Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
573081 | 2m5l RC | 19059 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 HA LYS 308 HA LYS 308 1.961 -13.762 -3.443
2 HB2 LYS 308 HB2 LYS 308 2.931 -14.744 -0.822
3 HB3 LYS 308 HB3 LYS 308 1.601 -13.591 -0.728
4 HG2 LYS 308 HG2 LYS 308 1.427 -15.836 -2.710
5 HG3 LYS 308 HG3 LYS 308 1.104 -16.175 -1.010
6 HD2 LYS 308 HD2 LYS 308 -0.211 -13.778 -2.218
7 HD3 LYS 308 HD3 LYS 308 -0.835 -15.366 -2.662
8 HE2 LYS 308 HE2 LYS 308 -1.234 -15.933 -0.328
9 HE3 LYS 308 HE3 LYS 308 -0.445 -14.436 0.208
10 HZ1 LYS 308 HZ1 LYS 308 -2.092 -13.230 -1.225
11 HZ2 LYS 308 HZ2 LYS 308 -2.758 -13.988 0.143
12 HZ3 LYS 308 HZ3 LYS 308 -2.933 -14.694 -1.393
13 H PHE 309 H PHE 309 0.917 -11.718 -2.918
14 HA PHE 309 HA PHE 309 2.779 -9.595 -1.898
15 HB2 PHE 309 HB2 PHE 309 2.359 -9.776 -4.433
16 HB3 PHE 309 HB3 PHE 309 0.712 -9.251 -4.083
17 HD1 PHE 309 HD1 PHE 309 4.296 -8.306 -3.594
18 HD2 PHE 309 HD2 PHE 309 0.219 -6.965 -3.760
19 HE1 PHE 309 HE2 PHE 309 5.066 -5.951 -3.491
20 HE2 PHE 309 HE1 PHE 309 0.989 -4.612 -3.661
21 HZ PHE 309 HZ PHE 309 3.412 -4.104 -3.526
22 HA PRO 310 HA PRO 310 -0.990 -9.362 0.654
23 HB2 PRO 310 HB2 PRO 310 0.267 -8.336 2.855
24 HB3 PRO 310 HB3 PRO 310 0.231 -10.071 2.486
25 HG2 PRO 310 HG2 PRO 310 2.414 -8.098 2.094
26 HG3 PRO 310 HG3 PRO 310 2.500 -9.806 2.551
27 HD2 PRO 310 HD2 PRO 310 3.015 -8.838 0.027
28 HD3 PRO 310 HD3 PRO 310 2.528 -10.509 0.386
29 H ARG 311 H ARG 311 -2.264 -7.508 1.149
30 HA ARG 311 HA ARG 311 -1.237 -4.936 0.054
31 HB2 ARG 311 HB2 ARG 311 -3.935 -6.123 0.720
32 HB3 ARG 311 HB3 ARG 311 -3.763 -4.401 0.377
33 HG2 ARG 311 HG2 ARG 311 -2.444 -6.248 -1.541
34 HG3 ARG 311 HG3 ARG 311 -4.207 -6.249 -1.554
35 HD2 ARG 311 HD2 ARG 311 -2.679 -3.641 -1.603
36 HD3 ARG 311 HD3 ARG 311 -3.006 -4.536 -3.099
37 HE ARG 311 HE ARG 311 -5.465 -4.506 -1.823
38 HH11 ARG 311 HH11 ARG 311 -4.628 -1.940 -0.545
39 HH12 ARG 311 HH12 ARG 311 -5.127 -0.763 -1.713
40 HH21 ARG 311 HH21 ARG 311 -5.477 -3.077 -4.284
41 HH22 ARG 311 HH22 ARG 311 -5.610 -1.410 -3.838
42 H ALA 312 H ALA 312 -0.122 -5.661 2.575
43 HA ALA 312 HA ALA 312 -1.620 -4.112 4.624
44 HB1 ALA 312 HB1 ALA 312 0.901 -5.807 4.682
45 HB2 ALA 312 HB2 ALA 312 -0.708 -6.313 5.198
46 HB3 ALA 312 HB3 ALA 312 0.159 -5.072 6.103
47 H MET 313 H MET 313 -1.187 -2.073 3.324
48 HA MET 313 HA MET 313 -0.017 -0.051 3.009
49 HB2 MET 313 HB2 MET 313 0.371 -1.015 5.617
50 HB3 MET 313 HB3 MET 313 1.981 -0.532 5.080
51 HG2 MET 313 HG2 MET 313 1.022 1.669 4.361
52 HG3 MET 313 HG3 MET 313 -0.521 1.182 5.062
53 HE1 MET 313 HE1 MET 313 2.170 3.762 6.854
54 HE2 MET 313 HE2 MET 313 0.417 3.900 6.741
55 HE3 MET 313 HE3 MET 313 1.357 3.502 5.305
56 HA PRO 314 HA PRO 314 3.400 -2.364 0.850
57 HB2 PRO 314 HB2 PRO 314 2.638 -1.707 -1.695
58 HB3 PRO 314 HB3 PRO 314 2.029 -3.136 -0.839
59 HG2 PRO 314 HG2 PRO 314 0.729 -0.507 -1.297
60 HG3 PRO 314 HG3 PRO 314 0.020 -2.127 -1.264
61 HD2 PRO 314 HD2 PRO 314 -0.144 -0.327 0.800
62 HD3 PRO 314 HD3 PRO 314 -0.272 -2.089 0.995
63 H ILE 315 H ILE 315 4.663 -1.212 -1.222
64 HA ILE 315 HA ILE 315 5.662 1.312 -0.124
65 HB ILE 315 HB ILE 315 6.354 0.045 -2.784
66 HG12 ILE 315 HG12 ILE 315 6.475 -1.769 -1.166
67 HG13 ILE 315 HG13 ILE 315 8.114 -1.234 -1.521
68 HG21 ILE 315 HG21 ILE 315 8.580 1.008 -2.278
69 HG22 ILE 315 HG22 ILE 315 7.945 1.659 -0.768
70 HG23 ILE 315 HG23 ILE 315 7.327 2.249 -2.310
71 HD11 ILE 315 HD11 ILE 315 6.543 -0.983 0.987
72 HD12 ILE 315 HD12 ILE 315 7.558 0.395 0.564
73 HD13 ILE 315 HD13 ILE 315 8.278 -1.202 0.764
74 H TRP 316 H TRP 316 4.089 0.338 -3.172
75 HA TRP 316 HA TRP 316 3.895 2.972 -4.278
76 HB2 TRP 316 HB2 TRP 316 2.415 1.905 -5.889
77 HB3 TRP 316 HB3 TRP 316 3.727 0.798 -5.506
78 HD1 TRP 316 HD1 TRP 316 3.151 -1.373 -4.092
79 HE1 TRP 316 HE1 TRP 316 0.919 -2.566 -3.596
80 HE3 TRP 316 HE3 TRP 316 -0.140 2.293 -5.445
81 HZ2 TRP 316 HZ2 TRP 316 -1.887 -2.039 -3.750
82 HZ3 TRP 316 HZ3 TRP 316 -2.582 1.921 -5.262
83 HH2 TRP 316 HH2 TRP 316 -3.459 -0.239 -4.417
84 H ALA 317 H ALA 317 1.805 1.227 -2.034
85 HA ALA 317 HA ALA 317 -0.133 3.514 -2.101
86 HB1 ALA 317 HB1 ALA 317 -0.698 0.980 -0.632
87 HB2 ALA 317 HB2 ALA 317 -0.590 0.864 -2.387
88 HB3 ALA 317 HB3 ALA 317 -1.766 1.948 -1.647
89 H ARG 318 H ARG 318 1.719 4.606 -0.809
90 HA ARG 318 HA ARG 318 1.362 3.995 2.104
91 HB2 ARG 318 HB2 ARG 318 3.567 3.336 0.851
92 HB3 ARG 318 HB3 ARG 318 3.913 5.063 0.914
93 HG2 ARG 318 HG2 ARG 318 4.887 4.292 2.900
94 HG3 ARG 318 HG3 ARG 318 3.303 4.837 3.448
95 HD2 ARG 318 HD2 ARG 318 2.662 2.728 4.015
96 HD3 ARG 318 HD3 ARG 318 3.301 2.045 2.508
97 HE ARG 318 HE ARG 318 4.812 2.391 5.019
98 HH11 ARG 318 HH11 ARG 318 4.949 -0.164 3.578
99 HH12 ARG 318 HH12 ARG 318 6.448 -0.052 2.721
100 HH21 ARG 318 HH21 ARG 318 6.677 3.402 3.048
101 HH22 ARG 318 HH22 ARG 318 7.431 1.981 2.413
102 HA PRO 319 HA PRO 319 0.262 8.332 1.957
103 HB2 PRO 319 HB2 PRO 319 -0.501 8.527 4.573
104 HB3 PRO 319 HB3 PRO 319 -1.529 7.807 3.320
105 HG2 PRO 319 HG2 PRO 319 0.120 6.490 5.403
106 HG3 PRO 319 HG3 PRO 319 -1.435 6.001 4.714
107 HD2 PRO 319 HD2 PRO 319 1.006 4.904 4.039
108 HD3 PRO 319 HD3 PRO 319 -0.454 4.837 3.028
109 H ASP 320 H ASP 320 2.224 6.902 4.549
110 HA ASP 320 HA ASP 320 3.698 9.486 4.875
111 HB2 ASP 320 HB2 ASP 320 3.425 7.009 6.614
112 HB3 ASP 320 HB3 ASP 320 4.389 8.422 7.041
113 H TYR 321 H TYR 321 4.296 7.852 2.583
114 HA TYR 321 HA TYR 321 6.370 5.965 2.851
115 HB2 TYR 321 HB2 TYR 321 5.170 6.489 0.769
116 HB3 TYR 321 HB3 TYR 321 5.905 8.091 0.733
117 HD1 TYR 321 HD1 TYR 321 6.918 4.483 1.003
118 HD2 TYR 321 HD2 TYR 321 7.841 8.388 -0.531
119 HE1 TYR 321 HE1 TYR 321 8.898 3.557 -0.163
120 HE2 TYR 321 HE2 TYR 321 9.822 7.460 -1.700
121 HH TYR 321 HH TYR 321 10.334 4.734 -2.563
122 H ASN 322 H ASN 322 8.397 6.148 3.638
123 HA ASN 322 HA ASN 322 9.536 8.609 4.591
124 HB2 ASN 322 HB2 ASN 322 11.419 7.186 5.149
125 HB3 ASN 322 HB3 ASN 322 9.951 6.245 5.400
126 HD21 ASN 322 HD21 ASN 322 9.556 4.427 3.966
127 HD22 ASN 322 HD22 ASN 322 10.711 3.897 2.842
128 HA PRO 323 HA PRO 323 11.553 10.133 0.982
129 HB2 PRO 323 HB2 PRO 323 13.763 11.325 2.074
130 HB3 PRO 323 HB3 PRO 323 12.128 12.001 2.219
131 HG2 PRO 323 HG2 PRO 323 13.717 10.449 4.196
132 HG3 PRO 323 HG3 PRO 323 12.628 11.822 4.450
133 HD2 PRO 323 HD2 PRO 323 11.943 9.226 4.954
134 HD3 PRO 323 HD3 PRO 323 10.771 10.496 4.542
135 HA PRO 324 HA PRO 324 14.416 6.713 0.342
136 HB2 PRO 324 HB2 PRO 324 14.388 6.836 -2.391
137 HB3 PRO 324 HB3 PRO 324 13.102 6.068 -1.443
138 HG2 PRO 324 HG2 PRO 324 13.153 8.723 -2.763
139 HG3 PRO 324 HG3 PRO 324 11.809 7.591 -2.550
140 HD2 PRO 324 HD2 PRO 324 12.203 9.858 -1.035
141 HD3 PRO 324 HD3 PRO 324 11.252 8.450 -0.520
142 H LEU 325 H LEU 325 16.330 6.643 -1.554
143 HA LEU 325 HA LEU 325 18.184 8.771 -0.771
144 HB2 LEU 325 HB2 LEU 325 18.255 6.306 -2.516
145 HB3 LEU 325 HB3 LEU 325 19.631 7.406 -2.447
146 HG LEU 325 HG LEU 325 18.381 6.327 0.077
147 HD11 LEU 325 HD11 LEU 325 20.524 5.049 -1.647
148 HD12 LEU 325 HD12 LEU 325 18.962 4.355 -1.210
149 HD13 LEU 325 HD13 LEU 325 20.199 4.589 0.026
150 HD21 LEU 325 HD21 LEU 325 20.806 6.687 0.823
151 HD22 LEU 325 HD22 LEU 325 19.886 8.147 0.456
152 HD23 LEU 325 HD23 LEU 325 21.050 7.520 -0.713
153 H LEU 326 H LEU 326 19.511 9.869 -2.567
154 HA LEU 326 HA LEU 326 17.728 11.345 -4.331
155 HB2 LEU 326 HB2 LEU 326 19.844 12.130 -3.117
156 HB3 LEU 326 HB3 LEU 326 20.758 11.258 -4.349
157 HG LEU 326 HG LEU 326 18.900 12.730 -5.819
158 HD11 LEU 326 HD11 LEU 326 18.318 14.050 -3.840
159 HD12 LEU 326 HD12 LEU 326 19.223 15.050 -4.976
160 HD13 LEU 326 HD13 LEU 326 20.022 14.398 -3.546
161 HD21 LEU 326 HD21 LEU 326 21.757 13.472 -5.102
162 HD22 LEU 326 HD22 LEU 326 20.872 14.009 -6.530
163 HD23 LEU 326 HD23 LEU 326 21.295 12.307 -6.344
164 H GLU 327 H GLU 327 16.876 10.102 -5.999
165 HA GLU 327 HA GLU 327 18.561 8.203 -7.504
166 HB2 GLU 327 HB2 GLU 327 15.680 9.135 -7.760
167 HB3 GLU 327 HB3 GLU 327 16.388 7.813 -8.688
168 HG2 GLU 327 HG2 GLU 327 16.798 6.528 -6.683
169 HG3 GLU 327 HG3 GLU 327 16.340 7.887 -5.658
Start of MODEL 2
1 HA LYS 308 HA LYS 308 11.699 -10.340 12.257
2 HB2 LYS 308 HB2 LYS 308 9.937 -12.654 11.615
3 HB3 LYS 308 HB3 LYS 308 11.068 -12.163 10.355
4 HG2 LYS 308 HG2 LYS 308 12.880 -12.189 12.155
5 HG3 LYS 308 HG3 LYS 308 11.709 -13.009 13.187
6 HD2 LYS 308 HD2 LYS 308 12.505 -13.994 10.433
7 HD3 LYS 308 HD3 LYS 308 13.238 -14.572 11.928
8 HE2 LYS 308 HE2 LYS 308 10.247 -14.685 11.399
9 HE3 LYS 308 HE3 LYS 308 11.350 -16.038 11.086
10 HZ1 LYS 308 HZ1 LYS 308 10.750 -14.721 13.671
11 HZ2 LYS 308 HZ2 LYS 308 12.163 -15.640 13.454
12 HZ3 LYS 308 HZ3 LYS 308 10.637 -16.365 13.278
13 H PHE 309 H PHE 309 8.620 -10.841 10.454
14 HA PHE 309 HA PHE 309 9.352 -8.466 8.767
15 HB2 PHE 309 HB2 PHE 309 7.861 -11.035 8.130
16 HB3 PHE 309 HB3 PHE 309 8.019 -9.687 7.006
17 HD1 PHE 309 HD1 PHE 309 10.458 -8.840 6.543
18 HD2 PHE 309 HD2 PHE 309 9.514 -12.698 8.180
19 HE1 PHE 309 HE2 PHE 309 12.684 -9.681 5.845
20 HE2 PHE 309 HE1 PHE 309 11.740 -13.538 7.482
21 HZ PHE 309 HZ PHE 309 13.325 -12.030 6.315
22 HA PRO 310 HA PRO 310 5.545 -7.097 10.787
23 HB2 PRO 310 HB2 PRO 310 5.829 -4.462 10.104
24 HB3 PRO 310 HB3 PRO 310 6.676 -5.203 11.475
25 HG2 PRO 310 HG2 PRO 310 7.683 -4.561 8.752
26 HG3 PRO 310 HG3 PRO 310 8.502 -4.440 10.317
27 HD2 PRO 310 HD2 PRO 310 8.909 -6.476 8.538
28 HD3 PRO 310 HD3 PRO 310 9.149 -6.631 10.292
29 H ARG 311 H ARG 311 3.485 -6.733 9.892
30 HA ARG 311 HA ARG 311 3.341 -6.662 6.906
31 HB2 ARG 311 HB2 ARG 311 2.324 -8.489 8.439
32 HB3 ARG 311 HB3 ARG 311 1.118 -7.273 8.861
33 HG2 ARG 311 HG2 ARG 311 1.536 -7.405 5.980
34 HG3 ARG 311 HG3 ARG 311 1.049 -8.968 6.636
35 HD2 ARG 311 HD2 ARG 311 -0.459 -6.630 7.683
36 HD3 ARG 311 HD3 ARG 311 -0.744 -7.033 5.979
37 HE ARG 311 HE ARG 311 -1.021 -9.022 8.208
38 HH11 ARG 311 HH11 ARG 311 -3.567 -7.942 7.277
39 HH12 ARG 311 HH12 ARG 311 -4.027 -9.016 6.000
40 HH21 ARG 311 HH21 ARG 311 -0.835 -10.342 5.615
41 HH22 ARG 311 HH22 ARG 311 -2.474 -10.381 5.055
42 H ALA 312 H ALA 312 3.053 -4.597 6.143
43 HA ALA 312 HA ALA 312 0.934 -2.904 7.397
44 HB1 ALA 312 HB1 ALA 312 3.282 -2.387 8.244
45 HB2 ALA 312 HB2 ALA 312 2.445 -1.025 7.499
46 HB3 ALA 312 HB3 ALA 312 3.683 -1.900 6.597
47 H MET 313 H MET 313 1.106 -0.700 5.785
48 HA MET 313 HA MET 313 -0.079 -1.496 3.314
49 HB2 MET 313 HB2 MET 313 1.180 1.036 4.382
50 HB3 MET 313 HB3 MET 313 0.480 0.980 2.765
51 HG2 MET 313 HG2 MET 313 -1.525 1.384 3.711
52 HG3 MET 313 HG3 MET 313 -1.438 -0.229 4.417
53 HE1 MET 313 HE1 MET 313 -2.799 0.263 6.599
54 HE2 MET 313 HE2 MET 313 -3.172 1.719 5.678
55 HE3 MET 313 HE3 MET 313 -2.730 1.851 7.379
56 HA PRO 314 HA PRO 314 3.398 -2.368 0.758
57 HB2 PRO 314 HB2 PRO 314 2.493 -1.523 -1.685
58 HB3 PRO 314 HB3 PRO 314 1.918 -3.001 -0.893
59 HG2 PRO 314 HG2 PRO 314 0.638 -0.323 -1.060
60 HG3 PRO 314 HG3 PRO 314 -0.097 -1.931 -1.136
61 HD2 PRO 314 HD2 PRO 314 -0.148 -0.349 1.087
62 HD3 PRO 314 HD3 PRO 314 -0.222 -2.125 1.138
63 H ILE 315 H ILE 315 4.597 -1.125 -1.267
64 HA ILE 315 HA ILE 315 5.567 1.411 -0.095
65 HB ILE 315 HB ILE 315 6.436 -0.122 -2.568
66 HG12 ILE 315 HG12 ILE 315 8.215 -0.422 -0.332
67 HG13 ILE 315 HG13 ILE 315 6.588 -0.872 0.180
68 HG21 ILE 315 HG21 ILE 315 8.664 1.069 -1.633
69 HG22 ILE 315 HG22 ILE 315 7.465 2.237 -1.072
70 HG23 ILE 315 HG23 ILE 315 7.585 1.850 -2.789
71 HD11 ILE 315 HD11 ILE 315 7.718 -2.828 -0.750
72 HD12 ILE 315 HD12 ILE 315 8.062 -1.947 -2.239
73 HD13 ILE 315 HD13 ILE 315 6.397 -2.345 -1.815
74 H TRP 316 H TRP 316 3.943 0.274 -3.031
75 HA TRP 316 HA TRP 316 3.924 2.861 -4.345
76 HB2 TRP 316 HB2 TRP 316 2.580 1.711 -5.991
77 HB3 TRP 316 HB3 TRP 316 3.793 0.570 -5.419
78 HD1 TRP 316 HD1 TRP 316 2.985 -1.499 -4.008
79 HE1 TRP 316 HE1 TRP 316 0.657 -2.518 -3.572
80 HE3 TRP 316 HE3 TRP 316 0.022 2.320 -5.659
81 HZ2 TRP 316 HZ2 TRP 316 -2.098 -1.810 -3.885
82 HZ3 TRP 316 HZ3 TRP 316 -2.446 2.120 -5.580
83 HH2 TRP 316 HH2 TRP 316 -3.508 0.063 -4.695
84 H ALA 317 H ALA 317 1.924 1.380 -1.910
85 HA ALA 317 HA ALA 317 -0.039 3.642 -2.185
86 HB1 ALA 317 HB1 ALA 317 -1.768 2.127 -1.746
87 HB2 ALA 317 HB2 ALA 317 -0.700 0.998 -0.914
88 HB3 ALA 317 HB3 ALA 317 -0.658 1.120 -2.671
89 H ARG 318 H ARG 318 1.818 4.563 -0.706
90 HA ARG 318 HA ARG 318 1.074 4.010 2.139
91 HB2 ARG 318 HB2 ARG 318 3.408 3.208 0.893
92 HB3 ARG 318 HB3 ARG 318 3.880 4.740 1.628
93 HG2 ARG 318 HG2 ARG 318 3.034 3.967 3.808
94 HG3 ARG 318 HG3 ARG 318 2.535 2.441 3.079
95 HD2 ARG 318 HD2 ARG 318 4.616 1.610 3.378
96 HD3 ARG 318 HD3 ARG 318 5.290 2.924 2.394
97 HE ARG 318 HE ARG 318 4.837 4.233 4.730
98 HH11 ARG 318 HH11 ARG 318 5.137 1.010 5.286
99 HH12 ARG 318 HH12 ARG 318 6.651 1.078 6.123
100 HH21 ARG 318 HH21 ARG 318 7.265 4.397 5.286
101 HH22 ARG 318 HH22 ARG 318 7.864 3.002 6.120
102 HA PRO 319 HA PRO 319 0.714 8.443 2.158
103 HB2 PRO 319 HB2 PRO 319 0.686 8.805 4.877
104 HB3 PRO 319 HB3 PRO 319 -0.719 8.215 3.965
105 HG2 PRO 319 HG2 PRO 319 1.279 6.687 5.562
106 HG3 PRO 319 HG3 PRO 319 -0.473 6.467 5.441
107 HD2 PRO 319 HD2 PRO 319 1.297 4.895 4.123
108 HD3 PRO 319 HD3 PRO 319 -0.324 5.264 3.491
109 H ASP 320 H ASP 320 3.092 6.757 4.141
110 HA ASP 320 HA ASP 320 4.957 9.090 3.980
111 HB2 ASP 320 HB2 ASP 320 4.504 6.777 5.842
112 HB3 ASP 320 HB3 ASP 320 6.125 7.465 5.741
113 H TYR 321 H TYR 321 4.559 7.577 1.636
114 HA TYR 321 HA TYR 321 6.158 5.341 1.119
115 HB2 TYR 321 HB2 TYR 321 4.620 6.172 -0.503
116 HB3 TYR 321 HB3 TYR 321 5.356 7.772 -0.494
117 HD1 TYR 321 HD1 TYR 321 6.696 4.270 -0.892
118 HD2 TYR 321 HD2 TYR 321 6.411 8.242 -2.504
119 HE1 TYR 321 HE2 TYR 321 8.172 3.617 -2.772
120 HE2 TYR 321 HE1 TYR 321 7.883 7.584 -4.385
121 HH TYR 321 HH TYR 321 8.435 4.629 -5.336
122 H ASN 322 H ASN 322 8.307 5.026 0.605
123 HA ASN 322 HA ASN 322 10.303 6.807 1.679
124 HB2 ASN 322 HB2 ASN 322 10.538 4.462 -0.242
125 HB3 ASN 322 HB3 ASN 322 11.842 5.117 0.747
126 HD21 ASN 322 HD21 ASN 322 9.125 2.946 0.748
127 HD22 ASN 322 HD22 ASN 322 9.202 2.516 2.388
128 HA PRO 323 HA PRO 323 11.186 9.381 -1.780
129 HB2 PRO 323 HB2 PRO 323 13.909 9.647 -1.618
130 HB3 PRO 323 HB3 PRO 323 12.788 10.438 -0.491
131 HG2 PRO 323 HG2 PRO 323 14.404 7.966 -0.129
132 HG3 PRO 323 HG3 PRO 323 14.040 9.257 1.028
133 HD2 PRO 323 HD2 PRO 323 12.769 6.846 1.018
134 HD3 PRO 323 HD3 PRO 323 12.022 8.347 1.609
135 HA PRO 324 HA PRO 324 12.189 6.320 -4.883
136 HB2 PRO 324 HB2 PRO 324 11.627 7.883 -7.059
137 HB3 PRO 324 HB3 PRO 324 10.374 7.110 -6.071
138 HG2 PRO 324 HG2 PRO 324 11.323 9.927 -6.059
139 HG3 PRO 324 HG3 PRO 324 9.685 9.286 -5.858
140 HD2 PRO 324 HD2 PRO 324 11.249 10.150 -3.787
141 HD3 PRO 324 HD3 PRO 324 9.959 8.939 -3.617
142 H LEU 325 H LEU 325 13.443 6.681 -7.201
143 HA LEU 325 HA LEU 325 15.543 7.066 -8.198
144 HB2 LEU 325 HB2 LEU 325 14.444 9.408 -7.856
145 HB3 LEU 325 HB3 LEU 325 15.625 9.601 -6.561
146 HG LEU 325 HG LEU 325 17.261 8.700 -8.513
147 HD11 LEU 325 HD11 LEU 325 15.568 8.532 -10.229
148 HD12 LEU 325 HD12 LEU 325 16.582 9.922 -10.615
149 HD13 LEU 325 HD13 LEU 325 14.992 10.165 -9.889
150 HD21 LEU 325 HD21 LEU 325 16.312 11.555 -8.111
151 HD22 LEU 325 HD22 LEU 325 17.806 11.100 -8.933
152 HD23 LEU 325 HD23 LEU 325 17.600 10.747 -7.217
153 H LEU 326 H LEU 326 16.058 5.237 -6.479
154 HA LEU 326 HA LEU 326 18.412 6.178 -4.888
155 HB2 LEU 326 HB2 LEU 326 17.634 4.748 -3.026
156 HB3 LEU 326 HB3 LEU 326 16.423 5.963 -3.429
157 HG LEU 326 HG LEU 326 16.138 3.451 -4.946
158 HD11 LEU 326 HD11 LEU 326 16.949 2.692 -2.654
159 HD12 LEU 326 HD12 LEU 326 15.362 2.090 -3.131
160 HD13 LEU 326 HD13 LEU 326 15.491 3.428 -1.989
161 HD21 LEU 326 HD21 LEU 326 13.804 3.836 -4.486
162 HD22 LEU 326 HD22 LEU 326 14.522 5.410 -4.823
163 HD23 LEU 326 HD23 LEU 326 14.187 4.932 -3.159
164 H GLU 327 H GLU 327 18.310 4.844 -7.497
165 HA GLU 327 HA GLU 327 19.592 2.226 -6.775
166 HB2 GLU 327 HB2 GLU 327 17.226 2.569 -8.094
167 HB3 GLU 327 HB3 GLU 327 18.353 2.568 -9.451
168 HG2 GLU 327 HG2 GLU 327 18.594 0.458 -7.323
169 HG3 GLU 327 HG3 GLU 327 17.374 0.288 -8.585
Start of MODEL 3
1 HA LYS 308 HA LYS 308 6.012 -10.315 11.216
2 HB2 LYS 308 HB2 LYS 308 6.170 -13.087 12.366
3 HB3 LYS 308 HB3 LYS 308 7.006 -12.752 10.851
4 HG2 LYS 308 HG2 LYS 308 8.457 -11.212 11.832
5 HG3 LYS 308 HG3 LYS 308 7.351 -10.863 13.160
6 HD2 LYS 308 HD2 LYS 308 8.879 -12.195 14.273
7 HD3 LYS 308 HD3 LYS 308 7.759 -13.437 13.711
8 HE2 LYS 308 HE2 LYS 308 9.260 -13.559 11.594
9 HE3 LYS 308 HE3 LYS 308 10.461 -12.697 12.575
10 HZ1 LYS 308 HZ1 LYS 308 10.644 -15.125 12.812
11 HZ2 LYS 308 HZ2 LYS 308 9.055 -15.184 13.408
12 HZ3 LYS 308 HZ3 LYS 308 10.266 -14.371 14.282
13 H PHE 309 H PHE 309 3.962 -9.901 9.929
14 HA PHE 309 HA PHE 309 3.729 -11.862 7.749
15 HB2 PHE 309 HB2 PHE 309 1.247 -12.072 8.098
16 HB3 PHE 309 HB3 PHE 309 2.188 -12.779 9.407
17 HD1 PHE 309 HD1 PHE 309 0.202 -9.795 8.397
18 HD2 PHE 309 HD2 PHE 309 2.062 -11.920 11.636
19 HE1 PHE 309 HE2 PHE 309 -0.953 -8.326 10.026
20 HE2 PHE 309 HE1 PHE 309 0.905 -10.450 13.264
21 HZ PHE 309 HZ PHE 309 -0.603 -8.653 12.459
22 HA PRO 310 HA PRO 310 2.801 -8.236 5.442
23 HB2 PRO 310 HB2 PRO 310 1.012 -9.150 3.579
24 HB3 PRO 310 HB3 PRO 310 2.741 -9.546 3.536
25 HG2 PRO 310 HG2 PRO 310 0.453 -11.177 4.521
26 HG3 PRO 310 HG3 PRO 310 1.878 -11.677 3.598
27 HD2 PRO 310 HD2 PRO 310 1.629 -12.075 6.272
28 HD3 PRO 310 HD3 PRO 310 3.196 -11.838 5.466
29 H ARG 311 H ARG 311 1.434 -6.493 5.778
30 HA ARG 311 HA ARG 311 -1.431 -7.015 6.461
31 HB2 ARG 311 HB2 ARG 311 -1.080 -5.299 8.332
32 HB3 ARG 311 HB3 ARG 311 -0.318 -6.869 8.580
33 HG2 ARG 311 HG2 ARG 311 1.836 -6.039 8.048
34 HG3 ARG 311 HG3 ARG 311 1.181 -4.587 7.290
35 HD2 ARG 311 HD2 ARG 311 0.169 -4.437 9.873
36 HD3 ARG 311 HD3 ARG 311 1.806 -5.077 10.112
37 HE ARG 311 HE ARG 311 1.140 -2.475 8.852
38 HH11 ARG 311 HH11 ARG 311 3.076 -2.649 11.097
39 HH12 ARG 311 HH12 ARG 311 4.606 -2.604 10.289
40 HH21 ARG 311 HH21 ARG 311 3.275 -3.388 7.173
41 HH22 ARG 311 HH22 ARG 311 4.718 -3.024 8.057
42 H ALA 312 H ALA 312 -0.931 -6.135 3.984
43 HA ALA 312 HA ALA 312 -1.353 -4.393 2.453
44 HB1 ALA 312 HB1 ALA 312 -3.114 -2.990 3.124
45 HB2 ALA 312 HB2 ALA 312 -2.505 -2.853 4.773
46 HB3 ALA 312 HB3 ALA 312 -3.281 -4.343 4.239
47 H MET 313 H MET 313 -1.395 -1.547 2.995
48 HA MET 313 HA MET 313 0.112 0.263 3.068
49 HB2 MET 313 HB2 MET 313 0.183 -1.213 5.474
50 HB3 MET 313 HB3 MET 313 1.866 -0.850 5.098
51 HG2 MET 313 HG2 MET 313 1.480 1.190 5.989
52 HG3 MET 313 HG3 MET 313 0.551 1.533 4.530
53 HE1 MET 313 HE1 MET 313 -1.590 1.283 4.108
54 HE2 MET 313 HE2 MET 313 -2.921 1.506 5.239
55 HE3 MET 313 HE3 MET 313 -2.362 -0.120 4.859
56 HA PRO 314 HA PRO 314 3.350 -2.326 0.866
57 HB2 PRO 314 HB2 PRO 314 2.641 -1.736 -1.707
58 HB3 PRO 314 HB3 PRO 314 1.974 -3.114 -0.814
59 HG2 PRO 314 HG2 PRO 314 0.758 -0.481 -1.414
60 HG3 PRO 314 HG3 PRO 314 -0.001 -2.072 -1.281
61 HD2 PRO 314 HD2 PRO 314 -0.073 -0.114 0.668
62 HD3 PRO 314 HD3 PRO 314 -0.352 -1.845 0.949
63 H ILE 315 H ILE 315 4.679 -1.265 -1.213
64 HA ILE 315 HA ILE 315 5.740 1.250 -0.180
65 HB ILE 315 HB ILE 315 6.308 -0.221 -2.774
66 HG12 ILE 315 HG12 ILE 315 6.606 -1.791 -0.958
67 HG13 ILE 315 HG13 ILE 315 8.206 -1.231 -1.439
68 HG21 ILE 315 HG21 ILE 315 7.934 1.737 -1.124
69 HG22 ILE 315 HG22 ILE 315 7.246 2.032 -2.721
70 HG23 ILE 315 HG23 ILE 315 8.545 0.856 -2.524
71 HD11 ILE 315 HD11 ILE 315 8.228 -1.105 0.927
72 HD12 ILE 315 HD12 ILE 315 6.598 -0.434 0.989
73 HD13 ILE 315 HD13 ILE 315 7.938 0.554 0.406
74 H TRP 316 H TRP 316 4.034 0.296 -3.149
75 HA TRP 316 HA TRP 316 3.903 2.945 -4.268
76 HB2 TRP 316 HB2 TRP 316 2.356 1.887 -5.856
77 HB3 TRP 316 HB3 TRP 316 3.725 0.826 -5.546
78 HD1 TRP 316 HD1 TRP 316 3.291 -1.400 -4.174
79 HE1 TRP 316 HE1 TRP 316 1.129 -2.691 -3.611
80 HE3 TRP 316 HE3 TRP 316 -0.191 2.173 -5.280
81 HZ2 TRP 316 HZ2 TRP 316 -1.700 -2.265 -3.625
82 HZ3 TRP 316 HZ3 TRP 316 -2.607 1.703 -4.997
83 HH2 TRP 316 HH2 TRP 316 -3.365 -0.507 -4.170
84 H ALA 317 H ALA 317 1.839 1.216 -2.000
85 HA ALA 317 HA ALA 317 -0.118 3.488 -2.063
86 HB1 ALA 317 HB1 ALA 317 -0.836 1.119 -0.502
87 HB2 ALA 317 HB2 ALA 317 -0.422 0.711 -2.166
88 HB3 ALA 317 HB3 ALA 317 -1.702 1.877 -1.838
89 H ARG 318 H ARG 318 1.629 4.669 -0.782
90 HA ARG 318 HA ARG 318 1.413 4.005 2.134
91 HB2 ARG 318 HB2 ARG 318 3.690 4.178 0.341
92 HB3 ARG 318 HB3 ARG 318 3.845 5.344 1.654
93 HG2 ARG 318 HG2 ARG 318 3.713 3.660 3.317
94 HG3 ARG 318 HG3 ARG 318 3.091 2.468 2.174
95 HD2 ARG 318 HD2 ARG 318 5.292 2.627 0.932
96 HD3 ARG 318 HD3 ARG 318 5.900 3.616 2.273
97 HE ARG 318 HE ARG 318 4.966 0.785 2.549
98 HH11 ARG 318 HH11 ARG 318 4.770 2.553 5.006
99 HH12 ARG 318 HH12 ARG 318 6.282 2.231 5.789
100 HH21 ARG 318 HH21 ARG 318 7.731 0.809 2.963
101 HH22 ARG 318 HH22 ARG 318 7.967 1.237 4.624
102 HA PRO 319 HA PRO 319 0.033 8.232 2.344
103 HB2 PRO 319 HB2 PRO 319 0.175 8.516 5.066
104 HB3 PRO 319 HB3 PRO 319 -1.131 7.630 4.253
105 HG2 PRO 319 HG2 PRO 319 1.296 6.585 5.623
106 HG3 PRO 319 HG3 PRO 319 -0.358 5.951 5.615
107 HD2 PRO 319 HD2 PRO 319 1.654 4.908 4.106
108 HD3 PRO 319 HD3 PRO 319 -0.060 4.836 3.639
109 H ASP 320 H ASP 320 2.852 7.165 4.217
110 HA ASP 320 HA ASP 320 4.145 9.839 3.834
111 HB2 ASP 320 HB2 ASP 320 4.626 7.532 5.756
112 HB3 ASP 320 HB3 ASP 320 5.615 8.991 5.704
113 H TYR 321 H TYR 321 3.985 7.985 1.649
114 HA TYR 321 HA TYR 321 6.186 6.227 1.336
115 HB2 TYR 321 HB2 TYR 321 4.154 6.371 -0.090
116 HB3 TYR 321 HB3 TYR 321 4.721 7.918 -0.716
117 HD1 TYR 321 HD1 TYR 321 6.874 4.985 0.074
118 HD2 TYR 321 HD2 TYR 321 5.028 7.333 -3.017
119 HE1 TYR 321 HE1 TYR 321 8.230 3.808 -1.630
120 HE2 TYR 321 HE2 TYR 321 6.387 6.152 -4.720
121 HH TYR 321 HH TYR 321 7.674 3.445 -4.483
122 H ASN 322 H ASN 322 8.319 6.606 1.016
123 HA ASN 322 HA ASN 322 9.399 9.318 0.970
124 HB2 ASN 322 HB2 ASN 322 10.624 6.557 0.622
125 HB3 ASN 322 HB3 ASN 322 11.556 8.039 0.823
126 HD21 ASN 322 HD21 ASN 322 9.943 5.521 2.536
127 HD22 ASN 322 HD22 ASN 322 10.022 6.220 4.080
128 HA PRO 323 HA PRO 323 9.605 9.840 -3.399
129 HB2 PRO 323 HB2 PRO 323 11.895 11.323 -3.652
130 HB3 PRO 323 HB3 PRO 323 10.376 11.985 -3.016
131 HG2 PRO 323 HG2 PRO 323 12.791 11.048 -1.550
132 HG3 PRO 323 HG3 PRO 323 11.746 12.440 -1.228
133 HD2 PRO 323 HD2 PRO 323 11.599 10.109 0.167
134 HD3 PRO 323 HD3 PRO 323 10.207 11.186 -0.083
135 HA PRO 324 HA PRO 324 12.393 6.404 -4.291
136 HB2 PRO 324 HB2 PRO 324 11.224 5.721 -6.670
137 HB3 PRO 324 HB3 PRO 324 10.566 5.240 -5.096
138 HG2 PRO 324 HG2 PRO 324 9.694 7.405 -6.929
139 HG3 PRO 324 HG3 PRO 324 8.729 6.350 -5.886
140 HD2 PRO 324 HD2 PRO 324 9.361 8.957 -5.295
141 HD3 PRO 324 HD3 PRO 324 8.946 7.725 -4.086
142 H LEU 325 H LEU 325 13.363 5.818 -6.729
143 HA LEU 325 HA LEU 325 14.127 8.308 -8.160
144 HB2 LEU 325 HB2 LEU 325 15.608 7.517 -6.044
145 HB3 LEU 325 HB3 LEU 325 16.355 6.524 -7.294
146 HG LEU 325 HG LEU 325 16.034 9.083 -8.442
147 HD11 LEU 325 HD11 LEU 325 17.408 9.310 -5.755
148 HD12 LEU 325 HD12 LEU 325 15.734 9.803 -6.009
149 HD13 LEU 325 HD13 LEU 325 17.033 10.605 -6.892
150 HD21 LEU 325 HD21 LEU 325 17.864 7.438 -8.827
151 HD22 LEU 325 HD22 LEU 325 18.500 7.795 -7.222
152 HD23 LEU 325 HD23 LEU 325 18.489 9.046 -8.465
153 H LEU 326 H LEU 326 12.556 6.134 -9.104
154 HA LEU 326 HA LEU 326 14.244 5.194 -11.345
155 HB2 LEU 326 HB2 LEU 326 14.397 3.620 -9.297
156 HB3 LEU 326 HB3 LEU 326 12.720 3.203 -9.653
157 HG LEU 326 HG LEU 326 13.592 2.802 -12.084
158 HD11 LEU 326 HD11 LEU 326 15.824 3.751 -11.751
159 HD12 LEU 326 HD12 LEU 326 15.960 2.030 -12.112
160 HD13 LEU 326 HD13 LEU 326 16.142 2.602 -10.453
161 HD21 LEU 326 HD21 LEU 326 14.323 0.951 -9.791
162 HD22 LEU 326 HD22 LEU 326 14.177 0.467 -11.481
163 HD23 LEU 326 HD23 LEU 326 12.757 1.027 -10.598
164 H GLU 327 H GLU 327 13.006 4.978 -13.199
165 HA GLU 327 HA GLU 327 10.060 5.410 -12.933
166 HB2 GLU 327 HB2 GLU 327 12.118 5.839 -15.114
167 HB3 GLU 327 HB3 GLU 327 10.387 5.977 -15.420
168 HG2 GLU 327 HG2 GLU 327 10.173 7.901 -14.167
169 HG3 GLU 327 HG3 GLU 327 11.483 7.459 -13.071
Start of MODEL 4
1 HA LYS 308 HA LYS 308 14.388 -3.480 7.331
2 HB2 LYS 308 HB2 LYS 308 15.531 -2.643 9.381
3 HB3 LYS 308 HB3 LYS 308 16.493 -2.358 7.932
4 HG2 LYS 308 HG2 LYS 308 16.433 -0.120 8.234
5 HG3 LYS 308 HG3 LYS 308 14.685 -0.131 8.461
6 HD2 LYS 308 HD2 LYS 308 14.997 0.236 10.657
7 HD3 LYS 308 HD3 LYS 308 15.807 -1.326 10.775
8 HE2 LYS 308 HE2 LYS 308 17.934 -0.147 9.975
9 HE3 LYS 308 HE3 LYS 308 17.073 1.379 10.252
10 HZ1 LYS 308 HZ1 LYS 308 16.700 0.813 12.509
11 HZ2 LYS 308 HZ2 LYS 308 18.348 0.522 12.217
12 HZ3 LYS 308 HZ3 LYS 308 17.254 -0.776 12.287
13 H PHE 309 H PHE 309 12.816 -3.962 8.911
14 HA PHE 309 HA PHE 309 10.791 -3.730 10.092
15 HB2 PHE 309 HB2 PHE 309 12.570 -1.679 10.817
16 HB3 PHE 309 HB3 PHE 309 11.023 -0.867 10.579
17 HD1 PHE 309 HD1 PHE 309 8.954 -1.825 11.744
18 HD2 PHE 309 HD2 PHE 309 12.966 -2.997 12.741
19 HE1 PHE 309 HE1 PHE 309 8.158 -2.708 13.920
20 HE2 PHE 309 HE2 PHE 309 12.168 -3.879 14.916
21 HZ PHE 309 HZ PHE 309 9.764 -3.734 15.506
22 HA PRO 310 HA PRO 310 8.743 -1.879 6.394
23 HB2 PRO 310 HB2 PRO 310 7.038 -3.979 5.971
24 HB3 PRO 310 HB3 PRO 310 8.686 -3.923 5.314
25 HG2 PRO 310 HG2 PRO 310 7.643 -5.382 7.687
26 HG3 PRO 310 HG3 PRO 310 8.855 -5.880 6.496
27 HD2 PRO 310 HD2 PRO 310 9.466 -4.956 8.997
28 HD3 PRO 310 HD3 PRO 310 10.557 -4.829 7.600
29 H ARG 311 H ARG 311 6.582 -0.986 6.310
30 HA ARG 311 HA ARG 311 5.211 -0.912 8.950
31 HB2 ARG 311 HB2 ARG 311 5.467 0.792 6.519
32 HB3 ARG 311 HB3 ARG 311 3.935 0.900 7.386
33 HG2 ARG 311 HG2 ARG 311 5.006 2.380 8.730
34 HG3 ARG 311 HG3 ARG 311 5.767 0.959 9.446
35 HD2 ARG 311 HD2 ARG 311 7.617 1.155 7.753
36 HD3 ARG 311 HD3 ARG 311 6.889 2.679 7.207
37 HE ARG 311 HE ARG 311 7.102 3.401 9.680
38 HH11 ARG 311 HH11 ARG 311 9.693 3.656 8.228
39 HH12 ARG 311 HH12 ARG 311 10.787 2.790 9.253
40 HH21 ARG 311 HH21 ARG 311 8.270 1.153 11.003
41 HH22 ARG 311 HH22 ARG 311 9.978 1.372 10.832
42 H ALA 312 H ALA 312 2.619 -0.464 8.392
43 HA ALA 312 HA ALA 312 1.690 -3.048 7.290
44 HB1 ALA 312 HB1 ALA 312 -0.471 -2.245 8.275
45 HB2 ALA 312 HB2 ALA 312 0.323 -0.726 8.690
46 HB3 ALA 312 HB3 ALA 312 0.856 -2.232 9.437
47 H MET 313 H MET 313 2.738 -1.150 5.331
48 HA MET 313 HA MET 313 0.325 -0.884 3.611
49 HB2 MET 313 HB2 MET 313 2.088 1.291 4.692
50 HB3 MET 313 HB3 MET 313 1.464 1.468 3.054
51 HG2 MET 313 HG2 MET 313 -0.304 0.847 5.432
52 HG3 MET 313 HG3 MET 313 0.011 2.487 4.868
53 HE1 MET 313 HE1 MET 313 -3.526 0.498 3.884
54 HE2 MET 313 HE2 MET 313 -2.555 0.826 5.317
55 HE3 MET 313 HE3 MET 313 -2.280 -0.650 4.395
56 HA PRO 314 HA PRO 314 3.204 -2.334 0.603
57 HB2 PRO 314 HB2 PRO 314 2.121 -1.303 -1.692
58 HB3 PRO 314 HB3 PRO 314 1.430 -2.685 -0.822
59 HG2 PRO 314 HG2 PRO 314 0.608 0.174 -0.792
60 HG3 PRO 314 HG3 PRO 314 -0.396 -1.284 -0.792
61 HD2 PRO 314 HD2 PRO 314 0.090 0.185 1.441
62 HD3 PRO 314 HD3 PRO 314 -0.216 -1.565 1.477
63 H ILE 315 H ILE 315 4.594 -1.464 -1.284
64 HA ILE 315 HA ILE 315 5.962 0.966 -0.384
65 HB ILE 315 HB ILE 315 6.922 -1.251 -1.294
66 HG12 ILE 315 HG12 ILE 315 8.849 -0.119 -2.277
67 HG13 ILE 315 HG13 ILE 315 7.886 1.329 -2.570
68 HG21 ILE 315 HG21 ILE 315 7.070 -1.540 -3.654
69 HG22 ILE 315 HG22 ILE 315 6.453 0.082 -3.966
70 HG23 ILE 315 HG23 ILE 315 5.377 -1.162 -3.332
71 HD11 ILE 315 HD11 ILE 315 9.368 1.321 -0.465
72 HD12 ILE 315 HD12 ILE 315 8.203 0.176 0.201
73 HD13 ILE 315 HD13 ILE 315 7.684 1.798 -0.257
74 H TRP 316 H TRP 316 3.483 0.308 -2.650
75 HA TRP 316 HA TRP 316 4.019 2.839 -4.144
76 HB2 TRP 316 HB2 TRP 316 2.532 1.801 -5.849
77 HB3 TRP 316 HB3 TRP 316 3.901 0.762 -5.457
78 HD1 TRP 316 HD1 TRP 316 3.432 -1.479 -4.156
79 HE1 TRP 316 HE1 TRP 316 1.260 -2.777 -3.633
80 HE3 TRP 316 HE3 TRP 316 -0.030 2.095 -5.298
81 HZ2 TRP 316 HZ2 TRP 316 -1.572 -2.345 -3.687
82 HZ3 TRP 316 HZ3 TRP 316 -2.450 1.633 -5.050
83 HH2 TRP 316 HH2 TRP 316 -3.224 -0.577 -4.245
84 H ALA 317 H ALA 317 1.974 1.496 -1.746
85 HA ALA 317 HA ALA 317 0.009 3.725 -2.155
86 HB1 ALA 317 HB1 ALA 317 -1.604 2.158 -2.323
87 HB2 ALA 317 HB2 ALA 317 -1.131 1.474 -0.769
88 HB3 ALA 317 HB3 ALA 317 -0.363 0.907 -2.251
89 H ARG 318 H ARG 318 1.666 4.759 -0.613
90 HA ARG 318 HA ARG 318 1.025 4.033 2.230
91 HB2 ARG 318 HB2 ARG 318 3.546 4.431 0.739
92 HB3 ARG 318 HB3 ARG 318 3.477 5.293 2.275
93 HG2 ARG 318 HG2 ARG 318 3.097 3.280 3.499
94 HG3 ARG 318 HG3 ARG 318 2.764 2.364 2.028
95 HD2 ARG 318 HD2 ARG 318 5.034 2.338 1.378
96 HD3 ARG 318 HD3 ARG 318 5.443 3.707 2.429
97 HE ARG 318 HE ARG 318 4.517 1.821 4.214
98 HH11 ARG 318 HH11 ARG 318 7.473 2.680 3.348
99 HH12 ARG 318 HH12 ARG 318 8.208 1.112 3.347
100 HH21 ARG 318 HH21 ARG 318 5.176 -0.595 3.474
101 HH22 ARG 318 HH22 ARG 318 6.900 -0.750 3.413
102 HA PRO 319 HA PRO 319 -0.147 8.263 2.765
103 HB2 PRO 319 HB2 PRO 319 0.866 8.830 5.252
104 HB3 PRO 319 HB3 PRO 319 -0.572 7.819 5.001
105 HG2 PRO 319 HG2 PRO 319 2.253 7.000 5.513
106 HG3 PRO 319 HG3 PRO 319 0.750 6.334 6.173
107 HD2 PRO 319 HD2 PRO 319 2.101 5.135 4.169
108 HD3 PRO 319 HD3 PRO 319 0.328 5.067 4.296
109 H ASP 320 H ASP 320 3.192 7.442 3.552
110 HA ASP 320 HA ASP 320 4.122 10.118 2.584
111 HB2 ASP 320 HB2 ASP 320 4.595 8.980 4.953
112 HB3 ASP 320 HB3 ASP 320 5.842 8.129 4.039
113 H TYR 321 H TYR 321 3.292 8.109 0.725
114 HA TYR 321 HA TYR 321 4.937 6.222 -0.340
115 HB2 TYR 321 HB2 TYR 321 2.840 6.946 -1.339
116 HB3 TYR 321 HB3 TYR 321 3.540 8.507 -1.764
117 HD1 TYR 321 HD1 TYR 321 4.683 4.940 -2.114
118 HD2 TYR 321 HD2 TYR 321 3.900 8.691 -4.056
119 HE1 TYR 321 HE1 TYR 321 5.489 3.999 -4.260
120 HE2 TYR 321 HE2 TYR 321 4.706 7.747 -6.203
121 HH TYR 321 HH TYR 321 4.890 4.743 -6.929
122 H ASN 322 H ASN 322 7.078 6.153 -0.734
123 HA ASN 322 HA ASN 322 8.827 8.422 -0.803
124 HB2 ASN 322 HB2 ASN 322 10.508 6.756 -1.364
125 HB3 ASN 322 HB3 ASN 322 9.378 6.030 -0.223
126 HD21 ASN 322 HD21 ASN 322 8.048 4.267 -0.979
127 HD22 ASN 322 HD22 ASN 322 8.223 3.590 -2.525
128 HA PRO 323 HA PRO 323 8.494 9.722 -5.000
129 HB2 PRO 323 HB2 PRO 323 10.996 10.752 -5.405
130 HB3 PRO 323 HB3 PRO 323 9.769 11.558 -4.407
131 HG2 PRO 323 HG2 PRO 323 12.113 9.931 -3.576
132 HG3 PRO 323 HG3 PRO 323 11.419 11.377 -2.829
133 HD2 PRO 323 HD2 PRO 323 11.017 8.830 -1.905
134 HD3 PRO 323 HD3 PRO 323 9.894 10.179 -1.628
135 HA PRO 324 HA PRO 324 10.310 6.071 -6.923
136 HB2 PRO 324 HB2 PRO 324 8.725 6.117 -9.151
137 HB3 PRO 324 HB3 PRO 324 8.185 5.472 -7.590
138 HG2 PRO 324 HG2 PRO 324 7.581 8.078 -8.872
139 HG3 PRO 324 HG3 PRO 324 6.557 7.052 -7.858
140 HD2 PRO 324 HD2 PRO 324 7.846 9.327 -6.991
141 HD3 PRO 324 HD3 PRO 324 7.303 8.007 -5.934
142 H LEU 325 H LEU 325 11.007 5.724 -9.386
143 HA LEU 325 HA LEU 325 12.207 8.271 -10.433
144 HB2 LEU 325 HB2 LEU 325 13.418 5.590 -9.776
145 HB3 LEU 325 HB3 LEU 325 14.160 6.613 -11.006
146 HG LEU 325 HG LEU 325 13.654 8.373 -8.903
147 HD11 LEU 325 HD11 LEU 325 14.710 7.246 -6.953
148 HD12 LEU 325 HD12 LEU 325 14.697 5.726 -7.846
149 HD13 LEU 325 HD13 LEU 325 13.176 6.498 -7.399
150 HD21 LEU 325 HD21 LEU 325 15.649 8.442 -10.265
151 HD22 LEU 325 HD22 LEU 325 16.146 6.844 -9.710
152 HD23 LEU 325 HD23 LEU 325 16.162 8.210 -8.595
153 H LEU 326 H LEU 326 12.146 8.475 -12.670
154 HA LEU 326 HA LEU 326 11.568 8.021 -14.907
155 HB2 LEU 326 HB2 LEU 326 13.212 6.095 -14.180
156 HB3 LEU 326 HB3 LEU 326 11.766 5.089 -14.249
157 HG LEU 326 HG LEU 326 11.484 6.369 -16.596
158 HD11 LEU 326 HD11 LEU 326 13.519 7.706 -16.351
159 HD12 LEU 326 HD12 LEU 326 13.732 6.545 -17.661
160 HD13 LEU 326 HD13 LEU 326 14.475 6.247 -16.089
161 HD21 LEU 326 HD21 LEU 326 13.233 3.959 -16.013
162 HD22 LEU 326 HD22 LEU 326 12.666 4.394 -17.626
163 HD23 LEU 326 HD23 LEU 326 11.507 3.954 -16.371
164 H GLU 327 H GLU 327 9.362 8.756 -14.527
165 HA GLU 327 HA GLU 327 7.334 6.613 -14.036
166 HB2 GLU 327 HB2 GLU 327 7.564 9.558 -13.632
167 HB3 GLU 327 HB3 GLU 327 5.958 8.941 -14.018
168 HG2 GLU 327 HG2 GLU 327 5.864 8.620 -11.751
169 HG3 GLU 327 HG3 GLU 327 6.695 7.120 -12.161
Start of MODEL 5
1 HA LYS 308 HA LYS 308 11.383 -6.012 10.810
2 HB2 LYS 308 HB2 LYS 308 11.277 -7.613 12.753
3 HB3 LYS 308 HB3 LYS 308 9.577 -7.890 12.371
4 HG2 LYS 308 HG2 LYS 308 10.121 -8.807 10.219
5 HG3 LYS 308 HG3 LYS 308 11.803 -8.295 10.359
6 HD2 LYS 308 HD2 LYS 308 12.027 -9.804 12.358
7 HD3 LYS 308 HD3 LYS 308 10.403 -10.405 12.023
8 HE2 LYS 308 HE2 LYS 308 11.187 -11.049 9.712
9 HE3 LYS 308 HE3 LYS 308 12.833 -10.619 10.211
10 HZ1 LYS 308 HZ1 LYS 308 12.416 -12.961 10.627
11 HZ2 LYS 308 HZ2 LYS 308 11.054 -12.582 11.568
12 HZ3 LYS 308 HZ3 LYS 308 12.608 -12.137 12.098
13 H PHE 309 H PHE 309 7.956 -6.563 11.776
14 HA PHE 309 HA PHE 309 7.192 -6.304 8.888
15 HB2 PHE 309 HB2 PHE 309 5.853 -7.593 11.293
16 HB3 PHE 309 HB3 PHE 309 5.147 -7.538 9.677
17 HD1 PHE 309 HD1 PHE 309 6.749 -8.389 7.731
18 HD2 PHE 309 HD2 PHE 309 7.151 -9.445 11.876
19 HE1 PHE 309 HE2 PHE 309 8.051 -10.400 7.093
20 HE2 PHE 309 HE1 PHE 309 8.452 -11.456 11.236
21 HZ PHE 309 HZ PHE 309 8.903 -11.934 8.844
22 HA PRO 310 HA PRO 310 5.494 -2.464 10.599
23 HB2 PRO 310 HB2 PRO 310 5.573 -1.064 8.253
24 HB3 PRO 310 HB3 PRO 310 6.988 -1.270 9.302
25 HG2 PRO 310 HG2 PRO 310 6.324 -2.595 6.747
26 HG3 PRO 310 HG3 PRO 310 7.902 -2.209 7.448
27 HD2 PRO 310 HD2 PRO 310 6.670 -4.720 7.436
28 HD3 PRO 310 HD3 PRO 310 8.062 -4.239 8.427
29 H ARG 311 H ARG 311 3.607 -4.292 10.444
30 HA ARG 311 HA ARG 311 1.355 -4.735 9.903
31 HB2 ARG 311 HB2 ARG 311 1.763 -1.809 9.285
32 HB3 ARG 311 HB3 ARG 311 0.188 -2.563 9.058
33 HG2 ARG 311 HG2 ARG 311 0.244 -3.337 11.422
34 HG3 ARG 311 HG3 ARG 311 1.781 -2.501 11.637
35 HD2 ARG 311 HD2 ARG 311 0.082 -0.996 12.449
36 HD3 ARG 311 HD3 ARG 311 0.560 -0.372 10.857
37 HE ARG 311 HE ARG 311 -1.515 -1.160 9.954
38 HH11 ARG 311 HH11 ARG 311 -2.741 -0.199 12.463
39 HH12 ARG 311 HH12 ARG 311 -3.594 -1.590 13.040
40 HH21 ARG 311 HH21 ARG 311 -1.857 -3.817 11.015
41 HH22 ARG 311 HH22 ARG 311 -3.091 -3.647 12.217
42 H ALA 312 H ALA 312 -0.272 -3.988 7.800
43 HA ALA 312 HA ALA 312 1.108 -5.249 5.482
44 HB1 ALA 312 HB1 ALA 312 -1.815 -4.621 6.029
45 HB2 ALA 312 HB2 ALA 312 -1.027 -6.156 6.396
46 HB3 ALA 312 HB3 ALA 312 -1.203 -5.633 4.721
47 H MET 313 H MET 313 2.272 -3.044 5.235
48 HA MET 313 HA MET 313 0.558 -1.134 3.675
49 HB2 MET 313 HB2 MET 313 2.405 -0.844 5.898
50 HB3 MET 313 HB3 MET 313 2.929 0.135 4.527
51 HG2 MET 313 HG2 MET 313 0.967 1.405 4.512
52 HG3 MET 313 HG3 MET 313 0.039 0.164 5.353
53 HE1 MET 313 HE1 MET 313 0.854 0.396 8.961
54 HE2 MET 313 HE2 MET 313 0.766 -0.737 7.615
55 HE3 MET 313 HE3 MET 313 -0.547 0.408 7.880
56 HA PRO 314 HA PRO 314 3.321 -2.550 0.444
57 HB2 PRO 314 HB2 PRO 314 2.110 -1.192 -1.596
58 HB3 PRO 314 HB3 PRO 314 1.481 -2.709 -0.931
59 HG2 PRO 314 HG2 PRO 314 0.587 0.081 -0.459
60 HG3 PRO 314 HG3 PRO 314 -0.366 -1.406 -0.568
61 HD2 PRO 314 HD2 PRO 314 0.294 -0.155 1.787
62 HD3 PRO 314 HD3 PRO 314 -0.104 -1.882 1.644
63 H ILE 315 H ILE 315 4.489 -1.286 -1.432
64 HA ILE 315 HA ILE 315 5.672 1.176 -0.227
65 HB ILE 315 HB ILE 315 6.731 -0.320 -2.620
66 HG12 ILE 315 HG12 ILE 315 6.216 -2.048 -0.915
67 HG13 ILE 315 HG13 ILE 315 7.952 -1.836 -1.103
68 HG21 ILE 315 HG21 ILE 315 7.823 1.774 -1.931
69 HG22 ILE 315 HG22 ILE 315 8.892 0.400 -1.656
70 HG23 ILE 315 HG23 ILE 315 8.038 1.137 -0.300
71 HD11 ILE 315 HD11 ILE 315 7.035 -1.946 1.307
72 HD12 ILE 315 HD12 ILE 315 6.406 -0.327 1.006
73 HD13 ILE 315 HD13 ILE 315 8.142 -0.627 0.927
74 H TRP 316 H TRP 316 3.406 0.331 -2.573
75 HA TRP 316 HA TRP 316 4.005 2.710 -4.274
76 HB2 TRP 316 HB2 TRP 316 2.597 1.578 -5.927
77 HB3 TRP 316 HB3 TRP 316 3.797 0.442 -5.316
78 HD1 TRP 316 HD1 TRP 316 2.966 -1.590 -3.882
79 HE1 TRP 316 HE1 TRP 316 0.624 -2.555 -3.389
80 HE3 TRP 316 HE3 TRP 316 0.053 2.253 -5.564
81 HZ2 TRP 316 HZ2 TRP 316 -2.122 -1.796 -3.673
82 HZ3 TRP 316 HZ3 TRP 316 -2.417 2.108 -5.443
83 HH2 TRP 316 HH2 TRP 316 -3.506 0.094 -4.500
84 H ALA 317 H ALA 317 1.913 1.617 -1.788
85 HA ALA 317 HA ALA 317 0.074 3.937 -2.262
86 HB1 ALA 317 HB1 ALA 317 -1.473 2.026 -1.016
87 HB2 ALA 317 HB2 ALA 317 -0.437 1.036 -2.044
88 HB3 ALA 317 HB3 ALA 317 -1.440 2.299 -2.757
89 H ARG 318 H ARG 318 1.724 4.865 -0.646
90 HA ARG 318 HA ARG 318 1.002 4.037 2.146
91 HB2 ARG 318 HB2 ARG 318 3.359 4.572 2.721
92 HB3 ARG 318 HB3 ARG 318 3.257 3.309 1.498
93 HG2 ARG 318 HG2 ARG 318 3.317 5.913 0.231
94 HG3 ARG 318 HG3 ARG 318 4.687 5.738 1.324
95 HD2 ARG 318 HD2 ARG 318 5.255 3.570 0.239
96 HD3 ARG 318 HD3 ARG 318 3.915 3.815 -0.898
97 HE ARG 318 HE ARG 318 6.439 5.337 -0.861
98 HH11 ARG 318 HH11 ARG 318 4.775 4.238 -3.239
99 HH12 ARG 318 HH12 ARG 318 4.244 5.723 -3.957
100 HH21 ARG 318 HH21 ARG 318 5.058 7.661 -1.187
101 HH22 ARG 318 HH22 ARG 318 4.407 7.667 -2.792
102 HA PRO 319 HA PRO 319 -0.111 8.382 2.257
103 HB2 PRO 319 HB2 PRO 319 -1.346 8.288 4.694
104 HB3 PRO 319 HB3 PRO 319 -2.125 7.734 3.199
105 HG2 PRO 319 HG2 PRO 319 -0.894 6.158 5.387
106 HG3 PRO 319 HG3 PRO 319 -2.282 5.777 4.360
107 HD2 PRO 319 HD2 PRO 319 0.261 4.735 4.047
108 HD3 PRO 319 HD3 PRO 319 -0.987 4.783 2.783
109 H ASP 320 H ASP 320 1.283 6.625 5.010
110 HA ASP 320 HA ASP 320 2.724 9.091 5.897
111 HB2 ASP 320 HB2 ASP 320 2.025 6.449 7.224
112 HB3 ASP 320 HB3 ASP 320 3.006 7.694 7.995
113 H TYR 321 H TYR 321 3.697 7.821 3.583
114 HA TYR 321 HA TYR 321 5.467 5.816 3.415
115 HB2 TYR 321 HB2 TYR 321 5.106 7.600 1.745
116 HB3 TYR 321 HB3 TYR 321 6.079 8.703 2.716
117 HD1 TYR 321 HD1 TYR 321 6.579 5.080 1.878
118 HD2 TYR 321 HD2 TYR 321 8.070 9.095 1.537
119 HE1 TYR 321 HE2 TYR 321 8.634 4.225 0.791
120 HE2 TYR 321 HE1 TYR 321 10.127 8.237 0.450
121 HH TYR 321 HH TYR 321 10.479 5.618 -1.000
122 H ASN 322 H ASN 322 7.149 5.024 4.539
123 HA ASN 322 HA ASN 322 8.264 6.328 6.872
124 HB2 ASN 322 HB2 ASN 322 9.183 3.931 5.238
125 HB3 ASN 322 HB3 ASN 322 9.721 4.313 6.872
126 HD21 ASN 322 HD21 ASN 322 7.250 2.723 5.046
127 HD22 ASN 322 HD22 ASN 322 6.212 2.380 6.345
128 HA PRO 323 HA PRO 323 11.624 8.544 5.090
129 HB2 PRO 323 HB2 PRO 323 13.647 8.105 6.888
130 HB3 PRO 323 HB3 PRO 323 12.264 9.166 7.224
131 HG2 PRO 323 HG2 PRO 323 12.745 6.356 8.086
132 HG3 PRO 323 HG3 PRO 323 12.048 7.709 8.990
133 HD2 PRO 323 HD2 PRO 323 10.544 5.742 7.876
134 HD3 PRO 323 HD3 PRO 323 9.957 7.406 8.095
135 HA PRO 324 HA PRO 324 13.636 5.293 2.769
136 HB2 PRO 324 HB2 PRO 324 14.883 6.932 0.963
137 HB3 PRO 324 HB3 PRO 324 13.159 6.523 0.874
138 HG2 PRO 324 HG2 PRO 324 14.470 8.988 1.902
139 HG3 PRO 324 HG3 PRO 324 12.977 8.810 0.969
140 HD2 PRO 324 HD2 PRO 324 13.028 9.244 3.659
141 HD3 PRO 324 HD3 PRO 324 11.711 8.391 2.826
142 H LEU 325 H LEU 325 16.125 5.396 1.699
143 HA LEU 325 HA LEU 325 17.875 5.664 4.085
144 HB2 LEU 325 HB2 LEU 325 18.099 4.375 1.352
145 HB3 LEU 325 HB3 LEU 325 19.453 4.432 2.478
146 HG LEU 325 HG LEU 325 17.541 3.496 4.143
147 HD11 LEU 325 HD11 LEU 325 16.708 2.813 1.341
148 HD12 LEU 325 HD12 LEU 325 15.706 3.232 2.731
149 HD13 LEU 325 HD13 LEU 325 16.448 1.635 2.626
150 HD21 LEU 325 HD21 LEU 325 18.480 1.250 3.711
151 HD22 LEU 325 HD22 LEU 325 19.749 2.475 3.717
152 HD23 LEU 325 HD23 LEU 325 19.156 1.827 2.187
153 H LEU 326 H LEU 326 20.246 6.379 3.399
154 HA LEU 326 HA LEU 326 21.651 8.165 2.777
155 HB2 LEU 326 HB2 LEU 326 19.763 7.770 0.463
156 HB3 LEU 326 HB3 LEU 326 20.944 9.078 0.413
157 HG LEU 326 HG LEU 326 22.028 6.468 1.281
158 HD11 LEU 326 HD11 LEU 326 22.170 5.781 -1.201
159 HD12 LEU 326 HD12 LEU 326 20.837 6.906 -1.460
160 HD13 LEU 326 HD13 LEU 326 20.628 5.524 -0.384
161 HD21 LEU 326 HD21 LEU 326 23.867 7.173 -0.168
162 HD22 LEU 326 HD22 LEU 326 23.374 8.530 0.845
163 HD23 LEU 326 HD23 LEU 326 22.875 8.464 -0.846
164 H GLU 327 H GLU 327 20.118 9.073 4.716
165 HA GLU 327 HA GLU 327 18.907 11.643 3.737
166 HB2 GLU 327 HB2 GLU 327 18.084 9.549 5.667
167 HB3 GLU 327 HB3 GLU 327 17.840 11.205 6.221
168 HG2 GLU 327 HG2 GLU 327 16.768 11.615 3.899
169 HG3 GLU 327 HG3 GLU 327 16.687 9.857 3.780
Start of MODEL 6
1 HA LYS 308 HA LYS 308 10.018 -8.534 0.825
2 HB2 LYS 308 HB2 LYS 308 8.928 -7.127 -1.107
3 HB3 LYS 308 HB3 LYS 308 7.986 -6.399 0.194
4 HG2 LYS 308 HG2 LYS 308 9.813 -5.353 1.123
5 HG3 LYS 308 HG3 LYS 308 10.928 -6.624 0.621
6 HD2 LYS 308 HD2 LYS 308 11.545 -4.916 -0.832
7 HD3 LYS 308 HD3 LYS 308 10.338 -5.756 -1.806
8 HE2 LYS 308 HE2 LYS 308 9.436 -3.645 -1.996
9 HE3 LYS 308 HE3 LYS 308 8.736 -4.031 -0.412
10 HZ1 LYS 308 HZ1 LYS 308 9.990 -1.934 -0.376
11 HZ2 LYS 308 HZ2 LYS 308 11.397 -2.766 -0.840
12 HZ3 LYS 308 HZ3 LYS 308 10.668 -3.092 0.662
13 H PHE 309 H PHE 309 6.672 -7.332 1.404
14 HA PHE 309 HA PHE 309 6.826 -8.153 4.240
15 HB2 PHE 309 HB2 PHE 309 7.631 -5.575 3.313
16 HB3 PHE 309 HB3 PHE 309 6.110 -5.367 4.180
17 HD1 PHE 309 HD1 PHE 309 5.887 -6.261 6.529
18 HD2 PHE 309 HD2 PHE 309 9.653 -6.100 4.469
19 HE1 PHE 309 HE1 PHE 309 7.080 -6.512 8.688
20 HE2 PHE 309 HE2 PHE 309 10.845 -6.351 6.628
21 HZ PHE 309 HZ PHE 309 9.559 -6.557 8.737
22 HA PRO 310 HA PRO 310 2.587 -8.245 2.460
23 HB2 PRO 310 HB2 PRO 310 1.907 -10.673 3.520
24 HB3 PRO 310 HB3 PRO 310 2.786 -10.499 1.989
25 HG2 PRO 310 HG2 PRO 310 3.802 -11.219 4.682
26 HG3 PRO 310 HG3 PRO 310 4.315 -11.792 3.089
27 HD2 PRO 310 HD2 PRO 310 5.658 -9.907 4.583
28 HD3 PRO 310 HD3 PRO 310 5.795 -10.086 2.821
29 H ARG 311 H ARG 311 2.655 -6.464 4.314
30 HA ARG 311 HA ARG 311 0.811 -7.384 6.479
31 HB2 ARG 311 HB2 ARG 311 3.500 -6.039 6.691
32 HB3 ARG 311 HB3 ARG 311 2.287 -5.777 7.946
33 HG2 ARG 311 HG2 ARG 311 2.193 -8.518 7.578
34 HG3 ARG 311 HG3 ARG 311 3.909 -8.162 7.387
35 HD2 ARG 311 HD2 ARG 311 2.472 -6.861 9.675
36 HD3 ARG 311 HD3 ARG 311 2.876 -8.585 9.810
37 HE ARG 311 HE ARG 311 5.251 -7.792 9.057
38 HH11 ARG 311 HH11 ARG 311 4.437 -4.876 9.132
39 HH12 ARG 311 HH12 ARG 311 5.008 -4.393 10.695
40 HH21 ARG 311 HH21 ARG 311 5.371 -7.652 11.853
41 HH22 ARG 311 HH22 ARG 311 5.539 -5.973 12.242
42 H ALA 312 H ALA 312 0.042 -5.993 4.150
43 HA ALA 312 HA ALA 312 -1.253 -4.133 3.510
44 HB1 ALA 312 HB1 ALA 312 -1.932 -4.636 6.008
45 HB2 ALA 312 HB2 ALA 312 -2.462 -3.139 5.242
46 HB3 ALA 312 HB3 ALA 312 -1.080 -3.127 6.336
47 H MET 313 H MET 313 -1.185 -1.623 3.548
48 HA MET 313 HA MET 313 0.058 0.304 2.993
49 HB2 MET 313 HB2 MET 313 0.269 -0.190 5.588
50 HB3 MET 313 HB3 MET 313 1.960 -0.486 5.179
51 HG2 MET 313 HG2 MET 313 2.168 1.734 4.212
52 HG3 MET 313 HG3 MET 313 0.446 2.033 4.435
53 HE1 MET 313 HE1 MET 313 3.842 2.324 5.604
54 HE2 MET 313 HE2 MET 313 3.650 0.839 6.532
55 HE3 MET 313 HE3 MET 313 3.858 2.373 7.372
56 HA PRO 314 HA PRO 314 3.310 -2.256 0.849
57 HB2 PRO 314 HB2 PRO 314 2.521 -1.646 -1.700
58 HB3 PRO 314 HB3 PRO 314 1.870 -3.018 -0.784
59 HG2 PRO 314 HG2 PRO 314 0.686 -0.337 -1.277
60 HG3 PRO 314 HG3 PRO 314 -0.099 -1.921 -1.214
61 HD2 PRO 314 HD2 PRO 314 -0.175 -0.112 0.830
62 HD3 PRO 314 HD3 PRO 314 -0.313 -1.868 1.062
63 H ILE 315 H ILE 315 4.677 -1.277 -1.178
64 HA ILE 315 HA ILE 315 5.777 1.248 -0.218
65 HB ILE 315 HB ILE 315 6.387 -0.162 -2.827
66 HG12 ILE 315 HG12 ILE 315 6.427 -1.905 -1.126
67 HG13 ILE 315 HG13 ILE 315 8.089 -1.469 -1.513
68 HG21 ILE 315 HG21 ILE 315 8.658 0.714 -2.383
69 HG22 ILE 315 HG22 ILE 315 8.076 1.450 -0.889
70 HG23 ILE 315 HG23 ILE 315 7.468 2.014 -2.447
71 HD11 ILE 315 HD11 ILE 315 6.529 -0.351 0.837
72 HD12 ILE 315 HD12 ILE 315 8.231 -0.064 0.475
73 HD13 ILE 315 HD13 ILE 315 7.689 -1.675 0.946
74 H TRP 316 H TRP 316 3.920 0.240 -3.067
75 HA TRP 316 HA TRP 316 3.921 2.876 -4.289
76 HB2 TRP 316 HB2 TRP 316 2.413 1.816 -5.897
77 HB3 TRP 316 HB3 TRP 316 3.728 0.712 -5.514
78 HD1 TRP 316 HD1 TRP 316 3.157 -1.472 -4.141
79 HE1 TRP 316 HE1 TRP 316 0.931 -2.655 -3.599
80 HE3 TRP 316 HE3 TRP 316 -0.135 2.237 -5.363
81 HZ2 TRP 316 HZ2 TRP 316 -1.875 -2.102 -3.674
82 HZ3 TRP 316 HZ3 TRP 316 -2.575 1.882 -5.119
83 HH2 TRP 316 HH2 TRP 316 -3.448 -0.279 -4.276
84 H ALA 317 H ALA 317 1.864 1.251 -1.964
85 HA ALA 317 HA ALA 317 -0.060 3.551 -2.086
86 HB1 ALA 317 HB1 ALA 317 -1.712 2.000 -1.886
87 HB2 ALA 317 HB2 ALA 317 -0.860 1.144 -0.601
88 HB3 ALA 317 HB3 ALA 317 -0.473 0.813 -2.288
89 H ARG 318 H ARG 318 1.674 4.660 -0.731
90 HA ARG 318 HA ARG 318 1.378 3.925 2.165
91 HB2 ARG 318 HB2 ARG 318 3.675 4.002 0.476
92 HB3 ARG 318 HB3 ARG 318 3.811 5.356 1.597
93 HG2 ARG 318 HG2 ARG 318 4.002 3.997 3.435
94 HG3 ARG 318 HG3 ARG 318 2.946 2.757 2.758
95 HD2 ARG 318 HD2 ARG 318 4.822 1.571 2.285
96 HD3 ARG 318 HD3 ARG 318 5.188 2.796 1.053
97 HE ARG 318 HE ARG 318 6.411 4.061 2.840
98 HH11 ARG 318 HH11 ARG 318 7.737 1.360 2.350
99 HH12 ARG 318 HH12 ARG 318 8.011 0.818 3.971
100 HH21 ARG 318 HH21 ARG 318 5.827 3.125 5.384
101 HH22 ARG 318 HH22 ARG 318 6.918 1.818 5.696
102 HA PRO 319 HA PRO 319 -0.219 8.125 2.153
103 HB2 PRO 319 HB2 PRO 319 -0.740 8.239 4.845
104 HB3 PRO 319 HB3 PRO 319 -1.812 7.430 3.683
105 HG2 PRO 319 HG2 PRO 319 0.233 6.254 5.507
106 HG3 PRO 319 HG3 PRO 319 -1.386 5.663 5.099
107 HD2 PRO 319 HD2 PRO 319 0.861 4.630 4.000
108 HD3 PRO 319 HD3 PRO 319 -0.686 4.703 3.127
109 H ASP 320 H ASP 320 2.087 6.910 4.553
110 HA ASP 320 HA ASP 320 3.442 9.582 4.612
111 HB2 ASP 320 HB2 ASP 320 2.454 8.071 6.659
112 HB3 ASP 320 HB3 ASP 320 4.102 7.446 6.577
113 H TYR 321 H TYR 321 3.808 7.822 2.404
114 HA TYR 321 HA TYR 321 5.802 5.916 2.383
115 HB2 TYR 321 HB2 TYR 321 4.473 6.739 0.454
116 HB3 TYR 321 HB3 TYR 321 5.438 8.214 0.437
117 HD1 TYR 321 HD1 TYR 321 6.021 4.504 0.576
118 HD2 TYR 321 HD2 TYR 321 7.186 8.285 -1.092
119 HE1 TYR 321 HE1 TYR 321 7.743 3.368 -0.796
120 HE2 TYR 321 HE2 TYR 321 8.908 7.148 -2.466
121 HH TYR 321 HH TYR 321 8.964 4.222 -3.283
122 H ASN 322 H ASN 322 7.772 5.948 3.314
123 HA ASN 322 HA ASN 322 9.222 8.416 3.898
124 HB2 ASN 322 HB2 ASN 322 10.734 6.922 5.020
125 HB3 ASN 322 HB3 ASN 322 9.126 6.244 5.257
126 HD21 ASN 322 HD21 ASN 322 8.594 4.245 4.094
127 HD22 ASN 322 HD22 ASN 322 9.794 3.325 3.327
128 HA PRO 323 HA PRO 323 11.741 8.639 0.300
129 HB2 PRO 323 HB2 PRO 323 14.214 9.248 1.313
130 HB3 PRO 323 HB3 PRO 323 12.873 10.410 1.266
131 HG2 PRO 323 HG2 PRO 323 13.867 8.759 3.537
132 HG3 PRO 323 HG3 PRO 323 13.304 10.438 3.524
133 HD2 PRO 323 HD2 PRO 323 11.774 8.366 4.386
134 HD3 PRO 323 HD3 PRO 323 11.095 9.837 3.654
135 HA PRO 324 HA PRO 324 13.327 4.425 0.292
136 HB2 PRO 324 HB2 PRO 324 13.473 4.194 -2.432
137 HB3 PRO 324 HB3 PRO 324 11.962 4.017 -1.523
138 HG2 PRO 324 HG2 PRO 324 12.979 6.348 -3.067
139 HG3 PRO 324 HG3 PRO 324 11.330 5.721 -2.927
140 HD2 PRO 324 HD2 PRO 324 12.232 7.905 -1.567
141 HD3 PRO 324 HD3 PRO 324 10.923 6.855 -0.984
142 H LEU 325 H LEU 325 15.224 3.421 -1.195
143 HA LEU 325 HA LEU 325 17.597 5.071 -0.664
144 HB2 LEU 325 HB2 LEU 325 18.776 3.000 -1.430
145 HB3 LEU 325 HB3 LEU 325 17.585 2.675 -0.174
146 HG LEU 325 HG LEU 325 16.336 2.517 -2.783
147 HD11 LEU 325 HD11 LEU 325 17.554 0.624 -3.700
148 HD12 LEU 325 HD12 LEU 325 18.661 0.622 -2.328
149 HD13 LEU 325 HD13 LEU 325 18.685 1.960 -3.479
150 HD21 LEU 325 HD21 LEU 325 15.470 0.510 -1.901
151 HD22 LEU 325 HD22 LEU 325 15.760 1.481 -0.459
152 HD23 LEU 325 HD23 LEU 325 16.901 0.218 -0.916
153 H LEU 326 H LEU 326 16.867 6.777 -2.276
154 HA LEU 326 HA LEU 326 17.933 6.121 -5.000
155 HB2 LEU 326 HB2 LEU 326 15.276 7.166 -4.122
156 HB3 LEU 326 HB3 LEU 326 15.967 7.878 -5.581
157 HG LEU 326 HG LEU 326 16.247 4.972 -5.557
158 HD11 LEU 326 HD11 LEU 326 13.865 4.452 -5.859
159 HD12 LEU 326 HD12 LEU 326 13.443 6.133 -5.528
160 HD13 LEU 326 HD13 LEU 326 14.142 5.131 -4.255
161 HD21 LEU 326 HD21 LEU 326 16.501 6.536 -7.512
162 HD22 LEU 326 HD22 LEU 326 14.765 6.840 -7.436
163 HD23 LEU 326 HD23 LEU 326 15.362 5.223 -7.807
164 H GLU 327 H GLU 327 19.691 7.258 -3.388
165 HA GLU 327 HA GLU 327 21.035 9.151 -2.989
166 HB2 GLU 327 HB2 GLU 327 19.756 9.399 -5.652
167 HB3 GLU 327 HB3 GLU 327 20.442 10.894 -5.018
168 HG2 GLU 327 HG2 GLU 327 22.360 10.065 -5.956
169 HG3 GLU 327 HG3 GLU 327 22.460 9.196 -4.425
Start of MODEL 7
1 HA LYS 308 HA LYS 308 -8.817 -8.873 4.008
2 HB2 LYS 308 HB2 LYS 308 -9.988 -10.946 2.153
3 HB3 LYS 308 HB3 LYS 308 -8.338 -11.117 2.750
4 HG2 LYS 308 HG2 LYS 308 -9.101 -11.081 5.052
5 HG3 LYS 308 HG3 LYS 308 -10.749 -10.711 4.543
6 HD2 LYS 308 HD2 LYS 308 -10.812 -12.881 3.307
7 HD3 LYS 308 HD3 LYS 308 -9.214 -13.259 3.951
8 HE2 LYS 308 HE2 LYS 308 -10.009 -13.529 6.137
9 HE3 LYS 308 HE3 LYS 308 -11.430 -12.506 5.851
10 HZ1 LYS 308 HZ1 LYS 308 -12.286 -14.168 4.320
11 HZ2 LYS 308 HZ2 LYS 308 -12.027 -14.861 5.849
12 HZ3 LYS 308 HZ3 LYS 308 -10.930 -15.152 4.585
13 H PHE 309 H PHE 309 -6.678 -8.625 3.188
14 HA PHE 309 HA PHE 309 -6.317 -8.199 0.267
15 HB2 PHE 309 HB2 PHE 309 -7.006 -6.076 1.624
16 HB3 PHE 309 HB3 PHE 309 -5.366 -6.147 2.268
17 HD1 PHE 309 HD1 PHE 309 -7.384 -5.781 -0.822
18 HD2 PHE 309 HD2 PHE 309 -3.454 -5.603 0.906
19 HE1 PHE 309 HE1 PHE 309 -6.524 -4.708 -2.886
20 HE2 PHE 309 HE2 PHE 309 -2.595 -4.529 -1.157
21 HZ PHE 309 HZ PHE 309 -4.131 -4.082 -3.053
22 HA PRO 310 HA PRO 310 -2.533 -10.243 1.342
23 HB2 PRO 310 HB2 PRO 310 -1.160 -9.781 -0.981
24 HB3 PRO 310 HB3 PRO 310 -2.459 -10.983 -0.848
25 HG2 PRO 310 HG2 PRO 310 -2.538 -8.231 -1.977
26 HG3 PRO 310 HG3 PRO 310 -3.328 -9.708 -2.549
27 HD2 PRO 310 HD2 PRO 310 -4.620 -7.758 -1.157
28 HD3 PRO 310 HD3 PRO 310 -5.100 -9.470 -1.122
29 H ARG 311 H ARG 311 -0.914 -9.434 2.604
30 HA ARG 311 HA ARG 311 0.766 -8.016 3.450
31 HB2 ARG 311 HB2 ARG 311 0.644 -7.563 0.548
32 HB3 ARG 311 HB3 ARG 311 1.278 -6.179 1.437
33 HG2 ARG 311 HG2 ARG 311 3.159 -7.295 2.101
34 HG3 ARG 311 HG3 ARG 311 2.309 -8.831 2.277
35 HD2 ARG 311 HD2 ARG 311 2.168 -8.868 -0.297
36 HD3 ARG 311 HD3 ARG 311 3.385 -7.575 -0.259
37 HE ARG 311 HE ARG 311 3.795 -10.358 0.694
38 HH11 ARG 311 HH11 ARG 311 5.623 -9.130 -1.295
39 HH12 ARG 311 HH12 ARG 311 6.966 -8.630 -0.323
40 HH21 ARG 311 HH21 ARG 311 5.215 -8.845 2.673
41 HH22 ARG 311 HH22 ARG 311 6.735 -8.470 1.933
42 H ALA 312 H ALA 312 1.018 -5.844 4.333
43 HA ALA 312 HA ALA 312 -1.468 -4.167 4.140
44 HB1 ALA 312 HB1 ALA 312 -1.163 -3.754 6.541
45 HB2 ALA 312 HB2 ALA 312 0.329 -4.694 6.530
46 HB3 ALA 312 HB3 ALA 312 -1.218 -5.490 6.241
47 H MET 313 H MET 313 -1.086 -2.071 3.559
48 HA MET 313 HA MET 313 0.064 -0.095 2.999
49 HB2 MET 313 HB2 MET 313 1.218 -1.116 5.562
50 HB3 MET 313 HB3 MET 313 2.041 0.233 4.779
51 HG2 MET 313 HG2 MET 313 0.106 1.610 4.874
52 HG3 MET 313 HG3 MET 313 -0.945 0.242 5.238
53 HE1 MET 313 HE1 MET 313 -1.224 0.106 8.828
54 HE2 MET 313 HE2 MET 313 -1.270 -0.866 7.360
55 HE3 MET 313 HE3 MET 313 -2.083 0.697 7.400
56 HA PRO 314 HA PRO 314 3.363 -2.448 0.767
57 HB2 PRO 314 HB2 PRO 314 2.566 -1.712 -1.746
58 HB3 PRO 314 HB3 PRO 314 1.914 -3.127 -0.900
59 HG2 PRO 314 HG2 PRO 314 0.726 -0.434 -1.283
60 HG3 PRO 314 HG3 PRO 314 -0.057 -2.019 -1.254
61 HD2 PRO 314 HD2 PRO 314 -0.078 -0.245 0.841
62 HD3 PRO 314 HD3 PRO 314 -0.294 -2.000 1.012
63 H ILE 315 H ILE 315 4.616 -1.294 -1.327
64 HA ILE 315 HA ILE 315 5.720 1.183 -0.197
65 HB ILE 315 HB ILE 315 6.316 -0.258 -2.802
66 HG12 ILE 315 HG12 ILE 315 6.548 -1.836 -0.958
67 HG13 ILE 315 HG13 ILE 315 8.156 -1.347 -1.484
68 HG21 ILE 315 HG21 ILE 315 7.225 2.056 -2.568
69 HG22 ILE 315 HG22 ILE 315 8.493 0.831 -2.640
70 HG23 ILE 315 HG23 ILE 315 8.049 1.551 -1.093
71 HD11 ILE 315 HD11 ILE 315 8.153 0.381 0.348
72 HD12 ILE 315 HD12 ILE 315 8.107 -1.280 0.937
73 HD13 ILE 315 HD13 ILE 315 6.635 -0.309 0.924
74 H TRP 316 H TRP 316 4.023 0.257 -3.175
75 HA TRP 316 HA TRP 316 3.912 2.916 -4.290
76 HB2 TRP 316 HB2 TRP 316 2.427 1.854 -5.915
77 HB3 TRP 316 HB3 TRP 316 3.753 0.756 -5.540
78 HD1 TRP 316 HD1 TRP 316 3.206 -1.433 -4.158
79 HE1 TRP 316 HE1 TRP 316 0.990 -2.636 -3.617
80 HE3 TRP 316 HE3 TRP 316 -0.125 2.239 -5.392
81 HZ2 TRP 316 HZ2 TRP 316 -1.822 -2.112 -3.693
82 HZ3 TRP 316 HZ3 TRP 316 -2.561 1.861 -5.148
83 HH2 TRP 316 HH2 TRP 316 -3.413 -0.306 -4.300
84 H ALA 317 H ALA 317 2.017 1.349 -1.837
85 HA ALA 317 HA ALA 317 -0.050 3.518 -2.051
86 HB1 ALA 317 HB1 ALA 317 -0.418 0.837 -2.260
87 HB2 ALA 317 HB2 ALA 317 -1.645 1.925 -1.616
88 HB3 ALA 317 HB3 ALA 317 -0.597 1.030 -0.517
89 H ARG 318 H ARG 318 1.611 4.779 -0.741
90 HA ARG 318 HA ARG 318 1.342 4.141 2.177
91 HB2 ARG 318 HB2 ARG 318 3.701 4.946 0.482
92 HB3 ARG 318 HB3 ARG 318 3.684 5.320 2.206
93 HG2 ARG 318 HG2 ARG 318 2.837 2.586 1.755
94 HG3 ARG 318 HG3 ARG 318 4.410 2.875 1.011
95 HD2 ARG 318 HD2 ARG 318 5.009 4.024 3.286
96 HD3 ARG 318 HD3 ARG 318 3.627 3.105 3.914
97 HE ARG 318 HE ARG 318 4.887 1.132 2.607
98 HH11 ARG 318 HH11 ARG 318 7.372 2.855 2.433
99 HH12 ARG 318 HH12 ARG 318 8.250 2.344 3.834
100 HH21 ARG 318 HH21 ARG 318 5.500 0.820 5.322
101 HH22 ARG 318 HH22 ARG 318 7.185 1.187 5.478
102 HA PRO 319 HA PRO 319 -0.339 8.258 2.209
103 HB2 PRO 319 HB2 PRO 319 -0.428 8.583 4.927
104 HB3 PRO 319 HB3 PRO 319 -1.601 7.599 4.029
105 HG2 PRO 319 HG2 PRO 319 0.772 6.743 5.607
106 HG3 PRO 319 HG3 PRO 319 -0.824 5.990 5.470
107 HD2 PRO 319 HD2 PRO 319 1.382 5.091 4.148
108 HD3 PRO 319 HD3 PRO 319 -0.278 4.873 3.551
109 H ASP 320 H ASP 320 2.381 7.480 4.372
110 HA ASP 320 HA ASP 320 3.487 10.234 3.936
111 HB2 ASP 320 HB2 ASP 320 3.861 8.148 6.116
112 HB3 ASP 320 HB3 ASP 320 4.760 9.663 6.049
113 H TYR 321 H TYR 321 3.769 8.168 1.948
114 HA TYR 321 HA TYR 321 6.067 6.563 2.033
115 HB2 TYR 321 HB2 TYR 321 4.251 6.661 0.295
116 HB3 TYR 321 HB3 TYR 321 4.987 8.138 -0.324
117 HD1 TYR 321 HD1 TYR 321 6.165 4.735 0.765
118 HD2 TYR 321 HD2 TYR 321 6.344 7.853 -2.185
119 HE1 TYR 321 HE2 TYR 321 7.773 3.391 -0.560
120 HE2 TYR 321 HE1 TYR 321 7.951 6.508 -3.510
121 HH TYR 321 HH TYR 321 9.737 4.265 -2.504
122 H ASN 322 H ASN 322 8.225 6.883 1.445
123 HA ASN 322 HA ASN 322 9.334 9.566 1.885
124 HB2 ASN 322 HB2 ASN 322 10.622 6.932 1.074
125 HB3 ASN 322 HB3 ASN 322 11.469 8.341 1.709
126 HD21 ASN 322 HD21 ASN 322 10.060 5.401 2.634
127 HD22 ASN 322 HD22 ASN 322 9.883 5.721 4.291
128 HA PRO 323 HA PRO 323 9.804 10.760 -2.328
129 HB2 PRO 323 HB2 PRO 323 12.327 11.831 -2.390
130 HB3 PRO 323 HB3 PRO 323 10.948 12.643 -1.620
131 HG2 PRO 323 HG2 PRO 323 13.131 11.037 -0.377
132 HG3 PRO 323 HG3 PRO 323 12.383 12.542 0.179
133 HD2 PRO 323 HD2 PRO 323 11.756 10.124 1.219
134 HD3 PRO 323 HD3 PRO 323 10.586 11.458 1.116
135 HA PRO 324 HA PRO 324 11.926 7.049 -3.786
136 HB2 PRO 324 HB2 PRO 324 10.662 6.952 -6.211
137 HB3 PRO 324 HB3 PRO 324 9.923 6.364 -4.711
138 HG2 PRO 324 HG2 PRO 324 9.471 8.909 -6.174
139 HG3 PRO 324 HG3 PRO 324 8.319 7.891 -5.295
140 HD2 PRO 324 HD2 PRO 324 9.386 10.214 -4.305
141 HD3 PRO 324 HD3 PRO 324 8.771 8.888 -3.296
142 H LEU 325 H LEU 325 12.882 6.638 -6.198
143 HA LEU 325 HA LEU 325 14.294 9.154 -7.035
144 HB2 LEU 325 HB2 LEU 325 15.298 6.817 -5.829
145 HB3 LEU 325 HB3 LEU 325 15.736 6.668 -7.530
146 HG LEU 325 HG LEU 325 17.520 7.841 -6.371
147 HD11 LEU 325 HD11 LEU 325 16.029 10.052 -7.766
148 HD12 LEU 325 HD12 LEU 325 16.574 8.645 -8.679
149 HD13 LEU 325 HD13 LEU 325 17.745 9.655 -7.832
150 HD21 LEU 325 HD21 LEU 325 17.174 9.800 -5.047
151 HD22 LEU 325 HD22 LEU 325 15.946 8.650 -4.517
152 HD23 LEU 325 HD23 LEU 325 15.509 9.970 -5.602
153 H LEU 326 H LEU 326 11.890 8.343 -8.275
154 HA LEU 326 HA LEU 326 12.826 7.182 -10.881
155 HB2 LEU 326 HB2 LEU 326 10.526 6.741 -9.107
156 HB3 LEU 326 HB3 LEU 326 10.047 7.023 -10.779
157 HG LEU 326 HG LEU 326 10.407 4.625 -10.384
158 HD11 LEU 326 HD11 LEU 326 11.736 4.197 -12.294
159 HD12 LEU 326 HD12 LEU 326 12.755 5.607 -12.007
160 HD13 LEU 326 HD13 LEU 326 11.097 5.818 -12.570
161 HD21 LEU 326 HD21 LEU 326 13.328 5.207 -9.905
162 HD22 LEU 326 HD22 LEU 326 12.432 3.725 -9.577
163 HD23 LEU 326 HD23 LEU 326 12.188 5.146 -8.561
164 H GLU 327 H GLU 327 12.902 8.695 -12.493
165 HA GLU 327 HA GLU 327 10.944 10.970 -12.420
166 HB2 GLU 327 HB2 GLU 327 13.935 10.899 -12.839
167 HB3 GLU 327 HB3 GLU 327 12.968 12.245 -13.442
168 HG2 GLU 327 HG2 GLU 327 12.969 13.159 -11.387
169 HG3 GLU 327 HG3 GLU 327 12.140 11.735 -10.761
Start of MODEL 8
1 HA LYS 308 HA LYS 308 1.586 -11.285 17.673
2 HB2 LYS 308 HB2 LYS 308 2.288 -13.798 16.177
3 HB3 LYS 308 HB3 LYS 308 3.079 -12.287 15.731
4 HG2 LYS 308 HG2 LYS 308 4.212 -12.122 17.735
5 HG3 LYS 308 HG3 LYS 308 2.955 -12.966 18.638
6 HD2 LYS 308 HD2 LYS 308 3.625 -15.096 17.547
7 HD3 LYS 308 HD3 LYS 308 4.916 -14.240 16.706
8 HE2 LYS 308 HE2 LYS 308 6.237 -14.656 18.505
9 HE3 LYS 308 HE3 LYS 308 5.211 -13.542 19.430
10 HZ1 LYS 308 HZ1 LYS 308 3.672 -15.372 19.848
11 HZ2 LYS 308 HZ2 LYS 308 5.219 -15.738 20.447
12 HZ3 LYS 308 HZ3 LYS 308 4.681 -16.439 18.997
13 H PHE 309 H PHE 309 1.536 -9.641 16.071
14 HA PHE 309 HA PHE 309 -0.487 -10.038 13.898
15 HB2 PHE 309 HB2 PHE 309 -0.772 -8.320 15.779
16 HB3 PHE 309 HB3 PHE 309 0.576 -7.445 15.050
17 HD1 PHE 309 HD1 PHE 309 0.371 -6.448 12.803
18 HD2 PHE 309 HD2 PHE 309 -2.938 -8.445 14.681
19 HE1 PHE 309 HE1 PHE 309 -1.177 -5.441 11.150
20 HE2 PHE 309 HE2 PHE 309 -4.485 -7.437 13.027
21 HZ PHE 309 HZ PHE 309 -3.606 -5.934 11.262
22 HA PRO 310 HA PRO 310 3.204 -9.773 11.332
23 HB2 PRO 310 HB2 PRO 310 1.942 -10.431 8.993
24 HB3 PRO 310 HB3 PRO 310 2.436 -11.636 10.200
25 HG2 PRO 310 HG2 PRO 310 -0.250 -10.470 9.676
26 HG3 PRO 310 HG3 PRO 310 0.197 -12.122 10.126
27 HD2 PRO 310 HD2 PRO 310 -0.820 -10.286 11.878
28 HD3 PRO 310 HD3 PRO 310 0.220 -11.644 12.358
29 H ARG 311 H ARG 311 3.921 -8.222 9.748
30 HA ARG 311 HA ARG 311 2.366 -5.734 9.677
31 HB2 ARG 311 HB2 ARG 311 5.098 -6.700 9.139
32 HB3 ARG 311 HB3 ARG 311 4.574 -5.421 8.044
33 HG2 ARG 311 HG2 ARG 311 3.819 -4.127 10.098
34 HG3 ARG 311 HG3 ARG 311 4.662 -5.335 11.068
35 HD2 ARG 311 HD2 ARG 311 6.322 -4.320 8.870
36 HD3 ARG 311 HD3 ARG 311 5.831 -3.049 10.007
37 HE ARG 311 HE ARG 311 6.755 -4.446 11.842
38 HH11 ARG 311 HH11 ARG 311 9.077 -3.857 10.051
39 HH12 ARG 311 HH12 ARG 311 9.774 -5.426 9.821
40 HH21 ARG 311 HH21 ARG 311 6.949 -7.128 10.919
41 HH22 ARG 311 HH22 ARG 311 8.564 -7.286 10.315
42 H ALA 312 H ALA 312 1.417 -4.809 7.830
43 HA ALA 312 HA ALA 312 1.557 -6.290 5.248
44 HB1 ALA 312 HB1 ALA 312 -1.028 -6.078 5.249
45 HB2 ALA 312 HB2 ALA 312 -0.870 -5.797 6.983
46 HB3 ALA 312 HB3 ALA 312 -0.318 -7.319 6.283
47 H MET 313 H MET 313 2.710 -4.338 4.554
48 HA MET 313 HA MET 313 0.851 -2.132 3.823
49 HB2 MET 313 HB2 MET 313 2.490 -0.472 4.698
50 HB3 MET 313 HB3 MET 313 1.858 -1.509 5.976
51 HG2 MET 313 HG2 MET 313 4.073 -2.917 5.074
52 HG3 MET 313 HG3 MET 313 4.603 -1.238 4.983
53 HE1 MET 313 HE1 MET 313 6.103 -0.683 6.665
54 HE2 MET 313 HE2 MET 313 6.412 -2.411 6.819
55 HE3 MET 313 HE3 MET 313 6.225 -1.424 8.267
56 HA PRO 314 HA PRO 314 3.318 -2.796 0.162
57 HB2 PRO 314 HB2 PRO 314 1.916 -1.108 -1.467
58 HB3 PRO 314 HB3 PRO 314 1.344 -2.727 -1.029
59 HG2 PRO 314 HG2 PRO 314 0.493 -0.080 -0.015
60 HG3 PRO 314 HG3 PRO 314 -0.447 -1.560 -0.234
61 HD2 PRO 314 HD2 PRO 314 0.527 -0.619 2.184
62 HD3 PRO 314 HD3 PRO 314 0.008 -2.287 1.864
63 H ILE 315 H ILE 315 4.234 -1.119 -1.579
64 HA ILE 315 HA ILE 315 5.549 1.076 -0.040
65 HB ILE 315 HB ILE 315 6.220 -0.175 -2.724
66 HG12 ILE 315 HG12 ILE 315 8.113 -0.827 -0.688
67 HG13 ILE 315 HG13 ILE 315 6.508 -1.212 -0.063
68 HG21 ILE 315 HG21 ILE 315 7.085 2.186 -2.073
69 HG22 ILE 315 HG22 ILE 315 8.265 0.996 -2.621
70 HG23 ILE 315 HG23 ILE 315 8.088 1.335 -0.899
71 HD11 ILE 315 HD11 ILE 315 6.019 -2.613 -1.951
72 HD12 ILE 315 HD12 ILE 315 7.621 -3.076 -1.376
73 HD13 ILE 315 HD13 ILE 315 7.459 -2.061 -2.808
74 H TRP 316 H TRP 316 4.022 0.447 -3.197
75 HA TRP 316 HA TRP 316 3.992 3.174 -4.084
76 HB2 TRP 316 HB2 TRP 316 2.526 2.314 -5.826
77 HB3 TRP 316 HB3 TRP 316 3.780 1.122 -5.501
78 HD1 TRP 316 HD1 TRP 316 3.067 -1.158 -4.386
79 HE1 TRP 316 HE1 TRP 316 0.779 -2.288 -4.026
80 HE3 TRP 316 HE3 TRP 316 -0.032 2.800 -5.300
81 HZ2 TRP 316 HZ2 TRP 316 -1.997 -1.606 -4.114
82 HZ3 TRP 316 HZ3 TRP 316 -2.490 2.530 -5.159
83 HH2 TRP 316 HH2 TRP 316 -3.476 0.334 -4.566
84 H ALA 317 H ALA 317 1.708 1.293 -2.151
85 HA ALA 317 HA ALA 317 -0.223 3.562 -2.143
86 HB1 ALA 317 HB1 ALA 317 -0.241 0.651 -1.718
87 HB2 ALA 317 HB2 ALA 317 -1.544 1.710 -2.254
88 HB3 ALA 317 HB3 ALA 317 -1.207 1.529 -0.533
89 H ARG 318 H ARG 318 1.619 4.760 -0.933
90 HA ARG 318 HA ARG 318 1.281 4.338 2.015
91 HB2 ARG 318 HB2 ARG 318 3.620 4.128 0.315
92 HB3 ARG 318 HB3 ARG 318 3.843 5.422 1.490
93 HG2 ARG 318 HG2 ARG 318 3.653 3.977 3.317
94 HG3 ARG 318 HG3 ARG 318 2.758 2.769 2.396
95 HD2 ARG 318 HD2 ARG 318 5.062 1.982 2.799
96 HD3 ARG 318 HD3 ARG 318 4.834 2.302 1.070
97 HE ARG 318 HE ARG 318 5.723 4.712 2.336
98 HH11 ARG 318 HH11 ARG 318 6.981 3.828 -0.151
99 HH12 ARG 318 HH12 ARG 318 8.550 3.294 0.354
100 HH21 ARG 318 HH21 ARG 318 7.668 3.022 3.706
101 HH22 ARG 318 HH22 ARG 318 8.940 2.838 2.544
102 HA PRO 319 HA PRO 319 0.675 8.717 2.165
103 HB2 PRO 319 HB2 PRO 319 2.056 9.466 4.404
104 HB3 PRO 319 HB3 PRO 319 0.525 8.569 4.472
105 HG2 PRO 319 HG2 PRO 319 3.312 7.588 4.793
106 HG3 PRO 319 HG3 PRO 319 1.837 7.090 5.632
107 HD2 PRO 319 HD2 PRO 319 2.993 5.670 3.603
108 HD3 PRO 319 HD3 PRO 319 1.265 5.594 4.009
109 H ASP 320 H ASP 320 4.028 7.660 2.589
110 HA ASP 320 HA ASP 320 4.965 10.092 1.102
111 HB2 ASP 320 HB2 ASP 320 6.163 8.464 3.360
112 HB3 ASP 320 HB3 ASP 320 7.105 9.632 2.434
113 H TYR 321 H TYR 321 4.107 7.666 -0.220
114 HA TYR 321 HA TYR 321 5.961 5.683 -0.816
115 HB2 TYR 321 HB2 TYR 321 3.772 5.648 -1.762
116 HB3 TYR 321 HB3 TYR 321 3.983 7.233 -2.502
117 HD1 TYR 321 HD1 TYR 321 6.216 4.208 -2.497
118 HD2 TYR 321 HD2 TYR 321 3.845 6.937 -4.817
119 HE1 TYR 321 HE2 TYR 321 7.012 3.130 -4.581
120 HE2 TYR 321 HE1 TYR 321 4.643 5.858 -6.900
121 HH TYR 321 HH TYR 321 7.210 4.145 -7.213
122 H ASN 322 H ASN 322 7.962 5.652 -1.733
123 HA ASN 322 HA ASN 322 9.491 7.966 -2.302
124 HB2 ASN 322 HB2 ASN 322 11.155 6.406 -2.979
125 HB3 ASN 322 HB3 ASN 322 10.172 5.523 -1.817
126 HD21 ASN 322 HD21 ASN 322 9.000 3.666 -2.584
127 HD22 ASN 322 HD22 ASN 322 9.077 3.130 -4.193
128 HA PRO 323 HA PRO 323 8.105 9.096 -6.337
129 HB2 PRO 323 HB2 PRO 323 10.248 10.601 -7.126
130 HB3 PRO 323 HB3 PRO 323 9.062 11.160 -5.931
131 HG2 PRO 323 HG2 PRO 323 11.793 10.072 -5.518
132 HG3 PRO 323 HG3 PRO 323 10.938 11.344 -4.636
133 HD2 PRO 323 HD2 PRO 323 11.240 8.767 -3.734
134 HD3 PRO 323 HD3 PRO 323 9.941 9.866 -3.220
135 HA PRO 324 HA PRO 324 10.339 5.867 -8.572
136 HB2 PRO 324 HB2 PRO 324 8.372 5.404 -10.414
137 HB3 PRO 324 HB3 PRO 324 8.342 4.729 -8.776
138 HG2 PRO 324 HG2 PRO 324 6.833 7.009 -9.910
139 HG3 PRO 324 HG3 PRO 324 6.356 5.843 -8.669
140 HD2 PRO 324 HD2 PRO 324 7.197 8.439 -8.188
141 HD3 PRO 324 HD3 PRO 324 7.182 7.126 -6.993
142 H LEU 325 H LEU 325 10.316 5.587 -11.247
143 HA LEU 325 HA LEU 325 11.576 8.058 -12.231
144 HB2 LEU 325 HB2 LEU 325 11.432 5.192 -12.875
145 HB3 LEU 325 HB3 LEU 325 11.448 6.218 -14.309
146 HG LEU 325 HG LEU 325 13.403 6.684 -12.061
147 HD11 LEU 325 HD11 LEU 325 13.697 4.770 -14.397
148 HD12 LEU 325 HD12 LEU 325 13.678 4.338 -12.687
149 HD13 LEU 325 HD13 LEU 325 15.017 5.280 -13.345
150 HD21 LEU 325 HD21 LEU 325 14.746 7.528 -14.051
151 HD22 LEU 325 HD22 LEU 325 13.289 8.452 -13.690
152 HD23 LEU 325 HD23 LEU 325 13.295 7.301 -15.027
153 H LEU 326 H LEU 326 10.961 8.371 -14.795
154 HA LEU 326 HA LEU 326 8.335 9.548 -14.840
155 HB2 LEU 326 HB2 LEU 326 10.683 9.671 -16.306
156 HB3 LEU 326 HB3 LEU 326 9.577 8.886 -17.430
157 HG LEU 326 HG LEU 326 9.479 11.325 -17.700
158 HD11 LEU 326 HD11 LEU 326 7.401 9.864 -17.902
159 HD12 LEU 326 HD12 LEU 326 7.100 11.576 -17.603
160 HD13 LEU 326 HD13 LEU 326 6.964 10.413 -16.284
161 HD21 LEU 326 HD21 LEU 326 8.271 11.634 -14.976
162 HD22 LEU 326 HD22 LEU 326 9.135 12.816 -15.958
163 HD23 LEU 326 HD23 LEU 326 10.029 11.557 -15.105
164 H GLU 327 H GLU 327 6.559 8.214 -14.688
165 HA GLU 327 HA GLU 327 6.343 5.956 -16.647
166 HB2 GLU 327 HB2 GLU 327 6.835 5.618 -14.010
167 HB3 GLU 327 HB3 GLU 327 5.076 5.717 -13.960
168 HG2 GLU 327 HG2 GLU 327 6.063 4.021 -16.140
169 HG3 GLU 327 HG3 GLU 327 6.534 3.437 -14.544
Start of MODEL 9
1 HA LYS 308 HA LYS 308 -7.810 -9.793 11.245
2 HB2 LYS 308 HB2 LYS 308 -8.452 -7.327 11.175
3 HB3 LYS 308 HB3 LYS 308 -7.281 -7.141 9.869
4 HG2 LYS 308 HG2 LYS 308 -9.071 -9.418 9.443
5 HG3 LYS 308 HG3 LYS 308 -9.942 -7.889 9.566
6 HD2 LYS 308 HD2 LYS 308 -8.553 -6.901 7.827
7 HD3 LYS 308 HD3 LYS 308 -7.551 -8.350 7.760
8 HE2 LYS 308 HE2 LYS 308 -9.810 -9.588 7.247
9 HE3 LYS 308 HE3 LYS 308 -10.380 -7.969 6.795
10 HZ1 LYS 308 HZ1 LYS 308 -9.370 -9.006 4.885
11 HZ2 LYS 308 HZ2 LYS 308 -7.953 -9.344 5.759
12 HZ3 LYS 308 HZ3 LYS 308 -8.374 -7.736 5.405
13 H PHE 309 H PHE 309 -5.302 -7.770 9.632
14 HA PHE 309 HA PHE 309 -4.189 -10.241 8.382
15 HB2 PHE 309 HB2 PHE 309 -5.995 -9.020 6.988
16 HB3 PHE 309 HB3 PHE 309 -4.798 -7.738 6.796
17 HD1 PHE 309 HD1 PHE 309 -5.401 -11.378 6.250
18 HD2 PHE 309 HD2 PHE 309 -2.998 -7.957 5.262
19 HE1 PHE 309 HE1 PHE 309 -4.302 -12.671 4.443
20 HE2 PHE 309 HE2 PHE 309 -1.899 -9.250 3.453
21 HZ PHE 309 HZ PHE 309 -2.553 -11.607 3.043
22 HA PRO 310 HA PRO 310 -0.764 -7.632 9.810
23 HB2 PRO 310 HB2 PRO 310 1.026 -9.684 10.066
24 HB3 PRO 310 HB3 PRO 310 -0.186 -9.302 11.303
25 HG2 PRO 310 HG2 PRO 310 -0.180 -11.456 9.262
26 HG3 PRO 310 HG3 PRO 310 -0.794 -11.471 10.922
27 HD2 PRO 310 HD2 PRO 310 -2.366 -11.218 8.677
28 HD3 PRO 310 HD3 PRO 310 -2.833 -10.674 10.303
29 H ARG 311 H ARG 311 1.371 -7.157 8.830
30 HA ARG 311 HA ARG 311 2.757 -6.742 6.971
31 HB2 ARG 311 HB2 ARG 311 2.926 -9.288 7.512
32 HB3 ARG 311 HB3 ARG 311 1.966 -9.505 6.049
33 HG2 ARG 311 HG2 ARG 311 3.820 -7.786 5.101
34 HG3 ARG 311 HG3 ARG 311 4.777 -8.581 6.352
35 HD2 ARG 311 HD2 ARG 311 5.125 -9.971 4.472
36 HD3 ARG 311 HD3 ARG 311 3.799 -10.797 5.315
37 HE ARG 311 HE ARG 311 2.320 -9.230 3.771
38 HH11 ARG 311 HH11 ARG 311 4.468 -8.253 2.042
39 HH12 ARG 311 HH12 ARG 311 4.533 -9.428 0.771
40 HH21 ARG 311 HH21 ARG 311 2.762 -11.832 2.551
41 HH22 ARG 311 HH22 ARG 311 3.562 -11.463 1.060
42 H ALA 312 H ALA 312 0.613 -5.365 6.453
43 HA ALA 312 HA ALA 312 -0.202 -6.092 3.658
44 HB1 ALA 312 HB1 ALA 312 -2.021 -4.734 5.649
45 HB2 ALA 312 HB2 ALA 312 -1.870 -6.491 5.622
46 HB3 ALA 312 HB3 ALA 312 -2.458 -5.634 4.197
47 H MET 313 H MET 313 1.919 -4.248 4.562
48 HA MET 313 HA MET 313 0.738 -1.614 3.732
49 HB2 MET 313 HB2 MET 313 3.000 -2.418 5.576
50 HB3 MET 313 HB3 MET 313 2.840 -0.768 4.973
51 HG2 MET 313 HG2 MET 313 0.663 -0.530 5.985
52 HG3 MET 313 HG3 MET 313 0.611 -2.243 6.404
53 HE1 MET 313 HE1 MET 313 0.801 -0.405 9.781
54 HE2 MET 313 HE2 MET 313 -0.238 -0.874 8.437
55 HE3 MET 313 HE3 MET 313 0.534 0.710 8.433
56 HA PRO 314 HA PRO 314 3.478 -2.831 0.271
57 HB2 PRO 314 HB2 PRO 314 2.128 -1.366 -1.610
58 HB3 PRO 314 HB3 PRO 314 1.644 -3.000 -1.121
59 HG2 PRO 314 HG2 PRO 314 0.536 -0.367 -0.283
60 HG3 PRO 314 HG3 PRO 314 -0.308 -1.883 -0.640
61 HD2 PRO 314 HD2 PRO 314 0.182 -1.011 1.889
62 HD3 PRO 314 HD3 PRO 314 0.055 -2.732 1.459
63 H ILE 315 H ILE 315 4.357 -1.130 -1.543
64 HA ILE 315 HA ILE 315 5.423 1.186 0.017
65 HB ILE 315 HB ILE 315 6.369 -0.009 -2.605
66 HG12 ILE 315 HG12 ILE 315 6.423 -1.767 -0.919
67 HG13 ILE 315 HG13 ILE 315 8.066 -1.196 -1.189
68 HG21 ILE 315 HG21 ILE 315 7.662 1.796 -0.540
69 HG22 ILE 315 HG22 ILE 315 7.266 2.202 -2.209
70 HG23 ILE 315 HG23 ILE 315 8.541 1.033 -1.866
71 HD11 ILE 315 HD11 ILE 315 6.266 -0.726 1.171
72 HD12 ILE 315 HD12 ILE 315 7.531 0.444 0.794
73 HD13 ILE 315 HD13 ILE 315 7.955 -1.231 1.146
74 H TRP 316 H TRP 316 4.018 0.365 -3.138
75 HA TRP 316 HA TRP 316 3.960 3.010 -4.223
76 HB2 TRP 316 HB2 TRP 316 2.395 2.008 -5.837
77 HB3 TRP 316 HB3 TRP 316 3.720 0.896 -5.505
78 HD1 TRP 316 HD1 TRP 316 3.186 -1.280 -4.058
79 HE1 TRP 316 HE1 TRP 316 0.969 -2.495 -3.540
80 HE3 TRP 316 HE3 TRP 316 -0.152 2.350 -5.398
81 HZ2 TRP 316 HZ2 TRP 316 -1.843 -1.994 -3.676
82 HZ3 TRP 316 HZ3 TRP 316 -2.589 1.953 -5.195
83 HH2 TRP 316 HH2 TRP 316 -3.438 -0.212 -4.335
84 H ALA 317 H ALA 317 1.763 1.335 -2.036
85 HA ALA 317 HA ALA 317 -0.140 3.641 -2.144
86 HB1 ALA 317 HB1 ALA 317 -1.756 2.101 -1.421
87 HB2 ALA 317 HB2 ALA 317 -0.564 1.077 -0.622
88 HB3 ALA 317 HB3 ALA 317 -0.697 1.069 -2.379
89 H ARG 318 H ARG 318 1.633 4.867 -0.915
90 HA ARG 318 HA ARG 318 1.435 4.298 2.024
91 HB2 ARG 318 HB2 ARG 318 3.662 4.115 0.385
92 HB3 ARG 318 HB3 ARG 318 3.817 5.734 1.064
93 HG2 ARG 318 HG2 ARG 318 4.851 4.543 2.746
94 HG3 ARG 318 HG3 ARG 318 3.187 4.433 3.319
95 HD2 ARG 318 HD2 ARG 318 3.112 2.186 2.964
96 HD3 ARG 318 HD3 ARG 318 3.869 2.339 1.368
97 HE ARG 318 HE ARG 318 6.070 2.463 2.510
98 HH11 ARG 318 HH11 ARG 318 5.032 -0.210 3.267
99 HH12 ARG 318 HH12 ARG 318 5.201 -0.212 4.992
100 HH21 ARG 318 HH21 ARG 318 5.549 3.241 5.218
101 HH22 ARG 318 HH22 ARG 318 5.497 1.752 6.101
102 HA PRO 319 HA PRO 319 -0.192 8.455 2.004
103 HB2 PRO 319 HB2 PRO 319 -0.250 8.788 4.727
104 HB3 PRO 319 HB3 PRO 319 -1.469 7.850 3.840
105 HG2 PRO 319 HG2 PRO 319 0.906 6.897 5.368
106 HG3 PRO 319 HG3 PRO 319 -0.732 6.227 5.297
107 HD2 PRO 319 HD2 PRO 319 1.338 5.169 3.914
108 HD3 PRO 319 HD3 PRO 319 -0.338 5.118 3.321
109 H ASP 320 H ASP 320 2.558 7.495 4.016
110 HA ASP 320 HA ASP 320 3.767 10.214 3.675
111 HB2 ASP 320 HB2 ASP 320 3.246 8.829 5.950
112 HB3 ASP 320 HB3 ASP 320 4.858 8.210 5.593
113 H TYR 321 H TYR 321 3.810 8.279 1.549
114 HA TYR 321 HA TYR 321 5.812 6.469 1.188
115 HB2 TYR 321 HB2 TYR 321 4.232 7.263 -0.528
116 HB3 TYR 321 HB3 TYR 321 5.111 8.787 -0.642
117 HD1 TYR 321 HD1 TYR 321 5.643 5.085 -0.915
118 HD2 TYR 321 HD2 TYR 321 6.857 9.004 -2.186
119 HE1 TYR 321 HE1 TYR 321 7.200 4.072 -2.555
120 HE2 TYR 321 HE2 TYR 321 8.412 7.990 -3.828
121 HH TYR 321 HH TYR 321 9.598 5.211 -3.759
122 H ASN 322 H ASN 322 7.917 6.467 1.718
123 HA ASN 322 HA ASN 322 9.441 8.863 2.314
124 HB2 ASN 322 HB2 ASN 322 10.301 5.982 1.857
125 HB3 ASN 322 HB3 ASN 322 11.241 7.218 2.692
126 HD21 ASN 322 HD21 ASN 322 9.406 4.587 3.391
127 HD22 ASN 322 HD22 ASN 322 8.737 5.072 4.874
128 HA PRO 323 HA PRO 323 11.118 9.739 -1.661
129 HB2 PRO 323 HB2 PRO 323 13.640 10.595 -1.012
130 HB3 PRO 323 HB3 PRO 323 12.181 11.563 -0.719
131 HG2 PRO 323 HG2 PRO 323 13.751 9.887 1.178
132 HG3 PRO 323 HG3 PRO 323 12.996 11.469 1.430
133 HD2 PRO 323 HD2 PRO 323 11.903 9.145 2.315
134 HD3 PRO 323 HD3 PRO 323 10.933 10.564 1.858
135 HA PRO 324 HA PRO 324 13.205 5.818 -2.373
136 HB2 PRO 324 HB2 PRO 324 12.853 5.807 -5.087
137 HB3 PRO 324 HB3 PRO 324 11.581 5.348 -3.943
138 HG2 PRO 324 HG2 PRO 324 11.960 7.887 -5.436
139 HG3 PRO 324 HG3 PRO 324 10.467 7.037 -5.016
140 HD2 PRO 324 HD2 PRO 324 11.407 9.246 -3.690
141 HD3 PRO 324 HD3 PRO 324 10.324 8.035 -2.973
142 H LEU 325 H LEU 325 14.852 5.250 -4.380
143 HA LEU 325 HA LEU 325 16.778 7.545 -4.588
144 HB2 LEU 325 HB2 LEU 325 17.031 5.228 -3.096
145 HB3 LEU 325 HB3 LEU 325 17.884 4.813 -4.582
146 HG LEU 325 HG LEU 325 19.447 5.819 -2.993
147 HD11 LEU 325 HD11 LEU 325 20.398 7.474 -4.428
148 HD12 LEU 325 HD12 LEU 325 18.823 7.901 -5.098
149 HD13 LEU 325 HD13 LEU 325 19.556 6.346 -5.490
150 HD21 LEU 325 HD21 LEU 325 19.117 7.928 -1.979
151 HD22 LEU 325 HD22 LEU 325 17.528 7.169 -1.879
152 HD23 LEU 325 HD23 LEU 325 17.851 8.379 -3.121
153 H LEU 326 H LEU 326 16.331 8.090 -6.744
154 HA LEU 326 HA LEU 326 16.343 7.905 -9.094
155 HB2 LEU 326 HB2 LEU 326 18.675 7.083 -8.190
156 HB3 LEU 326 HB3 LEU 326 18.113 5.499 -8.724
157 HG LEU 326 HG LEU 326 17.467 6.992 -10.900
158 HD11 LEU 326 HD11 LEU 326 19.282 8.554 -11.367
159 HD12 LEU 326 HD12 LEU 326 20.045 8.174 -9.823
160 HD13 LEU 326 HD13 LEU 326 18.496 9.017 -9.858
161 HD21 LEU 326 HD21 LEU 326 19.525 6.083 -11.917
162 HD22 LEU 326 HD22 LEU 326 18.765 4.885 -10.870
163 HD23 LEU 326 HD23 LEU 326 20.185 5.772 -10.312
164 H GLU 327 H GLU 327 14.094 6.680 -7.962
165 HA GLU 327 HA GLU 327 13.747 4.266 -9.714
166 HB2 GLU 327 HB2 GLU 327 12.783 4.812 -6.886
167 HB3 GLU 327 HB3 GLU 327 12.225 3.450 -7.859
168 HG2 GLU 327 HG2 GLU 327 15.028 3.381 -8.059
169 HG3 GLU 327 HG3 GLU 327 14.701 3.737 -6.364
Start of MODEL 10
1 HA LYS 308 HA LYS 308 -5.643 -9.938 -3.043
2 HB2 LYS 308 HB2 LYS 308 -4.568 -10.155 -5.363
3 HB3 LYS 308 HB3 LYS 308 -3.478 -8.859 -4.868
4 HG2 LYS 308 HG2 LYS 308 -2.214 -10.308 -3.700
5 HG3 LYS 308 HG3 LYS 308 -3.620 -10.839 -2.776
6 HD2 LYS 308 HD2 LYS 308 -3.805 -12.744 -3.973
7 HD3 LYS 308 HD3 LYS 308 -3.651 -11.884 -5.504
8 HE2 LYS 308 HE2 LYS 308 -1.177 -12.179 -3.841
9 HE3 LYS 308 HE3 LYS 308 -1.767 -13.607 -4.713
10 HZ1 LYS 308 HZ1 LYS 308 -0.290 -12.213 -6.087
11 HZ2 LYS 308 HZ2 LYS 308 -1.382 -10.920 -5.932
12 HZ3 LYS 308 HZ3 LYS 308 -1.848 -12.340 -6.743
13 H PHE 309 H PHE 309 -4.934 -9.301 -1.036
14 HA PHE 309 HA PHE 309 -3.444 -6.711 -0.794
15 HB2 PHE 309 HB2 PHE 309 -5.808 -7.723 0.824
16 HB3 PHE 309 HB3 PHE 309 -4.871 -6.287 1.232
17 HD1 PHE 309 HD1 PHE 309 -4.731 -4.392 -0.479
18 HD2 PHE 309 HD2 PHE 309 -7.533 -7.633 -0.801
19 HE1 PHE 309 HE2 PHE 309 -6.097 -3.055 -2.057
20 HE2 PHE 309 HE1 PHE 309 -8.898 -6.295 -2.380
21 HZ PHE 309 HZ PHE 309 -8.180 -4.007 -3.008
22 HA PRO 310 HA PRO 310 -0.944 -9.461 1.673
23 HB2 PRO 310 HB2 PRO 310 1.055 -7.679 2.210
24 HB3 PRO 310 HB3 PRO 310 0.872 -8.483 0.640
25 HG2 PRO 310 HG2 PRO 310 0.256 -5.706 1.417
26 HG3 PRO 310 HG3 PRO 310 0.728 -6.364 -0.154
27 HD2 PRO 310 HD2 PRO 310 -1.867 -5.650 0.650
28 HD3 PRO 310 HD3 PRO 310 -1.424 -6.577 -0.799
29 H ARG 311 H ARG 311 -3.111 -7.523 2.903
30 HA ARG 311 HA ARG 311 -3.760 -6.811 5.052
31 HB2 ARG 311 HB2 ARG 311 -2.845 -9.363 5.128
32 HB3 ARG 311 HB3 ARG 311 -1.737 -8.615 6.279
33 HG2 ARG 311 HG2 ARG 311 -4.197 -7.538 6.982
34 HG3 ARG 311 HG3 ARG 311 -4.592 -9.204 6.562
35 HD2 ARG 311 HD2 ARG 311 -3.095 -10.088 8.191
36 HD3 ARG 311 HD3 ARG 311 -2.279 -8.525 8.398
37 HE ARG 311 HE ARG 311 -4.391 -7.663 9.404
38 HH11 ARG 311 HH11 ARG 311 -6.373 -9.629 8.539
39 HH12 ARG 311 HH12 ARG 311 -6.532 -10.679 9.908
40 HH21 ARG 311 HH21 ARG 311 -3.559 -9.631 11.377
41 HH22 ARG 311 HH22 ARG 311 -4.929 -10.679 11.524
42 H ALA 312 H ALA 312 -1.464 -5.386 3.760
43 HA ALA 312 HA ALA 312 -0.500 -3.953 6.144
44 HB1 ALA 312 HB1 ALA 312 1.841 -4.461 5.751
45 HB2 ALA 312 HB2 ALA 312 1.448 -5.331 4.269
46 HB3 ALA 312 HB3 ALA 312 0.969 -5.991 5.832
47 H MET 313 H MET 313 1.189 -2.206 5.286
48 HA MET 313 HA MET 313 -0.076 -0.883 2.951
49 HB2 MET 313 HB2 MET 313 0.425 0.171 5.231
50 HB3 MET 313 HB3 MET 313 2.128 0.110 4.778
51 HG2 MET 313 HG2 MET 313 1.744 1.530 2.865
52 HG3 MET 313 HG3 MET 313 -0.002 1.446 3.089
53 HE1 MET 313 HE1 MET 313 -0.921 3.662 3.552
54 HE2 MET 313 HE2 MET 313 -0.905 4.205 5.229
55 HE3 MET 313 HE3 MET 313 -1.341 2.540 4.853
56 HA PRO 314 HA PRO 314 3.381 -2.491 0.563
57 HB2 PRO 314 HB2 PRO 314 2.458 -1.651 -1.871
58 HB3 PRO 314 HB3 PRO 314 1.878 -3.116 -1.061
59 HG2 PRO 314 HG2 PRO 314 0.620 -0.437 -1.257
60 HG3 PRO 314 HG3 PRO 314 -0.131 -2.038 -1.271
61 HD2 PRO 314 HD2 PRO 314 -0.096 -0.374 0.909
62 HD3 PRO 314 HD3 PRO 314 -0.247 -2.141 1.004
63 H ILE 315 H ILE 315 4.775 -1.410 -1.246
64 HA ILE 315 HA ILE 315 5.830 1.090 -0.210
65 HB ILE 315 HB ILE 315 6.810 -1.066 -1.492
66 HG12 ILE 315 HG12 ILE 315 8.217 0.543 -0.362
67 HG13 ILE 315 HG13 ILE 315 8.846 0.295 -1.988
68 HG21 ILE 315 HG21 ILE 315 6.578 1.021 -3.678
69 HG22 ILE 315 HG22 ILE 315 5.667 -0.488 -3.618
70 HG23 ILE 315 HG23 ILE 315 7.421 -0.525 -3.791
71 HD11 ILE 315 HD11 ILE 315 8.886 2.632 -1.769
72 HD12 ILE 315 HD12 ILE 315 7.358 2.669 -0.891
73 HD13 ILE 315 HD13 ILE 315 7.371 2.345 -2.624
74 H TRP 316 H TRP 316 3.789 0.225 -2.933
75 HA TRP 316 HA TRP 316 3.923 2.928 -4.099
76 HB2 TRP 316 HB2 TRP 316 2.421 1.891 -5.806
77 HB3 TRP 316 HB3 TRP 316 3.893 0.959 -5.544
78 HD1 TRP 316 HD1 TRP 316 3.682 -1.428 -4.514
79 HE1 TRP 316 HE1 TRP 316 1.664 -2.949 -3.969
80 HE3 TRP 316 HE3 TRP 316 -0.123 1.945 -4.980
81 HZ2 TRP 316 HZ2 TRP 316 -1.185 -2.751 -3.755
82 HZ3 TRP 316 HZ3 TRP 316 -2.472 1.259 -4.598
83 HH2 TRP 316 HH2 TRP 316 -3.006 -1.080 -3.985
84 H ALA 317 H ALA 317 2.082 1.468 -1.640
85 HA ALA 317 HA ALA 317 -0.104 3.488 -2.034
86 HB1 ALA 317 HB1 ALA 317 -0.527 1.004 -0.432
87 HB2 ALA 317 HB2 ALA 317 -0.407 0.824 -2.182
88 HB3 ALA 317 HB3 ALA 317 -1.651 1.862 -1.485
89 H ARG 318 H ARG 318 1.619 4.788 -0.751
90 HA ARG 318 HA ARG 318 1.233 4.326 2.192
91 HB2 ARG 318 HB2 ARG 318 3.637 4.845 0.486
92 HB3 ARG 318 HB3 ARG 318 3.610 5.573 2.091
93 HG2 ARG 318 HG2 ARG 318 3.599 3.516 3.177
94 HG3 ARG 318 HG3 ARG 318 2.880 2.679 1.801
95 HD2 ARG 318 HD2 ARG 318 4.956 2.033 1.170
96 HD3 ARG 318 HD3 ARG 318 5.370 3.737 0.905
97 HE ARG 318 HE ARG 318 6.441 3.764 3.023
98 HH11 ARG 318 HH11 ARG 318 6.289 0.639 2.260
99 HH12 ARG 318 HH12 ARG 318 6.033 0.006 3.851
100 HH21 ARG 318 HH21 ARG 318 5.317 3.105 5.255
101 HH22 ARG 318 HH22 ARG 318 5.477 1.406 5.552
102 HA PRO 319 HA PRO 319 0.011 8.554 2.508
103 HB2 PRO 319 HB2 PRO 319 1.493 9.524 4.604
104 HB3 PRO 319 HB3 PRO 319 0.119 8.420 4.818
105 HG2 PRO 319 HG2 PRO 319 3.042 7.816 4.775
106 HG3 PRO 319 HG3 PRO 319 1.777 7.186 5.846
107 HD2 PRO 319 HD2 PRO 319 2.734 5.763 3.768
108 HD3 PRO 319 HD3 PRO 319 1.039 5.650 4.293
109 H ASP 320 H ASP 320 3.511 8.052 2.615
110 HA ASP 320 HA ASP 320 3.966 10.652 1.211
111 HB2 ASP 320 HB2 ASP 320 5.122 9.614 3.431
112 HB3 ASP 320 HB3 ASP 320 6.194 8.935 2.205
113 H TYR 321 H TYR 321 2.848 8.377 -0.203
114 HA TYR 321 HA TYR 321 4.446 6.600 -1.562
115 HB2 TYR 321 HB2 TYR 321 2.063 6.777 -1.906
116 HB3 TYR 321 HB3 TYR 321 2.222 8.409 -2.550
117 HD1 TYR 321 HD1 TYR 321 4.023 5.174 -3.231
118 HD2 TYR 321 HD2 TYR 321 1.741 8.449 -4.823
119 HE1 TYR 321 HE1 TYR 321 4.298 4.256 -5.517
120 HE2 TYR 321 HE2 TYR 321 2.017 7.529 -7.109
121 HH TYR 321 HH TYR 321 2.921 4.452 -7.753
122 H ASN 322 H ASN 322 6.254 6.780 -2.764
123 HA ASN 322 HA ASN 322 7.495 9.274 -3.478
124 HB2 ASN 322 HB2 ASN 322 7.886 6.381 -4.306
125 HB3 ASN 322 HB3 ASN 322 8.979 7.670 -4.807
126 HD21 ASN 322 HD21 ASN 322 8.198 5.509 -2.210
127 HD22 ASN 322 HD22 ASN 322 9.277 6.153 -1.069
128 HA PRO 323 HA PRO 323 5.766 10.217 -7.409
129 HB2 PRO 323 HB2 PRO 323 7.953 10.838 -8.944
130 HB3 PRO 323 HB3 PRO 323 7.329 11.897 -7.664
131 HG2 PRO 323 HG2 PRO 323 9.623 9.996 -7.594
132 HG3 PRO 323 HG3 PRO 323 9.487 11.624 -6.909
133 HD2 PRO 323 HD2 PRO 323 9.243 9.384 -5.410
134 HD3 PRO 323 HD3 PRO 323 8.376 10.890 -5.035
135 HA PRO 324 HA PRO 324 5.997 6.329 -9.572
136 HB2 PRO 324 HB2 PRO 324 4.103 6.888 -11.468
137 HB3 PRO 324 HB3 PRO 324 3.703 6.471 -9.793
138 HG2 PRO 324 HG2 PRO 324 3.784 9.134 -11.112
139 HG3 PRO 324 HG3 PRO 324 2.657 8.508 -9.899
140 HD2 PRO 324 HD2 PRO 324 4.719 10.209 -9.328
141 HD3 PRO 324 HD3 PRO 324 4.021 9.070 -8.156
142 H LEU 325 H LEU 325 5.775 5.939 -12.251
143 HA LEU 325 HA LEU 325 6.982 6.051 -14.272
144 HB2 LEU 325 HB2 LEU 325 6.745 8.929 -13.377
145 HB3 LEU 325 HB3 LEU 325 7.528 8.506 -14.899
146 HG LEU 325 HG LEU 325 5.226 7.017 -15.037
147 HD11 LEU 325 HD11 LEU 325 4.120 7.894 -13.145
148 HD12 LEU 325 HD12 LEU 325 3.456 8.828 -14.485
149 HD13 LEU 325 HD13 LEU 325 4.702 9.530 -13.452
150 HD21 LEU 325 HD21 LEU 325 4.422 8.888 -16.544
151 HD22 LEU 325 HD22 LEU 325 6.070 8.348 -16.868
152 HD23 LEU 325 HD23 LEU 325 5.791 9.844 -15.976
153 H LEU 326 H LEU 326 8.725 4.842 -13.059
154 HA LEU 326 HA LEU 326 11.266 6.389 -13.133
155 HB2 LEU 326 HB2 LEU 326 11.846 5.531 -10.870
156 HB3 LEU 326 HB3 LEU 326 10.406 6.547 -10.830
157 HG LEU 326 HG LEU 326 9.733 3.753 -11.342
158 HD11 LEU 326 HD11 LEU 326 11.786 3.397 -9.976
159 HD12 LEU 326 HD12 LEU 326 10.325 2.877 -9.138
160 HD13 LEU 326 HD13 LEU 326 11.090 4.406 -8.708
161 HD21 LEU 326 HD21 LEU 326 9.028 5.684 -9.105
162 HD22 LEU 326 HD22 LEU 326 8.177 4.184 -9.476
163 HD23 LEU 326 HD23 LEU 326 8.150 5.521 -10.626
164 H GLU 327 H GLU 327 10.235 4.338 -14.913
165 HA GLU 327 HA GLU 327 11.797 1.898 -14.199
166 HB2 GLU 327 HB2 GLU 327 9.774 2.537 -16.373
167 HB3 GLU 327 HB3 GLU 327 10.518 0.956 -16.139
168 HG2 GLU 327 HG2 GLU 327 9.533 1.778 -13.604
169 HG3 GLU 327 HG3 GLU 327 8.250 2.087 -14.773
Start of MODEL 11
1 HA LYS 308 HA LYS 308 -2.194 -13.546 13.958
2 HB2 LYS 308 HB2 LYS 308 -3.867 -13.903 15.893
3 HB3 LYS 308 HB3 LYS 308 -5.007 -12.974 14.918
4 HG2 LYS 308 HG2 LYS 308 -4.997 -14.579 13.172
5 HG3 LYS 308 HG3 LYS 308 -3.533 -15.352 13.780
6 HD2 LYS 308 HD2 LYS 308 -5.160 -16.836 14.534
7 HD3 LYS 308 HD3 LYS 308 -5.004 -15.769 15.931
8 HE2 LYS 308 HE2 LYS 308 -6.882 -14.419 14.452
9 HE3 LYS 308 HE3 LYS 308 -7.285 -16.107 14.081
10 HZ1 LYS 308 HZ1 LYS 308 -7.179 -16.594 16.469
11 HZ2 LYS 308 HZ2 LYS 308 -8.372 -15.434 16.122
12 HZ3 LYS 308 HZ3 LYS 308 -6.888 -14.954 16.796
13 H PHE 309 H PHE 309 -2.696 -13.391 11.764
14 HA PHE 309 HA PHE 309 -3.227 -12.337 9.723
15 HB2 PHE 309 HB2 PHE 309 -5.488 -12.390 11.489
16 HB3 PHE 309 HB3 PHE 309 -5.554 -10.897 10.556
17 HD1 PHE 309 HD1 PHE 309 -5.567 -14.578 10.384
18 HD2 PHE 309 HD2 PHE 309 -5.770 -10.929 8.124
19 HE1 PHE 309 HE2 PHE 309 -6.336 -15.850 8.397
20 HE2 PHE 309 HE1 PHE 309 -6.539 -12.200 6.140
21 HZ PHE 309 HZ PHE 309 -6.823 -14.660 6.277
22 HA PRO 310 HA PRO 310 -1.527 -8.290 11.301
23 HB2 PRO 310 HB2 PRO 310 0.811 -8.395 9.878
24 HB3 PRO 310 HB3 PRO 310 0.630 -9.101 11.496
25 HG2 PRO 310 HG2 PRO 310 0.573 -10.431 8.834
26 HG3 PRO 310 HG3 PRO 310 1.286 -10.984 10.357
27 HD2 PRO 310 HD2 PRO 310 -1.097 -11.894 9.400
28 HD3 PRO 310 HD3 PRO 310 -0.694 -11.832 11.130
29 H ARG 311 H ARG 311 -1.281 -6.322 10.005
30 HA ARG 311 HA ARG 311 -2.655 -6.492 7.383
31 HB2 ARG 311 HB2 ARG 311 -1.882 -4.321 9.336
32 HB3 ARG 311 HB3 ARG 311 -2.468 -3.918 7.723
33 HG2 ARG 311 HG2 ARG 311 -4.029 -5.891 9.348
34 HG3 ARG 311 HG3 ARG 311 -4.161 -4.179 9.752
35 HD2 ARG 311 HD2 ARG 311 -4.383 -4.909 6.859
36 HD3 ARG 311 HD3 ARG 311 -5.762 -5.288 7.910
37 HE ARG 311 HE ARG 311 -4.604 -2.553 7.551
38 HH11 ARG 311 HH11 ARG 311 -5.849 -2.721 10.184
39 HH12 ARG 311 HH12 ARG 311 -7.513 -2.355 9.877
40 HH21 ARG 311 HH21 ARG 311 -7.278 -2.945 6.458
41 HH22 ARG 311 HH22 ARG 311 -8.327 -2.484 7.757
42 H ALA 312 H ALA 312 -1.443 -6.639 5.543
43 HA ALA 312 HA ALA 312 1.428 -5.875 5.591
44 HB1 ALA 312 HB1 ALA 312 1.508 -7.175 3.542
45 HB2 ALA 312 HB2 ALA 312 -0.252 -7.164 3.417
46 HB3 ALA 312 HB3 ALA 312 0.534 -8.069 4.710
47 H MET 313 H MET 313 2.039 -3.886 4.846
48 HA MET 313 HA MET 313 0.207 -2.436 2.962
49 HB2 MET 313 HB2 MET 313 1.930 -1.660 5.290
50 HB3 MET 313 HB3 MET 313 1.664 -0.470 4.015
51 HG2 MET 313 HG2 MET 313 -0.650 -1.972 5.232
52 HG3 MET 313 HG3 MET 313 -0.008 -0.519 6.000
53 HE1 MET 313 HE1 MET 313 -3.207 0.861 4.413
54 HE2 MET 313 HE2 MET 313 -2.095 1.035 5.769
55 HE3 MET 313 HE3 MET 313 -2.812 -0.536 5.423
56 HA PRO 314 HA PRO 314 3.668 -3.004 0.179
57 HB2 PRO 314 HB2 PRO 314 2.546 -1.706 -1.956
58 HB3 PRO 314 HB3 PRO 314 2.127 -3.366 -1.498
59 HG2 PRO 314 HG2 PRO 314 0.660 -0.832 -0.976
60 HG3 PRO 314 HG3 PRO 314 0.032 -2.435 -1.390
61 HD2 PRO 314 HD2 PRO 314 0.018 -1.419 1.141
62 HD3 PRO 314 HD3 PRO 314 0.080 -3.158 0.779
63 H ILE 315 H ILE 315 4.638 -1.236 -1.571
64 HA ILE 315 HA ILE 315 5.421 1.081 0.115
65 HB ILE 315 HB ILE 315 6.476 0.228 -2.595
66 HG12 ILE 315 HG12 ILE 315 8.187 -0.586 -0.436
67 HG13 ILE 315 HG13 ILE 315 6.577 -1.247 -0.152
68 HG21 ILE 315 HG21 ILE 315 8.527 1.358 -1.798
69 HG22 ILE 315 HG22 ILE 315 7.708 1.775 -0.294
70 HG23 ILE 315 HG23 ILE 315 7.152 2.463 -1.819
71 HD11 ILE 315 HD11 ILE 315 8.175 -1.514 -2.715
72 HD12 ILE 315 HD12 ILE 315 6.550 -2.149 -2.457
73 HD13 ILE 315 HD13 ILE 315 7.906 -2.791 -1.528
74 H TRP 316 H TRP 316 4.095 0.411 -3.114
75 HA TRP 316 HA TRP 316 3.885 3.104 -4.019
76 HB2 TRP 316 HB2 TRP 316 2.415 2.148 -5.710
77 HB3 TRP 316 HB3 TRP 316 3.724 1.016 -5.388
78 HD1 TRP 316 HD1 TRP 316 3.117 -1.310 -4.406
79 HE1 TRP 316 HE1 TRP 316 0.895 -2.502 -3.872
80 HE3 TRP 316 HE3 TRP 316 -0.123 2.614 -4.852
81 HZ2 TRP 316 HZ2 TRP 316 -1.887 -1.877 -3.665
82 HZ3 TRP 316 HZ3 TRP 316 -2.550 2.287 -4.484
83 HH2 TRP 316 HH2 TRP 316 -3.436 0.049 -3.890
84 H ALA 317 H ALA 317 1.891 1.335 -1.754
85 HA ALA 317 HA ALA 317 -0.265 3.390 -1.955
86 HB1 ALA 317 HB1 ALA 317 -0.101 0.836 -0.322
87 HB2 ALA 317 HB2 ALA 317 -0.724 0.911 -1.971
88 HB3 ALA 317 HB3 ALA 317 -1.553 1.772 -0.675
89 H ARG 318 H ARG 318 1.541 4.892 -0.983
90 HA ARG 318 HA ARG 318 1.223 4.871 1.989
91 HB2 ARG 318 HB2 ARG 318 3.603 4.455 0.408
92 HB3 ARG 318 HB3 ARG 318 3.766 5.941 1.342
93 HG2 ARG 318 HG2 ARG 318 4.299 4.646 3.111
94 HG3 ARG 318 HG3 ARG 318 2.609 4.140 3.137
95 HD2 ARG 318 HD2 ARG 318 3.795 2.090 2.994
96 HD3 ARG 318 HD3 ARG 318 3.352 2.415 1.306
97 HE ARG 318 HE ARG 318 5.622 3.039 0.856
98 HH11 ARG 318 HH11 ARG 318 6.150 0.733 2.771
99 HH12 ARG 318 HH12 ARG 318 7.311 1.439 3.845
100 HH21 ARG 318 HH21 ARG 318 6.623 4.701 2.863
101 HH22 ARG 318 HH22 ARG 318 7.577 3.694 3.898
102 HA PRO 319 HA PRO 319 0.411 9.158 1.521
103 HB2 PRO 319 HB2 PRO 319 1.621 10.271 3.706
104 HB3 PRO 319 HB3 PRO 319 0.145 9.293 3.801
105 HG2 PRO 319 HG2 PRO 319 2.946 8.555 4.437
106 HG3 PRO 319 HG3 PRO 319 1.436 8.028 5.193
107 HD2 PRO 319 HD2 PRO 319 2.905 6.539 3.397
108 HD3 PRO 319 HD3 PRO 319 1.181 6.297 3.750
109 H ASP 320 H ASP 320 3.787 9.096 2.760
110 HA ASP 320 HA ASP 320 4.558 10.850 0.446
111 HB2 ASP 320 HB2 ASP 320 4.470 11.394 3.221
112 HB3 ASP 320 HB3 ASP 320 6.179 11.231 2.815
113 H TYR 321 H TYR 321 4.849 7.959 0.504
114 HA TYR 321 HA TYR 321 7.533 7.210 1.278
115 HB2 TYR 321 HB2 TYR 321 6.950 5.104 0.280
116 HB3 TYR 321 HB3 TYR 321 5.486 5.731 1.024
117 HD1 TYR 321 HD1 TYR 321 3.758 6.907 -0.463
118 HD2 TYR 321 HD2 TYR 321 7.063 4.665 -2.040
119 HE1 TYR 321 HE2 TYR 321 2.604 6.744 -2.645
120 HE2 TYR 321 HE1 TYR 321 5.903 4.496 -4.221
121 HH TYR 321 HH TYR 321 3.470 6.397 -5.166
122 H ASN 322 H ASN 322 9.022 6.218 -0.492
123 HA ASN 322 HA ASN 322 10.015 8.305 -2.163
124 HB2 ASN 322 HB2 ASN 322 11.699 6.766 -2.634
125 HB3 ASN 322 HB3 ASN 322 11.037 6.079 -1.155
126 HD21 ASN 322 HD21 ASN 322 9.692 4.114 -1.362
127 HD22 ASN 322 HD22 ASN 322 9.707 3.198 -2.788
128 HA PRO 323 HA PRO 323 7.500 7.995 -5.769
129 HB2 PRO 323 HB2 PRO 323 9.250 8.979 -7.636
130 HB3 PRO 323 HB3 PRO 323 8.423 10.004 -6.445
131 HG2 PRO 323 HG2 PRO 323 11.204 8.936 -6.414
132 HG3 PRO 323 HG3 PRO 323 10.601 10.530 -5.933
133 HD2 PRO 323 HD2 PRO 323 11.216 8.576 -4.148
134 HD3 PRO 323 HD3 PRO 323 9.971 9.809 -3.848
135 HA PRO 324 HA PRO 324 9.107 4.038 -7.208
136 HB2 PRO 324 HB2 PRO 324 6.722 3.109 -8.169
137 HB3 PRO 324 HB3 PRO 324 7.151 3.072 -6.450
138 HG2 PRO 324 HG2 PRO 324 5.353 4.917 -7.910
139 HG3 PRO 324 HG3 PRO 324 5.246 4.308 -6.252
140 HD2 PRO 324 HD2 PRO 324 6.140 6.828 -6.974
141 HD3 PRO 324 HD3 PRO 324 6.480 6.024 -5.427
142 H LEU 325 H LEU 325 8.387 2.828 -9.486
143 HA LEU 325 HA LEU 325 8.669 2.886 -11.826
144 HB2 LEU 325 HB2 LEU 325 6.534 4.454 -11.070
145 HB3 LEU 325 HB3 LEU 325 7.476 5.581 -12.046
146 HG LEU 325 HG LEU 325 6.733 2.788 -12.962
147 HD11 LEU 325 HD11 LEU 325 5.029 3.899 -14.359
148 HD12 LEU 325 HD12 LEU 325 5.433 5.449 -13.620
149 HD13 LEU 325 HD13 LEU 325 4.711 4.169 -12.645
150 HD21 LEU 325 HD21 LEU 325 7.259 3.907 -15.214
151 HD22 LEU 325 HD22 LEU 325 8.638 3.579 -14.165
152 HD23 LEU 325 HD23 LEU 325 7.983 5.213 -14.274
153 H LEU 326 H LEU 326 11.015 3.545 -10.655
154 HA LEU 326 HA LEU 326 11.953 6.036 -12.041
155 HB2 LEU 326 HB2 LEU 326 12.240 4.957 -9.376
156 HB3 LEU 326 HB3 LEU 326 13.831 5.112 -10.119
157 HG LEU 326 HG LEU 326 13.183 7.186 -8.934
158 HD11 LEU 326 HD11 LEU 326 13.090 7.656 -11.922
159 HD12 LEU 326 HD12 LEU 326 14.564 7.179 -11.080
160 HD13 LEU 326 HD13 LEU 326 13.777 8.706 -10.682
161 HD21 LEU 326 HD21 LEU 326 11.268 8.455 -9.536
162 HD22 LEU 326 HD22 LEU 326 10.684 6.794 -9.442
163 HD23 LEU 326 HD23 LEU 326 11.014 7.526 -11.013
164 H GLU 327 H GLU 327 12.594 5.172 -14.039
165 HA GLU 327 HA GLU 327 14.917 3.302 -13.962
166 HB2 GLU 327 HB2 GLU 327 13.828 2.034 -15.851
167 HB3 GLU 327 HB3 GLU 327 12.962 1.906 -14.321
168 HG2 GLU 327 HG2 GLU 327 11.132 2.959 -15.148
169 HG3 GLU 327 HG3 GLU 327 12.101 4.205 -15.933
Start of MODEL 12
1 HA LYS 308 HA LYS 308 -0.828 4.040 17.125
2 HB2 LYS 308 HB2 LYS 308 0.150 5.112 19.185
3 HB3 LYS 308 HB3 LYS 308 0.736 3.524 19.678
4 HG2 LYS 308 HG2 LYS 308 1.910 3.404 17.408
5 HG3 LYS 308 HG3 LYS 308 1.542 5.122 17.238
6 HD2 LYS 308 HD2 LYS 308 2.740 5.591 19.346
7 HD3 LYS 308 HD3 LYS 308 3.107 3.875 19.520
8 HE2 LYS 308 HE2 LYS 308 3.901 4.719 16.880
9 HE3 LYS 308 HE3 LYS 308 4.611 5.815 18.080
10 HZ1 LYS 308 HZ1 LYS 308 5.490 3.995 19.294
11 HZ2 LYS 308 HZ2 LYS 308 5.905 3.722 17.670
12 HZ3 LYS 308 HZ3 LYS 308 4.625 2.859 18.376
13 H PHE 309 H PHE 309 -1.199 2.127 15.926
14 HA PHE 309 HA PHE 309 0.397 -0.255 16.787
15 HB2 PHE 309 HB2 PHE 309 -2.469 0.058 16.633
16 HB3 PHE 309 HB3 PHE 309 -1.947 -1.149 15.459
17 HD1 PHE 309 HD1 PHE 309 -0.688 -3.157 16.186
18 HD2 PHE 309 HD2 PHE 309 -2.250 -0.322 19.011
19 HE1 PHE 309 HE1 PHE 309 -0.371 -4.803 18.014
20 HE2 PHE 309 HE2 PHE 309 -1.935 -1.969 20.838
21 HZ PHE 309 HZ PHE 309 -0.994 -4.209 20.339
22 HA PRO 310 HA PRO 310 1.621 0.482 12.522
23 HB2 PRO 310 HB2 PRO 310 3.748 -1.239 12.549
24 HB3 PRO 310 HB3 PRO 310 3.817 0.392 13.245
25 HG2 PRO 310 HG2 PRO 310 3.488 -2.231 14.603
26 HG3 PRO 310 HG3 PRO 310 4.387 -0.797 15.118
27 HD2 PRO 310 HD2 PRO 310 1.922 -1.498 16.090
28 HD3 PRO 310 HD3 PRO 310 2.551 0.163 16.074
29 H ARG 311 H ARG 311 1.385 -0.770 10.582
30 HA ARG 311 HA ARG 311 0.640 -3.645 10.890
31 HB2 ARG 311 HB2 ARG 311 -1.400 -3.247 9.572
32 HB3 ARG 311 HB3 ARG 311 -1.402 -2.232 11.012
33 HG2 ARG 311 HG2 ARG 311 -1.568 -0.388 9.736
34 HG3 ARG 311 HG3 ARG 311 -0.072 -0.810 8.903
35 HD2 ARG 311 HD2 ARG 311 -1.534 -0.875 7.097
36 HD3 ARG 311 HD3 ARG 311 -1.726 -2.545 7.666
37 HE ARG 311 HE ARG 311 -3.567 -0.308 8.453
38 HH11 ARG 311 HH11 ARG 311 -3.663 -2.934 6.511
39 HH12 ARG 311 HH12 ARG 311 -4.908 -3.792 7.354
40 HH21 ARG 311 HH21 ARG 311 -4.835 -1.704 10.132
41 HH22 ARG 311 HH22 ARG 311 -5.573 -3.094 9.410
42 H ALA 312 H ALA 312 0.661 -4.793 8.771
43 HA ALA 312 HA ALA 312 2.967 -4.159 7.180
44 HB1 ALA 312 HB1 ALA 312 0.586 -5.975 6.677
45 HB2 ALA 312 HB2 ALA 312 2.064 -6.421 7.529
46 HB3 ALA 312 HB3 ALA 312 2.118 -6.053 5.805
47 H MET 313 H MET 313 3.151 -2.834 5.405
48 HA MET 313 HA MET 313 0.671 -2.076 3.908
49 HB2 MET 313 HB2 MET 313 2.559 -0.424 5.494
50 HB3 MET 313 HB3 MET 313 2.105 0.242 3.926
51 HG2 MET 313 HG2 MET 313 -0.044 0.629 4.571
52 HG3 MET 313 HG3 MET 313 -0.142 -0.877 5.484
53 HE1 MET 313 HE1 MET 313 0.141 2.623 5.253
54 HE2 MET 313 HE2 MET 313 1.820 2.764 5.769
55 HE3 MET 313 HE3 MET 313 0.528 3.299 6.841
56 HA PRO 314 HA PRO 314 3.260 -2.696 0.395
57 HB2 PRO 314 HB2 PRO 314 1.975 -1.134 -1.444
58 HB3 PRO 314 HB3 PRO 314 1.329 -2.680 -0.867
59 HG2 PRO 314 HG2 PRO 314 0.548 0.083 -0.146
60 HG3 PRO 314 HG3 PRO 314 -0.441 -1.378 -0.257
61 HD2 PRO 314 HD2 PRO 314 0.481 -0.247 2.095
62 HD3 PRO 314 HD3 PRO 314 -0.076 -1.923 1.911
63 H ILE 315 H ILE 315 4.145 -1.115 -1.554
64 HA ILE 315 HA ILE 315 5.640 1.057 -0.151
65 HB ILE 315 HB ILE 315 6.123 -0.357 -2.796
66 HG12 ILE 315 HG12 ILE 315 6.300 -1.982 -1.018
67 HG13 ILE 315 HG13 ILE 315 7.940 -1.526 -1.474
68 HG21 ILE 315 HG21 ILE 315 8.349 0.604 -2.686
69 HG22 ILE 315 HG22 ILE 315 8.011 1.305 -1.103
70 HG23 ILE 315 HG23 ILE 315 7.172 1.909 -2.532
71 HD11 ILE 315 HD11 ILE 315 7.726 0.256 0.413
72 HD12 ILE 315 HD12 ILE 315 7.994 -1.423 0.877
73 HD13 ILE 315 HD13 ILE 315 6.376 -0.729 0.976
74 H TRP 316 H TRP 316 3.947 0.405 -3.209
75 HA TRP 316 HA TRP 316 4.023 3.133 -4.154
76 HB2 TRP 316 HB2 TRP 316 2.521 2.266 -5.886
77 HB3 TRP 316 HB3 TRP 316 3.804 1.102 -5.576
78 HD1 TRP 316 HD1 TRP 316 3.158 -1.164 -4.341
79 HE1 TRP 316 HE1 TRP 316 0.893 -2.348 -3.986
80 HE3 TRP 316 HE3 TRP 316 -0.034 2.663 -5.470
81 HZ2 TRP 316 HZ2 TRP 316 -1.899 -1.752 -4.157
82 HZ3 TRP 316 HZ3 TRP 316 -2.487 2.327 -5.367
83 HH2 TRP 316 HH2 TRP 316 -3.422 0.127 -4.712
84 H ALA 317 H ALA 317 1.734 1.313 -2.182
85 HA ALA 317 HA ALA 317 -0.157 3.629 -2.187
86 HB1 ALA 317 HB1 ALA 317 -0.289 0.703 -1.875
87 HB2 ALA 317 HB2 ALA 317 -1.537 1.828 -2.411
88 HB3 ALA 317 HB3 ALA 317 -1.260 1.575 -0.688
89 H ARG 318 H ARG 318 1.635 4.752 -0.866
90 HA ARG 318 HA ARG 318 1.287 4.098 2.037
91 HB2 ARG 318 HB2 ARG 318 3.679 4.394 0.309
92 HB3 ARG 318 HB3 ARG 318 3.781 5.182 1.885
93 HG2 ARG 318 HG2 ARG 318 2.616 2.520 2.095
94 HG3 ARG 318 HG3 ARG 318 4.219 2.474 1.362
95 HD2 ARG 318 HD2 ARG 318 3.624 4.004 3.914
96 HD3 ARG 318 HD3 ARG 318 4.240 2.340 3.894
97 HE ARG 318 HE ARG 318 5.838 3.969 2.146
98 HH11 ARG 318 HH11 ARG 318 5.778 5.806 4.466
99 HH12 ARG 318 HH12 ARG 318 7.063 5.213 5.463
100 HH21 ARG 318 HH21 ARG 318 7.233 2.133 3.853
101 HH22 ARG 318 HH22 ARG 318 7.890 3.121 5.114
102 HA PRO 319 HA PRO 319 0.107 8.384 2.143
103 HB2 PRO 319 HB2 PRO 319 0.012 8.651 4.866
104 HB3 PRO 319 HB3 PRO 319 -1.257 7.838 3.928
105 HG2 PRO 319 HG2 PRO 319 0.965 6.667 5.521
106 HG3 PRO 319 HG3 PRO 319 -0.705 6.112 5.335
107 HD2 PRO 319 HD2 PRO 319 1.414 4.995 4.026
108 HD3 PRO 319 HD3 PRO 319 -0.251 4.976 3.405
109 H ASP 320 H ASP 320 2.703 7.196 4.270
110 HA ASP 320 HA ASP 320 4.108 9.830 4.004
111 HB2 ASP 320 HB2 ASP 320 4.307 7.550 6.004
112 HB3 ASP 320 HB3 ASP 320 5.325 8.988 6.044
113 H TYR 321 H TYR 321 4.144 7.838 1.875
114 HA TYR 321 HA TYR 321 6.423 6.127 1.918
115 HB2 TYR 321 HB2 TYR 321 4.526 6.045 0.317
116 HB3 TYR 321 HB3 TYR 321 5.066 7.566 -0.385
117 HD1 TYR 321 HD1 TYR 321 7.149 4.691 0.793
118 HD2 TYR 321 HD2 TYR 321 5.734 6.961 -2.569
119 HE1 TYR 321 HE2 TYR 321 8.708 3.465 -0.690
120 HE2 TYR 321 HE1 TYR 321 7.295 5.734 -4.052
121 HH TYR 321 HH TYR 321 8.475 3.144 -3.737
122 H ASN 322 H ASN 322 8.563 6.555 1.655
123 HA ASN 322 HA ASN 322 9.530 9.306 1.520
124 HB2 ASN 322 HB2 ASN 322 11.684 8.259 1.834
125 HB3 ASN 322 HB3 ASN 322 10.533 7.346 2.805
126 HD21 ASN 322 HD21 ASN 322 10.155 5.125 2.232
127 HD22 ASN 322 HD22 ASN 322 10.972 4.352 0.961
128 HA PRO 323 HA PRO 323 10.013 9.594 -2.847
129 HB2 PRO 323 HB2 PRO 323 12.244 11.168 -3.047
130 HB3 PRO 323 HB3 PRO 323 10.662 11.790 -2.532
131 HG2 PRO 323 HG2 PRO 323 13.036 11.067 -0.894
132 HG3 PRO 323 HG3 PRO 323 11.887 12.398 -0.692
133 HD2 PRO 323 HD2 PRO 323 11.829 10.098 0.785
134 HD3 PRO 323 HD3 PRO 323 10.401 11.108 0.468
135 HA PRO 324 HA PRO 324 13.036 6.271 -3.356
136 HB2 PRO 324 HB2 PRO 324 11.981 5.301 -5.684
137 HB3 PRO 324 HB3 PRO 324 11.313 4.918 -4.087
138 HG2 PRO 324 HG2 PRO 324 10.343 6.834 -6.134
139 HG3 PRO 324 HG3 PRO 324 9.427 5.823 -5.007
140 HD2 PRO 324 HD2 PRO 324 9.889 8.520 -4.675
141 HD3 PRO 324 HD3 PRO 324 9.490 7.391 -3.364
142 H LEU 325 H LEU 325 14.182 5.556 -5.621
143 HA LEU 325 HA LEU 325 15.224 8.095 -6.823
144 HB2 LEU 325 HB2 LEU 325 17.247 6.763 -7.245
145 HB3 LEU 325 HB3 LEU 325 16.783 6.624 -5.551
146 HG LEU 325 HG LEU 325 15.462 4.578 -7.128
147 HD11 LEU 325 HD11 LEU 325 18.493 4.514 -7.165
148 HD12 LEU 325 HD12 LEU 325 17.503 4.923 -8.566
149 HD13 LEU 325 HD13 LEU 325 17.398 3.314 -7.850
150 HD21 LEU 325 HD21 LEU 325 16.302 3.156 -5.398
151 HD22 LEU 325 HD22 LEU 325 15.958 4.700 -4.618
152 HD23 LEU 325 HD23 LEU 325 17.619 4.268 -5.025
153 H LEU 326 H LEU 326 12.742 6.666 -7.715
154 HA LEU 326 HA LEU 326 13.577 5.661 -10.405
155 HB2 LEU 326 HB2 LEU 326 11.488 5.080 -8.431
156 HB3 LEU 326 HB3 LEU 326 10.827 5.292 -10.050
157 HG LEU 326 HG LEU 326 11.425 2.937 -9.660
158 HD11 LEU 326 HD11 LEU 326 11.871 4.275 -11.902
159 HD12 LEU 326 HD12 LEU 326 12.409 2.604 -11.735
160 HD13 LEU 326 HD13 LEU 326 13.558 3.925 -11.520
161 HD21 LEU 326 HD21 LEU 326 14.273 3.942 -9.361
162 HD22 LEU 326 HD22 LEU 326 13.723 2.271 -9.244
163 HD23 LEU 326 HD23 LEU 326 13.256 3.440 -8.010
164 H GLU 327 H GLU 327 13.990 8.194 -10.648
165 HA GLU 327 HA GLU 327 11.553 9.331 -11.950
166 HB2 GLU 327 HB2 GLU 327 12.156 11.529 -10.857
167 HB3 GLU 327 HB3 GLU 327 11.627 10.288 -9.725
168 HG2 GLU 327 HG2 GLU 327 13.674 10.146 -8.730
169 HG3 GLU 327 HG3 GLU 327 14.537 10.314 -10.258
Start of MODEL 13
1 HA LYS 308 HA LYS 308 -8.814 -8.861 4.905
2 HB2 LYS 308 HB2 LYS 308 -10.080 -8.395 2.270
3 HB3 LYS 308 HB3 LYS 308 -8.338 -8.672 2.208
4 HG2 LYS 308 HG2 LYS 308 -8.593 -10.755 3.472
5 HG3 LYS 308 HG3 LYS 308 -10.328 -10.471 3.627
6 HD2 LYS 308 HD2 LYS 308 -10.739 -10.906 1.373
7 HD3 LYS 308 HD3 LYS 308 -9.089 -10.516 0.891
8 HE2 LYS 308 HE2 LYS 308 -9.496 -12.853 2.732
9 HE3 LYS 308 HE3 LYS 308 -9.882 -13.055 1.012
10 HZ1 LYS 308 HZ1 LYS 308 -7.515 -13.503 1.545
11 HZ2 LYS 308 HZ2 LYS 308 -7.341 -11.884 2.027
12 HZ3 LYS 308 HZ3 LYS 308 -7.720 -12.257 0.413
13 H PHE 309 H PHE 309 -6.802 -8.020 5.321
14 HA PHE 309 HA PHE 309 -5.931 -5.547 3.893
15 HB2 PHE 309 HB2 PHE 309 -6.871 -5.760 6.594
16 HB3 PHE 309 HB3 PHE 309 -5.145 -5.400 6.643
17 HD1 PHE 309 HD1 PHE 309 -4.248 -3.353 5.597
18 HD2 PHE 309 HD2 PHE 309 -8.464 -4.181 5.665
19 HE1 PHE 309 HE2 PHE 309 -4.721 -0.996 4.996
20 HE2 PHE 309 HE1 PHE 309 -8.935 -1.822 5.063
21 HZ PHE 309 HZ PHE 309 -7.065 -0.229 4.729
22 HA PRO 310 HA PRO 310 -2.252 -8.052 3.807
23 HB2 PRO 310 HB2 PRO 310 -0.640 -6.243 2.539
24 HB3 PRO 310 HB3 PRO 310 -1.888 -7.178 1.694
25 HG2 PRO 310 HG2 PRO 310 -1.924 -4.350 2.585
26 HG3 PRO 310 HG3 PRO 310 -2.643 -5.093 1.150
27 HD2 PRO 310 HD2 PRO 310 -4.032 -4.395 3.429
28 HD3 PRO 310 HD3 PRO 310 -4.574 -5.593 2.234
29 H ARG 311 H ARG 311 0.283 -7.349 4.232
30 HA ARG 311 HA ARG 311 0.422 -6.562 7.016
31 HB2 ARG 311 HB2 ARG 311 2.345 -7.183 4.781
32 HB3 ARG 311 HB3 ARG 311 2.962 -6.520 6.294
33 HG2 ARG 311 HG2 ARG 311 2.993 -8.675 7.006
34 HG3 ARG 311 HG3 ARG 311 1.251 -8.477 7.195
35 HD2 ARG 311 HD2 ARG 311 0.926 -10.082 5.631
36 HD3 ARG 311 HD3 ARG 311 1.757 -9.067 4.437
37 HE ARG 311 HE ARG 311 3.895 -10.088 5.177
38 HH11 ARG 311 HH11 ARG 311 3.215 -11.138 7.830
39 HH12 ARG 311 HH12 ARG 311 2.935 -12.821 7.537
40 HH21 ARG 311 HH21 ARG 311 2.554 -12.426 4.104
41 HH22 ARG 311 HH22 ARG 311 2.561 -13.555 5.418
42 H ALA 312 H ALA 312 -0.440 -4.425 7.186
43 HA ALA 312 HA ALA 312 -0.378 -2.069 7.159
44 HB1 ALA 312 HB1 ALA 312 1.796 -1.194 7.451
45 HB2 ALA 312 HB2 ALA 312 2.514 -2.366 6.345
46 HB3 ALA 312 HB3 ALA 312 1.976 -2.877 7.945
47 H MET 313 H MET 313 1.242 -0.368 5.475
48 HA MET 313 HA MET 313 -0.222 -0.694 2.923
49 HB2 MET 313 HB2 MET 313 1.345 1.441 4.346
50 HB3 MET 313 HB3 MET 313 1.055 1.601 2.615
51 HG2 MET 313 HG2 MET 313 -1.090 2.198 2.956
52 HG3 MET 313 HG3 MET 313 -1.370 0.801 3.994
53 HE1 MET 313 HE1 MET 313 -3.056 2.528 4.780
54 HE2 MET 313 HE2 MET 313 -2.777 3.390 6.291
55 HE3 MET 313 HE3 MET 313 -2.613 1.637 6.244
56 HA PRO 314 HA PRO 314 3.296 -2.330 0.812
57 HB2 PRO 314 HB2 PRO 314 2.596 -1.700 -1.754
58 HB3 PRO 314 HB3 PRO 314 1.823 -3.001 -0.832
59 HG2 PRO 314 HG2 PRO 314 0.849 -0.262 -1.420
60 HG3 PRO 314 HG3 PRO 314 -0.053 -1.778 -1.289
61 HD2 PRO 314 HD2 PRO 314 0.053 0.151 0.671
62 HD3 PRO 314 HD3 PRO 314 -0.327 -1.560 0.958
63 H ILE 315 H ILE 315 4.678 -1.442 -1.307
64 HA ILE 315 HA ILE 315 5.930 1.045 -0.347
65 HB ILE 315 HB ILE 315 6.603 -0.555 -2.827
66 HG12 ILE 315 HG12 ILE 315 6.404 -2.179 -1.009
67 HG13 ILE 315 HG13 ILE 315 8.108 -1.914 -1.365
68 HG21 ILE 315 HG21 ILE 315 7.849 1.503 -2.595
69 HG22 ILE 315 HG22 ILE 315 8.925 0.169 -2.178
70 HG23 ILE 315 HG23 ILE 315 8.205 1.152 -0.903
71 HD11 ILE 315 HD11 ILE 315 8.224 -1.664 0.912
72 HD12 ILE 315 HD12 ILE 315 6.538 -1.165 1.047
73 HD13 ILE 315 HD13 ILE 315 7.760 -0.009 0.516
74 H TRP 316 H TRP 316 3.475 0.286 -2.590
75 HA TRP 316 HA TRP 316 3.970 2.791 -4.145
76 HB2 TRP 316 HB2 TRP 316 2.590 1.722 -5.865
77 HB3 TRP 316 HB3 TRP 316 3.857 0.607 -5.357
78 HD1 TRP 316 HD1 TRP 316 3.152 -1.571 -4.078
79 HE1 TRP 316 HE1 TRP 316 0.872 -2.690 -3.629
80 HE3 TRP 316 HE3 TRP 316 0.018 2.236 -5.409
81 HZ2 TRP 316 HZ2 TRP 316 -1.913 -2.054 -3.810
82 HZ3 TRP 316 HZ3 TRP 316 -2.439 1.954 -5.261
83 HH2 TRP 316 HH2 TRP 316 -3.406 -0.182 -4.463
84 H ALA 317 H ALA 317 2.005 1.529 -1.660
85 HA ALA 317 HA ALA 317 -0.013 3.697 -2.126
86 HB1 ALA 317 HB1 ALA 317 -0.402 0.946 -2.303
87 HB2 ALA 317 HB2 ALA 317 -1.671 2.149 -2.080
88 HB3 ALA 317 HB3 ALA 317 -0.973 1.336 -0.681
89 H ARG 318 H ARG 318 1.667 4.777 -0.609
90 HA ARG 318 HA ARG 318 0.957 4.151 2.232
91 HB2 ARG 318 HB2 ARG 318 3.542 4.356 0.824
92 HB3 ARG 318 HB3 ARG 318 3.471 5.268 2.333
93 HG2 ARG 318 HG2 ARG 318 2.647 3.240 3.502
94 HG3 ARG 318 HG3 ARG 318 2.786 2.332 1.997
95 HD2 ARG 318 HD2 ARG 318 4.921 1.867 2.611
96 HD3 ARG 318 HD3 ARG 318 5.290 3.576 2.309
97 HE ARG 318 HE ARG 318 4.692 4.023 4.695
98 HH11 ARG 318 HH11 ARG 318 7.105 2.326 4.850
99 HH12 ARG 318 HH12 ARG 318 6.616 1.050 5.915
100 HH21 ARG 318 HH21 ARG 318 3.223 1.702 5.570
101 HH22 ARG 318 HH22 ARG 318 4.413 0.695 6.324
102 HA PRO 319 HA PRO 319 -0.085 8.380 2.622
103 HB2 PRO 319 HB2 PRO 319 0.738 8.963 5.167
104 HB3 PRO 319 HB3 PRO 319 -0.680 7.961 4.800
105 HG2 PRO 319 HG2 PRO 319 2.053 7.136 5.627
106 HG3 PRO 319 HG3 PRO 319 0.485 6.440 6.053
107 HD2 PRO 319 HD2 PRO 319 2.182 5.372 4.192
108 HD3 PRO 319 HD3 PRO 319 0.423 5.123 4.197
109 H ASP 320 H ASP 320 2.917 8.426 4.561
110 HA ASP 320 HA ASP 320 4.009 10.467 2.650
111 HB2 ASP 320 HB2 ASP 320 3.232 10.656 5.375
112 HB3 ASP 320 HB3 ASP 320 4.992 10.747 5.347
113 H TYR 321 H TYR 321 4.635 7.633 2.488
114 HA TYR 321 HA TYR 321 7.146 7.086 3.835
115 HB2 TYR 321 HB2 TYR 321 6.987 5.024 2.736
116 HB3 TYR 321 HB3 TYR 321 5.302 5.523 2.804
117 HD1 TYR 321 HD1 TYR 321 4.474 6.970 0.720
118 HD2 TYR 321 HD2 TYR 321 7.887 4.358 0.693
119 HE1 TYR 321 HE2 TYR 321 4.344 6.825 -1.747
120 HE2 TYR 321 HE1 TYR 321 7.753 4.214 -1.777
121 HH TYR 321 HH TYR 321 5.795 4.513 -3.530
122 H ASN 322 H ASN 322 9.090 6.448 2.326
123 HA ASN 322 HA ASN 322 10.244 8.774 1.207
124 HB2 ASN 322 HB2 ASN 322 11.935 7.192 0.353
125 HB3 ASN 322 HB3 ASN 322 11.438 6.739 1.981
126 HD21 ASN 322 HD21 ASN 322 10.532 4.650 2.258
127 HD22 ASN 322 HD22 ASN 322 10.182 3.596 0.974
128 HA PRO 323 HA PRO 323 8.689 9.096 -2.890
129 HB2 PRO 323 HB2 PRO 323 10.923 9.697 -4.361
130 HB3 PRO 323 HB3 PRO 323 10.150 10.850 -3.254
131 HG2 PRO 323 HG2 PRO 323 12.569 9.164 -2.844
132 HG3 PRO 323 HG3 PRO 323 12.257 10.832 -2.342
133 HD2 PRO 323 HD2 PRO 323 12.094 8.708 -0.650
134 HD3 PRO 323 HD3 PRO 323 11.139 10.194 -0.447
135 HA PRO 324 HA PRO 324 9.308 5.044 -4.614
136 HB2 PRO 324 HB2 PRO 324 7.680 5.327 -6.796
137 HB3 PRO 324 HB3 PRO 324 7.064 5.077 -5.155
138 HG2 PRO 324 HG2 PRO 324 7.271 7.586 -6.738
139 HG3 PRO 324 HG3 PRO 324 5.998 7.053 -5.630
140 HD2 PRO 324 HD2 PRO 324 7.917 8.878 -4.966
141 HD3 PRO 324 HD3 PRO 324 7.096 7.835 -3.784
142 H LEU 325 H LEU 325 9.485 4.339 -7.217
143 HA LEU 325 HA LEU 325 10.928 4.297 -9.080
144 HB2 LEU 325 HB2 LEU 325 9.658 6.654 -9.075
145 HB3 LEU 325 HB3 LEU 325 11.297 7.259 -8.835
146 HG LEU 325 HG LEU 325 10.846 5.202 -10.965
147 HD11 LEU 325 HD11 LEU 325 9.059 6.704 -11.492
148 HD12 LEU 325 HD12 LEU 325 10.399 7.148 -12.551
149 HD13 LEU 325 HD13 LEU 325 10.048 8.117 -11.119
150 HD21 LEU 325 HD21 LEU 325 13.117 5.996 -10.436
151 HD22 LEU 325 HD22 LEU 325 12.608 7.663 -10.707
152 HD23 LEU 325 HD23 LEU 325 12.646 6.522 -12.052
153 H LEU 326 H LEU 326 12.549 3.235 -7.649
154 HA LEU 326 HA LEU 326 15.023 4.875 -7.454
155 HB2 LEU 326 HB2 LEU 326 15.337 4.033 -5.103
156 HB3 LEU 326 HB3 LEU 326 13.946 5.101 -5.281
157 HG LEU 326 HG LEU 326 13.364 2.233 -5.720
158 HD11 LEU 326 HD11 LEU 326 15.034 2.170 -3.853
159 HD12 LEU 326 HD12 LEU 326 13.425 1.641 -3.362
160 HD13 LEU 326 HD13 LEU 326 13.991 3.255 -2.935
161 HD21 LEU 326 HD21 LEU 326 12.110 4.381 -3.976
162 HD22 LEU 326 HD22 LEU 326 11.386 2.824 -4.384
163 HD23 LEU 326 HD23 LEU 326 11.647 4.032 -5.641
164 H GLU 327 H GLU 327 14.889 3.116 -9.422
165 HA GLU 327 HA GLU 327 15.665 0.393 -8.606
166 HB2 GLU 327 HB2 GLU 327 14.546 1.689 -10.857
167 HB3 GLU 327 HB3 GLU 327 16.107 1.069 -11.395
168 HG2 GLU 327 HG2 GLU 327 15.175 -0.973 -11.568
169 HG3 GLU 327 HG3 GLU 327 14.972 -0.981 -9.817
Start of MODEL 14
1 HA LYS 308 HA LYS 308 -0.985 -17.243 2.279
2 HB2 LYS 308 HB2 LYS 308 -2.922 -17.198 3.787
3 HB3 LYS 308 HB3 LYS 308 -1.701 -18.295 4.428
4 HG2 LYS 308 HG2 LYS 308 -1.076 -16.812 6.137
5 HG3 LYS 308 HG3 LYS 308 -1.740 -15.411 5.298
6 HD2 LYS 308 HD2 LYS 308 -4.035 -16.403 5.611
7 HD3 LYS 308 HD3 LYS 308 -3.299 -17.648 6.620
8 HE2 LYS 308 HE2 LYS 308 -3.270 -16.245 8.400
9 HE3 LYS 308 HE3 LYS 308 -2.394 -15.019 7.463
10 HZ1 LYS 308 HZ1 LYS 308 -5.308 -15.534 7.184
11 HZ2 LYS 308 HZ2 LYS 308 -4.419 -14.257 6.500
12 HZ3 LYS 308 HZ3 LYS 308 -4.663 -14.320 8.179
13 H PHE 309 H PHE 309 -2.502 -15.561 1.586
14 HA PHE 309 HA PHE 309 -3.138 -13.363 1.069
15 HB2 PHE 309 HB2 PHE 309 -2.157 -13.211 3.903
16 HB3 PHE 309 HB3 PHE 309 -2.518 -11.712 3.052
17 HD1 PHE 309 HD1 PHE 309 -3.954 -15.038 3.958
18 HD2 PHE 309 HD2 PHE 309 -4.749 -10.990 2.755
19 HE1 PHE 309 HE2 PHE 309 -6.375 -15.397 4.349
20 HE2 PHE 309 HE1 PHE 309 -7.171 -11.352 3.147
21 HZ PHE 309 HZ PHE 309 -7.984 -13.554 3.944
22 HA PRO 310 HA PRO 310 0.446 -11.558 -0.720
23 HB2 PRO 310 HB2 PRO 310 -0.499 -9.064 -1.326
24 HB3 PRO 310 HB3 PRO 310 -0.994 -10.524 -2.206
25 HG2 PRO 310 HG2 PRO 310 -2.439 -8.995 -0.113
26 HG3 PRO 310 HG3 PRO 310 -3.068 -9.835 -1.537
27 HD2 PRO 310 HD2 PRO 310 -3.171 -10.817 1.032
28 HD3 PRO 310 HD3 PRO 310 -3.251 -11.815 -0.436
29 H ARG 311 H ARG 311 1.747 -9.331 -0.573
30 HA ARG 311 HA ARG 311 2.477 -8.950 2.227
31 HB2 ARG 311 HB2 ARG 311 3.779 -8.831 -0.142
32 HB3 ARG 311 HB3 ARG 311 3.434 -7.115 0.076
33 HG2 ARG 311 HG2 ARG 311 4.334 -7.522 2.509
34 HG3 ARG 311 HG3 ARG 311 5.094 -8.943 1.792
35 HD2 ARG 311 HD2 ARG 311 5.393 -6.295 0.396
36 HD3 ARG 311 HD3 ARG 311 6.399 -6.643 1.814
37 HE ARG 311 HE ARG 311 6.792 -8.921 0.481
38 HH11 ARG 311 HH11 ARG 311 8.561 -6.405 0.103
39 HH12 ARG 311 HH12 ARG 311 8.693 -6.372 -1.622
40 HH21 ARG 311 HH21 ARG 311 6.069 -8.598 -2.125
41 HH22 ARG 311 HH22 ARG 311 7.276 -7.619 -2.889
42 H ALA 312 H ALA 312 0.880 -7.865 3.397
43 HA ALA 312 HA ALA 312 -0.753 -5.719 2.391
44 HB1 ALA 312 HB1 ALA 312 -1.314 -7.177 4.303
45 HB2 ALA 312 HB2 ALA 312 -1.329 -5.482 4.793
46 HB3 ALA 312 HB3 ALA 312 0.041 -6.510 5.214
47 H MET 313 H MET 313 -0.679 -3.453 3.235
48 HA MET 313 HA MET 313 0.440 -1.388 3.414
49 HB2 MET 313 HB2 MET 313 1.728 -3.319 5.298
50 HB3 MET 313 HB3 MET 313 2.525 -1.764 5.065
51 HG2 MET 313 HG2 MET 313 0.159 -0.748 5.435
52 HG3 MET 313 HG3 MET 313 -0.237 -2.318 6.130
53 HE1 MET 313 HE1 MET 313 -0.778 -0.597 8.385
54 HE2 MET 313 HE2 MET 313 0.262 -1.366 9.582
55 HE3 MET 313 HE3 MET 313 -0.512 -2.346 8.340
56 HA PRO 314 HA PRO 314 3.694 -2.836 0.359
57 HB2 PRO 314 HB2 PRO 314 2.568 -1.722 -1.873
58 HB3 PRO 314 HB3 PRO 314 2.208 -3.369 -1.323
59 HG2 PRO 314 HG2 PRO 314 0.618 -0.878 -1.005
60 HG3 PRO 314 HG3 PRO 314 0.073 -2.534 -1.312
61 HD2 PRO 314 HD2 PRO 314 -0.029 -1.325 1.140
62 HD3 PRO 314 HD3 PRO 314 0.080 -3.082 0.903
63 H ILE 315 H ILE 315 4.710 -1.157 -1.404
64 HA ILE 315 HA ILE 315 5.259 1.320 0.141
65 HB ILE 315 HB ILE 315 6.533 0.247 -2.391
66 HG12 ILE 315 HG12 ILE 315 8.108 -0.113 0.004
67 HG13 ILE 315 HG13 ILE 315 6.539 -0.894 0.202
68 HG21 ILE 315 HG21 ILE 315 6.891 2.685 -1.668
69 HG22 ILE 315 HG22 ILE 315 8.343 1.712 -1.898
70 HG23 ILE 315 HG23 ILE 315 7.746 2.030 -0.271
71 HD11 ILE 315 HD11 ILE 315 8.294 -2.357 -0.862
72 HD12 ILE 315 HD12 ILE 315 8.285 -1.256 -2.241
73 HD13 ILE 315 HD13 ILE 315 6.828 -2.161 -1.824
74 H TRP 316 H TRP 316 4.079 0.338 -3.063
75 HA TRP 316 HA TRP 316 3.884 2.932 -4.225
76 HB2 TRP 316 HB2 TRP 316 2.469 1.826 -5.854
77 HB3 TRP 316 HB3 TRP 316 3.727 0.695 -5.369
78 HD1 TRP 316 HD1 TRP 316 3.017 -1.471 -4.104
79 HE1 TRP 316 HE1 TRP 316 0.734 -2.543 -3.567
80 HE3 TRP 316 HE3 TRP 316 -0.082 2.428 -5.234
81 HZ2 TRP 316 HZ2 TRP 316 -2.039 -1.840 -3.606
82 HZ3 TRP 316 HZ3 TRP 316 -2.536 2.200 -4.978
83 HH2 TRP 316 HH2 TRP 316 -3.517 0.074 -4.165
84 H ALA 317 H ALA 317 1.923 1.402 -1.797
85 HA ALA 317 HA ALA 317 -0.147 3.559 -2.076
86 HB1 ALA 317 HB1 ALA 317 -0.225 0.837 -0.724
87 HB2 ALA 317 HB2 ALA 317 -0.909 1.210 -2.306
88 HB3 ALA 317 HB3 ALA 317 -1.585 1.952 -0.856
89 H ARG 318 H ARG 318 1.667 4.865 -0.920
90 HA ARG 318 HA ARG 318 1.397 4.503 2.048
91 HB2 ARG 318 HB2 ARG 318 3.818 5.341 0.410
92 HB3 ARG 318 HB3 ARG 318 3.766 5.273 2.169
93 HG2 ARG 318 HG2 ARG 318 3.131 2.860 0.466
94 HG3 ARG 318 HG3 ARG 318 4.779 3.243 0.958
95 HD2 ARG 318 HD2 ARG 318 2.461 2.895 2.888
96 HD3 ARG 318 HD3 ARG 318 3.669 1.648 2.530
97 HE ARG 318 HE ARG 318 5.328 3.632 3.194
98 HH11 ARG 318 HH11 ARG 318 3.279 1.748 4.992
99 HH12 ARG 318 HH12 ARG 318 3.237 2.771 6.389
100 HH21 ARG 318 HH21 ARG 318 4.867 5.418 4.831
101 HH22 ARG 318 HH22 ARG 318 4.144 4.853 6.299
102 HA PRO 319 HA PRO 319 0.262 8.771 2.149
103 HB2 PRO 319 HB2 PRO 319 1.467 9.595 4.473
104 HB3 PRO 319 HB3 PRO 319 0.006 8.586 4.448
105 HG2 PRO 319 HG2 PRO 319 2.854 7.784 4.832
106 HG3 PRO 319 HG3 PRO 319 1.404 7.221 5.678
107 HD2 PRO 319 HD2 PRO 319 2.581 5.780 3.726
108 HD3 PRO 319 HD3 PRO 319 0.822 5.760 3.992
109 H ASP 320 H ASP 320 3.643 7.967 2.742
110 HA ASP 320 HA ASP 320 4.501 10.486 1.358
111 HB2 ASP 320 HB2 ASP 320 5.803 8.731 3.472
112 HB3 ASP 320 HB3 ASP 320 6.625 10.076 2.683
113 H TYR 321 H TYR 321 3.679 8.017 0.011
114 HA TYR 321 HA TYR 321 5.757 6.249 -0.713
115 HB2 TYR 321 HB2 TYR 321 3.489 5.783 -1.294
116 HB3 TYR 321 HB3 TYR 321 3.299 7.331 -2.110
117 HD1 TYR 321 HD1 TYR 321 5.947 4.669 -2.336
118 HD2 TYR 321 HD2 TYR 321 2.934 6.949 -4.378
119 HE1 TYR 321 HE1 TYR 321 6.616 3.630 -4.482
120 HE2 TYR 321 HE2 TYR 321 3.601 5.908 -6.523
121 HH TYR 321 HH TYR 321 5.434 3.175 -6.756
122 H ASN 322 H ASN 322 7.360 6.318 -2.259
123 HA ASN 322 HA ASN 322 8.646 8.730 -2.976
124 HB2 ASN 322 HB2 ASN 322 8.652 6.006 -4.325
125 HB3 ASN 322 HB3 ASN 322 9.881 7.249 -4.557
126 HD21 ASN 322 HD21 ASN 322 9.035 4.553 -2.618
127 HD22 ASN 322 HD22 ASN 322 10.142 4.821 -1.359
128 HA PRO 323 HA PRO 323 6.185 10.215 -6.333
129 HB2 PRO 323 HB2 PRO 323 8.047 11.788 -7.583
130 HB3 PRO 323 HB3 PRO 323 7.259 12.244 -6.059
131 HG2 PRO 323 HG2 PRO 323 9.965 11.097 -6.519
132 HG3 PRO 323 HG3 PRO 323 9.444 12.333 -5.364
133 HD2 PRO 323 HD2 PRO 323 9.901 9.731 -4.684
134 HD3 PRO 323 HD3 PRO 323 8.767 10.789 -3.818
135 HA PRO 324 HA PRO 324 7.592 7.157 -9.346
136 HB2 PRO 324 HB2 PRO 324 5.181 6.908 -10.615
137 HB3 PRO 324 HB3 PRO 324 5.563 6.086 -9.091
138 HG2 PRO 324 HG2 PRO 324 3.939 8.523 -9.571
139 HG3 PRO 324 HG3 PRO 324 3.718 7.234 -8.379
140 HD2 PRO 324 HD2 PRO 324 4.786 9.709 -7.823
141 HD3 PRO 324 HD3 PRO 324 5.072 8.246 -6.857
142 H LEU 325 H LEU 325 6.953 7.123 -11.923
143 HA LEU 325 HA LEU 325 8.081 9.554 -13.030
144 HB2 LEU 325 HB2 LEU 325 7.584 6.867 -13.786
145 HB3 LEU 325 HB3 LEU 325 6.747 7.872 -14.969
146 HG LEU 325 HG LEU 325 9.075 9.234 -14.804
147 HD11 LEU 325 HD11 LEU 325 9.968 7.548 -13.167
148 HD12 LEU 325 HD12 LEU 325 10.944 7.694 -14.627
149 HD13 LEU 325 HD13 LEU 325 9.850 6.325 -14.431
150 HD21 LEU 325 HD21 LEU 325 9.797 7.764 -16.796
151 HD22 LEU 325 HD22 LEU 325 8.224 8.549 -16.917
152 HD23 LEU 325 HD23 LEU 325 8.325 6.841 -16.494
153 H LEU 326 H LEU 326 6.988 10.895 -14.704
154 HA LEU 326 HA LEU 326 4.083 11.297 -14.072
155 HB2 LEU 326 HB2 LEU 326 6.448 13.018 -14.542
156 HB3 LEU 326 HB3 LEU 326 4.967 13.580 -15.313
157 HG LEU 326 HG LEU 326 5.136 14.551 -13.081
158 HD11 LEU 326 HD11 LEU 326 2.909 13.604 -14.042
159 HD12 LEU 326 HD12 LEU 326 2.965 14.053 -12.338
160 HD13 LEU 326 HD13 LEU 326 3.091 12.357 -12.807
161 HD21 LEU 326 HD21 LEU 326 5.298 13.204 -11.085
162 HD22 LEU 326 HD22 LEU 326 6.586 12.688 -12.172
163 HD23 LEU 326 HD23 LEU 326 5.126 11.714 -12.013
164 H GLU 327 H GLU 327 5.174 9.375 -16.119
165 HA GLU 327 HA GLU 327 3.721 10.481 -18.484
166 HB2 GLU 327 HB2 GLU 327 6.574 9.629 -18.213
167 HB3 GLU 327 HB3 GLU 327 5.747 9.207 -19.712
168 HG2 GLU 327 HG2 GLU 327 5.664 11.367 -20.422
169 HG3 GLU 327 HG3 GLU 327 5.285 11.980 -18.814
Start of MODEL 15
1 HA LYS 308 HA LYS 308 -9.301 -5.135 12.123
2 HB2 LYS 308 HB2 LYS 308 -11.747 -4.430 12.724
3 HB3 LYS 308 HB3 LYS 308 -11.494 -3.145 11.543
4 HG2 LYS 308 HG2 LYS 308 -10.530 -5.434 10.266
5 HG3 LYS 308 HG3 LYS 308 -11.982 -5.987 11.101
6 HD2 LYS 308 HD2 LYS 308 -13.355 -4.386 10.001
7 HD3 LYS 308 HD3 LYS 308 -11.961 -3.460 9.441
8 HE2 LYS 308 HE2 LYS 308 -11.378 -5.097 7.818
9 HE3 LYS 308 HE3 LYS 308 -12.402 -6.332 8.579
10 HZ1 LYS 308 HZ1 LYS 308 -13.373 -3.800 7.353
11 HZ2 LYS 308 HZ2 LYS 308 -14.347 -4.981 8.091
12 HZ3 LYS 308 HZ3 LYS 308 -13.509 -5.341 6.658
13 H PHE 309 H PHE 309 -8.053 -4.762 10.309
14 HA PHE 309 HA PHE 309 -7.709 -1.931 9.379
15 HB2 PHE 309 HB2 PHE 309 -5.618 -4.069 9.905
16 HB3 PHE 309 HB3 PHE 309 -5.277 -2.538 9.102
17 HD1 PHE 309 HD1 PHE 309 -5.806 -0.364 10.352
18 HD2 PHE 309 HD2 PHE 309 -5.706 -4.208 12.268
19 HE1 PHE 309 HE1 PHE 309 -5.581 0.742 12.560
20 HE2 PHE 309 HE2 PHE 309 -5.480 -3.102 14.475
21 HZ PHE 309 HZ PHE 309 -5.417 -0.627 14.622
22 HA PRO 310 HA PRO 310 -8.811 -4.471 5.757
23 HB2 PRO 310 HB2 PRO 310 -9.878 -2.394 4.326
24 HB3 PRO 310 HB3 PRO 310 -10.790 -3.290 5.556
25 HG2 PRO 310 HG2 PRO 310 -9.461 -0.636 5.747
26 HG3 PRO 310 HG3 PRO 310 -10.994 -1.184 6.442
27 HD2 PRO 310 HD2 PRO 310 -8.675 -0.967 7.869
28 HD3 PRO 310 HD3 PRO 310 -9.985 -2.096 8.279
29 H ARG 311 H ARG 311 -7.254 -4.890 4.245
30 HA ARG 311 HA ARG 311 -5.522 -4.581 2.679
31 HB2 ARG 311 HB2 ARG 311 -7.286 -2.550 2.289
32 HB3 ARG 311 HB3 ARG 311 -5.842 -1.625 2.698
33 HG2 ARG 311 HG2 ARG 311 -4.684 -3.279 0.983
34 HG3 ARG 311 HG3 ARG 311 -6.328 -3.450 0.368
35 HD2 ARG 311 HD2 ARG 311 -6.490 -1.142 -0.177
36 HD3 ARG 311 HD3 ARG 311 -5.093 -0.723 0.835
37 HE ARG 311 HE ARG 311 -3.643 -1.858 -0.798
38 HH11 ARG 311 HH11 ARG 311 -5.533 0.136 -2.283
39 HH12 ARG 311 HH12 ARG 311 -5.897 -0.796 -3.697
40 HH21 ARG 311 HH21 ARG 311 -4.713 -3.777 -2.355
41 HH22 ARG 311 HH22 ARG 311 -5.434 -3.021 -3.737
42 H ALA 312 H ALA 312 -3.311 -3.573 2.509
43 HA ALA 312 HA ALA 312 -2.315 -2.674 5.198
44 HB1 ALA 312 HB1 ALA 312 -0.975 -4.319 3.023
45 HB2 ALA 312 HB2 ALA 312 -1.669 -4.966 4.509
46 HB3 ALA 312 HB3 ALA 312 -0.260 -3.909 4.582
47 H MET 313 H MET 313 0.144 -1.755 4.638
48 HA MET 313 HA MET 313 -0.291 0.378 2.568
49 HB2 MET 313 HB2 MET 313 0.985 0.292 5.297
50 HB3 MET 313 HB3 MET 313 1.459 1.539 4.144
51 HG2 MET 313 HG2 MET 313 -0.307 2.664 5.066
52 HG3 MET 313 HG3 MET 313 -1.236 1.705 3.914
53 HE1 MET 313 HE1 MET 313 -1.105 1.850 8.299
54 HE2 MET 313 HE2 MET 313 0.093 2.398 7.131
55 HE3 MET 313 HE3 MET 313 0.234 0.791 7.839
56 HA PRO 314 HA PRO 314 3.311 -2.075 1.098
57 HB2 PRO 314 HB2 PRO 314 2.694 -1.861 -1.558
58 HB3 PRO 314 HB3 PRO 314 2.020 -3.119 -0.506
59 HG2 PRO 314 HG2 PRO 314 0.784 -0.604 -1.482
60 HG3 PRO 314 HG3 PRO 314 0.050 -2.190 -1.204
61 HD2 PRO 314 HD2 PRO 314 -0.190 -0.051 0.502
62 HD3 PRO 314 HD3 PRO 314 -0.367 -1.749 0.991
63 H ILE 315 H ILE 315 4.738 -1.293 -1.018
64 HA ILE 315 HA ILE 315 5.825 1.276 -0.299
65 HB ILE 315 HB ILE 315 6.188 -0.318 -2.856
66 HG12 ILE 315 HG12 ILE 315 6.601 -1.837 -1.034
67 HG13 ILE 315 HG13 ILE 315 8.176 -1.290 -1.602
68 HG21 ILE 315 HG21 ILE 315 8.418 0.737 -2.870
69 HG22 ILE 315 HG22 ILE 315 8.015 1.617 -1.397
70 HG23 ILE 315 HG23 ILE 315 7.146 1.958 -2.893
71 HD11 ILE 315 HD11 ILE 315 7.871 0.580 0.225
72 HD12 ILE 315 HD12 ILE 315 8.402 -1.032 0.706
73 HD13 ILE 315 HD13 ILE 315 6.716 -0.559 0.920
74 H TRP 316 H TRP 316 4.124 0.255 -3.264
75 HA TRP 316 HA TRP 316 3.891 2.867 -4.399
76 HB2 TRP 316 HB2 TRP 316 2.344 1.772 -5.937
77 HB3 TRP 316 HB3 TRP 316 3.684 0.686 -5.590
78 HD1 TRP 316 HD1 TRP 316 3.192 -1.471 -4.127
79 HE1 TRP 316 HE1 TRP 316 0.997 -2.680 -3.512
80 HE3 TRP 316 HE3 TRP 316 -0.193 2.144 -5.379
81 HZ2 TRP 316 HZ2 TRP 316 -1.820 -2.177 -3.542
82 HZ3 TRP 316 HZ3 TRP 316 -2.620 1.753 -5.076
83 HH2 TRP 316 HH2 TRP 316 -3.436 -0.398 -4.160
84 H ALA 317 H ALA 317 1.916 1.232 -1.997
85 HA ALA 317 HA ALA 317 -0.007 3.535 -2.064
86 HB1 ALA 317 HB1 ALA 317 -0.308 0.666 -2.044
87 HB2 ALA 317 HB2 ALA 317 -1.557 1.899 -2.198
88 HB3 ALA 317 HB3 ALA 317 -1.059 1.343 -0.600
89 H ARG 318 H ARG 318 1.675 4.650 -0.683
90 HA ARG 318 HA ARG 318 1.434 3.816 2.188
91 HB2 ARG 318 HB2 ARG 318 3.719 4.157 0.452
92 HB3 ARG 318 HB3 ARG 318 3.801 5.325 1.769
93 HG2 ARG 318 HG2 ARG 318 3.895 3.676 3.411
94 HG3 ARG 318 HG3 ARG 318 3.104 2.472 2.391
95 HD2 ARG 318 HD2 ARG 318 5.222 2.637 0.894
96 HD3 ARG 318 HD3 ARG 318 5.976 3.406 2.304
97 HE ARG 318 HE ARG 318 4.860 0.637 2.263
98 HH11 ARG 318 HH11 ARG 318 7.790 1.219 2.700
99 HH12 ARG 318 HH12 ARG 318 7.919 1.099 4.423
100 HH21 ARG 318 HH21 ARG 318 4.493 1.344 4.959
101 HH22 ARG 318 HH22 ARG 318 6.046 1.173 5.708
102 HA PRO 319 HA PRO 319 0.008 7.904 2.912
103 HB2 PRO 319 HB2 PRO 319 0.942 8.371 5.442
104 HB3 PRO 319 HB3 PRO 319 -0.410 7.279 5.084
105 HG2 PRO 319 HG2 PRO 319 2.420 6.641 5.711
106 HG3 PRO 319 HG3 PRO 319 0.941 5.768 6.134
107 HD2 PRO 319 HD2 PRO 319 2.654 5.044 4.111
108 HD3 PRO 319 HD3 PRO 319 0.942 4.580 4.200
109 H ASP 320 H ASP 320 3.216 7.909 4.524
110 HA ASP 320 HA ASP 320 3.962 10.257 2.809
111 HB2 ASP 320 HB2 ASP 320 3.423 10.127 5.573
112 HB3 ASP 320 HB3 ASP 320 5.177 10.252 5.446
113 H TYR 321 H TYR 321 4.728 7.495 2.272
114 HA TYR 321 HA TYR 321 7.441 7.086 3.277
115 HB2 TYR 321 HB2 TYR 321 7.196 5.006 2.316
116 HB3 TYR 321 HB3 TYR 321 5.500 5.452 2.418
117 HD1 TYR 321 HD1 TYR 321 4.547 6.777 0.313
118 HD2 TYR 321 HD2 TYR 321 8.075 4.321 0.270
119 HE1 TYR 321 HE1 TYR 321 4.349 6.530 -2.145
120 HE2 TYR 321 HE2 TYR 321 7.876 4.081 -2.187
121 HH TYR 321 HH TYR 321 6.030 4.215 -3.898
122 H ASN 322 H ASN 322 9.116 6.533 1.396
123 HA ASN 322 HA ASN 322 10.035 8.923 0.228
124 HB2 ASN 322 HB2 ASN 322 10.409 6.017 -0.571
125 HB3 ASN 322 HB3 ASN 322 11.412 7.335 -1.174
126 HD21 ASN 322 HD21 ASN 322 10.993 5.128 1.449
127 HD22 ASN 322 HD22 ASN 322 12.149 5.807 2.491
128 HA PRO 323 HA PRO 323 7.690 9.600 -3.427
129 HB2 PRO 323 HB2 PRO 323 9.596 10.191 -5.312
130 HB3 PRO 323 HB3 PRO 323 9.131 11.310 -4.014
131 HG2 PRO 323 HG2 PRO 323 11.474 9.469 -4.174
132 HG3 PRO 323 HG3 PRO 323 11.393 11.142 -3.595
133 HD2 PRO 323 HD2 PRO 323 11.454 9.036 -1.908
134 HD3 PRO 323 HD3 PRO 323 10.563 10.529 -1.531
135 HA PRO 324 HA PRO 324 7.644 5.654 -5.438
136 HB2 PRO 324 HB2 PRO 324 5.792 6.214 -7.374
137 HB3 PRO 324 HB3 PRO 324 5.370 5.917 -5.681
138 HG2 PRO 324 HG2 PRO 324 5.650 8.502 -7.134
139 HG3 PRO 324 HG3 PRO 324 4.446 8.012 -5.932
140 HD2 PRO 324 HD2 PRO 324 6.562 9.598 -5.331
141 HD3 PRO 324 HD3 PRO 324 5.831 8.481 -4.158
142 H LEU 325 H LEU 325 8.090 4.729 -7.601
143 HA LEU 325 HA LEU 325 9.475 4.566 -9.511
144 HB2 LEU 325 HB2 LEU 325 7.517 6.441 -9.880
145 HB3 LEU 325 HB3 LEU 325 8.960 7.397 -10.218
146 HG LEU 325 HG LEU 325 9.343 4.900 -11.499
147 HD11 LEU 325 HD11 LEU 325 7.360 4.858 -13.007
148 HD12 LEU 325 HD12 LEU 325 6.599 6.093 -12.003
149 HD13 LEU 325 HD13 LEU 325 6.936 4.496 -11.334
150 HD21 LEU 325 HD21 LEU 325 10.114 7.208 -12.173
151 HD22 LEU 325 HD22 LEU 325 8.469 7.536 -12.721
152 HD23 LEU 325 HD23 LEU 325 9.421 6.269 -13.496
153 H LEU 326 H LEU 326 10.693 5.604 -6.965
154 HA LEU 326 HA LEU 326 13.247 6.494 -8.064
155 HB2 LEU 326 HB2 LEU 326 11.611 8.507 -8.012
156 HB3 LEU 326 HB3 LEU 326 11.787 8.434 -6.258
157 HG LEU 326 HG LEU 326 14.407 8.263 -7.285
158 HD11 LEU 326 HD11 LEU 326 12.678 10.256 -8.759
159 HD12 LEU 326 HD12 LEU 326 13.819 9.093 -9.432
160 HD13 LEU 326 HD13 LEU 326 14.413 10.503 -8.555
161 HD21 LEU 326 HD21 LEU 326 14.710 10.343 -6.094
162 HD22 LEU 326 HD22 LEU 326 13.529 9.390 -5.197
163 HD23 LEU 326 HD23 LEU 326 12.992 10.724 -6.218
164 H GLU 327 H GLU 327 14.030 4.688 -6.819
165 HA GLU 327 HA GLU 327 14.886 3.611 -4.907
166 HB2 GLU 327 HB2 GLU 327 15.571 6.226 -4.868
167 HB3 GLU 327 HB3 GLU 327 14.664 6.150 -3.358
168 HG2 GLU 327 HG2 GLU 327 16.201 4.785 -2.343
169 HG3 GLU 327 HG3 GLU 327 16.600 3.945 -3.842
Start of MODEL 16
1 HA LYS 308 HA LYS 308 -10.483 7.700 7.304
2 HB2 LYS 308 HB2 LYS 308 -12.648 6.554 5.804
3 HB3 LYS 308 HB3 LYS 308 -12.292 5.490 7.165
4 HG2 LYS 308 HG2 LYS 308 -12.318 8.390 7.787
5 HG3 LYS 308 HG3 LYS 308 -13.879 7.688 7.361
6 HD2 LYS 308 HD2 LYS 308 -13.849 6.190 9.162
7 HD3 LYS 308 HD3 LYS 308 -12.097 6.285 9.337
8 HE2 LYS 308 HE2 LYS 308 -12.958 7.563 11.165
9 HE3 LYS 308 HE3 LYS 308 -12.492 8.779 9.961
10 HZ1 LYS 308 HZ1 LYS 308 -14.802 9.029 10.866
11 HZ2 LYS 308 HZ2 LYS 308 -15.205 7.573 10.091
12 HZ3 LYS 308 HZ3 LYS 308 -14.712 8.918 9.176
13 H PHE 309 H PHE 309 -10.591 4.506 5.634
14 HA PHE 309 HA PHE 309 -8.511 3.549 7.578
15 HB2 PHE 309 HB2 PHE 309 -10.734 2.037 6.160
16 HB3 PHE 309 HB3 PHE 309 -9.598 1.341 7.314
17 HD1 PHE 309 HD1 PHE 309 -9.410 2.927 9.574
18 HD2 PHE 309 HD2 PHE 309 -12.840 2.490 7.023
19 HE1 PHE 309 HE1 PHE 309 -10.887 3.628 11.438
20 HE2 PHE 309 HE2 PHE 309 -14.316 3.188 8.890
21 HZ PHE 309 HZ PHE 309 -13.340 3.758 11.097
22 HA PRO 310 HA PRO 310 -6.309 3.214 3.659
23 HB2 PRO 310 HB2 PRO 310 -3.863 2.697 4.771
24 HB3 PRO 310 HB3 PRO 310 -4.547 4.331 4.654
25 HG2 PRO 310 HG2 PRO 310 -4.421 2.495 6.988
26 HG3 PRO 310 HG3 PRO 310 -4.242 4.255 6.923
27 HD2 PRO 310 HD2 PRO 310 -6.522 2.976 7.739
28 HD3 PRO 310 HD3 PRO 310 -6.492 4.615 7.053
29 H ARG 311 H ARG 311 -5.498 1.391 2.478
30 HA ARG 311 HA ARG 311 -6.122 -1.245 3.695
31 HB2 ARG 311 HB2 ARG 311 -6.752 -0.161 1.323
32 HB3 ARG 311 HB3 ARG 311 -5.207 -0.879 0.869
33 HG2 ARG 311 HG2 ARG 311 -7.267 -2.489 2.369
34 HG3 ARG 311 HG3 ARG 311 -7.356 -2.324 0.616
35 HD2 ARG 311 HD2 ARG 311 -4.818 -3.027 0.686
36 HD3 ARG 311 HD3 ARG 311 -5.248 -3.688 2.276
37 HE ARG 311 HE ARG 311 -6.450 -4.532 -0.317
38 HH11 ARG 311 HH11 ARG 311 -8.481 -4.594 1.866
39 HH12 ARG 311 HH12 ARG 311 -8.284 -6.189 2.515
40 HH21 ARG 311 HH21 ARG 311 -5.164 -6.674 1.055
41 HH22 ARG 311 HH22 ARG 311 -6.395 -7.370 2.056
42 H ALA 312 H ALA 312 -4.323 -1.794 4.970
43 HA ALA 312 HA ALA 312 -2.136 -2.531 5.456
44 HB1 ALA 312 HB1 ALA 312 -1.200 -3.869 3.743
45 HB2 ALA 312 HB2 ALA 312 -1.822 -2.823 2.467
46 HB3 ALA 312 HB3 ALA 312 -2.923 -3.866 3.367
47 H MET 313 H MET 313 0.241 -2.216 3.857
48 HA MET 313 HA MET 313 0.488 0.670 3.263
49 HB2 MET 313 HB2 MET 313 2.365 0.830 4.975
50 HB3 MET 313 HB3 MET 313 0.750 0.654 5.659
51 HG2 MET 313 HG2 MET 313 2.083 -1.915 5.115
52 HG3 MET 313 HG3 MET 313 2.921 -0.923 6.307
53 HE1 MET 313 HE1 MET 313 0.406 0.024 8.839
54 HE2 MET 313 HE2 MET 313 1.857 0.390 7.908
55 HE3 MET 313 HE3 MET 313 1.879 -0.927 9.078
56 HA PRO 314 HA PRO 314 3.243 -2.239 0.866
57 HB2 PRO 314 HB2 PRO 314 2.375 -1.475 -1.618
58 HB3 PRO 314 HB3 PRO 314 1.622 -2.780 -0.684
59 HG2 PRO 314 HG2 PRO 314 0.741 0.036 -1.052
60 HG3 PRO 314 HG3 PRO 314 -0.223 -1.445 -0.965
61 HD2 PRO 314 HD2 PRO 314 0.046 0.305 1.110
62 HD3 PRO 314 HD3 PRO 314 -0.283 -1.428 1.318
63 H ILE 315 H ILE 315 4.532 -1.345 -1.300
64 HA ILE 315 HA ILE 315 5.884 1.112 -0.353
65 HB ILE 315 HB ILE 315 6.542 -0.596 -2.764
66 HG12 ILE 315 HG12 ILE 315 6.294 -2.132 -0.882
67 HG13 ILE 315 HG13 ILE 315 8.010 -1.906 -1.209
68 HG21 ILE 315 HG21 ILE 315 8.021 1.176 -2.819
69 HG22 ILE 315 HG22 ILE 315 8.902 0.109 -1.725
70 HG23 ILE 315 HG23 ILE 315 7.940 1.436 -1.076
71 HD11 ILE 315 HD11 ILE 315 7.621 -1.768 1.199
72 HD12 ILE 315 HD12 ILE 315 6.397 -0.522 0.957
73 HD13 ILE 315 HD13 ILE 315 8.089 -0.180 0.593
74 H TRP 316 H TRP 316 3.449 0.321 -2.614
75 HA TRP 316 HA TRP 316 4.007 2.753 -4.250
76 HB2 TRP 316 HB2 TRP 316 2.493 1.691 -5.882
77 HB3 TRP 316 HB3 TRP 316 3.769 0.572 -5.409
78 HD1 TRP 316 HD1 TRP 316 3.101 -1.549 -3.994
79 HE1 TRP 316 HE1 TRP 316 0.828 -2.642 -3.450
80 HE3 TRP 316 HE3 TRP 316 -0.051 2.212 -5.410
81 HZ2 TRP 316 HZ2 TRP 316 -1.959 -2.004 -3.599
82 HZ3 TRP 316 HZ3 TRP 316 -2.504 1.944 -5.199
83 HH2 TRP 316 HH2 TRP 316 -3.461 -0.155 -4.295
84 H ALA 317 H ALA 317 1.786 1.392 -1.932
85 HA ALA 317 HA ALA 317 0.030 3.816 -2.207
86 HB1 ALA 317 HB1 ALA 317 -1.592 2.283 -2.592
87 HB2 ALA 317 HB2 ALA 317 -1.395 1.761 -0.920
88 HB3 ALA 317 HB3 ALA 317 -0.502 0.952 -2.206
89 H ARG 318 H ARG 318 1.711 4.713 -0.620
90 HA ARG 318 HA ARG 318 1.071 3.814 2.169
91 HB2 ARG 318 HB2 ARG 318 3.431 4.359 2.702
92 HB3 ARG 318 HB3 ARG 318 3.320 3.133 1.442
93 HG2 ARG 318 HG2 ARG 318 3.322 5.783 0.263
94 HG3 ARG 318 HG3 ARG 318 4.719 5.576 1.313
95 HD2 ARG 318 HD2 ARG 318 5.128 3.350 0.125
96 HD3 ARG 318 HD3 ARG 318 3.925 3.881 -1.066
97 HE ARG 318 HE ARG 318 6.612 4.949 -0.808
98 HH11 ARG 318 HH11 ARG 318 5.064 4.946 -3.362
99 HH12 ARG 318 HH12 ARG 318 4.694 6.624 -3.577
100 HH21 ARG 318 HH21 ARG 318 5.393 7.468 -0.280
101 HH22 ARG 318 HH22 ARG 318 4.875 8.056 -1.823
102 HA PRO 319 HA PRO 319 -0.160 8.124 2.352
103 HB2 PRO 319 HB2 PRO 319 -1.339 7.965 4.814
104 HB3 PRO 319 HB3 PRO 319 -2.136 7.419 3.326
105 HG2 PRO 319 HG2 PRO 319 -0.803 5.833 5.450
106 HG3 PRO 319 HG3 PRO 319 -2.225 5.444 4.472
107 HD2 PRO 319 HD2 PRO 319 0.297 4.431 4.034
108 HD3 PRO 319 HD3 PRO 319 -0.977 4.535 2.801
109 H ASP 320 H ASP 320 1.381 6.359 5.015
110 HA ASP 320 HA ASP 320 2.764 8.859 5.901
111 HB2 ASP 320 HB2 ASP 320 1.472 6.624 7.189
112 HB3 ASP 320 HB3 ASP 320 3.160 6.681 7.692
113 H TYR 321 H TYR 321 3.719 7.623 3.542
114 HA TYR 321 HA TYR 321 5.573 5.649 3.434
115 HB2 TYR 321 HB2 TYR 321 5.064 7.267 1.644
116 HB3 TYR 321 HB3 TYR 321 5.973 8.508 2.501
117 HD1 TYR 321 HD1 TYR 321 6.798 4.882 2.078
118 HD2 TYR 321 HD2 TYR 321 7.827 8.937 1.099
119 HE1 TYR 321 HE1 TYR 321 8.895 4.093 1.018
120 HE2 TYR 321 HE2 TYR 321 9.924 8.147 0.039
121 HH TYR 321 HH TYR 321 10.565 5.574 -1.079
122 H ASN 322 H ASN 322 7.301 5.038 4.605
123 HA ASN 322 HA ASN 322 8.395 6.561 6.785
124 HB2 ASN 322 HB2 ASN 322 9.865 4.654 7.000
125 HB3 ASN 322 HB3 ASN 322 8.308 4.039 6.451
126 HD21 ASN 322 HD21 ASN 322 8.199 3.098 4.309
127 HD22 ASN 322 HD22 ASN 322 9.577 2.882 3.341
128 HA PRO 323 HA PRO 323 11.481 8.961 4.757
129 HB2 PRO 323 HB2 PRO 323 13.479 8.984 6.630
130 HB3 PRO 323 HB3 PRO 323 11.970 9.899 6.816
131 HG2 PRO 323 HG2 PRO 323 12.771 7.302 8.025
132 HG3 PRO 323 HG3 PRO 323 11.859 8.644 8.733
133 HD2 PRO 323 HD2 PRO 323 10.704 6.349 7.813
134 HD3 PRO 323 HD3 PRO 323 9.871 7.919 7.869
135 HA PRO 324 HA PRO 324 13.918 5.600 3.008
136 HB2 PRO 324 HB2 PRO 324 14.711 6.970 0.772
137 HB3 PRO 324 HB3 PRO 324 13.114 6.214 0.930
138 HG2 PRO 324 HG2 PRO 324 13.898 9.066 1.230
139 HG3 PRO 324 HG3 PRO 324 12.432 8.365 0.527
140 HD2 PRO 324 HD2 PRO 324 12.550 9.458 3.033
141 HD3 PRO 324 HD3 PRO 324 11.382 8.210 2.546
142 H LEU 325 H LEU 325 16.298 5.891 1.779
143 HA LEU 325 HA LEU 325 18.588 6.319 2.180
144 HB2 LEU 325 HB2 LEU 325 17.291 8.653 1.775
145 HB3 LEU 325 HB3 LEU 325 17.865 8.943 3.416
146 HG LEU 325 HG LEU 325 20.143 7.992 2.388
147 HD11 LEU 325 HD11 LEU 325 19.095 7.572 0.165
148 HD12 LEU 325 HD12 LEU 325 20.431 8.720 0.068
149 HD13 LEU 325 HD13 LEU 325 18.765 9.299 0.020
150 HD21 LEU 325 HD21 LEU 325 20.807 10.337 1.979
151 HD22 LEU 325 HD22 LEU 325 19.822 10.208 3.435
152 HD23 LEU 325 HD23 LEU 325 19.110 10.812 1.939
153 H LEU 326 H LEU 326 19.317 8.211 4.543
154 HA LEU 326 HA LEU 326 19.413 6.091 6.576
155 HB2 LEU 326 HB2 LEU 326 21.101 8.065 5.800
156 HB3 LEU 326 HB3 LEU 326 20.300 8.879 7.146
157 HG LEU 326 HG LEU 326 21.483 6.099 7.373
158 HD11 LEU 326 HD11 LEU 326 23.232 7.785 6.800
159 HD12 LEU 326 HD12 LEU 326 23.423 7.139 8.431
160 HD13 LEU 326 HD13 LEU 326 22.727 8.742 8.194
161 HD21 LEU 326 HD21 LEU 326 20.523 8.181 9.361
162 HD22 LEU 326 HD22 LEU 326 21.430 6.740 9.823
163 HD23 LEU 326 HD23 LEU 326 19.839 6.579 9.080
164 H GLU 327 H GLU 327 17.366 5.817 7.480
165 HA GLU 327 HA GLU 327 15.653 8.084 8.196
166 HB2 GLU 327 HB2 GLU 327 14.184 6.276 9.021
167 HB3 GLU 327 HB3 GLU 327 14.803 5.892 7.417
168 HG2 GLU 327 HG2 GLU 327 16.598 4.938 9.508
169 HG3 GLU 327 HG3 GLU 327 14.977 4.271 9.694
Start of MODEL 17
1 HA LYS 308 HA LYS 308 -0.158 -9.131 15.981
2 HB2 LYS 308 HB2 LYS 308 1.210 -7.325 16.936
3 HB3 LYS 308 HB3 LYS 308 1.580 -8.847 17.743
4 HG2 LYS 308 HG2 LYS 308 3.449 -9.019 15.869
5 HG3 LYS 308 HG3 LYS 308 3.251 -7.268 15.816
6 HD2 LYS 308 HD2 LYS 308 3.453 -8.446 18.530
7 HD3 LYS 308 HD3 LYS 308 4.918 -8.534 17.552
8 HE2 LYS 308 HE2 LYS 308 4.732 -6.074 17.112
9 HE3 LYS 308 HE3 LYS 308 3.341 -6.018 18.213
10 HZ1 LYS 308 HZ1 LYS 308 6.079 -6.973 18.888
11 HZ2 LYS 308 HZ2 LYS 308 4.742 -7.031 19.938
12 HZ3 LYS 308 HZ3 LYS 308 5.363 -5.534 19.428
13 H PHE 309 H PHE 309 0.846 -10.096 13.363
14 HA PHE 309 HA PHE 309 0.731 -7.518 11.917
15 HB2 PHE 309 HB2 PHE 309 2.783 -8.587 10.538
16 HB3 PHE 309 HB3 PHE 309 3.042 -7.539 11.928
17 HD1 PHE 309 HD1 PHE 309 2.489 -11.172 11.115
18 HD2 PHE 309 HD2 PHE 309 4.410 -8.292 13.661
19 HE1 PHE 309 HE1 PHE 309 3.689 -13.001 12.279
20 HE2 PHE 309 HE2 PHE 309 5.610 -10.124 14.824
21 HZ PHE 309 HZ PHE 309 5.250 -12.478 14.135
22 HA PRO 310 HA PRO 310 -1.465 -11.140 9.981
23 HB2 PRO 310 HB2 PRO 310 -3.934 -9.970 9.866
24 HB3 PRO 310 HB3 PRO 310 -3.361 -10.892 11.269
25 HG2 PRO 310 HG2 PRO 310 -3.498 -7.948 10.868
26 HG3 PRO 310 HG3 PRO 310 -3.810 -8.906 12.324
27 HD2 PRO 310 HD2 PRO 310 -1.496 -7.519 11.880
28 HD3 PRO 310 HD3 PRO 310 -1.605 -8.958 12.916
29 H ARG 311 H ARG 311 -1.159 -7.738 9.280
30 HA ARG 311 HA ARG 311 -1.439 -8.341 6.360
31 HB2 ARG 311 HB2 ARG 311 -3.038 -6.606 8.100
32 HB3 ARG 311 HB3 ARG 311 -2.390 -5.746 6.703
33 HG2 ARG 311 HG2 ARG 311 -3.753 -6.837 5.264
34 HG3 ARG 311 HG3 ARG 311 -3.431 -8.400 6.017
35 HD2 ARG 311 HD2 ARG 311 -5.175 -8.164 7.566
36 HD3 ARG 311 HD3 ARG 311 -5.182 -6.393 7.434
37 HE ARG 311 HE ARG 311 -6.442 -6.576 5.414
38 HH11 ARG 311 HH11 ARG 311 -7.757 -8.897 6.798
39 HH12 ARG 311 HH12 ARG 311 -7.634 -10.147 5.606
40 HH21 ARG 311 HH21 ARG 311 -5.209 -8.494 3.743
41 HH22 ARG 311 HH22 ARG 311 -6.188 -9.917 3.867
42 H ALA 312 H ALA 312 -0.228 -6.841 4.993
43 HA ALA 312 HA ALA 312 1.868 -5.255 6.447
44 HB1 ALA 312 HB1 ALA 312 2.101 -7.095 4.041
45 HB2 ALA 312 HB2 ALA 312 2.774 -7.378 5.647
46 HB3 ALA 312 HB3 ALA 312 3.410 -6.076 4.641
47 H MET 313 H MET 313 2.193 -3.200 5.615
48 HA MET 313 HA MET 313 0.398 -2.261 3.476
49 HB2 MET 313 HB2 MET 313 1.431 -1.213 5.797
50 HB3 MET 313 HB3 MET 313 2.471 -0.467 4.583
51 HG2 MET 313 HG2 MET 313 0.361 0.179 3.328
52 HG3 MET 313 HG3 MET 313 -0.551 -0.347 4.743
53 HE1 MET 313 HE1 MET 313 -0.985 3.325 5.321
54 HE2 MET 313 HE2 MET 313 -1.562 1.779 5.938
55 HE3 MET 313 HE3 MET 313 -1.431 2.032 4.198
56 HA PRO 314 HA PRO 314 3.562 -2.738 0.387
57 HB2 PRO 314 HB2 PRO 314 2.270 -1.449 -1.646
58 HB3 PRO 314 HB3 PRO 314 1.848 -3.087 -1.117
59 HG2 PRO 314 HG2 PRO 314 0.489 -0.512 -0.566
60 HG3 PRO 314 HG3 PRO 314 -0.197 -2.126 -0.794
61 HD2 PRO 314 HD2 PRO 314 0.149 -0.887 1.649
62 HD3 PRO 314 HD3 PRO 314 -0.021 -2.639 1.411
63 H ILE 315 H ILE 315 4.470 -1.056 -1.428
64 HA ILE 315 HA ILE 315 5.262 1.382 0.093
65 HB ILE 315 HB ILE 315 6.437 0.143 -2.413
66 HG12 ILE 315 HG12 ILE 315 8.066 -0.177 -0.061
67 HG13 ILE 315 HG13 ILE 315 6.463 -0.839 0.260
68 HG21 ILE 315 HG21 ILE 315 7.040 2.500 -2.073
69 HG22 ILE 315 HG22 ILE 315 8.435 1.464 -1.768
70 HG23 ILE 315 HG23 ILE 315 7.531 2.149 -0.416
71 HD11 ILE 315 HD11 ILE 315 8.313 -1.547 -2.028
72 HD12 ILE 315 HD12 ILE 315 6.629 -2.065 -1.944
73 HD13 ILE 315 HD13 ILE 315 7.779 -2.603 -0.719
74 H TRP 316 H TRP 316 4.087 0.382 -3.118
75 HA TRP 316 HA TRP 316 3.934 2.968 -4.300
76 HB2 TRP 316 HB2 TRP 316 2.487 1.868 -5.922
77 HB3 TRP 316 HB3 TRP 316 3.757 0.745 -5.449
78 HD1 TRP 316 HD1 TRP 316 3.077 -1.370 -4.020
79 HE1 TRP 316 HE1 TRP 316 0.803 -2.480 -3.528
80 HE3 TRP 316 HE3 TRP 316 -0.074 2.362 -5.517
81 HZ2 TRP 316 HZ2 TRP 316 -1.983 -1.869 -3.743
82 HZ3 TRP 316 HZ3 TRP 316 -2.530 2.069 -5.366
83 HH2 TRP 316 HH2 TRP 316 -3.487 -0.039 -4.481
84 H ALA 317 H ALA 317 1.819 1.369 -2.007
85 HA ALA 317 HA ALA 317 -0.104 3.668 -2.184
86 HB1 ALA 317 HB1 ALA 317 -0.767 1.172 -2.546
87 HB2 ALA 317 HB2 ALA 317 -1.764 2.136 -1.459
88 HB3 ALA 317 HB3 ALA 317 -0.568 1.020 -0.801
89 H ARG 318 H ARG 318 1.749 4.748 -0.891
90 HA ARG 318 HA ARG 318 1.405 4.182 2.035
91 HB2 ARG 318 HB2 ARG 318 3.744 4.271 0.267
92 HB3 ARG 318 HB3 ARG 318 3.918 5.326 1.668
93 HG2 ARG 318 HG2 ARG 318 3.533 3.507 3.189
94 HG3 ARG 318 HG3 ARG 318 3.056 2.433 1.873
95 HD2 ARG 318 HD2 ARG 318 5.267 1.767 2.082
96 HD3 ARG 318 HD3 ARG 318 5.510 3.138 0.980
97 HE ARG 318 HE ARG 318 6.131 4.515 2.903
98 HH11 ARG 318 HH11 ARG 318 4.599 3.274 5.085
99 HH12 ARG 318 HH12 ARG 318 5.794 2.359 5.942
100 HH21 ARG 318 HH21 ARG 318 8.096 2.437 3.335
101 HH22 ARG 318 HH22 ARG 318 7.783 1.880 4.944
102 HA PRO 319 HA PRO 319 0.678 8.523 2.444
103 HB2 PRO 319 HB2 PRO 319 1.866 9.070 4.845
104 HB3 PRO 319 HB3 PRO 319 0.346 8.164 4.709
105 HG2 PRO 319 HG2 PRO 319 3.104 7.173 5.181
106 HG3 PRO 319 HG3 PRO 319 1.566 6.586 5.828
107 HD2 PRO 319 HD2 PRO 319 2.942 5.391 3.776
108 HD3 PRO 319 HD3 PRO 319 1.192 5.227 4.040
109 H ASP 320 H ASP 320 3.989 7.433 3.051
110 HA ASP 320 HA ASP 320 5.047 10.006 1.929
111 HB2 ASP 320 HB2 ASP 320 6.173 8.015 3.929
112 HB3 ASP 320 HB3 ASP 320 7.072 9.398 3.308
113 H TYR 321 H TYR 321 4.210 7.790 0.249
114 HA TYR 321 HA TYR 321 6.174 5.924 -0.505
115 HB2 TYR 321 HB2 TYR 321 3.925 5.868 -1.370
116 HB3 TYR 321 HB3 TYR 321 4.089 7.477 -2.065
117 HD1 TYR 321 HD1 TYR 321 6.243 4.393 -2.160
118 HD2 TYR 321 HD2 TYR 321 4.099 7.370 -4.396
119 HE1 TYR 321 HE1 TYR 321 7.067 3.399 -4.272
120 HE2 TYR 321 HE2 TYR 321 4.926 6.373 -6.508
121 HH TYR 321 HH TYR 321 7.447 4.460 -6.776
122 H ASN 322 H ASN 322 7.900 5.978 -1.964
123 HA ASN 322 HA ASN 322 9.470 8.373 -2.177
124 HB2 ASN 322 HB2 ASN 322 9.509 5.691 -3.605
125 HB3 ASN 322 HB3 ASN 322 10.801 6.881 -3.740
126 HD21 ASN 322 HD21 ASN 322 9.834 4.175 -1.965
127 HD22 ASN 322 HD22 ASN 322 10.781 4.429 -0.578
128 HA PRO 323 HA PRO 323 8.011 10.256 -5.880
129 HB2 PRO 323 HB2 PRO 323 10.290 10.762 -7.322
130 HB3 PRO 323 HB3 PRO 323 9.833 11.678 -5.870
131 HG2 PRO 323 HG2 PRO 323 11.778 9.435 -6.158
132 HG3 PRO 323 HG3 PRO 323 11.910 10.926 -5.212
133 HD2 PRO 323 HD2 PRO 323 11.280 8.549 -4.092
134 HD3 PRO 323 HD3 PRO 323 10.658 10.094 -3.469
135 HA PRO 324 HA PRO 324 7.611 6.836 -8.690
136 HB2 PRO 324 HB2 PRO 324 6.041 8.077 -10.558
137 HB3 PRO 324 HB3 PRO 324 5.423 7.505 -8.999
138 HG2 PRO 324 HG2 PRO 324 6.178 10.257 -9.843
139 HG3 PRO 324 HG3 PRO 324 4.833 9.718 -8.824
140 HD2 PRO 324 HD2 PRO 324 7.126 10.811 -7.834
141 HD3 PRO 324 HD3 PRO 324 6.119 9.655 -6.933
142 H LEU 325 H LEU 325 7.648 6.779 -11.344
143 HA LEU 325 HA LEU 325 9.003 6.959 -13.262
144 HB2 LEU 325 HB2 LEU 325 8.781 9.629 -12.044
145 HB3 LEU 325 HB3 LEU 325 10.220 9.443 -13.046
146 HG LEU 325 HG LEU 325 8.472 8.305 -14.711
147 HD11 LEU 325 HD11 LEU 325 6.808 10.238 -13.066
148 HD12 LEU 325 HD12 LEU 325 6.558 8.498 -13.194
149 HD13 LEU 325 HD13 LEU 325 6.308 9.531 -14.601
150 HD21 LEU 325 HD21 LEU 325 8.220 10.519 -15.793
151 HD22 LEU 325 HD22 LEU 325 9.866 10.278 -15.207
152 HD23 LEU 325 HD23 LEU 325 8.749 11.301 -14.304
153 H LEU 326 H LEU 326 10.506 5.345 -12.665
154 HA LEU 326 HA LEU 326 12.513 4.399 -11.883
155 HB2 LEU 326 HB2 LEU 326 14.339 5.354 -13.037
156 HB3 LEU 326 HB3 LEU 326 12.937 5.840 -13.977
157 HG LEU 326 HG LEU 326 13.504 7.791 -11.897
158 HD11 LEU 326 HD11 LEU 326 15.715 7.158 -13.871
159 HD12 LEU 326 HD12 LEU 326 15.816 7.027 -12.115
160 HD13 LEU 326 HD13 LEU 326 15.640 8.609 -12.873
161 HD21 LEU 326 HD21 LEU 326 13.083 9.290 -13.629
162 HD22 LEU 326 HD22 LEU 326 12.240 7.860 -14.224
163 HD23 LEU 326 HD23 LEU 326 13.842 8.258 -14.841
164 H GLU 327 H GLU 327 11.149 5.720 -9.745
165 HA GLU 327 HA GLU 327 11.512 6.524 -7.563
166 HB2 GLU 327 HB2 GLU 327 14.196 5.298 -8.285
167 HB3 GLU 327 HB3 GLU 327 13.736 5.754 -6.645
168 HG2 GLU 327 HG2 GLU 327 11.637 4.178 -7.868
169 HG3 GLU 327 HG3 GLU 327 13.172 3.316 -7.949
Start of MODEL 18
1 HA LYS 308 HA LYS 308 -8.832 1.291 -1.203
2 HB2 LYS 308 HB2 LYS 308 -10.882 0.225 -2.071
3 HB3 LYS 308 HB3 LYS 308 -10.844 1.932 -2.507
4 HG2 LYS 308 HG2 LYS 308 -10.316 1.472 -4.760
5 HG3 LYS 308 HG3 LYS 308 -9.764 -0.163 -4.391
6 HD2 LYS 308 HD2 LYS 308 -12.135 -0.722 -3.725
7 HD3 LYS 308 HD3 LYS 308 -12.616 0.857 -4.347
8 HE2 LYS 308 HE2 LYS 308 -11.960 0.287 -6.583
9 HE3 LYS 308 HE3 LYS 308 -11.107 -1.168 -6.030
10 HZ1 LYS 308 HZ1 LYS 308 -14.020 -0.677 -5.672
11 HZ2 LYS 308 HZ2 LYS 308 -13.173 -2.088 -5.249
12 HZ3 LYS 308 HZ3 LYS 308 -13.354 -1.661 -6.882
13 H PHE 309 H PHE 309 -9.002 -1.135 -0.920
14 HA PHE 309 HA PHE 309 -8.043 -3.280 -1.076
15 HB2 PHE 309 HB2 PHE 309 -9.297 -2.795 -3.359
16 HB3 PHE 309 HB3 PHE 309 -7.661 -2.792 -4.015
17 HD1 PHE 309 HD1 PHE 309 -10.221 -4.823 -2.284
18 HD2 PHE 309 HD2 PHE 309 -6.326 -4.815 -4.095
19 HE1 PHE 309 HE2 PHE 309 -10.203 -7.303 -2.256
20 HE2 PHE 309 HE1 PHE 309 -6.307 -7.295 -4.066
21 HZ PHE 309 HZ PHE 309 -8.246 -8.538 -3.146
22 HA PRO 310 HA PRO 310 -3.796 -1.468 -1.306
23 HB2 PRO 310 HB2 PRO 310 -3.058 -2.178 1.232
24 HB3 PRO 310 HB3 PRO 310 -3.916 -0.670 0.863
25 HG2 PRO 310 HG2 PRO 310 -4.953 -3.209 1.997
26 HG3 PRO 310 HG3 PRO 310 -5.421 -1.538 2.347
27 HD2 PRO 310 HD2 PRO 310 -6.849 -3.258 0.740
28 HD3 PRO 310 HD3 PRO 310 -6.947 -1.486 0.662
29 H ARG 311 H ARG 311 -1.729 -2.889 -0.172
30 HA ARG 311 HA ARG 311 -2.159 -5.749 -0.955
31 HB2 ARG 311 HB2 ARG 311 -0.684 -3.688 -2.314
32 HB3 ARG 311 HB3 ARG 311 0.458 -4.895 -1.723
33 HG2 ARG 311 HG2 ARG 311 -0.441 -6.589 -3.018
34 HG3 ARG 311 HG3 ARG 311 -2.049 -5.864 -3.039
35 HD2 ARG 311 HD2 ARG 311 -0.395 -3.988 -4.340
36 HD3 ARG 311 HD3 ARG 311 0.092 -5.570 -4.978
37 HE ARG 311 HE ARG 311 -2.192 -5.941 -5.710
38 HH11 ARG 311 HH11 ARG 311 -3.700 -4.548 -3.575
39 HH12 ARG 311 HH12 ARG 311 -4.266 -3.117 -4.371
40 HH21 ARG 311 HH21 ARG 311 -2.019 -3.389 -7.014
41 HH22 ARG 311 HH22 ARG 311 -3.310 -2.458 -6.330
42 H ALA 312 H ALA 312 -2.236 -5.266 1.653
43 HA ALA 312 HA ALA 312 -1.224 -5.721 3.732
44 HB1 ALA 312 HB1 ALA 312 -0.686 -7.741 2.219
45 HB2 ALA 312 HB2 ALA 312 0.317 -7.533 3.654
46 HB3 ALA 312 HB3 ALA 312 0.930 -7.049 2.074
47 H MET 313 H MET 313 -0.745 -3.208 3.365
48 HA MET 313 HA MET 313 0.736 -1.394 3.661
49 HB2 MET 313 HB2 MET 313 1.848 -3.748 5.153
50 HB3 MET 313 HB3 MET 313 2.791 -2.260 5.102
51 HG2 MET 313 HG2 MET 313 -0.082 -1.896 5.704
52 HG3 MET 313 HG3 MET 313 0.838 -2.752 6.941
53 HE1 MET 313 HE1 MET 313 2.038 -1.715 8.687
54 HE2 MET 313 HE2 MET 313 0.459 -0.933 8.719
55 HE3 MET 313 HE3 MET 313 1.914 0.024 8.984
56 HA PRO 314 HA PRO 314 3.562 -2.919 0.265
57 HB2 PRO 314 HB2 PRO 314 2.427 -1.578 -1.824
58 HB3 PRO 314 HB3 PRO 314 1.919 -3.202 -1.326
59 HG2 PRO 314 HG2 PRO 314 0.611 -0.590 -0.872
60 HG3 PRO 314 HG3 PRO 314 -0.104 -2.191 -1.086
61 HD2 PRO 314 HD2 PRO 314 0.216 -0.869 1.341
62 HD3 PRO 314 HD3 PRO 314 -0.093 -2.605 1.139
63 H ILE 315 H ILE 315 4.499 -1.200 -1.565
64 HA ILE 315 HA ILE 315 5.472 1.111 0.040
65 HB ILE 315 HB ILE 315 6.416 0.175 -2.679
66 HG12 ILE 315 HG12 ILE 315 6.437 -1.795 -1.215
67 HG13 ILE 315 HG13 ILE 315 8.085 -1.231 -1.475
68 HG21 ILE 315 HG21 ILE 315 7.264 2.338 -1.876
69 HG22 ILE 315 HG22 ILE 315 8.557 1.140 -1.904
70 HG23 ILE 315 HG23 ILE 315 7.799 1.583 -0.375
71 HD11 ILE 315 HD11 ILE 315 6.375 -0.982 0.989
72 HD12 ILE 315 HD12 ILE 315 7.699 0.149 0.709
73 HD13 ILE 315 HD13 ILE 315 8.028 -1.577 0.843
74 H TRP 316 H TRP 316 4.078 0.385 -3.146
75 HA TRP 316 HA TRP 316 3.907 3.055 -4.129
76 HB2 TRP 316 HB2 TRP 316 2.331 2.068 -5.741
77 HB3 TRP 316 HB3 TRP 316 3.695 0.986 -5.478
78 HD1 TRP 316 HD1 TRP 316 3.249 -1.295 -4.234
79 HE1 TRP 316 HE1 TRP 316 1.089 -2.581 -3.661
80 HE3 TRP 316 HE3 TRP 316 -0.214 2.373 -5.053
81 HZ2 TRP 316 HZ2 TRP 316 -1.732 -2.118 -3.561
82 HZ3 TRP 316 HZ3 TRP 316 -2.626 1.922 -4.714
83 HH2 TRP 316 HH2 TRP 316 -3.390 -0.318 -3.969
84 H ALA 317 H ALA 317 1.825 1.308 -1.898
85 HA ALA 317 HA ALA 317 -0.214 3.484 -2.019
86 HB1 ALA 317 HB1 ALA 317 -0.609 0.887 -2.073
87 HB2 ALA 317 HB2 ALA 317 -1.669 1.890 -1.084
88 HB3 ALA 317 HB3 ALA 317 -0.352 0.992 -0.331
89 H ARG 318 H ARG 318 1.534 4.907 -0.963
90 HA ARG 318 HA ARG 318 1.454 4.570 2.017
91 HB2 ARG 318 HB2 ARG 318 3.692 5.321 0.122
92 HB3 ARG 318 HB3 ARG 318 3.776 5.682 1.846
93 HG2 ARG 318 HG2 ARG 318 3.231 2.903 0.774
94 HG3 ARG 318 HG3 ARG 318 4.853 3.486 1.144
95 HD2 ARG 318 HD2 ARG 318 2.583 3.509 3.162
96 HD3 ARG 318 HD3 ARG 318 3.779 2.205 3.040
97 HE ARG 318 HE ARG 318 5.066 4.803 3.146
98 HH11 ARG 318 HH11 ARG 318 6.209 2.456 4.501
99 HH12 ARG 318 HH12 ARG 318 5.889 2.770 6.175
100 HH21 ARG 318 HH21 ARG 318 3.474 5.188 5.522
101 HH22 ARG 318 HH22 ARG 318 4.331 4.326 6.756
102 HA PRO 319 HA PRO 319 0.033 8.745 2.131
103 HB2 PRO 319 HB2 PRO 319 1.238 9.674 4.410
104 HB3 PRO 319 HB3 PRO 319 -0.131 8.543 4.431
105 HG2 PRO 319 HG2 PRO 319 2.779 7.994 4.753
106 HG3 PRO 319 HG3 PRO 319 1.399 7.295 5.613
107 HD2 PRO 319 HD2 PRO 319 2.696 6.006 3.611
108 HD3 PRO 319 HD3 PRO 319 0.967 5.769 3.955
109 H ASP 320 H ASP 320 3.512 8.353 2.766
110 HA ASP 320 HA ASP 320 4.046 10.872 1.224
111 HB2 ASP 320 HB2 ASP 320 4.835 9.926 3.814
112 HB3 ASP 320 HB3 ASP 320 6.278 10.005 2.803
113 H TYR 321 H TYR 321 3.606 8.336 -0.051
114 HA TYR 321 HA TYR 321 5.664 6.608 -0.617
115 HB2 TYR 321 HB2 TYR 321 3.400 6.585 -1.600
116 HB3 TYR 321 HB3 TYR 321 3.814 7.983 -2.591
117 HD1 TYR 321 HD1 TYR 321 5.920 5.006 -1.751
118 HD2 TYR 321 HD2 TYR 321 3.786 7.151 -4.801
119 HE1 TYR 321 HE2 TYR 321 6.877 3.509 -3.475
120 HE2 TYR 321 HE1 TYR 321 4.744 5.652 -6.524
121 HH TYR 321 HH TYR 321 5.722 3.020 -6.329
122 H ASN 322 H ASN 322 7.695 6.791 -1.358
123 HA ASN 322 HA ASN 322 8.895 9.310 -2.098
124 HB2 ASN 322 HB2 ASN 322 10.889 7.935 -2.365
125 HB3 ASN 322 HB3 ASN 322 9.991 7.335 -0.972
126 HD21 ASN 322 HD21 ASN 322 9.091 5.186 -1.101
127 HD22 ASN 322 HD22 ASN 322 9.346 4.166 -2.435
128 HA PRO 323 HA PRO 323 8.197 9.332 -6.446
129 HB2 PRO 323 HB2 PRO 323 10.498 10.499 -7.362
130 HB3 PRO 323 HB3 PRO 323 9.235 11.398 -6.499
131 HG2 PRO 323 HG2 PRO 323 11.828 10.346 -5.495
132 HG3 PRO 323 HG3 PRO 323 10.998 11.862 -5.110
133 HD2 PRO 323 HD2 PRO 323 10.997 9.670 -3.479
134 HD3 PRO 323 HD3 PRO 323 9.707 10.893 -3.495
135 HA PRO 324 HA PRO 324 10.390 5.525 -7.481
136 HB2 PRO 324 HB2 PRO 324 8.652 4.740 -9.443
137 HB3 PRO 324 HB3 PRO 324 8.331 4.505 -7.715
138 HG2 PRO 324 HG2 PRO 324 7.257 6.549 -9.579
139 HG3 PRO 324 HG3 PRO 324 6.471 5.733 -8.220
140 HD2 PRO 324 HD2 PRO 324 7.464 8.299 -8.140
141 HD3 PRO 324 HD3 PRO 324 7.210 7.270 -6.715
142 H LEU 325 H LEU 325 10.633 4.593 -10.033
143 HA LEU 325 HA LEU 325 12.532 6.324 -11.285
144 HB2 LEU 325 HB2 LEU 325 10.989 3.849 -12.033
145 HB3 LEU 325 HB3 LEU 325 11.990 4.645 -13.248
146 HG LEU 325 HG LEU 325 13.625 4.561 -10.988
147 HD11 LEU 325 HD11 LEU 325 13.571 2.134 -10.378
148 HD12 LEU 325 HD12 LEU 325 12.075 1.972 -11.299
149 HD13 LEU 325 HD13 LEU 325 12.124 3.003 -9.869
150 HD21 LEU 325 HD21 LEU 325 13.480 2.614 -13.315
151 HD22 LEU 325 HD22 LEU 325 14.895 2.908 -12.304
152 HD23 LEU 325 HD23 LEU 325 14.277 4.186 -13.351
153 H LEU 326 H LEU 326 12.258 7.982 -12.745
154 HA LEU 326 HA LEU 326 9.483 8.572 -13.686
155 HB2 LEU 326 HB2 LEU 326 12.016 10.212 -13.366
156 HB3 LEU 326 HB3 LEU 326 10.535 10.850 -14.078
157 HG LEU 326 HG LEU 326 9.670 9.636 -11.719
158 HD11 LEU 326 HD11 LEU 326 11.968 9.429 -10.918
159 HD12 LEU 326 HD12 LEU 326 11.137 10.679 -9.992
160 HD13 LEU 326 HD13 LEU 326 12.271 11.132 -11.266
161 HD21 LEU 326 HD21 LEU 326 8.901 11.781 -12.714
162 HD22 LEU 326 HD22 LEU 326 10.404 12.544 -12.193
163 HD23 LEU 326 HD23 LEU 326 9.256 11.947 -10.994
164 H GLU 327 H GLU 327 9.170 7.631 -15.684
165 HA GLU 327 HA GLU 327 11.133 8.279 -17.838
166 HB2 GLU 327 HB2 GLU 327 11.008 5.917 -18.595
167 HB3 GLU 327 HB3 GLU 327 11.660 6.038 -16.963
168 HG2 GLU 327 HG2 GLU 327 10.009 4.726 -16.177
169 HG3 GLU 327 HG3 GLU 327 8.793 5.837 -16.807
Start of MODEL 19
1 HA LYS 308 HA LYS 308 -8.911 7.904 4.674
2 HB2 LYS 308 HB2 LYS 308 -9.499 9.087 6.873
3 HB3 LYS 308 HB3 LYS 308 -8.141 8.214 7.585
4 HG2 LYS 308 HG2 LYS 308 -6.634 9.181 5.869
5 HG3 LYS 308 HG3 LYS 308 -7.993 10.081 5.198
6 HD2 LYS 308 HD2 LYS 308 -7.004 11.659 6.619
7 HD3 LYS 308 HD3 LYS 308 -8.277 10.983 7.636
8 HE2 LYS 308 HE2 LYS 308 -6.747 9.666 8.881
9 HE3 LYS 308 HE3 LYS 308 -5.481 9.821 7.649
10 HZ1 LYS 308 HZ1 LYS 308 -5.252 11.335 9.631
11 HZ2 LYS 308 HZ2 LYS 308 -6.628 12.159 9.073
12 HZ3 LYS 308 HZ3 LYS 308 -5.221 12.103 8.120
13 H PHE 309 H PHE 309 -7.928 5.816 7.427
14 HA PHE 309 HA PHE 309 -5.284 5.327 6.216
15 HB2 PHE 309 HB2 PHE 309 -6.706 4.320 8.704
16 HB3 PHE 309 HB3 PHE 309 -5.037 3.925 8.298
17 HD1 PHE 309 HD1 PHE 309 -3.575 6.107 7.609
18 HD2 PHE 309 HD2 PHE 309 -7.038 6.105 10.154
19 HE1 PHE 309 HE1 PHE 309 -2.825 8.236 8.636
20 HE2 PHE 309 HE2 PHE 309 -6.286 8.233 11.179
21 HZ PHE 309 HZ PHE 309 -4.179 9.299 10.419
22 HA PRO 310 HA PRO 310 -7.099 1.822 4.058
23 HB2 PRO 310 HB2 PRO 310 -4.880 1.254 2.562
24 HB3 PRO 310 HB3 PRO 310 -6.009 2.563 2.159
25 HG2 PRO 310 HG2 PRO 310 -3.344 2.699 3.459
26 HG3 PRO 310 HG3 PRO 310 -4.104 3.818 2.320
27 HD2 PRO 310 HD2 PRO 310 -3.942 4.230 5.030
28 HD3 PRO 310 HD3 PRO 310 -5.161 4.972 3.971
29 H ARG 311 H ARG 311 -6.460 -0.537 3.880
30 HA ARG 311 HA ARG 311 -5.238 -1.465 6.377
31 HB2 ARG 311 HB2 ARG 311 -6.008 -3.638 5.606
32 HB3 ARG 311 HB3 ARG 311 -7.262 -2.455 5.248
33 HG2 ARG 311 HG2 ARG 311 -7.204 -3.246 3.130
34 HG3 ARG 311 HG3 ARG 311 -5.667 -2.397 2.970
35 HD2 ARG 311 HD2 ARG 311 -5.020 -4.795 4.299
36 HD3 ARG 311 HD3 ARG 311 -6.159 -5.262 3.021
37 HE ARG 311 HE ARG 311 -3.899 -3.431 2.346
38 HH11 ARG 311 HH11 ARG 311 -5.679 -4.519 0.213
39 HH12 ARG 311 HH12 ARG 311 -4.770 -5.869 -0.379
40 HH21 ARG 311 HH21 ARG 311 -2.670 -6.003 2.390
41 HH22 ARG 311 HH22 ARG 311 -3.059 -6.714 0.858
42 H ALA 312 H ALA 312 -3.215 -2.414 6.608
43 HA ALA 312 HA ALA 312 -0.994 -3.011 6.093
44 HB1 ALA 312 HB1 ALA 312 -0.798 -4.418 4.245
45 HB2 ALA 312 HB2 ALA 312 -1.827 -3.403 3.236
46 HB3 ALA 312 HB3 ALA 312 -2.546 -4.429 4.477
47 H MET 313 H MET 313 0.850 -2.405 4.437
48 HA MET 313 HA MET 313 0.400 0.231 3.136
49 HB2 MET 313 HB2 MET 313 1.083 0.248 5.704
50 HB3 MET 313 HB3 MET 313 2.692 -0.062 5.053
51 HG2 MET 313 HG2 MET 313 2.446 1.926 3.576
52 HG3 MET 313 HG3 MET 313 0.881 2.256 4.318
53 HE1 MET 313 HE1 MET 313 1.677 4.443 4.531
54 HE2 MET 313 HE2 MET 313 2.577 5.094 5.897
55 HE3 MET 313 HE3 MET 313 0.994 4.366 6.161
56 HA PRO 314 HA PRO 314 3.276 -2.426 0.746
57 HB2 PRO 314 HB2 PRO 314 2.412 -1.569 -1.705
58 HB3 PRO 314 HB3 PRO 314 1.619 -2.873 -0.804
59 HG2 PRO 314 HG2 PRO 314 0.832 -0.021 -1.095
60 HG3 PRO 314 HG3 PRO 314 -0.182 -1.470 -1.033
61 HD2 PRO 314 HD2 PRO 314 0.174 0.226 1.080
62 HD3 PRO 314 HD3 PRO 314 -0.233 -1.495 1.251
63 H ILE 315 H ILE 315 4.567 -1.464 -1.420
64 HA ILE 315 HA ILE 315 5.863 1.014 -0.395
65 HB ILE 315 HB ILE 315 6.719 -0.736 -2.715
66 HG12 ILE 315 HG12 ILE 315 6.332 -2.197 -0.759
67 HG13 ILE 315 HG13 ILE 315 8.056 -2.034 -1.081
68 HG21 ILE 315 HG21 ILE 315 8.992 0.034 -1.581
69 HG22 ILE 315 HG22 ILE 315 7.979 1.329 -0.946
70 HG23 ILE 315 HG23 ILE 315 8.133 1.104 -2.689
71 HD11 ILE 315 HD11 ILE 315 7.705 -1.782 1.307
72 HD12 ILE 315 HD12 ILE 315 6.460 -0.564 1.037
73 HD13 ILE 315 HD13 ILE 315 8.142 -0.206 0.646
74 H TRP 316 H TRP 316 3.334 0.419 -2.395
75 HA TRP 316 HA TRP 316 4.001 2.721 -4.194
76 HB2 TRP 316 HB2 TRP 316 2.630 1.575 -5.885
77 HB3 TRP 316 HB3 TRP 316 3.892 0.490 -5.308
78 HD1 TRP 316 HD1 TRP 316 3.178 -1.640 -3.970
79 HE1 TRP 316 HE1 TRP 316 0.892 -2.731 -3.468
80 HE3 TRP 316 HE3 TRP 316 0.055 2.130 -5.424
81 HZ2 TRP 316 HZ2 TRP 316 -1.890 -2.085 -3.656
82 HZ3 TRP 316 HZ3 TRP 316 -2.401 1.870 -5.250
83 HH2 TRP 316 HH2 TRP 316 -3.375 -0.227 -4.367
84 H ALA 317 H ALA 317 2.073 1.724 -1.623
85 HA ALA 317 HA ALA 317 0.070 3.865 -2.182
86 HB1 ALA 317 HB1 ALA 317 -1.179 1.665 -0.835
87 HB2 ALA 317 HB2 ALA 317 -0.327 1.030 -2.241
88 HB3 ALA 317 HB3 ALA 317 -1.535 2.297 -2.442
89 H ARG 318 H ARG 318 1.630 4.924 -0.564
90 HA ARG 318 HA ARG 318 0.959 4.084 2.244
91 HB2 ARG 318 HB2 ARG 318 3.492 5.437 1.283
92 HB3 ARG 318 HB3 ARG 318 3.204 4.718 2.864
93 HG2 ARG 318 HG2 ARG 318 3.093 2.495 1.892
94 HG3 ARG 318 HG3 ARG 318 3.205 3.160 0.262
95 HD2 ARG 318 HD2 ARG 318 5.353 3.354 2.408
96 HD3 ARG 318 HD3 ARG 318 5.419 2.349 0.948
97 HE ARG 318 HE ARG 318 5.488 5.330 0.982
98 HH11 ARG 318 HH11 ARG 318 7.707 3.584 -0.138
99 HH12 ARG 318 HH12 ARG 318 7.399 3.691 -1.840
100 HH21 ARG 318 HH21 ARG 318 4.185 4.956 -1.445
101 HH22 ARG 318 HH22 ARG 318 5.399 4.473 -2.583
102 HA PRO 319 HA PRO 319 -0.601 8.330 2.096
103 HB2 PRO 319 HB2 PRO 319 -2.014 8.155 4.434
104 HB3 PRO 319 HB3 PRO 319 -2.636 7.548 2.886
105 HG2 PRO 319 HG2 PRO 319 -1.407 6.060 5.150
106 HG3 PRO 319 HG3 PRO 319 -2.750 5.602 4.093
107 HD2 PRO 319 HD2 PRO 319 -0.211 4.635 3.820
108 HD3 PRO 319 HD3 PRO 319 -1.365 4.770 2.476
109 H ASP 320 H ASP 320 0.783 6.647 4.874
110 HA ASP 320 HA ASP 320 1.986 9.201 5.873
111 HB2 ASP 320 HB2 ASP 320 1.263 6.554 7.173
112 HB3 ASP 320 HB3 ASP 320 2.175 7.815 8.003
113 H TYR 321 H TYR 321 3.209 7.972 3.666
114 HA TYR 321 HA TYR 321 5.038 6.089 3.501
115 HB2 TYR 321 HB2 TYR 321 4.998 7.976 1.992
116 HB3 TYR 321 HB3 TYR 321 5.607 9.053 3.248
117 HD1 TYR 321 HD1 TYR 321 6.735 5.582 2.385
118 HD2 TYR 321 HD2 TYR 321 7.703 9.767 2.437
119 HE1 TYR 321 HE1 TYR 321 9.061 5.052 1.718
120 HE2 TYR 321 HE2 TYR 321 10.031 9.236 1.774
121 HH TYR 321 HH TYR 321 11.500 6.654 2.131
122 H ASN 322 H ASN 322 6.432 5.074 4.804
123 HA ASN 322 HA ASN 322 7.197 5.860 7.418
124 HB2 ASN 322 HB2 ASN 322 8.680 4.060 5.466
125 HB3 ASN 322 HB3 ASN 322 8.775 3.993 7.225
126 HD21 ASN 322 HD21 ASN 322 7.221 2.577 4.578
127 HD22 ASN 322 HD22 ASN 322 5.877 1.931 5.390
128 HA PRO 323 HA PRO 323 10.328 8.877 6.604
129 HB2 PRO 323 HB2 PRO 323 11.647 8.777 9.003
130 HB3 PRO 323 HB3 PRO 323 10.068 9.562 8.796
131 HG2 PRO 323 HG2 PRO 323 10.716 6.876 9.906
132 HG3 PRO 323 HG3 PRO 323 9.509 8.057 10.439
133 HD2 PRO 323 HD2 PRO 323 8.895 5.853 8.966
134 HD3 PRO 323 HD3 PRO 323 7.958 7.363 8.903
135 HA PRO 324 HA PRO 324 13.511 5.924 5.375
136 HB2 PRO 324 HB2 PRO 324 14.660 7.539 3.490
137 HB3 PRO 324 HB3 PRO 324 13.183 6.606 3.193
138 HG2 PRO 324 HG2 PRO 324 13.511 9.494 3.788
139 HG3 PRO 324 HG3 PRO 324 12.345 8.684 2.733
140 HD2 PRO 324 HD2 PRO 324 11.779 9.624 5.258
141 HD3 PRO 324 HD3 PRO 324 10.866 8.345 4.428
142 H LEU 325 H LEU 325 16.043 6.527 4.826
143 HA LEU 325 HA LEU 325 18.111 7.287 5.668
144 HB2 LEU 325 HB2 LEU 325 16.667 9.477 5.364
145 HB3 LEU 325 HB3 LEU 325 16.649 9.471 7.128
146 HG LEU 325 HG LEU 325 19.275 9.025 6.739
147 HD11 LEU 325 HD11 LEU 325 18.435 10.756 4.393
148 HD12 LEU 325 HD12 LEU 325 18.995 9.089 4.258
149 HD13 LEU 325 HD13 LEU 325 20.087 10.341 4.850
150 HD21 LEU 325 HD21 LEU 325 19.593 11.454 7.072
151 HD22 LEU 325 HD22 LEU 325 18.274 10.847 8.073
152 HD23 LEU 325 HD23 LEU 325 17.919 11.738 6.593
153 H LEU 326 H LEU 326 19.348 7.258 7.680
154 HA LEU 326 HA LEU 326 17.801 6.378 10.092
155 HB2 LEU 326 HB2 LEU 326 18.879 4.553 8.613
156 HB3 LEU 326 HB3 LEU 326 20.427 5.178 9.185
157 HG LEU 326 HG LEU 326 19.466 4.904 11.559
158 HD11 LEU 326 HD11 LEU 326 17.117 4.624 10.942
159 HD12 LEU 326 HD12 LEU 326 17.694 3.153 11.725
160 HD13 LEU 326 HD13 LEU 326 17.515 3.205 9.972
161 HD21 LEU 326 HD21 LEU 326 21.133 3.379 10.301
162 HD22 LEU 326 HD22 LEU 326 19.759 2.301 10.052
163 HD23 LEU 326 HD23 LEU 326 20.293 2.684 11.689
164 H GLU 327 H GLU 327 18.465 7.419 11.937
165 HA GLU 327 HA GLU 327 20.744 9.308 11.765
166 HB2 GLU 327 HB2 GLU 327 18.524 8.773 13.761
167 HB3 GLU 327 HB3 GLU 327 19.766 10.000 14.013
168 HG2 GLU 327 HG2 GLU 327 18.954 11.369 12.342
169 HG3 GLU 327 HG3 GLU 327 18.330 10.020 11.394
Start of MODEL 20
1 HA LYS 308 HA LYS 308 -8.883 -3.789 14.433
2 HB2 LYS 308 HB2 LYS 308 -10.851 -5.782 14.288
3 HB3 LYS 308 HB3 LYS 308 -9.328 -6.667 14.212
4 HG2 LYS 308 HG2 LYS 308 -9.665 -6.493 16.518
5 HG3 LYS 308 HG3 LYS 308 -8.628 -5.104 16.198
6 HD2 LYS 308 HD2 LYS 308 -10.243 -3.917 17.271
7 HD3 LYS 308 HD3 LYS 308 -11.115 -4.039 15.741
8 HE2 LYS 308 HE2 LYS 308 -12.112 -6.218 16.595
9 HE3 LYS 308 HE3 LYS 308 -11.416 -5.823 18.179
10 HZ1 LYS 308 HZ1 LYS 308 -13.212 -4.050 16.601
11 HZ2 LYS 308 HZ2 LYS 308 -12.550 -3.695 18.126
12 HZ3 LYS 308 HZ3 LYS 308 -13.680 -4.953 17.958
13 H PHE 309 H PHE 309 -6.977 -5.559 14.647
14 HA PHE 309 HA PHE 309 -5.032 -6.522 13.728
15 HB2 PHE 309 HB2 PHE 309 -6.986 -7.546 12.281
16 HB3 PHE 309 HB3 PHE 309 -6.347 -6.490 11.023
17 HD1 PHE 309 HD1 PHE 309 -5.507 -9.280 13.327
18 HD2 PHE 309 HD2 PHE 309 -4.262 -6.956 9.935
19 HE1 PHE 309 HE2 PHE 309 -3.689 -10.906 12.880
20 HE2 PHE 309 HE1 PHE 309 -2.444 -8.583 9.487
21 HZ PHE 309 HZ PHE 309 -2.157 -10.558 10.960
22 HA PRO 310 HA PRO 310 -3.026 -2.878 12.224
23 HB2 PRO 310 HB2 PRO 310 -0.564 -3.956 11.690
24 HB3 PRO 310 HB3 PRO 310 -1.134 -3.609 13.335
25 HG2 PRO 310 HG2 PRO 310 -1.057 -6.199 11.864
26 HG3 PRO 310 HG3 PRO 310 -0.697 -5.855 13.563
27 HD2 PRO 310 HD2 PRO 310 -3.043 -6.945 12.734
28 HD3 PRO 310 HD3 PRO 310 -2.903 -5.926 14.184
29 H ARG 311 H ARG 311 -3.047 -1.964 10.193
30 HA ARG 311 HA ARG 311 -3.321 -3.737 7.829
31 HB2 ARG 311 HB2 ARG 311 -4.377 -1.270 8.718
32 HB3 ARG 311 HB3 ARG 311 -3.381 -0.882 7.315
33 HG2 ARG 311 HG2 ARG 311 -4.551 -2.617 6.001
34 HG3 ARG 311 HG3 ARG 311 -5.552 -3.000 7.403
35 HD2 ARG 311 HD2 ARG 311 -5.678 -0.165 6.991
36 HD3 ARG 311 HD3 ARG 311 -6.005 -0.967 5.443
37 HE ARG 311 HE ARG 311 -7.733 -2.331 6.639
38 HH11 ARG 311 HH11 ARG 311 -6.785 -1.602 9.434
39 HH12 ARG 311 HH12 ARG 311 -7.997 -0.464 9.920
40 HH21 ARG 311 HH21 ARG 311 -9.177 0.055 6.692
41 HH22 ARG 311 HH22 ARG 311 -9.358 0.477 8.363
42 H ALA 312 H ALA 312 -1.513 -4.249 6.672
43 HA ALA 312 HA ALA 312 0.961 -2.646 6.961
44 HB1 ALA 312 HB1 ALA 312 0.340 -5.187 5.416
45 HB2 ALA 312 HB2 ALA 312 0.909 -5.136 7.085
46 HB3 ALA 312 HB3 ALA 312 1.948 -4.563 5.781
47 H MET 313 H MET 313 1.406 -1.024 5.530
48 HA MET 313 HA MET 313 -0.100 -0.832 2.983
49 HB2 MET 313 HB2 MET 313 1.455 0.923 4.807
50 HB3 MET 313 HB3 MET 313 1.532 1.345 3.096
51 HG2 MET 313 HG2 MET 313 -0.654 1.979 3.022
52 HG3 MET 313 HG3 MET 313 -1.171 0.672 4.086
53 HE1 MET 313 HE1 MET 313 -1.282 1.651 7.383
54 HE2 MET 313 HE2 MET 313 -1.717 0.653 5.998
55 HE3 MET 313 HE3 MET 313 -2.621 2.129 6.331
56 HA PRO 314 HA PRO 314 3.309 -2.475 0.679
57 HB2 PRO 314 HB2 PRO 314 2.534 -1.644 -1.811
58 HB3 PRO 314 HB3 PRO 314 1.777 -3.006 -0.964
59 HG2 PRO 314 HG2 PRO 314 0.823 -0.213 -1.291
60 HG3 PRO 314 HG3 PRO 314 -0.096 -1.725 -1.276
61 HD2 PRO 314 HD2 PRO 314 0.059 0.003 0.848
62 HD3 PRO 314 HD3 PRO 314 -0.281 -1.735 0.998
63 H ILE 315 H ILE 315 4.642 -1.426 -1.408
64 HA ILE 315 HA ILE 315 5.872 1.020 -0.286
65 HB ILE 315 HB ILE 315 6.628 -0.532 -2.777
66 HG12 ILE 315 HG12 ILE 315 6.422 -2.155 -0.960
67 HG13 ILE 315 HG13 ILE 315 8.128 -1.861 -1.281
68 HG21 ILE 315 HG21 ILE 315 8.179 1.181 -0.814
69 HG22 ILE 315 HG22 ILE 315 7.815 1.568 -2.496
70 HG23 ILE 315 HG23 ILE 315 8.917 0.245 -2.113
71 HD11 ILE 315 HD11 ILE 315 8.091 -0.153 0.588
72 HD12 ILE 315 HD12 ILE 315 7.835 -1.818 1.111
73 HD13 ILE 315 HD13 ILE 315 6.465 -0.715 0.978
74 H TRP 316 H TRP 316 3.470 0.318 -2.583
75 HA TRP 316 HA TRP 316 3.977 2.856 -4.078
76 HB2 TRP 316 HB2 TRP 316 2.582 1.819 -5.821
77 HB3 TRP 316 HB3 TRP 316 3.878 0.720 -5.354
78 HD1 TRP 316 HD1 TRP 316 3.236 -1.507 -4.126
79 HE1 TRP 316 HE1 TRP 316 0.986 -2.692 -3.691
80 HE3 TRP 316 HE3 TRP 316 0.002 2.258 -5.334
81 HZ2 TRP 316 HZ2 TRP 316 -1.813 -2.119 -3.838
82 HZ3 TRP 316 HZ3 TRP 316 -2.446 1.912 -5.177
83 HH2 TRP 316 HH2 TRP 316 -3.357 -0.268 -4.432
84 H ALA 317 H ALA 317 1.968 1.495 -1.666
85 HA ALA 317 HA ALA 317 -0.084 3.642 -2.110
86 HB1 ALA 317 HB1 ALA 317 -0.520 0.999 -2.365
87 HB2 ALA 317 HB2 ALA 317 -1.744 2.083 -1.706
88 HB3 ALA 317 HB3 ALA 317 -0.731 1.133 -0.620
89 H ARG 318 H ARG 318 1.608 4.816 -0.692
90 HA ARG 318 HA ARG 318 1.066 4.243 2.202
91 HB2 ARG 318 HB2 ARG 318 3.594 5.031 0.733
92 HB3 ARG 318 HB3 ARG 318 3.439 5.167 2.486
93 HG2 ARG 318 HG2 ARG 318 2.496 2.592 1.856
94 HG3 ARG 318 HG3 ARG 318 3.945 2.811 0.877
95 HD2 ARG 318 HD2 ARG 318 4.629 1.901 3.027
96 HD3 ARG 318 HD3 ARG 318 5.131 3.601 2.982
97 HE ARG 318 HE ARG 318 2.463 3.451 4.015
98 HH11 ARG 318 HH11 ARG 318 3.871 1.180 5.464
99 HH12 ARG 318 HH12 ARG 318 4.463 1.988 6.876
100 HH21 ARG 318 HH21 ARG 318 4.017 5.175 5.554
101 HH22 ARG 318 HH22 ARG 318 4.540 4.263 6.931
102 HA PRO 319 HA PRO 319 -0.304 8.490 2.038
103 HB2 PRO 319 HB2 PRO 319 -0.757 8.784 4.724
104 HB3 PRO 319 HB3 PRO 319 -1.876 7.927 3.646
105 HG2 PRO 319 HG2 PRO 319 0.159 6.831 5.521
106 HG3 PRO 319 HG3 PRO 319 -1.464 6.235 5.141
107 HD2 PRO 319 HD2 PRO 319 0.819 5.149 4.120
108 HD3 PRO 319 HD3 PRO 319 -0.751 5.093 3.290
109 H ASP 320 H ASP 320 2.040 7.325 4.418
110 HA ASP 320 HA ASP 320 3.424 9.979 4.417
111 HB2 ASP 320 HB2 ASP 320 3.538 7.575 6.278
112 HB3 ASP 320 HB3 ASP 320 4.450 9.065 6.509
113 H TYR 321 H TYR 321 3.706 8.297 2.145
114 HA TYR 321 HA TYR 321 5.535 6.381 1.744
115 HB2 TYR 321 HB2 TYR 321 4.452 7.769 0.009
116 HB3 TYR 321 HB3 TYR 321 5.566 9.087 0.373
117 HD1 TYR 321 HD1 TYR 321 5.549 5.464 -0.596
118 HD2 TYR 321 HD2 TYR 321 7.600 9.234 -0.775
119 HE1 TYR 321 HE1 TYR 321 7.226 4.480 -2.133
120 HE2 TYR 321 HE2 TYR 321 9.276 8.249 -2.313
121 HH TYR 321 HH TYR 321 9.036 5.972 -4.079
122 H ASN 322 H ASN 322 7.503 5.907 2.549
123 HA ASN 322 HA ASN 322 9.177 7.783 3.976
124 HB2 ASN 322 HB2 ASN 322 9.565 4.988 2.861
125 HB3 ASN 322 HB3 ASN 322 10.780 5.798 3.847
126 HD21 ASN 322 HD21 ASN 322 7.826 3.984 3.966
127 HD22 ASN 322 HD22 ASN 322 7.564 4.120 5.637
128 HA PRO 323 HA PRO 323 11.540 9.454 0.648
129 HB2 PRO 323 HB2 PRO 323 13.969 9.822 1.860
130 HB3 PRO 323 HB3 PRO 323 12.557 10.845 2.191
131 HG2 PRO 323 HG2 PRO 323 13.663 8.578 3.773
132 HG3 PRO 323 HG3 PRO 323 12.985 10.117 4.328
133 HD2 PRO 323 HD2 PRO 323 11.605 7.775 4.384
134 HD3 PRO 323 HD3 PRO 323 10.825 9.363 4.206
135 HA PRO 324 HA PRO 324 13.455 5.625 -0.754
136 HB2 PRO 324 HB2 PRO 324 13.486 6.291 -3.408
137 HB3 PRO 324 HB3 PRO 324 12.036 5.700 -2.577
138 HG2 PRO 324 HG2 PRO 324 12.778 8.467 -3.351
139 HG3 PRO 324 HG3 PRO 324 11.188 7.689 -3.315
140 HD2 PRO 324 HD2 PRO 324 12.119 9.433 -1.399
141 HD3 PRO 324 HD3 PRO 324 10.840 8.231 -1.135
142 H LEU 325 H LEU 325 15.303 5.507 -2.752
143 HA LEU 325 HA LEU 325 17.638 6.818 -1.606
144 HB2 LEU 325 HB2 LEU 325 17.127 4.558 -3.072
145 HB3 LEU 325 HB3 LEU 325 17.794 5.619 -4.312
146 HG LEU 325 HG LEU 325 19.617 6.119 -2.460
147 HD11 LEU 325 HD11 LEU 325 18.335 4.702 -0.782
148 HD12 LEU 325 HD12 LEU 325 20.037 4.282 -0.969
149 HD13 LEU 325 HD13 LEU 325 18.795 3.294 -1.738
150 HD21 LEU 325 HD21 LEU 325 19.502 3.538 -4.057
151 HD22 LEU 325 HD22 LEU 325 20.969 4.246 -3.382
152 HD23 LEU 325 HD23 LEU 325 20.082 5.097 -4.646
153 H LEU 326 H LEU 326 17.879 9.003 -1.927
154 HA LEU 326 HA LEU 326 18.260 11.024 -3.075
155 HB2 LEU 326 HB2 LEU 326 19.173 9.080 -4.716
156 HB3 LEU 326 HB3 LEU 326 17.881 9.726 -5.729
157 HG LEU 326 HG LEU 326 19.273 11.942 -4.584
158 HD11 LEU 326 HD11 LEU 326 21.531 11.560 -5.507
159 HD12 LEU 326 HD12 LEU 326 21.076 9.910 -5.935
160 HD13 LEU 326 HD13 LEU 326 21.158 10.390 -4.240
161 HD21 LEU 326 HD21 LEU 326 18.057 11.927 -6.728
162 HD22 LEU 326 HD22 LEU 326 19.235 10.798 -7.397
163 HD23 LEU 326 HD23 LEU 326 19.728 12.436 -6.971
164 H GLU 327 H GLU 327 17.052 12.625 -4.388
165 HA GLU 327 HA GLU 327 14.123 12.051 -4.360
166 HB2 GLU 327 HB2 GLU 327 15.904 14.460 -4.127
167 HB3 GLU 327 HB3 GLU 327 14.234 14.684 -4.651
168 HG2 GLU 327 HG2 GLU 327 13.352 13.945 -2.628
169 HG3 GLU 327 HG3 GLU 327 14.778 12.984 -2.240
Start of MODEL 21
1 HA LYS 308 HA LYS 308 6.789 -13.586 -2.898
2 HB2 LYS 308 HB2 LYS 308 5.839 -15.841 -3.957
3 HB3 LYS 308 HB3 LYS 308 4.459 -14.812 -4.337
4 HG2 LYS 308 HG2 LYS 308 6.892 -13.405 -4.974
5 HG3 LYS 308 HG3 LYS 308 6.919 -14.992 -5.741
6 HD2 LYS 308 HD2 LYS 308 4.447 -13.275 -5.887
7 HD3 LYS 308 HD3 LYS 308 5.781 -13.017 -7.010
8 HE2 LYS 308 HE2 LYS 308 5.638 -15.343 -7.776
9 HE3 LYS 308 HE3 LYS 308 4.359 -15.673 -6.593
10 HZ1 LYS 308 HZ1 LYS 308 4.267 -13.759 -8.863
11 HZ2 LYS 308 HZ2 LYS 308 3.116 -13.772 -7.613
12 HZ3 LYS 308 HZ3 LYS 308 3.289 -15.124 -8.626
13 H PHE 309 H PHE 309 4.837 -12.875 -0.742
14 HA PHE 309 HA PHE 309 3.408 -10.720 -2.213
15 HB2 PHE 309 HB2 PHE 309 2.254 -13.088 -0.879
16 HB3 PHE 309 HB3 PHE 309 1.523 -11.561 -0.385
17 HD1 PHE 309 HD1 PHE 309 0.625 -9.989 -2.153
18 HD2 PHE 309 HD2 PHE 309 1.831 -14.017 -3.035
19 HE1 PHE 309 HE2 PHE 309 -0.648 -9.905 -4.279
20 HE2 PHE 309 HE1 PHE 309 0.558 -13.932 -5.160
21 HZ PHE 309 HZ PHE 309 -0.682 -11.876 -5.783
22 HA PRO 310 HA PRO 310 4.924 -8.571 1.359
23 HB2 PRO 310 HB2 PRO 310 3.617 -6.200 0.951
24 HB3 PRO 310 HB3 PRO 310 5.038 -6.696 0.009
25 HG2 PRO 310 HG2 PRO 310 2.159 -6.779 -0.722
26 HG3 PRO 310 HG3 PRO 310 3.570 -6.412 -1.725
27 HD2 PRO 310 HD2 PRO 310 2.260 -8.819 -1.736
28 HD3 PRO 310 HD3 PRO 310 3.963 -8.607 -2.197
29 H ARG 311 H ARG 311 4.163 -8.712 3.438
30 HA ARG 311 HA ARG 311 1.390 -9.344 3.991
31 HB2 ARG 311 HB2 ARG 311 2.181 -9.809 6.154
32 HB3 ARG 311 HB3 ARG 311 3.591 -10.095 5.151
33 HG2 ARG 311 HG2 ARG 311 3.035 -7.666 6.883
34 HG3 ARG 311 HG3 ARG 311 4.297 -8.865 7.103
35 HD2 ARG 311 HD2 ARG 311 4.171 -7.174 4.593
36 HD3 ARG 311 HD3 ARG 311 5.027 -6.635 6.048
37 HE ARG 311 HE ARG 311 5.633 -9.294 4.808
38 HH11 ARG 311 HH11 ARG 311 7.086 -6.760 3.846
39 HH12 ARG 311 HH12 ARG 311 8.537 -6.844 4.786
40 HH21 ARG 311 HH21 ARG 311 7.267 -9.189 7.016
41 HH22 ARG 311 HH22 ARG 311 8.640 -8.225 6.589
42 H ALA 312 H ALA 312 0.523 -7.335 2.938
43 HA ALA 312 HA ALA 312 -0.632 -5.294 3.155
44 HB1 ALA 312 HB1 ALA 312 -1.412 -4.824 5.306
45 HB2 ALA 312 HB2 ALA 312 0.123 -5.245 6.063
46 HB3 ALA 312 HB3 ALA 312 -0.947 -6.517 5.474
47 H MET 313 H MET 313 -0.238 -2.933 3.980
48 HA MET 313 HA MET 313 1.134 -1.019 3.874
49 HB2 MET 313 HB2 MET 313 1.849 -2.430 5.984
50 HB3 MET 313 HB3 MET 313 3.320 -2.718 5.055
51 HG2 MET 313 HG2 MET 313 3.570 -0.248 4.767
52 HG3 MET 313 HG3 MET 313 2.168 -0.015 5.810
53 HE1 MET 313 HE1 MET 313 3.017 -1.521 9.077
54 HE2 MET 313 HE2 MET 313 1.828 -1.148 7.831
55 HE3 MET 313 HE3 MET 313 2.625 0.162 8.699
56 HA PRO 314 HA PRO 314 3.347 -2.822 0.175
57 HB2 PRO 314 HB2 PRO 314 2.115 -1.234 -1.686
58 HB3 PRO 314 HB3 PRO 314 1.470 -2.802 -1.166
59 HG2 PRO 314 HG2 PRO 314 0.679 -0.057 -0.323
60 HG3 PRO 314 HG3 PRO 314 -0.335 -1.472 -0.645
61 HD2 PRO 314 HD2 PRO 314 0.310 -0.651 1.863
62 HD3 PRO 314 HD3 PRO 314 -0.003 -2.352 1.448
63 H ILE 315 H ILE 315 4.448 -1.321 -1.620
64 HA ILE 315 HA ILE 315 5.663 0.986 -0.148
65 HB ILE 315 HB ILE 315 7.164 0.464 -2.473
66 HG12 ILE 315 HG12 ILE 315 7.712 -2.032 -1.944
67 HG13 ILE 315 HG13 ILE 315 6.093 -2.083 -1.253
68 HG21 ILE 315 HG21 ILE 315 7.480 -0.213 0.449
69 HG22 ILE 315 HG22 ILE 315 8.230 1.096 -0.466
70 HG23 ILE 315 HG23 ILE 315 8.747 -0.571 -0.724
71 HD11 ILE 315 HD11 ILE 315 5.632 -2.670 -3.456
72 HD12 ILE 315 HD12 ILE 315 6.929 -1.665 -4.101
73 HD13 ILE 315 HD13 ILE 315 5.432 -0.920 -3.544
74 H TRP 316 H TRP 316 3.416 0.388 -2.560
75 HA TRP 316 HA TRP 316 4.015 2.943 -3.983
76 HB2 TRP 316 HB2 TRP 316 2.546 1.965 -5.749
77 HB3 TRP 316 HB3 TRP 316 3.924 0.933 -5.378
78 HD1 TRP 316 HD1 TRP 316 3.466 -1.403 -4.323
79 HE1 TRP 316 HE1 TRP 316 1.316 -2.753 -3.852
80 HE3 TRP 316 HE3 TRP 316 -0.039 2.236 -5.054
81 HZ2 TRP 316 HZ2 TRP 316 -1.516 -2.338 -3.794
82 HZ3 TRP 316 HZ3 TRP 316 -2.449 1.735 -4.785
83 HH2 TRP 316 HH2 TRP 316 -3.191 -0.543 -4.156
84 H ALA 317 H ALA 317 1.866 1.542 -1.703
85 HA ALA 317 HA ALA 317 -0.128 3.737 -2.181
86 HB1 ALA 317 HB1 ALA 317 -1.152 1.600 -0.560
87 HB2 ALA 317 HB2 ALA 317 -0.367 0.894 -1.973
88 HB3 ALA 317 HB3 ALA 317 -1.659 2.076 -2.180
89 H ARG 318 H ARG 318 1.620 4.909 -0.794
90 HA ARG 318 HA ARG 318 1.007 4.489 2.115
91 HB2 ARG 318 HB2 ARG 318 3.627 5.411 0.887
92 HB3 ARG 318 HB3 ARG 318 3.341 4.982 2.572
93 HG2 ARG 318 HG2 ARG 318 2.660 2.657 1.660
94 HG3 ARG 318 HG3 ARG 318 3.451 3.163 0.165
95 HD2 ARG 318 HD2 ARG 318 4.787 3.179 2.898
96 HD3 ARG 318 HD3 ARG 318 5.011 1.917 1.672
97 HE ARG 318 HE ARG 318 5.645 4.009 0.164
98 HH11 ARG 318 HH11 ARG 318 7.467 2.532 2.363
99 HH12 ARG 318 HH12 ARG 318 8.396 3.897 2.881
100 HH21 ARG 318 HH21 ARG 318 6.344 6.222 1.310
101 HH22 ARG 318 HH22 ARG 318 7.757 5.997 2.283
102 HA PRO 319 HA PRO 319 0.108 8.816 2.237
103 HB2 PRO 319 HB2 PRO 319 1.197 9.568 4.639
104 HB3 PRO 319 HB3 PRO 319 -0.299 8.621 4.514
105 HG2 PRO 319 HG2 PRO 319 2.480 7.705 5.083
106 HG3 PRO 319 HG3 PRO 319 0.951 7.183 5.808
107 HD2 PRO 319 HD2 PRO 319 2.239 5.741 3.914
108 HD3 PRO 319 HD3 PRO 319 0.468 5.745 4.082
109 H ASP 320 H ASP 320 3.405 7.850 3.026
110 HA ASP 320 HA ASP 320 4.481 10.379 1.839
111 HB2 ASP 320 HB2 ASP 320 5.423 8.366 3.885
112 HB3 ASP 320 HB3 ASP 320 6.588 9.411 3.072
113 H TYR 321 H TYR 321 3.472 8.272 0.157
114 HA TYR 321 HA TYR 321 5.053 6.244 -0.789
115 HB2 TYR 321 HB2 TYR 321 2.919 6.845 -1.756
116 HB3 TYR 321 HB3 TYR 321 3.548 8.396 -2.302
117 HD1 TYR 321 HD1 TYR 321 4.939 4.910 -2.510
118 HD2 TYR 321 HD2 TYR 321 3.611 8.400 -4.633
119 HE1 TYR 321 HE1 TYR 321 5.645 3.877 -4.648
120 HE2 TYR 321 HE2 TYR 321 4.315 7.366 -6.773
121 HH TYR 321 HH TYR 321 4.621 4.724 -7.523
122 H ASN 322 H ASN 322 7.153 6.106 -1.371
123 HA ASN 322 HA ASN 322 8.946 8.304 -1.623
124 HB2 ASN 322 HB2 ASN 322 10.528 6.605 -2.279
125 HB3 ASN 322 HB3 ASN 322 9.426 5.855 -1.129
126 HD21 ASN 322 HD21 ASN 322 8.045 4.143 -1.902
127 HD22 ASN 322 HD22 ASN 322 8.140 3.538 -3.486
128 HA PRO 323 HA PRO 323 8.244 9.676 -5.751
129 HB2 PRO 323 HB2 PRO 323 10.697 10.748 -6.321
130 HB3 PRO 323 HB3 PRO 323 9.535 11.519 -5.223
131 HG2 PRO 323 HG2 PRO 323 11.958 9.917 -4.594
132 HG3 PRO 323 HG3 PRO 323 11.296 11.338 -3.771
133 HD2 PRO 323 HD2 PRO 323 11.003 8.765 -2.873
134 HD3 PRO 323 HD3 PRO 323 9.887 10.091 -2.483
135 HA PRO 324 HA PRO 324 9.950 6.063 -7.853
136 HB2 PRO 324 HB2 PRO 324 8.195 6.119 -9.952
137 HB3 PRO 324 HB3 PRO 324 7.789 5.438 -8.366
138 HG2 PRO 324 HG2 PRO 324 7.059 8.066 -9.539
139 HG3 PRO 324 HG3 PRO 324 6.118 6.997 -8.488
140 HD2 PRO 324 HD2 PRO 324 7.412 9.261 -7.631
141 HD3 PRO 324 HD3 PRO 324 7.005 7.883 -6.586
142 H LEU 325 H LEU 325 10.371 5.794 -10.433
143 HA LEU 325 HA LEU 325 12.126 8.058 -11.172
144 HB2 LEU 325 HB2 LEU 325 12.055 5.227 -11.483
145 HB3 LEU 325 HB3 LEU 325 12.003 5.917 -13.104
146 HG LEU 325 HG LEU 325 14.331 5.565 -12.373
147 HD11 LEU 325 HD11 LEU 325 13.878 8.539 -12.268
148 HD12 LEU 325 HD12 LEU 325 13.506 7.637 -13.736
149 HD13 LEU 325 HD13 LEU 325 15.149 7.640 -13.096
150 HD21 LEU 325 HD21 LEU 325 15.241 6.549 -10.428
151 HD22 LEU 325 HD22 LEU 325 13.667 5.959 -9.894
152 HD23 LEU 325 HD23 LEU 325 13.890 7.671 -10.255
153 H LEU 326 H LEU 326 11.724 9.458 -12.880
154 HA LEU 326 HA LEU 326 9.586 8.853 -14.841
155 HB2 LEU 326 HB2 LEU 326 8.977 10.152 -12.494
156 HB3 LEU 326 HB3 LEU 326 9.315 11.508 -13.570
157 HG LEU 326 HG LEU 326 7.527 9.247 -14.456
158 HD11 LEU 326 HD11 LEU 326 6.570 10.043 -12.355
159 HD12 LEU 326 HD12 LEU 326 5.602 10.644 -13.700
160 HD13 LEU 326 HD13 LEU 326 6.738 11.717 -12.882
161 HD21 LEU 326 HD21 LEU 326 6.547 11.338 -15.693
162 HD22 LEU 326 HD22 LEU 326 8.064 10.645 -16.268
163 HD23 LEU 326 HD23 LEU 326 8.082 12.096 -15.265
164 H GLU 327 H GLU 327 11.019 9.089 -16.576
165 HA GLU 327 HA GLU 327 12.360 10.188 -18.171
166 HB2 GLU 327 HB2 GLU 327 10.288 11.826 -17.405
167 HB3 GLU 327 HB3 GLU 327 11.683 12.866 -17.121
168 HG2 GLU 327 HG2 GLU 327 12.448 12.559 -19.403
169 HG3 GLU 327 HG3 GLU 327 11.187 11.365 -19.707
Start of MODEL 22
1 HA LYS 308 HA LYS 308 -12.940 -1.463 5.919
2 HB2 LYS 308 HB2 LYS 308 -14.668 -0.391 7.612
3 HB3 LYS 308 HB3 LYS 308 -13.351 -0.588 8.768
4 HG2 LYS 308 HG2 LYS 308 -11.888 0.551 6.928
5 HG3 LYS 308 HG3 LYS 308 -13.433 1.095 6.274
6 HD2 LYS 308 HD2 LYS 308 -13.993 2.219 8.337
7 HD3 LYS 308 HD3 LYS 308 -12.594 1.521 9.154
8 HE2 LYS 308 HE2 LYS 308 -11.065 2.782 7.725
9 HE3 LYS 308 HE3 LYS 308 -12.427 3.408 6.774
10 HZ1 LYS 308 HZ1 LYS 308 -12.073 3.789 9.704
11 HZ2 LYS 308 HZ2 LYS 308 -13.334 4.421 8.756
12 HZ3 LYS 308 HZ3 LYS 308 -11.741 4.965 8.529
13 H PHE 309 H PHE 309 -11.086 -2.795 5.805
14 HA PHE 309 HA PHE 309 -9.392 -2.860 8.243
15 HB2 PHE 309 HB2 PHE 309 -10.957 -4.941 7.916
16 HB3 PHE 309 HB3 PHE 309 -9.814 -5.381 6.647
17 HD1 PHE 309 HD1 PHE 309 -10.205 -4.741 10.274
18 HD2 PHE 309 HD2 PHE 309 -7.566 -6.100 7.169
19 HE1 PHE 309 HE2 PHE 309 -8.642 -5.619 11.987
20 HE2 PHE 309 HE1 PHE 309 -6.004 -6.979 8.882
21 HZ PHE 309 HZ PHE 309 -6.541 -6.738 11.291
22 HA PRO 310 HA PRO 310 -6.489 -1.941 4.998
23 HB2 PRO 310 HB2 PRO 310 -4.229 -1.967 6.544
24 HB3 PRO 310 HB3 PRO 310 -5.385 -0.620 6.539
25 HG2 PRO 310 HG2 PRO 310 -5.064 -2.830 8.504
26 HG3 PRO 310 HG3 PRO 310 -5.448 -1.124 8.777
27 HD2 PRO 310 HD2 PRO 310 -7.306 -3.123 8.832
28 HD3 PRO 310 HD3 PRO 310 -7.683 -1.436 8.417
29 H ARG 311 H ARG 311 -4.688 -3.052 3.898
30 HA ARG 311 HA ARG 311 -4.415 -5.942 4.676
31 HB2 ARG 311 HB2 ARG 311 -5.279 -4.573 2.225
32 HB3 ARG 311 HB3 ARG 311 -4.008 -5.759 1.930
33 HG2 ARG 311 HG2 ARG 311 -5.694 -7.278 1.918
34 HG3 ARG 311 HG3 ARG 311 -5.647 -7.116 3.674
35 HD2 ARG 311 HD2 ARG 311 -7.791 -6.379 3.581
36 HD3 ARG 311 HD3 ARG 311 -7.199 -4.934 2.740
37 HE ARG 311 HE ARG 311 -7.545 -6.117 0.601
38 HH11 ARG 311 HH11 ARG 311 -10.222 -6.176 2.021
39 HH12 ARG 311 HH12 ARG 311 -10.689 -7.830 1.815
40 HH21 ARG 311 HH21 ARG 311 -7.494 -8.895 0.949
41 HH22 ARG 311 HH22 ARG 311 -9.137 -9.377 1.206
42 H ALA 312 H ALA 312 -2.389 -5.657 5.724
43 HA ALA 312 HA ALA 312 -0.044 -5.476 5.868
44 HB1 ALA 312 HB1 ALA 312 1.040 -6.438 4.045
45 HB2 ALA 312 HB2 ALA 312 0.058 -5.562 2.870
46 HB3 ALA 312 HB3 ALA 312 -0.621 -6.942 3.733
47 H MET 313 H MET 313 1.850 -4.225 4.283
48 HA MET 313 HA MET 313 0.842 -1.433 3.880
49 HB2 MET 313 HB2 MET 313 2.744 -2.533 5.850
50 HB3 MET 313 HB3 MET 313 3.344 -1.116 4.991
51 HG2 MET 313 HG2 MET 313 0.536 -0.938 5.917
52 HG3 MET 313 HG3 MET 313 1.753 -0.973 7.193
53 HE1 MET 313 HE1 MET 313 0.951 1.447 7.935
54 HE2 MET 313 HE2 MET 313 -0.245 1.341 6.646
55 HE3 MET 313 HE3 MET 313 0.747 2.788 6.799
56 HA PRO 314 HA PRO 314 3.392 -2.703 0.294
57 HB2 PRO 314 HB2 PRO 314 1.995 -1.220 -1.530
58 HB3 PRO 314 HB3 PRO 314 1.506 -2.847 -1.025
59 HG2 PRO 314 HG2 PRO 314 0.450 -0.202 -0.173
60 HG3 PRO 314 HG3 PRO 314 -0.411 -1.723 -0.456
61 HD2 PRO 314 HD2 PRO 314 0.227 -0.773 2.026
62 HD3 PRO 314 HD3 PRO 314 -0.002 -2.495 1.654
63 H ILE 315 H ILE 315 4.333 -1.093 -1.488
64 HA ILE 315 HA ILE 315 5.417 1.264 -0.011
65 HB ILE 315 HB ILE 315 6.319 -0.047 -2.596
66 HG12 ILE 315 HG12 ILE 315 6.396 -1.679 -0.760
67 HG13 ILE 315 HG13 ILE 315 8.030 -1.174 -1.183
68 HG21 ILE 315 HG21 ILE 315 7.529 1.984 -0.717
69 HG22 ILE 315 HG22 ILE 315 7.286 2.112 -2.458
70 HG23 ILE 315 HG23 ILE 315 8.527 1.035 -1.818
71 HD11 ILE 315 HD11 ILE 315 7.990 0.460 0.691
72 HD12 ILE 315 HD12 ILE 315 7.763 -1.195 1.256
73 HD13 ILE 315 HD13 ILE 315 6.380 -0.110 1.131
74 H TRP 316 H TRP 316 4.073 0.375 -3.174
75 HA TRP 316 HA TRP 316 3.964 2.996 -4.300
76 HB2 TRP 316 HB2 TRP 316 2.443 1.933 -5.910
77 HB3 TRP 316 HB3 TRP 316 3.767 0.837 -5.528
78 HD1 TRP 316 HD1 TRP 316 3.219 -1.305 -4.038
79 HE1 TRP 316 HE1 TRP 316 1.001 -2.509 -3.508
80 HE3 TRP 316 HE3 TRP 316 -0.109 2.284 -5.501
81 HZ2 TRP 316 HZ2 TRP 316 -1.813 -2.015 -3.680
82 HZ3 TRP 316 HZ3 TRP 316 -2.549 1.892 -5.309
83 HH2 TRP 316 HH2 TRP 316 -3.403 -0.251 -4.400
84 H ALA 317 H ALA 317 1.858 1.362 -2.020
85 HA ALA 317 HA ALA 317 -0.093 3.635 -2.173
86 HB1 ALA 317 HB1 ALA 317 -1.402 1.764 -2.442
87 HB2 ALA 317 HB2 ALA 317 -1.298 1.698 -0.683
88 HB3 ALA 317 HB3 ALA 317 -0.222 0.707 -1.668
89 H ARG 318 H ARG 318 1.713 4.772 -0.858
90 HA ARG 318 HA ARG 318 1.345 4.157 2.055
91 HB2 ARG 318 HB2 ARG 318 3.715 4.279 0.355
92 HB3 ARG 318 HB3 ARG 318 3.842 5.376 1.731
93 HG2 ARG 318 HG2 ARG 318 3.414 3.582 3.291
94 HG3 ARG 318 HG3 ARG 318 3.031 2.468 1.977
95 HD2 ARG 318 HD2 ARG 318 5.370 2.714 1.127
96 HD3 ARG 318 HD3 ARG 318 5.741 3.723 2.540
97 HE ARG 318 HE ARG 318 4.849 0.867 2.717
98 HH11 ARG 318 HH11 ARG 318 4.439 2.493 5.192
99 HH12 ARG 318 HH12 ARG 318 5.919 2.232 6.056
100 HH21 ARG 318 HH21 ARG 318 7.630 1.036 3.276
101 HH22 ARG 318 HH22 ARG 318 7.734 1.404 4.964
102 HA PRO 319 HA PRO 319 -0.004 8.429 1.862
103 HB2 PRO 319 HB2 PRO 319 -0.679 8.627 4.508
104 HB3 PRO 319 HB3 PRO 319 -1.720 7.848 3.300
105 HG2 PRO 319 HG2 PRO 319 0.125 6.617 5.286
106 HG3 PRO 319 HG3 PRO 319 -1.481 6.089 4.761
107 HD2 PRO 319 HD2 PRO 319 0.824 4.956 3.868
108 HD3 PRO 319 HD3 PRO 319 -0.668 5.021 2.903
109 H ASP 320 H ASP 320 2.157 7.113 4.339
110 HA ASP 320 HA ASP 320 3.484 9.775 4.638
111 HB2 ASP 320 HB2 ASP 320 2.505 8.157 6.522
112 HB3 ASP 320 HB3 ASP 320 4.079 7.381 6.343
113 H TYR 321 H TYR 321 3.998 8.280 2.238
114 HA TYR 321 HA TYR 321 6.257 6.562 2.313
115 HB2 TYR 321 HB2 TYR 321 4.805 6.878 0.364
116 HB3 TYR 321 HB3 TYR 321 5.310 8.562 0.233
117 HD1 TYR 321 HD1 TYR 321 6.814 5.121 0.403
118 HD2 TYR 321 HD2 TYR 321 7.046 9.088 -1.230
119 HE1 TYR 321 HE1 TYR 321 8.757 4.441 -0.976
120 HE2 TYR 321 HE2 TYR 321 8.989 8.405 -2.610
121 HH TYR 321 HH TYR 321 10.869 6.072 -2.106
122 H ASN 322 H ASN 322 8.322 6.988 2.880
123 HA ASN 322 HA ASN 322 9.263 9.619 3.614
124 HB2 ASN 322 HB2 ASN 322 11.327 8.423 4.088
125 HB3 ASN 322 HB3 ASN 322 9.979 7.388 4.553
126 HD21 ASN 322 HD21 ASN 322 9.646 5.416 3.339
127 HD22 ASN 322 HD22 ASN 322 10.728 4.893 2.142
128 HA PRO 323 HA PRO 323 10.850 11.036 -0.245
129 HB2 PRO 323 HB2 PRO 323 12.966 12.560 0.585
130 HB3 PRO 323 HB3 PRO 323 11.276 13.054 0.802
131 HG2 PRO 323 HG2 PRO 323 13.176 11.895 2.768
132 HG3 PRO 323 HG3 PRO 323 11.918 13.119 2.996
133 HD2 PRO 323 HD2 PRO 323 11.666 10.481 3.722
134 HD3 PRO 323 HD3 PRO 323 10.299 11.563 3.373
135 HA PRO 324 HA PRO 324 14.052 7.901 -0.791
136 HB2 PRO 324 HB2 PRO 324 13.780 7.704 -3.505
137 HB3 PRO 324 HB3 PRO 324 12.695 6.896 -2.362
138 HG2 PRO 324 HG2 PRO 324 12.276 9.374 -3.939
139 HG3 PRO 324 HG3 PRO 324 11.121 8.111 -3.493
140 HD2 PRO 324 HD2 PRO 324 11.309 10.556 -2.249
141 HD3 PRO 324 HD3 PRO 324 10.627 9.096 -1.503
142 H LEU 325 H LEU 325 15.909 7.810 -2.590
143 HA LEU 325 HA LEU 325 17.010 10.589 -2.887
144 HB2 LEU 325 HB2 LEU 325 18.021 8.882 -1.230
145 HB3 LEU 325 HB3 LEU 325 18.586 8.017 -2.658
146 HG LEU 325 HG LEU 325 19.179 10.849 -2.882
147 HD11 LEU 325 HD11 LEU 325 19.223 10.767 -0.416
148 HD12 LEU 325 HD12 LEU 325 20.851 10.961 -1.064
149 HD13 LEU 325 HD13 LEU 325 20.318 9.386 -0.479
150 HD21 LEU 325 HD21 LEU 325 20.191 8.764 -4.037
151 HD22 LEU 325 HD22 LEU 325 21.133 8.566 -2.560
152 HD23 LEU 325 HD23 LEU 325 21.308 10.030 -3.529
153 H LEU 326 H LEU 326 16.814 11.130 -5.033
154 HA LEU 326 HA LEU 326 17.045 11.031 -7.371
155 HB2 LEU 326 HB2 LEU 326 19.124 9.372 -6.158
156 HB3 LEU 326 HB3 LEU 326 18.702 8.811 -7.774
157 HG LEU 326 HG LEU 326 20.523 10.503 -7.814
158 HD11 LEU 326 HD11 LEU 326 18.795 10.252 -9.667
159 HD12 LEU 326 HD12 LEU 326 19.627 11.805 -9.610
160 HD13 LEU 326 HD13 LEU 326 17.985 11.661 -8.985
161 HD21 LEU 326 HD21 LEU 326 19.711 11.766 -5.802
162 HD22 LEU 326 HD22 LEU 326 18.396 12.409 -6.787
163 HD23 LEU 326 HD23 LEU 326 20.068 12.808 -7.180
164 H GLU 327 H GLU 327 16.970 9.184 -9.239
165 HA GLU 327 HA GLU 327 14.420 7.783 -8.801
166 HB2 GLU 327 HB2 GLU 327 14.595 7.365 -11.220
167 HB3 GLU 327 HB3 GLU 327 14.961 9.053 -10.870
168 HG2 GLU 327 HG2 GLU 327 17.437 7.784 -10.667
169 HG3 GLU 327 HG3 GLU 327 16.669 6.995 -12.043
Start of MODEL 23
1 HA LYS 308 HA LYS 308 0.417 2.949 17.297
2 HB2 LYS 308 HB2 LYS 308 1.952 4.615 18.324
3 HB3 LYS 308 HB3 LYS 308 1.344 3.473 19.522
4 HG2 LYS 308 HG2 LYS 308 3.399 2.309 19.632
5 HG3 LYS 308 HG3 LYS 308 3.965 2.984 18.104
6 HD2 LYS 308 HD2 LYS 308 3.403 5.176 19.832
7 HD3 LYS 308 HD3 LYS 308 4.347 4.012 20.759
8 HE2 LYS 308 HE2 LYS 308 5.434 4.258 18.077
9 HE3 LYS 308 HE3 LYS 308 5.350 5.845 18.867
10 HZ1 LYS 308 HZ1 LYS 308 6.471 3.373 20.087
11 HZ2 LYS 308 HZ2 LYS 308 6.392 4.900 20.830
12 HZ3 LYS 308 HZ3 LYS 308 7.388 4.662 19.474
13 H PHE 309 H PHE 309 1.685 1.071 15.536
14 HA PHE 309 HA PHE 309 3.545 2.894 14.043
15 HB2 PHE 309 HB2 PHE 309 3.704 -0.098 14.530
16 HB3 PHE 309 HB3 PHE 309 4.740 0.764 13.394
17 HD1 PHE 309 HD1 PHE 309 6.015 2.857 14.361
18 HD2 PHE 309 HD2 PHE 309 4.377 -0.307 16.763
19 HE1 PHE 309 HE2 PHE 309 7.533 3.481 16.219
20 HE2 PHE 309 HE1 PHE 309 5.897 0.317 18.620
21 HZ PHE 309 HZ PHE 309 7.475 2.210 18.348
22 HA PRO 310 HA PRO 310 0.002 1.612 11.363
23 HB2 PRO 310 HB2 PRO 310 -0.413 4.086 10.266
24 HB3 PRO 310 HB3 PRO 310 -1.149 3.571 11.795
25 HG2 PRO 310 HG2 PRO 310 1.208 5.318 11.325
26 HG3 PRO 310 HG3 PRO 310 -0.052 5.429 12.562
27 HD2 PRO 310 HD2 PRO 310 2.461 4.435 13.016
28 HD3 PRO 310 HD3 PRO 310 1.028 3.997 13.971
29 H ARG 311 H ARG 311 2.005 0.517 10.374
30 HA ARG 311 HA ARG 311 2.753 1.908 7.826
31 HB2 ARG 311 HB2 ARG 311 4.449 0.553 9.925
32 HB3 ARG 311 HB3 ARG 311 5.018 0.684 8.261
33 HG2 ARG 311 HG2 ARG 311 4.208 3.232 8.650
34 HG3 ARG 311 HG3 ARG 311 4.641 2.810 10.306
35 HD2 ARG 311 HD2 ARG 311 6.893 2.498 9.783
36 HD3 ARG 311 HD3 ARG 311 6.549 2.114 8.084
37 HE ARG 311 HE ARG 311 5.936 4.542 7.796
38 HH11 ARG 311 HH11 ARG 311 6.035 4.963 10.872
39 HH12 ARG 311 HH12 ARG 311 7.496 5.885 11.009
40 HH21 ARG 311 HH21 ARG 311 8.591 5.114 7.799
41 HH22 ARG 311 HH22 ARG 311 8.950 5.968 9.262
42 H ALA 312 H ALA 312 0.683 -0.151 8.337
43 HA ALA 312 HA ALA 312 1.844 -2.641 7.205
44 HB1 ALA 312 HB1 ALA 312 0.233 -2.595 9.140
45 HB2 ALA 312 HB2 ALA 312 -0.340 -3.565 7.782
46 HB3 ALA 312 HB3 ALA 312 -0.992 -1.948 8.048
47 H MET 313 H MET 313 2.245 -1.020 5.219
48 HA MET 313 HA MET 313 0.032 -1.514 3.277
49 HB2 MET 313 HB2 MET 313 1.163 1.075 4.252
50 HB3 MET 313 HB3 MET 313 0.786 0.964 2.534
51 HG2 MET 313 HG2 MET 313 -1.499 0.592 2.928
52 HG3 MET 313 HG3 MET 313 -1.223 0.071 4.590
53 HE1 MET 313 HE1 MET 313 -3.370 2.212 3.443
54 HE2 MET 313 HE2 MET 313 -3.377 3.348 4.789
55 HE3 MET 313 HE3 MET 313 -3.315 1.617 5.109
56 HA PRO 314 HA PRO 314 3.376 -2.502 0.585
57 HB2 PRO 314 HB2 PRO 314 2.456 -1.634 -1.842
58 HB3 PRO 314 HB3 PRO 314 1.837 -3.085 -1.034
59 HG2 PRO 314 HG2 PRO 314 0.666 -0.356 -1.183
60 HG3 PRO 314 HG3 PRO 314 -0.138 -1.931 -1.245
61 HD2 PRO 314 HD2 PRO 314 -0.088 -0.355 0.980
62 HD3 PRO 314 HD3 PRO 314 -0.217 -2.127 1.036
63 H ILE 315 H ILE 315 4.743 -1.363 -1.299
64 HA ILE 315 HA ILE 315 5.755 1.144 -0.170
65 HB ILE 315 HB ILE 315 6.506 -0.282 -2.739
66 HG12 ILE 315 HG12 ILE 315 6.569 -1.888 -0.886
67 HG13 ILE 315 HG13 ILE 315 8.211 -1.454 -1.350
68 HG21 ILE 315 HG21 ILE 315 8.788 0.702 -2.046
69 HG22 ILE 315 HG22 ILE 315 7.870 1.723 -0.939
70 HG23 ILE 315 HG23 ILE 315 7.585 1.827 -2.676
71 HD11 ILE 315 HD11 ILE 315 8.144 -1.372 1.044
72 HD12 ILE 315 HD12 ILE 315 6.642 -0.448 1.034
73 HD13 ILE 315 HD13 ILE 315 8.142 0.302 0.491
74 H TRP 316 H TRP 316 3.797 0.213 -2.926
75 HA TRP 316 HA TRP 316 3.927 2.866 -4.181
76 HB2 TRP 316 HB2 TRP 316 2.484 1.806 -5.856
77 HB3 TRP 316 HB3 TRP 316 3.813 0.725 -5.446
78 HD1 TRP 316 HD1 TRP 316 3.254 -1.501 -4.159
79 HE1 TRP 316 HE1 TRP 316 1.037 -2.724 -3.658
80 HE3 TRP 316 HE3 TRP 316 -0.081 2.194 -5.309
81 HZ2 TRP 316 HZ2 TRP 316 -1.776 -2.203 -3.731
82 HZ3 TRP 316 HZ3 TRP 316 -2.517 1.806 -5.084
83 HH2 TRP 316 HH2 TRP 316 -3.368 -0.384 -4.296
84 H ALA 317 H ALA 317 2.010 1.427 -1.713
85 HA ALA 317 HA ALA 317 -0.083 3.555 -2.073
86 HB1 ALA 317 HB1 ALA 317 -0.580 1.031 -0.539
87 HB2 ALA 317 HB2 ALA 317 -0.507 0.927 -2.298
88 HB3 ALA 317 HB3 ALA 317 -1.694 1.977 -1.526
89 H ARG 318 H ARG 318 1.616 4.802 -0.737
90 HA ARG 318 HA ARG 318 1.191 4.266 2.183
91 HB2 ARG 318 HB2 ARG 318 3.670 5.004 0.613
92 HB3 ARG 318 HB3 ARG 318 3.577 5.198 2.364
93 HG2 ARG 318 HG2 ARG 318 2.637 2.640 2.036
94 HG3 ARG 318 HG3 ARG 318 3.843 2.749 0.754
95 HD2 ARG 318 HD2 ARG 318 5.515 3.548 2.416
96 HD3 ARG 318 HD3 ARG 318 4.305 3.338 3.698
97 HE ARG 318 HE ARG 318 4.889 1.010 1.939
98 HH11 ARG 318 HH11 ARG 318 3.313 0.969 4.557
99 HH12 ARG 318 HH12 ARG 318 4.474 0.265 5.633
100 HH21 ARG 318 HH21 ARG 318 7.165 0.819 3.500
101 HH22 ARG 318 HH22 ARG 318 6.664 0.172 5.026
102 HA PRO 319 HA PRO 319 0.167 8.546 2.506
103 HB2 PRO 319 HB2 PRO 319 1.213 9.184 4.963
104 HB3 PRO 319 HB3 PRO 319 -0.210 8.153 4.762
105 HG2 PRO 319 HG2 PRO 319 2.605 7.399 5.329
106 HG3 PRO 319 HG3 PRO 319 1.100 6.695 5.939
107 HD2 PRO 319 HD2 PRO 319 2.619 5.599 3.941
108 HD3 PRO 319 HD3 PRO 319 0.878 5.310 4.152
109 H ASP 320 H ASP 320 2.100 10.355 4.129
110 HA ASP 320 HA ASP 320 3.742 11.224 1.881
111 HB2 ASP 320 HB2 ASP 320 3.286 12.052 4.747
112 HB3 ASP 320 HB3 ASP 320 4.548 12.820 3.784
113 H TYR 321 H TYR 321 4.498 8.554 2.605
114 HA TYR 321 HA TYR 321 6.887 8.615 4.284
115 HB2 TYR 321 HB2 TYR 321 6.636 6.338 4.193
116 HB3 TYR 321 HB3 TYR 321 5.044 6.739 3.560
117 HD1 TYR 321 HD1 TYR 321 4.931 7.113 0.934
118 HD2 TYR 321 HD2 TYR 321 8.033 4.937 2.961
119 HE1 TYR 321 HE2 TYR 321 5.500 5.944 -1.181
120 HE2 TYR 321 HE1 TYR 321 8.598 3.771 0.850
121 HH TYR 321 HH TYR 321 6.619 3.684 -1.792
122 H ASN 322 H ASN 322 8.821 7.278 3.031
123 HA ASN 322 HA ASN 322 10.335 9.027 1.508
124 HB2 ASN 322 HB2 ASN 322 10.168 6.010 1.184
125 HB3 ASN 322 HB3 ASN 322 11.554 7.014 0.770
126 HD21 ASN 322 HD21 ASN 322 10.542 4.948 3.132
127 HD22 ASN 322 HD22 ASN 322 11.343 5.621 4.470
128 HA PRO 323 HA PRO 323 8.575 9.349 -2.515
129 HB2 PRO 323 HB2 PRO 323 10.828 9.520 -4.072
130 HB3 PRO 323 HB3 PRO 323 10.245 10.849 -3.051
131 HG2 PRO 323 HG2 PRO 323 12.406 8.862 -2.523
132 HG3 PRO 323 HG3 PRO 323 12.371 10.603 -2.193
133 HD2 PRO 323 HD2 PRO 323 11.949 8.757 -0.268
134 HD3 PRO 323 HD3 PRO 323 11.153 10.347 -0.255
135 HA PRO 324 HA PRO 324 8.722 4.985 -3.616
136 HB2 PRO 324 HB2 PRO 324 6.460 5.026 -5.157
137 HB3 PRO 324 HB3 PRO 324 6.425 4.946 -3.387
138 HG2 PRO 324 HG2 PRO 324 6.008 7.277 -5.185
139 HG3 PRO 324 HG3 PRO 324 5.184 6.855 -3.676
140 HD2 PRO 324 HD2 PRO 324 7.137 8.752 -3.847
141 HD3 PRO 324 HD3 PRO 324 6.798 7.820 -2.372
142 H LEU 325 H LEU 325 8.426 3.861 -5.882
143 HA LEU 325 HA LEU 325 9.306 3.570 -8.053
144 HB2 LEU 325 HB2 LEU 325 7.963 6.226 -7.920
145 HB3 LEU 325 HB3 LEU 325 8.970 5.934 -9.336
146 HG LEU 325 HG LEU 325 6.671 5.232 -9.795
147 HD11 LEU 325 HD11 LEU 325 7.184 3.167 -10.754
148 HD12 LEU 325 HD12 LEU 325 8.156 2.652 -9.375
149 HD13 LEU 325 HD13 LEU 325 8.789 3.852 -10.504
150 HD21 LEU 325 HD21 LEU 325 5.475 3.694 -8.462
151 HD22 LEU 325 HD22 LEU 325 6.268 4.734 -7.278
152 HD23 LEU 325 HD23 LEU 325 6.932 3.139 -7.636
153 H LEU 326 H LEU 326 11.167 4.608 -5.886
154 HA LEU 326 HA LEU 326 13.363 5.447 -5.696
155 HB2 LEU 326 HB2 LEU 326 13.168 4.464 -8.556
156 HB3 LEU 326 HB3 LEU 326 14.691 4.991 -7.841
157 HG LEU 326 HG LEU 326 13.045 3.015 -6.314
158 HD11 LEU 326 HD11 LEU 326 14.729 2.345 -8.747
159 HD12 LEU 326 HD12 LEU 326 12.995 2.078 -8.567
160 HD13 LEU 326 HD13 LEU 326 14.135 1.161 -7.583
161 HD21 LEU 326 HD21 LEU 326 16.025 3.310 -6.823
162 HD22 LEU 326 HD22 LEU 326 15.270 2.236 -5.645
163 HD23 LEU 326 HD23 LEU 326 15.169 3.983 -5.435
164 H GLU 327 H GLU 327 11.215 7.389 -6.462
165 HA GLU 327 HA GLU 327 12.992 9.544 -7.470
166 HB2 GLU 327 HB2 GLU 327 10.891 8.167 -8.968
167 HB3 GLU 327 HB3 GLU 327 10.598 9.904 -8.877
168 HG2 GLU 327 HG2 GLU 327 12.428 10.417 -10.148
169 HG3 GLU 327 HG3 GLU 327 13.395 9.110 -9.466
Start of MODEL 24
1 HA LYS 308 HA LYS 308 -14.122 -5.729 7.982
2 HB2 LYS 308 HB2 LYS 308 -13.167 -6.722 10.099
3 HB3 LYS 308 HB3 LYS 308 -13.953 -7.901 9.052
4 HG2 LYS 308 HG2 LYS 308 -11.759 -8.578 8.150
5 HG3 LYS 308 HG3 LYS 308 -10.963 -7.384 9.176
6 HD2 LYS 308 HD2 LYS 308 -12.498 -8.757 10.998
7 HD3 LYS 308 HD3 LYS 308 -12.045 -10.035 9.870
8 HE2 LYS 308 HE2 LYS 308 -9.965 -10.100 10.763
9 HE3 LYS 308 HE3 LYS 308 -9.735 -8.383 10.379
10 HZ1 LYS 308 HZ1 LYS 308 -10.952 -7.788 12.369
11 HZ2 LYS 308 HZ2 LYS 308 -9.646 -8.794 12.782
12 HZ3 LYS 308 HZ3 LYS 308 -11.224 -9.422 12.737
13 H PHE 309 H PHE 309 -12.644 -4.160 6.558
14 HA PHE 309 HA PHE 309 -11.024 -2.447 6.517
15 HB2 PHE 309 HB2 PHE 309 -11.530 -2.907 9.472
16 HB3 PHE 309 HB3 PHE 309 -10.592 -1.545 8.863
17 HD1 PHE 309 HD1 PHE 309 -11.684 0.059 7.210
18 HD2 PHE 309 HD2 PHE 309 -13.905 -2.876 9.427
19 HE1 PHE 309 HE1 PHE 309 -13.784 1.298 6.749
20 HE2 PHE 309 HE2 PHE 309 -16.003 -1.637 8.966
21 HZ PHE 309 HZ PHE 309 -15.942 0.449 7.626
22 HA PRO 310 HA PRO 310 -7.598 -5.496 7.401
23 HB2 PRO 310 HB2 PRO 310 -6.699 -5.705 4.824
24 HB3 PRO 310 HB3 PRO 310 -7.974 -6.744 5.491
25 HG2 PRO 310 HG2 PRO 310 -8.203 -4.365 3.724
26 HG3 PRO 310 HG3 PRO 310 -9.142 -5.866 3.726
27 HD2 PRO 310 HD2 PRO 310 -10.034 -3.503 4.783
28 HD3 PRO 310 HD3 PRO 310 -10.596 -5.103 5.311
29 H ARG 311 H ARG 311 -5.338 -4.924 7.464
30 HA ARG 311 HA ARG 311 -4.797 -2.039 6.956
31 HB2 ARG 311 HB2 ARG 311 -4.420 -3.268 9.170
32 HB3 ARG 311 HB3 ARG 311 -3.088 -4.103 8.371
33 HG2 ARG 311 HG2 ARG 311 -1.820 -2.345 9.034
34 HG3 ARG 311 HG3 ARG 311 -2.600 -1.465 7.720
35 HD2 ARG 311 HD2 ARG 311 -2.935 -0.093 9.648
36 HD3 ARG 311 HD3 ARG 311 -4.476 -0.948 9.444
37 HE ARG 311 HE ARG 311 -3.687 -2.576 11.168
38 HH11 ARG 311 HH11 ARG 311 -0.807 -2.067 11.257
39 HH12 ARG 311 HH12 ARG 311 -0.622 -1.017 12.622
40 HH21 ARG 311 HH21 ARG 311 -3.988 -0.151 12.737
41 HH22 ARG 311 HH22 ARG 311 -2.432 0.072 13.464
42 H ALA 312 H ALA 312 -3.981 -1.656 4.920
43 HA ALA 312 HA ALA 312 -1.920 -3.558 3.839
44 HB1 ALA 312 HB1 ALA 312 -4.016 -1.826 2.492
45 HB2 ALA 312 HB2 ALA 312 -3.971 -3.588 2.543
46 HB3 ALA 312 HB3 ALA 312 -2.763 -2.701 1.612
47 H MET 313 H MET 313 0.087 -2.658 3.572
48 HA MET 313 HA MET 313 0.327 0.261 3.034
49 HB2 MET 313 HB2 MET 313 2.037 0.393 4.882
50 HB3 MET 313 HB3 MET 313 0.403 0.065 5.455
51 HG2 MET 313 HG2 MET 313 1.905 -2.377 4.819
52 HG3 MET 313 HG3 MET 313 2.650 -1.420 6.097
53 HE1 MET 313 HE1 MET 313 -0.084 -4.528 6.956
54 HE2 MET 313 HE2 MET 313 1.570 -4.316 6.389
55 HE3 MET 313 HE3 MET 313 0.226 -4.088 5.271
56 HA PRO 314 HA PRO 314 3.317 -2.459 0.710
57 HB2 PRO 314 HB2 PRO 314 2.569 -1.673 -1.800
58 HB3 PRO 314 HB3 PRO 314 1.807 -3.024 -0.943
59 HG2 PRO 314 HG2 PRO 314 0.838 -0.248 -1.342
60 HG3 PRO 314 HG3 PRO 314 -0.071 -1.764 -1.288
61 HD2 PRO 314 HD2 PRO 314 0.079 0.035 0.786
62 HD3 PRO 314 HD3 PRO 314 -0.295 -1.693 0.975
63 H ILE 315 H ILE 315 4.665 -1.408 -1.395
64 HA ILE 315 HA ILE 315 5.818 1.080 -0.267
65 HB ILE 315 HB ILE 315 6.735 -0.436 -2.718
66 HG12 ILE 315 HG12 ILE 315 6.416 -2.104 -0.934
67 HG13 ILE 315 HG13 ILE 315 8.134 -1.818 -1.195
68 HG21 ILE 315 HG21 ILE 315 7.916 1.486 -0.741
69 HG22 ILE 315 HG22 ILE 315 8.061 1.461 -2.498
70 HG23 ILE 315 HG23 ILE 315 8.974 0.310 -1.521
71 HD11 ILE 315 HD11 ILE 315 6.431 -1.118 1.143
72 HD12 ILE 315 HD12 ILE 315 7.675 0.049 0.697
73 HD13 ILE 315 HD13 ILE 315 8.122 -1.609 1.093
74 H TRP 316 H TRP 316 3.439 0.338 -2.525
75 HA TRP 316 HA TRP 316 3.968 2.818 -4.110
76 HB2 TRP 316 HB2 TRP 316 2.572 1.740 -5.825
77 HB3 TRP 316 HB3 TRP 316 3.870 0.655 -5.334
78 HD1 TRP 316 HD1 TRP 316 3.232 -1.556 -4.087
79 HE1 TRP 316 HE1 TRP 316 0.985 -2.733 -3.619
80 HE3 TRP 316 HE3 TRP 316 -0.007 2.200 -5.306
81 HZ2 TRP 316 HZ2 TRP 316 -1.816 -2.156 -3.745
82 HZ3 TRP 316 HZ3 TRP 316 -2.453 1.862 -5.123
83 HH2 TRP 316 HH2 TRP 316 -3.362 -0.307 -4.344
84 H ALA 317 H ALA 317 1.965 1.515 -1.663
85 HA ALA 317 HA ALA 317 -0.060 3.681 -2.124
86 HB1 ALA 317 HB1 ALA 317 -1.685 2.100 -2.050
87 HB2 ALA 317 HB2 ALA 317 -0.994 1.366 -0.603
88 HB3 ALA 317 HB3 ALA 317 -0.401 0.901 -2.198
89 H ARG 318 H ARG 318 1.649 4.799 -0.674
90 HA ARG 318 HA ARG 318 1.062 4.211 2.209
91 HB2 ARG 318 HB2 ARG 318 3.620 5.046 0.809
92 HB3 ARG 318 HB3 ARG 318 3.426 5.091 2.561
93 HG2 ARG 318 HG2 ARG 318 2.823 2.576 1.021
94 HG3 ARG 318 HG3 ARG 318 4.478 2.966 1.484
95 HD2 ARG 318 HD2 ARG 318 2.596 3.318 3.706
96 HD3 ARG 318 HD3 ARG 318 2.639 1.652 3.098
97 HE ARG 318 HE ARG 318 5.128 3.155 3.833
98 HH11 ARG 318 HH11 ARG 318 5.518 0.586 2.404
99 HH12 ARG 318 HH12 ARG 318 5.661 -0.556 3.700
100 HH21 ARG 318 HH21 ARG 318 4.282 1.570 6.077
101 HH22 ARG 318 HH22 ARG 318 4.961 0.005 5.785
102 HA PRO 319 HA PRO 319 -0.302 8.444 2.150
103 HB2 PRO 319 HB2 PRO 319 -0.463 8.802 4.862
104 HB3 PRO 319 HB3 PRO 319 -1.677 7.900 3.933
105 HG2 PRO 319 HG2 PRO 319 0.586 6.880 5.580
106 HG3 PRO 319 HG3 PRO 319 -1.066 6.262 5.428
107 HD2 PRO 319 HD2 PRO 319 1.053 5.141 4.161
108 HD3 PRO 319 HD3 PRO 319 -0.600 5.105 3.505
109 H ASP 320 H ASP 320 2.338 7.383 4.256
110 HA ASP 320 HA ASP 320 3.650 10.065 3.975
111 HB2 ASP 320 HB2 ASP 320 3.788 7.862 6.059
112 HB3 ASP 320 HB3 ASP 320 4.887 9.240 6.051
113 H TYR 321 H TYR 321 3.798 8.086 1.877
114 HA TYR 321 HA TYR 321 5.889 6.265 1.823
115 HB2 TYR 321 HB2 TYR 321 4.312 6.733 -0.011
116 HB3 TYR 321 HB3 TYR 321 5.084 8.293 -0.288
117 HD1 TYR 321 HD1 TYR 321 6.397 4.822 0.324
118 HD2 TYR 321 HD2 TYR 321 6.343 8.264 -2.248
119 HE1 TYR 321 HE2 TYR 321 8.061 3.741 -1.158
120 HE2 TYR 321 HE1 TYR 321 8.009 7.179 -3.731
121 HH TYR 321 HH TYR 321 8.592 4.258 -4.011
122 H ASN 322 H ASN 322 8.033 6.412 2.164
123 HA ASN 322 HA ASN 322 9.371 8.953 2.644
124 HB2 ASN 322 HB2 ASN 322 10.464 6.136 2.303
125 HB3 ASN 322 HB3 ASN 322 11.292 7.481 3.083
126 HD21 ASN 322 HD21 ASN 322 9.188 4.833 3.665
127 HD22 ASN 322 HD22 ASN 322 8.701 5.269 5.231
128 HA PRO 323 HA PRO 323 10.897 9.727 -1.414
129 HB2 PRO 323 HB2 PRO 323 13.324 10.874 -0.865
130 HB3 PRO 323 HB3 PRO 323 11.779 11.709 -0.605
131 HG2 PRO 323 HG2 PRO 323 13.540 10.333 1.362
132 HG3 PRO 323 HG3 PRO 323 12.618 11.836 1.529
133 HD2 PRO 323 HD2 PRO 323 11.804 9.455 2.571
134 HD3 PRO 323 HD3 PRO 323 10.681 10.741 2.072
135 HA PRO 324 HA PRO 324 13.355 5.974 -1.860
136 HB2 PRO 324 HB2 PRO 324 12.957 5.705 -4.554
137 HB3 PRO 324 HB3 PRO 324 11.762 5.211 -3.343
138 HG2 PRO 324 HG2 PRO 324 11.850 7.660 -5.026
139 HG3 PRO 324 HG3 PRO 324 10.461 6.682 -4.529
140 HD2 PRO 324 HD2 PRO 324 11.137 9.064 -3.370
141 HD3 PRO 324 HD3 PRO 324 10.240 7.776 -2.537
142 H LEU 325 H LEU 325 15.092 5.392 -3.692
143 HA LEU 325 HA LEU 325 16.571 7.813 -4.613
144 HB2 LEU 325 HB2 LEU 325 17.193 6.108 -2.323
145 HB3 LEU 325 HB3 LEU 325 18.522 6.152 -3.480
146 HG LEU 325 HG LEU 325 17.156 8.703 -2.646
147 HD11 LEU 325 HD11 LEU 325 19.362 7.230 -1.179
148 HD12 LEU 325 HD12 LEU 325 17.779 7.677 -0.541
149 HD13 LEU 325 HD13 LEU 325 18.965 8.928 -0.913
150 HD21 LEU 325 HD21 LEU 325 19.499 9.553 -3.114
151 HD22 LEU 325 HD22 LEU 325 18.669 8.882 -4.518
152 HD23 LEU 325 HD23 LEU 325 19.899 7.933 -3.684
153 H LEU 326 H LEU 326 18.711 6.902 -5.767
154 HA LEU 326 HA LEU 326 18.203 4.306 -7.131
155 HB2 LEU 326 HB2 LEU 326 18.481 5.487 -9.345
156 HB3 LEU 326 HB3 LEU 326 17.013 5.935 -8.482
157 HG LEU 326 HG LEU 326 19.256 7.638 -7.723
158 HD11 LEU 326 HD11 LEU 326 18.428 7.571 -10.641
159 HD12 LEU 326 HD12 LEU 326 20.031 7.198 -10.005
160 HD13 LEU 326 HD13 LEU 326 19.398 8.841 -9.894
161 HD21 LEU 326 HD21 LEU 326 16.818 8.070 -7.343
162 HD22 LEU 326 HD22 LEU 326 16.614 8.251 -9.085
163 HD23 LEU 326 HD23 LEU 326 17.624 9.389 -8.193
164 H GLU 327 H GLU 327 20.128 3.251 -7.521
165 HA GLU 327 HA GLU 327 22.664 4.854 -7.512
166 HB2 GLU 327 HB2 GLU 327 22.032 2.296 -5.995
167 HB3 GLU 327 HB3 GLU 327 23.616 3.071 -6.045
168 HG2 GLU 327 HG2 GLU 327 22.021 5.174 -5.311
169 HG3 GLU 327 HG3 GLU 327 21.196 3.828 -4.526
Start of MODEL 25
1 HA LYS 308 HA LYS 308 8.725 -8.937 10.872
2 HB2 LYS 308 HB2 LYS 308 9.318 -10.625 12.767
3 HB3 LYS 308 HB3 LYS 308 7.574 -10.748 12.999
4 HG2 LYS 308 HG2 LYS 308 7.342 -11.299 10.564
5 HG3 LYS 308 HG3 LYS 308 9.101 -11.317 10.440
6 HD2 LYS 308 HD2 LYS 308 8.049 -12.941 12.661
7 HD3 LYS 308 HD3 LYS 308 7.555 -13.506 11.064
8 HE2 LYS 308 HE2 LYS 308 9.995 -13.368 10.362
9 HE3 LYS 308 HE3 LYS 308 10.388 -13.087 12.070
10 HZ1 LYS 308 HZ1 LYS 308 10.447 -15.452 11.559
11 HZ2 LYS 308 HZ2 LYS 308 8.843 -15.395 11.000
12 HZ3 LYS 308 HZ3 LYS 308 9.185 -15.115 12.640
13 H PHE 309 H PHE 309 7.026 -7.984 9.795
14 HA PHE 309 HA PHE 309 4.296 -8.164 11.036
15 HB2 PHE 309 HB2 PHE 309 5.812 -5.918 9.738
16 HB3 PHE 309 HB3 PHE 309 4.055 -5.949 9.594
17 HD1 PHE 309 HD1 PHE 309 2.615 -5.746 11.571
18 HD2 PHE 309 HD2 PHE 309 6.897 -5.603 11.903
19 HE1 PHE 309 HE1 PHE 309 2.407 -4.851 13.874
20 HE2 PHE 309 HE2 PHE 309 6.688 -4.709 14.206
21 HZ PHE 309 HZ PHE 309 4.444 -4.333 15.191
22 HA PRO 310 HA PRO 310 3.912 -10.287 7.049
23 HB2 PRO 310 HB2 PRO 310 1.634 -11.650 7.711
24 HB3 PRO 310 HB3 PRO 310 3.255 -12.190 8.191
25 HG2 PRO 310 HG2 PRO 310 1.178 -10.787 9.785
26 HG3 PRO 310 HG3 PRO 310 2.327 -12.039 10.278
27 HD2 PRO 310 HD2 PRO 310 2.628 -9.365 10.821
28 HD3 PRO 310 HD3 PRO 310 3.969 -10.527 10.735
29 H ARG 311 H ARG 311 2.530 -9.832 5.274
30 HA ARG 311 HA ARG 311 1.058 -8.492 4.002
31 HB2 ARG 311 HB2 ARG 311 -0.440 -9.437 6.436
32 HB3 ARG 311 HB3 ARG 311 -1.250 -8.386 5.273
33 HG2 ARG 311 HG2 ARG 311 -0.569 -9.988 3.455
34 HG3 ARG 311 HG3 ARG 311 0.031 -11.074 4.709
35 HD2 ARG 311 HD2 ARG 311 -2.264 -11.076 5.737
36 HD3 ARG 311 HD3 ARG 311 -2.835 -10.128 4.349
37 HE ARG 311 HE ARG 311 -2.268 -12.014 2.890
38 HH11 ARG 311 HH11 ARG 311 -0.087 -13.287 4.444
39 HH12 ARG 311 HH12 ARG 311 -0.861 -14.680 5.121
40 HH21 ARG 311 HH21 ARG 311 -4.078 -13.491 4.555
41 HH22 ARG 311 HH22 ARG 311 -3.130 -14.796 5.185
42 H ALA 312 H ALA 312 2.860 -6.815 5.122
43 HA ALA 312 HA ALA 312 1.537 -4.746 6.759
44 HB1 ALA 312 HB1 ALA 312 4.013 -5.650 6.749
45 HB2 ALA 312 HB2 ALA 312 3.720 -3.933 7.022
46 HB3 ALA 312 HB3 ALA 312 4.225 -4.498 5.430
47 H MET 313 H MET 313 2.204 -2.366 5.849
48 HA MET 313 HA MET 313 0.537 -1.860 3.571
49 HB2 MET 313 HB2 MET 313 2.494 -0.361 5.272
50 HB3 MET 313 HB3 MET 313 1.974 0.388 3.764
51 HG2 MET 313 HG2 MET 313 -0.066 -0.773 5.646
52 HG3 MET 313 HG3 MET 313 0.593 0.835 5.941
53 HE1 MET 313 HE1 MET 313 -2.899 -0.157 3.601
54 HE2 MET 313 HE2 MET 313 -2.109 -0.849 5.015
55 HE3 MET 313 HE3 MET 313 -1.633 -1.375 3.403
56 HA PRO 314 HA PRO 314 3.373 -2.745 0.293
57 HB2 PRO 314 HB2 PRO 314 2.177 -1.297 -1.697
58 HB3 PRO 314 HB3 PRO 314 1.541 -2.843 -1.106
59 HG2 PRO 314 HG2 PRO 314 0.665 -0.070 -0.475
60 HG3 PRO 314 HG3 PRO 314 -0.305 -1.530 -0.722
61 HD2 PRO 314 HD2 PRO 314 0.265 -0.503 1.737
62 HD3 PRO 314 HD3 PRO 314 -0.043 -2.227 1.442
63 H ILE 315 H ILE 315 4.519 -1.337 -1.546
64 HA ILE 315 HA ILE 315 5.683 1.046 -0.171
65 HB ILE 315 HB ILE 315 6.754 -0.294 -2.654
66 HG12 ILE 315 HG12 ILE 315 6.283 -2.121 -1.056
67 HG13 ILE 315 HG13 ILE 315 8.016 -1.859 -1.212
68 HG21 ILE 315 HG21 ILE 315 7.870 1.739 -1.940
69 HG22 ILE 315 HG22 ILE 315 8.921 0.369 -1.578
70 HG23 ILE 315 HG23 ILE 315 7.997 1.137 -0.287
71 HD11 ILE 315 HD11 ILE 315 7.307 -0.135 0.844
72 HD12 ILE 315 HD12 ILE 315 8.045 -1.723 1.047
73 HD13 ILE 315 HD13 ILE 315 6.292 -1.547 1.135
74 H TRP 316 H TRP 316 3.406 0.362 -2.546
75 HA TRP 316 HA TRP 316 4.007 2.847 -4.092
76 HB2 TRP 316 HB2 TRP 316 2.613 1.812 -5.826
77 HB3 TRP 316 HB3 TRP 316 3.846 0.668 -5.298
78 HD1 TRP 316 HD1 TRP 316 3.074 -1.481 -4.003
79 HE1 TRP 316 HE1 TRP 316 0.764 -2.546 -3.583
80 HE3 TRP 316 HE3 TRP 316 0.045 2.377 -5.430
81 HZ2 TRP 316 HZ2 TRP 316 -2.003 -1.857 -3.825
82 HZ3 TRP 316 HZ3 TRP 316 -2.420 2.146 -5.327
83 HH2 TRP 316 HH2 TRP 316 -3.446 0.038 -4.526
84 H ALA 317 H ALA 317 1.879 1.572 -1.713
85 HA ALA 317 HA ALA 317 -0.050 3.819 -2.207
86 HB1 ALA 317 HB1 ALA 317 -0.378 0.935 -1.927
87 HB2 ALA 317 HB2 ALA 317 -1.552 2.140 -2.453
88 HB3 ALA 317 HB3 ALA 317 -1.342 1.807 -0.735
89 H ARG 318 H ARG 318 1.662 4.897 -0.734
90 HA ARG 318 HA ARG 318 0.982 4.367 2.141
91 HB2 ARG 318 HB2 ARG 318 3.400 3.946 0.863
92 HB3 ARG 318 HB3 ARG 318 3.611 5.558 1.545
93 HG2 ARG 318 HG2 ARG 318 3.377 4.811 3.740
94 HG3 ARG 318 HG3 ARG 318 2.451 3.386 3.263
95 HD2 ARG 318 HD2 ARG 318 4.364 2.182 2.646
96 HD3 ARG 318 HD3 ARG 318 5.316 3.654 2.365
97 HE ARG 318 HE ARG 318 5.258 4.006 4.863
98 HH11 ARG 318 HH11 ARG 318 7.004 1.661 4.369
99 HH12 ARG 318 HH12 ARG 318 6.341 0.460 5.425
100 HH21 ARG 318 HH21 ARG 318 3.324 2.133 5.860
101 HH22 ARG 318 HH22 ARG 318 4.250 0.728 6.273
102 HA PRO 319 HA PRO 319 -0.223 8.675 1.663
103 HB2 PRO 319 HB2 PRO 319 -1.228 8.967 4.194
104 HB3 PRO 319 HB3 PRO 319 -2.128 8.183 2.881
105 HG2 PRO 319 HG2 PRO 319 -0.595 6.958 5.121
106 HG3 PRO 319 HG3 PRO 319 -2.135 6.460 4.401
107 HD2 PRO 319 HD2 PRO 319 0.235 5.241 3.847
108 HD3 PRO 319 HD3 PRO 319 -1.118 5.312 2.697
109 H ASP 320 H ASP 320 1.474 7.411 4.510
110 HA ASP 320 HA ASP 320 2.909 10.010 4.848
111 HB2 ASP 320 HB2 ASP 320 2.514 7.557 6.598
112 HB3 ASP 320 HB3 ASP 320 3.517 8.931 7.061
113 H TYR 321 H TYR 321 3.622 8.398 2.619
114 HA TYR 321 HA TYR 321 5.550 6.455 2.714
115 HB2 TYR 321 HB2 TYR 321 4.658 7.539 0.692
116 HB3 TYR 321 HB3 TYR 321 5.567 9.002 1.064
117 HD1 TYR 321 HD1 TYR 321 6.220 5.305 0.803
118 HD2 TYR 321 HD2 TYR 321 7.565 9.288 -0.080
119 HE1 TYR 321 HE2 TYR 321 8.202 4.378 -0.363
120 HE2 TYR 321 HE1 TYR 321 9.546 8.361 -1.245
121 HH TYR 321 HH TYR 321 9.877 5.680 -2.457
122 H ASN 322 H ASN 322 7.554 6.228 3.549
123 HA ASN 322 HA ASN 322 8.796 8.256 5.194
124 HB2 ASN 322 HB2 ASN 322 9.855 5.657 4.023
125 HB3 ASN 322 HB3 ASN 322 10.586 6.541 5.362
126 HD21 ASN 322 HD21 ASN 322 8.236 4.152 4.567
127 HD22 ASN 322 HD22 ASN 322 7.502 4.048 6.095
128 HA PRO 323 HA PRO 323 11.234 10.353 2.178
129 HB2 PRO 323 HB2 PRO 323 13.424 11.042 3.671
130 HB3 PRO 323 HB3 PRO 323 11.845 11.833 3.848
131 HG2 PRO 323 HG2 PRO 323 13.098 9.714 5.522
132 HG3 PRO 323 HG3 PRO 323 12.127 11.112 6.010
133 HD2 PRO 323 HD2 PRO 323 11.141 8.578 5.867
134 HD3 PRO 323 HD3 PRO 323 10.145 10.032 5.638
135 HA PRO 324 HA PRO 324 13.823 6.857 0.988
136 HB2 PRO 324 HB2 PRO 324 14.048 7.568 -1.645
137 HB3 PRO 324 HB3 PRO 324 12.623 6.748 -0.982
138 HG2 PRO 324 HG2 PRO 324 13.016 9.615 -1.649
139 HG3 PRO 324 HG3 PRO 324 11.575 8.602 -1.817
140 HD2 PRO 324 HD2 PRO 324 11.961 10.413 0.208
141 HD3 PRO 324 HD3 PRO 324 10.896 8.996 0.321
142 H LEU 325 H LEU 325 15.905 6.972 -0.688
143 HA LEU 325 HA LEU 325 17.480 9.450 -0.314
144 HB2 LEU 325 HB2 LEU 325 17.478 7.594 1.687
145 HB3 LEU 325 HB3 LEU 325 18.810 6.996 0.699
146 HG LEU 325 HG LEU 325 19.116 9.811 0.834
147 HD11 LEU 325 HD11 LEU 325 17.654 9.864 2.778
148 HD12 LEU 325 HD12 LEU 325 19.318 10.098 3.313
149 HD13 LEU 325 HD13 LEU 325 18.537 8.530 3.521
150 HD21 LEU 325 HD21 LEU 325 20.871 8.014 0.681
151 HD22 LEU 325 HD22 LEU 325 20.584 7.654 2.384
152 HD23 LEU 325 HD23 LEU 325 21.217 9.230 1.911
153 H LEU 326 H LEU 326 19.837 8.949 -1.192
154 HA LEU 326 HA LEU 326 21.182 8.319 -3.018
155 HB2 LEU 326 HB2 LEU 326 19.879 6.019 -1.962
156 HB3 LEU 326 HB3 LEU 326 19.851 5.860 -3.717
157 HG LEU 326 HG LEU 326 22.359 6.584 -3.574
158 HD11 LEU 326 HD11 LEU 326 22.402 7.207 -1.228
159 HD12 LEU 326 HD12 LEU 326 23.403 5.771 -1.436
160 HD13 LEU 326 HD13 LEU 326 21.784 5.624 -0.754
161 HD21 LEU 326 HD21 LEU 326 21.663 4.370 -4.313
162 HD22 LEU 326 HD22 LEU 326 21.349 3.876 -2.650
163 HD23 LEU 326 HD23 LEU 326 23.002 4.189 -3.180
164 H GLU 327 H GLU 327 20.072 10.129 -4.183
165 HA GLU 327 HA GLU 327 17.951 9.357 -6.108
166 HB2 GLU 327 HB2 GLU 327 19.353 11.975 -5.466
167 HB3 GLU 327 HB3 GLU 327 17.972 11.814 -6.549
168 HG2 GLU 327 HG2 GLU 327 16.636 12.067 -4.749
169 HG3 GLU 327 HG3 GLU 327 17.196 10.489 -4.197
Start of MODEL 26
1 HA LYS 308 HA LYS 308 5.691 -11.977 -1.312
2 HB2 LYS 308 HB2 LYS 308 4.208 -13.251 -3.573
3 HB3 LYS 308 HB3 LYS 308 3.722 -11.618 -3.119
4 HG2 LYS 308 HG2 LYS 308 5.811 -10.705 -3.639
5 HG3 LYS 308 HG3 LYS 308 6.640 -12.252 -3.473
6 HD2 LYS 308 HD2 LYS 308 6.567 -12.211 -5.761
7 HD3 LYS 308 HD3 LYS 308 4.951 -12.864 -5.497
8 HE2 LYS 308 HE2 LYS 308 4.285 -11.078 -6.774
9 HE3 LYS 308 HE3 LYS 308 4.484 -10.159 -5.270
10 HZ1 LYS 308 HZ1 LYS 308 6.523 -10.582 -7.394
11 HZ2 LYS 308 HZ2 LYS 308 6.869 -9.900 -5.875
12 HZ3 LYS 308 HZ3 LYS 308 5.807 -9.111 -6.942
13 H PHE 309 H PHE 309 4.740 -11.538 0.677
14 HA PHE 309 HA PHE 309 1.772 -11.931 0.881
15 HB2 PHE 309 HB2 PHE 309 3.946 -12.452 2.935
16 HB3 PHE 309 HB3 PHE 309 2.222 -12.490 3.298
17 HD1 PHE 309 HD1 PHE 309 0.742 -14.076 1.877
18 HD2 PHE 309 HD2 PHE 309 5.024 -14.364 2.085
19 HE1 PHE 309 HE2 PHE 309 0.625 -16.416 1.063
20 HE2 PHE 309 HE1 PHE 309 4.906 -16.704 1.271
21 HZ PHE 309 HZ PHE 309 2.706 -17.730 0.760
22 HA PRO 310 HA PRO 310 2.733 -7.534 1.700
23 HB2 PRO 310 HB2 PRO 310 0.378 -6.576 0.689
24 HB3 PRO 310 HB3 PRO 310 1.788 -6.941 -0.326
25 HG2 PRO 310 HG2 PRO 310 -0.687 -8.525 0.117
26 HG3 PRO 310 HG3 PRO 310 0.272 -8.314 -1.355
27 HD2 PRO 310 HD2 PRO 310 0.375 -10.541 0.240
28 HD3 PRO 310 HD3 PRO 310 1.698 -10.011 -0.821
29 H ARG 311 H ARG 311 2.166 -6.492 3.601
30 HA ARG 311 HA ARG 311 -0.290 -7.456 5.037
31 HB2 ARG 311 HB2 ARG 311 2.077 -8.026 5.877
32 HB3 ARG 311 HB3 ARG 311 2.235 -6.310 6.252
33 HG2 ARG 311 HG2 ARG 311 0.505 -6.378 7.860
34 HG3 ARG 311 HG3 ARG 311 -0.126 -7.905 7.243
35 HD2 ARG 311 HD2 ARG 311 1.121 -8.247 9.367
36 HD3 ARG 311 HD3 ARG 311 1.943 -9.057 8.018
37 HE ARG 311 HE ARG 311 2.743 -6.299 8.874
38 HH11 ARG 311 HH11 ARG 311 4.185 -8.307 10.434
39 HH12 ARG 311 HH12 ARG 311 5.562 -8.676 9.451
40 HH21 ARG 311 HH21 ARG 311 4.192 -7.319 6.559
41 HH22 ARG 311 HH22 ARG 311 5.567 -8.113 7.250
42 H ALA 312 H ALA 312 -0.847 -5.459 3.342
43 HA ALA 312 HA ALA 312 -1.798 -3.309 3.237
44 HB1 ALA 312 HB1 ALA 312 -1.231 -3.108 6.198
45 HB2 ALA 312 HB2 ALA 312 -2.504 -4.161 5.580
46 HB3 ALA 312 HB3 ALA 312 -2.580 -2.423 5.292
47 H MET 313 H MET 313 -1.187 -0.969 3.502
48 HA MET 313 HA MET 313 0.411 0.737 3.167
49 HB2 MET 313 HB2 MET 313 1.559 -0.872 5.470
50 HB3 MET 313 HB3 MET 313 2.147 0.723 5.008
51 HG2 MET 313 HG2 MET 313 0.141 1.782 5.622
52 HG3 MET 313 HG3 MET 313 -0.784 0.283 5.547
53 HE1 MET 313 HE1 MET 313 0.149 -1.686 8.630
54 HE2 MET 313 HE2 MET 313 0.474 -1.846 6.906
55 HE3 MET 313 HE3 MET 313 -1.125 -1.344 7.452
56 HA PRO 314 HA PRO 314 3.273 -2.205 0.899
57 HB2 PRO 314 HB2 PRO 314 2.491 -1.556 -1.642
58 HB3 PRO 314 HB3 PRO 314 1.732 -2.849 -0.695
59 HG2 PRO 314 HG2 PRO 314 0.785 -0.084 -1.222
60 HG3 PRO 314 HG3 PRO 314 -0.138 -1.587 -1.093
61 HD2 PRO 314 HD2 PRO 314 0.032 0.291 0.898
62 HD3 PRO 314 HD3 PRO 314 -0.315 -1.430 1.174
63 H ILE 315 H ILE 315 4.612 -1.326 -1.252
64 HA ILE 315 HA ILE 315 5.827 1.215 -0.337
65 HB ILE 315 HB ILE 315 6.654 -0.496 -2.691
66 HG12 ILE 315 HG12 ILE 315 6.349 -2.022 -0.784
67 HG13 ILE 315 HG13 ILE 315 8.065 -1.791 -1.103
68 HG21 ILE 315 HG21 ILE 315 7.860 1.587 -2.477
69 HG22 ILE 315 HG22 ILE 315 8.925 0.296 -1.925
70 HG23 ILE 315 HG23 ILE 315 8.107 1.324 -0.750
71 HD11 ILE 315 HD11 ILE 315 7.652 -1.640 1.303
72 HD12 ILE 315 HD12 ILE 315 6.437 -0.389 1.040
73 HD13 ILE 315 HD13 ILE 315 8.134 -0.059 0.689
74 H TRP 316 H TRP 316 3.456 0.285 -2.582
75 HA TRP 316 HA TRP 316 3.967 2.660 -4.323
76 HB2 TRP 316 HB2 TRP 316 2.565 1.463 -5.946
77 HB3 TRP 316 HB3 TRP 316 3.836 0.392 -5.360
78 HD1 TRP 316 HD1 TRP 316 3.141 -1.703 -3.961
79 HE1 TRP 316 HE1 TRP 316 0.861 -2.771 -3.385
80 HE3 TRP 316 HE3 TRP 316 0.009 2.049 -5.437
81 HZ2 TRP 316 HZ2 TRP 316 -1.923 -2.113 -3.531
82 HZ3 TRP 316 HZ3 TRP 316 -2.445 1.807 -5.207
83 HH2 TRP 316 HH2 TRP 316 -3.412 -0.264 -4.256
84 H ALA 317 H ALA 317 2.029 1.626 -1.733
85 HA ALA 317 HA ALA 317 0.106 3.861 -2.205
86 HB1 ALA 317 HB1 ALA 317 -1.357 1.788 -1.007
87 HB2 ALA 317 HB2 ALA 317 -0.387 0.987 -2.241
88 HB3 ALA 317 HB3 ALA 317 -1.469 2.305 -2.688
89 H ARG 318 H ARG 318 1.738 4.733 -0.528
90 HA ARG 318 HA ARG 318 0.902 3.871 2.215
91 HB2 ARG 318 HB2 ARG 318 3.269 4.261 2.894
92 HB3 ARG 318 HB3 ARG 318 3.124 2.994 1.680
93 HG2 ARG 318 HG2 ARG 318 3.469 5.692 0.548
94 HG3 ARG 318 HG3 ARG 318 4.837 5.141 1.511
95 HD2 ARG 318 HD2 ARG 318 5.504 3.821 -0.200
96 HD3 ARG 318 HD3 ARG 318 3.956 2.958 -0.141
97 HE ARG 318 HE ARG 318 3.328 4.196 -2.043
98 HH11 ARG 318 HH11 ARG 318 6.209 5.074 -2.439
99 HH12 ARG 318 HH12 ARG 318 6.036 6.795 -2.506
100 HH21 ARG 318 HH21 ARG 318 2.825 6.791 -1.175
101 HH22 ARG 318 HH22 ARG 318 4.114 7.773 -1.786
102 HA PRO 319 HA PRO 319 0.048 8.219 2.538
103 HB2 PRO 319 HB2 PRO 319 -0.734 8.200 5.157
104 HB3 PRO 319 HB3 PRO 319 -1.769 7.621 3.838
105 HG2 PRO 319 HG2 PRO 319 -0.173 6.082 5.807
106 HG3 PRO 319 HG3 PRO 319 -1.732 5.696 5.066
107 HD2 PRO 319 HD2 PRO 319 0.687 4.601 4.317
108 HD3 PRO 319 HD3 PRO 319 -0.764 4.660 3.293
109 H ASP 320 H ASP 320 1.986 6.481 4.934
110 HA ASP 320 HA ASP 320 3.431 8.971 5.698
111 HB2 ASP 320 HB2 ASP 320 4.210 7.593 7.569
112 HB3 ASP 320 HB3 ASP 320 2.466 7.409 7.404
113 H TYR 321 H TYR 321 3.917 7.915 3.045
114 HA TYR 321 HA TYR 321 6.049 6.173 2.643
115 HB2 TYR 321 HB2 TYR 321 4.773 7.237 0.859
116 HB3 TYR 321 HB3 TYR 321 5.395 8.821 1.315
117 HD1 TYR 321 HD1 TYR 321 7.094 5.493 0.917
118 HD2 TYR 321 HD2 TYR 321 6.804 9.576 -0.389
119 HE1 TYR 321 HE2 TYR 321 9.056 5.161 -0.562
120 HE2 TYR 321 HE1 TYR 321 8.766 9.242 -1.867
121 HH TYR 321 HH TYR 321 10.922 7.077 -1.595
122 H ASN 322 H ASN 322 8.097 6.144 3.393
123 HA ASN 322 HA ASN 322 9.294 8.198 4.990
124 HB2 ASN 322 HB2 ASN 322 10.500 5.884 3.426
125 HB3 ASN 322 HB3 ASN 322 11.327 6.772 4.706
126 HD21 ASN 322 HD21 ASN 322 9.163 4.151 4.078
127 HD22 ASN 322 HD22 ASN 322 8.729 3.839 5.690
128 HA PRO 323 HA PRO 323 10.836 10.916 1.869
129 HB2 PRO 323 HB2 PRO 323 12.914 12.056 3.239
130 HB3 PRO 323 HB3 PRO 323 11.213 12.450 3.557
131 HG2 PRO 323 HG2 PRO 323 13.047 10.645 5.050
132 HG3 PRO 323 HG3 PRO 323 11.812 11.757 5.661
133 HD2 PRO 323 HD2 PRO 323 11.449 9.062 5.468
134 HD3 PRO 323 HD3 PRO 323 10.122 10.241 5.380
135 HA PRO 324 HA PRO 324 14.067 8.172 0.332
136 HB2 PRO 324 HB2 PRO 324 13.895 8.990 -2.273
137 HB3 PRO 324 HB3 PRO 324 12.763 7.836 -1.545
138 HG2 PRO 324 HG2 PRO 324 12.418 10.732 -2.105
139 HG3 PRO 324 HG3 PRO 324 11.243 9.413 -2.211
140 HD2 PRO 324 HD2 PRO 324 11.370 11.210 -0.138
141 HD3 PRO 324 HD3 PRO 324 10.671 9.581 -0.012
142 H LEU 325 H LEU 325 15.906 8.822 -1.488
143 HA LEU 325 HA LEU 325 17.871 10.069 -1.868
144 HB2 LEU 325 HB2 LEU 325 15.865 11.628 -2.513
145 HB3 LEU 325 HB3 LEU 325 16.285 12.497 -1.036
146 HG LEU 325 HG LEU 325 18.740 12.334 -2.060
147 HD11 LEU 325 HD11 LEU 325 16.895 12.183 -4.463
148 HD12 LEU 325 HD12 LEU 325 18.140 11.017 -4.014
149 HD13 LEU 325 HD13 LEU 325 18.598 12.635 -4.546
150 HD21 LEU 325 HD21 LEU 325 18.303 14.554 -3.158
151 HD22 LEU 325 HD22 LEU 325 17.637 14.435 -1.529
152 HD23 LEU 325 HD23 LEU 325 16.575 14.276 -2.929
153 H LEU 326 H LEU 326 18.753 9.035 0.114
154 HA LEU 326 HA LEU 326 19.988 9.155 2.106
155 HB2 LEU 326 HB2 LEU 326 19.612 12.074 1.415
156 HB3 LEU 326 HB3 LEU 326 20.547 11.563 2.816
157 HG LEU 326 HG LEU 326 21.178 10.196 0.253
158 HD11 LEU 326 HD11 LEU 326 22.217 12.987 0.776
159 HD12 LEU 326 HD12 LEU 326 20.834 12.681 -0.276
160 HD13 LEU 326 HD13 LEU 326 22.415 12.008 -0.677
161 HD21 LEU 326 HD21 LEU 326 23.418 10.273 1.158
162 HD22 LEU 326 HD22 LEU 326 22.332 9.825 2.475
163 HD23 LEU 326 HD23 LEU 326 22.946 11.475 2.359
164 H GLU 327 H GLU 327 17.976 12.018 2.743
165 HA GLU 327 HA GLU 327 16.400 10.461 4.744
166 HB2 GLU 327 HB2 GLU 327 16.937 12.193 6.444
167 HB3 GLU 327 HB3 GLU 327 18.387 11.368 5.875
168 HG2 GLU 327 HG2 GLU 327 19.244 13.266 4.976
169 HG3 GLU 327 HG3 GLU 327 17.698 13.726 4.265
Start of MODEL 27
1 HA LYS 308 HA LYS 308 7.278 -9.744 1.575
2 HB2 LYS 308 HB2 LYS 308 4.522 -9.037 2.600
3 HB3 LYS 308 HB3 LYS 308 5.061 -8.518 1.001
4 HG2 LYS 308 HG2 LYS 308 5.783 -11.206 1.090
5 HG3 LYS 308 HG3 LYS 308 4.217 -11.170 1.901
6 HD2 LYS 308 HD2 LYS 308 4.347 -9.518 -0.537
7 HD3 LYS 308 HD3 LYS 308 4.562 -11.244 -0.825
8 HE2 LYS 308 HE2 LYS 308 2.334 -11.563 -0.576
9 HE3 LYS 308 HE3 LYS 308 2.419 -10.900 1.068
10 HZ1 LYS 308 HZ1 LYS 308 2.220 -9.328 -1.451
11 HZ2 LYS 308 HZ2 LYS 308 2.405 -8.660 0.102
12 HZ3 LYS 308 HZ3 LYS 308 0.994 -9.520 -0.296
13 H PHE 309 H PHE 309 5.738 -7.405 3.845
14 HA PHE 309 HA PHE 309 7.854 -5.427 3.077
15 HB2 PHE 309 HB2 PHE 309 5.429 -5.248 2.061
16 HB3 PHE 309 HB3 PHE 309 5.010 -4.628 3.657
17 HD1 PHE 309 HD1 PHE 309 6.072 -2.559 4.525
18 HD2 PHE 309 HD2 PHE 309 6.809 -3.975 0.539
19 HE1 PHE 309 HE1 PHE 309 7.006 -0.346 3.913
20 HE2 PHE 309 HE2 PHE 309 7.743 -1.762 -0.073
21 HZ PHE 309 HZ PHE 309 7.841 0.054 1.612
22 HA PRO 310 HA PRO 310 8.202 -5.323 7.514
23 HB2 PRO 310 HB2 PRO 310 10.022 -3.283 7.652
24 HB3 PRO 310 HB3 PRO 310 10.459 -4.943 7.197
25 HG2 PRO 310 HG2 PRO 310 10.007 -2.564 5.466
26 HG3 PRO 310 HG3 PRO 310 11.215 -3.850 5.325
27 HD2 PRO 310 HD2 PRO 310 8.955 -3.742 3.811
28 HD3 PRO 310 HD3 PRO 310 9.780 -5.259 4.234
29 H ARG 311 H ARG 311 7.427 -3.965 9.210
30 HA ARG 311 HA ARG 311 6.121 -2.272 10.195
31 HB2 ARG 311 HB2 ARG 311 7.993 -1.088 8.385
32 HB3 ARG 311 HB3 ARG 311 6.484 -0.182 8.268
33 HG2 ARG 311 HG2 ARG 311 7.057 -0.809 11.036
34 HG3 ARG 311 HG3 ARG 311 8.432 0.014 10.302
35 HD2 ARG 311 HD2 ARG 311 6.932 1.714 11.191
36 HD3 ARG 311 HD3 ARG 311 6.794 1.754 9.422
37 HE ARG 311 HE ARG 311 4.658 0.636 9.591
38 HH11 ARG 311 HH11 ARG 311 4.313 2.670 11.777
39 HH12 ARG 311 HH12 ARG 311 3.754 1.695 13.094
40 HH21 ARG 311 HH21 ARG 311 4.760 -1.300 11.643
41 HH22 ARG 311 HH22 ARG 311 4.006 -0.563 13.017
42 H ALA 312 H ALA 312 5.063 -3.983 7.800
43 HA ALA 312 HA ALA 312 3.018 -4.202 6.661
44 HB1 ALA 312 HB1 ALA 312 2.509 -3.272 9.124
45 HB2 ALA 312 HB2 ALA 312 1.226 -3.504 7.937
46 HB3 ALA 312 HB3 ALA 312 1.904 -1.898 8.198
47 H MET 313 H MET 313 1.185 -2.597 5.629
48 HA MET 313 HA MET 313 0.676 -0.981 3.999
49 HB2 MET 313 HB2 MET 313 2.712 0.181 5.742
50 HB3 MET 313 HB3 MET 313 2.805 0.829 4.106
51 HG2 MET 313 HG2 MET 313 1.011 2.118 4.525
52 HG3 MET 313 HG3 MET 313 0.046 0.669 4.808
53 HE1 MET 313 HE1 MET 313 1.664 3.684 5.996
54 HE2 MET 313 HE2 MET 313 1.089 3.849 7.653
55 HE3 MET 313 HE3 MET 313 -0.071 3.740 6.332
56 HA PRO 314 HA PRO 314 3.099 -2.464 0.616
57 HB2 PRO 314 HB2 PRO 314 1.954 -0.995 -1.389
58 HB3 PRO 314 HB3 PRO 314 1.162 -2.391 -0.636
59 HG2 PRO 314 HG2 PRO 314 0.693 0.504 -0.215
60 HG3 PRO 314 HG3 PRO 314 -0.454 -0.841 -0.188
61 HD2 PRO 314 HD2 PRO 314 0.570 0.403 2.049
62 HD3 PRO 314 HD3 PRO 314 -0.117 -1.236 2.025
63 H ILE 315 H ILE 315 4.096 -1.176 -1.520
64 HA ILE 315 HA ILE 315 5.883 0.881 -0.322
65 HB ILE 315 HB ILE 315 6.485 -1.352 -1.599
66 HG12 ILE 315 HG12 ILE 315 8.134 0.276 -0.760
67 HG13 ILE 315 HG13 ILE 315 8.600 -0.345 -2.342
68 HG21 ILE 315 HG21 ILE 315 6.870 -1.017 -3.997
69 HG22 ILE 315 HG22 ILE 315 6.162 0.594 -3.901
70 HG23 ILE 315 HG23 ILE 315 5.159 -0.828 -3.616
71 HD11 ILE 315 HD11 ILE 315 7.307 1.753 -3.248
72 HD12 ILE 315 HD12 ILE 315 8.941 1.949 -2.615
73 HD13 ILE 315 HD13 ILE 315 7.552 2.375 -1.616
74 H TRP 316 H TRP 316 3.644 0.426 -3.020
75 HA TRP 316 HA TRP 316 4.092 3.183 -3.987
76 HB2 TRP 316 HB2 TRP 316 2.617 2.453 -5.833
77 HB3 TRP 316 HB3 TRP 316 3.921 1.301 -5.571
78 HD1 TRP 316 HD1 TRP 316 3.304 -1.061 -4.522
79 HE1 TRP 316 HE1 TRP 316 1.064 -2.326 -4.316
80 HE3 TRP 316 HE3 TRP 316 0.041 2.749 -5.490
81 HZ2 TRP 316 HZ2 TRP 316 -1.738 -1.793 -4.541
82 HZ3 TRP 316 HZ3 TRP 316 -2.403 2.343 -5.491
83 HH2 TRP 316 HH2 TRP 316 -3.296 0.079 -5.018
84 H ALA 317 H ALA 317 1.598 1.310 -2.314
85 HA ALA 317 HA ALA 317 -0.191 3.702 -2.267
86 HB1 ALA 317 HB1 ALA 317 -0.447 0.764 -2.111
87 HB2 ALA 317 HB2 ALA 317 -1.608 1.958 -2.690
88 HB3 ALA 317 HB3 ALA 317 -1.471 1.628 -0.964
89 H ARG 318 H ARG 318 1.711 4.552 -0.799
90 HA ARG 318 HA ARG 318 1.061 3.871 2.045
91 HB2 ARG 318 HB2 ARG 318 3.362 3.227 0.682
92 HB3 ARG 318 HB3 ARG 318 3.800 4.771 1.414
93 HG2 ARG 318 HG2 ARG 318 3.284 3.963 3.619
94 HG3 ARG 318 HG3 ARG 318 2.557 2.493 2.970
95 HD2 ARG 318 HD2 ARG 318 4.575 1.479 3.011
96 HD3 ARG 318 HD3 ARG 318 5.220 2.717 1.917
97 HE ARG 318 HE ARG 318 5.467 4.140 4.065
98 HH11 ARG 318 HH11 ARG 318 7.732 2.275 3.754
99 HH12 ARG 318 HH12 ARG 318 7.745 1.419 5.261
100 HH21 ARG 318 HH21 ARG 318 4.500 2.335 6.108
101 HH22 ARG 318 HH22 ARG 318 5.911 1.460 6.600
102 HA PRO 319 HA PRO 319 0.489 8.266 2.322
103 HB2 PRO 319 HB2 PRO 319 0.635 8.499 5.050
104 HB3 PRO 319 HB3 PRO 319 -0.797 7.876 4.207
105 HG2 PRO 319 HG2 PRO 319 1.386 6.387 5.584
106 HG3 PRO 319 HG3 PRO 319 -0.358 6.077 5.572
107 HD2 PRO 319 HD2 PRO 319 1.391 4.668 4.060
108 HD3 PRO 319 HD3 PRO 319 -0.285 4.978 3.558
109 H ASP 320 H ASP 320 3.102 6.621 4.027
110 HA ASP 320 HA ASP 320 4.787 9.085 3.971
111 HB2 ASP 320 HB2 ASP 320 4.389 6.822 5.730
112 HB3 ASP 320 HB3 ASP 320 6.082 6.902 5.247
113 H TYR 321 H TYR 321 4.248 7.778 1.478
114 HA TYR 321 HA TYR 321 6.051 5.825 0.575
115 HB2 TYR 321 HB2 TYR 321 4.144 6.685 -0.691
116 HB3 TYR 321 HB3 TYR 321 4.891 8.277 -0.792
117 HD1 TYR 321 HD1 TYR 321 6.410 4.878 -1.245
118 HD2 TYR 321 HD2 TYR 321 5.352 8.621 -3.067
119 HE1 TYR 321 HE2 TYR 321 7.587 4.202 -3.319
120 HE2 TYR 321 HE1 TYR 321 6.527 7.943 -5.140
121 HH TYR 321 HH TYR 321 8.732 5.744 -5.366
122 H ASN 322 H ASN 322 8.159 5.871 -0.157
123 HA ASN 322 HA ASN 322 9.922 8.000 0.775
124 HB2 ASN 322 HB2 ASN 322 10.570 5.708 -1.105
125 HB3 ASN 322 HB3 ASN 322 11.657 6.514 0.024
126 HD21 ASN 322 HD21 ASN 322 9.530 3.840 -0.337
127 HD22 ASN 322 HD22 ASN 322 9.463 3.380 1.296
128 HA PRO 323 HA PRO 323 9.975 10.400 -2.931
129 HB2 PRO 323 HB2 PRO 323 12.478 11.497 -2.776
130 HB3 PRO 323 HB3 PRO 323 11.132 12.009 -1.738
131 HG2 PRO 323 HG2 PRO 323 13.421 10.216 -1.122
132 HG3 PRO 323 HG3 PRO 323 12.612 11.409 -0.096
133 HD2 PRO 323 HD2 PRO 323 12.187 8.707 0.065
134 HD3 PRO 323 HD3 PRO 323 11.006 9.934 0.571
135 HA PRO 324 HA PRO 324 12.078 7.335 -5.504
136 HB2 PRO 324 HB2 PRO 324 10.693 7.908 -7.793
137 HB3 PRO 324 HB3 PRO 324 10.047 6.880 -6.501
138 HG2 PRO 324 HG2 PRO 324 9.460 9.722 -7.131
139 HG3 PRO 324 HG3 PRO 324 8.382 8.452 -6.534
140 HD2 PRO 324 HD2 PRO 324 9.457 10.427 -4.961
141 HD3 PRO 324 HD3 PRO 324 8.920 8.844 -4.355
142 H LEU 325 H LEU 325 12.924 7.668 -7.964
143 HA LEU 325 HA LEU 325 14.632 10.102 -7.881
144 HB2 LEU 325 HB2 LEU 325 15.996 8.865 -9.458
145 HB3 LEU 325 HB3 LEU 325 15.506 7.744 -8.190
146 HG LEU 325 HG LEU 325 13.476 7.715 -10.204
147 HD11 LEU 325 HD11 LEU 325 14.639 7.184 -12.200
148 HD12 LEU 325 HD12 LEU 325 16.183 7.033 -11.359
149 HD13 LEU 325 HD13 LEU 325 15.456 8.624 -11.590
150 HD21 LEU 325 HD21 LEU 325 15.617 5.721 -9.396
151 HD22 LEU 325 HD22 LEU 325 14.207 5.332 -10.378
152 HD23 LEU 325 HD23 LEU 325 13.999 5.856 -8.708
153 H LEU 326 H LEU 326 15.147 10.610 -10.509
154 HA LEU 326 HA LEU 326 12.749 11.985 -11.420
155 HB2 LEU 326 HB2 LEU 326 15.580 11.580 -12.374
156 HB3 LEU 326 HB3 LEU 326 14.402 12.357 -13.432
157 HG LEU 326 HG LEU 326 14.739 13.289 -10.587
158 HD11 LEU 326 HD11 LEU 326 16.374 14.949 -11.390
159 HD12 LEU 326 HD12 LEU 326 16.344 14.211 -12.990
160 HD13 LEU 326 HD13 LEU 326 16.985 13.310 -11.617
161 HD21 LEU 326 HD21 LEU 326 13.837 14.578 -13.184
162 HD22 LEU 326 HD22 LEU 326 13.978 15.431 -11.647
163 HD23 LEU 326 HD23 LEU 326 12.808 14.124 -11.824
164 H GLU 327 H GLU 327 11.139 10.514 -12.035
165 HA GLU 327 HA GLU 327 10.006 8.981 -13.420
166 HB2 GLU 327 HB2 GLU 327 11.717 10.548 -14.971
167 HB3 GLU 327 HB3 GLU 327 12.076 8.904 -15.496
168 HG2 GLU 327 HG2 GLU 327 10.049 8.652 -16.489
169 HG3 GLU 327 HG3 GLU 327 9.199 9.443 -15.161
Start of MODEL 28
1 HA LYS 308 HA LYS 308 -2.828 -14.459 8.804
2 HB2 LYS 308 HB2 LYS 308 -1.183 -16.358 7.865
3 HB3 LYS 308 HB3 LYS 308 -0.772 -15.081 6.719
4 HG2 LYS 308 HG2 LYS 308 0.675 -14.407 8.344
5 HG3 LYS 308 HG3 LYS 308 -0.762 -13.687 9.070
6 HD2 LYS 308 HD2 LYS 308 -0.103 -14.942 10.874
7 HD3 LYS 308 HD3 LYS 308 -1.006 -16.199 10.028
8 HE2 LYS 308 HE2 LYS 308 1.198 -16.783 8.839
9 HE3 LYS 308 HE3 LYS 308 1.993 -15.762 10.054
10 HZ1 LYS 308 HZ1 LYS 308 1.879 -18.009 10.877
11 HZ2 LYS 308 HZ2 LYS 308 0.207 -18.083 10.586
12 HZ3 LYS 308 HZ3 LYS 308 0.819 -17.045 11.784
13 H PHE 309 H PHE 309 -3.042 -12.291 8.352
14 HA PHE 309 HA PHE 309 -2.833 -11.375 5.515
15 HB2 PHE 309 HB2 PHE 309 -5.216 -11.913 6.341
16 HB3 PHE 309 HB3 PHE 309 -5.039 -10.515 7.401
17 HD1 PHE 309 HD1 PHE 309 -4.965 -11.599 3.835
18 HD2 PHE 309 HD2 PHE 309 -5.255 -8.298 6.569
19 HE1 PHE 309 HE1 PHE 309 -5.546 -10.092 1.955
20 HE2 PHE 309 HE2 PHE 309 -5.835 -6.791 4.689
21 HZ PHE 309 HZ PHE 309 -5.982 -7.687 2.380
22 HA PRO 310 HA PRO 310 -0.464 -8.296 7.703
23 HB2 PRO 310 HB2 PRO 310 0.177 -6.768 5.525
24 HB3 PRO 310 HB3 PRO 310 0.973 -8.312 5.891
25 HG2 PRO 310 HG2 PRO 310 -1.152 -7.702 3.907
26 HG3 PRO 310 HG3 PRO 310 0.210 -8.828 3.798
27 HD2 PRO 310 HD2 PRO 310 -2.382 -9.572 4.325
28 HD3 PRO 310 HD3 PRO 310 -0.951 -10.519 4.785
29 H ARG 311 H ARG 311 -0.470 -5.720 7.606
30 HA ARG 311 HA ARG 311 -3.330 -4.872 7.670
31 HB2 ARG 311 HB2 ARG 311 -0.733 -3.949 8.897
32 HB3 ARG 311 HB3 ARG 311 -2.137 -2.883 8.880
33 HG2 ARG 311 HG2 ARG 311 -3.454 -4.797 9.922
34 HG3 ARG 311 HG3 ARG 311 -1.909 -5.614 10.162
35 HD2 ARG 311 HD2 ARG 311 -1.127 -3.488 11.368
36 HD3 ARG 311 HD3 ARG 311 -2.832 -2.997 11.376
37 HE ARG 311 HE ARG 311 -1.884 -5.583 12.561
38 HH11 ARG 311 HH11 ARG 311 -2.255 -3.294 14.437
39 HH12 ARG 311 HH12 ARG 311 -3.887 -3.512 14.973
40 HH21 ARG 311 HH21 ARG 311 -4.726 -5.672 12.380
41 HH22 ARG 311 HH22 ARG 311 -5.292 -4.865 13.802
42 H ALA 312 H ALA 312 -2.139 -5.137 5.075
43 HA ALA 312 HA ALA 312 -1.784 -3.947 3.074
44 HB1 ALA 312 HB1 ALA 312 -4.064 -3.261 3.699
45 HB2 ALA 312 HB2 ALA 312 -3.214 -1.920 2.931
46 HB3 ALA 312 HB3 ALA 312 -3.411 -1.950 4.682
47 H MET 313 H MET 313 0.587 -3.783 3.751
48 HA MET 313 HA MET 313 1.327 -0.909 4.198
49 HB2 MET 313 HB2 MET 313 3.297 -1.834 5.449
50 HB3 MET 313 HB3 MET 313 1.752 -2.234 6.196
51 HG2 MET 313 HG2 MET 313 1.890 -4.475 5.601
52 HG3 MET 313 HG3 MET 313 2.916 -4.151 4.204
53 HE1 MET 313 HE1 MET 313 5.019 -5.024 4.123
54 HE2 MET 313 HE2 MET 313 6.332 -4.680 5.245
55 HE3 MET 313 HE3 MET 313 5.503 -3.352 4.438
56 HA PRO 314 HA PRO 314 3.375 -2.730 0.370
57 HB2 PRO 314 HB2 PRO 314 2.069 -1.272 -1.540
58 HB3 PRO 314 HB3 PRO 314 1.500 -2.852 -0.971
59 HG2 PRO 314 HG2 PRO 314 0.522 -0.134 -0.300
60 HG3 PRO 314 HG3 PRO 314 -0.374 -1.652 -0.462
61 HD2 PRO 314 HD2 PRO 314 0.341 -0.490 1.939
62 HD3 PRO 314 HD3 PRO 314 -0.057 -2.207 1.716
63 H ILE 315 H ILE 315 4.297 -1.133 -1.528
64 HA ILE 315 HA ILE 315 5.507 1.180 -0.073
65 HB ILE 315 HB ILE 315 6.361 -0.097 -2.685
66 HG12 ILE 315 HG12 ILE 315 6.288 -1.855 -0.971
67 HG13 ILE 315 HG13 ILE 315 7.962 -1.427 -1.313
68 HG21 ILE 315 HG21 ILE 315 7.296 2.145 -2.071
69 HG22 ILE 315 HG22 ILE 315 8.525 0.883 -2.155
70 HG23 ILE 315 HG23 ILE 315 7.931 1.433 -0.587
71 HD11 ILE 315 HD11 ILE 315 8.098 -0.073 0.684
72 HD12 ILE 315 HD12 ILE 315 7.434 -1.640 1.146
73 HD13 ILE 315 HD13 ILE 315 6.368 -0.247 0.979
74 H TRP 316 H TRP 316 3.939 0.317 -3.130
75 HA TRP 316 HA TRP 316 3.987 2.959 -4.281
76 HB2 TRP 316 HB2 TRP 316 2.455 1.955 -5.914
77 HB3 TRP 316 HB3 TRP 316 3.742 0.817 -5.529
78 HD1 TRP 316 HD1 TRP 316 3.111 -1.335 -4.093
79 HE1 TRP 316 HE1 TRP 316 0.851 -2.471 -3.589
80 HE3 TRP 316 HE3 TRP 316 -0.087 2.393 -5.495
81 HZ2 TRP 316 HZ2 TRP 316 -1.941 -1.879 -3.758
82 HZ3 TRP 316 HZ3 TRP 316 -2.539 2.080 -5.315
83 HH2 TRP 316 HH2 TRP 316 -3.469 -0.049 -4.448
84 H ALA 317 H ALA 317 1.814 1.376 -2.028
85 HA ALA 317 HA ALA 317 -0.067 3.707 -2.194
86 HB1 ALA 317 HB1 ALA 317 -1.531 1.982 -2.391
87 HB2 ALA 317 HB2 ALA 317 -1.240 1.683 -0.678
88 HB3 ALA 317 HB3 ALA 317 -0.318 0.801 -1.896
89 H ARG 318 H ARG 318 1.668 4.843 -0.830
90 HA ARG 318 HA ARG 318 1.310 4.142 2.068
91 HB2 ARG 318 HB2 ARG 318 3.751 5.048 0.516
92 HB3 ARG 318 HB3 ARG 318 3.691 4.995 2.277
93 HG2 ARG 318 HG2 ARG 318 2.796 2.510 1.753
94 HG3 ARG 318 HG3 ARG 318 3.787 2.757 0.317
95 HD2 ARG 318 HD2 ARG 318 5.520 2.084 1.644
96 HD3 ARG 318 HD3 ARG 318 5.424 3.713 2.339
97 HE ARG 318 HE ARG 318 4.664 1.314 3.709
98 HH11 ARG 318 HH11 ARG 318 5.076 4.228 4.738
99 HH12 ARG 318 HH12 ARG 318 3.527 4.517 5.459
100 HH21 ARG 318 HH21 ARG 318 2.008 1.806 3.900
101 HH22 ARG 318 HH22 ARG 318 1.787 3.130 4.993
102 HA PRO 319 HA PRO 319 -0.109 8.436 1.825
103 HB2 PRO 319 HB2 PRO 319 -1.362 8.420 4.260
104 HB3 PRO 319 HB3 PRO 319 -2.113 7.776 2.785
105 HG2 PRO 319 HG2 PRO 319 -0.796 6.332 5.025
106 HG3 PRO 319 HG3 PRO 319 -2.223 5.886 4.077
107 HD2 PRO 319 HD2 PRO 319 0.259 4.806 3.684
108 HD3 PRO 319 HD3 PRO 319 -0.980 4.926 2.416
109 H ASP 320 H ASP 320 1.391 6.812 4.579
110 HA ASP 320 HA ASP 320 2.755 9.349 5.392
111 HB2 ASP 320 HB2 ASP 320 1.983 6.770 6.772
112 HB3 ASP 320 HB3 ASP 320 3.159 7.869 7.491
113 H TYR 321 H TYR 321 3.690 7.917 3.088
114 HA TYR 321 HA TYR 321 5.582 5.940 3.232
115 HB2 TYR 321 HB2 TYR 321 4.936 7.232 1.224
116 HB3 TYR 321 HB3 TYR 321 5.857 8.613 1.821
117 HD1 TYR 321 HD1 TYR 321 6.341 4.931 1.240
118 HD2 TYR 321 HD2 TYR 321 8.027 8.875 1.018
119 HE1 TYR 321 HE2 TYR 321 8.404 3.991 0.242
120 HE2 TYR 321 HE1 TYR 321 10.092 7.934 0.018
121 HH TYR 321 HH TYR 321 10.319 5.085 -1.385
122 H ASN 322 H ASN 322 7.271 5.592 4.559
123 HA ASN 322 HA ASN 322 8.439 7.662 6.233
124 HB2 ASN 322 HB2 ASN 322 9.524 5.835 7.245
125 HB3 ASN 322 HB3 ASN 322 8.075 5.086 6.582
126 HD21 ASN 322 HD21 ASN 322 8.342 3.814 4.530
127 HD22 ASN 322 HD22 ASN 322 9.872 3.221 4.103
128 HA PRO 323 HA PRO 323 11.775 8.937 3.658
129 HB2 PRO 323 HB2 PRO 323 13.794 9.294 5.473
130 HB3 PRO 323 HB3 PRO 323 12.406 10.394 5.340
131 HG2 PRO 323 HG2 PRO 323 12.914 8.215 7.302
132 HG3 PRO 323 HG3 PRO 323 12.179 9.808 7.547
133 HD2 PRO 323 HD2 PRO 323 10.744 7.495 7.349
134 HD3 PRO 323 HD3 PRO 323 10.105 9.092 6.904
135 HA PRO 324 HA PRO 324 13.748 4.924 3.087
136 HB2 PRO 324 HB2 PRO 324 14.521 5.366 0.499
137 HB3 PRO 324 HB3 PRO 324 12.872 4.897 0.951
138 HG2 PRO 324 HG2 PRO 324 13.948 7.563 0.212
139 HG3 PRO 324 HG3 PRO 324 12.366 6.847 -0.127
140 HD2 PRO 324 HD2 PRO 324 12.847 8.710 1.840
141 HD3 PRO 324 HD3 PRO 324 11.481 7.575 1.837
142 H LEU 325 H LEU 325 16.040 4.516 1.739
143 HA LEU 325 HA LEU 325 18.083 5.798 3.347
144 HB2 LEU 325 HB2 LEU 325 17.979 3.895 1.009
145 HB3 LEU 325 HB3 LEU 325 19.528 4.517 1.578
146 HG LEU 325 HG LEU 325 18.237 3.765 3.925
147 HD11 LEU 325 HD11 LEU 325 16.496 2.587 2.686
148 HD12 LEU 325 HD12 LEU 325 17.555 1.404 3.455
149 HD13 LEU 325 HD13 LEU 325 17.710 1.737 1.729
150 HD21 LEU 325 HD21 LEU 325 19.883 1.887 3.889
151 HD22 LEU 325 HD22 LEU 325 20.607 3.425 3.419
152 HD23 LEU 325 HD23 LEU 325 20.199 2.231 2.188
153 H LEU 326 H LEU 326 19.617 7.372 2.698
154 HA LEU 326 HA LEU 326 19.016 8.786 0.114
155 HB2 LEU 326 HB2 LEU 326 19.856 9.774 2.856
156 HB3 LEU 326 HB3 LEU 326 19.846 10.804 1.425
157 HG LEU 326 HG LEU 326 17.345 9.558 1.383
158 HD11 LEU 326 HD11 LEU 326 16.420 9.956 3.616
159 HD12 LEU 326 HD12 LEU 326 17.996 10.497 4.193
160 HD13 LEU 326 HD13 LEU 326 17.760 8.815 3.721
161 HD21 LEU 326 HD21 LEU 326 18.181 12.280 2.436
162 HD22 LEU 326 HD22 LEU 326 16.534 11.842 1.985
163 HD23 LEU 326 HD23 LEU 326 17.802 11.881 0.760
164 H GLU 327 H GLU 327 20.679 8.456 -1.305
165 HA GLU 327 HA GLU 327 23.423 7.921 -0.271
166 HB2 GLU 327 HB2 GLU 327 21.916 7.506 -2.848
167 HB3 GLU 327 HB3 GLU 327 23.677 7.429 -2.833
168 HG2 GLU 327 HG2 GLU 327 23.387 5.796 -0.840
169 HG3 GLU 327 HG3 GLU 327 21.711 5.667 -1.373