42
389 K27H-HB2 8.315 1.861 3.09
390 K27H-HE1 8.305 3.06 3.43
391 A28H-K27HA 8.218 3.715 3.23
392 A28H-HA  8.216 4.152 2.92
393 A28H-HB3 8.217 1.532 2.56
394 A28H-T29H 8.218 7.009 2.24
395 A28H-T29HG2 8.218 1.091 3.38
396 A28H-S30H 8.217 7.757 3.41
397 T29H-K27HA 7.01 3.715 3.48
398 T29H-A28HA 7.014 4.15 3.32
399 T29H-A28HB 7.01 1.532 3.36
400 T29H-HA  7.013 4.44 2.93
401 T29H-HG2 7.009 1.085 2.23
402 S30H-K27HA 7.755 3.716 2.88
403 S30H-T29HA 7.756 4.437 3.26
404 S30H-T29HG2 7.756 1.086 3.36
405 S30H-HA  7.756 3.881 2.27
406 S30H-HB2 7.759 4.038 3.3
407 S30H-S31H 7.755 7.322 2.72
408 S31H-S30HA 7.323 3.879 2.82
409 S31H-HA  7.322 4.736 2.86
410 C32H-S31HA 8.932 4.735 2.72
411 C32H-S31HB3 8.927 3.728 2.8
412 C32H-HA  8.929 5.434 2.93
413 C32H-HB2 8.933 2.534 2.45
414 K33H-C32HA 8.848 5.432 2.12
415 K33H-C32HB3 8.845 3.414 3.39
416 K33H-HA  8.845 4.815 2.94
417 K33H-HB1 8.847 1.235 2.7
418 T34H-K33HA 8.174 4.81 2.89
419 T34H-K33HB1 8.174 1.238 3.53
420 T34H-K33HD3 8.173 2.007 3.54
421 T34H-HA  8.172 5.032 2.94
422 F35H-T21HA 9.298 4.34 3.38
423 F35H-T21HG2 9.298 1.047 3.26
424 F35H-N22H 9.299 8.896 2.72
425 F35H-T34HA 9.298 5.032 2.5
426 F35H-T34HB 9.299 4.005 1.99
427 F35H-T34HG2 9.298 0.753 3.33
428 F35H-HA  9.297 4.972 2.79
429 F35H-HD1 9.298 7.073 2.16
430 R36H-F35HA 8.421 4.969 2.18
431 R36H-HA  8.422 4.513 2.72
432 R36H-HB3 8.422 1.751 3.49
433 R36H-HB2 8.422 1.513 2.39
434 R36H-HG2 8.421 1.333 2.04
435 Y37H-R36HA 8.674 4.514 3.41
436 Y37H-R36HB2 8.672 1.516 2.94
437 Y37H-HA  8.669 4.906 2.25
438 R38H-R36HB2 8.469 1.52 2.82
439 R38H-Y37HA 8.471 4.907 3.39
440 R38H-Y37HB3 8.469 2.725 3.25
441 R38H-HA  8.468 4.293 2.62
442 R38H-HB2 8.468 1.787 3
443 R38H-G39H 8.468 8.691 3.09
444 G39H-S40H 8.699 7.57 3.14
445 S40H-HA  7.567 4.854 2.77
446 S40H-HB3 7.568 3.753 3.02
447 S40H-HB2 7.568 3.718 3.23
448 G41H-S40H 8.916 7.569 2.98
449 G41H-S40HA 8.912 4.857 2.64
450 G41H-HA3 8.912 4.05 2.78
451 G41H-HA2 8.912 3.926 2.7
452 G42H-G41HA3 9.134 4.049 2.71
453 G42H-G41HA2 9.135 3.926 2.81
454 N43H-N12HB3 8.599 2.666 3.12
455 N43H-N12HB2 8.596 2.457 2.96
456 N43H-HB1 8.596 2.974 2.95
457 F47H-F35HE1 9.817 7.312 3.26
458 F47H-R46HG3 9.822 1.124 2.99
459 F47H-R46HG2 9.821 1.074 2.85
460 K48H-F47HA 9.85 4.96 2.18
461 K48H-HA  9.851 4.372 2.73
462 K48H-HB2 9.854 1.784 2.54
463 K48H-HD3 9.85 1.684 2.11
464 K48H-HD2 9.852 1.596 2.96
465 K48H-T49H 9.85 7.213 2.93
466 T49H-F47HB3 7.209 3.299 3.45
467 T49H-K48HA 7.213 4.37 3.54
468 T49H-K48HB3 7.214 2.047 3.46
469 T49H-K48HB2 7.213 1.768 2.57
470 T49H-HA  7.209 4.671 2.94
471 T49H-HG2 7.215 1.228 3.1
472 T49H-D52HB3 7.208 2.813 3.22
473 T49H-D52HB2 7.21 2.747 3.53
474 L50H-T49HA 8.058 4.666 2.25
475 L50H-T49HB 8.058 4.503 2.83
476 L50H-HA  8.058 2.909 2.82
477 L50H-HB3 8.058 1.332 2.07
478 L50H-HB2 8.059 1.227 3.15
479 L50H-HD1 8.058 0.823 3.32
480 E51H-T49HB 8.923 4.504 2.61
481 E51H-L50H 8.924 8.058 2.52
482 E51H-L50HA 8.923 2.911 3.45
483 E51H-L50HB3 8.925 1.332 3.26
484 E51H-L50HD1 8.925 0.808 2.57
485 E51H-HA  8.922 3.894 2.81
486 E51H-HB3 8.924 1.974 2.61
487 E51H-HG3 8.923 2.406 3.22
488 E51H-HG2 8.923 2.205 2.09
489 E51H-D52H 8.925 7.863 2.58
490 D52H-T49HB 7.864 4.502 3.35
491 D52H-E51HA 7.863 3.889 3.46
492 D52H-E51HG3 7.863 2.412 2.51
493 D52H-E51HG2 7.866 2.204 2.83
494 D52H-HA  7.865 4.365 2.89
495 D52H-HB3 7.864 2.817 2.78
496 D52H-HB2 7.864 2.752 2.39
497 D52H-C53H 7.864 7.044 2.42
498 C53H-F47HB3 7.044 3.3 3.48
499 C53H-L50HA 7.046 2.909 3.11
500 C53H-D52HB3 7.047 2.819 2.29
501 C53H-D52HB2 7.046 2.751 3.41
502 C53H-HA  7.045 1.893 2.76
503 C53H-HB2 7.046 2.671 2.74
504 E54H-L50HD2 8.842 0.763 2.91
505 E54H-C53H 8.84 7.045 2.77
506 E54H-C53HB3 8.839 3.035 2.67
507 E54H-HA  8.838 3.637 2.85
508 E54H-HB3 8.84 2.521 2.49
509 E54H-HG1 8.839 1.93 2.38
510 E54H-A55H 8.84 8.298 2.5
511 A55H-E54HG1 8.298 1.931 2.38
512 A55H-HA  8.297 4.009 2.71
513 A55H-T56H 8.298 7.185 3.13
514 T56H-A55HA 7.184 4.007 3.54
515 T56H-A55HB 7.186 1.41 2.17
516 T56H-HA  7.192 3.932 2.8
517 T56H-HB  7.184 3.731 2.68
518 T56H-HG2 7.187 1.205 2.03
519 C57H-E54HA 7.657 3.638 3.51
520 C57H-T56H 7.658 7.188 2.79
521 C57H-T56HA 7.658 3.931 3.55
522 C57H-T56HG2 7.658 1.202 2.6
523 C57H-HA  7.659 4.72 2.88
524 C57H-HB3 7.66 1.823 2.52
525 C57H-HB2 7.658 1.543 2.62
526 V58H-E54HA 8.256 3.634 2.18
527 V58H-C57H 8.253 7.661 2.89
528 V58H-HA         8.255 4.15 2.7
529 V58H-HB         8.255 2.182 2.42
530 V58H-HG1 8.255 0.978 2.31
531 T59H-V58HB 8.147 2.189 3.01
532 T59H-V58HG1 8.145 0.966 3.1
533 T59H-HA  8.143 4.281 2.88
534 T59H-HG2 8.144 1.098 3.34
535 A60H-T59HA 8.079 4.282 3.53
536 A60H-T59HB 8.079 4.185 3.44
537 A60H-HA         8.079 4.358 2.81
538 A60H-HB         8.076 1.352 2.62
539 E61H-A60HA 7.965 4.359 3.33
540 E61H-HA         7.973 4.096 2.4
541 E61H-HB2 7.967 1.873 3.37
542 E61H-HG3 7.97 2.028 2.77
543 E61H-HG2 7.964 2.207 3.06
assign ( residue 22 and name HN ) ( residue 35 and name O ) 2.3 0.8 0.0
assign ( residue 22 and name N ) ( residue 35 and name O ) 3.3 0.8 0.0

assign ( residue 23 and name HN ) ( residue 47 and name O ) 2.3 0.8 0.0
assign ( residue 23 and name N ) ( residue 47 and name O ) 3.3 0.8 0.0

assign ( residue 24 and name HN ) ( residue 33 and name O ) 2.3 0.8 0.0
assign ( residue 24 and name N ) ( residue 33 and name O ) 3.3 0.8 0.0

assign ( residue 26 and name HN ) ( residue 31 and name O ) 2.3 0.8 0.0
assign ( residue 26 and name N ) ( residue 31 and name O ) 3.3 0.8 0.0

assign ( residue 31 and name HN ) ( residue 26 and name O ) 2.3 0.8 0.0
assign ( residue 31 and name N ) ( residue 26 and name O ) 3.3 0.8 0.0

assign ( residue 33 and name HN ) ( residue 24 and name O ) 2.3 0.8 0.0
assign ( residue 33 and name N ) ( residue 24 and name O ) 3.3 0.8 0.0

assign ( residue 35 and name HN ) ( residue 22 and name O ) 2.3 0.8 0.0
assign ( residue 35 and name N ) ( residue 22 and name O ) 3.3 0.8 0.0

assign ( residue 47 and name HN ) ( residue 23 and name O ) 2.3 0.8 0.0
assign ( residue 47 and name N ) ( residue 23 and name O ) 3.3 0.8 0.0

assign ( residue 53 and name HN ) ( residue 49 and name O ) 2.3 0.8 0.0
assign ( residue 53 and name N ) ( residue 49 and name O ) 3.3 0.8 0.0

assign ( residue 54 and name HN ) ( residue 50 and name O ) 2.3 0.8 0.0
assign ( residue 54 and name N ) ( residue 50 and name O ) 3.3 0.8 0.0

assign ( residue 55 and name HN ) ( residue 51 and name O ) 2.3 0.8 0.0
assign ( residue 55 and name N ) ( residue 51 and name O ) 3.3 0.8 0.0

assign ( residue 56 and name HN ) ( residue 52 and name O ) 2.3 0.8 0.0
assign ( residue 56 and name N ) ( residue 52 and name O ) 3.3 0.8 0.0

assign ( residue 57 and name HN ) ( residue 53 and name O ) 2.3 0.8 0.0
assign ( residue 57 and name N ) ( residue 53 and name O ) 3.3 0.8 0.0

assign ( residue 58 and name HN ) ( residue 54 and name O ) 2.3 0.8 0.0
assign ( residue 58 and name N ) ( residue 54 and name O ) 3.3 0.8 0.0

assign ( residue 59 and name HN ) ( residue 55 and name O ) 2.3 0.8 0.0
assign ( residue 59 and name N ) ( residue 55 and name O ) 3.3 0.8 0.0

assign ( residue 60 and name HN ) ( residue 56 and name O ) 2.3 0.8 0.0
assign ( residue 60 and name N ) ( residue 56 and name O ) 3.3 0.8 0.0

assign ( residue 61 and name HN ) ( residue 57 and name O ) 2.3 0.8 0.0
assign ( residue 61 and name N ) ( residue 57 and name O ) 3.3 0.8 0.0

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H2   PRO   1           1HT      PRO   1  14.954  -3.372  -1.134
    2    H3   PRO   1           2HT      PRO   1  15.049  -2.062  -2.102
    3    HA   PRO   1           HA       PRO   1  12.941  -1.999  -1.792
    4    HB2  PRO   1           2HB      PRO   1  12.036  -3.900  -3.640
    5    HB3  PRO   1           1HB      PRO   1  12.474  -2.222  -3.989
    6    HG2  PRO   1           2HG      PRO   1  13.848  -4.509  -4.860
    7    HG3  PRO   1           1HG      PRO   1  14.436  -2.840  -4.923
    8    HD2  PRO   1           2HD      PRO   1  15.005  -4.979  -2.903
    9    HD3  PRO   1           1HD      PRO   1  16.083  -3.728  -3.552
   10    H    ALA   2           H        ALA   2  13.891  -3.601   0.229
   11    HA   ALA   2           HA       ALA   2  11.757  -5.206   1.045
   12    HB1  ALA   2           1HB      ALA   2  12.667  -7.455   0.814
   13    HB2  ALA   2           2HB      ALA   2  14.063  -6.815  -0.055
   14    HB3  ALA   2           3HB      ALA   2  12.454  -6.705  -0.769
   15    H    GLN   3           H        GLN   3  13.384  -3.264   2.178
   16    HA   GLN   3           HA       GLN   3  15.433  -4.167   3.816
   17    HB2  GLN   3           2HB      GLN   3  15.198  -2.126   4.940
   18    HB3  GLN   3           1HB      GLN   3  14.602  -1.803   3.332
   19    HG2  GLN   3           2HG      GLN   3  12.321  -1.937   4.087
   20    HG3  GLN   3           1HG      GLN   3  12.862  -2.364   5.709
   21   HE21  GLN   3          1HE2      GLN   3  15.126  -0.468   5.540
   22   HE22  GLN   3          2HE2      GLN   3  14.421   1.102   5.766
   23    H    ASP   4           H        ASP   4  12.006  -4.149   4.229
   24    HA   ASP   4           HA       ASP   4  12.105  -6.281   6.172
   25    HB2  ASP   4           2HB      ASP   4  12.332  -4.419   7.649
   26    HB3  ASP   4           1HB      ASP   4  11.046  -3.539   6.856
   27    H    TYR   5           H        TYR   5   9.740  -6.768   6.858
   28    HA   TYR   5           HA       TYR   5   8.274  -7.300   4.488
   29    HB2  TYR   5           2HB      TYR   5   7.725  -7.686   7.397
   30    HB3  TYR   5           1HB      TYR   5   6.415  -7.852   6.232
   31    HD1  TYR   5           1HD      TYR   5   9.873  -9.085   6.896
   32    HD2  TYR   5           2HD      TYR   5   6.059  -9.882   5.184
   33    HE1  TYR   5           1HE      TYR   5  10.574 -11.393   6.413
   34    HE2  TYR   5           2HE      TYR   5   6.752 -12.188   4.697
   35    HH   TYR   5           HH       TYR   5   9.543 -13.592   6.023
   36    H    ARG   6           H        ARG   6   8.384  -4.564   6.526
   37    HA   ARG   6           HA       ARG   6   5.850  -3.456   5.976
   38    HB2  ARG   6           2HB      ARG   6   6.843  -1.334   6.628
   39    HB3  ARG   6           1HB      ARG   6   7.335  -2.614   7.733
   40    HG2  ARG   6           2HG      ARG   6   9.436  -2.825   6.399
   41    HG3  ARG   6           1HG      ARG   6   8.937  -1.376   5.535
   42    HD2  ARG   6           2HD      ARG   6  10.467  -0.782   7.314
   43    HD3  ARG   6           1HD      ARG   6   8.855  -0.163   7.685
   44    HE   ARG   6           HE       ARG   6   9.188  -2.727   8.828
   45   HH11  ARG   6          1HH1      ARG   6  10.339   0.553   9.213
   46   HH12  ARG   6          2HH1      ARG   6  10.514   0.428  10.938
   47   HH21  ARG   6          1HH2      ARG   6   9.456  -2.922  11.087
   48   HH22  ARG   6          2HH2      ARG   6  10.042  -1.560  11.998
   49    H    CYS   7           H        CYS   7   8.535  -4.017   3.990
   50    HA   CYS   7           HA       CYS   7   7.630  -2.120   1.937
   51    HB2  CYS   7           2HB      CYS   7  10.100  -2.471   2.674
   52    HB3  CYS   7           1HB      CYS   7  10.010  -3.964   1.752
   53    H    GLN   8           H        GLN   8   6.823  -5.051   3.021
   54    HA   GLN   8           HA       GLN   8   6.187  -6.124   0.356
   55    HB2  GLN   8           2HB      GLN   8   6.279  -7.890   2.730
   56    HB3  GLN   8           1HB      GLN   8   6.485  -8.304   1.046
   57    HG2  GLN   8           2HG      GLN   8   8.509  -6.734   2.593
   58    HG3  GLN   8           1HG      GLN   8   8.506  -8.493   2.535
   59   HE21  GLN   8          1HE2      GLN   8  10.478  -8.600   1.522
   60   HE22  GLN   8          2HE2      GLN   8  10.692  -8.179  -0.150
   61    H    LEU   9           H        LEU   9   5.108  -7.589   3.238
   62    HA   LEU   9           HA       LEU   9   3.066  -8.135   4.020
   63    HB2  LEU   9           2HB      LEU   9   2.793  -5.159   3.696
   64    HB3  LEU   9           1HB      LEU   9   1.571  -6.143   4.478
   65    HG   LEU   9           HG       LEU   9   4.428  -5.801   5.382
   66   HD11  LEU   9          1HD1      LEU   9   1.820  -4.908   6.602
   67   HD12  LEU   9          2HD1      LEU   9   3.040  -3.869   5.868
   68   HD13  LEU   9          3HD1      LEU   9   3.409  -4.750   7.350
   69   HD21  LEU   9          3HD2      LEU   9   3.777  -7.165   7.311
   70   HD22  LEU   9          1HD2      LEU   9   3.679  -8.070   5.801
   71   HD23  LEU   9          2HD2      LEU   9   2.209  -7.463   6.564
   72    H    SER  10           H        SER  10   0.506  -7.088   3.562
   73    HA   SER  10           HA       SER  10   0.026  -8.172   0.892
   74    HB2  SER  10           2HB      SER  10  -2.296  -8.468   1.710
   75    HB3  SER  10           1HB      SER  10  -1.108  -9.342   2.671
   76    HG   SER  10           HG       SER  10  -2.887  -7.625   3.540
   77    H    ARG  11           H        ARG  11  -1.569  -7.191  -0.451
   78    HA   ARG  11           HA       ARG  11  -1.912  -4.301  -0.009
   79    HB2  ARG  11           2HB      ARG  11  -2.498  -4.596  -2.597
   80    HB3  ARG  11           1HB      ARG  11  -0.874  -4.250  -2.018
   81    HG2  ARG  11           2HG      ARG  11  -0.505  -6.703  -1.987
   82    HG3  ARG  11           1HG      ARG  11  -2.031  -6.884  -2.833
   83    HD2  ARG  11           2HD      ARG  11  -1.130  -5.443  -4.632
   84    HD3  ARG  11           1HD      ARG  11   0.405  -5.398  -3.763
   85    HE   ARG  11           HE       ARG  11  -0.064  -8.051  -3.976
   86   HH11  ARG  11          1HH1      ARG  11  -0.040  -5.531  -6.427
   87   HH12  ARG  11          2HH1      ARG  11   0.453  -6.617  -7.684
   88   HH21  ARG  11          1HH2      ARG  11   0.607  -9.436  -5.623
   89   HH22  ARG  11          2HH2      ARG  11   0.853  -8.820  -7.227
   90    H    ASN  12           H        ASN  12  -3.352  -7.322  -0.491
   91    HA   ASN  12           HA       ASN  12  -5.433  -8.162  -0.534
   92    HB2  ASN  12           2HB      ASN  12  -5.884  -6.791   1.415
   93    HB3  ASN  12           1HB      ASN  12  -6.204  -5.401   0.415
   94   HD21  ASN  12          1HD2      ASN  12  -7.358  -8.496   1.473
   95   HD22  ASN  12          2HD2      ASN  12  -9.015  -8.255   1.019
   96    H    TYR  13           H        TYR  13  -6.713  -5.034  -1.392
   97    HA   TYR  13           HA       TYR  13  -6.094  -5.010  -4.097
   98    HB2  TYR  13           2HB      TYR  13  -7.680  -7.029  -3.975
   99    HB3  TYR  13           1HB      TYR  13  -8.948  -5.835  -3.717
  100    HD1  TYR  13           2HD      TYR  13  -6.198  -6.699  -6.066
  101    HD2  TYR  13           1HD      TYR  13  -9.985  -4.823  -5.559
  102    HE1  TYR  13           2HE      TYR  13  -6.329  -6.330  -8.489
  103    HE2  TYR  13           1HE      TYR  13 -10.122  -4.447  -7.987
  104    HH   TYR  13           HH       TYR  13  -8.722  -4.296  -9.905
  105    H    GLY  14           H        GLY  14  -9.205  -4.464  -2.596
  106    HA2  GLY  14           2HA      GLY  14  -9.552  -2.330  -1.480
  107    HA3  GLY  14           1HA      GLY  14  -8.598  -1.587  -2.743
  108    H    LYS  15           H        LYS  15 -11.323  -3.891  -2.836
  109    HA   LYS  15           HA       LYS  15 -12.648  -2.825  -5.019
  110    HB2  LYS  15           2HB      LYS  15 -14.107  -3.863  -2.641
  111    HB3  LYS  15           1HB      LYS  15 -14.591  -3.970  -4.319
  112    HG2  LYS  15           2HG      LYS  15 -12.141  -5.313  -3.303
  113    HG3  LYS  15           1HG      LYS  15 -13.727  -6.073  -3.179
  114    HD2  LYS  15           2HD      LYS  15 -12.471  -5.098  -5.746
  115    HD3  LYS  15           1HD      LYS  15 -12.497  -6.781  -5.207
  116    HE2  LYS  15           2HE      LYS  15 -14.992  -6.637  -5.144
  117    HE3  LYS  15           1HE      LYS  15 -14.868  -5.037  -5.870
  118    HZ1  LYS  15           3HZ      LYS  15 -13.970  -5.958  -7.842
  119    HZ2  LYS  15           1HZ      LYS  15 -15.321  -6.897  -7.439
  120    HZ3  LYS  15           2HZ      LYS  15 -13.762  -7.486  -7.132
  121    H    GLY  16           H        GLY  16 -13.815  -2.481  -1.794
  122    HA2  GLY  16           2HA      GLY  16 -13.811  -0.175  -0.835
  123    HA3  GLY  16           1HA      GLY  16 -14.470   0.339  -2.377
  124    H    SER  17           H        SER  17 -15.253  -0.439   0.739
  125    HA   SER  17           HA       SER  17 -18.036  -0.987  -0.003
  126    HB2  SER  17           2HB      SER  17 -18.268  -1.512   2.471
  127    HB3  SER  17           1HB      SER  17 -17.241  -2.617   1.558
  128    HG   SER  17           HG       SER  17 -16.594  -0.800   3.551
  129    H    GLY  18           H        GLY  18 -15.998   0.999   2.043
  130    HA2  GLY  18           2HA      GLY  18 -18.011   3.155   1.846
  131    HA3  GLY  18           1HA      GLY  18 -16.891   2.980   3.193
  132    H    SER  19           H        SER  19 -14.875   2.143   1.062
  133    HA   SER  19           HA       SER  19 -13.078   3.016   0.046
  134    HB2  SER  19           2HB      SER  19 -13.471   4.805  -1.642
  135    HB3  SER  19           1HB      SER  19 -14.451   3.355  -1.835
  136    HG   SER  19           HG       SER  19 -15.724   5.151  -0.263
  137    H    PHE  20           H        PHE  20 -11.532   3.861   1.082
  138    HA   PHE  20           HA       PHE  20 -11.781   6.495   2.327
  139    HB2  PHE  20           2HB      PHE  20 -10.038   4.100   2.816
  140    HB3  PHE  20           1HB      PHE  20  -9.577   5.680   3.405
  141    HD1  PHE  20           2HD      PHE  20 -12.165   3.065   3.602
  142    HD2  PHE  20           1HD      PHE  20 -10.543   6.581   5.370
  143    HE1  PHE  20           2HE      PHE  20 -13.557   2.700   5.594
  144    HE2  PHE  20           1HE      PHE  20 -11.935   6.221   7.367
  145    HZ   PHE  20           HZ       PHE  20 -13.445   4.281   7.480
  146    H    THR  21           H        THR  21  -9.854   4.488   0.271
  147    HA   THR  21           HA       THR  21  -8.330   4.879  -1.372
  148    HB   THR  21           HB       THR  21  -8.957   7.797  -1.133
  149    HG1  THR  21           1HG      THR  21 -10.881   7.179  -1.844
  150   HG21  THR  21          3HG2      THR  21  -8.352   7.544  -3.653
  151   HG22  THR  21          1HG2      THR  21  -7.571   6.052  -3.123
  152   HG23  THR  21          2HG2      THR  21  -7.059   7.605  -2.454
  153    H    ASN  22           H        ASN  22  -6.654   4.260  -0.378
  154    HA   ASN  22           HA       ASN  22  -4.834   6.325   0.638
  155    HB2  ASN  22           2HB      ASN  22  -5.437   3.607   1.820
  156    HB3  ASN  22           1HB      ASN  22  -3.867   4.366   2.059
  157   HD21  ASN  22          1HD2      ASN  22  -7.268   4.534   2.773
  158   HD22  ASN  22          2HD2      ASN  22  -7.147   5.691   4.054
  159    H    TYR  23           H        TYR  23  -2.519   5.064   0.579
  160    HA   TYR  23           HA       TYR  23  -2.439   3.912  -2.114
  161    HB2  TYR  23           2HB      TYR  23  -0.187   5.080  -0.436
  162    HB3  TYR  23           1HB      TYR  23  -0.008   4.424  -2.056
  163    HD1  TYR  23           1HD      TYR  23  -2.039   6.973  -0.244
  164    HD2  TYR  23           2HD      TYR  23  -0.022   5.908  -3.828
  165    HE1  TYR  23           1HE      TYR  23  -2.546   9.193  -1.179
  166    HE2  TYR  23           2HE      TYR  23  -0.526   8.119  -4.778
  167    HH   TYR  23           HH       TYR  23  -1.921  10.677  -2.841
  168    H    TYR  24           H        TYR  24  -0.995   2.092  -2.449
  169    HA   TYR  24           HA       TYR  24   0.016   0.681  -0.112
  170    HB2  TYR  24           2HB      TYR  24  -0.973  -1.415  -0.671
  171    HB3  TYR  24           1HB      TYR  24  -2.284  -0.245  -0.665
  172    HD1  TYR  24           2HD      TYR  24  -3.106   0.642  -2.915
  173    HD2  TYR  24           1HD      TYR  24  -0.540  -2.740  -2.577
  174    HE1  TYR  24           2HE      TYR  24  -3.773  -0.096  -5.162
  175    HE2  TYR  24           1HE      TYR  24  -1.196  -3.493  -4.768
  176    HH   TYR  24           HH       TYR  24  -2.954  -3.214  -6.389
  177    H    TYR  25           H        TYR  25   1.742  -0.745  -0.690
  178    HA   TYR  25           HA       TYR  25   3.044   0.141  -3.109
  179    HB2  TYR  25           2HB      TYR  25   4.346   0.104  -1.058
  180    HB3  TYR  25           1HB      TYR  25   4.010  -1.601  -0.863
  181    HD1  TYR  25           2HD      TYR  25   5.852   0.867  -2.864
  182    HD2  TYR  25           1HD      TYR  25   5.304  -3.261  -2.004
  183    HE1  TYR  25           2HE      TYR  25   7.913   0.341  -4.095
  184    HE2  TYR  25           1HE      TYR  25   7.364  -3.797  -3.231
  185    HH   TYR  25           HH       TYR  25   9.588  -1.399  -4.210
  186    H    ASP  26           H        ASP  26   2.455  -0.804  -4.883
  187    HA   ASP  26           HA       ASP  26   1.555  -3.549  -4.931
  188    HB2  ASP  26           2HB      ASP  26   0.404  -1.840  -6.275
  189    HB3  ASP  26           1HB      ASP  26   1.891  -1.540  -7.165
  190    H    LYS  27           H        LYS  27   3.006  -5.139  -5.001
  191    HA   LYS  27           HA       LYS  27   5.660  -4.613  -5.943
  192    HB2  LYS  27           2HB      LYS  27   5.629  -7.272  -5.313
  193    HB3  LYS  27           1HB      LYS  27   6.042  -5.959  -4.213
  194    HG2  LYS  27           2HG      LYS  27   3.502  -5.835  -3.846
  195    HG3  LYS  27           1HG      LYS  27   3.497  -7.485  -4.471
  196    HD2  LYS  27           2HD      LYS  27   3.639  -7.592  -2.075
  197    HD3  LYS  27           1HD      LYS  27   5.203  -8.065  -2.741
  198    HE2  LYS  27           2HE      LYS  27   4.721  -5.214  -2.012
  199    HE3  LYS  27           1HE      LYS  27   5.051  -6.381  -0.733
  200    HZ1  LYS  27           3HZ      LYS  27   7.095  -5.369  -1.400
  201    HZ2  LYS  27           1HZ      LYS  27   6.809  -5.718  -3.034
  202    HZ3  LYS  27           2HZ      LYS  27   7.114  -6.975  -1.946
  203    H    ALA  28           H        ALA  28   3.198  -4.964  -7.783
  204    HA   ALA  28           HA       ALA  28   4.434  -6.910  -9.599
  205    HB1  ALA  28           1HB      ALA  28   1.828  -5.404  -9.876
  206    HB2  ALA  28           2HB      ALA  28   1.997  -7.070  -9.323
  207    HB3  ALA  28           3HB      ALA  28   2.432  -6.641 -10.979
  208    H    THR  29           H        THR  29   4.041  -3.577  -8.943
  209    HA   THR  29           HA       THR  29   5.533  -2.902 -11.395
  210    HB   THR  29           HB       THR  29   3.347  -1.829 -11.435
  211    HG1  THR  29           1HG      THR  29   4.815   0.402 -10.695
  212   HG21  THR  29          3HG2      THR  29   4.101  -0.609  -8.778
  213   HG22  THR  29          1HG2      THR  29   2.877  -1.854  -9.036
  214   HG23  THR  29          2HG2      THR  29   2.651  -0.241  -9.713
  215    H    SER  30           H        SER  30   5.763  -3.343  -8.162
  216    HA   SER  30           HA       SER  30   7.171  -2.773  -6.498
  217    HB2  SER  30           2HB      SER  30   8.936  -2.154  -8.867
  218    HB3  SER  30           1HB      SER  30   9.511  -2.220  -7.200
  219    HG   SER  30           HG       SER  30   8.819  -4.396  -7.114
  220    H    SER  31           H        SER  31   5.290  -0.827  -7.132
  221    HA   SER  31           HA       SER  31   6.605   1.487  -6.012
  222    HB2  SER  31           2HB      SER  31   5.126   2.793  -7.881
  223    HB3  SER  31           1HB      SER  31   6.846   2.438  -8.050
  224    HG   SER  31           HG       SER  31   6.382   0.740  -9.358
  225    H    CYS  32           H        CYS  32   4.969   3.170  -5.408
  226    HA   CYS  32           HA       CYS  32   2.795   1.775  -4.069
  227    HB2  CYS  32           2HB      CYS  32   3.682   4.659  -3.811
  228    HB3  CYS  32           1HB      CYS  32   2.653   3.761  -2.693
  229    H    LYS  33           H        LYS  33   0.739   1.883  -4.744
  230    HA   LYS  33           HA       LYS  33  -0.158   4.232  -6.276
  231    HB2  LYS  33           2HB      LYS  33   0.162   2.343  -7.832
  232    HB3  LYS  33           1HB      LYS  33  -0.920   1.358  -6.879
  233    HG2  LYS  33           2HG      LYS  33  -2.110   2.101  -8.788
  234    HG3  LYS  33           1HG      LYS  33  -2.726   3.013  -7.412
  235    HD2  LYS  33           2HD      LYS  33  -0.601   4.094  -9.242
  236    HD3  LYS  33           1HD      LYS  33  -2.315   4.313  -9.561
  237    HE2  LYS  33           2HE      LYS  33  -2.467   5.333  -7.269
  238    HE3  LYS  33           1HE      LYS  33  -0.710   5.312  -7.221
  239    HZ1  LYS  33           3HZ      LYS  33  -0.701   6.687  -9.239
  240    HZ2  LYS  33           1HZ      LYS  33  -1.486   7.454  -7.941
  241    HZ3  LYS  33           2HZ      LYS  33  -2.398   6.760  -9.189
  242    H    THR  34           H        THR  34  -2.806   3.854  -6.343
  243    HA   THR  34           HA       THR  34  -3.359   3.856  -3.471
  244    HB   THR  34           HB       THR  34  -5.518   5.021  -4.259
  245    HG1  THR  34           1HG      THR  34  -4.788   6.390  -6.198
  246   HG21  THR  34          3HG2      THR  34  -2.849   6.400  -4.318
  247   HG22  THR  34          1HG2      THR  34  -3.816   6.032  -2.886
  248   HG23  THR  34          2HG2      THR  34  -4.414   7.186  -4.087
  249    H    PHE  35           H        PHE  35  -5.610   3.405  -2.847
  250    HA   PHE  35           HA       PHE  35  -7.266   1.707  -4.395
  251    HB2  PHE  35           2HB      PHE  35  -6.959  -0.379  -3.361
  252    HB3  PHE  35           1HB      PHE  35  -5.324   0.171  -3.674
  253    HD1  PHE  35           1HD      PHE  35  -5.008   2.054  -1.296
  254    HD2  PHE  35           2HD      PHE  35  -6.629  -1.877  -1.648
  255    HE1  PHE  35           1HE      PHE  35  -4.459   1.592   1.061
  256    HE2  PHE  35           2HE      PHE  35  -6.067  -2.326   0.700
  257    HZ   PHE  35           HZ       PHE  35  -4.979  -0.588   2.058
  258    H    ARG  36           H        ARG  36  -9.204   1.393  -3.426
  259    HA   ARG  36           HA       ARG  36 -10.107   3.468  -1.834
  260    HB2  ARG  36           2HB      ARG  36 -11.228   0.764  -2.413
  261    HB3  ARG  36           1HB      ARG  36 -12.153   2.051  -1.664
  262    HG2  ARG  36           2HG      ARG  36 -10.940   2.082  -4.415
  263    HG3  ARG  36           1HG      ARG  36 -12.656   1.930  -4.028
  264    HD2  ARG  36           2HD      ARG  36 -12.565   4.164  -2.958
  265    HD3  ARG  36           1HD      ARG  36 -10.882   4.309  -3.475
  266    HE   ARG  36           HE       ARG  36 -12.645   3.724  -5.656
  267   HH11  ARG  36          1HH1      ARG  36 -11.344   6.322  -3.671
  268   HH12  ARG  36          2HH1      ARG  36 -11.650   7.543  -4.866
  269   HH21  ARG  36          1HH2      ARG  36 -13.032   5.347  -7.220
  270   HH22  ARG  36          2HH2      ARG  36 -12.621   7.002  -6.858
  271    H    TYR  37           H        TYR  37  -8.558   0.593  -0.965
  272    HA   TYR  37           HA       TYR  37  -7.939  -0.358   0.968
  273    HB2  TYR  37           2HB      TYR  37  -7.415   1.797   1.881
  274    HB3  TYR  37           1HB      TYR  37  -9.117   2.149   2.175
  275    HD1  TYR  37           1HD      TYR  37  -6.287   0.006   3.247
  276    HD2  TYR  37           2HD      TYR  37 -10.125   1.560   4.220
  277    HE1  TYR  37           1HE      TYR  37  -6.045  -0.850   5.535
  278    HE2  TYR  37           2HE      TYR  37  -9.895   0.705   6.514
  279    HH   TYR  37           HH       TYR  37  -8.583  -1.137   7.673
  280    H    ARG  38           H        ARG  38 -11.046   0.229   0.107
  281    HA   ARG  38           HA       ARG  38 -12.994  -0.885   0.302
  282    HB2  ARG  38           2HB      ARG  38 -11.365  -2.582   2.153
  283    HB3  ARG  38           1HB      ARG  38 -13.102  -2.805   2.027
  284    HG2  ARG  38           2HG      ARG  38 -12.789  -3.186  -0.420
  285    HG3  ARG  38           1HG      ARG  38 -11.044  -3.142  -0.144
  286    HD2  ARG  38           2HD      ARG  38 -12.014  -5.442  -0.190
  287    HD3  ARG  38           1HD      ARG  38 -11.160  -5.048   1.303
  288    HE   ARG  38           HE       ARG  38 -13.206  -4.980   2.443
  289   HH11  ARG  38          1HH1      ARG  38 -13.607  -5.816  -0.926
  290   HH12  ARG  38          2HH1      ARG  38 -15.275  -6.267  -0.756
  291   HH21  ARG  38          1HH2      ARG  38 -15.387  -5.613   2.699
  292   HH22  ARG  38          2HH2      ARG  38 -16.275  -6.200   1.321
  293    H    GLY  39           H        GLY  39 -11.496  -0.682   3.495
  294    HA2  GLY  39           2HA      GLY  39 -12.282   0.809   5.214
  295    HA3  GLY  39           1HA      GLY  39 -13.865   0.797   4.443
  296    H    SER  40           H        SER  40 -14.622  -1.655   4.169
  297    HA   SER  40           HA       SER  40 -14.494  -2.839   6.830
  298    HB2  SER  40           2HB      SER  40 -16.550  -3.106   4.621
  299    HB3  SER  40           1HB      SER  40 -16.617  -3.934   6.167
  300    HG   SER  40           HG       SER  40 -17.398  -2.196   7.037
  301    H    GLY  41           H        GLY  41 -12.338  -3.569   5.920
  302    HA2  GLY  41           2HA      GLY  41 -11.802  -6.057   5.937
  303    HA3  GLY  41           1HA      GLY  41 -12.694  -6.083   4.432
  304    H    GLY  42           H        GLY  42 -10.503  -3.583   5.472
  305    HA2  GLY  42           2HA      GLY  42  -8.972  -3.907   3.021
  306    HA3  GLY  42           1HA      GLY  42  -8.803  -2.606   4.194
  307    H    ASN  43           H        ASN  43  -7.914  -5.888   3.393
  308    HA   ASN  43           HA       ASN  43  -6.217  -6.035   5.770
  309    HB2  ASN  43           2HB      ASN  43  -7.166  -8.116   3.807
  310    HB3  ASN  43           1HB      ASN  43  -5.858  -8.443   4.939
  311   HD21  ASN  43          1HD2      ASN  43  -8.495  -9.667   4.738
  312   HD22  ASN  43          2HD2      ASN  43  -9.255  -9.423   6.275
  313    H    GLY  44           H        GLY  44  -4.996  -4.268   4.637
  314    HA2  GLY  44           2HA      GLY  44  -2.781  -5.501   3.196
  315    HA3  GLY  44           1HA      GLY  44  -3.622  -4.177   2.400
  316    H    ASN  45           H        ASN  45  -1.007  -3.921   2.839
  317    HA   ASN  45           HA       ASN  45  -0.464  -2.509   5.286
  318    HB2  ASN  45           2HB      ASN  45   1.239  -3.848   4.038
  319    HB3  ASN  45           1HB      ASN  45   1.167  -2.665   2.739
  320   HD21  ASN  45          1HD2      ASN  45   3.393  -2.342   3.031
  321   HD22  ASN  45          2HD2      ASN  45   3.987  -1.350   4.313
  322    H    ARG  46           H        ARG  46  -2.052  -0.892   5.249
  323    HA   ARG  46           HA       ARG  46  -2.541   0.833   3.078
  324    HB2  ARG  46           2HB      ARG  46  -4.228   0.597   4.764
  325    HB3  ARG  46           1HB      ARG  46  -3.122   1.133   6.029
  326    HG2  ARG  46           2HG      ARG  46  -3.033   3.284   4.471
  327    HG3  ARG  46           1HG      ARG  46  -4.627   2.692   4.015
  328    HD2  ARG  46           2HD      ARG  46  -3.657   3.426   6.772
  329    HD3  ARG  46           1HD      ARG  46  -4.873   4.261   5.811
  330    HE   ARG  46           HE       ARG  46  -5.484   1.510   6.478
  331   HH11  ARG  46          1HH1      ARG  46  -5.860   4.896   7.278
  332   HH12  ARG  46          2HH1      ARG  46  -7.208   4.624   8.353
  333   HH21  ARG  46          1HH2      ARG  46  -7.259   1.145   7.899
  334   HH22  ARG  46          2HH2      ARG  46  -8.000   2.500   8.700
  335    H    PHE  47           H        PHE  47  -1.699   2.676   2.453
  336    HA   PHE  47           HA       PHE  47   0.273   4.045   4.165
  337    HB2  PHE  47           2HB      PHE  47   0.361   3.446   1.211
  338    HB3  PHE  47           1HB      PHE  47   1.304   4.752   1.911
  339    HD1  PHE  47           1HD      PHE  47   2.712   4.052   4.017
  340    HD2  PHE  47           2HD      PHE  47   1.355   1.391   0.995
  341    HE1  PHE  47           1HE      PHE  47   4.500   2.484   4.606
  342    HE2  PHE  47           2HE      PHE  47   3.148  -0.190   1.577
  343    HZ   PHE  47           HZ       PHE  47   4.728   0.356   3.389
  344    H    LYS  48           H        LYS  48  -0.298   6.090   4.582
  345    HA   LYS  48           HA       LYS  48  -2.708   7.201   3.622
  346    HB2  LYS  48           2HB      LYS  48  -0.366   8.384   5.115
  347    HB3  LYS  48           1HB      LYS  48  -1.728   9.372   4.621
  348    HG2  LYS  48           2HG      LYS  48  -1.792   8.581   6.987
  349    HG3  LYS  48           1HG      LYS  48  -3.219   8.190   6.031
  350    HD2  LYS  48           2HD      LYS  48  -2.717   5.935   5.964
  351    HD3  LYS  48           1HD      LYS  48  -1.001   6.203   6.271
  352    HE2  LYS  48           2HE      LYS  48  -3.038   6.899   8.352
  353    HE3  LYS  48           1HE      LYS  48  -2.515   5.228   8.146
  354    HZ1  LYS  48           3HZ      LYS  48  -0.593   7.455   8.539
  355    HZ2  LYS  48           1HZ      LYS  48  -0.312   5.790   8.684
  356    HZ3  LYS  48           2HZ      LYS  48  -1.260   6.587   9.837
  357    H    THR  49           H        THR  49   0.657   7.773   2.748
  358    HA   THR  49           HA       THR  49  -0.271   8.952   0.228
  359    HB   THR  49           HB       THR  49   1.617  10.579   0.334
  360    HG1  THR  49           1HG      THR  49   1.880  10.689   3.002
  361   HG21  THR  49          3HG2      THR  49   0.501  12.164   1.832
  362   HG22  THR  49          1HG2      THR  49  -0.426  10.842   2.541
  363   HG23  THR  49          2HG2      THR  49  -0.672  11.284   0.851
  364    H    LEU  50           H        LEU  50   1.428   8.901  -1.466
  365    HA   LEU  50           HA       LEU  50   2.821   6.382  -1.322
  366    HB2  LEU  50           2HB      LEU  50   2.236   6.358  -3.462
  367    HB3  LEU  50           1HB      LEU  50   1.735   8.021  -3.384
  368    HG   LEU  50           HG       LEU  50   3.203   7.626  -5.259
  369   HD11  LEU  50          1HD1      LEU  50   4.379   9.369  -3.130
  370   HD12  LEU  50          2HD1      LEU  50   3.290   9.823  -4.441
  371   HD13  LEU  50          3HD1      LEU  50   4.950   9.345  -4.798
  372   HD21  LEU  50          3HD2      LEU  50   4.499   5.753  -4.388
  373   HD22  LEU  50          1HD2      LEU  50   5.353   6.842  -3.295
  374   HD23  LEU  50          2HD2      LEU  50   5.535   7.022  -5.042
  375    H    GLU  51           H        GLU  51   3.515   9.725  -1.037
  376    HA   GLU  51           HA       GLU  51   6.331   9.546  -1.321
  377    HB2  GLU  51           2HB      GLU  51   6.344  11.719  -0.063
  378    HB3  GLU  51           1HB      GLU  51   5.315  11.699  -1.488
  379    HG2  GLU  51           2HG      GLU  51   3.446  11.076   0.196
  380    HG3  GLU  51           1HG      GLU  51   4.557  11.735   1.393
  381    H    ASP  52           H        ASP  52   4.151   8.951   1.316
  382    HA   ASP  52           HA       ASP  52   6.168   8.537   3.326
  383    HB2  ASP  52           2HB      ASP  52   3.730   9.057   3.770
  384    HB3  ASP  52           1HB      ASP  52   3.343   7.439   3.210
  385    H    CYS  53           H        CYS  53   4.115   6.486   1.354
  386    HA   CYS  53           HA       CYS  53   5.089   3.981   2.025
  387    HB2  CYS  53           2HB      CYS  53   3.077   4.244   0.724
  388    HB3  CYS  53           1HB      CYS  53   3.964   5.031  -0.575
  389    H    GLU  54           H        GLU  54   6.169   6.159  -0.582
  390    HA   GLU  54           HA       GLU  54   8.139   4.363  -1.546
  391    HB2  GLU  54           2HB      GLU  54   8.870   6.126  -2.974
  392    HB3  GLU  54           1HB      GLU  54   7.125   6.279  -2.873
  393    HG2  GLU  54           2HG      GLU  54   7.343   8.118  -1.329
  394    HG3  GLU  54           1HG      GLU  54   9.088   7.903  -1.273
  395    H    ALA  55           H        ALA  55   8.111   6.911   0.842
  396    HA   ALA  55           HA       ALA  55  10.801   7.334   1.138
  397    HB1  ALA  55           1HB      ALA  55   8.566   7.343   3.157
  398    HB2  ALA  55           2HB      ALA  55   9.385   8.718   2.408
  399    HB3  ALA  55           3HB      ALA  55  10.228   7.738   3.607
  400    H    THR  56           H        THR  56   8.895   5.114   3.155
  401    HA   THR  56           HA       THR  56  11.156   3.790   4.156
  402    HB   THR  56           HB       THR  56   9.174   3.667   5.457
  403    HG1  THR  56           1HG      THR  56  10.542   1.541   4.834
  404   HG21  THR  56          3HG2      THR  56   7.861   2.269   3.124
  405   HG22  THR  56          1HG2      THR  56   7.509   3.901   3.692
  406   HG23  THR  56          2HG2      THR  56   7.138   2.513   4.714
  407    H    CYS  57           H        CYS  57   8.893   2.754   1.590
  408    HA   CYS  57           HA       CYS  57  10.267   0.222   1.425
  409    HB2  CYS  57           2HB      CYS  57   7.750   0.697   1.103
  410    HB3  CYS  57           1HB      CYS  57   8.188   1.228  -0.513
  411    H    VAL  58           H        VAL  58   9.741   2.945  -0.817
  412    HA   VAL  58           HA       VAL  58  11.340   1.731  -2.848
  413    HB   VAL  58           HB       VAL  58  10.114   4.486  -2.680
  414   HG11  VAL  58          1HG1      VAL  58  12.097   4.521  -4.118
  415   HG12  VAL  58          2HG1      VAL  58  10.612   4.726  -5.048
  416   HG13  VAL  58          3HG1      VAL  58  11.444   3.171  -5.047
  417   HG21  VAL  58          3HG2      VAL  58   8.486   2.698  -2.822
  418   HG22  VAL  58          1HG2      VAL  58   9.334   2.000  -4.203
  419   HG23  VAL  58          2HG2      VAL  58   8.548   3.572  -4.353
  420    H    THR  59           H        THR  59  11.953   4.374  -0.477
  421    HA   THR  59           HA       THR  59  14.493   4.778  -1.854
  422    HB   THR  59           HB       THR  59  14.651   6.670  -0.085
  423    HG1  THR  59           1HG      THR  59  12.472   5.948   0.725
  424   HG21  THR  59          3HG2      THR  59  13.497   8.143  -1.803
  425   HG22  THR  59          1HG2      THR  59  13.145   6.652  -2.675
  426   HG23  THR  59          2HG2      THR  59  14.818   7.131  -2.388
  427    H    ALA  60           H        ALA  60  13.325   3.645   1.247
  428    HA   ALA  60           HA       ALA  60  15.989   3.553   2.331
  429    HB1  ALA  60           1HB      ALA  60  14.085   3.717   3.842
  430    HB2  ALA  60           2HB      ALA  60  15.030   2.264   4.167
  431    HB3  ALA  60           3HB      ALA  60  13.504   2.146   3.291
  432    H    GLU  61           H        GLU  61  13.949   1.502   0.435
  433    HA   GLU  61           HA       GLU  61  14.411  -0.254  -0.890
  434    HB2  GLU  61           2HB      GLU  61  17.223   0.628  -0.318
  435    HB3  GLU  61           1HB      GLU  61  16.820  -0.621  -1.488
  436    HG2  GLU  61           2HG      GLU  61  15.388   1.055  -2.657
  437    HG3  GLU  61           1HG      GLU  61  16.023   2.278  -1.559
  Start of MODEL    2
    1    H2   PRO   1           1HT      PRO   1  13.962  -6.281  -0.430
    2    H3   PRO   1           2HT      PRO   1  12.950  -5.098  -0.929
    3    HA   PRO   1           HA       PRO   1  11.663  -5.233   0.752
    4    HB2  PRO   1           2HB      PRO   1  11.604  -7.913   1.644
    5    HB3  PRO   1           1HB      PRO   1  10.341  -7.050   0.752
    6    HG2  PRO   1           2HG      PRO   1  12.477  -8.852  -0.257
    7    HG3  PRO   1           1HG      PRO   1  10.838  -8.587  -0.879
    8    HD2  PRO   1           2HD      PRO   1  12.953  -7.576  -2.152
    9    HD3  PRO   1           1HD      PRO   1  11.452  -6.641  -2.016
   10    H    ALA   2           H        ALA   2  14.374  -4.721   0.903
   11    HA   ALA   2           HA       ALA   2  15.505  -6.195   3.128
   12    HB1  ALA   2           1HB      ALA   2  16.512  -3.731   1.706
   13    HB2  ALA   2           2HB      ALA   2  16.951  -5.396   1.325
   14    HB3  ALA   2           3HB      ALA   2  17.412  -4.696   2.877
   15    H    GLN   3           H        GLN   3  13.546  -3.429   2.614
   16    HA   GLN   3           HA       GLN   3  13.818  -1.964   4.958
   17    HB2  GLN   3           2HB      GLN   3  11.727  -2.493   3.006
   18    HB3  GLN   3           1HB      GLN   3  11.066  -2.284   4.617
   19    HG2  GLN   3           2HG      GLN   3  12.763  -0.325   3.109
   20    HG3  GLN   3           1HG      GLN   3  11.034  -0.219   3.396
   21   HE21  GLN   3          1HE2      GLN   3  13.043   1.691   4.105
   22   HE22  GLN   3          2HE2      GLN   3  12.991   1.871   5.831
   23    H    ASP   4           H        ASP   4  11.405  -4.354   4.407
   24    HA   ASP   4           HA       ASP   4  11.603  -6.112   6.473
   25    HB2  ASP   4           2HB      ASP   4  11.379  -4.289   8.018
   26    HB3  ASP   4           1HB      ASP   4  10.013  -3.630   7.161
   27    H    TYR   5           H        TYR   5   9.084  -6.812   6.950
   28    HA   TYR   5           HA       TYR   5   8.029  -7.361   4.339
   29    HB2  TYR   5           2HB      TYR   5   7.003  -7.937   7.116
   30    HB3  TYR   5           1HB      TYR   5   6.113  -8.383   5.660
   31    HD1  TYR   5           2HD      TYR   5   7.019 -10.061   4.115
   32    HD2  TYR   5           1HD      TYR   5   9.001  -9.133   7.762
   33    HE1  TYR   5           2HE      TYR   5   8.362 -12.107   3.900
   34    HE2  TYR   5           1HE      TYR   5  10.354 -11.177   7.551
   35    HH   TYR   5           HH       TYR   5  10.518 -12.981   4.679
   36    H    ARG   6           H        ARG   6   7.821  -4.726   6.381
   37    HA   ARG   6           HA       ARG   6   5.192  -3.852   5.717
   38    HB2  ARG   6           2HB      ARG   6   5.833  -1.743   6.740
   39    HB3  ARG   6           1HB      ARG   6   6.309  -3.102   7.749
   40    HG2  ARG   6           2HG      ARG   6   8.593  -2.919   6.825
   41    HG3  ARG   6           1HG      ARG   6   8.070  -1.475   5.961
   42    HD2  ARG   6           2HD      ARG   6   9.208  -0.894   8.045
   43    HD3  ARG   6           1HD      ARG   6   7.516  -0.398   8.083
   44    HE   ARG   6           HE       ARG   6   8.239  -2.980   9.277
   45   HH11  ARG   6          1HH1      ARG   6   7.231   0.354   9.690
   46   HH12  ARG   6          2HH1      ARG   6   6.760   0.140  11.350
   47   HH21  ARG   6          1HH2      ARG   6   7.606  -3.264  11.465
   48   HH22  ARG   6          2HH2      ARG   6   6.971  -1.909  12.359
   49    H    CYS   7           H        CYS   7   8.076  -3.943   3.945
   50    HA   CYS   7           HA       CYS   7   7.274  -1.777   2.151
   51    HB2  CYS   7           2HB      CYS   7   9.698  -2.133   2.689
   52    HB3  CYS   7           1HB      CYS   7   9.600  -3.708   1.905
   53    H    GLN   8           H        GLN   8   5.709  -4.298   2.651
   54    HA   GLN   8           HA       GLN   8   4.837  -4.641  -0.014
   55    HB2  GLN   8           2HB      GLN   8   5.201  -7.134  -0.127
   56    HB3  GLN   8           1HB      GLN   8   6.630  -6.141  -0.354
   57    HG2  GLN   8           2HG      GLN   8   7.304  -6.592   1.954
   58    HG3  GLN   8           1HG      GLN   8   5.872  -7.600   2.169
   59   HE21  GLN   8          1HE2      GLN   8   7.042  -9.459   2.578
   60   HE22  GLN   8          2HE2      GLN   8   7.924 -10.297   1.345
   61    H    LEU   9           H        LEU   9   4.855  -6.651   2.920
   62    HA   LEU   9           HA       LEU   9   3.186  -7.756   3.991
   63    HB2  LEU   9           2HB      LEU   9   1.906  -5.062   3.588
   64    HB3  LEU   9           1HB      LEU   9   1.213  -6.316   4.599
   65    HG   LEU   9           HG       LEU   9   3.943  -5.108   5.044
   66   HD11  LEU   9          1HD1      LEU   9   2.906  -3.896   6.894
   67   HD12  LEU   9          2HD1      LEU   9   1.324  -4.503   6.406
   68   HD13  LEU   9          3HD1      LEU   9   2.220  -3.421   5.341
   69   HD21  LEU   9          3HD2      LEU   9   2.209  -6.872   6.773
   70   HD22  LEU   9          1HD2      LEU   9   3.760  -6.173   7.239
   71   HD23  LEU   9          2HD2      LEU   9   3.683  -7.362   5.939
   72    H    SER  10           H        SER  10   0.530  -6.106   2.711
   73    HA   SER  10           HA       SER  10   0.103  -7.883   0.482
   74    HB2  SER  10           2HB      SER  10  -2.065  -8.687   1.375
   75    HB3  SER  10           1HB      SER  10  -0.675  -9.272   2.283
   76    HG   SER  10           HG       SER  10  -1.583  -8.440   3.965
   77    H    ARG  11           H        ARG  11  -0.773  -6.744  -1.079
   78    HA   ARG  11           HA       ARG  11  -1.869  -4.148  -0.573
   79    HB2  ARG  11           2HB      ARG  11  -2.242  -4.124  -3.056
   80    HB3  ARG  11           1HB      ARG  11  -0.574  -4.228  -2.512
   81    HG2  ARG  11           2HG      ARG  11  -0.703  -6.650  -2.819
   82    HG3  ARG  11           1HG      ARG  11  -2.295  -6.447  -3.537
   83    HD2  ARG  11           2HD      ARG  11  -1.242  -4.896  -5.183
   84    HD3  ARG  11           1HD      ARG  11   0.318  -5.370  -4.516
   85    HE   ARG  11           HE       ARG  11  -0.746  -7.753  -5.112
   86   HH11  ARG  11          1HH1      ARG  11  -0.390  -4.840  -7.035
   87   HH12  ARG  11          2HH1      ARG  11  -0.454  -5.685  -8.541
   88   HH21  ARG  11          1HH2      ARG  11  -0.881  -8.847  -7.106
   89   HH22  ARG  11          2HH2      ARG  11  -0.754  -7.950  -8.595
   90    H    ASN  12           H        ASN  12  -2.980  -7.180  -1.866
   91    HA   ASN  12           HA       ASN  12  -4.973  -8.111  -2.322
   92    HB2  ASN  12           2HB      ASN  12  -5.064  -8.210   0.091
   93    HB3  ASN  12           1HB      ASN  12  -5.723  -6.590   0.167
   94   HD21  ASN  12          1HD2      ASN  12  -6.343  -9.880  -0.785
   95   HD22  ASN  12          2HD2      ASN  12  -8.070  -9.771  -0.781
   96    H    TYR  13           H        TYR  13  -6.487  -5.291  -0.936
   97    HA   TYR  13           HA       TYR  13  -7.230  -3.909  -3.240
   98    HB2  TYR  13           2HB      TYR  13  -8.375  -6.196  -3.585
   99    HB3  TYR  13           1HB      TYR  13  -9.444  -5.711  -2.284
  100    HD1  TYR  13           2HD      TYR  13  -8.178  -4.504  -5.578
  101    HD2  TYR  13           1HD      TYR  13 -11.377  -4.535  -2.778
  102    HE1  TYR  13           2HE      TYR  13  -9.584  -3.278  -7.179
  103    HE2  TYR  13           1HE      TYR  13 -12.791  -3.315  -4.371
  104    HH   TYR  13           HH       TYR  13 -12.630  -1.922  -6.266
  105    H    GLY  14           H        GLY  14  -8.297  -5.200  -0.200
  106    HA2  GLY  14           2HA      GLY  14  -8.059  -3.152   1.465
  107    HA3  GLY  14           1HA      GLY  14  -9.515  -2.674   0.599
  108    H    LYS  15           H        LYS  15  -9.910  -2.966   3.184
  109    HA   LYS  15           HA       LYS  15 -10.433  -5.569   4.104
  110    HB2  LYS  15           2HB      LYS  15 -11.992  -3.241   5.052
  111    HB3  LYS  15           1HB      LYS  15 -11.406  -4.611   5.970
  112    HG2  LYS  15           2HG      LYS  15  -9.724  -2.413   4.833
  113    HG3  LYS  15           1HG      LYS  15 -10.207  -2.557   6.520
  114    HD2  LYS  15           2HD      LYS  15  -8.441  -4.446   4.961
  115    HD3  LYS  15           1HD      LYS  15  -7.938  -3.356   6.253
  116    HE2  LYS  15           2HE      LYS  15  -9.837  -5.684   6.551
  117    HE3  LYS  15           1HE      LYS  15  -8.139  -5.679   7.023
  118    HZ1  LYS  15           3HZ      LYS  15  -8.661  -3.847   8.567
  119    HZ2  LYS  15           1HZ      LYS  15  -9.483  -5.281   8.936
  120    HZ3  LYS  15           2HZ      LYS  15 -10.308  -4.010   8.181
  121    H    GLY  16           H        GLY  16 -12.903  -3.151   3.602
  122    HA2  GLY  16           2HA      GLY  16 -14.279  -3.843   1.482
  123    HA3  GLY  16           1HA      GLY  16 -14.648  -5.222   2.494
  124    H    SER  17           H        SER  17 -15.321  -1.934   1.810
  125    HA   SER  17           HA       SER  17 -17.888  -2.351   3.003
  126    HB2  SER  17           2HB      SER  17 -17.909  -0.355   4.414
  127    HB3  SER  17           1HB      SER  17 -16.664  -1.487   4.932
  128    HG   SER  17           HG       SER  17 -16.431   1.077   4.062
  129    H    GLY  18           H        GLY  18 -16.141   0.573   2.090
  130    HA2  GLY  18           2HA      GLY  18 -17.518   0.745  -0.421
  131    HA3  GLY  18           1HA      GLY  18 -18.136   1.867   0.777
  132    H    SER  19           H        SER  19 -14.972   0.736  -0.266
  133    HA   SER  19           HA       SER  19 -13.016   1.756  -0.735
  134    HB2  SER  19           2HB      SER  19 -13.180   3.791  -2.215
  135    HB3  SER  19           1HB      SER  19 -14.006   2.345  -2.780
  136    HG   SER  19           HG       SER  19 -15.885   3.302  -2.551
  137    H    PHE  20           H        PHE  20 -12.101   4.287  -0.917
  138    HA   PHE  20           HA       PHE  20 -12.505   6.066   1.148
  139    HB2  PHE  20           2HB      PHE  20 -11.943   3.922   2.473
  140    HB3  PHE  20           1HB      PHE  20 -10.315   4.158   1.877
  141    HD1  PHE  20           2HD      PHE  20 -12.921   5.501   4.065
  142    HD2  PHE  20           1HD      PHE  20  -8.915   5.911   2.706
  143    HE1  PHE  20           2HE      PHE  20 -12.457   7.055   5.916
  144    HE2  PHE  20           1HE      PHE  20  -8.440   7.465   4.552
  145    HZ   PHE  20           HZ       PHE  20 -10.215   8.035   6.164
  146    H    THR  21           H        THR  21 -10.027   4.156  -0.323
  147    HA   THR  21           HA       THR  21  -8.445   4.602  -1.907
  148    HB   THR  21           HB       THR  21  -9.190   7.501  -1.831
  149    HG1  THR  21           1HG      THR  21 -10.888   7.058  -3.067
  150   HG21  THR  21          3HG2      THR  21  -8.402   7.228  -4.264
  151   HG22  THR  21          1HG2      THR  21  -7.694   5.708  -3.710
  152   HG23  THR  21          2HG2      THR  21  -7.179   7.238  -2.993
  153    H    ASN  22           H        ASN  22  -6.741   4.144  -0.876
  154    HA   ASN  22           HA       ASN  22  -5.108   6.362   0.134
  155    HB2  ASN  22           2HB      ASN  22  -5.585   3.679   1.433
  156    HB3  ASN  22           1HB      ASN  22  -4.048   4.506   1.652
  157   HD21  ASN  22          1HD2      ASN  22  -5.195   7.158   1.658
  158   HD22  ASN  22          2HD2      ASN  22  -6.019   7.335   3.170
  159    H    TYR  23           H        TYR  23  -2.690   5.150   0.236
  160    HA   TYR  23           HA       TYR  23  -2.491   3.977  -2.447
  161    HB2  TYR  23           2HB      TYR  23  -0.323   5.279  -0.767
  162    HB3  TYR  23           1HB      TYR  23  -0.064   4.528  -2.331
  163    HD1  TYR  23           1HD      TYR  23  -2.206   7.142  -0.763
  164    HD2  TYR  23           2HD      TYR  23  -0.056   5.873  -4.198
  165    HE1  TYR  23           1HE      TYR  23  -2.713   9.286  -1.860
  166    HE2  TYR  23           2HE      TYR  23  -0.558   8.006  -5.312
  167    HH   TYR  23           HH       TYR  23  -2.131   9.809  -5.213
  168    H    TYR  24           H        TYR  24  -0.901   2.293  -2.745
  169    HA   TYR  24           HA       TYR  24   0.084   0.856  -0.417
  170    HB2  TYR  24           2HB      TYR  24  -0.856  -1.256  -1.039
  171    HB3  TYR  24           1HB      TYR  24  -2.195  -0.114  -1.029
  172    HD1  TYR  24           2HD      TYR  24  -2.993   0.813  -3.277
  173    HD2  TYR  24           1HD      TYR  24  -0.355  -2.507  -2.978
  174    HE1  TYR  24           2HE      TYR  24  -3.569   0.137  -5.572
  175    HE2  TYR  24           1HE      TYR  24  -0.912  -3.189  -5.220
  176    HH   TYR  24           HH       TYR  24  -2.737  -2.901  -6.862
  177    H    TYR  25           H        TYR  25   1.825  -0.626  -1.092
  178    HA   TYR  25           HA       TYR  25   3.105   0.427  -3.473
  179    HB2  TYR  25           2HB      TYR  25   4.463   0.301  -1.477
  180    HB3  TYR  25           1HB      TYR  25   4.129  -1.411  -1.327
  181    HD1  TYR  25           2HD      TYR  25   5.973   1.121  -3.239
  182    HD2  TYR  25           1HD      TYR  25   5.311  -3.036  -2.637
  183    HE1  TYR  25           2HE      TYR  25   7.973   0.613  -4.578
  184    HE2  TYR  25           1HE      TYR  25   7.303  -3.553  -3.969
  185    HH   TYR  25           HH       TYR  25   9.619  -1.271  -4.792
  186    H    ASP  26           H        ASP  26   3.022  -0.497  -5.342
  187    HA   ASP  26           HA       ASP  26   1.979  -3.221  -5.578
  188    HB2  ASP  26           2HB      ASP  26   0.740  -1.574  -6.820
  189    HB3  ASP  26           1HB      ASP  26   2.216  -0.930  -7.530
  190    H    LYS  27           H        LYS  27   3.403  -4.819  -5.919
  191    HA   LYS  27           HA       LYS  27   6.026  -4.176  -6.940
  192    HB2  LYS  27           2HB      LYS  27   6.064  -6.867  -6.457
  193    HB3  LYS  27           1HB      LYS  27   6.569  -5.611  -5.331
  194    HG2  LYS  27           2HG      LYS  27   4.041  -5.547  -4.774
  195    HG3  LYS  27           1HG      LYS  27   4.061  -7.192  -5.415
  196    HD2  LYS  27           2HD      LYS  27   4.391  -7.231  -3.006
  197    HD3  LYS  27           1HD      LYS  27   5.864  -7.758  -3.826
  198    HE2  LYS  27           2HE      LYS  27   5.550  -4.875  -3.166
  199    HE3  LYS  27           1HE      LYS  27   5.926  -5.994  -1.854
  200    HZ1  LYS  27           3HZ      LYS  27   7.539  -5.518  -4.311
  201    HZ2  LYS  27           1HZ      LYS  27   7.861  -6.748  -3.187
  202    HZ3  LYS  27           2HZ      LYS  27   7.961  -5.122  -2.719
  203    H    ALA  28           H        ALA  28   3.574  -4.305  -8.689
  204    HA   ALA  28           HA       ALA  28   4.520  -6.365 -10.561
  205    HB1  ALA  28           1HB      ALA  28   2.069  -4.599 -10.680
  206    HB2  ALA  28           2HB      ALA  28   2.104  -6.296 -10.202
  207    HB3  ALA  28           3HB      ALA  28   2.497  -5.840 -11.860
  208    H    THR  29           H        THR  29   4.400  -3.015  -9.878
  209    HA   THR  29           HA       THR  29   6.056  -2.479 -12.258
  210    HB   THR  29           HB       THR  29   3.795  -1.488 -12.495
  211    HG1  THR  29           1HG      THR  29   5.408   0.760 -12.076
  212   HG21  THR  29          3HG2      THR  29   4.544   0.187 -10.099
  213   HG22  THR  29          1HG2      THR  29   3.383  -1.143 -10.077
  214   HG23  THR  29          2HG2      THR  29   3.060   0.301 -11.044
  215    H    SER  30           H        SER  30   6.023  -2.778  -9.039
  216    HA   SER  30           HA       SER  30   7.370  -2.242  -7.323
  217    HB2  SER  30           2HB      SER  30   9.182  -1.382  -9.574
  218    HB3  SER  30           1HB      SER  30   9.696  -1.576  -7.896
  219    HG   SER  30           HG       SER  30   9.851  -3.641  -8.249
  220    H    SER  31           H        SER  31   5.410  -0.361  -7.723
  221    HA   SER  31           HA       SER  31   6.674   1.906  -6.458
  222    HB2  SER  31           2HB      SER  31   4.997   2.385  -8.933
  223    HB3  SER  31           1HB      SER  31   5.790   3.604  -7.930
  224    HG   SER  31           HG       SER  31   7.670   1.915  -8.658
  225    H    CYS  32           H        CYS  32   4.848   3.573  -5.904
  226    HA   CYS  32           HA       CYS  32   2.858   1.983  -4.496
  227    HB2  CYS  32           2HB      CYS  32   3.474   4.938  -4.297
  228    HB3  CYS  32           1HB      CYS  32   2.524   3.985  -3.152
  229    H    LYS  33           H        LYS  33   0.833   1.843  -5.097
  230    HA   LYS  33           HA       LYS  33  -0.349   3.806  -6.974
  231    HB2  LYS  33           2HB      LYS  33  -0.024   1.737  -8.131
  232    HB3  LYS  33           1HB      LYS  33  -0.682   0.796  -6.810
  233    HG2  LYS  33           2HG      LYS  33  -2.259   0.881  -8.605
  234    HG3  LYS  33           1HG      LYS  33  -2.878   1.845  -7.264
  235    HD2  LYS  33           2HD      LYS  33  -1.582   3.765  -8.591
  236    HD3  LYS  33           1HD      LYS  33  -1.950   2.692  -9.942
  237    HE2  LYS  33           2HE      LYS  33  -3.903   3.843  -7.973
  238    HE3  LYS  33           1HE      LYS  33  -3.717   4.329  -9.659
  239    HZ1  LYS  33           3HZ      LYS  33  -4.461   2.168 -10.367
  240    HZ2  LYS  33           1HZ      LYS  33  -5.609   2.813  -9.301
  241    HZ3  LYS  33           2HZ      LYS  33  -4.539   1.606  -8.773
  242    H    THR  34           H        THR  34  -2.851   3.652  -6.765
  243    HA   THR  34           HA       THR  34  -3.402   3.759  -3.882
  244    HB   THR  34           HB       THR  34  -5.579   4.862  -4.655
  245    HG1  THR  34           1HG      THR  34  -4.096   5.774  -6.862
  246   HG21  THR  34          3HG2      THR  34  -2.965   6.315  -4.954
  247   HG22  THR  34          1HG2      THR  34  -3.796   5.966  -3.433
  248   HG23  THR  34          2HG2      THR  34  -4.539   7.045  -4.623
  249    H    PHE  35           H        PHE  35  -5.585   3.193  -3.184
  250    HA   PHE  35           HA       PHE  35  -7.012   1.168  -4.629
  251    HB2  PHE  35           2HB      PHE  35  -6.461  -0.728  -3.374
  252    HB3  PHE  35           1HB      PHE  35  -4.900   0.032  -3.624
  253    HD1  PHE  35           1HD      PHE  35  -4.934   2.139  -1.505
  254    HD2  PHE  35           2HD      PHE  35  -6.235  -1.921  -1.454
  255    HE1  PHE  35           1HE      PHE  35  -4.573   2.030   0.929
  256    HE2  PHE  35           2HE      PHE  35  -5.862  -2.017   0.969
  257    HZ   PHE  35           HZ       PHE  35  -5.027  -0.037   2.164
  258    H    ARG  36           H        ARG  36  -8.792   0.389  -3.344
  259    HA   ARG  36           HA       ARG  36 -10.129   2.667  -2.389
  260    HB2  ARG  36           2HB      ARG  36 -10.787  -0.237  -2.508
  261    HB3  ARG  36           1HB      ARG  36 -11.954   0.981  -2.019
  262    HG2  ARG  36           2HG      ARG  36 -10.612   0.688  -4.690
  263    HG3  ARG  36           1HG      ARG  36 -12.330   0.508  -4.325
  264    HD2  ARG  36           2HD      ARG  36 -12.404   2.888  -3.684
  265    HD3  ARG  36           1HD      ARG  36 -10.710   3.044  -4.139
  266    HE   ARG  36           HE       ARG  36 -12.227   2.017  -6.305
  267   HH11  ARG  36          1HH1      ARG  36 -11.532   4.973  -4.545
  268   HH12  ARG  36          2HH1      ARG  36 -11.962   6.013  -5.862
  269   HH21  ARG  36          1HH2      ARG  36 -12.779   3.403  -8.061
  270   HH22  ARG  36          2HH2      ARG  36 -12.656   5.128  -7.859
  271    H    TYR  37           H        TYR  37  -8.397   0.146  -0.866
  272    HA   TYR  37           HA       TYR  37  -7.795  -0.290   1.244
  273    HB2  TYR  37           2HB      TYR  37  -7.307   2.013   1.606
  274    HB3  TYR  37           1HB      TYR  37  -9.014   2.414   1.792
  275    HD1  TYR  37           1HD      TYR  37  -6.614  -0.007   3.342
  276    HD2  TYR  37           2HD      TYR  37  -9.595   2.966   3.946
  277    HE1  TYR  37           1HE      TYR  37  -6.369  -0.267   5.773
  278    HE2  TYR  37           2HE      TYR  37  -9.361   2.716   6.382
  279    HH   TYR  37           HH       TYR  37  -8.582   1.181   8.012
  280    H    ARG  38           H        ARG  38 -11.081   0.675   0.752
  281    HA   ARG  38           HA       ARG  38 -11.980  -1.416   2.627
  282    HB2  ARG  38           2HB      ARG  38 -13.237   1.240   1.942
  283    HB3  ARG  38           1HB      ARG  38 -14.122  -0.055   2.736
  284    HG2  ARG  38           2HG      ARG  38 -12.547   0.011   4.605
  285    HG3  ARG  38           1HG      ARG  38 -11.660   1.311   3.803
  286    HD2  ARG  38           2HD      ARG  38 -13.417   2.831   4.068
  287    HD3  ARG  38           1HD      ARG  38 -14.591   1.558   4.391
  288    HE   ARG  38           HE       ARG  38 -12.628   2.650   6.272
  289   HH11  ARG  38          1HH1      ARG  38 -15.262   0.439   5.609
  290   HH12  ARG  38          2HH1      ARG  38 -15.640   0.184   7.291
  291   HH21  ARG  38          1HH2      ARG  38 -13.146   2.319   8.492
  292   HH22  ARG  38          2HH2      ARG  38 -14.453   1.257   8.907
  293    H    GLY  39           H        GLY  39 -11.323  -2.359   0.305
  294    HA2  GLY  39           2HA      GLY  39 -13.514  -2.149  -1.601
  295    HA3  GLY  39           1HA      GLY  39 -11.991  -2.990  -1.848
  296    H    SER  40           H        SER  40 -11.739  -5.116  -1.021
  297    HA   SER  40           HA       SER  40 -13.842  -6.534   0.230
  298    HB2  SER  40           2HB      SER  40 -14.886  -6.137  -2.003
  299    HB3  SER  40           1HB      SER  40 -13.540  -6.991  -2.751
  300    HG   SER  40           HG       SER  40 -15.698  -7.972  -1.291
  301    H    GLY  41           H        GLY  41 -12.088  -7.329   1.464
  302    HA2  GLY  41           2HA      GLY  41 -11.159  -9.824   0.863
  303    HA3  GLY  41           1HA      GLY  41  -9.938  -8.755   0.189
  304    H    GLY  42           H        GLY  42  -8.320  -9.365   1.585
  305    HA2  GLY  42           2HA      GLY  42  -8.785  -9.066   4.455
  306    HA3  GLY  42           1HA      GLY  42  -7.367  -9.785   3.704
  307    H    ASN  43           H        ASN  43  -5.831  -8.397   2.691
  308    HA   ASN  43           HA       ASN  43  -4.506  -6.582   2.479
  309    HB2  ASN  43           2HB      ASN  43  -6.292  -5.269   1.620
  310    HB3  ASN  43           1HB      ASN  43  -7.027  -5.094   3.210
  311   HD21  ASN  43          1HD2      ASN  43  -4.355  -4.117   1.166
  312   HD22  ASN  43          2HD2      ASN  43  -3.944  -2.695   2.067
  313    H    GLY  44           H        GLY  44  -2.909  -5.940   3.716
  314    HA2  GLY  44           2HA      GLY  44  -3.483  -5.202   6.507
  315    HA3  GLY  44           1HA      GLY  44  -2.207  -6.360   6.151
  316    H    ASN  45           H        ASN  45  -2.727  -3.826   3.894
  317    HA   ASN  45           HA       ASN  45  -0.480  -2.283   4.980
  318    HB2  ASN  45           2HB      ASN  45   0.483  -3.856   3.359
  319    HB3  ASN  45           1HB      ASN  45  -0.658  -3.313   2.132
  320   HD21  ASN  45          1HD2      ASN  45   2.213  -2.555   3.917
  321   HD22  ASN  45          2HD2      ASN  45   2.698  -1.203   2.961
  322    H    ARG  46           H        ARG  46  -0.811  -0.161   4.878
  323    HA   ARG  46           HA       ARG  46  -2.491   0.993   2.804
  324    HB2  ARG  46           2HB      ARG  46  -4.169   0.658   4.444
  325    HB3  ARG  46           1HB      ARG  46  -3.102   1.160   5.755
  326    HG2  ARG  46           2HG      ARG  46  -3.089   3.446   4.610
  327    HG3  ARG  46           1HG      ARG  46  -4.464   2.844   3.685
  328    HD2  ARG  46           2HD      ARG  46  -5.252   4.082   5.604
  329    HD3  ARG  46           1HD      ARG  46  -5.643   2.374   5.798
  330    HE   ARG  46           HE       ARG  46  -3.327   2.533   7.118
  331   HH11  ARG  46          1HH1      ARG  46  -6.166   4.586   7.252
  332   HH12  ARG  46          2HH1      ARG  46  -5.909   5.034   8.907
  333   HH21  ARG  46          1HH2      ARG  46  -2.999   3.115   9.279
  334   HH22  ARG  46          2HH2      ARG  46  -4.119   4.199  10.063
  335    H    PHE  47           H        PHE  47  -1.626   2.788   2.078
  336    HA   PHE  47           HA       PHE  47   0.175   4.341   3.823
  337    HB2  PHE  47           2HB      PHE  47   0.374   3.694   0.878
  338    HB3  PHE  47           1HB      PHE  47   1.271   5.018   1.605
  339    HD1  PHE  47           1HD      PHE  47   2.593   4.324   3.797
  340    HD2  PHE  47           2HD      PHE  47   1.437   1.673   0.676
  341    HE1  PHE  47           1HE      PHE  47   4.365   2.769   4.470
  342    HE2  PHE  47           2HE      PHE  47   3.212   0.104   1.347
  343    HZ   PHE  47           HZ       PHE  47   4.682   0.652   3.247
  344    H    LYS  48           H        LYS  48  -0.090   6.597   3.757
  345    HA   LYS  48           HA       LYS  48  -2.690   7.425   2.749
  346    HB2  LYS  48           2HB      LYS  48  -0.662   8.702   4.546
  347    HB3  LYS  48           1HB      LYS  48  -1.927   9.673   3.813
  348    HG2  LYS  48           2HG      LYS  48  -2.511   8.987   6.073
  349    HG3  LYS  48           1HG      LYS  48  -3.628   8.322   4.883
  350    HD2  LYS  48           2HD      LYS  48  -2.881   6.174   5.183
  351    HD3  LYS  48           1HD      LYS  48  -1.286   6.692   5.726
  352    HE2  LYS  48           2HE      LYS  48  -3.830   7.053   7.303
  353    HE3  LYS  48           1HE      LYS  48  -2.710   5.709   7.524
  354    HZ1  LYS  48           3HZ      LYS  48  -1.006   7.208   8.201
  355    HZ2  LYS  48           1HZ      LYS  48  -2.389   7.557   9.112
  356    HZ3  LYS  48           2HZ      LYS  48  -1.951   8.568   7.825
  357    H    THR  49           H        THR  49   0.698   8.378   2.325
  358    HA   THR  49           HA       THR  49  -0.087   9.524  -0.273
  359    HB   THR  49           HB       THR  49   1.822  11.096  -0.043
  360    HG1  THR  49           1HG      THR  49   1.876  10.147   2.658
  361   HG21  THR  49          3HG2      THR  49   0.759  12.610   1.571
  362   HG22  THR  49          1HG2      THR  49  -0.239  11.276   2.151
  363   HG23  THR  49          2HG2      THR  49  -0.423  11.862   0.496
  364    H    LEU  50           H        LEU  50   1.375   9.174  -2.003
  365    HA   LEU  50           HA       LEU  50   2.776   6.704  -1.770
  366    HB2  LEU  50           2HB      LEU  50   2.168   6.595  -3.892
  367    HB3  LEU  50           1HB      LEU  50   1.652   8.256  -3.844
  368    HG   LEU  50           HG       LEU  50   3.049   7.846  -5.752
  369   HD11  LEU  50          1HD1      LEU  50   4.318   9.613  -3.696
  370   HD12  LEU  50          2HD1      LEU  50   3.186  10.055  -4.975
  371   HD13  LEU  50          3HD1      LEU  50   4.828   9.554  -5.383
  372   HD21  LEU  50          3HD2      LEU  50   4.368   5.981  -4.979
  373   HD22  LEU  50          1HD2      LEU  50   5.220   7.014  -3.827
  374   HD23  LEU  50          2HD2      LEU  50   5.422   7.267  -5.563
  375    H    GLU  51           H        GLU  51   3.613  10.021  -1.618
  376    HA   GLU  51           HA       GLU  51   6.392   9.787  -2.020
  377    HB2  GLU  51           2HB      GLU  51   6.579  11.926  -0.826
  378    HB3  GLU  51           1HB      GLU  51   5.263  11.966  -1.991
  379    HG2  GLU  51           2HG      GLU  51   3.663  11.575  -0.185
  380    HG3  GLU  51           1HG      GLU  51   4.986  11.557   0.977
  381    H    ASP  52           H        ASP  52   4.355   9.350   0.768
  382    HA   ASP  52           HA       ASP  52   6.371   8.838   2.715
  383    HB2  ASP  52           2HB      ASP  52   3.991   9.391   3.250
  384    HB3  ASP  52           1HB      ASP  52   3.497   7.871   2.534
  385    H    CYS  53           H        CYS  53   4.200   6.764   0.897
  386    HA   CYS  53           HA       CYS  53   5.198   4.279   1.548
  387    HB2  CYS  53           2HB      CYS  53   3.128   4.472   0.388
  388    HB3  CYS  53           1HB      CYS  53   3.883   5.326  -0.955
  389    H    GLU  54           H        GLU  54   6.193   6.392  -1.152
  390    HA   GLU  54           HA       GLU  54   8.062   4.499  -2.167
  391    HB2  GLU  54           2HB      GLU  54   8.707   6.148  -3.749
  392    HB3  GLU  54           1HB      GLU  54   6.981   6.359  -3.529
  393    HG2  GLU  54           2HG      GLU  54   7.362   8.283  -2.127
  394    HG3  GLU  54           1HG      GLU  54   9.102   8.025  -2.198
  395    H    ALA  55           H        ALA  55   8.195   7.106   0.114
  396    HA   ALA  55           HA       ALA  55  10.923   7.511   0.170
  397    HB1  ALA  55           1HB      ALA  55   8.811   7.726   2.312
  398    HB2  ALA  55           2HB      ALA  55   9.647   9.020   1.446
  399    HB3  ALA  55           3HB      ALA  55  10.512   8.068   2.653
  400    H    THR  56           H        THR  56   9.083   5.507   2.441
  401    HA   THR  56           HA       THR  56  11.380   4.203   3.406
  402    HB   THR  56           HB       THR  56   9.528   4.329   4.871
  403    HG1  THR  56           1HG      THR  56  10.703   2.371   5.050
  404   HG21  THR  56          3HG2      THR  56   7.926   2.803   2.815
  405   HG22  THR  56          1HG2      THR  56   7.717   4.498   3.258
  406   HG23  THR  56          2HG2      THR  56   7.370   3.230   4.434
  407    H    CYS  57           H        CYS  57   8.910   3.108   1.077
  408    HA   CYS  57           HA       CYS  57  10.059   0.434   1.149
  409    HB2  CYS  57           2HB      CYS  57   7.581   0.888   1.151
  410    HB3  CYS  57           1HB      CYS  57   7.740   1.401  -0.525
  411    H    VAL  58           H        VAL  58   9.806   3.143  -1.116
  412    HA   VAL  58           HA       VAL  58  10.817   1.563  -3.292
  413    HB   VAL  58           HB       VAL  58  10.152   4.498  -3.093
  414   HG11  VAL  58          1HG1      VAL  58  12.083   4.261  -4.582
  415   HG12  VAL  58          2HG1      VAL  58  10.622   4.689  -5.479
  416   HG13  VAL  58          3HG1      VAL  58  11.219   3.030  -5.503
  417   HG21  VAL  58          3HG2      VAL  58   8.241   3.044  -3.240
  418   HG22  VAL  58          1HG2      VAL  58   8.954   2.177  -4.601
  419   HG23  VAL  58          2HG2      VAL  58   8.452   3.856  -4.793
  420    H    THR  59           H        THR  59  12.244   3.887  -0.976
  421    HA   THR  59           HA       THR  59  14.676   3.931  -2.517
  422    HB   THR  59           HB       THR  59  15.685   5.214  -0.762
  423    HG1  THR  59           1HG      THR  59  13.343   5.204   0.789
  424   HG21  THR  59          3HG2      THR  59  12.854   6.160  -1.169
  425   HG22  THR  59          1HG2      THR  59  14.144   6.311  -2.363
  426   HG23  THR  59          2HG2      THR  59  14.268   7.157  -0.820
  427    H    ALA  60           H        ALA  60  13.784   2.605   0.633
  428    HA   ALA  60           HA       ALA  60  16.303   1.303   0.966
  429    HB1  ALA  60           1HB      ALA  60  15.011   2.053   2.882
  430    HB2  ALA  60           2HB      ALA  60  15.324   0.319   2.969
  431    HB3  ALA  60           3HB      ALA  60  13.733   0.905   2.479
  432    H    GLU  61           H        GLU  61  13.230   0.364  -0.314
  433    HA   GLU  61           HA       GLU  61  12.412  -1.520  -1.265
  434    HB2  GLU  61           2HB      GLU  61  15.318  -1.872  -1.979
  435    HB3  GLU  61           1HB      GLU  61  13.986  -2.735  -2.734
  436    HG2  GLU  61           2HG      GLU  61  13.081  -0.479  -3.411
  437    HG3  GLU  61           1HG      GLU  61  14.618   0.197  -2.878
  Start of MODEL    3
    1    H2   PRO   1           1HT      PRO   1  17.951  -3.215   0.492
    2    H3   PRO   1           2HT      PRO   1  16.897  -2.737  -0.669
    3    HA   PRO   1           HA       PRO   1  17.146  -4.473  -1.907
    4    HB2  PRO   1           2HB      PRO   1  19.695  -5.580  -1.158
    5    HB3  PRO   1           1HB      PRO   1  19.169  -4.972  -2.735
    6    HG2  PRO   1           2HG      PRO   1  20.663  -3.594  -0.596
    7    HG3  PRO   1           1HG      PRO   1  20.600  -3.243  -2.332
    8    HD2  PRO   1           2HD      PRO   1  19.410  -1.633  -0.554
    9    HD3  PRO   1           1HD      PRO   1  18.667  -1.960  -2.132
   10    H    ALA   2           H        ALA   2  17.126  -4.090   1.313
   11    HA   ALA   2           HA       ALA   2  15.947  -6.643   1.781
   12    HB1  ALA   2           1HB      ALA   2  18.307  -7.302   1.979
   13    HB2  ALA   2           2HB      ALA   2  17.467  -7.423   3.527
   14    HB3  ALA   2           3HB      ALA   2  18.545  -6.061   3.207
   15    H    GLN   3           H        GLN   3  14.322  -5.007   2.206
   16    HA   GLN   3           HA       GLN   3  14.816  -3.157   4.373
   17    HB2  GLN   3           2HB      GLN   3  12.093  -3.094   3.507
   18    HB3  GLN   3           1HB      GLN   3  13.335  -1.869   3.328
   19    HG2  GLN   3           2HG      GLN   3  12.642  -2.264   1.162
   20    HG3  GLN   3           1HG      GLN   3  14.108  -3.229   1.300
   21   HE21  GLN   3          1HE2      GLN   3  11.968  -3.544  -0.571
   22   HE22  GLN   3          2HE2      GLN   3  11.301  -5.133  -0.319
   23    H    ASP   4           H        ASP   4  11.842  -4.883   3.770
   24    HA   ASP   4           HA       ASP   4  11.712  -6.427   6.097
   25    HB2  ASP   4           2HB      ASP   4  11.862  -4.189   7.168
   26    HB3  ASP   4           1HB      ASP   4  10.392  -3.719   6.356
   27    H    TYR   5           H        TYR   5   9.124  -6.438   6.723
   28    HA   TYR   5           HA       TYR   5   7.836  -7.077   4.191
   29    HB2  TYR   5           2HB      TYR   5   7.188  -7.703   7.048
   30    HB3  TYR   5           1HB      TYR   5   5.957  -7.854   5.795
   31    HD1  TYR   5           1HD      TYR   5   9.386  -8.994   6.701
   32    HD2  TYR   5           2HD      TYR   5   5.850  -9.766   4.462
   33    HE1  TYR   5           1HE      TYR   5  10.272 -11.200   6.067
   34    HE2  TYR   5           2HE      TYR   5   6.725 -11.971   3.830
   35    HH   TYR   5           HH       TYR   5   9.533 -13.332   5.299
   36    H    ARG   6           H        ARG   6   7.972  -4.540   6.435
   37    HA   ARG   6           HA       ARG   6   5.428  -3.374   6.001
   38    HB2  ARG   6           2HB      ARG   6   6.385  -1.373   6.945
   39    HB3  ARG   6           1HB      ARG   6   6.979  -2.763   7.846
   40    HG2  ARG   6           2HG      ARG   6   9.050  -2.696   6.523
   41    HG3  ARG   6           1HG      ARG   6   8.444  -1.252   5.719
   42    HD2  ARG   6           2HD      ARG   6   9.920  -0.540   7.453
   43    HD3  ARG   6           1HD      ARG   6   8.275  -0.177   7.975
   44    HE   ARG   6           HE       ARG   6   9.074  -2.731   8.909
   45   HH11  ARG   6          1HH1      ARG   6   9.500   0.702   9.498
   46   HH12  ARG   6          2HH1      ARG   6   9.961   0.490  11.162
   47   HH21  ARG   6          1HH2      ARG   6   9.673  -3.016  11.099
   48   HH22  ARG   6          2HH2      ARG   6  10.036  -1.628  12.078
   49    H    CYS   7           H        CYS   7   8.024  -3.859   3.952
   50    HA   CYS   7           HA       CYS   7   7.314  -1.626   2.183
   51    HB2  CYS   7           2HB      CYS   7   9.726  -2.081   2.853
   52    HB3  CYS   7           1HB      CYS   7   9.625  -3.565   1.923
   53    H    GLN   8           H        GLN   8   5.795  -4.162   2.726
   54    HA   GLN   8           HA       GLN   8   5.087  -4.689  -0.000
   55    HB2  GLN   8           2HB      GLN   8   5.260  -7.266   0.502
   56    HB3  GLN   8           1HB      GLN   8   6.635  -6.379  -0.134
   57    HG2  GLN   8           2HG      GLN   8   7.547  -6.188   2.133
   58    HG3  GLN   8           1HG      GLN   8   6.176  -7.100   2.753
   59   HE21  GLN   8          1HE2      GLN   8   9.102  -7.623   2.737
   60   HE22  GLN   8          2HE2      GLN   8   9.265  -9.200   2.040
   61    H    LEU   9           H        LEU   9   4.646  -6.693   2.890
   62    HA   LEU   9           HA       LEU   9   2.794  -7.396   3.998
   63    HB2  LEU   9           2HB      LEU   9   2.104  -4.499   3.535
   64    HB3  LEU   9           1HB      LEU   9   1.167  -5.554   4.574
   65    HG   LEU   9           HG       LEU   9   4.084  -4.907   4.984
   66   HD11  LEU   9          1HD1      LEU   9   1.646  -3.817   6.377
   67   HD12  LEU   9          2HD1      LEU   9   2.714  -2.925   5.294
   68   HD13  LEU   9          3HD1      LEU   9   3.321  -3.514   6.840
   69   HD21  LEU   9          3HD2      LEU   9   3.427  -7.067   5.895
   70   HD22  LEU   9          1HD2      LEU   9   2.079  -6.310   6.745
   71   HD23  LEU   9          2HD2      LEU   9   3.738  -5.905   7.185
   72    H    SER  10           H        SER  10   0.056  -6.454   3.705
   73    HA   SER  10           HA       SER  10  -0.546  -7.827   1.190
   74    HB2  SER  10           2HB      SER  10  -2.745  -8.297   2.163
   75    HB3  SER  10           1HB      SER  10  -1.438  -8.941   3.150
   76    HG   SER  10           HG       SER  10  -1.687  -7.150   4.546
   77    H    ARG  11           H        ARG  11  -1.200  -6.692  -0.435
   78    HA   ARG  11           HA       ARG  11  -2.368  -4.049  -0.120
   79    HB2  ARG  11           2HB      ARG  11  -2.601  -4.473  -2.732
   80    HB3  ARG  11           1HB      ARG  11  -1.114  -3.889  -2.001
   81    HG2  ARG  11           2HG      ARG  11  -0.337  -6.220  -1.905
   82    HG3  ARG  11           1HG      ARG  11  -1.772  -6.704  -2.801
   83    HD2  ARG  11           2HD      ARG  11  -1.091  -5.161  -4.615
   84    HD3  ARG  11           1HD      ARG  11   0.377  -4.808  -3.705
   85    HE   ARG  11           HE       ARG  11   0.723  -7.358  -3.871
   86   HH11  ARG  11          1HH1      ARG  11  -0.652  -5.344  -6.411
   87   HH12  ARG  11          2HH1      ARG  11  -0.207  -6.448  -7.672
   88   HH21  ARG  11          1HH2      ARG  11   1.309  -8.784  -5.553
   89   HH22  ARG  11          2HH2      ARG  11   0.901  -8.385  -7.199
   90    H    ASN  12           H        ASN  12  -3.157  -7.289  -0.812
   91    HA   ASN  12           HA       ASN  12  -5.002  -8.508  -1.146
   92    HB2  ASN  12           2HB      ASN  12  -5.612  -7.543   1.044
   93    HB3  ASN  12           1HB      ASN  12  -6.394  -6.207   0.219
   94   HD21  ASN  12          1HD2      ASN  12  -6.568  -9.547   1.072
   95   HD22  ASN  12          2HD2      ASN  12  -8.221  -9.799   0.608
   96    H    TYR  13           H        TYR  13  -7.080  -5.776  -1.329
   97    HA   TYR  13           HA       TYR  13  -7.046  -5.145  -4.018
   98    HB2  TYR  13           2HB      TYR  13  -7.732  -7.664  -4.044
   99    HB3  TYR  13           1HB      TYR  13  -9.282  -7.060  -3.474
  100    HD1  TYR  13           2HD      TYR  13  -6.963  -7.203  -6.302
  101    HD2  TYR  13           1HD      TYR  13 -10.733  -5.763  -4.950
  102    HE1  TYR  13           2HE      TYR  13  -7.610  -6.735  -8.624
  103    HE2  TYR  13           1HE      TYR  13 -11.387  -5.293  -7.275
  104    HH   TYR  13           HH       TYR  13 -10.280  -4.837  -9.434
  105    H    GLY  14           H        GLY  14  -9.399  -6.097  -1.647
  106    HA2  GLY  14           2HA      GLY  14 -10.860  -4.899  -0.435
  107    HA3  GLY  14           1HA      GLY  14  -9.944  -3.464  -0.812
  108    H    LYS  15           H        LYS  15 -12.752  -5.343  -1.528
  109    HA   LYS  15           HA       LYS  15 -13.544  -4.187  -3.940
  110    HB2  LYS  15           2HB      LYS  15 -15.501  -4.868  -1.824
  111    HB3  LYS  15           1HB      LYS  15 -15.674  -5.040  -3.556
  112    HG2  LYS  15           2HG      LYS  15 -13.874  -6.666  -1.805
  113    HG3  LYS  15           1HG      LYS  15 -15.442  -7.190  -2.410
  114    HD2  LYS  15           2HD      LYS  15 -14.424  -6.692  -4.745
  115    HD3  LYS  15           1HD      LYS  15 -12.877  -6.764  -3.899
  116    HE2  LYS  15           2HE      LYS  15 -14.954  -8.932  -4.130
  117    HE3  LYS  15           1HE      LYS  15 -13.323  -8.935  -4.795
  118    HZ1  LYS  15           3HZ      LYS  15 -12.426  -9.047  -2.572
  119    HZ2  LYS  15           1HZ      LYS  15 -13.547 -10.301  -2.784
  120    HZ3  LYS  15           2HZ      LYS  15 -13.976  -8.927  -1.893
  121    H    GLY  16           H        GLY  16 -14.680  -3.435  -0.724
  122    HA2  GLY  16           2HA      GLY  16 -14.218  -1.003  -0.135
  123    HA3  GLY  16           1HA      GLY  16 -15.108  -0.654  -1.601
  124    H    SER  17           H        SER  17 -15.297  -1.598   1.697
  125    HA   SER  17           HA       SER  17 -18.178  -1.806   1.685
  126    HB2  SER  17           2HB      SER  17 -17.743  -1.844   4.236
  127    HB3  SER  17           1HB      SER  17 -17.203  -3.223   3.280
  128    HG   SER  17           HG       SER  17 -15.718  -1.918   4.887
  129    H    GLY  18           H        GLY  18 -15.685   0.407   2.723
  130    HA2  GLY  18           2HA      GLY  18 -17.733   2.528   2.906
  131    HA3  GLY  18           1HA      GLY  18 -16.263   2.513   3.868
  132    H    SER  19           H        SER  19 -14.715   1.540   1.551
  133    HA   SER  19           HA       SER  19 -13.218   2.405   0.113
  134    HB2  SER  19           2HB      SER  19 -14.194   3.785  -1.773
  135    HB3  SER  19           1HB      SER  19 -14.802   2.146  -1.564
  136    HG   SER  19           HG       SER  19 -16.203   4.101  -0.190
  137    H    PHE  20           H        PHE  20 -11.682   3.678   0.603
  138    HA   PHE  20           HA       PHE  20 -12.256   6.407   1.539
  139    HB2  PHE  20           2HB      PHE  20 -11.393   4.586   3.175
  140    HB3  PHE  20           1HB      PHE  20  -9.863   4.836   2.363
  141    HD1  PHE  20           1HD      PHE  20  -8.755   7.050   2.449
  142    HD2  PHE  20           2HD      PHE  20 -12.206   6.146   4.764
  143    HE1  PHE  20           1HE      PHE  20  -8.272   8.969   3.908
  144    HE2  PHE  20           2HE      PHE  20 -11.729   8.065   6.225
  145    HZ   PHE  20           HZ       PHE  20  -9.761   9.477   5.799
  146    H    THR  21           H        THR  21  -9.968   4.300   0.033
  147    HA   THR  21           HA       THR  21  -8.463   4.575  -1.688
  148    HB   THR  21           HB       THR  21  -9.121   7.499  -1.740
  149    HG1  THR  21           1HG      THR  21 -10.804   7.035  -3.026
  150   HG21  THR  21          3HG2      THR  21  -8.364   7.131  -4.156
  151   HG22  THR  21          1HG2      THR  21  -7.714   5.592  -3.584
  152   HG23  THR  21          2HG2      THR  21  -7.118   7.111  -2.907
  153    H    ASN  22           H        ASN  22  -6.731   4.119  -0.729
  154    HA   ASN  22           HA       ASN  22  -5.050   6.290   0.304
  155    HB2  ASN  22           2HB      ASN  22  -5.492   3.545   1.524
  156    HB3  ASN  22           1HB      ASN  22  -4.052   4.500   1.859
  157   HD21  ASN  22          1HD2      ASN  22  -7.498   4.273   2.286
  158   HD22  ASN  22          2HD2      ASN  22  -7.620   5.444   3.547
  159    H    TYR  23           H        TYR  23  -2.670   5.279   0.295
  160    HA   TYR  23           HA       TYR  23  -2.407   4.040  -2.341
  161    HB2  TYR  23           2HB      TYR  23  -0.339   5.353  -0.553
  162    HB3  TYR  23           1HB      TYR  23   0.037   4.574  -2.079
  163    HD1  TYR  23           1HD      TYR  23  -2.256   7.196  -0.726
  164    HD2  TYR  23           2HD      TYR  23   0.175   5.890  -3.955
  165    HE1  TYR  23           1HE      TYR  23  -2.715   9.303  -1.912
  166    HE2  TYR  23           2HE      TYR  23  -0.273   7.990  -5.153
  167    HH   TYR  23           HH       TYR  23  -1.787   9.782  -5.225
  168    H    TYR  24           H        TYR  24  -0.919   2.288  -2.632
  169    HA   TYR  24           HA       TYR  24   0.000   0.826  -0.293
  170    HB2  TYR  24           2HB      TYR  24  -1.110  -1.208  -0.765
  171    HB3  TYR  24           1HB      TYR  24  -2.365   0.019  -0.871
  172    HD1  TYR  24           2HD      TYR  24  -3.259   0.680  -3.099
  173    HD2  TYR  24           1HD      TYR  24  -0.463  -2.495  -2.668
  174    HE1  TYR  24           2HE      TYR  24  -3.829  -0.137  -5.348
  175    HE2  TYR  24           1HE      TYR  24  -1.020  -3.319  -4.859
  176    HH   TYR  24           HH       TYR  24  -2.202  -2.998  -6.728
  177    H    TYR  25           H        TYR  25   1.837  -0.381  -0.803
  178    HA   TYR  25           HA       TYR  25   3.099   0.311  -3.278
  179    HB2  TYR  25           2HB      TYR  25   4.304   0.116  -1.102
  180    HB3  TYR  25           1HB      TYR  25   4.025  -1.610  -1.159
  181    HD1  TYR  25           2HD      TYR  25   5.920   1.173  -2.608
  182    HD2  TYR  25           1HD      TYR  25   5.304  -3.038  -2.639
  183    HE1  TYR  25           2HE      TYR  25   7.987   0.885  -3.909
  184    HE2  TYR  25           1HE      TYR  25   7.366  -3.336  -3.943
  185    HH   TYR  25           HH       TYR  25   8.734  -1.834  -5.583
  186    H    ASP  26           H        ASP  26   2.678  -0.665  -5.103
  187    HA   ASP  26           HA       ASP  26   1.548  -3.366  -5.048
  188    HB2  ASP  26           2HB      ASP  26   0.214  -1.563  -6.101
  189    HB3  ASP  26           1HB      ASP  26   1.506  -1.327  -7.273
  190    H    LYS  27           H        LYS  27   2.643  -5.030  -5.791
  191    HA   LYS  27           HA       LYS  27   5.311  -4.599  -6.773
  192    HB2  LYS  27           2HB      LYS  27   4.709  -7.366  -6.690
  193    HB3  LYS  27           1HB      LYS  27   5.720  -6.430  -5.598
  194    HG2  LYS  27           2HG      LYS  27   3.281  -5.754  -4.714
  195    HG3  LYS  27           1HG      LYS  27   2.979  -7.404  -5.256
  196    HD2  LYS  27           2HD      LYS  27   3.589  -7.476  -2.942
  197    HD3  LYS  27           1HD      LYS  27   4.932  -8.133  -3.878
  198    HE2  LYS  27           2HE      LYS  27   4.888  -5.233  -3.174
  199    HE3  LYS  27           1HE      LYS  27   5.372  -6.412  -1.955
  200    HZ1  LYS  27           3HZ      LYS  27   6.683  -5.814  -4.548
  201    HZ2  LYS  27           1HZ      LYS  27   7.010  -7.237  -3.682
  202    HZ3  LYS  27           2HZ      LYS  27   7.342  -5.727  -2.989
  203    H    ALA  28           H        ALA  28   2.561  -4.505  -8.398
  204    HA   ALA  28           HA       ALA  28   3.636  -5.978 -10.710
  205    HB1  ALA  28           1HB      ALA  28   0.900  -4.763 -10.309
  206    HB2  ALA  28           2HB      ALA  28   1.303  -6.474 -10.165
  207    HB3  ALA  28           3HB      ALA  28   1.427  -5.667 -11.729
  208    H    THR  29           H        THR  29   3.504  -2.958  -9.300
  209    HA   THR  29           HA       THR  29   4.249  -1.685 -11.851
  210    HB   THR  29           HB       THR  29   2.047  -0.869 -11.028
  211    HG1  THR  29           1HG      THR  29   4.274   0.738 -11.433
  212   HG21  THR  29          3HG2      THR  29   3.634   0.154  -8.673
  213   HG22  THR  29          1HG2      THR  29   2.422  -1.124  -8.627
  214   HG23  THR  29          2HG2      THR  29   1.946   0.530  -9.019
  215    H    SER  30           H        SER  30   5.348  -2.819  -9.030
  216    HA   SER  30           HA       SER  30   7.221  -2.609  -7.790
  217    HB2  SER  30           2HB      SER  30   8.145  -1.147 -10.262
  218    HB3  SER  30           1HB      SER  30   9.211  -1.698  -8.971
  219    HG   SER  30           HG       SER  30   8.599  -3.070 -11.025
  220    H    SER  31           H        SER  31   5.181  -0.546  -7.450
  221    HA   SER  31           HA       SER  31   6.626   1.221  -5.787
  222    HB2  SER  31           2HB      SER  31   5.878   3.335  -7.060
  223    HB3  SER  31           1HB      SER  31   7.295   2.470  -7.657
  224    HG   SER  31           HG       SER  31   5.910   1.455  -9.199
  225    H    CYS  32           H        CYS  32   4.869   3.327  -5.580
  226    HA   CYS  32           HA       CYS  32   2.793   1.950  -4.122
  227    HB2  CYS  32           2HB      CYS  32   3.351   4.919  -4.325
  228    HB3  CYS  32           1HB      CYS  32   2.407   4.098  -3.072
  229    H    LYS  33           H        LYS  33   0.823   1.657  -4.771
  230    HA   LYS  33           HA       LYS  33  -0.358   3.282  -6.930
  231    HB2  LYS  33           2HB      LYS  33  -0.180   0.496  -6.547
  232    HB3  LYS  33           1HB      LYS  33  -1.863   0.944  -6.412
  233    HG2  LYS  33           2HG      LYS  33  -0.099   1.728  -8.717
  234    HG3  LYS  33           1HG      LYS  33  -1.118   0.295  -8.685
  235    HD2  LYS  33           2HD      LYS  33  -2.114   3.107  -8.344
  236    HD3  LYS  33           1HD      LYS  33  -2.188   2.179  -9.839
  237    HE2  LYS  33           2HE      LYS  33  -3.447   1.401  -7.238
  238    HE3  LYS  33           1HE      LYS  33  -4.312   2.112  -8.602
  239    HZ1  LYS  33           3HZ      LYS  33  -4.619  -0.256  -8.604
  240    HZ2  LYS  33           1HZ      LYS  33  -2.949  -0.528  -8.534
  241    HZ3  LYS  33           2HZ      LYS  33  -3.632   0.149  -9.924
  242    H    THR  34           H        THR  34  -3.010   2.636  -6.480
  243    HA   THR  34           HA       THR  34  -3.472   3.304  -3.660
  244    HB   THR  34           HB       THR  34  -5.499   4.658  -4.492
  245    HG1  THR  34           1HG      THR  34  -3.736   5.020  -6.722
  246   HG21  THR  34          3HG2      THR  34  -2.695   5.736  -4.687
  247   HG22  THR  34          1HG2      THR  34  -3.677   5.591  -3.225
  248   HG23  THR  34          2HG2      THR  34  -4.160   6.706  -4.511
  249    H    PHE  35           H        PHE  35  -5.716   3.019  -2.973
  250    HA   PHE  35           HA       PHE  35  -7.415   1.218  -4.402
  251    HB2  PHE  35           2HB      PHE  35  -7.217  -0.694  -2.898
  252    HB3  PHE  35           1HB      PHE  35  -5.686  -0.384  -3.696
  253    HD1  PHE  35           1HD      PHE  35  -5.665   2.101  -1.340
  254    HD2  PHE  35           2HD      PHE  35  -5.538  -2.151  -1.580
  255    HE1  PHE  35           1HE      PHE  35  -4.555   2.003   0.849
  256    HE2  PHE  35           2HE      PHE  35  -4.415  -2.241   0.604
  257    HZ   PHE  35           HZ       PHE  35  -3.921  -0.163   1.821
  258    H    ARG  36           H        ARG  36  -9.300   0.718  -3.217
  259    HA   ARG  36           HA       ARG  36 -10.362   2.977  -1.970
  260    HB2  ARG  36           2HB      ARG  36 -11.219   0.128  -2.162
  261    HB3  ARG  36           1HB      ARG  36 -12.251   1.381  -1.487
  262    HG2  ARG  36           2HG      ARG  36 -11.193   1.234  -4.298
  263    HG3  ARG  36           1HG      ARG  36 -12.862   0.976  -3.783
  264    HD2  ARG  36           2HD      ARG  36 -12.951   3.299  -2.978
  265    HD3  ARG  36           1HD      ARG  36 -11.301   3.546  -3.556
  266    HE   ARG  36           HE       ARG  36 -13.160   2.623  -5.570
  267   HH11  ARG  36          1HH1      ARG  36 -11.680   5.407  -4.021
  268   HH12  ARG  36          2HH1      ARG  36 -12.029   6.480  -5.344
  269   HH21  ARG  36          1HH2      ARG  36 -13.627   4.070  -7.305
  270   HH22  ARG  36          2HH2      ARG  36 -13.114   5.729  -7.186
  271    H    TYR  37           H        TYR  37  -8.615   0.330  -0.747
  272    HA   TYR  37           HA       TYR  37  -7.794  -0.142   1.304
  273    HB2  TYR  37           2HB      TYR  37  -7.532   2.086   2.000
  274    HB3  TYR  37           1HB      TYR  37  -9.263   2.387   1.985
  275    HD1  TYR  37           1HD      TYR  37  -6.581   0.619   3.874
  276    HD2  TYR  37           2HD      TYR  37 -10.525   2.218   3.946
  277    HE1  TYR  37           1HE      TYR  37  -6.675   0.274   6.308
  278    HE2  TYR  37           2HE      TYR  37 -10.629   1.875   6.378
  279    HH   TYR  37           HH       TYR  37  -7.943   1.270   8.270
  280    H    ARG  38           H        ARG  38 -10.902  -0.141   0.352
  281    HA   ARG  38           HA       ARG  38 -12.684  -1.493   0.664
  282    HB2  ARG  38           2HB      ARG  38 -10.993  -3.264   1.265
  283    HB3  ARG  38           1HB      ARG  38 -11.167  -2.777   2.946
  284    HG2  ARG  38           2HG      ARG  38 -13.690  -3.227   2.549
  285    HG3  ARG  38           1HG      ARG  38 -13.122  -4.156   1.161
  286    HD2  ARG  38           2HD      ARG  38 -11.711  -5.503   2.619
  287    HD3  ARG  38           1HD      ARG  38 -12.231  -4.557   4.014
  288    HE   ARG  38           HE       ARG  38 -14.152  -6.114   2.408
  289   HH11  ARG  38          1HH1      ARG  38 -12.665  -5.320   5.476
  290   HH12  ARG  38          2HH1      ARG  38 -13.780  -6.261   6.419
  291   HH21  ARG  38          1HH2      ARG  38 -15.617  -7.368   3.633
  292   HH22  ARG  38          2HH2      ARG  38 -15.473  -7.412   5.370
  293    H    GLY  39           H        GLY  39 -11.266  -0.916   3.843
  294    HA2  GLY  39           2HA      GLY  39 -12.221   0.854   5.254
  295    HA3  GLY  39           1HA      GLY  39 -13.797   0.390   4.637
  296    H    SER  40           H        SER  40 -11.218  -0.429   6.834
  297    HA   SER  40           HA       SER  40 -11.267  -1.359   8.875
  298    HB2  SER  40           2HB      SER  40 -13.289  -0.011   9.172
  299    HB3  SER  40           1HB      SER  40 -14.256  -1.308   8.482
  300    HG   SER  40           HG       SER  40 -14.053  -2.464  10.283
  301    H    GLY  41           H        GLY  41 -10.233  -3.262   8.408
  302    HA2  GLY  41           2HA      GLY  41 -10.563  -5.516   9.336
  303    HA3  GLY  41           1HA      GLY  41 -12.065  -5.588   8.429
  304    H    GLY  42           H        GLY  42 -10.025  -4.083   6.415
  305    HA2  GLY  42           2HA      GLY  42  -8.692  -6.487   5.434
  306    HA3  GLY  42           1HA      GLY  42  -9.886  -5.751   4.373
  307    H    ASN  43           H        ASN  43  -7.410  -5.957   3.418
  308    HA   ASN  43           HA       ASN  43  -5.668  -4.840   2.501
  309    HB2  ASN  43           2HB      ASN  43  -7.501  -2.504   3.027
  310    HB3  ASN  43           1HB      ASN  43  -6.059  -2.418   2.019
  311   HD21  ASN  43          1HD2      ASN  43  -7.207  -1.885   0.175
  312   HD22  ASN  43          2HD2      ASN  43  -8.226  -3.003  -0.654
  313    H    GLY  44           H        GLY  44  -4.300  -5.414   4.231
  314    HA2  GLY  44           2HA      GLY  44  -4.181  -3.955   6.657
  315    HA3  GLY  44           1HA      GLY  44  -3.014  -5.143   6.106
  316    H    ASN  45           H        ASN  45  -2.187  -3.821   3.718
  317    HA   ASN  45           HA       ASN  45  -0.355  -1.993   5.029
  318    HB2  ASN  45           2HB      ASN  45   0.423  -3.798   3.469
  319    HB3  ASN  45           1HB      ASN  45  -0.324  -2.900   2.150
  320   HD21  ASN  45          1HD2      ASN  45   1.796  -2.789   1.230
  321   HD22  ASN  45          2HD2      ASN  45   2.920  -1.601   1.789
  322    H    ARG  46           H        ARG  46  -1.790  -0.276   5.407
  323    HA   ARG  46           HA       ARG  46  -2.762   1.187   3.082
  324    HB2  ARG  46           2HB      ARG  46  -4.391   1.044   4.812
  325    HB3  ARG  46           1HB      ARG  46  -3.228   1.513   6.045
  326    HG2  ARG  46           2HG      ARG  46  -3.072   3.747   4.941
  327    HG3  ARG  46           1HG      ARG  46  -4.392   3.251   3.882
  328    HD2  ARG  46           2HD      ARG  46  -5.886   3.036   5.738
  329    HD3  ARG  46           1HD      ARG  46  -4.571   3.267   6.889
  330    HE   ARG  46           HE       ARG  46  -5.261   5.436   5.020
  331   HH11  ARG  46          1HH1      ARG  46  -5.056   4.192   8.290
  332   HH12  ARG  46          2HH1      ARG  46  -5.335   5.736   9.041
  333   HH21  ARG  46          1HH2      ARG  46  -5.632   7.484   6.001
  334   HH22  ARG  46          2HH2      ARG  46  -5.642   7.605   7.741
  335    H    PHE  47           H        PHE  47  -1.635   2.739   2.200
  336    HA   PHE  47           HA       PHE  47   0.210   4.318   3.880
  337    HB2  PHE  47           2HB      PHE  47   0.277   3.662   0.930
  338    HB3  PHE  47           1HB      PHE  47   1.252   4.941   1.640
  339    HD1  PHE  47           1HD      PHE  47   2.569   4.123   3.833
  340    HD2  PHE  47           2HD      PHE  47   1.311   1.646   0.612
  341    HE1  PHE  47           1HE      PHE  47   4.318   2.503   4.404
  342    HE2  PHE  47           2HE      PHE  47   3.064   0.015   1.179
  343    HZ   PHE  47           HZ       PHE  47   4.572   0.442   3.076
  344    H    LYS  48           H        LYS  48  -0.004   6.580   3.774
  345    HA   LYS  48           HA       LYS  48  -2.663   7.411   3.001
  346    HB2  LYS  48           2HB      LYS  48  -0.413   8.817   4.437
  347    HB3  LYS  48           1HB      LYS  48  -1.865   9.666   3.939
  348    HG2  LYS  48           2HG      LYS  48  -1.930   8.986   6.295
  349    HG3  LYS  48           1HG      LYS  48  -3.228   8.257   5.351
  350    HD2  LYS  48           2HD      LYS  48  -2.338   6.150   5.496
  351    HD3  LYS  48           1HD      LYS  48  -0.691   6.743   5.691
  352    HE2  LYS  48           2HE      LYS  48  -1.289   7.519   7.968
  353    HE3  LYS  48           1HE      LYS  48  -2.891   6.818   7.756
  354    HZ1  LYS  48           3HZ      LYS  48  -1.984   4.652   7.686
  355    HZ2  LYS  48           1HZ      LYS  48  -1.242   5.417   8.999
  356    HZ3  LYS  48           2HZ      LYS  48  -0.397   5.222   7.545
  357    H    THR  49           H        THR  49   0.648   8.170   2.083
  358    HA   THR  49           HA       THR  49  -0.367   9.171  -0.478
  359    HB   THR  49           HB       THR  49   1.450  10.874  -0.503
  360    HG1  THR  49           1HG      THR  49   1.939  11.295   2.004
  361   HG21  THR  49          3HG2      THR  49   0.331  12.486   0.954
  362   HG22  THR  49          1HG2      THR  49  -0.521  11.169   1.761
  363   HG23  THR  49          2HG2      THR  49  -0.845  11.519   0.063
  364    H    LEU  50           H        LEU  50   1.466   9.196  -2.162
  365    HA   LEU  50           HA       LEU  50   2.811   6.664  -1.928
  366    HB2  LEU  50           2HB      LEU  50   2.316   6.647  -4.091
  367    HB3  LEU  50           1HB      LEU  50   1.935   8.348  -4.076
  368    HG   LEU  50           HG       LEU  50   3.510   7.790  -5.826
  369   HD11  LEU  50          1HD1      LEU  50   4.548   9.547  -3.650
  370   HD12  LEU  50          2HD1      LEU  50   3.720   9.993  -5.142
  371   HD13  LEU  50          3HD1      LEU  50   5.373   9.380  -5.199
  372   HD21  LEU  50          3HD2      LEU  50   4.622   5.869  -4.924
  373   HD22  LEU  50          1HD2      LEU  50   5.364   6.828  -3.640
  374   HD23  LEU  50          2HD2      LEU  50   5.820   7.097  -5.324
  375    H    GLU  51           H        GLU  51   3.592  10.013  -1.669
  376    HA   GLU  51           HA       GLU  51   6.406   9.667  -1.780
  377    HB2  GLU  51           2HB      GLU  51   6.547  11.903  -0.751
  378    HB3  GLU  51           1HB      GLU  51   5.480  11.860  -2.144
  379    HG2  GLU  51           2HG      GLU  51   3.540  11.824  -0.683
  380    HG3  GLU  51           1HG      GLU  51   4.597  11.813   0.731
  381    H    ASP  52           H        ASP  52   4.049   9.414   0.764
  382    HA   ASP  52           HA       ASP  52   5.921   9.022   2.904
  383    HB2  ASP  52           2HB      ASP  52   3.547   9.653   3.279
  384    HB3  ASP  52           1HB      ASP  52   3.043   8.104   2.630
  385    H    CYS  53           H        CYS  53   3.885   6.919   0.986
  386    HA   CYS  53           HA       CYS  53   4.737   4.435   1.833
  387    HB2  CYS  53           2HB      CYS  53   2.838   4.545   0.444
  388    HB3  CYS  53           1HB      CYS  53   3.688   5.456  -0.797
  389    H    GLU  54           H        GLU  54   6.057   6.396  -0.843
  390    HA   GLU  54           HA       GLU  54   8.062   4.482  -1.491
  391    HB2  GLU  54           2HB      GLU  54   8.900   6.057  -3.038
  392    HB3  GLU  54           1HB      GLU  54   7.164   6.272  -3.061
  393    HG2  GLU  54           2HG      GLU  54   7.328   8.274  -1.779
  394    HG3  GLU  54           1HG      GLU  54   9.035   7.983  -1.451
  395    H    ALA  55           H        ALA  55   7.827   7.139   0.721
  396    HA   ALA  55           HA       ALA  55  10.499   7.698   1.076
  397    HB1  ALA  55           1HB      ALA  55   8.226   7.755   3.055
  398    HB2  ALA  55           2HB      ALA  55   8.906   9.106   2.145
  399    HB3  ALA  55           3HB      ALA  55   9.847   8.346   3.428
  400    H    THR  56           H        THR  56   8.533   5.539   3.096
  401    HA   THR  56           HA       THR  56  10.793   4.366   4.328
  402    HB   THR  56           HB       THR  56   8.785   4.290   5.567
  403    HG1  THR  56           1HG      THR  56  10.000   2.391   5.840
  404   HG21  THR  56          3HG2      THR  56   7.508   2.798   3.271
  405   HG22  THR  56          1HG2      THR  56   7.180   4.467   3.740
  406   HG23  THR  56          2HG2      THR  56   6.749   3.146   4.825
  407    H    CYS  57           H        CYS  57   8.689   3.212   1.720
  408    HA   CYS  57           HA       CYS  57   9.950   0.625   1.734
  409    HB2  CYS  57           2HB      CYS  57   7.496   1.112   1.285
  410    HB3  CYS  57           1HB      CYS  57   7.989   1.694  -0.297
  411    H    VAL  58           H        VAL  58   9.968   3.445  -0.429
  412    HA   VAL  58           HA       VAL  58  11.478   2.026  -2.412
  413    HB   VAL  58           HB       VAL  58  10.509   4.868  -2.241
  414   HG11  VAL  58          1HG1      VAL  58  12.232   3.710  -4.434
  415   HG12  VAL  58          2HG1      VAL  58  12.750   4.923  -3.261
  416   HG13  VAL  58          3HG1      VAL  58  11.481   5.305  -4.430
  417   HG21  VAL  58          3HG2      VAL  58   8.896   3.162  -2.880
  418   HG22  VAL  58          1HG2      VAL  58   9.975   2.594  -4.157
  419   HG23  VAL  58          2HG2      VAL  58   9.266   4.205  -4.255
  420    H    THR  59           H        THR  59  12.312   4.355   0.186
  421    HA   THR  59           HA       THR  59  14.972   4.718  -0.765
  422    HB   THR  59           HB       THR  59  15.558   5.470   1.472
  423    HG1  THR  59           1HG      THR  59  12.895   5.118   2.306
  424   HG21  THR  59          3HG2      THR  59  12.902   6.597   0.606
  425   HG22  THR  59          1HG2      THR  59  14.449   6.986  -0.144
  426   HG23  THR  59          2HG2      THR  59  14.151   7.423   1.539
  427    H    ALA  60           H        ALA  60  13.541   2.562   1.591
  428    HA   ALA  60           HA       ALA  60  15.871   1.172   2.306
  429    HB1  ALA  60           1HB      ALA  60  13.030   0.171   2.284
  430    HB2  ALA  60           2HB      ALA  60  13.812   1.044   3.602
  431    HB3  ALA  60           3HB      ALA  60  14.378  -0.564   3.149
  432    H    GLU  61           H        GLU  61  13.779   0.911  -0.435
  433    HA   GLU  61           HA       GLU  61  13.830  -0.254  -2.358
  434    HB2  GLU  61           2HB      GLU  61  16.717  -0.522  -1.557
  435    HB3  GLU  61           1HB      GLU  61  16.095  -1.116  -3.091
  436    HG2  GLU  61           2HG      GLU  61  15.273   1.229  -3.518
  437    HG3  GLU  61           1HG      GLU  61  16.215   1.719  -2.111
  Start of MODEL    4
    1    H2   PRO   1           1HT      PRO   1  17.040  -5.605  -0.156
    2    H3   PRO   1           2HT      PRO   1  17.462  -5.363  -1.722
    3    HA   PRO   1           HA       PRO   1  15.446  -5.605  -2.237
    4    HB2  PRO   1           2HB      PRO   1  14.976  -8.355  -1.481
    5    HB3  PRO   1           1HB      PRO   1  15.206  -7.668  -3.096
    6    HG2  PRO   1           2HG      PRO   1  17.040  -9.274  -1.865
    7    HG3  PRO   1           1HG      PRO   1  17.456  -8.051  -3.080
    8    HD2  PRO   1           2HD      PRO   1  17.644  -7.894  -0.087
    9    HD3  PRO   1           1HD      PRO   1  18.797  -7.339  -1.313
   10    H    ALA   2           H        ALA   2  14.214  -4.390  -0.928
   11    HA   ALA   2           HA       ALA   2  12.650  -3.840   0.612
   12    HB1  ALA   2           1HB      ALA   2  11.529  -5.885  -0.153
   13    HB2  ALA   2           2HB      ALA   2  11.229  -5.565   1.555
   14    HB3  ALA   2           3HB      ALA   2  12.387  -6.809   1.079
   15    H    GLN   3           H        GLN   3  13.727  -2.730   2.122
   16    HA   GLN   3           HA       GLN   3  15.557  -3.678   3.971
   17    HB2  GLN   3           2HB      GLN   3  15.232  -1.578   5.105
   18    HB3  GLN   3           1HB      GLN   3  15.173  -1.316   3.384
   19    HG2  GLN   3           2HG      GLN   3  12.826  -1.014   3.395
   20    HG3  GLN   3           1HG      GLN   3  12.709  -1.568   5.068
   21   HE21  GLN   3          1HE2      GLN   3  11.881   0.951   3.804
   22   HE22  GLN   3          2HE2      GLN   3  12.672   2.207   4.699
   23    H    ASP   4           H        ASP   4  12.140  -3.153   4.249
   24    HA   ASP   4           HA       ASP   4  11.979  -5.145   6.378
   25    HB2  ASP   4           2HB      ASP   4  12.036  -3.126   7.621
   26    HB3  ASP   4           1HB      ASP   4  10.914  -2.327   6.538
   27    H    TYR   5           H        TYR   5   9.684  -5.708   6.812
   28    HA   TYR   5           HA       TYR   5   8.625  -6.639   4.344
   29    HB2  TYR   5           2HB      TYR   5   7.745  -6.909   7.198
   30    HB3  TYR   5           1HB      TYR   5   6.757  -7.516   5.872
   31    HD1  TYR   5           2HD      TYR   5   7.491  -9.390   4.522
   32    HD2  TYR   5           1HD      TYR   5   9.866  -7.987   7.764
   33    HE1  TYR   5           2HE      TYR   5   8.815 -11.455   4.438
   34    HE2  TYR   5           1HE      TYR   5  11.201 -10.055   7.682
   35    HH   TYR   5           HH       TYR   5  11.142 -12.169   5.086
   36    H    ARG   6           H        ARG   6   8.073  -3.751   6.079
   37    HA   ARG   6           HA       ARG   6   5.410  -3.255   5.229
   38    HB2  ARG   6           2HB      ARG   6   5.833  -0.951   5.820
   39    HB3  ARG   6           1HB      ARG   6   6.555  -1.996   7.037
   40    HG2  ARG   6           2HG      ARG   6   8.733  -1.729   5.929
   41    HG3  ARG   6           1HG      ARG   6   7.978  -0.612   4.796
   42    HD2  ARG   6           2HD      ARG   6   8.190  -0.273   7.783
   43    HD3  ARG   6           1HD      ARG   6   9.124   0.598   6.568
   44    HE   ARG   6           HE       ARG   6   7.043   1.663   5.873
   45   HH11  ARG   6          1HH1      ARG   6   7.005  -0.028   8.936
   46   HH12  ARG   6          2HH1      ARG   6   5.747   0.967   9.615
   47   HH21  ARG   6          1HH2      ARG   6   5.395   2.993   6.767
   48   HH22  ARG   6          2HH2      ARG   6   4.862   2.701   8.398
   49    H    CYS   7           H        CYS   7   8.291  -3.518   3.539
   50    HA   CYS   7           HA       CYS   7   7.401  -1.841   1.309
   51    HB2  CYS   7           2HB      CYS   7   9.770  -1.740   2.099
   52    HB3  CYS   7           1HB      CYS   7   9.961  -3.423   1.636
   53    H    GLN   8           H        GLN   8   6.642  -4.761   2.407
   54    HA   GLN   8           HA       GLN   8   6.028  -5.730  -0.250
   55    HB2  GLN   8           2HB      GLN   8   6.759  -8.095   0.514
   56    HB3  GLN   8           1HB      GLN   8   7.964  -6.973  -0.096
   57    HG2  GLN   8           2HG      GLN   8   8.654  -6.444   2.163
   58    HG3  GLN   8           1HG      GLN   8   7.402  -7.500   2.814
   59   HE21  GLN   8          1HE2      GLN   8   7.770  -9.532   0.770
   60   HE22  GLN   8          2HE2      GLN   8   9.253 -10.338   1.158
   61    H    LEU   9           H        LEU   9   5.895  -7.849   2.513
   62    HA   LEU   9           HA       LEU   9   4.139  -9.095   3.254
   63    HB2  LEU   9           2HB      LEU   9   3.097  -6.295   3.607
   64    HB3  LEU   9           1HB      LEU   9   2.266  -7.705   4.232
   65    HG   LEU   9           HG       LEU   9   5.056  -6.855   5.014
   66   HD11  LEU   9          1HD1      LEU   9   4.017  -6.246   7.155
   67   HD12  LEU   9          2HD1      LEU   9   2.429  -6.593   6.471
   68   HD13  LEU   9          3HD1      LEU   9   3.401  -5.275   5.818
   69   HD21  LEU   9          3HD2      LEU   9   4.846  -8.543   6.755
   70   HD22  LEU   9          1HD2      LEU   9   4.684  -9.274   5.158
   71   HD23  LEU   9          2HD2      LEU   9   3.252  -8.991   6.149
   72    H    SER  10           H        SER  10   1.694  -6.899   2.478
   73    HA   SER  10           HA       SER  10   1.009  -8.071  -0.068
   74    HB2  SER  10           2HB      SER  10  -1.263  -8.683   0.785
   75    HB3  SER  10           1HB      SER  10   0.048  -9.688   1.396
   76    HG   SER  10           HG       SER  10  -1.634  -7.975   2.739
   77    H    ARG  11           H        ARG  11  -0.859  -6.946  -1.031
   78    HA   ARG  11           HA       ARG  11  -0.527  -4.118  -0.523
   79    HB2  ARG  11           2HB      ARG  11  -2.132  -4.133  -2.622
   80    HB3  ARG  11           1HB      ARG  11  -0.389  -4.321  -2.762
   81    HG2  ARG  11           2HG      ARG  11  -0.735  -6.750  -2.730
   82    HG3  ARG  11           1HG      ARG  11  -2.475  -6.482  -2.772
   83    HD2  ARG  11           2HD      ARG  11  -2.130  -5.181  -4.865
   84    HD3  ARG  11           1HD      ARG  11  -0.434  -5.660  -4.815
   85    HE   ARG  11           HE       ARG  11  -2.469  -7.770  -4.799
   86   HH11  ARG  11          1HH1      ARG  11  -0.027  -6.001  -6.582
   87   HH12  ARG  11          2HH1      ARG  11   0.160  -7.227  -7.786
   88   HH21  ARG  11          1HH2      ARG  11  -2.232  -9.383  -6.395
   89   HH22  ARG  11          2HH2      ARG  11  -1.086  -9.152  -7.678
   90    H    ASN  12           H        ASN  12  -2.872  -6.543  -0.127
   91    HA   ASN  12           HA       ASN  12  -5.213  -4.934  -0.037
   92    HB2  ASN  12           2HB      ASN  12  -4.821  -7.579  -0.192
   93    HB3  ASN  12           1HB      ASN  12  -5.074  -7.459   1.533
   94   HD21  ASN  12          1HD2      ASN  12  -6.667  -8.711  -0.581
   95   HD22  ASN  12          2HD2      ASN  12  -8.246  -8.017  -0.444
   96    H    TYR  13           H        TYR  13  -6.484  -5.697   2.193
   97    HA   TYR  13           HA       TYR  13  -5.083  -5.266   4.637
   98    HB2  TYR  13           2HB      TYR  13  -5.368  -2.913   3.643
   99    HB3  TYR  13           1HB      TYR  13  -7.087  -3.132   3.909
  100    HD1  TYR  13           1HD      TYR  13  -7.982  -3.340   6.201
  101    HD2  TYR  13           2HD      TYR  13  -3.882  -2.457   5.485
  102    HE1  TYR  13           1HE      TYR  13  -7.739  -2.609   8.534
  103    HE2  TYR  13           2HE      TYR  13  -3.629  -1.720   7.818
  104    HH   TYR  13           HH       TYR  13  -5.120  -0.844   9.654
  105    H    GLY  14           H        GLY  14  -8.013  -5.165   2.832
  106    HA2  GLY  14           2HA      GLY  14  -9.371  -7.291   3.549
  107    HA3  GLY  14           1HA      GLY  14  -9.573  -6.330   5.009
  108    H    LYS  15           H        LYS  15 -11.515  -5.415   5.033
  109    HA   LYS  15           HA       LYS  15 -12.422  -4.142   2.575
  110    HB2  LYS  15           2HB      LYS  15 -14.597  -4.048   4.152
  111    HB3  LYS  15           1HB      LYS  15 -14.277  -5.344   3.007
  112    HG2  LYS  15           2HG      LYS  15 -13.087  -6.507   4.892
  113    HG3  LYS  15           1HG      LYS  15 -13.797  -5.305   5.966
  114    HD2  LYS  15           2HD      LYS  15 -16.043  -5.972   5.137
  115    HD3  LYS  15           1HD      LYS  15 -15.276  -7.256   4.202
  116    HE2  LYS  15           2HE      LYS  15 -16.109  -8.188   6.251
  117    HE3  LYS  15           1HE      LYS  15 -14.346  -8.167   6.315
  118    HZ1  LYS  15           3HZ      LYS  15 -16.169  -6.215   7.617
  119    HZ2  LYS  15           1HZ      LYS  15 -14.473  -6.132   7.646
  120    HZ3  LYS  15           2HZ      LYS  15 -15.274  -7.422   8.402
  121    H    GLY  16           H        GLY  16 -13.794  -3.276   5.611
  122    HA2  GLY  16           2HA      GLY  16 -12.591  -1.684   7.059
  123    HA3  GLY  16           1HA      GLY  16 -12.067  -0.883   5.600
  124    H    SER  17           H        SER  17 -13.576   0.295   4.388
  125    HA   SER  17           HA       SER  17 -15.826   1.231   6.035
  126    HB2  SER  17           2HB      SER  17 -15.409   3.477   4.953
  127    HB3  SER  17           1HB      SER  17 -14.152   2.932   6.062
  128    HG   SER  17           HG       SER  17 -12.910   3.362   4.400
  129    H    GLY  18           H        GLY  18 -15.090   2.385   2.860
  130    HA2  GLY  18           2HA      GLY  18 -17.118   0.750   1.594
  131    HA3  GLY  18           1HA      GLY  18 -17.523   2.455   1.743
  132    H    SER  19           H        SER  19 -16.037   3.992   0.793
  133    HA   SER  19           HA       SER  19 -13.916   3.001  -0.856
  134    HB2  SER  19           2HB      SER  19 -14.825   4.312  -2.855
  135    HB3  SER  19           1HB      SER  19 -15.520   2.733  -2.502
  136    HG   SER  19           HG       SER  19 -16.618   5.307  -2.002
  137    H    PHE  20           H        PHE  20 -12.297   4.242  -0.594
  138    HA   PHE  20           HA       PHE  20 -12.613   7.147  -0.562
  139    HB2  PHE  20           2HB      PHE  20 -12.293   6.197   1.788
  140    HB3  PHE  20           1HB      PHE  20 -10.699   5.707   1.264
  141    HD1  PHE  20           2HD      PHE  20 -12.696   8.827   0.812
  142    HD2  PHE  20           1HD      PHE  20  -9.100   7.038   2.227
  143    HE1  PHE  20           2HE      PHE  20 -11.825  11.052   1.397
  144    HE2  PHE  20           1HE      PHE  20  -8.223   9.260   2.813
  145    HZ   PHE  20           HZ       PHE  20  -9.584  11.269   2.396
  146    H    THR  21           H        THR  21  -9.684   7.378  -0.164
  147    HA   THR  21           HA       THR  21  -8.598   5.756  -2.336
  148    HB   THR  21           HB       THR  21  -7.960   8.663  -2.479
  149    HG1  THR  21           1HG      THR  21 -10.127   8.875  -2.687
  150   HG21  THR  21          3HG2      THR  21  -8.333   6.673  -4.692
  151   HG22  THR  21          1HG2      THR  21  -6.842   6.751  -3.749
  152   HG23  THR  21          2HG2      THR  21  -7.367   8.150  -4.689
  153    H    ASN  22           H        ASN  22  -7.236   4.789  -1.028
  154    HA   ASN  22           HA       ASN  22  -5.095   6.418   0.197
  155    HB2  ASN  22           2HB      ASN  22  -6.060   3.617   0.868
  156    HB3  ASN  22           1HB      ASN  22  -4.604   4.350   1.536
  157   HD21  ASN  22          1HD2      ASN  22  -8.059   4.272   1.601
  158   HD22  ASN  22          2HD2      ASN  22  -8.265   5.296   2.977
  159    H    TYR  23           H        TYR  23  -2.970   4.965   0.082
  160    HA   TYR  23           HA       TYR  23  -2.856   4.153  -2.741
  161    HB2  TYR  23           2HB      TYR  23  -0.603   5.134  -0.966
  162    HB3  TYR  23           1HB      TYR  23  -0.474   4.743  -2.675
  163    HD1  TYR  23           1HD      TYR  23  -2.493   6.927  -0.432
  164    HD2  TYR  23           2HD      TYR  23  -0.524   6.511  -4.165
  165    HE1  TYR  23           1HE      TYR  23  -3.025   9.267  -0.958
  166    HE2  TYR  23           2HE      TYR  23  -1.052   8.852  -4.711
  167    HH   TYR  23           HH       TYR  23  -2.737  10.573  -4.052
  168    H    TYR  24           H        TYR  24  -1.368   2.378  -3.253
  169    HA   TYR  24           HA       TYR  24  -0.428   0.757  -1.037
  170    HB2  TYR  24           2HB      TYR  24  -1.641  -1.170  -1.465
  171    HB3  TYR  24           1HB      TYR  24  -2.852   0.069  -1.747
  172    HD1  TYR  24           2HD      TYR  24  -3.601   0.566  -4.061
  173    HD2  TYR  24           1HD      TYR  24  -0.821  -2.546  -3.242
  174    HE1  TYR  24           2HE      TYR  24  -4.027  -0.412  -6.284
  175    HE2  TYR  24           1HE      TYR  24  -1.232  -3.532  -5.404
  176    HH   TYR  24           HH       TYR  24  -3.039  -1.889  -7.877
  177    H    TYR  25           H        TYR  25   1.331  -0.520  -1.604
  178    HA   TYR  25           HA       TYR  25   2.625   0.386  -4.024
  179    HB2  TYR  25           2HB      TYR  25   3.839   0.336  -1.868
  180    HB3  TYR  25           1HB      TYR  25   3.654  -1.405  -1.829
  181    HD1  TYR  25           1HD      TYR  25   4.909  -2.826  -3.414
  182    HD2  TYR  25           2HD      TYR  25   5.530   1.377  -3.221
  183    HE1  TYR  25           1HE      TYR  25   7.009  -3.084  -4.664
  184    HE2  TYR  25           2HE      TYR  25   7.636   1.130  -4.468
  185    HH   TYR  25           HH       TYR  25   8.445  -1.600  -6.175
  186    H    ASP  26           H        ASP  26   2.805  -0.696  -5.840
  187    HA   ASP  26           HA       ASP  26   2.061  -3.542  -5.864
  188    HB2  ASP  26           2HB      ASP  26   0.610  -2.188  -7.261
  189    HB3  ASP  26           1HB      ASP  26   2.004  -1.483  -8.073
  190    H    LYS  27           H        LYS  27   3.735  -4.858  -5.936
  191    HA   LYS  27           HA       LYS  27   6.310  -3.885  -6.746
  192    HB2  LYS  27           2HB      LYS  27   6.717  -6.501  -6.141
  193    HB3  LYS  27           1HB      LYS  27   6.797  -5.175  -4.985
  194    HG2  LYS  27           2HG      LYS  27   4.276  -5.536  -4.779
  195    HG3  LYS  27           1HG      LYS  27   4.597  -7.125  -5.475
  196    HD2  LYS  27           2HD      LYS  27   4.608  -7.320  -3.073
  197    HD3  LYS  27           1HD      LYS  27   6.259  -7.515  -3.661
  198    HE2  LYS  27           2HE      LYS  27   5.337  -4.795  -2.898
  199    HE3  LYS  27           1HE      LYS  27   5.689  -5.946  -1.607
  200    HZ1  LYS  27           3HZ      LYS  27   7.577  -5.070  -3.742
  201    HZ2  LYS  27           1HZ      LYS  27   7.916  -6.236  -2.554
  202    HZ3  LYS  27           2HZ      LYS  27   7.629  -4.629  -2.106
  203    H    ALA  28           H        ALA  28   4.064  -4.514  -8.709
  204    HA   ALA  28           HA       ALA  28   5.500  -6.436 -10.395
  205    HB1  ALA  28           1HB      ALA  28   2.801  -5.144 -10.808
  206    HB2  ALA  28           2HB      ALA  28   3.084  -6.766 -10.174
  207    HB3  ALA  28           3HB      ALA  28   3.527  -6.379 -11.837
  208    H    THR  29           H        THR  29   4.967  -3.114  -9.895
  209    HA   THR  29           HA       THR  29   6.487  -2.509 -12.335
  210    HB   THR  29           HB       THR  29   4.165  -1.824 -12.683
  211    HG1  THR  29           1HG      THR  29   5.987  -0.463 -13.424
  212   HG21  THR  29          3HG2      THR  29   4.534  -0.061 -10.260
  213   HG22  THR  29          1HG2      THR  29   3.558  -1.532 -10.315
  214   HG23  THR  29          2HG2      THR  29   3.110  -0.134 -11.295
  215    H    SER  30           H        SER  30   6.300  -2.408  -9.032
  216    HA   SER  30           HA       SER  30   7.677  -1.670  -7.414
  217    HB2  SER  30           2HB      SER  30   9.469  -2.177  -9.106
  218    HB3  SER  30           1HB      SER  30   9.415  -0.483  -9.587
  219    HG   SER  30           HG       SER  30   9.709  -1.045  -6.866
  220    H    SER  31           H        SER  31   5.481  -0.198  -7.720
  221    HA   SER  31           HA       SER  31   6.365   2.307  -6.647
  222    HB2  SER  31           2HB      SER  31   4.880   3.631  -8.273
  223    HB3  SER  31           1HB      SER  31   6.452   3.090  -8.859
  224    HG   SER  31           HG       SER  31   5.149   2.416 -10.442
  225    H    CYS  32           H        CYS  32   4.182   3.744  -6.450
  226    HA   CYS  32           HA       CYS  32   2.410   1.942  -4.944
  227    HB2  CYS  32           2HB      CYS  32   2.912   4.894  -4.537
  228    HB3  CYS  32           1HB      CYS  32   1.985   3.829  -3.479
  229    H    LYS  33           H        LYS  33   0.416   1.722  -5.621
  230    HA   LYS  33           HA       LYS  33  -0.753   3.668  -7.495
  231    HB2  LYS  33           2HB      LYS  33  -0.601   1.239  -8.153
  232    HB3  LYS  33           1HB      LYS  33  -1.699   0.860  -6.846
  233    HG2  LYS  33           2HG      LYS  33  -2.855   0.913  -8.976
  234    HG3  LYS  33           1HG      LYS  33  -3.434   2.208  -7.926
  235    HD2  LYS  33           2HD      LYS  33  -1.201   2.892  -9.737
  236    HD3  LYS  33           1HD      LYS  33  -2.756   2.566 -10.494
  237    HE2  LYS  33           2HE      LYS  33  -2.623   4.410  -8.154
  238    HE3  LYS  33           1HE      LYS  33  -2.145   4.995  -9.752
  239    HZ1  LYS  33           3HZ      LYS  33  -4.339   4.263 -10.579
  240    HZ2  LYS  33           1HZ      LYS  33  -4.451   5.469  -9.390
  241    HZ3  LYS  33           2HZ      LYS  33  -4.788   3.855  -8.995
  242    H    THR  34           H        THR  34  -3.427   3.113  -7.054
  243    HA   THR  34           HA       THR  34  -3.782   3.779  -4.213
  244    HB   THR  34           HB       THR  34  -5.753   5.218  -5.023
  245    HG1  THR  34           1HG      THR  34  -5.470   6.122  -7.071
  246   HG21  THR  34          3HG2      THR  34  -2.913   6.150  -5.350
  247   HG22  THR  34          1HG2      THR  34  -3.826   6.064  -3.841
  248   HG23  THR  34          2HG2      THR  34  -4.322   7.188  -5.111
  249    H    PHE  35           H        PHE  35  -6.111   3.662  -3.542
  250    HA   PHE  35           HA       PHE  35  -7.897   1.932  -4.910
  251    HB2  PHE  35           2HB      PHE  35  -7.686  -0.088  -3.683
  252    HB3  PHE  35           1HB      PHE  35  -6.069   0.306  -4.235
  253    HD1  PHE  35           1HD      PHE  35  -5.492   2.415  -2.035
  254    HD2  PHE  35           2HD      PHE  35  -7.102  -1.528  -1.953
  255    HE1  PHE  35           1HE      PHE  35  -4.676   2.121   0.266
  256    HE2  PHE  35           2HE      PHE  35  -6.286  -1.820   0.346
  257    HZ   PHE  35           HZ       PHE  35  -5.071   0.008   1.460
  258    H    ARG  36           H        ARG  36  -9.701   1.360  -3.578
  259    HA   ARG  36           HA       ARG  36 -10.594   3.687  -2.221
  260    HB2  ARG  36           2HB      ARG  36 -11.713   0.922  -2.566
  261    HB3  ARG  36           1HB      ARG  36 -12.642   2.287  -1.964
  262    HG2  ARG  36           2HG      ARG  36 -11.407   2.010  -4.693
  263    HG3  ARG  36           1HG      ARG  36 -13.129   1.921  -4.306
  264    HD2  ARG  36           2HD      ARG  36 -13.182   4.209  -3.686
  265    HD3  ARG  36           1HD      ARG  36 -11.427   4.326  -3.722
  266    HE   ARG  36           HE       ARG  36 -12.828   3.705  -6.214
  267   HH11  ARG  36          1HH1      ARG  36 -11.039   5.970  -4.242
  268   HH12  ARG  36          2HH1      ARG  36 -10.651   7.018  -5.570
  269   HH21  ARG  36          1HH2      ARG  36 -12.339   5.095  -7.967
  270   HH22  ARG  36          2HH2      ARG  36 -11.373   6.519  -7.695
  271    H    TYR  37           H        TYR  37  -8.834   1.030  -1.303
  272    HA   TYR  37           HA       TYR  37  -8.021   0.265   0.612
  273    HB2  TYR  37           2HB      TYR  37  -7.828   2.307   1.704
  274    HB3  TYR  37           1HB      TYR  37  -9.576   2.543   1.770
  275    HD1  TYR  37           1HD      TYR  37  -6.734   0.713   3.260
  276    HD2  TYR  37           2HD      TYR  37 -10.853   1.727   3.604
  277    HE1  TYR  37           1HE      TYR  37  -6.749  -0.143   5.568
  278    HE2  TYR  37           2HE      TYR  37 -10.878   0.877   5.907
  279    HH   TYR  37           HH       TYR  37  -9.564  -0.760   7.280
  280    H    ARG  38           H        ARG  38 -11.447   0.714   0.490
  281    HA   ARG  38           HA       ARG  38 -11.996  -1.651   2.039
  282    HB2  ARG  38           2HB      ARG  38 -13.481   0.458   1.830
  283    HB3  ARG  38           1HB      ARG  38 -13.958  -0.196   0.272
  284    HG2  ARG  38           2HG      ARG  38 -14.217  -1.830   2.768
  285    HG3  ARG  38           1HG      ARG  38 -15.439  -0.642   2.325
  286    HD2  ARG  38           2HD      ARG  38 -14.575  -3.062   0.751
  287    HD3  ARG  38           1HD      ARG  38 -16.138  -2.783   1.518
  288    HE   ARG  38           HE       ARG  38 -15.335  -0.877  -0.525
  289   HH11  ARG  38          1HH1      ARG  38 -17.295  -3.638   0.351
  290   HH12  ARG  38          2HH1      ARG  38 -18.265  -3.564  -1.095
  291   HH21  ARG  38          1HH2      ARG  38 -16.564  -0.795  -2.435
  292   HH22  ARG  38          2HH2      ARG  38 -17.825  -1.969  -2.692
  293    H    GLY  39           H        GLY  39 -10.400  -2.699   0.576
  294    HA2  GLY  39           2HA      GLY  39 -10.866  -3.266  -2.121
  295    HA3  GLY  39           1HA      GLY  39  -9.921  -4.269  -1.032
  296    H    SER  40           H        SER  40 -11.205  -5.735   0.401
  297    HA   SER  40           HA       SER  40 -13.798  -6.561  -0.212
  298    HB2  SER  40           2HB      SER  40 -12.682  -7.091  -2.419
  299    HB3  SER  40           1HB      SER  40 -11.705  -8.272  -1.551
  300    HG   SER  40           HG       SER  40 -13.771  -8.959  -2.646
  301    H    GLY  41           H        GLY  41 -10.928  -8.520   0.022
  302    HA2  GLY  41           2HA      GLY  41 -11.238  -8.881   2.857
  303    HA3  GLY  41           1HA      GLY  41 -11.650 -10.295   1.898
  304    H    GLY  42           H        GLY  42  -9.342  -9.420   3.781
  305    HA2  GLY  42           2HA      GLY  42  -7.338 -11.039   3.021
  306    HA3  GLY  42           1HA      GLY  42  -7.045  -9.624   2.018
  307    H    ASN  43           H        ASN  43  -5.167  -8.947   2.955
  308    HA   ASN  43           HA       ASN  43  -5.372  -7.473   5.391
  309    HB2  ASN  43           2HB      ASN  43  -5.115  -9.811   6.247
  310    HB3  ASN  43           1HB      ASN  43  -3.567  -9.903   5.419
  311   HD21  ASN  43          1HD2      ASN  43  -5.339  -8.367   8.016
  312   HD22  ASN  43          2HD2      ASN  43  -3.945  -7.838   8.901
  313    H    GLY  44           H        GLY  44  -3.236  -6.410   5.909
  314    HA2  GLY  44           2HA      GLY  44  -0.931  -6.438   4.510
  315    HA3  GLY  44           1HA      GLY  44  -2.020  -5.587   3.421
  316    H    ASN  45           H        ASN  45  -1.601  -3.481   3.524
  317    HA   ASN  45           HA       ASN  45  -1.697  -2.130   6.085
  318    HB2  ASN  45           2HB      ASN  45   0.694  -2.778   5.870
  319    HB3  ASN  45           1HB      ASN  45   0.769  -1.913   4.338
  320   HD21  ASN  45          1HD2      ASN  45   2.290  -0.443   4.980
  321   HD22  ASN  45          2HD2      ASN  45   1.972   0.797   6.142
  322    H    ARG  46           H        ARG  46  -2.285   0.020   5.891
  323    HA   ARG  46           HA       ARG  46  -3.103   0.880   3.222
  324    HB2  ARG  46           2HB      ARG  46  -4.859   1.156   4.802
  325    HB3  ARG  46           1HB      ARG  46  -3.772   1.869   5.996
  326    HG2  ARG  46           2HG      ARG  46  -3.452   3.711   4.183
  327    HG3  ARG  46           1HG      ARG  46  -4.972   3.086   3.552
  328    HD2  ARG  46           2HD      ARG  46  -4.490   4.129   6.343
  329    HD3  ARG  46           1HD      ARG  46  -5.322   4.986   5.051
  330    HE   ARG  46           HE       ARG  46  -6.409   2.429   5.981
  331   HH11  ARG  46          1HH1      ARG  46  -6.655   5.913   5.721
  332   HH12  ARG  46          2HH1      ARG  46  -8.306   5.973   6.278
  333   HH21  ARG  46          1HH2      ARG  46  -8.591   2.509   6.734
  334   HH22  ARG  46          2HH2      ARG  46  -9.397   4.042   6.864
  335    H    PHE  47           H        PHE  47  -2.038   2.394   2.108
  336    HA   PHE  47           HA       PHE  47   0.004   3.965   3.526
  337    HB2  PHE  47           2HB      PHE  47  -0.321   3.355   0.578
  338    HB3  PHE  47           1HB      PHE  47   0.873   4.480   1.227
  339    HD1  PHE  47           1HD      PHE  47   2.319   3.473   3.189
  340    HD2  PHE  47           2HD      PHE  47   0.363   1.193   0.182
  341    HE1  PHE  47           1HE      PHE  47   3.875   1.620   3.591
  342    HE2  PHE  47           2HE      PHE  47   1.920  -0.672   0.574
  343    HZ   PHE  47           HZ       PHE  47   3.685  -0.459   2.282
  344    H    LYS  48           H        LYS  48  -0.316   6.044   3.820
  345    HA   LYS  48           HA       LYS  48  -2.918   7.105   3.214
  346    HB2  LYS  48           2HB      LYS  48  -0.511   8.206   4.684
  347    HB3  LYS  48           1HB      LYS  48  -1.982   9.132   4.460
  348    HG2  LYS  48           2HG      LYS  48  -1.720   8.010   6.693
  349    HG3  LYS  48           1HG      LYS  48  -3.227   7.670   5.845
  350    HD2  LYS  48           2HD      LYS  48  -2.651   5.484   5.424
  351    HD3  LYS  48           1HD      LYS  48  -0.922   5.816   5.484
  352    HE2  LYS  48           2HE      LYS  48  -2.654   5.991   7.929
  353    HE3  LYS  48           1HE      LYS  48  -1.957   4.462   7.393
  354    HZ1  LYS  48           3HZ      LYS  48  -0.442   5.325   8.928
  355    HZ2  LYS  48           1HZ      LYS  48  -0.541   6.899   8.299
  356    HZ3  LYS  48           2HZ      LYS  48   0.245   5.681   7.422
  357    H    THR  49           H        THR  49   0.396   7.762   2.285
  358    HA   THR  49           HA       THR  49  -0.593   9.131  -0.112
  359    HB   THR  49           HB       THR  49   1.377  10.663   0.027
  360    HG1  THR  49           1HG      THR  49   2.009  10.791   2.483
  361   HG21  THR  49          3HG2      THR  49   0.410  12.180   1.693
  362   HG22  THR  49          1HG2      THR  49  -0.560  10.855   2.335
  363   HG23  THR  49          2HG2      THR  49  -0.846  11.441   0.697
  364    H    LEU  50           H        LEU  50   0.966   9.017  -1.915
  365    HA   LEU  50           HA       LEU  50   2.315   6.474  -1.881
  366    HB2  LEU  50           2HB      LEU  50   1.733   6.502  -4.018
  367    HB3  LEU  50           1HB      LEU  50   1.188   8.148  -3.861
  368    HG   LEU  50           HG       LEU  50   2.610   7.908  -5.777
  369   HD11  LEU  50          1HD1      LEU  50   3.882   9.513  -3.593
  370   HD12  LEU  50          2HD1      LEU  50   2.717  10.049  -4.803
  371   HD13  LEU  50          3HD1      LEU  50   4.352   9.604  -5.289
  372   HD21  LEU  50          3HD2      LEU  50   3.944   6.007  -5.198
  373   HD22  LEU  50          1HD2      LEU  50   4.755   6.900  -3.907
  374   HD23  LEU  50          2HD2      LEU  50   5.006   7.357  -5.594
  375    H    GLU  51           H        GLU  51   3.107   9.778  -1.517
  376    HA   GLU  51           HA       GLU  51   5.892   9.577  -1.931
  377    HB2  GLU  51           2HB      GLU  51   6.070  11.648  -0.611
  378    HB3  GLU  51           1HB      GLU  51   4.789  11.754  -1.810
  379    HG2  GLU  51           2HG      GLU  51   3.107  11.489  -0.172
  380    HG3  GLU  51           1HG      GLU  51   4.280  11.016   1.055
  381    H    ASP  52           H        ASP  52   3.845   8.923   0.809
  382    HA   ASP  52           HA       ASP  52   5.934   8.363   2.687
  383    HB2  ASP  52           2HB      ASP  52   3.564   8.910   3.312
  384    HB3  ASP  52           1HB      ASP  52   3.067   7.371   2.634
  385    H    CYS  53           H        CYS  53   3.729   6.424   0.785
  386    HA   CYS  53           HA       CYS  53   4.686   3.884   1.298
  387    HB2  CYS  53           2HB      CYS  53   2.624   4.163   0.153
  388    HB3  CYS  53           1HB      CYS  53   3.375   5.112  -1.125
  389    H    GLU  54           H        GLU  54   5.722   6.149  -1.265
  390    HA   GLU  54           HA       GLU  54   7.629   4.312  -2.334
  391    HB2  GLU  54           2HB      GLU  54   8.251   6.016  -3.847
  392    HB3  GLU  54           1HB      GLU  54   6.526   6.213  -3.617
  393    HG2  GLU  54           2HG      GLU  54   6.859   8.102  -2.211
  394    HG3  GLU  54           1HG      GLU  54   8.598   7.824  -2.164
  395    H    ALA  55           H        ALA  55   7.676   6.822   0.066
  396    HA   ALA  55           HA       ALA  55  10.375   7.368   0.136
  397    HB1  ALA  55           1HB      ALA  55   8.330   7.297   2.355
  398    HB2  ALA  55           2HB      ALA  55   8.954   8.705   1.489
  399    HB3  ALA  55           3HB      ALA  55   9.995   7.825   2.610
  400    H    THR  56           H        THR  56   8.672   5.138   2.298
  401    HA   THR  56           HA       THR  56  11.038   3.973   3.253
  402    HB   THR  56           HB       THR  56   9.039   3.905   4.593
  403    HG1  THR  56           1HG      THR  56  10.100   2.212   5.296
  404   HG21  THR  56          3HG2      THR  56   7.877   2.100   2.469
  405   HG22  THR  56          1HG2      THR  56   7.355   3.744   2.843
  406   HG23  THR  56          2HG2      THR  56   7.134   2.456   4.030
  407    H    CYS  57           H        CYS  57   8.798   2.901   0.713
  408    HA   CYS  57           HA       CYS  57  10.180   0.345   0.621
  409    HB2  CYS  57           2HB      CYS  57   7.674   0.561   0.540
  410    HB3  CYS  57           1HB      CYS  57   7.848   1.244  -1.073
  411    H    VAL  58           H        VAL  58   9.612   3.119  -1.547
  412    HA   VAL  58           HA       VAL  58  10.884   1.853  -3.757
  413    HB   VAL  58           HB       VAL  58   9.936   4.673  -3.294
  414   HG11  VAL  58          1HG1      VAL  58  10.630   5.278  -5.545
  415   HG12  VAL  58          2HG1      VAL  58  11.386   3.700  -5.761
  416   HG13  VAL  58          3HG1      VAL  58  12.040   4.835  -4.578
  417   HG21  VAL  58          3HG2      VAL  58   8.487   4.110  -5.219
  418   HG22  VAL  58          1HG2      VAL  58   8.260   3.021  -3.848
  419   HG23  VAL  58          2HG2      VAL  58   9.195   2.495  -5.249
  420    H    THR  59           H        THR  59  12.058   4.032  -1.179
  421    HA   THR  59           HA       THR  59  14.580   4.410  -2.465
  422    HB   THR  59           HB       THR  59  15.427   5.233  -0.357
  423    HG1  THR  59           1HG      THR  59  12.941   4.919   0.898
  424   HG21  THR  59          3HG2      THR  59  12.646   6.267  -0.868
  425   HG22  THR  59          1HG2      THR  59  14.071   6.694  -1.815
  426   HG23  THR  59          2HG2      THR  59  13.975   7.147  -0.112
  427    H    ALA  60           H        ALA  60  13.487   2.328   0.153
  428    HA   ALA  60           HA       ALA  60  15.859   0.973   0.632
  429    HB1  ALA  60           1HB      ALA  60  14.518  -0.672   1.725
  430    HB2  ALA  60           2HB      ALA  60  13.080  -0.126   0.875
  431    HB3  ALA  60           3HB      ALA  60  13.860   0.923   2.061
  432    H    GLU  61           H        GLU  61  13.294   0.251  -1.642
  433    HA   GLU  61           HA       GLU  61  13.120  -1.094  -3.440
  434    HB2  GLU  61           2HB      GLU  61  16.121  -1.174  -3.235
  435    HB3  GLU  61           1HB      GLU  61  15.201  -1.821  -4.590
  436    HG2  GLU  61           2HG      GLU  61  14.244   0.524  -4.829
  437    HG3  GLU  61           1HG      GLU  61  15.525   1.032  -3.728
  Start of MODEL    5
    1    H2   PRO   1           1HT      PRO   1  15.719 -10.489   2.259
    2    H3   PRO   1           2HT      PRO   1  15.020 -10.204   0.804
    3    HA   PRO   1           HA       PRO   1  13.862  -8.498   1.468
    4    HB2  PRO   1           2HB      PRO   1  13.819  -8.796   4.346
    5    HB3  PRO   1           1HB      PRO   1  12.462  -8.665   3.218
    6    HG2  PRO   1           2HG      PRO   1  13.722 -11.063   4.346
    7    HG3  PRO   1           1HG      PRO   1  12.122 -10.874   3.611
    8    HD2  PRO   1           2HD      PRO   1  14.083 -12.241   2.378
    9    HD3  PRO   1           1HD      PRO   1  12.927 -11.253   1.462
   10    H    ALA   2           H        ALA   2  14.534  -6.485   2.446
   11    HA   ALA   2           HA       ALA   2  17.384  -6.563   3.216
   12    HB1  ALA   2           1HB      ALA   2  15.909  -4.351   1.792
   13    HB2  ALA   2           2HB      ALA   2  16.947  -5.547   1.017
   14    HB3  ALA   2           3HB      ALA   2  17.633  -4.394   2.164
   15    H    GLN   3           H        GLN   3  14.517  -4.476   3.542
   16    HA   GLN   3           HA       GLN   3  15.556  -3.338   5.989
   17    HB2  GLN   3           2HB      GLN   3  12.792  -2.710   5.287
   18    HB3  GLN   3           1HB      GLN   3  14.124  -1.633   5.644
   19    HG2  GLN   3           2HG      GLN   3  13.422  -1.178   3.442
   20    HG3  GLN   3           1HG      GLN   3  14.959  -2.025   3.325
   21   HE21  GLN   3          1HE2      GLN   3  14.539  -2.639   1.217
   22   HE22  GLN   3          2HE2      GLN   3  13.384  -3.873   0.826
   23    H    ASP   4           H        ASP   4  12.359  -4.479   5.169
   24    HA   ASP   4           HA       ASP   4  12.127  -6.227   7.437
   25    HB2  ASP   4           2HB      ASP   4  11.898  -3.911   8.407
   26    HB3  ASP   4           1HB      ASP   4  10.490  -3.682   7.396
   27    H    TYR   5           H        TYR   5   9.267  -6.046   7.567
   28    HA   TYR   5           HA       TYR   5   8.605  -7.316   5.024
   29    HB2  TYR   5           2HB      TYR   5   6.896  -6.956   7.501
   30    HB3  TYR   5           1HB      TYR   5   6.541  -8.001   6.126
   31    HD1  TYR   5           2HD      TYR   5   8.339  -9.822   5.600
   32    HD2  TYR   5           1HD      TYR   5   7.971  -7.854   9.353
   33    HE1  TYR   5           2HE      TYR   5   9.564 -11.659   6.677
   34    HE2  TYR   5           1HE      TYR   5   9.201  -9.686  10.441
   35    HH   TYR   5           HH       TYR   5  10.991 -11.943   8.757
   36    H    ARG   6           H        ARG   6   8.404  -4.314   6.520
   37    HA   ARG   6           HA       ARG   6   5.920  -3.362   5.580
   38    HB2  ARG   6           2HB      ARG   6   6.733  -1.168   6.265
   39    HB3  ARG   6           1HB      ARG   6   7.037  -2.393   7.491
   40    HG2  ARG   6           2HG      ARG   6   9.358  -2.590   6.582
   41    HG3  ARG   6           1HG      ARG   6   8.990  -1.190   5.576
   42    HD2  ARG   6           2HD      ARG   6  10.164  -0.545   7.635
   43    HD3  ARG   6           1HD      ARG   6   8.539   0.143   7.565
   44    HE   ARG   6           HE       ARG   6   8.424  -2.310   8.918
   45   HH11  ARG   6          1HH1      ARG   6   9.711   0.916   9.368
   46   HH12  ARG   6          2HH1      ARG   6   9.581   0.856  11.101
   47   HH21  ARG   6          1HH2      ARG   6   8.236  -2.385  11.183
   48   HH22  ARG   6          2HH2      ARG   6   8.723  -1.016  12.136
   49    H    CYS   7           H        CYS   7   8.645  -4.035   3.764
   50    HA   CYS   7           HA       CYS   7   7.836  -2.042   1.750
   51    HB2  CYS   7           2HB      CYS   7  10.182  -1.846   2.605
   52    HB3  CYS   7           1HB      CYS   7  10.507  -3.441   1.940
   53    H    GLN   8           H        GLN   8   7.376  -5.128   2.562
   54    HA   GLN   8           HA       GLN   8   7.033  -5.894  -0.251
   55    HB2  GLN   8           2HB      GLN   8   7.062  -8.316   0.739
   56    HB3  GLN   8           1HB      GLN   8   8.574  -7.490   0.400
   57    HG2  GLN   8           2HG      GLN   8   8.736  -6.865   2.774
   58    HG3  GLN   8           1HG      GLN   8   7.248  -7.755   3.088
   59   HE21  GLN   8          1HE2      GLN   8   9.992  -8.122   4.103
   60   HE22  GLN   8          2HE2      GLN   8  10.395  -9.762   3.738
   61    H    LEU   9           H        LEU   9   5.838  -7.150   2.841
   62    HA   LEU   9           HA       LEU   9   3.736  -7.405   3.690
   63    HB2  LEU   9           2HB      LEU   9   3.388  -4.848   2.131
   64    HB3  LEU   9           1HB      LEU   9   2.195  -5.467   3.255
   65    HG   LEU   9           HG       LEU   9   5.021  -4.777   4.044
   66   HD11  LEU   9          1HD1      LEU   9   2.514  -3.123   4.290
   67   HD12  LEU   9          2HD1      LEU   9   3.883  -2.784   3.230
   68   HD13  LEU   9          3HD1      LEU   9   4.087  -2.727   4.981
   69   HD21  LEU   9          3HD2      LEU   9   3.920  -6.360   5.521
   70   HD22  LEU   9          1HD2      LEU   9   2.516  -5.299   5.643
   71   HD23  LEU   9          2HD2      LEU   9   4.068  -4.789   6.307
   72    H    SER  10           H        SER  10   1.234  -6.772   2.760
   73    HA   SER  10           HA       SER  10   0.958  -8.078   0.153
   74    HB2  SER  10           2HB      SER  10  -1.090  -9.184   1.031
   75    HB3  SER  10           1HB      SER  10   0.390  -9.758   1.791
   76    HG   SER  10           HG       SER  10  -1.593  -8.033   2.849
   77    H    ARG  11           H        ARG  11  -0.193  -6.866  -1.220
   78    HA   ARG  11           HA       ARG  11  -1.632  -4.545  -0.265
   79    HB2  ARG  11           2HB      ARG  11  -2.125  -4.123  -2.637
   80    HB3  ARG  11           1HB      ARG  11  -0.403  -4.347  -2.367
   81    HG2  ARG  11           2HG      ARG  11  -1.501  -6.846  -2.903
   82    HG3  ARG  11           1HG      ARG  11  -2.148  -5.744  -4.105
   83    HD2  ARG  11           2HD      ARG  11  -0.104  -5.319  -5.025
   84    HD3  ARG  11           1HD      ARG  11   0.751  -5.569  -3.505
   85    HE   ARG  11           HE       ARG  11   0.340  -8.001  -3.856
   86   HH11  ARG  11          1HH1      ARG  11   0.362  -5.856  -6.659
   87   HH12  ARG  11          2HH1      ARG  11   0.936  -7.105  -7.726
   88   HH21  ARG  11          1HH2      ARG  11   1.061  -9.599  -5.278
   89   HH22  ARG  11          2HH2      ARG  11   1.337  -9.212  -6.956
   90    H    ASN  12           H        ASN  12  -3.824  -4.416  -1.866
   91    HA   ASN  12           HA       ASN  12  -5.366  -6.832  -1.479
   92    HB2  ASN  12           2HB      ASN  12  -5.671  -5.757   0.649
   93    HB3  ASN  12           1HB      ASN  12  -6.088  -4.242  -0.108
   94   HD21  ASN  12          1HD2      ASN  12  -7.120  -7.533   0.429
   95   HD22  ASN  12          2HD2      ASN  12  -8.816  -7.232   0.245
   96    H    TYR  13           H        TYR  13  -7.635  -6.430  -2.258
   97    HA   TYR  13           HA       TYR  13  -7.412  -5.024  -4.843
   98    HB2  TYR  13           2HB      TYR  13  -7.284  -7.742  -4.407
   99    HB3  TYR  13           1HB      TYR  13  -8.924  -7.484  -4.973
  100    HD1  TYR  13           2HD      TYR  13  -5.373  -6.825  -5.835
  101    HD2  TYR  13           1HD      TYR  13  -9.367  -7.173  -7.252
  102    HE1  TYR  13           2HE      TYR  13  -4.557  -6.706  -8.148
  103    HE2  TYR  13           1HE      TYR  13  -8.559  -7.053  -9.573
  104    HH   TYR  13           HH       TYR  13  -5.340  -7.451 -10.417
  105    H    GLY  14           H        GLY  14  -9.207  -5.686  -2.123
  106    HA2  GLY  14           2HA      GLY  14 -11.836  -5.752  -2.872
  107    HA3  GLY  14           1HA      GLY  14 -11.268  -4.977  -1.403
  108    H    LYS  15           H        LYS  15 -13.359  -4.406  -3.529
  109    HA   LYS  15           HA       LYS  15 -12.617  -2.141  -5.023
  110    HB2  LYS  15           2HB      LYS  15 -15.407  -2.625  -4.146
  111    HB3  LYS  15           1HB      LYS  15 -14.839  -1.986  -5.673
  112    HG2  LYS  15           2HG      LYS  15 -14.410  -4.816  -4.789
  113    HG3  LYS  15           1HG      LYS  15 -15.782  -4.294  -5.768
  114    HD2  LYS  15           2HD      LYS  15 -12.895  -3.894  -6.546
  115    HD3  LYS  15           1HD      LYS  15 -13.888  -5.253  -7.082
  116    HE2  LYS  15           2HE      LYS  15 -14.468  -2.334  -7.579
  117    HE3  LYS  15           1HE      LYS  15 -13.817  -3.472  -8.757
  118    HZ1  LYS  15           3HZ      LYS  15 -16.480  -3.654  -7.450
  119    HZ2  LYS  15           1HZ      LYS  15 -15.857  -4.771  -8.564
  120    HZ3  LYS  15           2HZ      LYS  15 -16.191  -3.179  -9.049
  121    H    GLY  16           H        GLY  16 -14.825  -2.354  -2.316
  122    HA2  GLY  16           2HA      GLY  16 -13.937  -0.605  -0.523
  123    HA3  GLY  16           1HA      GLY  16 -14.453   0.496  -1.790
  124    H    SER  17           H        SER  17 -15.438   0.190   0.925
  125    HA   SER  17           HA       SER  17 -18.260  -0.246   0.269
  126    HB2  SER  17           2HB      SER  17 -18.443  -0.910   2.754
  127    HB3  SER  17           1HB      SER  17 -17.767  -2.089   1.632
  128    HG   SER  17           HG       SER  17 -16.560  -0.710   3.706
  129    H    GLY  18           H        GLY  18 -16.003   1.281   2.488
  130    HA2  GLY  18           2HA      GLY  18 -17.817   3.587   2.708
  131    HA3  GLY  18           1HA      GLY  18 -16.451   3.259   3.771
  132    H    SER  19           H        SER  19 -14.751   2.529   1.545
  133    HA   SER  19           HA       SER  19 -13.163   3.360   0.212
  134    HB2  SER  19           2HB      SER  19 -13.863   5.026  -1.525
  135    HB3  SER  19           1HB      SER  19 -14.776   3.522  -1.484
  136    HG   SER  19           HG       SER  19 -15.875   5.460   0.097
  137    H    PHE  20           H        PHE  20 -11.506   4.326   0.910
  138    HA   PHE  20           HA       PHE  20 -11.690   7.026   2.028
  139    HB2  PHE  20           2HB      PHE  20  -9.995   4.637   2.662
  140    HB3  PHE  20           1HB      PHE  20  -9.462   6.246   3.089
  141    HD1  PHE  20           2HD      PHE  20 -12.097   3.734   3.623
  142    HD2  PHE  20           1HD      PHE  20 -10.365   7.378   4.970
  143    HE1  PHE  20           2HE      PHE  20 -13.435   3.606   5.682
  144    HE2  PHE  20           1HE      PHE  20 -11.700   7.258   7.032
  145    HZ   PHE  20           HZ       PHE  20 -13.249   5.366   7.380
  146    H    THR  21           H        THR  21  -9.916   4.857   0.020
  147    HA   THR  21           HA       THR  21  -8.445   5.097  -1.704
  148    HB   THR  21           HB       THR  21  -8.621   8.070  -1.626
  149    HG1  THR  21           1HG      THR  21 -10.736   7.820  -1.847
  150   HG21  THR  21          3HG2      THR  21  -8.676   6.348  -4.062
  151   HG22  THR  21          1HG2      THR  21  -7.161   6.492  -3.162
  152   HG23  THR  21          2HG2      THR  21  -7.941   7.933  -3.825
  153    H    ASN  22           H        ASN  22  -6.836   4.365  -0.591
  154    HA   ASN  22           HA       ASN  22  -4.876   6.302   0.446
  155    HB2  ASN  22           2HB      ASN  22  -5.625   3.579   1.566
  156    HB3  ASN  22           1HB      ASN  22  -4.212   4.504   2.073
  157   HD21  ASN  22          1HD2      ASN  22  -5.475   7.068   1.932
  158   HD22  ASN  22          2HD2      ASN  22  -6.602   7.166   3.239
  159    H    TYR  23           H        TYR  23  -2.656   4.937   0.479
  160    HA   TYR  23           HA       TYR  23  -2.542   3.870  -2.254
  161    HB2  TYR  23           2HB      TYR  23  -0.350   5.069  -0.530
  162    HB3  TYR  23           1HB      TYR  23  -0.094   4.383  -2.126
  163    HD1  TYR  23           1HD      TYR  23  -2.257   6.922  -0.450
  164    HD2  TYR  23           2HD      TYR  23  -0.067   5.826  -3.923
  165    HE1  TYR  23           1HE      TYR  23  -2.776   9.107  -1.460
  166    HE2  TYR  23           2HE      TYR  23  -0.575   8.006  -4.942
  167    HH   TYR  23           HH       TYR  23  -1.819  10.611  -3.182
  168    H    TYR  24           H        TYR  24  -0.904   2.189  -2.637
  169    HA   TYR  24           HA       TYR  24  -0.050   0.586  -0.374
  170    HB2  TYR  24           2HB      TYR  24  -1.127  -1.418  -1.000
  171    HB3  TYR  24           1HB      TYR  24  -2.389  -0.198  -1.091
  172    HD1  TYR  24           2HD      TYR  24  -3.113   0.642  -3.359
  173    HD2  TYR  24           1HD      TYR  24  -0.482  -2.674  -2.900
  174    HE1  TYR  24           2HE      TYR  24  -3.601  -0.078  -5.665
  175    HE2  TYR  24           1HE      TYR  24  -0.959  -3.400  -5.140
  176    HH   TYR  24           HH       TYR  24  -2.563  -3.167  -6.875
  177    H    TYR  25           H        TYR  25   1.831  -0.532  -0.867
  178    HA   TYR  25           HA       TYR  25   3.046   0.184  -3.384
  179    HB2  TYR  25           2HB      TYR  25   4.398   0.324  -1.352
  180    HB3  TYR  25           1HB      TYR  25   4.147  -1.386  -1.061
  181    HD1  TYR  25           1HD      TYR  25   5.270  -3.074  -2.480
  182    HD2  TYR  25           2HD      TYR  25   6.017   1.088  -2.950
  183    HE1  TYR  25           1HE      TYR  25   7.300  -3.588  -3.778
  184    HE2  TYR  25           2HE      TYR  25   8.037   0.586  -4.247
  185    HH   TYR  25           HH       TYR  25   8.722  -2.370  -5.571
  186    H    ASP  26           H        ASP  26   3.056  -0.985  -5.107
  187    HA   ASP  26           HA       ASP  26   2.139  -3.777  -4.943
  188    HB2  ASP  26           2HB      ASP  26   0.602  -2.180  -6.060
  189    HB3  ASP  26           1HB      ASP  26   1.875  -1.805  -7.215
  190    H    LYS  27           H        LYS  27   3.732  -5.192  -5.304
  191    HA   LYS  27           HA       LYS  27   6.186  -4.366  -6.487
  192    HB2  LYS  27           2HB      LYS  27   6.081  -7.201  -6.239
  193    HB3  LYS  27           1HB      LYS  27   7.010  -6.040  -5.301
  194    HG2  LYS  27           2HG      LYS  27   4.634  -5.685  -4.175
  195    HG3  LYS  27           1HG      LYS  27   4.455  -7.366  -4.678
  196    HD2  LYS  27           2HD      LYS  27   5.325  -7.406  -2.470
  197    HD3  LYS  27           1HD      LYS  27   6.667  -7.814  -3.543
  198    HE2  LYS  27           2HE      LYS  27   6.257  -4.958  -2.878
  199    HE3  LYS  27           1HE      LYS  27   6.873  -6.002  -1.592
  200    HZ1  LYS  27           3HZ      LYS  27   8.727  -5.065  -2.731
  201    HZ2  LYS  27           1HZ      LYS  27   8.111  -5.498  -4.253
  202    HZ3  LYS  27           2HZ      LYS  27   8.645  -6.698  -3.179
  203    H    ALA  28           H        ALA  28   3.417  -5.013  -8.040
  204    HA   ALA  28           HA       ALA  28   4.685  -6.513 -10.220
  205    HB1  ALA  28           1HB      ALA  28   1.835  -5.565  -9.903
  206    HB2  ALA  28           2HB      ALA  28   2.429  -7.203  -9.627
  207    HB3  ALA  28           3HB      ALA  28   2.451  -6.518 -11.252
  208    H    THR  29           H        THR  29   4.082  -3.389  -9.155
  209    HA   THR  29           HA       THR  29   4.858  -2.319 -11.787
  210    HB   THR  29           HB       THR  29   2.559  -1.644 -11.163
  211    HG1  THR  29           1HG      THR  29   3.967  -0.213 -12.367
  212   HG21  THR  29          3HG2      THR  29   3.862  -0.218  -8.840
  213   HG22  THR  29          1HG2      THR  29   2.877  -1.679  -8.712
  214   HG23  THR  29          2HG2      THR  29   2.155  -0.171  -9.279
  215    H    SER  30           H        SER  30   5.831  -2.981  -8.748
  216    HA   SER  30           HA       SER  30   7.570  -2.452  -7.422
  217    HB2  SER  30           2HB      SER  30   8.611  -1.285 -10.001
  218    HB3  SER  30           1HB      SER  30   9.594  -1.588  -8.567
  219    HG   SER  30           HG       SER  30   9.267  -3.765  -8.803
  220    H    SER  31           H        SER  31   5.413  -0.650  -7.307
  221    HA   SER  31           HA       SER  31   6.665   1.510  -5.967
  222    HB2  SER  31           2HB      SER  31   5.549   3.299  -7.439
  223    HB3  SER  31           1HB      SER  31   7.024   2.547  -8.047
  224    HG   SER  31           HG       SER  31   5.739   1.216  -9.364
  225    H    CYS  32           H        CYS  32   4.639   3.353  -5.874
  226    HA   CYS  32           HA       CYS  32   2.700   1.770  -4.336
  227    HB2  CYS  32           2HB      CYS  32   3.383   4.717  -4.163
  228    HB3  CYS  32           1HB      CYS  32   2.324   3.831  -3.062
  229    H    LYS  33           H        LYS  33   0.637   1.668  -4.964
  230    HA   LYS  33           HA       LYS  33  -0.399   3.721  -6.820
  231    HB2  LYS  33           2HB      LYS  33  -0.169   1.376  -7.756
  232    HB3  LYS  33           1HB      LYS  33  -1.387   0.870  -6.609
  233    HG2  LYS  33           2HG      LYS  33  -2.333   1.228  -8.817
  234    HG3  LYS  33           1HG      LYS  33  -2.997   2.370  -7.648
  235    HD2  LYS  33           2HD      LYS  33  -0.615   3.227  -9.202
  236    HD3  LYS  33           1HD      LYS  33  -2.150   3.104 -10.053
  237    HE2  LYS  33           2HE      LYS  33  -1.975   4.589  -7.463
  238    HE3  LYS  33           1HE      LYS  33  -1.491   5.363  -8.977
  239    HZ1  LYS  33           3HZ      LYS  33  -4.167   4.255  -8.299
  240    HZ2  LYS  33           1HZ      LYS  33  -3.730   4.775  -9.854
  241    HZ3  LYS  33           2HZ      LYS  33  -3.765   5.881  -8.570
  242    H    THR  34           H        THR  34  -3.082   3.170  -6.615
  243    HA   THR  34           HA       THR  34  -3.538   3.563  -3.731
  244    HB   THR  34           HB       THR  34  -5.577   4.930  -4.488
  245    HG1  THR  34           1HG      THR  34  -5.557   5.690  -6.510
  246   HG21  THR  34          3HG2      THR  34  -2.802   6.059  -4.721
  247   HG22  THR  34          1HG2      THR  34  -3.696   5.787  -3.223
  248   HG23  THR  34          2HG2      THR  34  -4.281   6.970  -4.399
  249    H    PHE  35           H        PHE  35  -5.855   3.394  -3.119
  250    HA   PHE  35           HA       PHE  35  -7.664   1.761  -4.538
  251    HB2  PHE  35           2HB      PHE  35  -7.459  -0.334  -3.479
  252    HB3  PHE  35           1HB      PHE  35  -5.803   0.091  -3.869
  253    HD1  PHE  35           1HD      PHE  35  -5.139   1.931  -1.597
  254    HD2  PHE  35           2HD      PHE  35  -7.295  -1.748  -1.703
  255    HE1  PHE  35           1HE      PHE  35  -4.536   1.492   0.752
  256    HE2  PHE  35           2HE      PHE  35  -6.687  -2.178   0.636
  257    HZ   PHE  35           HZ       PHE  35  -5.306  -0.557   1.868
  258    H    ARG  36           H        ARG  36  -9.561   1.454  -3.320
  259    HA   ARG  36           HA       ARG  36 -10.194   3.763  -1.875
  260    HB2  ARG  36           2HB      ARG  36 -11.545   1.142  -2.305
  261    HB3  ARG  36           1HB      ARG  36 -12.334   2.479  -1.478
  262    HG2  ARG  36           2HG      ARG  36 -11.355   2.464  -4.329
  263    HG3  ARG  36           1HG      ARG  36 -13.036   2.386  -3.799
  264    HD2  ARG  36           2HD      ARG  36 -12.691   4.613  -2.694
  265    HD3  ARG  36           1HD      ARG  36 -11.119   4.691  -3.493
  266    HE   ARG  36           HE       ARG  36 -13.393   4.206  -5.231
  267   HH11  ARG  36          1HH1      ARG  36 -11.241   6.625  -3.854
  268   HH12  ARG  36          2HH1      ARG  36 -11.580   7.801  -5.093
  269   HH21  ARG  36          1HH2      ARG  36 -13.835   5.753  -6.837
  270   HH22  ARG  36          2HH2      ARG  36 -13.054   7.309  -6.782
  271    H    TYR  37           H        TYR  37  -8.847   0.816  -0.910
  272    HA   TYR  37           HA       TYR  37  -8.179  -0.033   1.053
  273    HB2  TYR  37           2HB      TYR  37  -7.475   2.108   1.822
  274    HB3  TYR  37           1HB      TYR  37  -9.134   2.628   2.099
  275    HD1  TYR  37           1HD      TYR  37  -6.710   0.029   3.253
  276    HD2  TYR  37           2HD      TYR  37  -9.924   2.624   4.280
  277    HE1  TYR  37           1HE      TYR  37  -6.501  -0.654   5.605
  278    HE2  TYR  37           2HE      TYR  37  -9.722   1.947   6.635
  279    HH   TYR  37           HH       TYR  37  -7.054   0.226   7.837
  280    H    ARG  38           H        ARG  38 -11.288   0.700   0.300
  281    HA   ARG  38           HA       ARG  38 -13.290  -0.253   0.649
  282    HB2  ARG  38           2HB      ARG  38 -11.657  -2.068   2.386
  283    HB3  ARG  38           1HB      ARG  38 -13.405  -2.219   2.295
  284    HG2  ARG  38           2HG      ARG  38 -13.161  -2.509  -0.178
  285    HG3  ARG  38           1HG      ARG  38 -11.413  -2.557   0.065
  286    HD2  ARG  38           2HD      ARG  38 -12.373  -4.810  -0.065
  287    HD3  ARG  38           1HD      ARG  38 -11.647  -4.498   1.511
  288    HE   ARG  38           HE       ARG  38 -14.061  -3.956   2.191
  289   HH11  ARG  38          1HH1      ARG  38 -13.179  -6.389  -0.178
  290   HH12  ARG  38          2HH1      ARG  38 -14.591  -7.358   0.112
  291   HH21  ARG  38          1HH2      ARG  38 -15.894  -5.209   2.565
  292   HH22  ARG  38          2HH2      ARG  38 -16.159  -6.674   1.668
  293    H    GLY  39           H        GLY  39 -11.525  -0.047   3.705
  294    HA2  GLY  39           2HA      GLY  39 -12.186   1.766   5.255
  295    HA3  GLY  39           1HA      GLY  39 -13.853   1.387   4.834
  296    H    SER  40           H        SER  40 -14.424  -0.975   5.201
  297    HA   SER  40           HA       SER  40 -13.434  -1.756   7.848
  298    HB2  SER  40           2HB      SER  40 -15.932  -1.378   7.384
  299    HB3  SER  40           1HB      SER  40 -15.869  -2.870   6.449
  300    HG   SER  40           HG       SER  40 -15.729  -4.005   8.229
  301    H    GLY  41           H        GLY  41 -11.552  -2.311   6.248
  302    HA2  GLY  41           2HA      GLY  41 -11.204  -5.081   6.173
  303    HA3  GLY  41           1HA      GLY  41 -11.712  -4.566   4.569
  304    H    GLY  42           H        GLY  42  -9.739  -5.036   3.579
  305    HA2  GLY  42           2HA      GLY  42  -7.791  -4.073   2.657
  306    HA3  GLY  42           1HA      GLY  42  -7.675  -3.025   4.063
  307    H    ASN  43           H        ASN  43  -6.794  -6.058   2.677
  308    HA   ASN  43           HA       ASN  43  -5.713  -7.065   5.193
  309    HB2  ASN  43           2HB      ASN  43  -5.871  -8.335   2.453
  310    HB3  ASN  43           1HB      ASN  43  -5.217  -9.123   3.884
  311   HD21  ASN  43          1HD2      ASN  43  -6.601  -9.749   5.529
  312   HD22  ASN  43          2HD2      ASN  43  -8.311  -9.879   5.296
  313    H    GLY  44           H        GLY  44  -4.266  -5.070   5.009
  314    HA2  GLY  44           2HA      GLY  44  -1.634  -5.936   4.552
  315    HA3  GLY  44           1HA      GLY  44  -2.138  -4.940   3.190
  316    H    ASN  45           H        ASN  45  -0.419  -3.485   3.910
  317    HA   ASN  45           HA       ASN  45  -1.096  -1.992   6.335
  318    HB2  ASN  45           2HB      ASN  45   1.256  -2.817   6.029
  319    HB3  ASN  45           1HB      ASN  45   1.397  -1.729   4.651
  320   HD21  ASN  45          1HD2      ASN  45   3.065  -0.590   5.669
  321   HD22  ASN  45          2HD2      ASN  45   2.767   0.490   6.988
  322    H    ARG  46           H        ARG  46  -2.392  -0.376   6.055
  323    HA   ARG  46           HA       ARG  46  -2.934   0.851   3.560
  324    HB2  ARG  46           2HB      ARG  46  -4.717   0.834   5.048
  325    HB3  ARG  46           1HB      ARG  46  -3.720   1.330   6.409
  326    HG2  ARG  46           2HG      ARG  46  -3.528   3.577   5.265
  327    HG3  ARG  46           1HG      ARG  46  -4.802   3.017   4.176
  328    HD2  ARG  46           2HD      ARG  46  -6.243   2.568   6.122
  329    HD3  ARG  46           1HD      ARG  46  -4.981   3.178   7.186
  330    HE   ARG  46           HE       ARG  46  -6.230   4.890   5.139
  331   HH11  ARG  46          1HH1      ARG  46  -5.248   4.282   8.454
  332   HH12  ARG  46          2HH1      ARG  46  -5.836   5.809   9.037
  333   HH21  ARG  46          1HH2      ARG  46  -6.997   6.906   5.919
  334   HH22  ARG  46          2HH2      ARG  46  -6.816   7.307   7.599
  335    H    PHE  47           H        PHE  47  -1.964   2.475   2.577
  336    HA   PHE  47           HA       PHE  47  -0.018   4.088   4.098
  337    HB2  PHE  47           2HB      PHE  47  -0.114   3.358   1.165
  338    HB3  PHE  47           1HB      PHE  47   0.958   4.596   1.818
  339    HD1  PHE  47           1HD      PHE  47   2.357   3.779   3.916
  340    HD2  PHE  47           2HD      PHE  47   0.732   1.242   0.911
  341    HE1  PHE  47           1HE      PHE  47   4.008   2.057   4.483
  342    HE2  PHE  47           2HE      PHE  47   2.387  -0.488   1.473
  343    HZ   PHE  47           HZ       PHE  47   4.032  -0.083   3.262
  344    H    LYS  48           H        LYS  48  -0.182   6.275   4.053
  345    HA   LYS  48           HA       LYS  48  -2.773   7.335   3.473
  346    HB2  LYS  48           2HB      LYS  48  -0.542   9.228   3.914
  347    HB3  LYS  48           1HB      LYS  48  -2.103   9.148   4.691
  348    HG2  LYS  48           2HG      LYS  48   0.363   7.571   5.351
  349    HG3  LYS  48           1HG      LYS  48  -0.440   8.784   6.344
  350    HD2  LYS  48           2HD      LYS  48  -2.446   7.226   6.339
  351    HD3  LYS  48           1HD      LYS  48  -1.368   6.006   5.671
  352    HE2  LYS  48           2HE      LYS  48  -1.081   7.424   8.316
  353    HE3  LYS  48           1HE      LYS  48  -1.460   5.721   8.057
  354    HZ1  LYS  48           3HZ      LYS  48   0.847   5.942   8.624
  355    HZ2  LYS  48           1HZ      LYS  48   1.097   7.089   7.406
  356    HZ3  LYS  48           2HZ      LYS  48   0.748   5.482   6.999
  357    H    THR  49           H        THR  49   0.450   8.075   2.317
  358    HA   THR  49           HA       THR  49  -0.677   8.837  -0.283
  359    HB   THR  49           HB       THR  49   1.122  10.602  -0.393
  360    HG1  THR  49           1HG      THR  49   1.592  11.325   1.934
  361   HG21  THR  49          3HG2      THR  49  -0.176  12.250   0.887
  362   HG22  THR  49          1HG2      THR  49  -1.042  10.936   1.683
  363   HG23  THR  49          2HG2      THR  49  -1.218  11.184  -0.054
  364    H    LEU  50           H        LEU  50   1.133   8.918  -2.001
  365    HA   LEU  50           HA       LEU  50   2.535   6.425  -1.784
  366    HB2  LEU  50           2HB      LEU  50   2.160   6.431  -3.969
  367    HB3  LEU  50           1HB      LEU  50   1.608   8.082  -3.897
  368    HG   LEU  50           HG       LEU  50   3.244   7.764  -5.644
  369   HD11  LEU  50          1HD1      LEU  50   3.142   9.936  -4.554
  370   HD12  LEU  50          2HD1      LEU  50   4.757   9.570  -5.166
  371   HD13  LEU  50          3HD1      LEU  50   4.415   9.433  -3.441
  372   HD21  LEU  50          3HD2      LEU  50   4.533   5.936  -4.879
  373   HD22  LEU  50          1HD2      LEU  50   5.098   6.831  -3.464
  374   HD23  LEU  50          2HD2      LEU  50   5.624   7.306  -5.081
  375    H    GLU  51           H        GLU  51   3.252   9.771  -1.461
  376    HA   GLU  51           HA       GLU  51   6.067   9.594  -1.538
  377    HB2  GLU  51           2HB      GLU  51   5.964  11.722  -0.163
  378    HB3  GLU  51           1HB      GLU  51   5.133  11.756  -1.712
  379    HG2  GLU  51           2HG      GLU  51   3.007  11.376  -0.592
  380    HG3  GLU  51           1HG      GLU  51   3.832  11.321   0.964
  381    H    ASP  52           H        ASP  52   3.735   9.058   0.978
  382    HA   ASP  52           HA       ASP  52   5.585   8.597   3.113
  383    HB2  ASP  52           2HB      ASP  52   3.291   9.153   3.614
  384    HB3  ASP  52           1HB      ASP  52   2.693   7.825   2.647
  385    H    CYS  53           H        CYS  53   3.587   6.508   1.138
  386    HA   CYS  53           HA       CYS  53   4.548   4.021   1.833
  387    HB2  CYS  53           2HB      CYS  53   2.598   4.229   0.476
  388    HB3  CYS  53           1HB      CYS  53   3.481   5.086  -0.782
  389    H    GLU  54           H        GLU  54   5.802   6.201  -0.681
  390    HA   GLU  54           HA       GLU  54   7.817   4.361  -1.523
  391    HB2  GLU  54           2HB      GLU  54   8.563   6.058  -3.006
  392    HB3  GLU  54           1HB      GLU  54   6.813   6.202  -2.968
  393    HG2  GLU  54           2HG      GLU  54   6.969   8.108  -1.498
  394    HG3  GLU  54           1HG      GLU  54   8.715   7.917  -1.384
  395    H    ALA  55           H        ALA  55   7.610   6.909   0.819
  396    HA   ALA  55           HA       ALA  55  10.300   7.477   1.116
  397    HB1  ALA  55           1HB      ALA  55   8.024   7.491   3.087
  398    HB2  ALA  55           2HB      ALA  55   8.804   8.863   2.295
  399    HB3  ALA  55           3HB      ALA  55   9.661   7.963   3.547
  400    H    THR  56           H        THR  56   8.387   5.318   3.159
  401    HA   THR  56           HA       THR  56  10.576   4.132   4.409
  402    HB   THR  56           HB       THR  56   8.431   4.015   5.447
  403    HG1  THR  56           1HG      THR  56   8.408   1.875   6.036
  404   HG21  THR  56          3HG2      THR  56   7.510   2.328   3.118
  405   HG22  THR  56          1HG2      THR  56   7.021   3.990   3.451
  406   HG23  THR  56          2HG2      THR  56   6.568   2.699   4.563
  407    H    CYS  57           H        CYS  57   8.662   2.910   1.656
  408    HA   CYS  57           HA       CYS  57  10.226   0.471   1.665
  409    HB2  CYS  57           2HB      CYS  57   7.781   0.439   1.273
  410    HB3  CYS  57           1HB      CYS  57   8.020   1.351  -0.210
  411    H    VAL  58           H        VAL  58   9.548   3.024  -0.755
  412    HA   VAL  58           HA       VAL  58  11.205   1.914  -2.711
  413    HB   VAL  58           HB       VAL  58  10.109   4.699  -2.385
  414   HG11  VAL  58          1HG1      VAL  58  11.668   3.625  -4.736
  415   HG12  VAL  58          2HG1      VAL  58  12.225   4.869  -3.614
  416   HG13  VAL  58          3HG1      VAL  58  10.838   5.180  -4.664
  417   HG21  VAL  58          3HG2      VAL  58   8.492   2.963  -2.899
  418   HG22  VAL  58          1HG2      VAL  58   9.469   2.421  -4.262
  419   HG23  VAL  58          2HG2      VAL  58   8.711   4.011  -4.301
  420    H    THR  59           H        THR  59  12.038   4.185  -0.065
  421    HA   THR  59           HA       THR  59  14.605   4.661  -1.276
  422    HB   THR  59           HB       THR  59  15.266   5.806   0.721
  423    HG1  THR  59           1HG      THR  59  12.767   5.255   1.915
  424   HG21  THR  59          3HG2      THR  59  12.419   6.535   0.081
  425   HG22  THR  59          1HG2      THR  59  13.805   6.941  -0.929
  426   HG23  THR  59          2HG2      THR  59  13.678   7.606   0.701
  427    H    ALA  60           H        ALA  60  13.457   2.774   1.457
  428    HA   ALA  60           HA       ALA  60  16.067   1.795   2.091
  429    HB1  ALA  60           1HB      ALA  60  13.401   0.796   3.063
  430    HB2  ALA  60           2HB      ALA  60  14.326   2.113   3.783
  431    HB3  ALA  60           3HB      ALA  60  14.976   0.474   3.787
  432    H    GLU  61           H        GLU  61  14.138   0.998  -0.442
  433    HA   GLU  61           HA       GLU  61  13.879  -1.628  -0.837
  434    HB2  GLU  61           2HB      GLU  61  15.068   0.398  -2.706
  435    HB3  GLU  61           1HB      GLU  61  14.743  -1.257  -3.206
  436    HG2  GLU  61           2HG      GLU  61  12.577   0.337  -1.938
  437    HG3  GLU  61           1HG      GLU  61  13.012   0.631  -3.613
  Start of MODEL    6
    1    H2   PRO   1           1HT      PRO   1  17.350  -6.547   5.318
    2    H3   PRO   1           2HT      PRO   1  17.918  -5.781   6.646
    3    HA   PRO   1           HA       PRO   1  18.769  -4.093   5.570
    4    HB2  PRO   1           2HB      PRO   1  18.898  -5.067   2.845
    5    HB3  PRO   1           1HB      PRO   1  20.187  -4.399   3.856
    6    HG2  PRO   1           2HG      PRO   1  19.433  -7.205   3.407
    7    HG3  PRO   1           1HG      PRO   1  20.960  -6.531   4.002
    8    HD2  PRO   1           2HD      PRO   1  19.320  -7.885   5.634
    9    HD3  PRO   1           1HD      PRO   1  20.216  -6.466   6.214
   10    H    ALA   2           H        ALA   2  16.437  -3.834   6.153
   11    HA   ALA   2           HA       ALA   2  15.071  -2.603   3.998
   12    HB1  ALA   2           1HB      ALA   2  14.433  -4.904   3.448
   13    HB2  ALA   2           2HB      ALA   2  13.036  -3.968   3.981
   14    HB3  ALA   2           3HB      ALA   2  13.796  -5.120   5.078
   15    H    GLN   3           H        GLN   3  12.767  -1.902   4.849
   16    HA   GLN   3           HA       GLN   3  13.159  -0.758   7.451
   17    HB2  GLN   3           2HB      GLN   3  10.415  -0.578   6.633
   18    HB3  GLN   3           1HB      GLN   3  11.595   0.705   6.804
   19    HG2  GLN   3           2HG      GLN   3  10.722   0.786   4.602
   20    HG3  GLN   3           1HG      GLN   3  12.380   0.203   4.501
   21   HE21  GLN   3          1HE2      GLN   3  12.101  -0.782   2.564
   22   HE22  GLN   3          2HE2      GLN   3  11.163  -2.222   2.343
   23    H    ASP   4           H        ASP   4  10.332  -2.429   6.302
   24    HA   ASP   4           HA       ASP   4  10.365  -4.379   8.441
   25    HB2  ASP   4           2HB      ASP   4   9.330  -2.200   9.349
   26    HB3  ASP   4           1HB      ASP   4   8.009  -2.499   8.238
   27    H    TYR   5           H        TYR   5   7.437  -4.768   8.066
   28    HA   TYR   5           HA       TYR   5   7.546  -5.976   5.405
   29    HB2  TYR   5           2HB      TYR   5   5.607  -6.252   7.699
   30    HB3  TYR   5           1HB      TYR   5   5.271  -6.910   6.095
   31    HD1  TYR   5           1HD      TYR   5   7.688  -7.047   8.906
   32    HD2  TYR   5           2HD      TYR   5   6.149  -9.007   5.463
   33    HE1  TYR   5           1HE      TYR   5   8.961  -9.065   9.499
   34    HE2  TYR   5           2HE      TYR   5   7.414 -11.035   6.044
   35    HH   TYR   5           HH       TYR   5   8.853 -11.521   9.074
   36    H    ARG   6           H        ARG   6   6.625  -3.071   6.742
   37    HA   ARG   6           HA       ARG   6   4.126  -2.596   5.603
   38    HB2  ARG   6           2HB      ARG   6   4.570  -0.215   5.911
   39    HB3  ARG   6           1HB      ARG   6   5.004  -1.155   7.329
   40    HG2  ARG   6           2HG      ARG   6   7.346  -1.032   6.718
   41    HG3  ARG   6           1HG      ARG   6   6.916  -0.150   5.252
   42    HD2  ARG   6           2HD      ARG   6   6.307   0.801   8.051
   43    HD3  ARG   6           1HD      ARG   6   7.718   1.305   7.123
   44    HE   ARG   6           HE       ARG   6   5.859   2.033   5.439
   45   HH11  ARG   6          1HH1      ARG   6   5.708   2.268   8.929
   46   HH12  ARG   6          2HH1      ARG   6   4.787   3.736   8.915
   47   HH21  ARG   6          1HH2      ARG   6   4.631   3.989   5.431
   48   HH22  ARG   6          2HH2      ARG   6   4.168   4.708   6.936
   49    H    CYS   7           H        CYS   7   7.226  -2.641   4.082
   50    HA   CYS   7           HA       CYS   7   6.299  -1.216   1.730
   51    HB2  CYS   7           2HB      CYS   7   8.615  -0.912   2.369
   52    HB3  CYS   7           1HB      CYS   7   8.888  -2.651   2.315
   53    H    GLN   8           H        GLN   8   6.984  -4.514   2.714
   54    HA   GLN   8           HA       GLN   8   6.565  -5.505   0.016
   55    HB2  GLN   8           2HB      GLN   8   7.155  -7.724   1.065
   56    HB3  GLN   8           1HB      GLN   8   8.409  -6.494   1.129
   57    HG2  GLN   8           2HG      GLN   8   7.690  -5.992   3.460
   58    HG3  GLN   8           1HG      GLN   8   6.607  -7.382   3.362
   59   HE21  GLN   8          1HE2      GLN   8   9.904  -6.321   3.522
   60   HE22  GLN   8          2HE2      GLN   8  10.604  -7.863   3.883
   61    H    LEU   9           H        LEU   9   4.908  -5.514   3.117
   62    HA   LEU   9           HA       LEU   9   2.787  -7.227   2.439
   63    HB2  LEU   9           2HB      LEU   9   2.831  -4.771   4.179
   64    HB3  LEU   9           1HB      LEU   9   1.435  -5.818   4.024
   65    HG   LEU   9           HG       LEU   9   4.118  -6.666   5.100
   66   HD11  LEU   9          1HD1      LEU   9   1.526  -6.086   6.523
   67   HD12  LEU   9          2HD1      LEU   9   2.940  -5.033   6.511
   68   HD13  LEU   9          3HD1      LEU   9   3.033  -6.629   7.264
   69   HD21  LEU   9          3HD2      LEU   9   2.955  -8.689   5.771
   70   HD22  LEU   9          1HD2      LEU   9   2.838  -8.469   4.026
   71   HD23  LEU   9          2HD2      LEU   9   1.459  -8.089   5.057
   72    H    SER  10           H        SER  10   2.708  -3.762   2.624
   73    HA   SER  10           HA       SER  10   1.731  -2.103   1.449
   74    HB2  SER  10           2HB      SER  10   1.889  -2.214  -1.004
   75    HB3  SER  10           1HB      SER  10   3.393  -2.649  -0.204
   76    HG   SER  10           HG       SER  10   2.408  -4.922  -0.457
   77    H    ARG  11           H        ARG  11   0.518  -4.312  -0.910
   78    HA   ARG  11           HA       ARG  11  -2.207  -3.650  -0.205
   79    HB2  ARG  11           2HB      ARG  11  -2.799  -4.901  -2.245
   80    HB3  ARG  11           1HB      ARG  11  -1.612  -3.639  -2.556
   81    HG2  ARG  11           2HG      ARG  11   0.025  -5.637  -2.061
   82    HG3  ARG  11           1HG      ARG  11  -1.339  -6.565  -2.666
   83    HD2  ARG  11           2HD      ARG  11  -1.365  -5.066  -4.657
   84    HD3  ARG  11           1HD      ARG  11   0.118  -4.337  -4.049
   85    HE   ARG  11           HE       ARG  11   0.806  -6.922  -4.112
   86   HH11  ARG  11          1HH1      ARG  11  -0.767  -4.924  -6.528
   87   HH12  ARG  11          2HH1      ARG  11  -0.169  -5.848  -7.865
   88   HH21  ARG  11          1HH2      ARG  11   1.614  -8.130  -5.880
   89   HH22  ARG  11          2HH2      ARG  11   1.178  -7.680  -7.505
   90    H    ASN  12           H        ASN  12  -3.263  -6.221  -1.163
   91    HA   ASN  12           HA       ASN  12  -2.153  -8.267   0.510
   92    HB2  ASN  12           2HB      ASN  12  -3.473  -6.981   2.157
   93    HB3  ASN  12           1HB      ASN  12  -4.912  -7.220   1.180
   94   HD21  ASN  12          1HD2      ASN  12  -2.588  -8.737   3.269
   95   HD22  ASN  12          2HD2      ASN  12  -3.511 -10.168   3.589
   96    H    TYR  13           H        TYR  13  -5.548  -8.224  -0.103
   97    HA   TYR  13           HA       TYR  13  -5.788  -9.277  -2.641
   98    HB2  TYR  13           2HB      TYR  13  -4.338 -11.084  -1.507
   99    HB3  TYR  13           1HB      TYR  13  -5.786 -11.494  -0.605
  100    HD1  TYR  13           2HD      TYR  13  -4.400 -11.265  -4.035
  101    HD2  TYR  13           1HD      TYR  13  -7.472 -12.838  -1.550
  102    HE1  TYR  13           2HE      TYR  13  -5.160 -12.684  -5.889
  103    HE2  TYR  13           1HE      TYR  13  -8.242 -14.269  -3.398
  104    HH   TYR  13           HH       TYR  13  -8.137 -14.356  -5.830
  105    H    GLY  14           H        GLY  14  -6.698  -9.733   0.688
  106    HA2  GLY  14           2HA      GLY  14  -9.461 -10.135   0.356
  107    HA3  GLY  14           1HA      GLY  14  -8.690  -9.507   1.806
  108    H    LYS  15           H        LYS  15 -11.063  -8.462   1.370
  109    HA   LYS  15           HA       LYS  15 -11.153  -6.498  -0.688
  110    HB2  LYS  15           2HB      LYS  15 -13.117  -6.449   1.503
  111    HB3  LYS  15           1HB      LYS  15 -13.365  -6.240  -0.220
  112    HG2  LYS  15           2HG      LYS  15 -12.684  -8.848   1.087
  113    HG3  LYS  15           1HG      LYS  15 -14.326  -8.335   0.706
  114    HD2  LYS  15           2HD      LYS  15 -13.875  -8.367  -1.629
  115    HD3  LYS  15           1HD      LYS  15 -12.140  -8.538  -1.356
  116    HE2  LYS  15           2HE      LYS  15 -13.237 -10.654  -2.046
  117    HE3  LYS  15           1HE      LYS  15 -12.441 -10.757  -0.476
  118    HZ1  LYS  15           3HZ      LYS  15 -15.352 -10.314  -0.875
  119    HZ2  LYS  15           1HZ      LYS  15 -14.561 -10.518   0.609
  120    HZ3  LYS  15           2HZ      LYS  15 -14.639 -11.805  -0.492
  121    H    GLY  16           H        GLY  16 -12.136  -5.820   2.571
  122    HA2  GLY  16           2HA      GLY  16 -10.308  -4.230   3.663
  123    HA3  GLY  16           1HA      GLY  16 -10.906  -3.189   2.378
  124    H    SER  17           H        SER  17 -11.893  -1.657   3.641
  125    HA   SER  17           HA       SER  17 -14.019  -2.586   5.434
  126    HB2  SER  17           2HB      SER  17 -13.871  -0.224   6.356
  127    HB3  SER  17           1HB      SER  17 -12.463  -1.247   6.644
  128    HG   SER  17           HG       SER  17 -11.504   0.488   5.840
  129    H    GLY  18           H        GLY  18 -13.733   0.602   4.064
  130    HA2  GLY  18           2HA      GLY  18 -16.211   0.136   2.518
  131    HA3  GLY  18           1HA      GLY  18 -15.955   1.596   3.464
  132    H    SER  19           H        SER  19 -14.596   3.191   2.702
  133    HA   SER  19           HA       SER  19 -12.811   2.800   0.551
  134    HB2  SER  19           2HB      SER  19 -13.945   4.358  -1.041
  135    HB3  SER  19           1HB      SER  19 -14.707   2.778  -0.855
  136    HG   SER  19           HG       SER  19 -15.796   4.342   0.948
  137    H    PHE  20           H        PHE  20 -11.220   3.998   1.104
  138    HA   PHE  20           HA       PHE  20 -11.671   6.634   2.316
  139    HB2  PHE  20           2HB      PHE  20  -9.684   4.478   2.741
  140    HB3  PHE  20           1HB      PHE  20  -9.105   6.126   2.871
  141    HD1  PHE  20           1HD      PHE  20 -10.102   7.641   4.577
  142    HD2  PHE  20           2HD      PHE  20 -10.993   3.486   4.426
  143    HE1  PHE  20           1HE      PHE  20 -10.963   7.748   6.878
  144    HE2  PHE  20           2HE      PHE  20 -11.857   3.580   6.729
  145    HZ   PHE  20           HZ       PHE  20 -11.803   5.705   7.968
  146    H    THR  21           H        THR  21 -10.067   4.837  -0.101
  147    HA   THR  21           HA       THR  21  -8.794   5.304  -1.910
  148    HB   THR  21           HB       THR  21  -9.364   8.221  -1.657
  149    HG1  THR  21           1HG      THR  21 -11.401   7.904  -2.227
  150   HG21  THR  21          3HG2      THR  21  -9.436   6.810  -4.232
  151   HG22  THR  21          1HG2      THR  21  -7.880   6.742  -3.393
  152   HG23  THR  21          2HG2      THR  21  -8.614   8.306  -3.785
  153    H    ASN  22           H        ASN  22  -7.063   4.709  -0.708
  154    HA   ASN  22           HA       ASN  22  -5.200   6.898  -0.115
  155    HB2  ASN  22           2HB      ASN  22  -5.453   4.250   1.354
  156    HB3  ASN  22           1HB      ASN  22  -4.106   5.362   1.548
  157   HD21  ASN  22          1HD2      ASN  22  -5.950   7.693   1.331
  158   HD22  ASN  22          2HD2      ASN  22  -6.742   7.781   2.865
  159    H    TYR  23           H        TYR  23  -2.864   5.717  -0.139
  160    HA   TYR  23           HA       TYR  23  -2.833   4.418  -2.749
  161    HB2  TYR  23           2HB      TYR  23  -0.554   5.584  -1.124
  162    HB3  TYR  23           1HB      TYR  23  -0.401   4.888  -2.733
  163    HD1  TYR  23           1HD      TYR  23  -2.231   7.556  -0.908
  164    HD2  TYR  23           2HD      TYR  23  -0.517   6.286  -4.577
  165    HE1  TYR  23           1HE      TYR  23  -2.639   9.792  -1.861
  166    HE2  TYR  23           2HE      TYR  23  -0.924   8.507  -5.551
  167    HH   TYR  23           HH       TYR  23  -1.711  11.217  -3.694
  168    H    TYR  24           H        TYR  24  -1.417   2.579  -3.065
  169    HA   TYR  24           HA       TYR  24  -0.294   1.263  -0.728
  170    HB2  TYR  24           2HB      TYR  24  -1.316  -0.837  -1.087
  171    HB3  TYR  24           1HB      TYR  24  -2.636   0.319  -1.171
  172    HD1  TYR  24           2HD      TYR  24  -3.630   0.887  -3.396
  173    HD2  TYR  24           1HD      TYR  24  -0.744  -2.213  -2.960
  174    HE1  TYR  24           2HE      TYR  24  -4.307  -0.063  -5.564
  175    HE2  TYR  24           1HE      TYR  24  -1.409  -3.158  -5.081
  176    HH   TYR  24           HH       TYR  24  -3.322  -1.513  -7.334
  177    H    TYR  25           H        TYR  25   1.512   0.017  -1.281
  178    HA   TYR  25           HA       TYR  25   2.693   0.705  -3.779
  179    HB2  TYR  25           2HB      TYR  25   4.137   0.548  -1.869
  180    HB3  TYR  25           1HB      TYR  25   3.612  -1.093  -1.551
  181    HD1  TYR  25           2HD      TYR  25   5.658   1.034  -3.724
  182    HD2  TYR  25           1HD      TYR  25   4.543  -2.957  -2.768
  183    HE1  TYR  25           2HE      TYR  25   7.524   0.194  -5.084
  184    HE2  TYR  25           1HE      TYR  25   6.405  -3.810  -4.129
  185    HH   TYR  25           HH       TYR  25   7.797  -2.949  -6.114
  186    H    ASP  26           H        ASP  26   2.464  -0.274  -5.606
  187    HA   ASP  26           HA       ASP  26   1.382  -3.000  -5.656
  188    HB2  ASP  26           2HB      ASP  26  -0.004  -1.401  -6.822
  189    HB3  ASP  26           1HB      ASP  26   1.382  -0.787  -7.712
  190    H    LYS  27           H        LYS  27   2.956  -4.461  -5.797
  191    HA   LYS  27           HA       LYS  27   5.476  -3.870  -6.950
  192    HB2  LYS  27           2HB      LYS  27   5.428  -6.602  -6.613
  193    HB3  LYS  27           1HB      LYS  27   5.988  -5.417  -5.436
  194    HG2  LYS  27           2HG      LYS  27   3.585  -5.252  -4.707
  195    HG3  LYS  27           1HG      LYS  27   3.303  -6.728  -5.629
  196    HD2  LYS  27           2HD      LYS  27   3.694  -7.369  -3.358
  197    HD3  LYS  27           1HD      LYS  27   5.132  -7.804  -4.282
  198    HE2  LYS  27           2HE      LYS  27   5.023  -5.140  -2.958
  199    HE3  LYS  27           1HE      LYS  27   5.314  -6.569  -1.961
  200    HZ1  LYS  27           3HZ      LYS  27   7.197  -7.111  -3.455
  201    HZ2  LYS  27           1HZ      LYS  27   7.404  -5.640  -2.629
  202    HZ3  LYS  27           2HZ      LYS  27   6.955  -5.642  -4.262
  203    H    ALA  28           H        ALA  28   2.870  -4.099  -8.660
  204    HA   ALA  28           HA       ALA  28   4.002  -5.869 -10.715
  205    HB1  ALA  28           1HB      ALA  28   1.303  -4.518 -10.580
  206    HB2  ALA  28           2HB      ALA  28   1.635  -6.218 -10.243
  207    HB3  ALA  28           3HB      ALA  28   1.850  -5.584 -11.875
  208    H    THR  29           H        THR  29   3.595  -2.631  -9.762
  209    HA   THR  29           HA       THR  29   4.724  -1.718 -12.330
  210    HB   THR  29           HB       THR  29   2.482  -0.765 -11.889
  211    HG1  THR  29           1HG      THR  29   3.251   0.924 -12.878
  212   HG21  THR  29          3HG2      THR  29   3.768   0.521  -9.476
  213   HG22  THR  29          1HG2      THR  29   2.586  -0.788  -9.424
  214   HG23  THR  29          2HG2      THR  29   2.126   0.794 -10.057
  215    H    SER  30           H        SER  30   5.253  -2.292  -9.106
  216    HA   SER  30           HA       SER  30   7.019  -2.013  -7.726
  217    HB2  SER  30           2HB      SER  30   8.339  -2.432  -9.827
  218    HB3  SER  30           1HB      SER  30   8.432  -0.687 -10.055
  219    HG   SER  30           HG       SER  30   9.401  -0.659  -7.889
  220    H    SER  31           H        SER  31   4.919   0.001  -7.987
  221    HA   SER  31           HA       SER  31   6.252   2.112  -6.512
  222    HB2  SER  31           2HB      SER  31   4.544   2.863  -8.894
  223    HB3  SER  31           1HB      SER  31   5.477   3.937  -7.848
  224    HG   SER  31           HG       SER  31   7.222   2.247  -8.753
  225    H    CYS  32           H        CYS  32   4.324   3.862  -6.062
  226    HA   CYS  32           HA       CYS  32   2.318   2.188  -4.725
  227    HB2  CYS  32           2HB      CYS  32   3.164   5.038  -4.160
  228    HB3  CYS  32           1HB      CYS  32   2.092   4.053  -3.168
  229    H    LYS  33           H        LYS  33   0.253   2.261  -5.340
  230    HA   LYS  33           HA       LYS  33  -0.763   4.620  -6.787
  231    HB2  LYS  33           2HB      LYS  33  -0.396   2.950  -8.456
  232    HB3  LYS  33           1HB      LYS  33  -1.173   1.709  -7.502
  233    HG2  LYS  33           2HG      LYS  33  -2.744   2.199  -9.118
  234    HG3  LYS  33           1HG      LYS  33  -3.278   3.191  -7.763
  235    HD2  LYS  33           2HD      LYS  33  -1.530   4.237  -9.979
  236    HD3  LYS  33           1HD      LYS  33  -3.284   4.311 -10.032
  237    HE2  LYS  33           2HE      LYS  33  -3.168   5.558  -7.858
  238    HE3  LYS  33           1HE      LYS  33  -1.425   5.646  -8.082
  239    HZ1  LYS  33           3HZ      LYS  33  -3.442   6.708  -9.990
  240    HZ2  LYS  33           1HZ      LYS  33  -1.759   6.840 -10.135
  241    HZ3  LYS  33           2HZ      LYS  33  -2.563   7.645  -8.878
  242    H    THR  34           H        THR  34  -3.245   4.561  -6.775
  243    HA   THR  34           HA       THR  34  -3.876   4.342  -3.946
  244    HB   THR  34           HB       THR  34  -5.999   5.592  -4.757
  245    HG1  THR  34           1HG      THR  34  -5.764   6.635  -6.699
  246   HG21  THR  34          3HG2      THR  34  -3.304   6.929  -4.717
  247   HG22  THR  34          1HG2      THR  34  -4.271   6.503  -3.302
  248   HG23  THR  34          2HG2      THR  34  -4.864   7.710  -4.447
  249    H    PHE  35           H        PHE  35  -6.125   3.901  -3.332
  250    HA   PHE  35           HA       PHE  35  -7.874   2.316  -4.888
  251    HB2  PHE  35           2HB      PHE  35  -7.587   0.151  -3.934
  252    HB3  PHE  35           1HB      PHE  35  -6.005   0.654  -4.499
  253    HD1  PHE  35           1HD      PHE  35  -5.568   2.527  -1.959
  254    HD2  PHE  35           2HD      PHE  35  -6.693  -1.545  -2.534
  255    HE1  PHE  35           1HE      PHE  35  -4.644   1.953   0.247
  256    HE2  PHE  35           2HE      PHE  35  -5.763  -2.117  -0.331
  257    HZ   PHE  35           HZ       PHE  35  -4.738  -0.364   1.062
  258    H    ARG  36           H        ARG  36  -9.640   1.497  -3.556
  259    HA   ARG  36           HA       ARG  36 -10.529   3.531  -1.774
  260    HB2  ARG  36           2HB      ARG  36 -11.528   0.850  -2.641
  261    HB3  ARG  36           1HB      ARG  36 -12.451   1.881  -1.557
  262    HG2  ARG  36           2HG      ARG  36 -11.642   2.524  -4.386
  263    HG3  ARG  36           1HG      ARG  36 -13.268   2.125  -3.822
  264    HD2  ARG  36           2HD      ARG  36 -13.156   4.130  -2.335
  265    HD3  ARG  36           1HD      ARG  36 -11.626   4.550  -3.104
  266    HE   ARG  36           HE       ARG  36 -13.269   4.332  -5.219
  267   HH11  ARG  36          1HH1      ARG  36 -13.583   6.025  -2.179
  268   HH12  ARG  36          2HH1      ARG  36 -14.598   7.276  -2.816
  269   HH21  ARG  36          1HH2      ARG  36 -14.610   5.989  -6.077
  270   HH22  ARG  36          2HH2      ARG  36 -15.194   7.253  -5.034
  271    H    TYR  37           H        TYR  37  -8.669   0.797  -1.449
  272    HA   TYR  37           HA       TYR  37  -7.747  -0.312   0.251
  273    HB2  TYR  37           2HB      TYR  37  -7.835   1.675   1.685
  274    HB3  TYR  37           1HB      TYR  37  -9.511   1.308   2.101
  275    HD1  TYR  37           1HD      TYR  37  -6.021   0.082   2.424
  276    HD2  TYR  37           2HD      TYR  37 -10.018  -0.182   3.860
  277    HE1  TYR  37           1HE      TYR  37  -5.236  -1.239   4.343
  278    HE2  TYR  37           2HE      TYR  37  -9.247  -1.506   5.781
  279    HH   TYR  37           HH       TYR  37  -6.087  -1.695   6.731
  280    H    ARG  38           H        ARG  38 -10.912  -0.260  -0.601
  281    HA   ARG  38           HA       ARG  38 -11.382  -2.890   0.596
  282    HB2  ARG  38           2HB      ARG  38 -13.031  -1.017   1.148
  283    HB3  ARG  38           1HB      ARG  38 -13.510  -1.072  -0.542
  284    HG2  ARG  38           2HG      ARG  38 -13.569  -3.567   1.102
  285    HG3  ARG  38           1HG      ARG  38 -14.870  -2.384   1.248
  286    HD2  ARG  38           2HD      ARG  38 -13.982  -3.769  -1.286
  287    HD3  ARG  38           1HD      ARG  38 -15.449  -4.113  -0.366
  288    HE   ARG  38           HE       ARG  38 -15.788  -1.530  -0.891
  289   HH11  ARG  38          1HH1      ARG  38 -14.810  -4.173  -2.987
  290   HH12  ARG  38          2HH1      ARG  38 -15.450  -3.434  -4.428
  291   HH21  ARG  38          1HH2      ARG  38 -16.612  -0.552  -2.769
  292   HH22  ARG  38          2HH2      ARG  38 -16.476  -1.360  -4.302
  293    H    GLY  39           H        GLY  39  -9.977  -3.626  -1.029
  294    HA2  GLY  39           2HA      GLY  39 -11.431  -4.617  -3.301
  295    HA3  GLY  39           1HA      GLY  39 -10.145  -3.501  -3.746
  296    H    SER  40           H        SER  40  -7.972  -4.033  -3.138
  297    HA   SER  40           HA       SER  40  -7.554  -6.877  -2.585
  298    HB2  SER  40           2HB      SER  40  -5.419  -6.420  -3.999
  299    HB3  SER  40           1HB      SER  40  -6.952  -6.649  -4.836
  300    HG   SER  40           HG       SER  40  -5.805  -4.807  -5.593
  301    H    GLY  41           H        GLY  41  -7.690  -5.087  -0.492
  302    HA2  GLY  41           2HA      GLY  41  -4.987  -5.185   0.536
  303    HA3  GLY  41           1HA      GLY  41  -5.586  -3.571   0.237
  304    H    GLY  42           H        GLY  42  -7.676  -6.122   1.267
  305    HA2  GLY  42           2HA      GLY  42  -8.836  -4.785   3.391
  306    HA3  GLY  42           1HA      GLY  42  -8.802  -6.532   3.231
  307    H    ASN  43           H        ASN  43  -6.146  -7.080   3.537
  308    HA   ASN  43           HA       ASN  43  -5.540  -6.054   6.225
  309    HB2  ASN  43           2HB      ASN  43  -5.049  -8.761   4.993
  310    HB3  ASN  43           1HB      ASN  43  -4.139  -8.213   6.396
  311   HD21  ASN  43          1HD2      ASN  43  -6.292  -6.759   7.594
  312   HD22  ASN  43          2HD2      ASN  43  -7.429  -7.921   8.193
  313    H    GLY  44           H        GLY  44  -4.817  -4.496   4.178
  314    HA2  GLY  44           2HA      GLY  44  -2.002  -5.064   3.603
  315    HA3  GLY  44           1HA      GLY  44  -2.983  -3.821   2.838
  316    H    ASN  45           H        ASN  45  -0.879  -2.656   3.398
  317    HA   ASN  45           HA       ASN  45  -0.663  -1.892   6.193
  318    HB2  ASN  45           2HB      ASN  45   1.344  -2.282   4.697
  319    HB3  ASN  45           1HB      ASN  45   0.916  -0.787   3.869
  320   HD21  ASN  45          1HD2      ASN  45   1.130   1.190   4.975
  321   HD22  ASN  45          2HD2      ASN  45   2.072   1.323   6.415
  322    H    ARG  46           H        ARG  46  -1.686  -0.526   3.132
  323    HA   ARG  46           HA       ARG  46  -2.904   1.294   2.570
  324    HB2  ARG  46           2HB      ARG  46  -4.467   0.629   4.282
  325    HB3  ARG  46           1HB      ARG  46  -3.481   1.380   5.533
  326    HG2  ARG  46           2HG      ARG  46  -3.908   3.575   4.491
  327    HG3  ARG  46           1HG      ARG  46  -4.970   2.782   3.325
  328    HD2  ARG  46           2HD      ARG  46  -6.254   3.751   5.167
  329    HD3  ARG  46           1HD      ARG  46  -6.390   1.992   5.149
  330    HE   ARG  46           HE       ARG  46  -4.324   3.091   6.878
  331   HH11  ARG  46          1HH1      ARG  46  -7.611   1.907   6.625
  332   HH12  ARG  46          2HH1      ARG  46  -7.761   1.567   8.317
  333   HH21  ARG  46          1HH2      ARG  46  -4.506   2.616   9.116
  334   HH22  ARG  46          2HH2      ARG  46  -5.998   1.971   9.732
  335    H    PHE  47           H        PHE  47  -2.025   3.080   1.856
  336    HA   PHE  47           HA       PHE  47  -0.209   4.592   3.629
  337    HB2  PHE  47           2HB      PHE  47   0.064   3.886   0.708
  338    HB3  PHE  47           1HB      PHE  47   1.003   5.171   1.458
  339    HD1  PHE  47           1HD      PHE  47   2.300   4.501   3.597
  340    HD2  PHE  47           2HD      PHE  47   0.898   1.740   0.684
  341    HE1  PHE  47           1HE      PHE  47   3.959   2.870   4.353
  342    HE2  PHE  47           2HE      PHE  47   2.565   0.092   1.439
  343    HZ   PHE  47           HZ       PHE  47   4.104   0.659   3.275
  344    H    LYS  48           H        LYS  48  -1.326   6.370   4.147
  345    HA   LYS  48           HA       LYS  48  -3.349   7.648   2.889
  346    HB2  LYS  48           2HB      LYS  48  -1.103   9.000   4.381
  347    HB3  LYS  48           1HB      LYS  48  -2.709   9.657   4.116
  348    HG2  LYS  48           2HG      LYS  48  -1.863   7.418   5.911
  349    HG3  LYS  48           1HG      LYS  48  -2.811   8.859   6.292
  350    HD2  LYS  48           2HD      LYS  48  -4.448   7.753   4.513
  351    HD3  LYS  48           1HD      LYS  48  -3.648   6.291   5.068
  352    HE2  LYS  48           2HE      LYS  48  -4.307   6.671   7.318
  353    HE3  LYS  48           1HE      LYS  48  -4.879   8.295   6.940
  354    HZ1  LYS  48           3HZ      LYS  48  -6.605   7.308   5.542
  355    HZ2  LYS  48           1HZ      LYS  48  -6.723   6.776   7.148
  356    HZ3  LYS  48           2HZ      LYS  48  -6.073   5.756   5.965
  357    H    THR  49           H        THR  49   0.086   8.363   2.397
  358    HA   THR  49           HA       THR  49  -0.648   9.532  -0.203
  359    HB   THR  49           HB       THR  49   1.304  11.036   0.015
  360    HG1  THR  49           1HG      THR  49   2.065  11.252   2.301
  361   HG21  THR  49          3HG2      THR  49   0.313  12.584   1.649
  362   HG22  THR  49          1HG2      THR  49  -0.723  11.283   2.235
  363   HG23  THR  49          2HG2      THR  49  -0.907  11.881   0.586
  364    H    LEU  50           H        LEU  50   0.995   9.326  -1.869
  365    HA   LEU  50           HA       LEU  50   2.351   6.789  -1.667
  366    HB2  LEU  50           2HB      LEU  50   1.742   6.694  -3.800
  367    HB3  LEU  50           1HB      LEU  50   1.228   8.352  -3.757
  368    HG   LEU  50           HG       LEU  50   2.653   7.926  -5.650
  369   HD11  LEU  50          1HD1      LEU  50   3.924   9.711  -3.609
  370   HD12  LEU  50          2HD1      LEU  50   2.732  10.140  -4.835
  371   HD13  LEU  50          3HD1      LEU  50   4.363   9.673  -5.318
  372   HD21  LEU  50          3HD2      LEU  50   3.980   6.080  -4.753
  373   HD22  LEU  50          1HD2      LEU  50   4.870   7.214  -3.733
  374   HD23  LEU  50          2HD2      LEU  50   4.982   7.328  -5.490
  375    H    GLU  51           H        GLU  51   3.058  10.133  -1.471
  376    HA   GLU  51           HA       GLU  51   5.861   9.940  -1.778
  377    HB2  GLU  51           2HB      GLU  51   5.983  12.088  -0.594
  378    HB3  GLU  51           1HB      GLU  51   4.744  12.100  -1.839
  379    HG2  GLU  51           2HG      GLU  51   3.034  11.760  -0.144
  380    HG3  GLU  51           1HG      GLU  51   4.273  11.752   1.110
  381    H    ASP  52           H        ASP  52   3.720   9.367   0.909
  382    HA   ASP  52           HA       ASP  52   5.772   8.865   2.849
  383    HB2  ASP  52           2HB      ASP  52   3.319   9.379   3.342
  384    HB3  ASP  52           1HB      ASP  52   2.961   7.740   2.824
  385    H    CYS  53           H        CYS  53   3.678   6.892   0.846
  386    HA   CYS  53           HA       CYS  53   4.612   4.364   1.508
  387    HB2  CYS  53           2HB      CYS  53   2.587   4.729   0.212
  388    HB3  CYS  53           1HB      CYS  53   3.523   5.404  -1.115
  389    H    GLU  54           H        GLU  54   5.691   6.535  -1.100
  390    HA   GLU  54           HA       GLU  54   7.660   4.760  -2.091
  391    HB2  GLU  54           2HB      GLU  54   8.403   6.568  -3.465
  392    HB3  GLU  54           1HB      GLU  54   6.654   6.685  -3.381
  393    HG2  GLU  54           2HG      GLU  54   6.849   8.456  -1.721
  394    HG3  GLU  54           1HG      GLU  54   8.603   8.310  -1.767
  395    H    ALA  55           H        ALA  55   7.645   7.228   0.367
  396    HA   ALA  55           HA       ALA  55  10.362   7.611   0.639
  397    HB1  ALA  55           1HB      ALA  55   8.141   7.665   2.674
  398    HB2  ALA  55           2HB      ALA  55   8.947   9.028   1.895
  399    HB3  ALA  55           3HB      ALA  55   9.811   8.059   3.088
  400    H    THR  56           H        THR  56   8.404   5.505   2.705
  401    HA   THR  56           HA       THR  56  10.641   4.113   3.698
  402    HB   THR  56           HB       THR  56   8.634   4.272   5.032
  403    HG1  THR  56           1HG      THR  56   9.528   2.460   5.728
  404   HG21  THR  56          3HG2      THR  56   7.303   2.603   2.901
  405   HG22  THR  56          1HG2      THR  56   6.960   4.292   3.270
  406   HG23  THR  56          2HG2      THR  56   6.588   3.038   4.453
  407    H    CYS  57           H        CYS  57   8.329   3.301   1.111
  408    HA   CYS  57           HA       CYS  57   9.369   0.586   1.052
  409    HB2  CYS  57           2HB      CYS  57   6.922   1.048   0.914
  410    HB3  CYS  57           1HB      CYS  57   7.192   1.782  -0.663
  411    H    VAL  58           H        VAL  58   9.297   3.434  -1.059
  412    HA   VAL  58           HA       VAL  58  10.461   1.983  -3.238
  413    HB   VAL  58           HB       VAL  58   9.782   4.889  -2.854
  414   HG11  VAL  58          1HG1      VAL  58  11.127   3.698  -5.283
  415   HG12  VAL  58          2HG1      VAL  58  11.894   4.791  -4.129
  416   HG13  VAL  58          3HG1      VAL  58  10.542   5.355  -5.116
  417   HG21  VAL  58          3HG2      VAL  58   7.939   3.405  -3.372
  418   HG22  VAL  58          1HG2      VAL  58   8.821   2.740  -4.747
  419   HG23  VAL  58          2HG2      VAL  58   8.284   4.419  -4.775
  420    H    THR  59           H        THR  59  11.750   3.990  -0.596
  421    HA   THR  59           HA       THR  59  14.313   4.055  -1.940
  422    HB   THR  59           HB       THR  59  15.185   5.276  -0.085
  423    HG1  THR  59           1HG      THR  59  12.759   5.306   1.299
  424   HG21  THR  59          3HG2      THR  59  12.401   6.269  -0.673
  425   HG22  THR  59          1HG2      THR  59  13.780   6.440  -1.760
  426   HG23  THR  59          2HG2      THR  59  13.796   7.235  -0.187
  427    H    ALA  60           H        ALA  60  13.114   2.670   1.086
  428    HA   ALA  60           HA       ALA  60  15.547   1.247   1.556
  429    HB1  ALA  60           1HB      ALA  60  12.890   0.859   2.910
  430    HB2  ALA  60           2HB      ALA  60  14.093   2.060   3.376
  431    HB3  ALA  60           3HB      ALA  60  14.467   0.340   3.505
  432    H    GLU  61           H        GLU  61  12.435   0.431   0.225
  433    HA   GLU  61           HA       GLU  61  11.591  -1.381  -0.826
  434    HB2  GLU  61           2HB      GLU  61  14.473  -1.683  -1.646
  435    HB3  GLU  61           1HB      GLU  61  13.105  -2.449  -2.444
  436    HG2  GLU  61           2HG      GLU  61  12.208  -0.118  -2.838
  437    HG3  GLU  61           1HG      GLU  61  13.783   0.472  -2.312
  Start of MODEL    7
    1    H2   PRO   1           1HT      PRO   1  21.404  -6.480   2.326
    2    H3   PRO   1           2HT      PRO   1  21.950  -7.379   1.070
    3    HA   PRO   1           HA       PRO   1  20.089  -8.341   0.750
    4    HB2  PRO   1           2HB      PRO   1  18.821  -8.807   3.209
    5    HB3  PRO   1           1HB      PRO   1  19.731  -9.984   2.245
    6    HG2  PRO   1           2HG      PRO   1  20.618  -8.328   4.552
    7    HG3  PRO   1           1HG      PRO   1  21.103  -9.970   4.094
    8    HD2  PRO   1           2HD      PRO   1  22.737  -7.905   3.680
    9    HD3  PRO   1           1HD      PRO   1  22.609  -9.208   2.485
   10    H    ALA   2           H        ALA   2  17.601  -8.010   1.512
   11    HA   ALA   2           HA       ALA   2  17.217  -5.160   1.293
   12    HB1  ALA   2           1HB      ALA   2  15.180  -7.381   1.440
   13    HB2  ALA   2           2HB      ALA   2  15.878  -6.721  -0.039
   14    HB3  ALA   2           3HB      ALA   2  14.865  -5.704   0.986
   15    H    GLN   3           H        GLN   3  15.018  -4.497   2.624
   16    HA   GLN   3           HA       GLN   3  15.905  -4.438   5.332
   17    HB2  GLN   3           2HB      GLN   3  13.575  -3.162   5.482
   18    HB3  GLN   3           1HB      GLN   3  15.035  -2.400   4.892
   19    HG2  GLN   3           2HG      GLN   3  13.156  -1.830   3.488
   20    HG3  GLN   3           1HG      GLN   3  14.302  -2.814   2.586
   21   HE21  GLN   3          1HE2      GLN   3  13.599  -4.667   1.658
   22   HE22  GLN   3          2HE2      GLN   3  12.008  -5.318   1.862
   23    H    ASP   4           H        ASP   4  12.509  -4.580   4.913
   24    HA   ASP   4           HA       ASP   4  12.349  -7.235   6.161
   25    HB2  ASP   4           2HB      ASP   4  12.218  -5.324   7.845
   26    HB3  ASP   4           1HB      ASP   4  10.720  -4.855   7.066
   27    H    TYR   5           H        TYR   5   9.366  -6.578   6.478
   28    HA   TYR   5           HA       TYR   5   8.576  -7.347   3.802
   29    HB2  TYR   5           2HB      TYR   5   7.060  -6.935   6.367
   30    HB3  TYR   5           1HB      TYR   5   6.236  -7.235   4.840
   31    HD1  TYR   5           2HD      TYR   5   7.499  -9.328   3.524
   32    HD2  TYR   5           1HD      TYR   5   7.197  -8.769   7.730
   33    HE1  TYR   5           2HE      TYR   5   7.797 -11.743   3.861
   34    HE2  TYR   5           1HE      TYR   5   7.500 -11.183   8.080
   35    HH   TYR   5           HH       TYR   5   7.111 -13.306   6.715
   36    H    ARG   6           H        ARG   6   9.068  -4.430   5.375
   37    HA   ARG   6           HA       ARG   6   6.751  -3.011   4.596
   38    HB2  ARG   6           2HB      ARG   6   7.977  -1.026   5.374
   39    HB3  ARG   6           1HB      ARG   6   7.959  -2.347   6.536
   40    HG2  ARG   6           2HG      ARG   6  10.218  -2.995   5.617
   41    HG3  ARG   6           1HG      ARG   6  10.198  -1.439   4.793
   42    HD2  ARG   6           2HD      ARG   6  11.394  -1.271   6.916
   43    HD3  ARG   6           1HD      ARG   6   9.911  -0.313   6.963
   44    HE   ARG   6           HE       ARG   6   9.301  -2.851   7.950
   45   HH11  ARG   6          1HH1      ARG   6  11.284  -0.107   8.863
   46   HH12  ARG   6          2HH1      ARG   6  11.145  -0.424  10.571
   47   HH21  ARG   6          1HH2      ARG   6   9.158  -3.289  10.163
   48   HH22  ARG   6          2HH2      ARG   6   9.957  -2.258  11.314
   49    H    CYS   7           H        CYS   7   9.225  -4.021   2.627
   50    HA   CYS   7           HA       CYS   7   8.467  -1.932   0.695
   51    HB2  CYS   7           2HB      CYS   7  10.856  -1.792   1.492
   52    HB3  CYS   7           1HB      CYS   7  11.132  -3.342   0.708
   53    H    GLN   8           H        GLN   8   7.536  -4.750   1.376
   54    HA   GLN   8           HA       GLN   8   7.241  -5.511  -1.429
   55    HB2  GLN   8           2HB      GLN   8   7.261  -7.969  -0.605
   56    HB3  GLN   8           1HB      GLN   8   8.793  -7.156  -0.886
   57    HG2  GLN   8           2HG      GLN   8   8.918  -6.690   1.554
   58    HG3  GLN   8           1HG      GLN   8   7.465  -7.666   1.766
   59   HE21  GLN   8          1HE2      GLN   8  10.225  -8.027   2.754
   60   HE22  GLN   8          2HE2      GLN   8  10.699  -9.606   2.217
   61    H    LEU   9           H        LEU   9   6.179  -6.307   1.856
   62    HA   LEU   9           HA       LEU   9   4.212  -5.979   2.899
   63    HB2  LEU   9           2HB      LEU   9   3.812  -4.132   0.558
   64    HB3  LEU   9           1HB      LEU   9   2.752  -4.184   1.957
   65    HG   LEU   9           HG       LEU   9   5.705  -3.580   2.112
   66   HD11  LEU   9          1HD1      LEU   9   5.051  -1.248   2.398
   67   HD12  LEU   9          2HD1      LEU   9   3.367  -1.677   2.098
   68   HD13  LEU   9          3HD1      LEU   9   4.565  -1.860   0.817
   69   HD21  LEU   9          3HD2      LEU   9   4.801  -4.461   4.175
   70   HD22  LEU   9          1HD2      LEU   9   3.450  -3.322   4.104
   71   HD23  LEU   9          2HD2      LEU   9   5.092  -2.728   4.350
   72    H    SER  10           H        SER  10   1.694  -5.529   2.185
   73    HA   SER  10           HA       SER  10   0.858  -7.709   0.442
   74    HB2  SER  10           2HB      SER  10  -0.612  -8.578   2.221
   75    HB3  SER  10           1HB      SER  10   1.096  -8.735   2.626
   76    HG   SER  10           HG       SER  10  -0.041  -6.364   3.443
   77    H    ARG  11           H        ARG  11  -0.815  -7.069  -0.748
   78    HA   ARG  11           HA       ARG  11  -2.377  -4.773   0.168
   79    HB2  ARG  11           2HB      ARG  11  -3.296  -4.751  -2.146
   80    HB3  ARG  11           1HB      ARG  11  -1.566  -4.460  -2.053
   81    HG2  ARG  11           2HG      ARG  11  -2.401  -7.224  -2.408
   82    HG3  ARG  11           1HG      ARG  11  -2.703  -6.149  -3.766
   83    HD2  ARG  11           2HD      ARG  11  -0.330  -5.483  -3.718
   84    HD3  ARG  11           1HD      ARG  11  -0.054  -6.603  -2.385
   85    HE   ARG  11           HE       ARG  11  -0.473  -8.422  -3.898
   86   HH11  ARG  11          1HH1      ARG  11  -0.216  -5.277  -5.361
   87   HH12  ARG  11          2HH1      ARG  11   0.231  -5.869  -6.934
   88   HH21  ARG  11          1HH2      ARG  11   0.174  -9.255  -5.937
   89   HH22  ARG  11          2HH2      ARG  11   0.456  -8.157  -7.257
   90    H    ASN  12           H        ASN  12  -4.745  -5.206  -1.138
   91    HA   ASN  12           HA       ASN  12  -5.900  -7.732  -0.698
   92    HB2  ASN  12           2HB      ASN  12  -5.508  -7.180   1.661
   93    HB3  ASN  12           1HB      ASN  12  -6.394  -5.677   1.478
   94   HD21  ASN  12          1HD2      ASN  12  -6.621  -9.100   1.863
   95   HD22  ASN  12          2HD2      ASN  12  -8.338  -9.169   2.072
   96    H    TYR  13           H        TYR  13  -7.664  -5.005   0.451
   97    HA   TYR  13           HA       TYR  13  -8.411  -3.762  -1.923
   98    HB2  TYR  13           2HB      TYR  13  -9.563  -6.173  -1.968
   99    HB3  TYR  13           1HB      TYR  13 -10.735  -5.341  -0.952
  100    HD1  TYR  13           1HD      TYR  13 -11.757  -3.167  -1.877
  101    HD2  TYR  13           2HD      TYR  13  -9.644  -5.958  -4.289
  102    HE1  TYR  13           1HE      TYR  13 -12.802  -2.211  -3.885
  103    HE2  TYR  13           2HE      TYR  13 -10.679  -5.009  -6.309
  104    HH   TYR  13           HH       TYR  13 -12.196  -2.067  -6.382
  105    H    GLY  14           H        GLY  14  -9.570  -4.895   1.194
  106    HA2  GLY  14           2HA      GLY  14  -9.155  -2.904   2.809
  107    HA3  GLY  14           1HA      GLY  14 -10.408  -2.157   1.835
  108    H    LYS  15           H        LYS  15 -10.920  -2.247   4.409
  109    HA   LYS  15           HA       LYS  15 -12.170  -4.613   5.362
  110    HB2  LYS  15           2HB      LYS  15 -12.904  -1.898   6.313
  111    HB3  LYS  15           1HB      LYS  15 -12.829  -3.384   7.230
  112    HG2  LYS  15           2HG      LYS  15 -10.374  -2.140   6.094
  113    HG3  LYS  15           1HG      LYS  15 -11.044  -1.591   7.631
  114    HD2  LYS  15           2HD      LYS  15 -10.964  -3.986   8.401
  115    HD3  LYS  15           1HD      LYS  15 -10.057  -4.353   6.933
  116    HE2  LYS  15           2HE      LYS  15  -8.248  -2.994   7.589
  117    HE3  LYS  15           1HE      LYS  15  -9.190  -2.221   8.865
  118    HZ1  LYS  15           3HZ      LYS  15  -8.301  -5.061   8.823
  119    HZ2  LYS  15           1HZ      LYS  15  -9.254  -4.348  10.036
  120    HZ3  LYS  15           2HZ      LYS  15  -7.660  -3.820   9.789
  121    H    GLY  16           H        GLY  16 -13.505  -1.515   4.578
  122    HA2  GLY  16           2HA      GLY  16 -15.474  -1.680   2.931
  123    HA3  GLY  16           1HA      GLY  16 -16.125  -2.761   4.151
  124    H    SER  17           H        SER  17 -14.202  -0.218   5.312
  125    HA   SER  17           HA       SER  17 -16.341   0.751   6.911
  126    HB2  SER  17           2HB      SER  17 -14.472   2.404   7.604
  127    HB3  SER  17           1HB      SER  17 -14.293   0.697   8.009
  128    HG   SER  17           HG       SER  17 -12.770   2.265   6.382
  129    H    GLY  18           H        GLY  18 -14.554   2.028   4.200
  130    HA2  GLY  18           2HA      GLY  18 -16.594   3.745   3.374
  131    HA3  GLY  18           1HA      GLY  18 -15.437   4.668   4.326
  132    H    SER  19           H        SER  19 -16.144   3.313   1.323
  133    HA   SER  19           HA       SER  19 -13.623   2.993   0.182
  134    HB2  SER  19           2HB      SER  19 -14.846   3.595  -1.986
  135    HB3  SER  19           1HB      SER  19 -15.354   2.151  -1.110
  136    HG   SER  19           HG       SER  19 -17.064   3.385  -0.216
  137    H    PHE  20           H        PHE  20 -12.086   4.291   0.033
  138    HA   PHE  20           HA       PHE  20 -12.523   7.124  -0.641
  139    HB2  PHE  20           2HB      PHE  20 -11.459   6.097   1.757
  140    HB3  PHE  20           1HB      PHE  20 -10.073   6.657   0.833
  141    HD1  PHE  20           1HD      PHE  20  -9.831   9.018   0.256
  142    HD2  PHE  20           2HD      PHE  20 -13.081   7.625   2.628
  143    HE1  PHE  20           1HE      PHE  20 -10.305  11.327   0.961
  144    HE2  PHE  20           2HE      PHE  20 -13.562   9.933   3.334
  145    HZ   PHE  20           HZ       PHE  20 -12.170  11.785   2.499
  146    H    THR  21           H        THR  21  -9.529   7.375  -0.628
  147    HA   THR  21           HA       THR  21  -8.710   5.375  -2.595
  148    HB   THR  21           HB       THR  21  -8.079   8.241  -3.189
  149    HG1  THR  21           1HG      THR  21 -10.458   6.825  -3.746
  150   HG21  THR  21          3HG2      THR  21  -8.441   6.014  -5.145
  151   HG22  THR  21          1HG2      THR  21  -6.978   6.092  -4.157
  152   HG23  THR  21          2HG2      THR  21  -7.387   7.427  -5.240
  153    H    ASN  22           H        ASN  22  -7.372   4.596  -1.080
  154    HA   ASN  22           HA       ASN  22  -5.124   6.305  -0.226
  155    HB2  ASN  22           2HB      ASN  22  -6.165   3.675   0.887
  156    HB3  ASN  22           1HB      ASN  22  -4.661   4.430   1.400
  157   HD21  ASN  22          1HD2      ASN  22  -5.767   7.138   1.207
  158   HD22  ASN  22          2HD2      ASN  22  -6.820   7.320   2.565
  159    H    TYR  23           H        TYR  23  -3.054   4.857  -0.130
  160    HA   TYR  23           HA       TYR  23  -2.897   3.601  -2.780
  161    HB2  TYR  23           2HB      TYR  23  -0.787   4.872  -1.012
  162    HB3  TYR  23           1HB      TYR  23  -0.406   3.989  -2.486
  163    HD1  TYR  23           1HD      TYR  23  -2.623   6.772  -1.342
  164    HD2  TYR  23           2HD      TYR  23  -0.124   5.229  -4.419
  165    HE1  TYR  23           1HE      TYR  23  -2.941   8.843  -2.628
  166    HE2  TYR  23           2HE      TYR  23  -0.436   7.298  -5.716
  167    HH   TYR  23           HH       TYR  23  -1.835   9.174  -5.909
  168    H    TYR  24           H        TYR  24  -1.542   1.739  -3.010
  169    HA   TYR  24           HA       TYR  24  -0.709   0.313  -0.610
  170    HB2  TYR  24           2HB      TYR  24  -1.909  -1.664  -1.017
  171    HB3  TYR  24           1HB      TYR  24  -3.105  -0.416  -1.347
  172    HD1  TYR  24           2HD      TYR  24  -3.746   0.093  -3.697
  173    HD2  TYR  24           1HD      TYR  24  -1.117  -3.117  -2.749
  174    HE1  TYR  24           2HE      TYR  24  -4.116  -0.879  -5.929
  175    HE2  TYR  24           1HE      TYR  24  -1.469  -4.085  -4.936
  176    HH   TYR  24           HH       TYR  24  -2.920  -2.408  -7.495
  177    H    TYR  25           H        TYR  25   1.003  -1.159  -1.101
  178    HA   TYR  25           HA       TYR  25   2.424  -0.338  -3.461
  179    HB2  TYR  25           2HB      TYR  25   3.704  -0.458  -1.462
  180    HB3  TYR  25           1HB      TYR  25   3.160  -2.092  -1.144
  181    HD1  TYR  25           2HD      TYR  25   5.162  -0.069  -3.502
  182    HD2  TYR  25           1HD      TYR  25   4.420  -3.939  -1.905
  183    HE1  TYR  25           2HE      TYR  25   7.154  -0.917  -4.652
  184    HE2  TYR  25           1HE      TYR  25   6.418  -4.799  -3.055
  185    HH   TYR  25           HH       TYR  25   7.821  -4.217  -5.006
  186    H    ASP  26           H        ASP  26   2.739  -1.390  -5.260
  187    HA   ASP  26           HA       ASP  26   1.896  -4.195  -5.490
  188    HB2  ASP  26           2HB      ASP  26   0.042  -3.063  -6.391
  189    HB3  ASP  26           1HB      ASP  26   1.052  -1.840  -7.154
  190    H    LYS  27           H        LYS  27   3.393  -5.426  -6.526
  191    HA   LYS  27           HA       LYS  27   5.626  -4.072  -7.734
  192    HB2  LYS  27           2HB      LYS  27   6.274  -6.688  -7.920
  193    HB3  LYS  27           1HB      LYS  27   6.646  -5.655  -6.545
  194    HG2  LYS  27           2HG      LYS  27   4.327  -6.329  -5.725
  195    HG3  LYS  27           1HG      LYS  27   4.474  -7.666  -6.867
  196    HD2  LYS  27           2HD      LYS  27   5.230  -8.385  -4.674
  197    HD3  LYS  27           1HD      LYS  27   6.603  -8.314  -5.784
  198    HE2  LYS  27           2HE      LYS  27   5.945  -5.922  -4.147
  199    HE3  LYS  27           1HE      LYS  27   6.741  -7.286  -3.358
  200    HZ1  LYS  27           3HZ      LYS  27   8.619  -7.068  -4.731
  201    HZ2  LYS  27           1HZ      LYS  27   8.223  -5.477  -4.305
  202    HZ3  LYS  27           2HZ      LYS  27   7.821  -6.064  -5.840
  203    H    ALA  28           H        ALA  28   2.882  -4.525  -9.077
  204    HA   ALA  28           HA       ALA  28   3.922  -5.677 -11.565
  205    HB1  ALA  28           1HB      ALA  28   1.166  -4.637 -10.892
  206    HB2  ALA  28           2HB      ALA  28   1.658  -6.331 -10.945
  207    HB3  ALA  28           3HB      ALA  28   1.638  -5.372 -12.426
  208    H    THR  29           H        THR  29   3.126  -2.728  -9.967
  209    HA   THR  29           HA       THR  29   4.008  -1.180 -12.311
  210    HB   THR  29           HB       THR  29   1.841  -0.509 -11.296
  211    HG1  THR  29           1HG      THR  29   3.018   1.129 -12.299
  212   HG21  THR  29          3HG2      THR  29   3.485   0.213  -8.869
  213   HG22  THR  29          1HG2      THR  29   2.361  -1.144  -8.974
  214   HG23  THR  29          2HG2      THR  29   1.761   0.512  -9.095
  215    H    SER  30           H        SER  30   5.081  -2.570  -9.518
  216    HA   SER  30           HA       SER  30   7.025  -2.574  -8.383
  217    HB2  SER  30           2HB      SER  30   7.891  -0.814 -10.675
  218    HB3  SER  30           1HB      SER  30   8.997  -1.503  -9.482
  219    HG   SER  30           HG       SER  30   8.782  -3.424 -10.371
  220    H    SER  31           H        SER  31   4.964  -0.465  -7.937
  221    HA   SER  31           HA       SER  31   6.429   1.000  -5.954
  222    HB2  SER  31           2HB      SER  31   4.942   2.661  -8.002
  223    HB3  SER  31           1HB      SER  31   5.986   3.228  -6.695
  224    HG   SER  31           HG       SER  31   7.483   1.643  -8.122
  225    H    CYS  32           H        CYS  32   4.317   2.973  -5.557
  226    HA   CYS  32           HA       CYS  32   2.305   1.119  -4.538
  227    HB2  CYS  32           2HB      CYS  32   3.424   3.603  -3.575
  228    HB3  CYS  32           1HB      CYS  32   1.659   3.686  -3.660
  229    H    LYS  33           H        LYS  33   0.353   0.972  -5.285
  230    HA   LYS  33           HA       LYS  33  -0.663   2.930  -7.239
  231    HB2  LYS  33           2HB      LYS  33  -0.457   0.588  -8.032
  232    HB3  LYS  33           1HB      LYS  33  -1.495   0.050  -6.736
  233    HG2  LYS  33           2HG      LYS  33  -2.723   0.096  -8.794
  234    HG3  LYS  33           1HG      LYS  33  -3.338   1.350  -7.723
  235    HD2  LYS  33           2HD      LYS  33  -1.308   1.941  -9.854
  236    HD3  LYS  33           1HD      LYS  33  -3.033   1.935 -10.196
  237    HE2  LYS  33           2HE      LYS  33  -3.234   3.569  -8.255
  238    HE3  LYS  33           1HE      LYS  33  -1.486   3.729  -8.353
  239    HZ1  LYS  33           3HZ      LYS  33  -3.406   4.301 -10.547
  240    HZ2  LYS  33           1HZ      LYS  33  -1.718   4.427 -10.660
  241    HZ3  LYS  33           2HZ      LYS  33  -2.575   5.456  -9.621
  242    H    THR  34           H        THR  34  -3.422   2.211  -6.874
  243    HA   THR  34           HA       THR  34  -3.816   3.141  -4.118
  244    HB   THR  34           HB       THR  34  -5.846   4.385  -5.132
  245    HG1  THR  34           1HG      THR  34  -5.715   3.866  -7.271
  246   HG21  THR  34          3HG2      THR  34  -3.029   5.406  -5.400
  247   HG22  THR  34          1HG2      THR  34  -4.015   5.410  -3.934
  248   HG23  THR  34          2HG2      THR  34  -4.487   6.400  -5.321
  249    H    PHE  35           H        PHE  35  -6.200   3.111  -3.496
  250    HA   PHE  35           HA       PHE  35  -7.945   1.203  -4.618
  251    HB2  PHE  35           2HB      PHE  35  -7.707  -0.677  -3.234
  252    HB3  PHE  35           1HB      PHE  35  -6.058  -0.273  -3.670
  253    HD1  PHE  35           1HD      PHE  35  -5.812   2.070  -1.608
  254    HD2  PHE  35           2HD      PHE  35  -7.181  -1.959  -1.360
  255    HE1  PHE  35           1HE      PHE  35  -5.240   1.999   0.787
  256    HE2  PHE  35           2HE      PHE  35  -6.589  -2.024   1.020
  257    HZ   PHE  35           HZ       PHE  35  -5.619  -0.039   2.098
  258    H    ARG  36           H        ARG  36  -9.759   0.800  -3.177
  259    HA   ARG  36           HA       ARG  36 -10.658   3.313  -2.217
  260    HB2  ARG  36           2HB      ARG  36 -11.745   0.521  -2.277
  261    HB3  ARG  36           1HB      ARG  36 -12.672   1.853  -1.610
  262    HG2  ARG  36           2HG      ARG  36 -11.642   1.730  -4.431
  263    HG3  ARG  36           1HG      ARG  36 -13.278   1.290  -3.933
  264    HD2  ARG  36           2HD      ARG  36 -13.503   3.591  -2.976
  265    HD3  ARG  36           1HD      ARG  36 -11.964   3.988  -3.742
  266    HE   ARG  36           HE       ARG  36 -13.597   2.920  -5.720
  267   HH11  ARG  36          1HH1      ARG  36 -13.572   5.707  -3.597
  268   HH12  ARG  36          2HH1      ARG  36 -14.454   6.722  -4.700
  269   HH21  ARG  36          1HH2      ARG  36 -14.747   4.276  -7.192
  270   HH22  ARG  36          2HH2      ARG  36 -15.100   5.915  -6.731
  271    H    TYR  37           H        TYR  37  -9.135   0.647  -0.766
  272    HA   TYR  37           HA       TYR  37  -8.643   0.005   1.341
  273    HB2  TYR  37           2HB      TYR  37  -8.158   2.392   1.778
  274    HB3  TYR  37           1HB      TYR  37  -9.857   2.624   2.198
  275    HD1  TYR  37           1HD      TYR  37  -7.285   0.054   3.127
  276    HD2  TYR  37           2HD      TYR  37 -10.088   2.965   4.465
  277    HE1  TYR  37           1HE      TYR  37  -6.766  -0.522   5.463
  278    HE2  TYR  37           2HE      TYR  37  -9.578   2.393   6.797
  279    HH   TYR  37           HH       TYR  37  -8.685   0.559   8.087
  280    H    ARG  38           H        ARG  38 -11.484   0.215   0.064
  281    HA   ARG  38           HA       ARG  38 -12.955  -1.042   2.248
  282    HB2  ARG  38           2HB      ARG  38 -13.848   1.196   2.064
  283    HB3  ARG  38           1HB      ARG  38 -13.966   1.059   0.317
  284    HG2  ARG  38           2HG      ARG  38 -15.468  -0.952   1.861
  285    HG3  ARG  38           1HG      ARG  38 -16.033   0.715   2.003
  286    HD2  ARG  38           2HD      ARG  38 -16.744   0.797  -0.146
  287    HD3  ARG  38           1HD      ARG  38 -15.421  -0.210  -0.731
  288    HE   ARG  38           HE       ARG  38 -17.463  -1.564   0.824
  289   HH11  ARG  38          1HH1      ARG  38 -16.299  -0.667  -2.355
  290   HH12  ARG  38          2HH1      ARG  38 -17.126  -1.967  -3.154
  291   HH21  ARG  38          1HH2      ARG  38 -18.530  -3.288  -0.228
  292   HH22  ARG  38          2HH2      ARG  38 -18.402  -3.447  -1.960
  293    H    GLY  39           H        GLY  39 -12.471  -3.025   1.401
  294    HA2  GLY  39           2HA      GLY  39 -13.677  -3.651  -1.199
  295    HA3  GLY  39           1HA      GLY  39 -12.459  -4.629  -0.393
  296    H    SER  40           H        SER  40 -13.108  -6.313   0.752
  297    HA   SER  40           HA       SER  40 -15.873  -6.428   1.704
  298    HB2  SER  40           2HB      SER  40 -15.768  -7.434  -0.590
  299    HB3  SER  40           1HB      SER  40 -14.616  -8.614   0.029
  300    HG   SER  40           HG       SER  40 -16.277  -9.227   1.555
  301    H    GLY  41           H        GLY  41 -13.076  -6.249   2.815
  302    HA2  GLY  41           2HA      GLY  41 -12.919  -7.008   5.165
  303    HA3  GLY  41           1HA      GLY  41 -13.273  -8.620   4.565
  304    H    GLY  42           H        GLY  42 -10.858  -6.529   5.468
  305    HA2  GLY  42           2HA      GLY  42  -8.712  -8.041   5.458
  306    HA3  GLY  42           1HA      GLY  42  -8.830  -7.708   3.734
  307    H    ASN  43           H        ASN  43  -6.576  -6.905   4.614
  308    HA   ASN  43           HA       ASN  43  -6.796  -4.004   4.813
  309    HB2  ASN  43           2HB      ASN  43  -6.651  -4.732   7.142
  310    HB3  ASN  43           1HB      ASN  43  -5.215  -5.684   6.776
  311   HD21  ASN  43          1HD2      ASN  43  -3.901  -4.626   8.188
  312   HD22  ASN  43          2HD2      ASN  43  -3.382  -2.979   7.957
  313    H    GLY  44           H        GLY  44  -5.396  -3.069   3.471
  314    HA2  GLY  44           2HA      GLY  44  -3.158  -4.706   2.461
  315    HA3  GLY  44           1HA      GLY  44  -3.946  -3.418   1.557
  316    H    ASN  45           H        ASN  45  -2.968  -3.345   4.925
  317    HA   ASN  45           HA       ASN  45  -1.465  -2.133   6.104
  318    HB2  ASN  45           2HB      ASN  45  -0.176  -1.917   3.401
  319    HB3  ASN  45           1HB      ASN  45   0.444  -0.995   4.768
  320   HD21  ASN  45          1HD2      ASN  45   1.375  -2.069   6.501
  321   HD22  ASN  45          2HD2      ASN  45   1.889  -3.719   6.386
  322    H    ARG  46           H        ARG  46  -2.506  -0.549   3.128
  323    HA   ARG  46           HA       ARG  46  -3.545   1.412   2.726
  324    HB2  ARG  46           2HB      ARG  46  -5.011   1.046   4.584
  325    HB3  ARG  46           1HB      ARG  46  -3.777   1.568   5.729
  326    HG2  ARG  46           2HG      ARG  46  -3.863   3.826   4.695
  327    HG3  ARG  46           1HG      ARG  46  -5.208   3.268   3.698
  328    HD2  ARG  46           2HD      ARG  46  -6.396   2.657   5.835
  329    HD3  ARG  46           1HD      ARG  46  -5.108   3.489   6.703
  330    HE   ARG  46           HE       ARG  46  -6.774   4.887   4.707
  331   HH11  ARG  46          1HH1      ARG  46  -5.347   4.657   7.899
  332   HH12  ARG  46          2HH1      ARG  46  -6.032   6.156   8.457
  333   HH21  ARG  46          1HH2      ARG  46  -7.690   6.869   5.444
  334   HH22  ARG  46          2HH2      ARG  46  -7.345   7.427   7.051
  335    H    PHE  47           H        PHE  47  -2.459   2.918   1.859
  336    HA   PHE  47           HA       PHE  47  -0.395   4.341   3.396
  337    HB2  PHE  47           2HB      PHE  47  -0.386   3.377   0.537
  338    HB3  PHE  47           1HB      PHE  47   0.703   4.642   1.085
  339    HD1  PHE  47           1HD      PHE  47   2.063   4.082   3.232
  340    HD2  PHE  47           2HD      PHE  47   0.307   1.185   0.662
  341    HE1  PHE  47           1HE      PHE  47   3.613   2.392   4.095
  342    HE2  PHE  47           2HE      PHE  47   1.861  -0.517   1.519
  343    HZ   PHE  47           HZ       PHE  47   3.519   0.084   3.240
  344    H    LYS  48           H        LYS  48  -0.493   6.543   3.315
  345    HA   LYS  48           HA       LYS  48  -2.918   7.749   2.474
  346    HB2  LYS  48           2HB      LYS  48  -0.523   9.471   2.810
  347    HB3  LYS  48           1HB      LYS  48  -2.132   9.662   3.463
  348    HG2  LYS  48           2HG      LYS  48   0.099   7.948   4.509
  349    HG3  LYS  48           1HG      LYS  48  -0.653   9.342   5.283
  350    HD2  LYS  48           2HD      LYS  48  -2.798   7.974   5.287
  351    HD3  LYS  48           1HD      LYS  48  -1.792   6.593   4.860
  352    HE2  LYS  48           2HE      LYS  48  -1.698   8.257   7.365
  353    HE3  LYS  48           1HE      LYS  48  -1.992   6.525   7.215
  354    HZ1  LYS  48           3HZ      LYS  48   0.219   6.749   7.951
  355    HZ2  LYS  48           1HZ      LYS  48   0.564   7.978   6.831
  356    HZ3  LYS  48           2HZ      LYS  48   0.338   6.384   6.297
  357    H    THR  49           H        THR  49   0.380   8.129   1.354
  358    HA   THR  49           HA       THR  49  -0.598   8.588  -1.373
  359    HB   THR  49           HB       THR  49   1.354  10.186  -1.630
  360    HG1  THR  49           1HG      THR  49   1.169  10.725   1.111
  361   HG21  THR  49          3HG2      THR  49   0.103  12.098  -0.709
  362   HG22  THR  49          1HG2      THR  49  -0.928  10.976   0.181
  363   HG23  THR  49          2HG2      THR  49  -0.946  10.981  -1.583
  364    H    LEU  50           H        LEU  50   1.307   8.379  -2.974
  365    HA   LEU  50           HA       LEU  50   2.624   5.919  -2.392
  366    HB2  LEU  50           2HB      LEU  50   2.133   5.841  -4.587
  367    HB3  LEU  50           1HB      LEU  50   2.109   7.581  -4.749
  368    HG   LEU  50           HG       LEU  50   3.703   6.436  -6.242
  369   HD11  LEU  50          1HD1      LEU  50   4.554   8.514  -4.312
  370   HD12  LEU  50          2HD1      LEU  50   4.248   8.625  -6.048
  371   HD13  LEU  50          3HD1      LEU  50   5.734   7.876  -5.461
  372   HD21  LEU  50          3HD2      LEU  50   4.384   4.632  -4.696
  373   HD22  LEU  50          1HD2      LEU  50   5.314   5.813  -3.764
  374   HD23  LEU  50          2HD2      LEU  50   5.744   5.467  -5.444
  375    H    GLU  51           H        GLU  51   3.385   9.269  -2.202
  376    HA   GLU  51           HA       GLU  51   6.199   8.993  -2.248
  377    HB2  GLU  51           2HB      GLU  51   6.210  11.277  -1.201
  378    HB3  GLU  51           1HB      GLU  51   5.310  11.153  -2.706
  379    HG2  GLU  51           2HG      GLU  51   3.225  10.998  -1.412
  380    HG3  GLU  51           1HG      GLU  51   4.158  11.209   0.071
  381    H    ASP  52           H        ASP  52   3.826   8.823   0.303
  382    HA   ASP  52           HA       ASP  52   5.668   8.589   2.481
  383    HB2  ASP  52           2HB      ASP  52   3.299   9.172   2.811
  384    HB3  ASP  52           1HB      ASP  52   2.811   7.615   2.170
  385    H    CYS  53           H        CYS  53   3.739   6.313   0.668
  386    HA   CYS  53           HA       CYS  53   4.660   3.891   1.595
  387    HB2  CYS  53           2HB      CYS  53   2.806   4.004   0.117
  388    HB3  CYS  53           1HB      CYS  53   3.763   4.779  -1.137
  389    H    GLU  54           H        GLU  54   5.978   5.810  -1.101
  390    HA   GLU  54           HA       GLU  54   8.089   3.982  -1.655
  391    HB2  GLU  54           2HB      GLU  54   8.890   5.588  -3.209
  392    HB3  GLU  54           1HB      GLU  54   7.142   5.673  -3.295
  393    HG2  GLU  54           2HG      GLU  54   7.119   7.688  -2.020
  394    HG3  GLU  54           1HG      GLU  54   8.837   7.543  -1.662
  395    H    ALA  55           H        ALA  55   7.641   6.582   0.568
  396    HA   ALA  55           HA       ALA  55  10.283   7.316   0.939
  397    HB1  ALA  55           1HB      ALA  55   7.954   7.291   2.850
  398    HB2  ALA  55           2HB      ALA  55   8.658   8.665   1.997
  399    HB3  ALA  55           3HB      ALA  55   9.547   7.896   3.310
  400    H    THR  56           H        THR  56   8.388   5.037   2.907
  401    HA   THR  56           HA       THR  56  10.653   4.019   4.233
  402    HB   THR  56           HB       THR  56   8.561   3.748   5.316
  403    HG1  THR  56           1HG      THR  56  10.143   2.008   5.509
  404   HG21  THR  56          3HG2      THR  56   7.664   2.028   2.999
  405   HG22  THR  56          1HG2      THR  56   7.113   3.671   3.329
  406   HG23  THR  56          2HG2      THR  56   6.743   2.372   4.462
  407    H    CYS  57           H        CYS  57   8.805   2.646   1.520
  408    HA   CYS  57           HA       CYS  57  10.446   0.298   1.419
  409    HB2  CYS  57           2HB      CYS  57   8.186   0.034   0.748
  410    HB3  CYS  57           1HB      CYS  57   8.273   1.391  -0.363
  411    H    VAL  58           H        VAL  58  10.013   3.010  -0.878
  412    HA   VAL  58           HA       VAL  58  11.870   1.948  -2.691
  413    HB   VAL  58           HB       VAL  58  10.624   4.676  -2.467
  414   HG11  VAL  58          1HG1      VAL  58  12.896   4.890  -3.455
  415   HG12  VAL  58          2HG1      VAL  58  11.592   5.296  -4.577
  416   HG13  VAL  58          3HG1      VAL  58  12.413   3.739  -4.705
  417   HG21  VAL  58          3HG2      VAL  58   9.444   3.955  -4.487
  418   HG22  VAL  58          1HG2      VAL  58   9.196   2.819  -3.161
  419   HG23  VAL  58          2HG2      VAL  58  10.326   2.427  -4.457
  420    H    THR  59           H        THR  59  12.373   4.156   0.072
  421    HA   THR  59           HA       THR  59  15.027   4.762  -0.844
  422    HB   THR  59           HB       THR  59  15.449   5.782   1.291
  423    HG1  THR  59           1HG      THR  59  12.855   5.226   2.208
  424   HG21  THR  59          3HG2      THR  59  12.669   6.484   0.364
  425   HG22  THR  59          1HG2      THR  59  14.154   6.997  -0.438
  426   HG23  THR  59          2HG2      THR  59  13.805   7.543   1.202
  427    H    ALA  60           H        ALA  60  13.726   2.725   1.719
  428    HA   ALA  60           HA       ALA  60  16.179   1.722   2.642
  429    HB1  ALA  60           1HB      ALA  60  14.119   1.605   3.946
  430    HB2  ALA  60           2HB      ALA  60  14.877   0.020   3.793
  431    HB3  ALA  60           3HB      ALA  60  13.469   0.423   2.809
  432    H    GLU  61           H        GLU  61  13.857   0.294   0.417
  433    HA   GLU  61           HA       GLU  61  13.980  -1.316  -1.157
  434    HB2  GLU  61           2HB      GLU  61  16.915  -0.665  -1.066
  435    HB3  GLU  61           1HB      GLU  61  16.130  -1.595  -2.337
  436    HG2  GLU  61           2HG      GLU  61  14.720   0.405  -2.812
  437    HG3  GLU  61           1HG      GLU  61  15.689   1.298  -1.645
  Start of MODEL    8
    1    H2   PRO   1           1HT      PRO   1  17.866  -1.379   8.247
    2    H3   PRO   1           2HT      PRO   1  17.906  -3.014   8.227
    3    HA   PRO   1           HA       PRO   1  15.938  -3.287   9.095
    4    HB2  PRO   1           2HB      PRO   1  15.380  -0.703  10.285
    5    HB3  PRO   1           1HB      PRO   1  15.374  -2.305  11.035
    6    HG2  PRO   1           2HG      PRO   1  17.518  -0.296  10.938
    7    HG3  PRO   1           1HG      PRO   1  17.302  -1.660  12.048
    8    HD2  PRO   1           2HD      PRO   1  19.241  -1.678  10.198
    9    HD3  PRO   1           1HD      PRO   1  18.358  -3.157  10.614
   10    H    ALA   2           H        ALA   2  15.628  -3.158   6.796
   11    HA   ALA   2           HA       ALA   2  13.797  -1.093   6.005
   12    HB1  ALA   2           1HB      ALA   2  16.463  -1.240   4.591
   13    HB2  ALA   2           2HB      ALA   2  15.925   0.077   5.633
   14    HB3  ALA   2           3HB      ALA   2  15.089  -0.243   4.113
   15    H    GLN   3           H        GLN   3  12.656  -1.651   4.103
   16    HA   GLN   3           HA       GLN   3  11.756  -2.972   2.518
   17    HB2  GLN   3           2HB      GLN   3  14.517  -3.129   2.193
   18    HB3  GLN   3           1HB      GLN   3  13.933  -4.785   2.079
   19    HG2  GLN   3           2HG      GLN   3  12.571  -2.594   0.604
   20    HG3  GLN   3           1HG      GLN   3  14.058  -3.303  -0.046
   21   HE21  GLN   3          1HE2      GLN   3  14.051  -5.446  -0.720
   22   HE22  GLN   3          2HE2      GLN   3  12.592  -6.317  -1.041
   23    H    ASP   4           H        ASP   4  12.697  -4.209   5.422
   24    HA   ASP   4           HA       ASP   4  12.631  -6.861   5.496
   25    HB2  ASP   4           2HB      ASP   4  11.595  -6.735   7.688
   26    HB3  ASP   4           1HB      ASP   4  12.766  -5.454   7.485
   27    H    TYR   5           H        TYR   5   9.523  -5.116   5.788
   28    HA   TYR   5           HA       TYR   5   8.367  -6.893   3.794
   29    HB2  TYR   5           2HB      TYR   5   7.261  -6.674   6.598
   30    HB3  TYR   5           1HB      TYR   5   6.314  -7.243   5.221
   31    HD1  TYR   5           2HD      TYR   5   7.097  -9.310   4.003
   32    HD2  TYR   5           1HD      TYR   5   8.697  -8.128   7.761
   33    HE1  TYR   5           2HE      TYR   5   7.958 -11.586   4.344
   34    HE2  TYR   5           1HE      TYR   5   9.567 -10.399   8.112
   35    HH   TYR   5           HH       TYR   5   9.130 -12.675   7.355
   36    H    ARG   6           H        ARG   6   8.643  -3.941   5.376
   37    HA   ARG   6           HA       ARG   6   6.115  -2.790   4.890
   38    HB2  ARG   6           2HB      ARG   6   7.210  -0.697   5.437
   39    HB3  ARG   6           1HB      ARG   6   7.736  -1.963   6.543
   40    HG2  ARG   6           2HG      ARG   6   9.717  -2.280   5.005
   41    HG3  ARG   6           1HG      ARG   6   9.222  -0.772   4.250
   42    HD2  ARG   6           2HD      ARG   6  10.834  -0.141   5.841
   43    HD3  ARG   6           1HD      ARG   6   9.287   0.215   6.612
   44    HE   ARG   6           HE       ARG   6  10.133  -2.423   7.234
   45   HH11  ARG   6          1HH1      ARG   6  10.763   0.935   8.050
   46   HH12  ARG   6          2HH1      ARG   6  11.415   0.556   9.620
   47   HH21  ARG   6          1HH2      ARG   6  10.955  -2.914   9.282
   48   HH22  ARG   6          2HH2      ARG   6  11.509  -1.638  10.328
   49    H    CYS   7           H        CYS   7   8.362  -3.786   2.723
   50    HA   CYS   7           HA       CYS   7   7.337  -1.958   0.673
   51    HB2  CYS   7           2HB      CYS   7   9.645  -1.353   1.294
   52    HB3  CYS   7           1HB      CYS   7  10.170  -2.990   0.931
   53    H    GLN   8           H        GLN   8   7.366  -5.080   1.751
   54    HA   GLN   8           HA       GLN   8   7.067  -6.091  -0.984
   55    HB2  GLN   8           2HB      GLN   8   8.178  -8.189  -0.416
   56    HB3  GLN   8           1HB      GLN   8   9.252  -6.809  -0.257
   57    HG2  GLN   8           2HG      GLN   8   8.910  -6.853   2.174
   58    HG3  GLN   8           1HG      GLN   8   7.893  -8.282   1.983
   59   HE21  GLN   8          1HE2      GLN   8  11.121  -7.014   1.776
   60   HE22  GLN   8          2HE2      GLN   8  11.939  -8.540   1.719
   61    H    LEU   9           H        LEU   9   5.607  -5.762   2.009
   62    HA   LEU   9           HA       LEU   9   3.921  -7.963   2.151
   63    HB2  LEU   9           2HB      LEU   9   3.385  -5.042   2.668
   64    HB3  LEU   9           1HB      LEU   9   2.200  -6.292   2.998
   65    HG   LEU   9           HG       LEU   9   4.940  -6.162   4.263
   66   HD11  LEU   9          1HD1      LEU   9   3.616  -4.291   5.018
   67   HD12  LEU   9          2HD1      LEU   9   3.709  -5.501   6.301
   68   HD13  LEU   9          3HD1      LEU   9   2.240  -5.350   5.334
   69   HD21  LEU   9          3HD2      LEU   9   2.536  -7.876   4.874
   70   HD22  LEU   9          1HD2      LEU   9   4.052  -7.858   5.776
   71   HD23  LEU   9          2HD2      LEU   9   4.027  -8.421   4.104
   72    H    SER  10           H        SER  10   1.700  -8.216   1.404
   73    HA   SER  10           HA       SER  10   1.505  -7.609  -1.414
   74    HB2  SER  10           2HB      SER  10  -0.537  -9.058  -1.257
   75    HB3  SER  10           1HB      SER  10   0.976  -9.843  -0.817
   76    HG   SER  10           HG       SER  10  -0.331 -10.379   0.819
   77    H    ARG  11           H        ARG  11  -0.417  -6.741  -2.371
   78    HA   ARG  11           HA       ARG  11  -0.775  -4.176  -1.400
   79    HB2  ARG  11           2HB      ARG  11  -2.571  -4.062  -3.203
   80    HB3  ARG  11           1HB      ARG  11  -0.885  -4.262  -3.657
   81    HG2  ARG  11           2HG      ARG  11  -1.292  -6.663  -3.840
   82    HG3  ARG  11           1HG      ARG  11  -3.006  -6.383  -3.533
   83    HD2  ARG  11           2HD      ARG  11  -2.923  -4.764  -5.475
   84    HD3  ARG  11           1HD      ARG  11  -1.329  -5.423  -5.824
   85    HE   ARG  11           HE       ARG  11  -3.328  -7.464  -5.604
   86   HH11  ARG  11          1HH1      ARG  11  -1.812  -5.207  -7.821
   87   HH12  ARG  11          2HH1      ARG  11  -2.526  -5.929  -9.230
   88   HH21  ARG  11          1HH2      ARG  11  -4.221  -8.432  -7.449
   89   HH22  ARG  11          2HH2      ARG  11  -3.874  -7.786  -9.028
   90    H    ASN  12           H        ASN  12  -2.867  -6.920  -1.133
   91    HA   ASN  12           HA       ASN  12  -5.246  -5.604  -0.485
   92    HB2  ASN  12           2HB      ASN  12  -4.286  -8.356   0.245
   93    HB3  ASN  12           1HB      ASN  12  -5.898  -7.778   0.543
   94   HD21  ASN  12          1HD2      ASN  12  -4.985  -9.996  -1.099
   95   HD22  ASN  12          2HD2      ASN  12  -5.628  -9.704  -2.681
   96    H    TYR  13           H        TYR  13  -6.342  -5.834   1.607
   97    HA   TYR  13           HA       TYR  13  -5.240  -5.958   4.098
   98    HB2  TYR  13           2HB      TYR  13  -3.710  -4.180   3.228
   99    HB3  TYR  13           1HB      TYR  13  -5.101  -3.127   3.073
  100    HD1  TYR  13           2HD      TYR  13  -3.780  -5.395   5.746
  101    HD2  TYR  13           1HD      TYR  13  -5.232  -1.531   4.728
  102    HE1  TYR  13           2HE      TYR  13  -3.557  -4.699   8.090
  103    HE2  TYR  13           1HE      TYR  13  -5.013  -0.827   7.073
  104    HH   TYR  13           HH       TYR  13  -4.964  -1.867   9.302
  105    H    GLY  14           H        GLY  14  -7.000  -3.523   2.287
  106    HA2  GLY  14           2HA      GLY  14  -8.908  -3.096   4.381
  107    HA3  GLY  14           1HA      GLY  14  -8.935  -2.368   2.784
  108    H    LYS  15           H        LYS  15 -10.742  -4.066   4.748
  109    HA   LYS  15           HA       LYS  15 -11.682  -6.119   2.951
  110    HB2  LYS  15           2HB      LYS  15 -13.472  -6.019   5.025
  111    HB3  LYS  15           1HB      LYS  15 -12.069  -7.063   4.933
  112    HG2  LYS  15           2HG      LYS  15 -10.753  -5.484   6.152
  113    HG3  LYS  15           1HG      LYS  15 -12.079  -4.326   6.160
  114    HD2  LYS  15           2HD      LYS  15 -12.248  -7.064   7.411
  115    HD3  LYS  15           1HD      LYS  15 -11.794  -5.608   8.301
  116    HE2  LYS  15           2HE      LYS  15 -13.934  -4.585   7.763
  117    HE3  LYS  15           1HE      LYS  15 -14.384  -5.992   6.800
  118    HZ1  LYS  15           3HZ      LYS  15 -13.813  -6.073   9.715
  119    HZ2  LYS  15           1HZ      LYS  15 -14.417  -7.338   8.759
  120    HZ3  LYS  15           2HZ      LYS  15 -15.370  -5.963   9.047
  121    H    GLY  16           H        GLY  16 -13.446  -3.821   4.866
  122    HA2  GLY  16           2HA      GLY  16 -14.941  -2.734   2.698
  123    HA3  GLY  16           1HA      GLY  16 -15.850  -3.924   3.614
  124    H    SER  17           H        SER  17 -14.530  -0.763   3.570
  125    HA   SER  17           HA       SER  17 -15.860  -0.195   6.125
  126    HB2  SER  17           2HB      SER  17 -14.264   1.763   6.278
  127    HB3  SER  17           1HB      SER  17 -13.517   0.174   6.432
  128    HG   SER  17           HG       SER  17 -12.700   1.965   4.841
  129    H    GLY  18           H        GLY  18 -14.780   1.520   3.277
  130    HA2  GLY  18           2HA      GLY  18 -17.256   2.321   2.356
  131    HA3  GLY  18           1HA      GLY  18 -16.691   3.570   3.461
  132    H    SER  19           H        SER  19 -16.500   2.319   0.344
  133    HA   SER  19           HA       SER  19 -14.028   2.583  -0.622
  134    HB2  SER  19           2HB      SER  19 -15.082   3.498  -2.744
  135    HB3  SER  19           1HB      SER  19 -15.673   1.952  -2.139
  136    HG   SER  19           HG       SER  19 -16.966   4.307  -1.307
  137    H    PHE  20           H        PHE  20 -12.513   3.928  -0.452
  138    HA   PHE  20           HA       PHE  20 -13.010   6.834  -0.507
  139    HB2  PHE  20           2HB      PHE  20 -11.981   5.315   1.614
  140    HB3  PHE  20           1HB      PHE  20 -10.570   6.032   0.856
  141    HD1  PHE  20           1HD      PHE  20 -10.295   8.464   0.786
  142    HD2  PHE  20           2HD      PHE  20 -13.563   6.641   2.811
  143    HE1  PHE  20           1HE      PHE  20 -10.723  10.569   1.986
  144    HE2  PHE  20           2HE      PHE  20 -13.998   8.743   4.013
  145    HZ   PHE  20           HZ       PHE  20 -12.577  10.712   3.599
  146    H    THR  21           H        THR  21 -10.089   7.236  -0.389
  147    HA   THR  21           HA       THR  21  -9.016   5.703  -2.617
  148    HB   THR  21           HB       THR  21  -8.930   8.707  -2.747
  149    HG1  THR  21           1HG      THR  21 -10.832   6.898  -3.659
  150   HG21  THR  21          3HG2      THR  21  -8.302   8.063  -5.165
  151   HG22  THR  21          1HG2      THR  21  -7.992   6.463  -4.490
  152   HG23  THR  21          2HG2      THR  21  -7.090   7.860  -3.900
  153    H    ASN  22           H        ASN  22  -7.429   4.907  -1.523
  154    HA   ASN  22           HA       ASN  22  -5.400   6.768  -0.491
  155    HB2  ASN  22           2HB      ASN  22  -6.624   4.410   0.838
  156    HB3  ASN  22           1HB      ASN  22  -4.869   4.517   0.935
  157   HD21  ASN  22          1HD2      ASN  22  -6.788   7.416   0.735
  158   HD22  ASN  22          2HD2      ASN  22  -6.545   7.917   2.380
  159    H    TYR  23           H        TYR  23  -3.245   5.306  -0.362
  160    HA   TYR  23           HA       TYR  23  -3.071   4.252  -3.094
  161    HB2  TYR  23           2HB      TYR  23  -0.914   5.296  -1.235
  162    HB3  TYR  23           1HB      TYR  23  -0.604   4.608  -2.824
  163    HD1  TYR  23           1HD      TYR  23  -2.663   7.279  -1.231
  164    HD2  TYR  23           2HD      TYR  23  -0.395   6.065  -4.609
  165    HE1  TYR  23           1HE      TYR  23  -2.947   9.516  -2.214
  166    HE2  TYR  23           2HE      TYR  23  -0.675   8.295  -5.607
  167    HH   TYR  23           HH       TYR  23  -2.223  10.205  -5.449
  168    H    TYR  24           H        TYR  24  -1.735   2.377  -3.461
  169    HA   TYR  24           HA       TYR  24  -0.937   0.813  -1.142
  170    HB2  TYR  24           2HB      TYR  24  -2.091  -1.167  -1.756
  171    HB3  TYR  24           1HB      TYR  24  -3.295   0.109  -1.855
  172    HD1  TYR  24           2HD      TYR  24  -4.010   0.953  -4.115
  173    HD2  TYR  24           1HD      TYR  24  -1.465  -2.429  -3.672
  174    HE1  TYR  24           2HE      TYR  24  -4.509   0.264  -6.425
  175    HE2  TYR  24           1HE      TYR  24  -1.943  -3.123  -5.937
  176    HH   TYR  24           HH       TYR  24  -3.876  -2.770  -7.610
  177    H    TYR  25           H        TYR  25   0.838  -0.500  -1.588
  178    HA   TYR  25           HA       TYR  25   2.200   0.213  -4.043
  179    HB2  TYR  25           2HB      TYR  25   3.449   0.361  -1.954
  180    HB3  TYR  25           1HB      TYR  25   3.154  -1.339  -1.647
  181    HD1  TYR  25           2HD      TYR  25   5.064   1.063  -3.630
  182    HD2  TYR  25           1HD      TYR  25   4.401  -3.059  -2.836
  183    HE1  TYR  25           2HE      TYR  25   7.139   0.502  -4.830
  184    HE2  TYR  25           1HE      TYR  25   6.468  -3.630  -4.027
  185    HH   TYR  25           HH       TYR  25   8.804  -1.325  -4.904
  186    H    ASP  26           H        ASP  26   1.998  -0.944  -5.768
  187    HA   ASP  26           HA       ASP  26   1.347  -3.793  -5.530
  188    HB2  ASP  26           2HB      ASP  26  -0.208  -2.529  -6.896
  189    HB3  ASP  26           1HB      ASP  26   1.117  -1.896  -7.867
  190    H    LYS  27           H        LYS  27   2.851  -5.275  -5.996
  191    HA   LYS  27           HA       LYS  27   5.458  -4.315  -6.741
  192    HB2  LYS  27           2HB      LYS  27   5.587  -7.103  -6.527
  193    HB3  LYS  27           1HB      LYS  27   6.088  -5.907  -5.334
  194    HG2  LYS  27           2HG      LYS  27   3.503  -5.909  -4.834
  195    HG3  LYS  27           1HG      LYS  27   3.639  -7.552  -5.464
  196    HD2  LYS  27           2HD      LYS  27   3.914  -7.638  -3.084
  197    HD3  LYS  27           1HD      LYS  27   5.488  -7.940  -3.826
  198    HE2  LYS  27           2HE      LYS  27   4.744  -5.151  -3.103
  199    HE3  LYS  27           1HE      LYS  27   5.223  -6.256  -1.813
  200    HZ1  LYS  27           3HZ      LYS  27   6.844  -5.464  -4.177
  201    HZ2  LYS  27           1HZ      LYS  27   7.296  -6.678  -3.087
  202    HZ3  LYS  27           2HZ      LYS  27   7.144  -5.073  -2.561
  203    H    ALA  28           H        ALA  28   2.901  -5.092  -8.579
  204    HA   ALA  28           HA       ALA  28   4.455  -6.434 -10.655
  205    HB1  ALA  28           1HB      ALA  28   1.578  -5.513 -10.690
  206    HB2  ALA  28           2HB      ALA  28   2.131  -7.145 -10.317
  207    HB3  ALA  28           3HB      ALA  28   2.372  -6.480 -11.933
  208    H    THR  29           H        THR  29   3.580  -3.336  -9.589
  209    HA   THR  29           HA       THR  29   4.581  -2.160 -12.098
  210    HB   THR  29           HB       THR  29   2.328  -1.387 -11.628
  211    HG1  THR  29           1HG      THR  29   4.305   0.591 -11.035
  212   HG21  THR  29          3HG2      THR  29   3.398  -0.467  -8.960
  213   HG22  THR  29          1HG2      THR  29   2.268  -1.796  -9.224
  214   HG23  THR  29          2HG2      THR  29   1.784  -0.140  -9.592
  215    H    SER  30           H        SER  30   5.342  -2.886  -8.962
  216    HA   SER  30           HA       SER  30   6.987  -2.378  -7.513
  217    HB2  SER  30           2HB      SER  30   8.276  -1.243  -9.993
  218    HB3  SER  30           1HB      SER  30   9.118  -1.640  -8.493
  219    HG   SER  30           HG       SER  30   8.007  -3.325 -10.441
  220    H    SER  31           H        SER  31   4.857  -0.549  -7.670
  221    HA   SER  31           HA       SER  31   5.980   1.643  -6.259
  222    HB2  SER  31           2HB      SER  31   4.911   3.357  -7.898
  223    HB3  SER  31           1HB      SER  31   6.502   2.698  -8.270
  224    HG   SER  31           HG       SER  31   5.339   2.481 -10.124
  225    H    CYS  32           H        CYS  32   4.005   3.418  -6.144
  226    HA   CYS  32           HA       CYS  32   1.868   1.741  -5.058
  227    HB2  CYS  32           2HB      CYS  32   3.157   4.203  -4.165
  228    HB3  CYS  32           1HB      CYS  32   1.391   4.259  -4.086
  229    H    LYS  33           H        LYS  33  -0.046   1.717  -5.844
  230    HA   LYS  33           HA       LYS  33  -0.978   3.835  -7.667
  231    HB2  LYS  33           2HB      LYS  33  -0.915   1.571  -8.639
  232    HB3  LYS  33           1HB      LYS  33  -1.903   0.959  -7.339
  233    HG2  LYS  33           2HG      LYS  33  -3.254   1.155  -9.276
  234    HG3  LYS  33           1HG      LYS  33  -3.743   2.421  -8.156
  235    HD2  LYS  33           2HD      LYS  33  -1.802   2.923 -10.392
  236    HD3  LYS  33           1HD      LYS  33  -3.542   3.060 -10.614
  237    HE2  LYS  33           2HE      LYS  33  -3.435   4.626  -8.582
  238    HE3  LYS  33           1HE      LYS  33  -1.708   4.691  -8.900
  239    HZ1  LYS  33           3HZ      LYS  33  -3.815   5.388 -10.875
  240    HZ2  LYS  33           1HZ      LYS  33  -2.139   5.542 -11.093
  241    HZ3  LYS  33           2HZ      LYS  33  -2.938   6.512  -9.956
  242    H    THR  34           H        THR  34  -3.702   3.498  -7.382
  243    HA   THR  34           HA       THR  34  -4.092   3.957  -4.513
  244    HB   THR  34           HB       THR  34  -6.055   5.437  -5.295
  245    HG1  THR  34           1HG      THR  34  -4.733   6.487  -7.343
  246   HG21  THR  34          3HG2      THR  34  -3.202   6.371  -5.486
  247   HG22  THR  34          1HG2      THR  34  -4.157   6.207  -4.007
  248   HG23  THR  34          2HG2      THR  34  -4.613   7.401  -5.229
  249    H    PHE  35           H        PHE  35  -6.375   3.752  -3.799
  250    HA   PHE  35           HA       PHE  35  -8.135   2.068  -5.261
  251    HB2  PHE  35           2HB      PHE  35  -7.878   0.002  -4.139
  252    HB3  PHE  35           1HB      PHE  35  -6.261   0.470  -4.630
  253    HD1  PHE  35           1HD      PHE  35  -5.743   2.458  -2.319
  254    HD2  PHE  35           2HD      PHE  35  -7.346  -1.491  -2.456
  255    HE1  PHE  35           1HE      PHE  35  -4.976   2.051  -0.012
  256    HE2  PHE  35           2HE      PHE  35  -6.580  -1.887  -0.155
  257    HZ   PHE  35           HZ       PHE  35  -5.390  -0.114   1.067
  258    H    ARG  36           H        ARG  36  -9.921   1.402  -3.976
  259    HA   ARG  36           HA       ARG  36 -10.939   3.597  -2.526
  260    HB2  ARG  36           2HB      ARG  36 -11.845   0.771  -2.996
  261    HB3  ARG  36           1HB      ARG  36 -12.862   1.979  -2.225
  262    HG2  ARG  36           2HG      ARG  36 -11.761   2.146  -5.024
  263    HG3  ARG  36           1HG      ARG  36 -13.405   1.665  -4.597
  264    HD2  ARG  36           2HD      ARG  36 -13.731   3.869  -3.533
  265    HD3  ARG  36           1HD      ARG  36 -12.118   4.336  -4.071
  266    HE   ARG  36           HE       ARG  36 -13.334   3.579  -6.371
  267   HH11  ARG  36          1HH1      ARG  36 -14.166   5.834  -3.823
  268   HH12  ARG  36          2HH1      ARG  36 -15.087   6.879  -4.862
  269   HH21  ARG  36          1HH2      ARG  36 -14.545   4.942  -7.746
  270   HH22  ARG  36          2HH2      ARG  36 -15.292   6.377  -7.103
  271    H    TYR  37           H        TYR  37  -9.124   0.894  -1.688
  272    HA   TYR  37           HA       TYR  37  -8.334   0.016   0.221
  273    HB2  TYR  37           2HB      TYR  37  -8.159   2.128   1.320
  274    HB3  TYR  37           1HB      TYR  37  -9.908   2.228   1.539
  275    HD1  TYR  37           1HD      TYR  37  -6.949   0.189   2.539
  276    HD2  TYR  37           2HD      TYR  37 -10.848   1.546   3.553
  277    HE1  TYR  37           1HE      TYR  37  -6.724  -0.838   4.760
  278    HE2  TYR  37           2HE      TYR  37 -10.633   0.526   5.777
  279    HH   TYR  37           HH       TYR  37  -9.357  -1.294   6.841
  280    H    ARG  38           H        ARG  38 -11.502   0.167  -0.673
  281    HA   ARG  38           HA       ARG  38 -12.339  -1.911   1.221
  282    HB2  ARG  38           2HB      ARG  38 -13.659   0.300   0.981
  283    HB3  ARG  38           1HB      ARG  38 -14.183  -0.334  -0.570
  284    HG2  ARG  38           2HG      ARG  38 -14.565  -1.882   1.986
  285    HG3  ARG  38           1HG      ARG  38 -15.727  -0.661   1.428
  286    HD2  ARG  38           2HD      ARG  38 -15.980  -1.899  -0.688
  287    HD3  ARG  38           1HD      ARG  38 -14.863  -3.124  -0.089
  288    HE   ARG  38           HE       ARG  38 -17.352  -2.549   1.373
  289   HH11  ARG  38          1HH1      ARG  38 -15.265  -4.760  -0.350
  290   HH12  ARG  38          2HH1      ARG  38 -16.237  -6.157  -0.017
  291   HH21  ARG  38          1HH2      ARG  38 -18.653  -4.378   1.820
  292   HH22  ARG  38          2HH2      ARG  38 -18.163  -5.942   1.237
  293    H    GLY  39           H        GLY  39 -10.941  -3.266  -0.149
  294    HA2  GLY  39           2HA      GLY  39 -12.117  -3.975  -2.738
  295    HA3  GLY  39           1HA      GLY  39 -10.533  -4.468  -2.154
  296    H    SER  40           H        SER  40 -10.328  -6.436  -1.298
  297    HA   SER  40           HA       SER  40 -12.762  -7.871  -0.539
  298    HB2  SER  40           2HB      SER  40 -10.450  -8.951  -2.158
  299    HB3  SER  40           1HB      SER  40 -11.887  -9.829  -1.681
  300    HG   SER  40           HG       SER  40 -12.045  -7.460  -3.205
  301    H    GLY  41           H        GLY  41 -10.670  -6.530   1.054
  302    HA2  GLY  41           2HA      GLY  41 -10.056  -7.059   3.221
  303    HA3  GLY  41           1HA      GLY  41 -10.326  -8.758   2.877
  304    H    GLY  42           H        GLY  42  -8.443  -9.653   3.516
  305    HA2  GLY  42           2HA      GLY  42  -6.324 -10.451   2.802
  306    HA3  GLY  42           1HA      GLY  42  -6.080  -8.949   1.922
  307    H    ASN  43           H        ASN  43  -3.954  -9.043   3.004
  308    HA   ASN  43           HA       ASN  43  -4.037  -7.422   5.395
  309    HB2  ASN  43           2HB      ASN  43  -4.050  -9.746   6.285
  310    HB3  ASN  43           1HB      ASN  43  -2.539 -10.048   5.432
  311   HD21  ASN  43          1HD2      ASN  43  -1.406 -10.469   7.314
  312   HD22  ASN  43          2HD2      ASN  43  -0.980  -9.215   8.438
  313    H    GLY  44           H        GLY  44  -2.569  -5.909   5.219
  314    HA2  GLY  44           2HA      GLY  44   0.072  -6.275   4.259
  315    HA3  GLY  44           1HA      GLY  44  -0.941  -5.557   3.010
  316    H    ASN  45           H        ASN  45  -1.143  -3.396   3.016
  317    HA   ASN  45           HA       ASN  45  -1.230  -1.900   5.466
  318    HB2  ASN  45           2HB      ASN  45   1.233  -2.279   5.133
  319    HB3  ASN  45           1HB      ASN  45   1.113  -1.391   3.617
  320   HD21  ASN  45          1HD2      ASN  45   1.090  -1.190   7.068
  321   HD22  ASN  45          2HD2      ASN  45   1.210   0.530   7.178
  322    H    ARG  46           H        ARG  46  -2.238   0.023   5.197
  323    HA   ARG  46           HA       ARG  46  -3.011   0.772   2.468
  324    HB2  ARG  46           2HB      ARG  46  -4.906   0.611   3.893
  325    HB3  ARG  46           1HB      ARG  46  -4.104   1.494   5.188
  326    HG2  ARG  46           2HG      ARG  46  -4.133   3.514   3.733
  327    HG3  ARG  46           1HG      ARG  46  -5.079   2.597   2.562
  328    HD2  ARG  46           2HD      ARG  46  -6.505   3.990   3.974
  329    HD3  ARG  46           1HD      ARG  46  -6.839   2.275   4.207
  330    HE   ARG  46           HE       ARG  46  -4.974   3.025   6.136
  331   HH11  ARG  46          1HH1      ARG  46  -8.279   3.825   5.277
  332   HH12  ARG  46          2HH1      ARG  46  -8.766   4.097   6.923
  333   HH21  ARG  46          1HH2      ARG  46  -5.610   3.421   8.290
  334   HH22  ARG  46          2HH2      ARG  46  -7.244   3.911   8.635
  335    H    PHE  47           H        PHE  47  -2.038   2.419   1.482
  336    HA   PHE  47           HA       PHE  47  -0.247   4.109   3.089
  337    HB2  PHE  47           2HB      PHE  47  -0.357   3.542   0.119
  338    HB3  PHE  47           1HB      PHE  47   0.736   4.713   0.849
  339    HD1  PHE  47           1HD      PHE  47   2.193   3.809   2.794
  340    HD2  PHE  47           2HD      PHE  47   0.368   1.371  -0.168
  341    HE1  PHE  47           1HE      PHE  47   3.816   2.040   3.266
  342    HE2  PHE  47           2HE      PHE  47   1.999  -0.417   0.294
  343    HZ   PHE  47           HZ       PHE  47   3.729  -0.084   2.014
  344    H    LYS  48           H        LYS  48  -0.557   6.284   3.248
  345    HA   LYS  48           HA       LYS  48  -3.114   7.314   2.369
  346    HB2  LYS  48           2HB      LYS  48  -0.932   8.295   4.133
  347    HB3  LYS  48           1HB      LYS  48  -1.983   9.487   3.393
  348    HG2  LYS  48           2HG      LYS  48  -2.639   8.717   5.692
  349    HG3  LYS  48           1HG      LYS  48  -3.894   8.640   4.459
  350    HD2  LYS  48           2HD      LYS  48  -3.460   6.245   4.177
  351    HD3  LYS  48           1HD      LYS  48  -2.217   6.329   5.426
  352    HE2  LYS  48           2HE      LYS  48  -4.403   5.475   6.245
  353    HE3  LYS  48           1HE      LYS  48  -3.845   6.921   7.088
  354    HZ1  LYS  48           3HZ      LYS  48  -5.820   6.910   4.869
  355    HZ2  LYS  48           1HZ      LYS  48  -5.334   8.255   5.775
  356    HZ3  LYS  48           2HZ      LYS  48  -6.215   7.015   6.517
  357    H    THR  49           H        THR  49   0.271   7.867   1.641
  358    HA   THR  49           HA       THR  49  -0.549   9.111  -0.882
  359    HB   THR  49           HB       THR  49   1.305  10.737  -0.695
  360    HG1  THR  49           1HG      THR  49   1.770  10.809   1.879
  361   HG21  THR  49          3HG2      THR  49   0.274  12.209   1.003
  362   HG22  THR  49          1HG2      THR  49  -0.681  10.840   1.577
  363   HG23  THR  49          2HG2      THR  49  -0.923  11.465  -0.057
  364    H    LEU  50           H        LEU  50   1.006   8.806  -2.593
  365    HA   LEU  50           HA       LEU  50   2.415   6.346  -2.356
  366    HB2  LEU  50           2HB      LEU  50   1.726   6.428  -4.491
  367    HB3  LEU  50           1HB      LEU  50   1.606   8.170  -4.482
  368    HG   LEU  50           HG       LEU  50   3.052   7.299  -6.256
  369   HD11  LEU  50          1HD1      LEU  50   4.109   9.139  -4.182
  370   HD12  LEU  50          2HD1      LEU  50   3.558   9.472  -5.828
  371   HD13  LEU  50          3HD1      LEU  50   5.126   8.709  -5.561
  372   HD21  LEU  50          3HD2      LEU  50   3.955   5.343  -5.022
  373   HD22  LEU  50          1HD2      LEU  50   4.985   6.440  -4.095
  374   HD23  LEU  50          2HD2      LEU  50   5.185   6.299  -5.846
  375    H    GLU  51           H        GLU  51   3.173   9.651  -1.933
  376    HA   GLU  51           HA       GLU  51   5.987   9.388  -2.228
  377    HB2  GLU  51           2HB      GLU  51   6.112  11.594  -1.127
  378    HB3  GLU  51           1HB      GLU  51   4.940  11.571  -2.437
  379    HG2  GLU  51           2HG      GLU  51   3.127  11.376  -0.843
  380    HG3  GLU  51           1HG      GLU  51   4.280  11.321   0.488
  381    H    ASP  52           H        ASP  52   3.762   9.040   0.443
  382    HA   ASP  52           HA       ASP  52   5.693   8.620   2.502
  383    HB2  ASP  52           2HB      ASP  52   3.300   9.086   2.968
  384    HB3  ASP  52           1HB      ASP  52   2.856   7.575   2.201
  385    H    CYS  53           H        CYS  53   3.734   6.522   0.535
  386    HA   CYS  53           HA       CYS  53   4.703   4.030   1.162
  387    HB2  CYS  53           2HB      CYS  53   2.800   4.182  -0.182
  388    HB3  CYS  53           1HB      CYS  53   3.581   5.264  -1.327
  389    H    GLU  54           H        GLU  54   5.826   6.109  -1.531
  390    HA   GLU  54           HA       GLU  54   7.890   4.325  -2.297
  391    HB2  GLU  54           2HB      GLU  54   8.608   5.986  -3.818
  392    HB3  GLU  54           1HB      GLU  54   6.867   6.113  -3.771
  393    HG2  GLU  54           2HG      GLU  54   6.988   8.081  -2.417
  394    HG3  GLU  54           1HG      GLU  54   8.722   7.876  -2.197
  395    H    ALA  55           H        ALA  55   7.650   6.858   0.034
  396    HA   ALA  55           HA       ALA  55  10.318   7.495   0.305
  397    HB1  ALA  55           1HB      ALA  55   8.082   7.447   2.322
  398    HB2  ALA  55           2HB      ALA  55   8.788   8.838   1.496
  399    HB3  ALA  55           3HB      ALA  55   9.711   7.988   2.735
  400    H    THR  56           H        THR  56   8.487   5.203   2.311
  401    HA   THR  56           HA       THR  56  10.869   4.122   3.417
  402    HB   THR  56           HB       THR  56   8.866   4.090   4.747
  403    HG1  THR  56           1HG      THR  56   9.806   2.388   5.561
  404   HG21  THR  56          3HG2      THR  56   7.717   2.208   2.682
  405   HG22  THR  56          1HG2      THR  56   7.198   3.867   2.979
  406   HG23  THR  56          2HG2      THR  56   6.963   2.634   4.218
  407    H    CYS  57           H        CYS  57   8.703   3.028   0.850
  408    HA   CYS  57           HA       CYS  57   9.972   0.436   0.723
  409    HB2  CYS  57           2HB      CYS  57   7.576   0.652   0.344
  410    HB3  CYS  57           1HB      CYS  57   7.861   1.726  -1.015
  411    H    VAL  58           H        VAL  58   9.739   3.241  -1.484
  412    HA   VAL  58           HA       VAL  58  11.331   1.996  -3.460
  413    HB   VAL  58           HB       VAL  58  10.335   4.810  -3.115
  414   HG11  VAL  58          1HG1      VAL  58  11.368   5.451  -5.215
  415   HG12  VAL  58          2HG1      VAL  58  12.138   3.870  -5.350
  416   HG13  VAL  58          3HG1      VAL  58  12.617   4.976  -4.059
  417   HG21  VAL  58          3HG2      VAL  58   9.914   2.688  -5.226
  418   HG22  VAL  58          1HG2      VAL  58   9.168   4.287  -5.212
  419   HG23  VAL  58          2HG2      VAL  58   8.784   3.123  -3.944
  420    H    THR  59           H        THR  59  12.186   4.187  -0.746
  421    HA   THR  59           HA       THR  59  14.875   4.484  -1.614
  422    HB   THR  59           HB       THR  59  15.441   5.064   0.680
  423    HG1  THR  59           1HG      THR  59  12.806   4.960   1.551
  424   HG21  THR  59          3HG2      THR  59  12.872   6.383  -0.175
  425   HG22  THR  59          1HG2      THR  59  14.455   6.727  -0.871
  426   HG23  THR  59          2HG2      THR  59  14.143   7.087   0.828
  427    H    ALA  60           H        ALA  60  13.280   2.224   0.519
  428    HA   ALA  60           HA       ALA  60  15.490   0.702   1.293
  429    HB1  ALA  60           1HB      ALA  60  13.267   0.558   2.334
  430    HB2  ALA  60           2HB      ALA  60  13.922  -1.023   1.904
  431    HB3  ALA  60           3HB      ALA  60  12.673  -0.283   0.902
  432    H    GLU  61           H        GLU  61  13.877   0.849  -1.723
  433    HA   GLU  61           HA       GLU  61  14.286  -0.053  -3.739
  434    HB2  GLU  61           2HB      GLU  61  16.718  -1.164  -2.360
  435    HB3  GLU  61           1HB      GLU  61  16.462  -1.170  -4.102
  436    HG2  GLU  61           2HG      GLU  61  16.438   1.259  -4.112
  437    HG3  GLU  61           1HG      GLU  61  16.625   1.281  -2.363
  Start of MODEL    9
    1    H2   PRO   1           1HT      PRO   1  17.102  -7.442   1.572
    2    H3   PRO   1           2HT      PRO   1  18.245  -6.694   2.478
    3    HA   PRO   1           HA       PRO   1  18.018  -4.735   1.511
    4    HB2  PRO   1           2HB      PRO   1  16.381  -5.547  -0.784
    5    HB3  PRO   1           1HB      PRO   1  17.780  -4.467  -0.721
    6    HG2  PRO   1           2HG      PRO   1  17.701  -7.305  -1.338
    7    HG3  PRO   1           1HG      PRO   1  19.054  -6.171  -1.483
    8    HD2  PRO   1           2HD      PRO   1  19.030  -8.189   0.334
    9    HD3  PRO   1           1HD      PRO   1  19.844  -6.642   0.636
   10    H    ALA   2           H        ALA   2  15.848  -3.496   0.857
   11    HA   ALA   2           HA       ALA   2  13.769  -2.860   1.485
   12    HB1  ALA   2           1HB      ALA   2  13.009  -4.956   0.464
   13    HB2  ALA   2           2HB      ALA   2  12.021  -4.492   1.848
   14    HB3  ALA   2           3HB      ALA   2  13.217  -5.777   2.010
   15    H    GLN   3           H        GLN   3  12.634  -2.208   3.319
   16    HA   GLN   3           HA       GLN   3  14.118  -2.145   5.717
   17    HB2  GLN   3           2HB      GLN   3  11.210  -1.486   5.347
   18    HB3  GLN   3           1HB      GLN   3  12.222  -0.966   6.678
   19    HG2  GLN   3           2HG      GLN   3  12.601  -0.183   3.802
   20    HG3  GLN   3           1HG      GLN   3  11.795   0.797   5.026
   21   HE21  GLN   3          1HE2      GLN   3  13.003   1.788   6.627
   22   HE22  GLN   3          2HE2      GLN   3  14.727   1.948   6.526
   23    H    ASP   4           H        ASP   4  11.051  -3.618   4.950
   24    HA   ASP   4           HA       ASP   4  11.339  -5.771   6.810
   25    HB2  ASP   4           2HB      ASP   4  10.799  -3.994   8.353
   26    HB3  ASP   4           1HB      ASP   4   9.461  -3.466   7.365
   27    H    TYR   5           H        TYR   5   8.830  -6.647   7.023
   28    HA   TYR   5           HA       TYR   5   8.065  -7.387   4.390
   29    HB2  TYR   5           2HB      TYR   5   6.751  -7.698   7.078
   30    HB3  TYR   5           1HB      TYR   5   5.933  -8.180   5.594
   31    HD1  TYR   5           2HD      TYR   5   6.698 -10.075   4.305
   32    HD2  TYR   5           1HD      TYR   5   8.704  -8.930   7.879
   33    HE1  TYR   5           2HE      TYR   5   7.863 -12.237   4.340
   34    HE2  TYR   5           1HE      TYR   5   9.878 -11.091   7.917
   35    HH   TYR   5           HH       TYR   5   9.873 -13.242   5.260
   36    H    ARG   6           H        ARG   6   7.351  -4.674   6.370
   37    HA   ARG   6           HA       ARG   6   4.953  -3.838   5.140
   38    HB2  ARG   6           2HB      ARG   6   5.392  -1.675   6.133
   39    HB3  ARG   6           1HB      ARG   6   5.752  -2.954   7.286
   40    HG2  ARG   6           2HG      ARG   6   8.142  -2.752   6.697
   41    HG3  ARG   6           1HG      ARG   6   7.718  -1.396   5.657
   42    HD2  ARG   6           2HD      ARG   6   8.501  -0.540   7.771
   43    HD3  ARG   6           1HD      ARG   6   6.767  -0.238   7.638
   44    HE   ARG   6           HE       ARG   6   7.016  -2.661   8.938
   45   HH11  ARG   6          1HH1      ARG   6   7.957   0.667   9.540
   46   HH12  ARG   6          2HH1      ARG   6   7.960   0.471  11.271
   47   HH21  ARG   6          1HH2      ARG   6   7.024  -2.902  11.186
   48   HH22  ARG   6          2HH2      ARG   6   7.428  -1.551  12.204
   49    H    CYS   7           H        CYS   7   8.059  -4.080   3.892
   50    HA   CYS   7           HA       CYS   7   7.513  -2.123   1.769
   51    HB2  CYS   7           2HB      CYS   7   9.780  -2.097   2.836
   52    HB3  CYS   7           1HB      CYS   7  10.027  -3.744   2.265
   53    H    GLN   8           H        GLN   8   6.167  -4.762   2.255
   54    HA   GLN   8           HA       GLN   8   5.996  -5.468  -0.493
   55    HB2  GLN   8           2HB      GLN   8   6.445  -7.955  -0.048
   56    HB3  GLN   8           1HB      GLN   8   7.829  -6.891  -0.230
   57    HG2  GLN   8           2HG      GLN   8   8.126  -6.830   2.178
   58    HG3  GLN   8           1HG      GLN   8   6.701  -7.845   2.394
   59   HE21  GLN   8          1HE2      GLN   8  10.014  -7.735   1.356
   60   HE22  GLN   8          2HE2      GLN   8  10.265  -9.447   1.310
   61    H    LEU   9           H        LEU   9   5.359  -7.662   2.193
   62    HA   LEU   9           HA       LEU   9   3.437  -8.628   2.934
   63    HB2  LEU   9           2HB      LEU   9   2.579  -5.759   2.603
   64    HB3  LEU   9           1HB      LEU   9   1.518  -6.975   3.284
   65    HG   LEU   9           HG       LEU   9   4.186  -6.150   4.426
   66   HD11  LEU   9          1HD1      LEU   9   2.493  -4.409   4.636
   67   HD12  LEU   9          2HD1      LEU   9   2.866  -5.127   6.201
   68   HD13  LEU   9          3HD1      LEU   9   1.381  -5.570   5.359
   69   HD21  LEU   9          3HD2      LEU   9   2.071  -8.005   5.513
   70   HD22  LEU   9          1HD2      LEU   9   3.549  -7.513   6.341
   71   HD23  LEU   9          2HD2      LEU   9   3.641  -8.492   4.876
   72    H    SER  10           H        SER  10   0.783  -8.212   2.379
   73    HA   SER  10           HA       SER  10   0.573  -8.689  -0.509
   74    HB2  SER  10           2HB      SER  10  -1.520  -9.889   0.051
   75    HB3  SER  10           1HB      SER  10  -0.091 -10.636   0.759
   76    HG   SER  10           HG       SER  10  -1.887  -8.882   2.106
   77    H    ARG  11           H        ARG  11  -0.458  -7.177  -1.637
   78    HA   ARG  11           HA       ARG  11  -1.704  -4.936  -0.341
   79    HB2  ARG  11           2HB      ARG  11  -2.338  -4.273  -2.676
   80    HB3  ARG  11           1HB      ARG  11  -0.615  -4.424  -2.386
   81    HG2  ARG  11           2HG      ARG  11  -1.717  -6.882  -3.283
   82    HG3  ARG  11           1HG      ARG  11  -2.106  -5.584  -4.413
   83    HD2  ARG  11           2HD      ARG  11   0.335  -4.914  -4.259
   84    HD3  ARG  11           1HD      ARG  11   0.611  -6.445  -3.441
   85    HE   ARG  11           HE       ARG  11  -0.562  -6.367  -6.136
   86   HH11  ARG  11          1HH1      ARG  11   1.907  -7.453  -3.924
   87   HH12  ARG  11          2HH1      ARG  11   2.716  -8.446  -5.096
   88   HH21  ARG  11          1HH2      ARG  11   0.481  -7.644  -7.694
   89   HH22  ARG  11          2HH2      ARG  11   1.894  -8.566  -7.253
   90    H    ASN  12           H        ASN  12  -3.867  -4.412  -1.936
   91    HA   ASN  12           HA       ASN  12  -5.755  -6.523  -1.999
   92    HB2  ASN  12           2HB      ASN  12  -5.455  -5.991   0.522
   93    HB3  ASN  12           1HB      ASN  12  -6.313  -4.507   0.178
   94   HD21  ASN  12          1HD2      ASN  12  -6.513  -7.972   0.323
   95   HD22  ASN  12          2HD2      ASN  12  -8.245  -8.071   0.343
   96    H    TYR  13           H        TYR  13  -8.052  -5.046  -1.664
   97    HA   TYR  13           HA       TYR  13  -7.862  -2.633  -3.203
   98    HB2  TYR  13           2HB      TYR  13  -8.040  -4.979  -4.613
   99    HB3  TYR  13           1HB      TYR  13  -9.712  -4.445  -4.510
  100    HD1  TYR  13           2HD      TYR  13  -6.313  -3.196  -5.387
  101    HD2  TYR  13           1HD      TYR  13 -10.499  -2.932  -6.089
  102    HE1  TYR  13           2HE      TYR  13  -5.894  -1.654  -7.251
  103    HE2  TYR  13           1HE      TYR  13 -10.092  -1.390  -7.960
  104    HH   TYR  13           HH       TYR  13  -8.487   0.035  -8.854
  105    H    GLY  14           H        GLY  14 -10.243  -5.103  -2.643
  106    HA2  GLY  14           2HA      GLY  14 -12.032  -5.093  -1.247
  107    HA3  GLY  14           1HA      GLY  14 -11.521  -3.553  -0.607
  108    H    LYS  15           H        LYS  15 -14.192  -4.623  -1.497
  109    HA   LYS  15           HA       LYS  15 -14.992  -3.130  -3.760
  110    HB2  LYS  15           2HB      LYS  15 -16.811  -3.791  -1.516
  111    HB3  LYS  15           1HB      LYS  15 -17.185  -3.711  -3.223
  112    HG2  LYS  15           2HG      LYS  15 -15.489  -5.783  -1.891
  113    HG3  LYS  15           1HG      LYS  15 -17.162  -6.007  -2.395
  114    HD2  LYS  15           2HD      LYS  15 -16.447  -5.542  -4.736
  115    HD3  LYS  15           1HD      LYS  15 -14.778  -5.476  -4.168
  116    HE2  LYS  15           2HE      LYS  15 -16.644  -7.840  -4.089
  117    HE3  LYS  15           1HE      LYS  15 -15.198  -7.656  -5.078
  118    HZ1  LYS  15           3HZ      LYS  15 -13.870  -7.624  -3.039
  119    HZ2  LYS  15           1HZ      LYS  15 -14.757  -9.061  -3.180
  120    HZ3  LYS  15           2HZ      LYS  15 -15.274  -7.852  -2.112
  121    H    GLY  16           H        GLY  16 -15.599  -2.669  -0.376
  122    HA2  GLY  16           2HA      GLY  16 -14.829  -0.670   0.706
  123    HA3  GLY  16           1HA      GLY  16 -15.139   0.206  -0.775
  124    H    SER  17           H        SER  17 -16.364  -0.727   2.236
  125    HA   SER  17           HA       SER  17 -19.113  -0.151   1.795
  126    HB2  SER  17           2HB      SER  17 -19.036   0.314   4.315
  127    HB3  SER  17           1HB      SER  17 -18.576  -1.310   3.805
  128    HG   SER  17           HG       SER  17 -17.018   0.750   4.871
  129    H    GLY  18           H        GLY  18 -16.309   1.637   2.747
  130    HA2  GLY  18           2HA      GLY  18 -17.486   4.074   1.639
  131    HA3  GLY  18           1HA      GLY  18 -16.797   4.134   3.260
  132    H    SER  19           H        SER  19 -16.110   3.511  -0.103
  133    HA   SER  19           HA       SER  19 -13.443   2.846  -0.005
  134    HB2  SER  19           2HB      SER  19 -13.371   4.039  -2.287
  135    HB3  SER  19           1HB      SER  19 -14.376   2.604  -2.088
  136    HG   SER  19           HG       SER  19 -15.328   5.270  -1.781
  137    H    PHE  20           H        PHE  20 -11.810   3.783   0.795
  138    HA   PHE  20           HA       PHE  20 -11.839   6.616   1.445
  139    HB2  PHE  20           2HB      PHE  20 -11.193   4.582   2.971
  140    HB3  PHE  20           1HB      PHE  20  -9.656   4.714   2.144
  141    HD1  PHE  20           2HD      PHE  20 -12.091   6.762   4.060
  142    HD2  PHE  20           1HD      PHE  20  -8.026   6.135   2.961
  143    HE1  PHE  20           2HE      PHE  20 -11.397   8.524   5.630
  144    HE2  PHE  20           1HE      PHE  20  -7.326   7.895   4.529
  145    HZ   PHE  20           HZ       PHE  20  -9.013   9.090   5.866
  146    H    THR  21           H        THR  21 -10.013   4.225  -0.222
  147    HA   THR  21           HA       THR  21  -8.480   4.248  -1.893
  148    HB   THR  21           HB       THR  21  -8.955   7.159  -2.361
  149    HG1  THR  21           1HG      THR  21 -10.818   6.712  -3.401
  150   HG21  THR  21          3HG2      THR  21  -8.632   5.075  -4.463
  151   HG22  THR  21          1HG2      THR  21  -7.217   5.564  -3.526
  152   HG23  THR  21          2HG2      THR  21  -8.117   6.763  -4.463
  153    H    ASN  22           H        ASN  22  -6.803   3.887  -0.622
  154    HA   ASN  22           HA       ASN  22  -4.984   6.162  -0.217
  155    HB2  ASN  22           2HB      ASN  22  -5.798   4.043   1.691
  156    HB3  ASN  22           1HB      ASN  22  -4.069   4.364   1.601
  157   HD21  ASN  22          1HD2      ASN  22  -6.342   6.908   0.925
  158   HD22  ASN  22          2HD2      ASN  22  -6.065   7.799   2.385
  159    H    TYR  23           H        TYR  23  -2.650   4.951   0.084
  160    HA   TYR  23           HA       TYR  23  -2.478   3.562  -2.462
  161    HB2  TYR  23           2HB      TYR  23  -0.386   4.952  -0.780
  162    HB3  TYR  23           1HB      TYR  23   0.004   4.015  -2.216
  163    HD1  TYR  23           1HD      TYR  23  -2.051   6.886  -1.068
  164    HD2  TYR  23           2HD      TYR  23  -0.057   5.001  -4.310
  165    HE1  TYR  23           1HE      TYR  23  -2.493   8.860  -2.480
  166    HE2  TYR  23           2HE      TYR  23  -0.491   6.955  -5.730
  167    HH   TYR  23           HH       TYR  23  -1.475   9.918  -4.554
  168    H    TYR  24           H        TYR  24  -1.004   1.848  -2.730
  169    HA   TYR  24           HA       TYR  24  -0.081   0.346  -0.400
  170    HB2  TYR  24           2HB      TYR  24  -1.069  -1.700  -1.080
  171    HB3  TYR  24           1HB      TYR  24  -2.374  -0.523  -1.144
  172    HD1  TYR  24           2HD      TYR  24  -3.139   0.333  -3.386
  173    HD2  TYR  24           1HD      TYR  24  -0.346  -2.850  -3.014
  174    HE1  TYR  24           2HE      TYR  24  -3.574  -0.335  -5.716
  175    HE2  TYR  24           1HE      TYR  24  -0.758  -3.509  -5.287
  176    HH   TYR  24           HH       TYR  24  -2.285  -1.591  -7.544
  177    H    TYR  25           H        TYR  25   1.827  -0.842  -0.951
  178    HA   TYR  25           HA       TYR  25   3.041   0.064  -3.426
  179    HB2  TYR  25           2HB      TYR  25   4.369   0.151  -1.367
  180    HB3  TYR  25           1HB      TYR  25   4.194  -1.582  -1.187
  181    HD1  TYR  25           1HD      TYR  25   5.435  -3.125  -2.634
  182    HD2  TYR  25           2HD      TYR  25   5.898   1.090  -2.981
  183    HE1  TYR  25           1HE      TYR  25   7.482  -3.463  -3.950
  184    HE2  TYR  25           2HE      TYR  25   7.944   0.761  -4.298
  185    HH   TYR  25           HH       TYR  25   8.797  -2.158  -5.668
  186    H    ASP  26           H        ASP  26   3.280  -1.090  -5.189
  187    HA   ASP  26           HA       ASP  26   2.555  -3.945  -5.107
  188    HB2  ASP  26           2HB      ASP  26   0.769  -2.684  -6.134
  189    HB3  ASP  26           1HB      ASP  26   1.908  -1.846  -7.178
  190    H    LYS  27           H        LYS  27   4.350  -5.126  -5.489
  191    HA   LYS  27           HA       LYS  27   6.518  -3.992  -6.967
  192    HB2  LYS  27           2HB      LYS  27   7.283  -6.559  -6.490
  193    HB3  LYS  27           1HB      LYS  27   7.584  -5.190  -5.427
  194    HG2  LYS  27           2HG      LYS  27   5.299  -5.712  -4.459
  195    HG3  LYS  27           1HG      LYS  27   5.463  -7.281  -5.248
  196    HD2  LYS  27           2HD      LYS  27   6.241  -7.466  -2.962
  197    HD3  LYS  27           1HD      LYS  27   7.620  -7.604  -4.055
  198    HE2  LYS  27           2HE      LYS  27   7.145  -4.858  -3.368
  199    HE3  LYS  27           1HE      LYS  27   7.307  -5.832  -1.904
  200    HZ1  LYS  27           3HZ      LYS  27   9.275  -5.607  -4.128
  201    HZ2  LYS  27           1HZ      LYS  27   9.404  -6.728  -2.859
  202    HZ3  LYS  27           2HZ      LYS  27   9.469  -5.064  -2.535
  203    H    ALA  28           H        ALA  28   3.911  -4.842  -8.314
  204    HA   ALA  28           HA       ALA  28   5.162  -6.443 -10.433
  205    HB1  ALA  28           1HB      ALA  28   2.305  -5.500 -10.158
  206    HB2  ALA  28           2HB      ALA  28   2.897  -7.114  -9.764
  207    HB3  ALA  28           3HB      ALA  28   2.932  -6.545 -11.434
  208    H    THR  29           H        THR  29   4.117  -3.297  -9.512
  209    HA   THR  29           HA       THR  29   5.075  -2.224 -12.084
  210    HB   THR  29           HB       THR  29   2.789  -1.511 -11.554
  211    HG1  THR  29           1HG      THR  29   4.912   0.253 -11.736
  212   HG21  THR  29          3HG2      THR  29   3.977  -0.311  -9.048
  213   HG22  THR  29          1HG2      THR  29   2.901  -1.709  -9.111
  214   HG23  THR  29          2HG2      THR  29   2.313  -0.119  -9.601
  215    H    SER  30           H        SER  30   6.062  -2.949  -9.086
  216    HA   SER  30           HA       SER  30   7.817  -2.433  -7.767
  217    HB2  SER  30           2HB      SER  30   8.747  -1.051 -10.283
  218    HB3  SER  30           1HB      SER  30   9.773  -1.405  -8.892
  219    HG   SER  30           HG       SER  30   8.646  -3.148 -10.790
  220    H    SER  31           H        SER  31   5.533  -0.659  -7.655
  221    HA   SER  31           HA       SER  31   6.694   1.477  -6.180
  222    HB2  SER  31           2HB      SER  31   5.478   3.239  -7.680
  223    HB3  SER  31           1HB      SER  31   7.083   2.660  -8.133
  224    HG   SER  31           HG       SER  31   6.046   1.180  -9.557
  225    H    CYS  32           H        CYS  32   4.762   3.210  -5.836
  226    HA   CYS  32           HA       CYS  32   2.742   1.575  -4.512
  227    HB2  CYS  32           2HB      CYS  32   3.361   4.527  -4.294
  228    HB3  CYS  32           1HB      CYS  32   2.316   3.606  -3.210
  229    H    LYS  33           H        LYS  33   0.674   1.453  -5.149
  230    HA   LYS  33           HA       LYS  33  -0.447   3.625  -6.799
  231    HB2  LYS  33           2HB      LYS  33  -0.084   1.546  -8.136
  232    HB3  LYS  33           1HB      LYS  33  -1.153   0.686  -7.053
  233    HG2  LYS  33           2HG      LYS  33  -2.301   1.256  -9.099
  234    HG3  LYS  33           1HG      LYS  33  -3.003   2.135  -7.747
  235    HD2  LYS  33           2HD      LYS  33  -0.934   3.380  -9.533
  236    HD3  LYS  33           1HD      LYS  33  -2.644   3.404  -9.943
  237    HE2  LYS  33           2HE      LYS  33  -3.005   4.429  -7.656
  238    HE3  LYS  33           1HE      LYS  33  -1.263   4.652  -7.584
  239    HZ1  LYS  33           3HZ      LYS  33  -3.086   5.790  -9.636
  240    HZ2  LYS  33           1HZ      LYS  33  -1.401   5.980  -9.614
  241    HZ3  LYS  33           2HZ      LYS  33  -2.344   6.645  -8.372
  242    H    THR  34           H        THR  34  -3.142   2.691  -6.665
  243    HA   THR  34           HA       THR  34  -3.546   3.083  -3.775
  244    HB   THR  34           HB       THR  34  -5.689   4.287  -4.551
  245    HG1  THR  34           1HG      THR  34  -5.369   3.866  -6.808
  246   HG21  THR  34          3HG2      THR  34  -2.990   5.587  -4.780
  247   HG22  THR  34          1HG2      THR  34  -3.896   5.311  -3.289
  248   HG23  THR  34          2HG2      THR  34  -4.523   6.420  -4.514
  249    H    PHE  35           H        PHE  35  -5.705   2.641  -2.980
  250    HA   PHE  35           HA       PHE  35  -7.411   0.779  -4.352
  251    HB2  PHE  35           2HB      PHE  35  -6.988  -1.172  -3.129
  252    HB3  PHE  35           1HB      PHE  35  -5.374  -0.575  -3.476
  253    HD1  PHE  35           1HD      PHE  35  -5.031   1.497  -1.366
  254    HD2  PHE  35           2HD      PHE  35  -6.796  -2.380  -1.217
  255    HE1  PHE  35           1HE      PHE  35  -4.522   1.336   1.041
  256    HE2  PHE  35           2HE      PHE  35  -6.278  -2.534   1.177
  257    HZ   PHE  35           HZ       PHE  35  -5.136  -0.673   2.309
  258    H    ARG  36           H        ARG  36  -9.224   0.209  -2.999
  259    HA   ARG  36           HA       ARG  36 -10.263   2.598  -1.965
  260    HB2  ARG  36           2HB      ARG  36 -11.237  -0.219  -2.009
  261    HB3  ARG  36           1HB      ARG  36 -12.236   1.129  -1.497
  262    HG2  ARG  36           2HG      ARG  36 -11.047   0.656  -4.213
  263    HG3  ARG  36           1HG      ARG  36 -12.755   0.587  -3.772
  264    HD2  ARG  36           2HD      ARG  36 -12.604   3.001  -3.145
  265    HD3  ARG  36           1HD      ARG  36 -10.968   3.011  -3.812
  266    HE   ARG  36           HE       ARG  36 -12.763   1.984  -5.730
  267   HH11  ARG  36          1HH1      ARG  36 -11.772   4.997  -4.224
  268   HH12  ARG  36          2HH1      ARG  36 -12.349   5.983  -5.537
  269   HH21  ARG  36          1HH2      ARG  36 -13.486   3.277  -7.458
  270   HH22  ARG  36          2HH2      ARG  36 -13.302   5.002  -7.381
  271    H    TYR  37           H        TYR  37  -8.744  -0.106  -0.550
  272    HA   TYR  37           HA       TYR  37  -8.017  -0.588   1.518
  273    HB2  TYR  37           2HB      TYR  37  -7.494   1.776   1.842
  274    HB3  TYR  37           1HB      TYR  37  -9.162   2.096   2.316
  275    HD1  TYR  37           1HD      TYR  37  -6.347  -0.183   3.294
  276    HD2  TYR  37           2HD      TYR  37  -9.575   2.277   4.573
  277    HE1  TYR  37           1HE      TYR  37  -5.746  -0.618   5.639
  278    HE2  TYR  37           2HE      TYR  37  -8.983   1.847   6.919
  279    HH   TYR  37           HH       TYR  37  -6.051   0.474   7.857
  280    H    ARG  38           H        ARG  38 -11.191  -0.118   0.697
  281    HA   ARG  38           HA       ARG  38 -13.149  -1.092   1.308
  282    HB2  ARG  38           2HB      ARG  38 -11.326  -2.411   3.248
  283    HB3  ARG  38           1HB      ARG  38 -13.052  -2.465   3.571
  284    HG2  ARG  38           2HG      ARG  38 -13.440  -3.546   1.438
  285    HG3  ARG  38           1HG      ARG  38 -11.721  -3.428   1.050
  286    HD2  ARG  38           2HD      ARG  38 -12.493  -5.665   1.919
  287    HD3  ARG  38           1HD      ARG  38 -11.131  -4.937   2.772
  288    HE   ARG  38           HE       ARG  38 -13.354  -4.126   4.160
  289   HH11  ARG  38          1HH1      ARG  38 -12.021  -7.225   3.224
  290   HH12  ARG  38          2HH1      ARG  38 -12.604  -8.043   4.651
  291   HH21  ARG  38          1HH2      ARG  38 -14.084  -5.182   6.052
  292   HH22  ARG  38          2HH2      ARG  38 -13.756  -6.878   6.266
  293    H    GLY  39           H        GLY  39 -11.305   0.123   4.079
  294    HA2  GLY  39           2HA      GLY  39 -11.899   1.982   5.406
  295    HA3  GLY  39           1HA      GLY  39 -13.537   1.889   4.763
  296    H    SER  40           H        SER  40 -14.443  -0.466   5.231
  297    HA   SER  40           HA       SER  40 -14.373  -0.814   8.122
  298    HB2  SER  40           2HB      SER  40 -16.537  -0.693   6.783
  299    HB3  SER  40           1HB      SER  40 -16.114  -2.266   6.115
  300    HG   SER  40           HG       SER  40 -16.361  -1.725   8.899
  301    H    GLY  41           H        GLY  41 -12.021  -1.470   7.324
  302    HA2  GLY  41           2HA      GLY  41 -11.199  -3.811   8.154
  303    HA3  GLY  41           1HA      GLY  41 -11.912  -4.311   6.626
  304    H    GLY  42           H        GLY  42  -9.776  -5.025   5.991
  305    HA2  GLY  42           2HA      GLY  42  -8.503  -3.850   4.063
  306    HA3  GLY  42           1HA      GLY  42  -7.909  -2.836   5.371
  307    H    ASN  43           H        ASN  43  -6.627  -4.837   3.469
  308    HA   ASN  43           HA       ASN  43  -5.368  -6.545   5.511
  309    HB2  ASN  43           2HB      ASN  43  -6.530  -7.814   3.736
  310    HB3  ASN  43           1HB      ASN  43  -5.558  -6.996   2.518
  311   HD21  ASN  43          1HD2      ASN  43  -4.364  -8.137   5.631
  312   HD22  ASN  43          2HD2      ASN  43  -3.321  -9.352   4.982
  313    H    GLY  44           H        GLY  44  -3.245  -6.300   5.884
  314    HA2  GLY  44           2HA      GLY  44  -1.003  -5.856   5.324
  315    HA3  GLY  44           1HA      GLY  44  -1.550  -5.032   3.872
  316    H    ASN  45           H        ASN  45  -0.303  -3.213   4.251
  317    HA   ASN  45           HA       ASN  45  -1.085  -1.611   6.592
  318    HB2  ASN  45           2HB      ASN  45   1.501  -1.729   5.048
  319    HB3  ASN  45           1HB      ASN  45   1.095  -0.340   6.049
  320   HD21  ASN  45          1HD2      ASN  45   2.766  -0.655   7.458
  321   HD22  ASN  45          2HD2      ASN  45   2.810  -1.972   8.595
  322    H    ARG  46           H        ARG  46  -2.030   0.295   6.269
  323    HA   ARG  46           HA       ARG  46  -2.687   1.038   3.548
  324    HB2  ARG  46           2HB      ARG  46  -4.525   1.153   5.036
  325    HB3  ARG  46           1HB      ARG  46  -3.594   2.031   6.245
  326    HG2  ARG  46           2HG      ARG  46  -3.554   3.988   4.812
  327    HG3  ARG  46           1HG      ARG  46  -4.415   3.102   3.556
  328    HD2  ARG  46           2HD      ARG  46  -5.911   4.566   4.834
  329    HD3  ARG  46           1HD      ARG  46  -6.349   2.867   4.993
  330    HE   ARG  46           HE       ARG  46  -4.735   3.368   7.156
  331   HH11  ARG  46          1HH1      ARG  46  -7.693   4.741   5.880
  332   HH12  ARG  46          2HH1      ARG  46  -8.315   5.199   7.430
  333   HH21  ARG  46          1HH2      ARG  46  -5.548   3.985   9.218
  334   HH22  ARG  46          2HH2      ARG  46  -7.091   4.780   9.327
  335    H    PHE  47           H        PHE  47  -1.780   2.603   2.419
  336    HA   PHE  47           HA       PHE  47   0.149   4.372   3.782
  337    HB2  PHE  47           2HB      PHE  47   0.077   3.282   0.966
  338    HB3  PHE  47           1HB      PHE  47   1.166   4.569   1.465
  339    HD1  PHE  47           1HD      PHE  47   2.536   4.006   3.660
  340    HD2  PHE  47           2HD      PHE  47   0.870   1.132   1.008
  341    HE1  PHE  47           1HE      PHE  47   4.144   2.339   4.467
  342    HE2  PHE  47           2HE      PHE  47   2.478  -0.549   1.809
  343    HZ   PHE  47           HZ       PHE  47   4.123   0.054   3.543
  344    H    LYS  48           H        LYS  48  -0.536   6.412   3.954
  345    HA   LYS  48           HA       LYS  48  -2.985   7.226   2.773
  346    HB2  LYS  48           2HB      LYS  48  -0.892   8.703   4.368
  347    HB3  LYS  48           1HB      LYS  48  -2.323   9.506   3.750
  348    HG2  LYS  48           2HG      LYS  48  -2.530   8.845   6.111
  349    HG3  LYS  48           1HG      LYS  48  -3.750   8.088   5.089
  350    HD2  LYS  48           2HD      LYS  48  -2.819   6.004   5.286
  351    HD3  LYS  48           1HD      LYS  48  -1.208   6.634   5.602
  352    HE2  LYS  48           2HE      LYS  48  -3.534   6.745   7.517
  353    HE3  LYS  48           1HE      LYS  48  -2.221   5.570   7.582
  354    HZ1  LYS  48           3HZ      LYS  48  -2.012   8.510   7.965
  355    HZ2  LYS  48           1HZ      LYS  48  -0.671   7.474   7.843
  356    HZ3  LYS  48           2HZ      LYS  48  -1.765   7.303   9.128
  357    H    THR  49           H        THR  49   0.371   7.940   2.128
  358    HA   THR  49           HA       THR  49  -0.423   9.091  -0.453
  359    HB   THR  49           HB       THR  49   1.602  10.554  -0.288
  360    HG1  THR  49           1HG      THR  49   2.125  10.873   2.133
  361   HG21  THR  49          3HG2      THR  49   0.572  12.232   1.163
  362   HG22  THR  49          1HG2      THR  49  -0.482  10.997   1.854
  363   HG23  THR  49          2HG2      THR  49  -0.643  11.445   0.156
  364    H    LEU  50           H        LEU  50   1.287   8.863  -2.116
  365    HA   LEU  50           HA       LEU  50   2.529   6.281  -1.872
  366    HB2  LEU  50           2HB      LEU  50   2.129   6.236  -4.047
  367    HB3  LEU  50           1HB      LEU  50   1.611   7.900  -3.995
  368    HG   LEU  50           HG       LEU  50   3.178   7.554  -5.781
  369   HD11  LEU  50          1HD1      LEU  50   4.343   9.207  -3.571
  370   HD12  LEU  50          2HD1      LEU  50   3.251   9.729  -4.854
  371   HD13  LEU  50          3HD1      LEU  50   4.900   9.237  -5.243
  372   HD21  LEU  50          3HD2      LEU  50   4.398   5.644  -5.001
  373   HD22  LEU  50          1HD2      LEU  50   5.143   6.586  -3.703
  374   HD23  LEU  50          2HD2      LEU  50   5.523   6.945  -5.391
  375    H    GLU  51           H        GLU  51   3.395   9.580  -1.561
  376    HA   GLU  51           HA       GLU  51   6.204   9.268  -1.721
  377    HB2  GLU  51           2HB      GLU  51   6.345  11.391  -0.457
  378    HB3  GLU  51           1HB      GLU  51   5.258  11.482  -1.835
  379    HG2  GLU  51           2HG      GLU  51   3.349  11.416  -0.455
  380    HG3  GLU  51           1HG      GLU  51   4.301  10.969   0.962
  381    H    ASP  52           H        ASP  52   3.920   8.895   0.895
  382    HA   ASP  52           HA       ASP  52   5.810   8.349   2.956
  383    HB2  ASP  52           2HB      ASP  52   3.447   8.952   3.398
  384    HB3  ASP  52           1HB      ASP  52   2.927   7.452   2.651
  385    H    CYS  53           H        CYS  53   3.737   6.327   0.986
  386    HA   CYS  53           HA       CYS  53   4.642   3.811   1.674
  387    HB2  CYS  53           2HB      CYS  53   2.677   4.085   0.343
  388    HB3  CYS  53           1HB      CYS  53   3.573   4.918  -0.924
  389    H    GLU  54           H        GLU  54   5.869   5.951  -0.901
  390    HA   GLU  54           HA       GLU  54   7.860   4.080  -1.739
  391    HB2  GLU  54           2HB      GLU  54   8.615   5.731  -3.248
  392    HB3  GLU  54           1HB      GLU  54   6.872   5.912  -3.197
  393    HG2  GLU  54           2HG      GLU  54   7.034   7.870  -1.880
  394    HG3  GLU  54           1HG      GLU  54   8.738   7.585  -1.547
  395    H    ALA  55           H        ALA  55   7.666   6.600   0.615
  396    HA   ALA  55           HA       ALA  55  10.340   7.228   0.856
  397    HB1  ALA  55           1HB      ALA  55   8.154   7.142   2.932
  398    HB2  ALA  55           2HB      ALA  55   8.815   8.551   2.101
  399    HB3  ALA  55           3HB      ALA  55   9.788   7.695   3.298
  400    H    THR  56           H        THR  56   8.522   4.926   2.845
  401    HA   THR  56           HA       THR  56  10.823   3.771   3.982
  402    HB   THR  56           HB       THR  56   8.830   3.534   5.219
  403    HG1  THR  56           1HG      THR  56   9.825   1.689   5.666
  404   HG21  THR  56          3HG2      THR  56   7.608   2.100   2.856
  405   HG22  THR  56          1HG2      THR  56   7.206   3.730   3.399
  406   HG23  THR  56          2HG2      THR  56   6.843   2.343   4.426
  407    H    CYS  57           H        CYS  57   8.753   2.608   1.320
  408    HA   CYS  57           HA       CYS  57  10.274   0.152   1.257
  409    HB2  CYS  57           2HB      CYS  57   7.765   0.297   0.945
  410    HB3  CYS  57           1HB      CYS  57   8.093   0.937  -0.663
  411    H    VAL  58           H        VAL  58   9.868   2.986  -0.846
  412    HA   VAL  58           HA       VAL  58  11.326   1.796  -2.988
  413    HB   VAL  58           HB       VAL  58  10.253   4.559  -2.528
  414   HG11  VAL  58          1HG1      VAL  58  12.485   4.856  -3.555
  415   HG12  VAL  58          2HG1      VAL  58  11.173   5.302  -4.651
  416   HG13  VAL  58          3HG1      VAL  58  12.009   3.762  -4.856
  417   HG21  VAL  58          3HG2      VAL  58   8.737   2.860  -3.347
  418   HG22  VAL  58          1HG2      VAL  58   9.852   2.459  -4.656
  419   HG23  VAL  58          2HG2      VAL  58   9.061   4.034  -4.622
  420    H    THR  59           H        THR  59  12.263   3.888  -0.248
  421    HA   THR  59           HA       THR  59  14.891   4.306  -1.291
  422    HB   THR  59           HB       THR  59  15.561   4.849   1.009
  423    HG1  THR  59           1HG      THR  59  12.897   4.740   1.862
  424   HG21  THR  59          3HG2      THR  59  13.596   6.686   1.189
  425   HG22  THR  59          1HG2      THR  59  13.375   6.136  -0.471
  426   HG23  THR  59          2HG2      THR  59  14.933   6.791   0.039
  427    H    ALA  60           H        ALA  60  13.453   2.037   0.924
  428    HA   ALA  60           HA       ALA  60  15.608   0.490   1.658
  429    HB1  ALA  60           1HB      ALA  60  12.839  -0.518   1.064
  430    HB2  ALA  60           2HB      ALA  60  13.332   0.270   2.563
  431    HB3  ALA  60           3HB      ALA  60  14.039  -1.280   2.108
  432    H    GLU  61           H        GLU  61  13.579   0.149  -1.186
  433    HA   GLU  61           HA       GLU  61  13.761  -0.980  -3.127
  434    HB2  GLU  61           2HB      GLU  61  16.682  -0.890  -2.407
  435    HB3  GLU  61           1HB      GLU  61  16.079  -1.477  -3.952
  436    HG2  GLU  61           2HG      GLU  61  14.997   0.759  -4.265
  437    HG3  GLU  61           1HG      GLU  61  15.855   1.300  -2.825
  Start of MODEL   10
    1    H2   PRO   1           1HT      PRO   1  20.679  -2.567   1.313
    2    H3   PRO   1           2HT      PRO   1  21.644  -3.648   2.078
    3    HA   PRO   1           HA       PRO   1  20.726  -3.426   4.009
    4    HB2  PRO   1           2HB      PRO   1  19.402  -0.868   3.902
    5    HB3  PRO   1           1HB      PRO   1  20.683  -1.406   4.998
    6    HG2  PRO   1           2HG      PRO   1  20.885   0.106   2.474
    7    HG3  PRO   1           1HG      PRO   1  22.014   0.032   3.839
    8    HD2  PRO   1           2HD      PRO   1  22.604  -1.147   1.514
    9    HD3  PRO   1           1HD      PRO   1  23.033  -1.913   3.056
   10    H    ALA   2           H        ALA   2  18.996  -4.682   4.030
   11    HA   ALA   2           HA       ALA   2  16.982  -4.495   1.989
   12    HB1  ALA   2           1HB      ALA   2  17.750  -6.663   2.868
   13    HB2  ALA   2           2HB      ALA   2  16.008  -6.455   3.041
   14    HB3  ALA   2           3HB      ALA   2  17.063  -6.256   4.440
   15    H    GLN   3           H        GLN   3  14.688  -4.300   2.434
   16    HA   GLN   3           HA       GLN   3  14.211  -2.182   4.351
   17    HB2  GLN   3           2HB      GLN   3  11.783  -2.720   3.144
   18    HB3  GLN   3           1HB      GLN   3  12.923  -1.473   2.670
   19    HG2  GLN   3           2HG      GLN   3  12.348  -2.654   0.713
   20    HG3  GLN   3           1HG      GLN   3  13.983  -3.154   1.140
   21   HE21  GLN   3          1HE2      GLN   3  10.714  -4.123   0.725
   22   HE22  GLN   3          2HE2      GLN   3  10.947  -5.816   0.989
   23    H    ASP   4           H        ASP   4  11.564  -4.208   3.650
   24    HA   ASP   4           HA       ASP   4  11.581  -5.988   5.807
   25    HB2  ASP   4           2HB      ASP   4  11.470  -3.694   7.000
   26    HB3  ASP   4           1HB      ASP   4   9.847  -3.583   6.365
   27    H    TYR   5           H        TYR   5   8.843  -5.977   6.394
   28    HA   TYR   5           HA       TYR   5   7.748  -6.829   3.844
   29    HB2  TYR   5           2HB      TYR   5   6.457  -6.731   6.580
   30    HB3  TYR   5           1HB      TYR   5   5.771  -7.483   5.144
   31    HD1  TYR   5           2HD      TYR   5   6.877  -9.510   4.178
   32    HD2  TYR   5           1HD      TYR   5   8.037  -7.869   7.930
   33    HE1  TYR   5           2HE      TYR   5   8.004 -11.621   4.747
   34    HE2  TYR   5           1HE      TYR   5   9.172  -9.972   8.504
   35    HH   TYR   5           HH       TYR   5   8.986 -12.398   7.852
   36    H    ARG   6           H        ARG   6   7.748  -4.086   5.861
   37    HA   ARG   6           HA       ARG   6   5.321  -2.857   5.273
   38    HB2  ARG   6           2HB      ARG   6   6.360  -0.798   6.016
   39    HB3  ARG   6           1HB      ARG   6   6.859  -2.130   7.051
   40    HG2  ARG   6           2HG      ARG   6   8.986  -2.261   5.926
   41    HG3  ARG   6           1HG      ARG   6   8.479  -1.027   4.778
   42    HD2  ARG   6           2HD      ARG   6   9.884   0.025   6.392
   43    HD3  ARG   6           1HD      ARG   6   8.230   0.548   6.701
   44    HE   ARG   6           HE       ARG   6   8.993  -1.727   8.272
   45   HH11  ARG   6          1HH1      ARG   6   9.150   1.762   8.066
   46   HH12  ARG   6          2HH1      ARG   6   9.342   1.989   9.779
   47   HH21  ARG   6          1HH2      ARG   6   9.303  -1.444  10.519
   48   HH22  ARG   6          2HH2      ARG   6   9.442   0.165  11.173
   49    H    CYS   7           H        CYS   7   7.979  -3.392   3.226
   50    HA   CYS   7           HA       CYS   7   7.064  -1.340   1.344
   51    HB2  CYS   7           2HB      CYS   7   9.422  -1.205   1.786
   52    HB3  CYS   7           1HB      CYS   7   9.628  -2.927   1.506
   53    H    GLN   8           H        GLN   8   7.423  -4.786   1.787
   54    HA   GLN   8           HA       GLN   8   6.497  -5.240  -0.953
   55    HB2  GLN   8           2HB      GLN   8   7.012  -7.674  -0.428
   56    HB3  GLN   8           1HB      GLN   8   8.384  -6.582  -0.538
   57    HG2  GLN   8           2HG      GLN   8   8.487  -6.480   1.908
   58    HG3  GLN   8           1HG      GLN   8   7.114  -7.579   2.004
   59   HE21  GLN   8          1HE2      GLN   8   9.524  -7.951  -0.466
   60   HE22  GLN   8          2HE2      GLN   8  10.259  -9.379   0.184
   61    H    LEU   9           H        LEU   9   5.831  -7.517   1.635
   62    HA   LEU   9           HA       LEU   9   3.885  -8.534   2.228
   63    HB2  LEU   9           2HB      LEU   9   3.356  -5.606   2.517
   64    HB3  LEU   9           1HB      LEU   9   2.048  -6.731   2.803
   65    HG   LEU   9           HG       LEU   9   4.678  -6.689   4.276
   66   HD11  LEU   9          1HD1      LEU   9   3.230  -4.809   4.847
   67   HD12  LEU   9          2HD1      LEU   9   3.334  -5.960   6.180
   68   HD13  LEU   9          3HD1      LEU   9   1.897  -5.922   5.158
   69   HD21  LEU   9          3HD2      LEU   9   2.227  -8.404   4.677
   70   HD22  LEU   9          1HD2      LEU   9   3.648  -8.373   5.722
   71   HD23  LEU   9          2HD2      LEU   9   3.788  -8.951   4.062
   72    H    SER  10           H        SER  10   1.189  -7.598   1.786
   73    HA   SER  10           HA       SER  10   0.963  -7.617  -1.134
   74    HB2  SER  10           2HB      SER  10  -1.028  -9.065  -0.868
   75    HB3  SER  10           1HB      SER  10   0.451  -9.859  -0.331
   76    HG   SER  10           HG       SER  10  -1.497  -8.606   1.322
   77    H    ARG  11           H        ARG  11  -0.895  -6.487  -1.923
   78    HA   ARG  11           HA       ARG  11  -2.071  -4.528  -0.173
   79    HB2  ARG  11           2HB      ARG  11  -3.551  -4.045  -2.135
   80    HB3  ARG  11           1HB      ARG  11  -1.830  -3.883  -2.466
   81    HG2  ARG  11           2HG      ARG  11  -3.056  -6.485  -2.976
   82    HG3  ARG  11           1HG      ARG  11  -3.497  -5.180  -4.068
   83    HD2  ARG  11           2HD      ARG  11  -1.343  -4.962  -4.867
   84    HD3  ARG  11           1HD      ARG  11  -0.624  -5.638  -3.407
   85    HE   ARG  11           HE       ARG  11  -1.758  -7.806  -4.288
   86   HH11  ARG  11          1HH1      ARG  11  -0.292  -5.313  -6.262
   87   HH12  ARG  11          2HH1      ARG  11   0.274  -6.416  -7.480
   88   HH21  ARG  11          1HH2      ARG  11  -1.060  -9.262  -5.901
   89   HH22  ARG  11          2HH2      ARG  11  -0.195  -8.659  -7.286
   90    H    ASN  12           H        ASN  12  -4.817  -4.687  -0.970
   91    HA   ASN  12           HA       ASN  12  -5.711  -6.643   0.851
   92    HB2  ASN  12           2HB      ASN  12  -7.968  -6.068   0.014
   93    HB3  ASN  12           1HB      ASN  12  -7.047  -4.694   0.550
   94   HD21  ASN  12          1HD2      ASN  12  -8.758  -6.142  -1.986
   95   HD22  ASN  12          2HD2      ASN  12  -8.433  -4.959  -3.211
   96    H    TYR  13           H        TYR  13  -7.134  -8.331   0.441
   97    HA   TYR  13           HA       TYR  13  -6.609  -9.684  -2.120
   98    HB2  TYR  13           2HB      TYR  13  -5.866 -10.563   0.389
   99    HB3  TYR  13           1HB      TYR  13  -7.327 -11.483   0.047
  100    HD1  TYR  13           2HD      TYR  13  -3.929 -10.683  -1.207
  101    HD2  TYR  13           1HD      TYR  13  -7.315 -13.240  -1.521
  102    HE1  TYR  13           2HE      TYR  13  -2.629 -12.219  -2.623
  103    HE2  TYR  13           1HE      TYR  13  -6.028 -14.784  -2.933
  104    HH   TYR  13           HH       TYR  13  -2.619 -14.511  -3.331
  105    H    GLY  14           H        GLY  14  -8.840  -9.179   0.510
  106    HA2  GLY  14           2HA      GLY  14 -11.084  -9.944  -1.215
  107    HA3  GLY  14           1HA      GLY  14 -11.181  -9.548   0.501
  108    H    LYS  15           H        LYS  15 -12.946  -8.093  -0.093
  109    HA   LYS  15           HA       LYS  15 -12.005  -5.652  -1.364
  110    HB2  LYS  15           2HB      LYS  15 -14.645  -5.261  -1.189
  111    HB3  LYS  15           1HB      LYS  15 -13.864  -6.015  -2.570
  112    HG2  LYS  15           2HG      LYS  15 -14.270  -8.201  -1.543
  113    HG3  LYS  15           1HG      LYS  15 -15.157  -7.406  -0.242
  114    HD2  LYS  15           2HD      LYS  15 -16.653  -6.426  -2.021
  115    HD3  LYS  15           1HD      LYS  15 -15.865  -7.511  -3.170
  116    HE2  LYS  15           2HE      LYS  15 -17.952  -8.472  -2.352
  117    HE3  LYS  15           1HE      LYS  15 -16.570  -9.437  -1.835
  118    HZ1  LYS  15           3HZ      LYS  15 -17.899  -7.392  -0.142
  119    HZ2  LYS  15           1HZ      LYS  15 -16.697  -8.487   0.342
  120    HZ3  LYS  15           2HZ      LYS  15 -18.245  -9.051  -0.067
  121    H    GLY  16           H        GLY  16 -14.779  -5.817   0.700
  122    HA2  GLY  16           2HA      GLY  16 -14.023  -5.246   3.183
  123    HA3  GLY  16           1HA      GLY  16 -13.653  -3.727   2.381
  124    H    SER  17           H        SER  17 -15.188  -2.275   2.845
  125    HA   SER  17           HA       SER  17 -17.964  -3.216   2.934
  126    HB2  SER  17           2HB      SER  17 -18.423  -1.189   4.317
  127    HB3  SER  17           1HB      SER  17 -17.289  -2.313   5.064
  128    HG   SER  17           HG       SER  17 -15.646  -0.935   4.696
  129    H    GLY  18           H        GLY  18 -16.819   0.083   2.600
  130    HA2  GLY  18           2HA      GLY  18 -18.358   0.261   0.098
  131    HA3  GLY  18           1HA      GLY  18 -18.093   1.595   1.211
  132    H    SER  19           H        SER  19 -16.526   2.977   0.736
  133    HA   SER  19           HA       SER  19 -14.178   2.212  -0.720
  134    HB2  SER  19           2HB      SER  19 -14.707   3.796  -2.625
  135    HB3  SER  19           1HB      SER  19 -15.576   2.268  -2.601
  136    HG   SER  19           HG       SER  19 -17.135   3.784  -1.272
  137    H    PHE  20           H        PHE  20 -12.797   4.015  -1.226
  138    HA   PHE  20           HA       PHE  20 -13.087   6.612  -0.169
  139    HB2  PHE  20           2HB      PHE  20 -12.754   5.113   1.923
  140    HB3  PHE  20           1HB      PHE  20 -11.121   4.912   1.341
  141    HD1  PHE  20           2HD      PHE  20 -13.527   7.696   1.963
  142    HD2  PHE  20           1HD      PHE  20  -9.534   6.257   2.286
  143    HE1  PHE  20           2HE      PHE  20 -12.871   9.781   3.092
  144    HE2  PHE  20           1HE      PHE  20  -8.869   8.344   3.408
  145    HZ   PHE  20           HZ       PHE  20 -10.549  10.077   3.873
  146    H    THR  21           H        THR  21 -10.212   6.891   0.294
  147    HA   THR  21           HA       THR  21  -8.919   5.624  -1.973
  148    HB   THR  21           HB       THR  21  -8.828   8.626  -1.892
  149    HG1  THR  21           1HG      THR  21 -10.972   7.869  -2.461
  150   HG21  THR  21          3HG2      THR  21  -8.269   6.958  -4.282
  151   HG22  THR  21          1HG2      THR  21  -7.082   6.959  -2.976
  152   HG23  THR  21          2HG2      THR  21  -7.526   8.474  -3.767
  153    H    ASN  22           H        ASN  22  -7.522   4.715  -0.596
  154    HA   ASN  22           HA       ASN  22  -5.463   6.545   0.463
  155    HB2  ASN  22           2HB      ASN  22  -6.318   3.802   1.426
  156    HB3  ASN  22           1HB      ASN  22  -4.771   4.517   1.864
  157   HD21  ASN  22          1HD2      ASN  22  -5.919   7.224   1.936
  158   HD22  ASN  22          2HD2      ASN  22  -6.812   7.313   3.414
  159    H    TYR  23           H        TYR  23  -3.257   5.297   0.369
  160    HA   TYR  23           HA       TYR  23  -3.088   4.258  -2.368
  161    HB2  TYR  23           2HB      TYR  23  -0.961   5.371  -0.510
  162    HB3  TYR  23           1HB      TYR  23  -0.632   4.722  -2.112
  163    HD1  TYR  23           1HD      TYR  23  -2.864   7.247  -0.502
  164    HD2  TYR  23           2HD      TYR  23  -0.420   6.241  -3.826
  165    HE1  TYR  23           1HE      TYR  23  -3.249   9.481  -1.452
  166    HE2  TYR  23           2HE      TYR  23  -0.801   8.469  -4.792
  167    HH   TYR  23           HH       TYR  23  -2.038  10.358  -4.651
  168    H    TYR  24           H        TYR  24  -1.755   2.428  -2.777
  169    HA   TYR  24           HA       TYR  24  -0.876   0.792  -0.525
  170    HB2  TYR  24           2HB      TYR  24  -2.106  -1.131  -1.104
  171    HB3  TYR  24           1HB      TYR  24  -3.294   0.160  -1.253
  172    HD1  TYR  24           2HD      TYR  24  -3.903   0.997  -3.548
  173    HD2  TYR  24           1HD      TYR  24  -1.500  -2.464  -2.969
  174    HE1  TYR  24           2HE      TYR  24  -4.365   0.279  -5.856
  175    HE2  TYR  24           1HE      TYR  24  -1.947  -3.186  -5.235
  176    HH   TYR  24           HH       TYR  24  -3.474  -1.136  -7.566
  177    H    TYR  25           H        TYR  25   0.733  -0.757  -1.218
  178    HA   TYR  25           HA       TYR  25   2.136   0.253  -3.503
  179    HB2  TYR  25           2HB      TYR  25   3.838  -1.478  -2.600
  180    HB3  TYR  25           1HB      TYR  25   3.611   0.039  -1.768
  181    HD1  TYR  25           1HD      TYR  25   1.923  -3.295  -1.756
  182    HD2  TYR  25           2HD      TYR  25   3.682  -0.185   0.547
  183    HE1  TYR  25           1HE      TYR  25   1.440  -4.548   0.298
  184    HE2  TYR  25           2HE      TYR  25   3.200  -1.434   2.608
  185    HH   TYR  25           HH       TYR  25   1.702  -3.170   3.396
  186    H    ASP  26           H        ASP  26   2.575  -0.767  -5.337
  187    HA   ASP  26           HA       ASP  26   1.362  -3.417  -5.735
  188    HB2  ASP  26           2HB      ASP  26   0.568  -1.490  -7.154
  189    HB3  ASP  26           1HB      ASP  26   2.183  -1.423  -7.848
  190    H    LYS  27           H        LYS  27   2.719  -5.074  -5.895
  191    HA   LYS  27           HA       LYS  27   5.518  -4.690  -5.750
  192    HB2  LYS  27           2HB      LYS  27   3.791  -7.122  -5.875
  193    HB3  LYS  27           1HB      LYS  27   5.519  -7.189  -5.721
  194    HG2  LYS  27           2HG      LYS  27   3.778  -5.773  -3.774
  195    HG3  LYS  27           1HG      LYS  27   4.241  -7.458  -3.598
  196    HD2  LYS  27           2HD      LYS  27   5.915  -6.531  -2.374
  197    HD3  LYS  27           1HD      LYS  27   6.662  -6.384  -3.964
  198    HE2  LYS  27           2HE      LYS  27   5.506  -4.093  -4.046
  199    HE3  LYS  27           1HE      LYS  27   5.312  -4.284  -2.313
  200    HZ1  LYS  27           3HZ      LYS  27   7.338  -3.050  -2.930
  201    HZ2  LYS  27           1HZ      LYS  27   7.922  -4.423  -3.731
  202    HZ3  LYS  27           2HZ      LYS  27   7.679  -4.456  -2.057
  203    H    ALA  28           H        ALA  28   3.701  -4.497  -8.474
  204    HA   ALA  28           HA       ALA  28   5.429  -6.138 -10.145
  205    HB1  ALA  28           1HB      ALA  28   3.255  -4.189 -10.918
  206    HB2  ALA  28           2HB      ALA  28   3.074  -5.936 -10.752
  207    HB3  ALA  28           3HB      ALA  28   4.106  -5.272 -12.020
  208    H    THR  29           H        THR  29   5.365  -3.040  -8.832
  209    HA   THR  29           HA       THR  29   7.714  -2.276 -10.395
  210    HB   THR  29           HB       THR  29   5.865  -1.198 -11.531
  211    HG1  THR  29           1HG      THR  29   7.917   0.027 -10.882
  212   HG21  THR  29          3HG2      THR  29   5.147   0.087  -8.894
  213   HG22  THR  29          1HG2      THR  29   4.282  -1.274  -9.621
  214   HG23  THR  29          2HG2      THR  29   4.318   0.293 -10.437
  215    H    SER  30           H        SER  30   6.400  -2.877  -7.529
  216    HA   SER  30           HA       SER  30   6.716  -2.352  -5.355
  217    HB2  SER  30           2HB      SER  30   9.076  -2.975  -6.217
  218    HB3  SER  30           1HB      SER  30   9.414  -1.248  -6.107
  219    HG   SER  30           HG       SER  30   9.488  -1.398  -4.007
  220    H    SER  31           H        SER  31   5.348  -0.415  -6.828
  221    HA   SER  31           HA       SER  31   6.105   2.023  -5.372
  222    HB2  SER  31           2HB      SER  31   5.044   1.970  -8.210
  223    HB3  SER  31           1HB      SER  31   5.524   3.397  -7.290
  224    HG   SER  31           HG       SER  31   7.274   1.262  -7.994
  225    H    CYS  32           H        CYS  32   4.237   3.476  -5.014
  226    HA   CYS  32           HA       CYS  32   1.973   1.785  -4.347
  227    HB2  CYS  32           2HB      CYS  32   3.138   4.243  -3.234
  228    HB3  CYS  32           1HB      CYS  32   1.373   4.169  -3.204
  229    H    LYS  33           H        LYS  33   0.051   1.892  -5.217
  230    HA   LYS  33           HA       LYS  33  -0.719   4.270  -6.784
  231    HB2  LYS  33           2HB      LYS  33  -0.611   2.157  -8.101
  232    HB3  LYS  33           1HB      LYS  33  -1.779   1.435  -7.021
  233    HG2  LYS  33           2HG      LYS  33  -2.838   2.085  -9.083
  234    HG3  LYS  33           1HG      LYS  33  -3.451   3.076  -7.765
  235    HD2  LYS  33           2HD      LYS  33  -1.243   4.002  -9.576
  236    HD3  LYS  33           1HD      LYS  33  -2.938   4.249  -9.971
  237    HE2  LYS  33           2HE      LYS  33  -3.132   5.368  -7.713
  238    HE3  LYS  33           1HE      LYS  33  -1.376   5.333  -7.644
  239    HZ1  LYS  33           3HZ      LYS  33  -2.193   7.446  -8.478
  240    HZ2  LYS  33           1HZ      LYS  33  -2.989   6.663  -9.757
  241    HZ3  LYS  33           2HZ      LYS  33  -1.291   6.640  -9.667
  242    H    THR  34           H        THR  34  -3.528   3.658  -6.709
  243    HA   THR  34           HA       THR  34  -3.969   4.017  -3.835
  244    HB   THR  34           HB       THR  34  -6.034   5.339  -4.616
  245    HG1  THR  34           1HG      THR  34  -6.099   5.820  -6.677
  246   HG21  THR  34          3HG2      THR  34  -3.276   6.517  -4.842
  247   HG22  THR  34          1HG2      THR  34  -4.158   6.222  -3.339
  248   HG23  THR  34          2HG2      THR  34  -4.770   7.398  -4.509
  249    H    PHE  35           H        PHE  35  -6.283   3.724  -3.180
  250    HA   PHE  35           HA       PHE  35  -7.961   1.924  -4.583
  251    HB2  PHE  35           2HB      PHE  35  -7.568  -0.125  -3.532
  252    HB3  PHE  35           1HB      PHE  35  -5.951   0.454  -3.897
  253    HD1  PHE  35           1HD      PHE  35  -5.498   2.347  -1.619
  254    HD2  PHE  35           2HD      PHE  35  -7.291  -1.521  -1.752
  255    HE1  PHE  35           1HE      PHE  35  -4.884   1.961   0.734
  256    HE2  PHE  35           2HE      PHE  35  -6.662  -1.898   0.593
  257    HZ   PHE  35           HZ       PHE  35  -5.457  -0.154   1.839
  258    H    ARG  36           H        ARG  36  -9.745   1.313  -3.345
  259    HA   ARG  36           HA       ARG  36 -10.773   3.529  -2.014
  260    HB2  ARG  36           2HB      ARG  36 -11.723   0.696  -2.234
  261    HB3  ARG  36           1HB      ARG  36 -12.731   2.040  -1.719
  262    HG2  ARG  36           2HG      ARG  36 -11.412   1.752  -4.410
  263    HG3  ARG  36           1HG      ARG  36 -13.114   1.439  -4.064
  264    HD2  ARG  36           2HD      ARG  36 -13.370   3.781  -3.369
  265    HD3  ARG  36           1HD      ARG  36 -11.682   4.073  -3.784
  266    HE   ARG  36           HE       ARG  36 -13.375   3.024  -5.905
  267   HH11  ARG  36          1HH1      ARG  36 -11.885   5.809  -4.401
  268   HH12  ARG  36          2HH1      ARG  36 -12.026   6.816  -5.808
  269   HH21  ARG  36          1HH2      ARG  36 -13.556   4.335  -7.772
  270   HH22  ARG  36          2HH2      ARG  36 -12.979   5.976  -7.727
  271    H    TYR  37           H        TYR  37  -9.071   0.811  -0.871
  272    HA   TYR  37           HA       TYR  37  -8.368   0.095   1.127
  273    HB2  TYR  37           2HB      TYR  37  -7.781   2.371   1.652
  274    HB3  TYR  37           1HB      TYR  37  -9.438   2.733   2.132
  275    HD1  TYR  37           1HD      TYR  37  -6.871   0.133   2.984
  276    HD2  TYR  37           2HD      TYR  37  -9.703   2.974   4.404
  277    HE1  TYR  37           1HE      TYR  37  -6.331  -0.490   5.301
  278    HE2  TYR  37           2HE      TYR  37  -9.164   2.363   6.722
  279    HH   TYR  37           HH       TYR  37  -6.471   0.565   7.598
  280    H    ARG  38           H        ARG  38 -11.613   1.303   1.058
  281    HA   ARG  38           HA       ARG  38 -13.606   0.384   1.544
  282    HB2  ARG  38           2HB      ARG  38 -11.907  -2.053   1.900
  283    HB3  ARG  38           1HB      ARG  38 -13.645  -2.089   2.160
  284    HG2  ARG  38           2HG      ARG  38 -13.455  -2.822  -0.013
  285    HG3  ARG  38           1HG      ARG  38 -13.760  -1.099  -0.237
  286    HD2  ARG  38           2HD      ARG  38 -11.406  -0.687  -0.578
  287    HD3  ARG  38           1HD      ARG  38 -11.025  -2.368  -0.211
  288    HE   ARG  38           HE       ARG  38 -12.856  -2.077  -2.406
  289   HH11  ARG  38          1HH1      ARG  38  -9.476  -2.070  -1.496
  290   HH12  ARG  38          2HH1      ARG  38  -8.910  -2.506  -3.080
  291   HH21  ARG  38          1HH2      ARG  38 -12.127  -2.671  -4.488
  292   HH22  ARG  38          2HH2      ARG  38 -10.421  -2.851  -4.773
  293    H    GLY  39           H        GLY  39 -11.585   1.346   3.730
  294    HA2  GLY  39           2HA      GLY  39 -12.012   2.043   5.891
  295    HA3  GLY  39           1HA      GLY  39 -13.553   1.200   5.815
  296    H    SER  40           H        SER  40 -12.780  -1.362   5.347
  297    HA   SER  40           HA       SER  40 -10.758  -2.208   7.200
  298    HB2  SER  40           2HB      SER  40 -12.871  -1.685   8.592
  299    HB3  SER  40           1HB      SER  40 -13.589  -3.085   7.797
  300    HG   SER  40           HG       SER  40 -11.923  -3.013   9.888
  301    H    GLY  41           H        GLY  41  -9.952  -3.165   5.349
  302    HA2  GLY  41           2HA      GLY  41 -10.627  -5.783   4.766
  303    HA3  GLY  41           1HA      GLY  41 -11.493  -4.802   3.594
  304    H    GLY  42           H        GLY  42  -9.249  -2.805   3.852
  305    HA2  GLY  42           2HA      GLY  42  -7.603  -3.824   1.735
  306    HA3  GLY  42           1HA      GLY  42  -7.427  -2.270   2.541
  307    H    ASN  43           H        ASN  43  -6.838  -5.721   2.891
  308    HA   ASN  43           HA       ASN  43  -5.125  -5.388   5.166
  309    HB2  ASN  43           2HB      ASN  43  -5.590  -7.803   3.407
  310    HB3  ASN  43           1HB      ASN  43  -4.721  -7.809   4.938
  311   HD21  ASN  43          1HD2      ASN  43  -6.560  -5.894   6.174
  312   HD22  ASN  43          2HD2      ASN  43  -7.999  -6.790   6.517
  313    H    GLY  44           H        GLY  44  -3.855  -3.748   3.889
  314    HA2  GLY  44           2HA      GLY  44  -1.411  -5.054   3.000
  315    HA3  GLY  44           1HA      GLY  44  -2.200  -4.010   1.824
  316    H    ASN  45           H        ASN  45  -1.983  -3.615   5.310
  317    HA   ASN  45           HA       ASN  45  -0.986  -2.104   6.668
  318    HB2  ASN  45           2HB      ASN  45   1.097  -2.638   5.465
  319    HB3  ASN  45           1HB      ASN  45   0.726  -1.390   4.281
  320   HD21  ASN  45          1HD2      ASN  45   2.602  -0.256   4.737
  321   HD22  ASN  45          2HD2      ASN  45   2.802   0.654   6.193
  322    H    ARG  46           H        ARG  46  -1.634  -0.782   3.441
  323    HA   ARG  46           HA       ARG  46  -2.789   1.038   2.741
  324    HB2  ARG  46           2HB      ARG  46  -4.555   0.745   4.278
  325    HB3  ARG  46           1HB      ARG  46  -3.552   1.213   5.650
  326    HG2  ARG  46           2HG      ARG  46  -3.431   3.489   4.312
  327    HG3  ARG  46           1HG      ARG  46  -4.948   2.887   3.639
  328    HD2  ARG  46           2HD      ARG  46  -5.580   4.151   5.514
  329    HD3  ARG  46           1HD      ARG  46  -5.656   2.473   6.053
  330    HE   ARG  46           HE       ARG  46  -3.256   4.099   6.585
  331   HH11  ARG  46          1HH1      ARG  46  -5.915   2.109   7.765
  332   HH12  ARG  46          2HH1      ARG  46  -5.392   2.196   9.420
  333   HH21  ARG  46          1HH2      ARG  46  -2.591   4.197   8.769
  334   HH22  ARG  46          2HH2      ARG  46  -3.528   3.374   9.988
  335    H    PHE  47           H        PHE  47  -2.059   2.934   2.106
  336    HA   PHE  47           HA       PHE  47  -0.163   4.368   3.839
  337    HB2  PHE  47           2HB      PHE  47   0.179   3.343   1.068
  338    HB3  PHE  47           1HB      PHE  47   0.882   4.908   1.429
  339    HD1  PHE  47           1HD      PHE  47   2.302   5.005   3.630
  340    HD2  PHE  47           2HD      PHE  47   1.426   1.455   1.459
  341    HE1  PHE  47           1HE      PHE  47   4.250   3.912   4.644
  342    HE2  PHE  47           2HE      PHE  47   3.379   0.354   2.470
  343    HZ   PHE  47           HZ       PHE  47   4.796   1.580   4.065
  344    H    LYS  48           H        LYS  48  -0.767   6.353   4.197
  345    HA   LYS  48           HA       LYS  48  -3.064   7.538   3.154
  346    HB2  LYS  48           2HB      LYS  48  -0.698   8.930   4.424
  347    HB3  LYS  48           1HB      LYS  48  -2.347   9.526   4.350
  348    HG2  LYS  48           2HG      LYS  48  -1.300   7.194   5.931
  349    HG3  LYS  48           1HG      LYS  48  -1.984   8.702   6.545
  350    HD2  LYS  48           2HD      LYS  48  -3.912   7.605   4.835
  351    HD3  LYS  48           1HD      LYS  48  -3.307   6.266   5.809
  352    HE2  LYS  48           2HE      LYS  48  -3.883   7.324   7.828
  353    HE3  LYS  48           1HE      LYS  48  -4.095   8.888   7.048
  354    HZ1  LYS  48           3HZ      LYS  48  -5.850   6.529   6.616
  355    HZ2  LYS  48           1HZ      LYS  48  -6.069   8.081   5.971
  356    HZ3  LYS  48           2HZ      LYS  48  -6.205   7.828   7.644
  357    H    THR  49           H        THR  49   0.335   8.196   2.428
  358    HA   THR  49           HA       THR  49  -0.522   9.300  -0.162
  359    HB   THR  49           HB       THR  49   1.475  10.832   0.005
  360    HG1  THR  49           1HG      THR  49   2.047  11.287   2.296
  361   HG21  THR  49          3HG2      THR  49   0.317  12.516   1.358
  362   HG22  THR  49          1HG2      THR  49  -0.739  11.263   2.009
  363   HG23  THR  49          2HG2      THR  49  -0.807  11.667   0.294
  364    H    LEU  50           H        LEU  50   0.986   8.976  -1.907
  365    HA   LEU  50           HA       LEU  50   2.390   6.502  -1.665
  366    HB2  LEU  50           2HB      LEU  50   1.640   6.498  -3.773
  367    HB3  LEU  50           1HB      LEU  50   1.484   8.239  -3.819
  368    HG   LEU  50           HG       LEU  50   2.876   7.361  -5.622
  369   HD11  LEU  50          1HD1      LEU  50   3.270   9.616  -4.428
  370   HD12  LEU  50          2HD1      LEU  50   4.442   9.025  -5.612
  371   HD13  LEU  50          3HD1      LEU  50   4.773   8.860  -3.887
  372   HD21  LEU  50          3HD2      LEU  50   3.802   5.416  -4.397
  373   HD22  LEU  50          1HD2      LEU  50   4.877   6.518  -3.528
  374   HD23  LEU  50          2HD2      LEU  50   5.009   6.346  -5.283
  375    H    GLU  51           H        GLU  51   3.199   9.840  -1.496
  376    HA   GLU  51           HA       GLU  51   5.973   9.580  -1.882
  377    HB2  GLU  51           2HB      GLU  51   6.116  11.738  -0.580
  378    HB3  GLU  51           1HB      GLU  51   5.071  11.772  -1.993
  379    HG2  GLU  51           2HG      GLU  51   3.120  11.544  -0.599
  380    HG3  GLU  51           1HG      GLU  51   4.129  11.397   0.837
  381    H    ASP  52           H        ASP  52   3.943   9.199   0.942
  382    HA   ASP  52           HA       ASP  52   6.043   8.797   2.835
  383    HB2  ASP  52           2HB      ASP  52   3.591   9.274   3.380
  384    HB3  ASP  52           1HB      ASP  52   3.258   7.609   2.926
  385    H    CYS  53           H        CYS  53   3.918   6.651   1.054
  386    HA   CYS  53           HA       CYS  53   4.950   4.189   1.693
  387    HB2  CYS  53           2HB      CYS  53   2.951   4.378   0.418
  388    HB3  CYS  53           1HB      CYS  53   3.784   5.230  -0.879
  389    H    GLU  54           H        GLU  54   5.866   6.201  -1.105
  390    HA   GLU  54           HA       GLU  54   7.869   4.454  -2.036
  391    HB2  GLU  54           2HB      GLU  54   8.487   6.178  -3.556
  392    HB3  GLU  54           1HB      GLU  54   6.746   6.274  -3.390
  393    HG2  GLU  54           2HG      GLU  54   6.946   8.174  -1.934
  394    HG3  GLU  54           1HG      GLU  54   8.698   8.012  -1.902
  395    H    ALA  55           H        ALA  55   7.858   7.040   0.286
  396    HA   ALA  55           HA       ALA  55  10.551   7.595   0.393
  397    HB1  ALA  55           1HB      ALA  55   8.429   7.609   2.529
  398    HB2  ALA  55           2HB      ALA  55   9.138   8.979   1.670
  399    HB3  ALA  55           3HB      ALA  55  10.094   8.096   2.859
  400    H    THR  56           H        THR  56   8.818   5.414   2.593
  401    HA   THR  56           HA       THR  56  11.187   4.181   3.514
  402    HB   THR  56           HB       THR  56   9.301   4.138   4.964
  403    HG1  THR  56           1HG      THR  56  10.147   2.297   5.545
  404   HG21  THR  56          3HG2      THR  56   7.830   2.545   2.861
  405   HG22  THR  56          1HG2      THR  56   7.523   4.230   3.278
  406   HG23  THR  56          2HG2      THR  56   7.224   2.961   4.464
  407    H    CYS  57           H        CYS  57   8.792   3.160   1.111
  408    HA   CYS  57           HA       CYS  57   9.970   0.543   0.903
  409    HB2  CYS  57           2HB      CYS  57   7.552   0.861   0.686
  410    HB3  CYS  57           1HB      CYS  57   7.797   1.864  -0.736
  411    H    VAL  58           H        VAL  58   9.698   3.339  -1.299
  412    HA   VAL  58           HA       VAL  58  11.028   1.993  -3.402
  413    HB   VAL  58           HB       VAL  58  10.200   4.856  -3.003
  414   HG11  VAL  58          1HG1      VAL  58  11.002   5.377  -5.249
  415   HG12  VAL  58          2HG1      VAL  58  11.733   3.776  -5.371
  416   HG13  VAL  58          3HG1      VAL  58  12.343   4.936  -4.189
  417   HG21  VAL  58          3HG2      VAL  58   9.450   2.706  -4.985
  418   HG22  VAL  58          1HG2      VAL  58   8.790   4.342  -4.953
  419   HG23  VAL  58          2HG2      VAL  58   8.491   3.243  -3.606
  420    H    THR  59           H        THR  59  12.218   4.144  -0.804
  421    HA   THR  59           HA       THR  59  14.784   4.424  -2.004
  422    HB   THR  59           HB       THR  59  15.605   5.124   0.176
  423    HG1  THR  59           1HG      THR  59  13.040   4.974   1.289
  424   HG21  THR  59          3HG2      THR  59  12.932   6.374  -0.437
  425   HG22  THR  59          1HG2      THR  59  14.416   6.699  -1.333
  426   HG23  THR  59          2HG2      THR  59  14.302   7.138   0.372
  427    H    ALA  60           H        ALA  60  13.554   2.294   0.510
  428    HA   ALA  60           HA       ALA  60  16.019   0.951   0.923
  429    HB1  ALA  60           1HB      ALA  60  14.284   1.087   2.637
  430    HB2  ALA  60           2HB      ALA  60  14.755  -0.582   2.310
  431    HB3  ALA  60           3HB      ALA  60  13.244   0.052   1.658
  432    H    GLU  61           H        GLU  61  13.468   0.499  -1.342
  433    HA   GLU  61           HA       GLU  61  13.169  -0.848  -3.121
  434    HB2  GLU  61           2HB      GLU  61  16.047  -1.556  -2.612
  435    HB3  GLU  61           1HB      GLU  61  15.159  -1.959  -4.075
  436    HG2  GLU  61           2HG      GLU  61  14.848   0.446  -4.501
  437    HG3  GLU  61           1HG      GLU  61  15.805   0.802  -3.065