NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
641115 | 6ofa | 30597 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA ALA 1 HA ALA 1 -15.903 1.819 1.938 2 HB1 ALA 1 HB1 ALA 1 -15.832 1.658 -0.489 3 HB2 ALA 1 HB2 ALA 1 -17.221 2.736 -0.616 4 HB3 ALA 1 HB3 ALA 1 -17.405 1.143 0.119 5 H SER 2 H SER 2 -14.032 2.622 0.452 6 HA SER 2 HA SER 2 -13.767 5.477 0.244 7 HB2 SER 2 HB2 SER 2 -13.536 5.083 2.732 8 HB3 SER 2 HB3 SER 2 -12.110 4.107 2.382 9 HG SER 2 HG SER 2 -11.849 6.461 2.889 10 HA PRO 3 HA PRO 3 -11.053 2.907 -2.585 11 HB2 PRO 3 HB2 PRO 3 -11.852 5.240 -4.269 12 HB3 PRO 3 HB3 PRO 3 -11.694 3.526 -4.716 13 HG2 PRO 3 HG2 PRO 3 -14.095 4.569 -4.385 14 HG3 PRO 3 HG3 PRO 3 -13.728 2.957 -3.731 15 HD2 PRO 3 HD2 PRO 3 -13.909 5.585 -2.256 16 HD3 PRO 3 HD3 PRO 3 -14.492 3.961 -1.772 17 H GLN 4 H GLN 4 -11.247 6.238 -1.594 18 HA GLN 4 HA GLN 4 -8.749 7.114 -2.588 19 HB2 GLN 4 HB2 GLN 4 -10.255 8.179 -0.191 20 HB3 GLN 4 HB3 GLN 4 -8.999 9.019 -1.089 21 HG2 GLN 4 HG2 GLN 4 -10.975 9.983 -1.873 22 HG3 GLN 4 HG3 GLN 4 -10.576 8.797 -3.113 23 HE21 GLN 4 HE21 GLN 4 -11.932 8.009 0.035 24 HE22 GLN 4 HE22 GLN 4 -13.472 7.477 -0.561 25 H GLN 5 H GLN 5 -9.767 5.779 0.520 26 HA GLN 5 HA GLN 5 -7.246 6.035 1.771 27 HB2 GLN 5 HB2 GLN 5 -9.605 4.264 2.353 28 HB3 GLN 5 HB3 GLN 5 -8.126 4.176 3.294 29 HG2 GLN 5 HG2 GLN 5 -9.529 6.798 2.939 30 HG3 GLN 5 HG3 GLN 5 -10.085 5.640 4.146 31 HE21 GLN 5 HE21 GLN 5 -6.700 5.916 3.328 32 HE22 GLN 5 HE22 GLN 5 -6.206 6.658 4.809 33 H ALA 6 H ALA 6 -8.726 3.519 -0.148 34 HA ALA 6 HA ALA 6 -6.721 1.569 0.129 35 HB1 ALA 6 HB1 ALA 6 -7.594 0.604 -1.934 36 HB2 ALA 6 HB2 ALA 6 -8.505 2.074 -2.253 37 HB3 ALA 6 HB3 ALA 6 -8.909 1.073 -0.858 38 H LYS 7 H LYS 7 -7.150 4.164 -2.257 39 HA LYS 7 HA LYS 7 -4.843 3.559 -3.763 40 HB2 LYS 7 HB2 LYS 7 -6.714 5.017 -4.546 41 HB3 LYS 7 HB3 LYS 7 -6.174 6.256 -3.424 42 HG2 LYS 7 HG2 LYS 7 -5.404 6.746 -5.664 43 HG3 LYS 7 HG3 LYS 7 -4.024 6.394 -4.593 44 HD2 LYS 7 HD2 LYS 7 -3.972 4.077 -5.466 45 HD3 LYS 7 HD3 LYS 7 -5.303 4.465 -6.561 46 HE2 LYS 7 HE2 LYS 7 -3.161 4.570 -7.740 47 HE3 LYS 7 HE3 LYS 7 -3.893 6.171 -7.637 48 HZ1 LYS 7 HZ1 LYS 7 -1.801 5.185 -5.785 49 HZ2 LYS 7 HZ2 LYS 7 -2.410 6.761 -5.886 50 HZ3 LYS 7 HZ3 LYS 7 -1.486 6.127 -7.152 51 H TYR 8 H TYR 8 -5.386 5.534 -0.922 52 HA TYR 8 HA TYR 8 -2.849 6.752 -0.780 53 HB2 TYR 8 HB2 TYR 8 -4.817 7.487 0.539 54 HB3 TYR 8 HB3 TYR 8 -4.723 5.994 1.473 55 HD1 TYR 8 HD1 TYR 8 -3.307 5.813 3.340 56 HD2 TYR 8 HD2 TYR 8 -2.912 9.124 0.699 57 HE1 TYR 8 HE1 TYR 8 -1.797 6.900 4.943 58 HE2 TYR 8 HE2 TYR 8 -1.399 10.223 2.294 59 HH TYR 8 HH TYR 8 -0.862 10.184 4.650 60 H CYS 9 H CYS 9 -4.108 3.716 0.529 61 HA CYS 9 HA CYS 9 -1.789 3.005 1.980 62 HB2 CYS 9 HB2 CYS 9 -4.037 1.980 2.325 63 HB3 CYS 9 HB3 CYS 9 -3.868 1.140 0.777 64 H TYR 10 H TYR 10 -2.908 2.074 -1.267 65 HA TYR 10 HA TYR 10 -0.653 0.459 -1.856 66 HB2 TYR 10 HB2 TYR 10 -2.772 1.738 -3.593 67 HB3 TYR 10 HB3 TYR 10 -1.439 0.806 -4.279 68 HD1 TYR 10 HD1 TYR 10 -1.195 -1.595 -3.657 69 HD2 TYR 10 HD2 TYR 10 -4.658 0.655 -2.657 70 HE1 TYR 10 HE1 TYR 10 -2.445 -3.672 -3.332 71 HE2 TYR 10 HE2 TYR 10 -5.919 -1.422 -2.326 72 HH TYR 10 HH TYR 10 -5.837 -3.771 -3.045 73 H GLU 11 H GLU 11 -1.191 3.879 -2.035 74 HA GLU 11 HA GLU 11 1.087 4.320 -3.726 75 HB2 GLU 11 HB2 GLU 11 -0.787 5.895 -3.818 76 HB3 GLU 11 HB3 GLU 11 -0.555 6.293 -2.104 77 HG2 GLU 11 HG2 GLU 11 1.599 7.270 -2.583 78 HG3 GLU 11 HG3 GLU 11 1.468 6.785 -4.289 79 H GLN 12 H GLN 12 0.373 4.882 -0.255 80 HA GLN 12 HA GLN 12 2.961 5.963 0.206 81 HB2 GLN 12 HB2 GLN 12 0.839 5.022 2.144 82 HB3 GLN 12 HB3 GLN 12 2.328 5.817 2.616 83 HG2 GLN 12 HG2 GLN 12 0.552 7.113 0.621 84 HG3 GLN 12 HG3 GLN 12 0.143 7.172 2.328 85 HE21 GLN 12 HE21 GLN 12 3.452 7.102 1.319 86 HE22 GLN 12 HE22 GLN 12 3.820 8.751 1.700 87 H CYS 13 H CYS 13 1.732 2.739 0.148 88 HA CYS 13 HA CYS 13 3.481 1.527 1.973 89 HB2 CYS 13 HB2 CYS 13 2.948 -0.570 0.842 90 HB3 CYS 13 HB3 CYS 13 1.482 0.410 0.962 91 H ASN 14 H ASN 14 3.833 1.912 -1.566 92 HA ASN 14 HA ASN 14 6.555 0.971 -1.451 93 HB2 ASN 14 HB2 ASN 14 6.650 1.428 -3.844 94 HB3 ASN 14 HB3 ASN 14 5.188 0.536 -3.454 95 HD21 ASN 14 HD21 ASN 14 3.142 1.676 -3.574 96 HD22 ASN 14 HD22 ASN 14 3.021 3.149 -4.473 97 H VAL 15 H VAL 15 4.971 4.092 -1.426 98 HA VAL 15 HA VAL 15 7.197 5.692 -2.026 99 HB VAL 15 HB VAL 15 4.830 6.313 -0.251 100 HG11 VAL 15 HG11 VAL 15 6.979 8.166 -1.291 101 HG12 VAL 15 HG12 VAL 15 6.689 7.737 0.395 102 HG13 VAL 15 HG13 VAL 15 5.494 8.683 -0.494 103 HG21 VAL 15 HG21 VAL 15 4.243 5.956 -2.594 104 HG22 VAL 15 HG22 VAL 15 5.472 7.117 -3.092 105 HG23 VAL 15 HG23 VAL 15 4.072 7.657 -2.165 106 H ASN 16 H ASN 16 6.050 4.343 1.069 107 HA ASN 16 HA ASN 16 8.196 5.508 2.568 108 HB2 ASN 16 HB2 ASN 16 6.459 3.090 3.211 109 HB3 ASN 16 HB3 ASN 16 7.555 3.892 4.342 110 HD21 ASN 16 HD21 ASN 16 6.892 6.558 3.337 111 HD22 ASN 16 HD22 ASN 16 5.317 6.911 3.961 112 H LYS 17 H LYS 17 7.675 1.999 2.313 113 HA LYS 17 HA LYS 17 9.481 1.400 0.356 114 HB2 LYS 17 HB2 LYS 17 11.197 2.344 1.928 115 HB3 LYS 17 HB3 LYS 17 10.829 1.009 3.031 116 HG2 LYS 17 HG2 LYS 17 11.620 -0.613 1.471 117 HG3 LYS 17 HG3 LYS 17 11.736 0.592 0.185 118 HD2 LYS 17 HD2 LYS 17 13.508 1.756 1.359 119 HD3 LYS 17 HD3 LYS 17 13.386 0.639 2.736 120 HE2 LYS 17 HE2 LYS 17 14.064 -1.211 1.293 121 HE3 LYS 17 HE3 LYS 17 14.112 -0.134 -0.102 122 HZ1 LYS 17 HZ1 LYS 17 15.892 1.100 0.946 123 HZ2 LYS 17 HZ2 LYS 17 16.315 -0.529 0.817 124 HZ3 LYS 17 HZ3 LYS 17 15.831 0.099 2.308 125 H VAL 18 H VAL 18 7.639 -0.104 0.077 126 HA VAL 18 HA VAL 18 8.289 -2.590 1.483 127 HB VAL 18 HB VAL 18 6.154 -3.182 2.145 128 HG11 VAL 18 HG11 VAL 18 6.875 -1.259 3.480 129 HG12 VAL 18 HG12 VAL 18 5.118 -1.372 3.367 130 HG13 VAL 18 HG13 VAL 18 5.990 -0.179 2.400 131 HG21 VAL 18 HG21 VAL 18 4.999 -1.170 0.223 132 HG22 VAL 18 HG22 VAL 18 4.072 -2.255 1.265 133 HG23 VAL 18 HG23 VAL 18 5.100 -2.917 -0.009 134 HA PRO 19 HA PRO 19 8.076 -4.341 -2.641 135 HB2 PRO 19 HB2 PRO 19 7.087 -6.760 -1.244 136 HB3 PRO 19 HB3 PRO 19 8.489 -6.575 -2.311 137 HG2 PRO 19 HG2 PRO 19 8.802 -6.882 0.323 138 HG3 PRO 19 HG3 PRO 19 9.856 -5.811 -0.622 139 HD2 PRO 19 HD2 PRO 19 7.578 -5.096 1.190 140 HD3 PRO 19 HD3 PRO 19 9.136 -4.276 0.933 141 H PHE 20 H PHE 20 6.460 -4.984 -4.171 142 HA PHE 20 HA PHE 20 3.930 -3.888 -3.770 143 HB2 PHE 20 HB2 PHE 20 4.995 -4.376 -6.001 144 HB3 PHE 20 HB3 PHE 20 4.556 -6.064 -5.775 145 HD1 PHE 20 HD1 PHE 20 3.324 -2.705 -6.468 146 HD2 PHE 20 HD2 PHE 20 2.238 -6.779 -5.891 147 HE1 PHE 20 HE1 PHE 20 1.105 -2.246 -7.429 148 HE2 PHE 20 HE2 PHE 20 0.019 -6.329 -6.855 149 HZ PHE 20 HZ PHE 20 -0.549 -4.059 -7.624 150 H ASP 21 H ASP 21 4.942 -7.286 -3.535 151 HA ASP 21 HA ASP 21 2.382 -8.362 -3.101 152 HB2 ASP 21 HB2 ASP 21 3.569 -10.324 -2.158 153 HB3 ASP 21 HB3 ASP 21 4.228 -9.813 -3.709 154 H GLN 22 H GLN 22 4.786 -7.081 -0.833 155 HA GLN 22 HA GLN 22 3.306 -7.677 1.507 156 HB2 GLN 22 HB2 GLN 22 5.714 -7.110 1.567 157 HB3 GLN 22 HB3 GLN 22 5.334 -5.466 1.063 158 HG2 GLN 22 HG2 GLN 22 3.962 -5.222 3.125 159 HG3 GLN 22 HG3 GLN 22 4.540 -6.812 3.634 160 HE21 GLN 22 HE21 GLN 22 4.882 -4.221 4.906 161 HE22 GLN 22 HE22 GLN 22 6.591 -3.978 5.055 162 H CYS 23 H CYS 23 3.367 -4.951 -0.721 163 HA CYS 23 HA CYS 23 1.705 -3.210 0.751 164 HB2 CYS 23 HB2 CYS 23 2.999 -2.520 -1.301 165 HB3 CYS 23 HB3 CYS 23 1.835 -3.419 -2.276 166 H TYR 24 H TYR 24 0.936 -5.634 -1.722 167 HA TYR 24 HA TYR 24 -1.854 -5.330 -1.631 168 HB2 TYR 24 HB2 TYR 24 -0.500 -6.640 -3.356 169 HB3 TYR 24 HB3 TYR 24 -0.413 -7.942 -2.158 170 HD1 TYR 24 HD1 TYR 24 -2.474 -9.123 -1.473 171 HD2 TYR 24 HD2 TYR 24 -2.496 -6.233 -4.586 172 HE1 TYR 24 HE1 TYR 24 -4.645 -9.974 -2.236 173 HE2 TYR 24 HE2 TYR 24 -4.669 -7.069 -5.356 174 HH TYR 24 HH TYR 24 -6.570 -9.229 -3.507 175 H GLN 25 H GLN 25 0.375 -7.099 0.415 176 HA GLN 25 HA GLN 25 -1.523 -8.779 1.656 177 HB2 GLN 25 HB2 GLN 25 0.919 -9.202 1.687 178 HB3 GLN 25 HB3 GLN 25 1.147 -7.763 2.674 179 HG2 GLN 25 HG2 GLN 25 -0.178 -8.805 4.468 180 HG3 GLN 25 HG3 GLN 25 -0.333 -10.260 3.486 181 HE21 GLN 25 HE21 GLN 25 0.892 -9.894 6.101 182 HE22 GLN 25 HE22 GLN 25 2.533 -10.418 5.939 183 H MET 26 H MET 26 -0.312 -5.557 2.388 184 HA MET 26 HA MET 26 -1.742 -5.447 4.899 185 HB2 MET 26 HB2 MET 26 0.381 -4.373 4.889 186 HB3 MET 26 HB3 MET 26 0.015 -3.519 3.400 187 HG2 MET 26 HG2 MET 26 -1.685 -2.193 4.608 188 HG3 MET 26 HG3 MET 26 -1.223 -3.007 6.102 189 HE1 MET 26 HE1 MET 26 1.647 -0.258 3.733 190 HE2 MET 26 HE2 MET 26 0.027 -0.686 3.181 191 HE3 MET 26 HE3 MET 26 1.298 -1.909 3.226 192 H CYS 27 H CYS 27 -2.016 -3.974 1.679 193 HA CYS 27 HA CYS 27 -4.149 -2.247 2.568 194 HB2 CYS 27 HB2 CYS 27 -3.120 -2.705 -0.251 195 HB3 CYS 27 HB3 CYS 27 -4.160 -1.376 0.298 196 H SER 28 H SER 28 -4.032 -5.424 1.188 197 HA SER 28 HA SER 28 -6.407 -5.380 -0.263 198 HB2 SER 28 HB2 SER 28 -6.463 -7.879 0.093 199 HB3 SER 28 HB3 SER 28 -4.982 -7.227 -0.621 200 HG SER 28 HG SER 28 -3.892 -7.735 1.127 201 HA PRO 29 HA PRO 29 -8.741 -6.871 3.838 202 HB2 PRO 29 HB2 PRO 29 -7.155 -5.124 5.666 203 HB3 PRO 29 HB3 PRO 29 -7.963 -6.669 6.008 204 HG2 PRO 29 HG2 PRO 29 -5.335 -6.624 5.708 205 HG3 PRO 29 HG3 PRO 29 -6.292 -7.927 4.957 206 HD2 PRO 29 HD2 PRO 29 -5.074 -5.489 3.681 207 HD3 PRO 29 HD3 PRO 29 -5.183 -7.156 3.062 208 H LEU 30 H LEU 30 -7.241 -3.710 3.528 209 HA LEU 30 HA LEU 30 -9.482 -2.162 4.339 210 HB2 LEU 30 HB2 LEU 30 -6.995 -1.482 4.204 211 HB3 LEU 30 HB3 LEU 30 -7.270 -1.292 2.465 212 HG LEU 30 HG LEU 30 -8.592 0.309 4.685 213 HD11 LEU 30 HD11 LEU 30 -6.262 0.888 4.358 214 HD12 LEU 30 HD12 LEU 30 -7.293 2.167 3.712 215 HD13 LEU 30 HD13 LEU 30 -6.514 1.023 2.617 216 HD21 LEU 30 HD21 LEU 30 -8.845 0.635 1.688 217 HD22 LEU 30 HD22 LEU 30 -9.558 1.678 2.921 218 HD23 LEU 30 HD23 LEU 30 -10.099 0.005 2.757 219 H GLU 31 H GLU 31 -8.057 -2.863 1.180 220 HA GLU 31 HA GLU 31 -10.016 -1.450 -0.286 221 HB2 GLU 31 HB2 GLU 31 -7.741 -1.854 -1.139 222 HB3 GLU 31 HB3 GLU 31 -8.087 -3.586 -1.225 223 HG2 GLU 31 HG2 GLU 31 -9.806 -3.165 -2.907 224 HG3 GLU 31 HG3 GLU 31 -9.475 -1.430 -2.825 225 H ARG 32 H ARG 32 -9.466 -4.979 -0.162 226 HA ARG 32 HA ARG 32 -12.328 -5.412 -0.194 227 HB2 ARG 32 HB2 ARG 32 -10.574 -6.092 -2.544 228 HB3 ARG 32 HB3 ARG 32 -11.984 -7.089 -2.181 229 HG2 ARG 32 HG2 ARG 32 -12.063 -4.095 -2.693 230 HG3 ARG 32 HG3 ARG 32 -12.395 -5.324 -3.913 231 HD2 ARG 32 HD2 ARG 32 -14.460 -4.401 -3.003 232 HD3 ARG 32 HD3 ARG 32 -14.324 -6.108 -2.598 233 HE ARG 32 HE ARG 32 -13.507 -4.066 -0.640 234 HH11 ARG 32 HH11 ARG 32 -15.695 -6.649 -1.581 235 HH12 ARG 32 HH12 ARG 32 -16.380 -6.813 0.003 236 HH21 ARG 32 HH21 ARG 32 -14.398 -4.301 1.441 237 HH22 ARG 32 HH22 ARG 32 -15.644 -5.478 1.723 238 H SER 33 H SER 33 -12.373 -6.631 1.576 239 HA SER 33 HA SER 33 -11.451 -9.358 1.232 240 HB2 SER 33 HB2 SER 33 -10.644 -7.736 3.674 241 HB3 SER 33 HB3 SER 33 -10.476 -9.485 3.527 242 HG SER 33 HG SER 33 -9.395 -8.026 1.443 Start of MODEL 2 1 HA ALA 1 HA ALA 1 -16.523 1.757 -1.546 2 HB1 ALA 1 HB1 ALA 1 -18.520 3.716 -2.667 3 HB2 ALA 1 HB2 ALA 1 -18.555 1.967 -2.884 4 HB3 ALA 1 HB3 ALA 1 -17.240 2.915 -3.576 5 H SER 2 H SER 2 -14.582 2.670 -1.449 6 HA SER 2 HA SER 2 -14.235 5.532 -1.602 7 HB2 SER 2 HB2 SER 2 -14.753 5.053 0.874 8 HB3 SER 2 HB3 SER 2 -13.217 4.187 0.917 9 HG SER 2 HG SER 2 -13.290 6.546 1.500 10 HA PRO 3 HA PRO 3 -10.979 2.620 -3.381 11 HB2 PRO 3 HB2 PRO 3 -11.137 4.671 -5.531 12 HB3 PRO 3 HB3 PRO 3 -11.062 2.899 -5.653 13 HG2 PRO 3 HG2 PRO 3 -13.341 4.196 -6.105 14 HG3 PRO 3 HG3 PRO 3 -13.320 2.639 -5.250 15 HD2 PRO 3 HD2 PRO 3 -13.664 5.406 -4.111 16 HD3 PRO 3 HD3 PRO 3 -14.446 3.869 -3.632 17 H GLN 4 H GLN 4 -11.159 6.094 -2.923 18 HA GLN 4 HA GLN 4 -8.477 6.709 -3.489 19 HB2 GLN 4 HB2 GLN 4 -10.210 8.421 -3.372 20 HB3 GLN 4 HB3 GLN 4 -10.408 8.119 -1.648 21 HG2 GLN 4 HG2 GLN 4 -9.075 10.117 -1.989 22 HG3 GLN 4 HG3 GLN 4 -8.085 8.842 -1.277 23 HE21 GLN 4 HE21 GLN 4 -9.015 8.934 -4.660 24 HE22 GLN 4 HE22 GLN 4 -7.423 9.227 -5.277 25 H GLN 5 H GLN 5 -10.058 5.624 -0.544 26 HA GLN 5 HA GLN 5 -7.872 6.105 1.193 27 HB2 GLN 5 HB2 GLN 5 -10.168 4.152 1.408 28 HB3 GLN 5 HB3 GLN 5 -8.972 4.373 2.672 29 HG2 GLN 5 HG2 GLN 5 -9.638 6.745 2.857 30 HG3 GLN 5 HG3 GLN 5 -10.885 6.470 1.642 31 HE21 GLN 5 HE21 GLN 5 -11.441 3.759 2.691 32 HE22 GLN 5 HE22 GLN 5 -12.348 4.009 4.145 33 H ALA 6 H ALA 6 -8.880 3.297 -0.665 34 HA ALA 6 HA ALA 6 -6.773 1.588 0.130 35 HB1 ALA 6 HB1 ALA 6 -8.386 1.592 -2.419 36 HB2 ALA 6 HB2 ALA 6 -8.773 0.714 -0.939 37 HB3 ALA 6 HB3 ALA 6 -7.338 0.284 -1.876 38 H LYS 7 H LYS 7 -7.135 3.921 -2.480 39 HA LYS 7 HA LYS 7 -4.724 3.339 -3.819 40 HB2 LYS 7 HB2 LYS 7 -6.606 4.670 -4.775 41 HB3 LYS 7 HB3 LYS 7 -6.184 5.988 -3.690 42 HG2 LYS 7 HG2 LYS 7 -5.324 6.401 -5.912 43 HG3 LYS 7 HG3 LYS 7 -3.987 6.169 -4.754 44 HD2 LYS 7 HD2 LYS 7 -3.666 3.887 -5.524 45 HD3 LYS 7 HD3 LYS 7 -5.081 3.998 -6.575 46 HE2 LYS 7 HE2 LYS 7 -2.538 5.610 -6.842 47 HE3 LYS 7 HE3 LYS 7 -3.008 4.252 -7.861 48 HZ1 LYS 7 HZ1 LYS 7 -3.513 6.297 -8.965 49 HZ2 LYS 7 HZ2 LYS 7 -4.398 6.864 -7.645 50 HZ3 LYS 7 HZ3 LYS 7 -4.970 5.550 -8.541 51 H TYR 8 H TYR 8 -5.511 5.445 -1.112 52 HA TYR 8 HA TYR 8 -3.031 6.737 -0.853 53 HB2 TYR 8 HB2 TYR 8 -5.035 7.484 0.357 54 HB3 TYR 8 HB3 TYR 8 -5.025 5.990 1.297 55 HD1 TYR 8 HD1 TYR 8 -3.255 9.171 0.717 56 HD2 TYR 8 HD2 TYR 8 -3.581 5.707 3.162 57 HE1 TYR 8 HE1 TYR 8 -1.803 10.227 2.399 58 HE2 TYR 8 HE2 TYR 8 -2.131 6.745 4.844 59 HH TYR 8 HH TYR 8 -1.370 10.018 4.861 60 H CYS 9 H CYS 9 -4.234 3.669 0.391 61 HA CYS 9 HA CYS 9 -2.022 3.041 2.027 62 HB2 CYS 9 HB2 CYS 9 -4.208 1.882 2.177 63 HB3 CYS 9 HB3 CYS 9 -3.913 1.126 0.606 64 H TYR 10 H TYR 10 -2.771 2.174 -1.330 65 HA TYR 10 HA TYR 10 -0.355 0.740 -1.768 66 HB2 TYR 10 HB2 TYR 10 -2.432 1.908 -3.629 67 HB3 TYR 10 HB3 TYR 10 -0.967 1.134 -4.240 68 HD1 TYR 10 HD1 TYR 10 -0.563 -1.259 -3.784 69 HD2 TYR 10 HD2 TYR 10 -4.261 0.600 -2.796 70 HE1 TYR 10 HE1 TYR 10 -1.628 -3.460 -3.644 71 HE2 TYR 10 HE2 TYR 10 -5.331 -1.598 -2.655 72 HH TYR 10 HH TYR 10 -3.561 -4.514 -2.614 73 H GLU 11 H GLU 11 -1.178 4.103 -1.901 74 HA GLU 11 HA GLU 11 1.018 4.968 -3.463 75 HB2 GLU 11 HB2 GLU 11 -1.035 6.339 -2.949 76 HB3 GLU 11 HB3 GLU 11 -0.409 6.516 -1.294 77 HG2 GLU 11 HG2 GLU 11 0.089 8.489 -2.583 78 HG3 GLU 11 HG3 GLU 11 1.590 7.622 -2.180 79 H GLN 12 H GLN 12 0.477 5.146 0.058 80 HA GLN 12 HA GLN 12 3.098 6.149 0.493 81 HB2 GLN 12 HB2 GLN 12 1.017 5.170 2.455 82 HB3 GLN 12 HB3 GLN 12 2.495 6.006 2.902 83 HG2 GLN 12 HG2 GLN 12 0.611 7.238 0.954 84 HG3 GLN 12 HG3 GLN 12 0.283 7.319 2.678 85 HE21 GLN 12 HE21 GLN 12 3.566 7.319 1.554 86 HE22 GLN 12 HE22 GLN 12 3.882 8.989 1.878 87 H CYS 13 H CYS 13 1.794 2.939 0.423 88 HA CYS 13 HA CYS 13 3.644 1.671 2.130 89 HB2 CYS 13 HB2 CYS 13 2.999 -0.409 1.021 90 HB3 CYS 13 HB3 CYS 13 1.558 0.589 1.248 91 H ASN 14 H ASN 14 3.705 2.079 -1.407 92 HA ASN 14 HA ASN 14 6.364 1.048 -1.652 93 HB2 ASN 14 HB2 ASN 14 4.668 1.018 -3.509 94 HB3 ASN 14 HB3 ASN 14 4.867 2.761 -3.661 95 HD21 ASN 14 HD21 ASN 14 7.501 0.526 -2.964 96 HD22 ASN 14 HD22 ASN 14 8.315 0.758 -4.474 97 H VAL 15 H VAL 15 5.034 4.212 -1.047 98 HA VAL 15 HA VAL 15 7.310 5.722 -1.788 99 HB VAL 15 HB VAL 15 5.060 6.358 0.128 100 HG11 VAL 15 HG11 VAL 15 7.022 7.634 0.800 101 HG12 VAL 15 HG12 VAL 15 5.838 8.696 0.038 102 HG13 VAL 15 HG13 VAL 15 7.262 8.175 -0.861 103 HG21 VAL 15 HG21 VAL 15 4.302 7.841 -1.671 104 HG22 VAL 15 HG22 VAL 15 4.416 6.173 -2.231 105 HG23 VAL 15 HG23 VAL 15 5.667 7.337 -2.667 106 H ASN 16 H ASN 16 6.323 4.148 1.231 107 HA ASN 16 HA ASN 16 8.520 5.225 2.730 108 HB2 ASN 16 HB2 ASN 16 6.779 2.796 3.280 109 HB3 ASN 16 HB3 ASN 16 7.927 3.507 4.421 110 HD21 ASN 16 HD21 ASN 16 5.116 3.169 4.871 111 HD22 ASN 16 HD22 ASN 16 4.444 4.753 5.060 112 H LYS 17 H LYS 17 7.902 1.778 2.244 113 HA LYS 17 HA LYS 17 9.869 1.170 0.438 114 HB2 LYS 17 HB2 LYS 17 11.592 0.083 1.926 115 HB3 LYS 17 HB3 LYS 17 11.604 1.852 1.913 116 HG2 LYS 17 HG2 LYS 17 10.377 1.856 4.044 117 HG3 LYS 17 HG3 LYS 17 10.402 0.087 4.054 118 HD2 LYS 17 HD2 LYS 17 12.930 0.217 3.946 119 HD3 LYS 17 HD3 LYS 17 12.765 1.971 4.180 120 HE2 LYS 17 HE2 LYS 17 13.212 0.926 6.311 121 HE3 LYS 17 HE3 LYS 17 11.563 1.548 6.297 122 HZ1 LYS 17 HZ1 LYS 17 12.366 -1.283 5.892 123 HZ2 LYS 17 HZ2 LYS 17 10.781 -0.704 5.805 124 HZ3 LYS 17 HZ3 LYS 17 11.621 -0.641 7.268 125 H VAL 18 H VAL 18 7.994 -0.201 -0.096 126 HA VAL 18 HA VAL 18 8.286 -2.771 1.244 127 HB VAL 18 HB VAL 18 6.088 -3.183 1.819 128 HG11 VAL 18 HG11 VAL 18 6.222 -0.197 2.229 129 HG12 VAL 18 HG12 VAL 18 6.924 -1.424 3.284 130 HG13 VAL 18 HG13 VAL 18 5.174 -1.330 3.086 131 HG21 VAL 18 HG21 VAL 18 5.166 -0.974 -0.010 132 HG22 VAL 18 HG22 VAL 18 4.128 -2.046 0.937 133 HG23 VAL 18 HG23 VAL 18 5.139 -2.706 -0.353 134 HA PRO 19 HA PRO 19 7.902 -4.252 -2.979 135 HB2 PRO 19 HB2 PRO 19 6.965 -6.738 -1.690 136 HB3 PRO 19 HB3 PRO 19 8.347 -6.487 -2.766 137 HG2 PRO 19 HG2 PRO 19 8.687 -6.963 -0.150 138 HG3 PRO 19 HG3 PRO 19 9.755 -5.874 -1.056 139 HD2 PRO 19 HD2 PRO 19 7.516 -5.191 0.821 140 HD3 PRO 19 HD3 PRO 19 9.099 -4.408 0.595 141 H PHE 20 H PHE 20 6.150 -4.846 -4.419 142 HA PHE 20 HA PHE 20 3.694 -3.695 -3.755 143 HB2 PHE 20 HB2 PHE 20 4.450 -4.035 -6.095 144 HB3 PHE 20 HB3 PHE 20 4.159 -5.761 -5.919 145 HD1 PHE 20 HD1 PHE 20 1.931 -6.662 -5.942 146 HD2 PHE 20 HD2 PHE 20 2.586 -2.464 -6.159 147 HE1 PHE 20 HE1 PHE 20 -0.415 -6.332 -6.606 148 HE2 PHE 20 HE2 PHE 20 0.243 -2.127 -6.824 149 HZ PHE 20 HZ PHE 20 -1.262 -4.064 -7.046 150 H ASP 21 H ASP 21 4.664 -7.108 -3.689 151 HA ASP 21 HA ASP 21 2.132 -8.174 -3.123 152 HB2 ASP 21 HB2 ASP 21 3.241 -10.176 -2.400 153 HB3 ASP 21 HB3 ASP 21 4.124 -9.540 -3.781 154 H GLN 22 H GLN 22 4.659 -6.954 -0.971 155 HA GLN 22 HA GLN 22 3.370 -7.501 1.471 156 HB2 GLN 22 HB2 GLN 22 5.719 -6.876 1.382 157 HB3 GLN 22 HB3 GLN 22 5.302 -5.291 0.737 158 HG2 GLN 22 HG2 GLN 22 5.762 -4.963 3.010 159 HG3 GLN 22 HG3 GLN 22 4.000 -4.903 2.858 160 HE21 GLN 22 HE21 GLN 22 3.674 -5.431 5.007 161 HE22 GLN 22 HE22 GLN 22 3.962 -7.024 5.625 162 H CYS 23 H CYS 23 3.240 -4.742 -0.738 163 HA CYS 23 HA CYS 23 1.590 -3.106 0.868 164 HB2 CYS 23 HB2 CYS 23 2.830 -2.340 -1.219 165 HB3 CYS 23 HB3 CYS 23 1.571 -3.142 -2.162 166 H TYR 24 H TYR 24 0.835 -5.484 -1.643 167 HA TYR 24 HA TYR 24 -1.945 -5.289 -1.563 168 HB2 TYR 24 HB2 TYR 24 -0.608 -6.643 -3.226 169 HB3 TYR 24 HB3 TYR 24 -0.371 -7.853 -1.955 170 HD1 TYR 24 HD1 TYR 24 -2.230 -9.232 -1.189 171 HD2 TYR 24 HD2 TYR 24 -2.751 -6.371 -4.286 172 HE1 TYR 24 HE1 TYR 24 -4.364 -10.281 -1.787 173 HE2 TYR 24 HE2 TYR 24 -4.886 -7.414 -4.894 174 HH TYR 24 HH TYR 24 -6.429 -9.743 -2.905 175 H GLN 25 H GLN 25 0.306 -6.942 0.569 176 HA GLN 25 HA GLN 25 -1.649 -8.602 1.825 177 HB2 GLN 25 HB2 GLN 25 1.134 -7.758 2.686 178 HB3 GLN 25 HB3 GLN 25 0.147 -8.881 3.608 179 HG2 GLN 25 HG2 GLN 25 0.182 -10.484 1.788 180 HG3 GLN 25 HG3 GLN 25 1.029 -9.346 0.745 181 HE21 GLN 25 HE21 GLN 25 1.777 -12.015 1.633 182 HE22 GLN 25 HE22 GLN 25 3.316 -11.838 2.408 183 H MET 26 H MET 26 -0.337 -5.416 2.498 184 HA MET 26 HA MET 26 -1.716 -5.261 5.031 185 HB2 MET 26 HB2 MET 26 0.424 -4.214 4.935 186 HB3 MET 26 HB3 MET 26 -0.003 -3.342 3.472 187 HG2 MET 26 HG2 MET 26 -1.581 -1.970 4.725 188 HG3 MET 26 HG3 MET 26 -1.199 -2.862 6.198 189 HE1 MET 26 HE1 MET 26 1.537 -1.926 3.486 190 HE2 MET 26 HE2 MET 26 1.933 -0.282 3.980 191 HE3 MET 26 HE3 MET 26 0.334 -0.645 3.332 192 H CYS 27 H CYS 27 -2.119 -3.969 1.765 193 HA CYS 27 HA CYS 27 -4.304 -2.270 2.604 194 HB2 CYS 27 HB2 CYS 27 -3.389 -2.868 -0.228 195 HB3 CYS 27 HB3 CYS 27 -4.417 -1.526 0.310 196 H SER 28 H SER 28 -4.040 -5.528 1.405 197 HA SER 28 HA SER 28 -6.543 -5.696 0.159 198 HB2 SER 28 HB2 SER 28 -6.380 -8.191 0.608 199 HB3 SER 28 HB3 SER 28 -5.059 -7.463 -0.314 200 HG SER 28 HG SER 28 -3.729 -7.691 1.372 201 HA PRO 29 HA PRO 29 -8.403 -7.056 4.512 202 HB2 PRO 29 HB2 PRO 29 -6.677 -5.260 6.151 203 HB3 PRO 29 HB3 PRO 29 -7.400 -6.825 6.576 204 HG2 PRO 29 HG2 PRO 29 -4.812 -6.696 6.022 205 HG3 PRO 29 HG3 PRO 29 -5.795 -8.043 5.390 206 HD2 PRO 29 HD2 PRO 29 -4.810 -5.580 3.964 207 HD3 PRO 29 HD3 PRO 29 -4.894 -7.264 3.388 208 H LEU 30 H LEU 30 -7.138 -3.998 3.499 209 HA LEU 30 HA LEU 30 -9.228 -2.424 4.741 210 HB2 LEU 30 HB2 LEU 30 -6.761 -1.730 4.314 211 HB3 LEU 30 HB3 LEU 30 -7.273 -1.490 2.635 212 HG LEU 30 HG LEU 30 -8.266 0.021 5.075 213 HD11 LEU 30 HD11 LEU 30 -6.615 0.851 2.689 214 HD12 LEU 30 HD12 LEU 30 -6.043 0.676 4.351 215 HD13 LEU 30 HD13 LEU 30 -7.210 1.937 3.945 216 HD21 LEU 30 HD21 LEU 30 -9.062 0.374 2.179 217 HD22 LEU 30 HD22 LEU 30 -9.555 1.397 3.529 218 HD23 LEU 30 HD23 LEU 30 -10.091 -0.284 3.454 219 H GLU 31 H GLU 31 -8.093 -2.904 1.414 220 HA GLU 31 HA GLU 31 -10.386 -1.725 0.235 221 HB2 GLU 31 HB2 GLU 31 -8.126 -1.857 -0.838 222 HB3 GLU 31 HB3 GLU 31 -8.381 -3.592 -1.061 223 HG2 GLU 31 HG2 GLU 31 -10.289 -3.144 -2.505 224 HG3 GLU 31 HG3 GLU 31 -10.085 -1.403 -2.268 225 H ARG 32 H ARG 32 -9.404 -5.077 0.717 226 HA ARG 32 HA ARG 32 -10.556 -7.040 0.745 227 HB2 ARG 32 HB2 ARG 32 -12.810 -5.111 1.311 228 HB3 ARG 32 HB3 ARG 32 -13.063 -6.857 1.267 229 HG2 ARG 32 HG2 ARG 32 -10.991 -5.595 3.075 230 HG3 ARG 32 HG3 ARG 32 -12.677 -5.730 3.562 231 HD2 ARG 32 HD2 ARG 32 -11.122 -7.555 4.358 232 HD3 ARG 32 HD3 ARG 32 -12.593 -8.095 3.565 233 HE ARG 32 HE ARG 32 -11.108 -8.371 1.533 234 HH11 ARG 32 HH11 ARG 32 -9.920 -8.705 4.811 235 HH12 ARG 32 HH12 ARG 32 -8.621 -9.762 4.365 236 HH21 ARG 32 HH21 ARG 32 -9.397 -9.779 0.946 237 HH22 ARG 32 HH22 ARG 32 -8.329 -10.377 2.178 238 H SER 33 H SER 33 -10.014 -7.375 -1.438 239 HA SER 33 HA SER 33 -12.329 -7.210 -3.254 240 HB2 SER 33 HB2 SER 33 -10.608 -7.523 -5.082 241 HB3 SER 33 HB3 SER 33 -10.424 -6.015 -4.182 242 HG SER 33 HG SER 33 -9.044 -8.314 -3.341 Start of MODEL 3 1 HA ALA 1 HA ALA 1 -16.325 2.146 0.936 2 HB1 ALA 1 HB1 ALA 1 -16.275 2.148 -1.505 3 HB2 ALA 1 HB2 ALA 1 -17.741 3.129 -1.538 4 HB3 ALA 1 HB3 ALA 1 -17.793 1.486 -0.900 5 H SER 2 H SER 2 -14.351 3.026 0.285 6 HA SER 2 HA SER 2 -14.200 5.846 -0.417 7 HB2 SER 2 HB2 SER 2 -14.343 5.671 2.164 8 HB3 SER 2 HB3 SER 2 -12.743 4.933 2.077 9 HG SER 2 HG SER 2 -12.343 7.055 2.321 10 HA PRO 3 HA PRO 3 -11.176 2.773 -2.335 11 HB2 PRO 3 HB2 PRO 3 -11.630 4.760 -4.518 12 HB3 PRO 3 HB3 PRO 3 -11.478 2.989 -4.614 13 HG2 PRO 3 HG2 PRO 3 -13.859 4.099 -4.811 14 HG3 PRO 3 HG3 PRO 3 -13.639 2.645 -3.814 15 HD2 PRO 3 HD2 PRO 3 -13.926 5.510 -2.915 16 HD3 PRO 3 HD3 PRO 3 -14.607 4.013 -2.202 17 H GLN 4 H GLN 4 -11.186 6.240 -1.944 18 HA GLN 4 HA GLN 4 -8.565 6.746 -2.879 19 HB2 GLN 4 HB2 GLN 4 -10.322 8.256 -0.955 20 HB3 GLN 4 HB3 GLN 4 -8.718 8.812 -1.415 21 HG2 GLN 4 HG2 GLN 4 -10.938 8.287 -3.388 22 HG3 GLN 4 HG3 GLN 4 -10.576 9.869 -2.702 23 HE21 GLN 4 HE21 GLN 4 -10.085 10.755 -4.718 24 HE22 GLN 4 HE22 GLN 4 -8.636 10.348 -5.577 25 H GLN 5 H GLN 5 -9.815 5.551 0.123 26 HA GLN 5 HA GLN 5 -7.457 5.959 1.660 27 HB2 GLN 5 HB2 GLN 5 -9.737 4.006 2.017 28 HB3 GLN 5 HB3 GLN 5 -8.417 4.179 3.163 29 HG2 GLN 5 HG2 GLN 5 -9.048 6.544 3.497 30 HG3 GLN 5 HG3 GLN 5 -10.413 6.311 2.406 31 HE21 GLN 5 HE21 GLN 5 -9.295 3.905 4.704 32 HE22 GLN 5 HE22 GLN 5 -10.688 3.976 5.729 33 H ALA 6 H ALA 6 -8.667 3.333 -0.320 34 HA ALA 6 HA ALA 6 -6.545 1.528 0.149 35 HB1 ALA 6 HB1 ALA 6 -7.287 0.410 -1.906 36 HB2 ALA 6 HB2 ALA 6 -8.339 1.775 -2.264 37 HB3 ALA 6 HB3 ALA 6 -8.643 0.781 -0.839 38 H LYS 7 H LYS 7 -7.097 4.027 -2.276 39 HA LYS 7 HA LYS 7 -4.764 3.577 -3.791 40 HB2 LYS 7 HB2 LYS 7 -6.604 4.902 -4.674 41 HB3 LYS 7 HB3 LYS 7 -6.407 6.091 -3.395 42 HG2 LYS 7 HG2 LYS 7 -5.500 6.935 -5.455 43 HG3 LYS 7 HG3 LYS 7 -4.194 6.670 -4.272 44 HD2 LYS 7 HD2 LYS 7 -3.782 4.437 -5.384 45 HD3 LYS 7 HD3 LYS 7 -4.911 4.931 -6.653 46 HE2 LYS 7 HE2 LYS 7 -2.564 5.366 -7.291 47 HE3 LYS 7 HE3 LYS 7 -3.505 6.855 -7.175 48 HZ1 LYS 7 HZ1 LYS 7 -2.559 7.261 -5.002 49 HZ2 LYS 7 HZ2 LYS 7 -1.320 7.065 -6.135 50 HZ3 LYS 7 HZ3 LYS 7 -1.698 5.808 -5.068 51 H TYR 8 H TYR 8 -5.400 5.497 -0.918 52 HA TYR 8 HA TYR 8 -2.867 6.758 -0.767 53 HB2 TYR 8 HB2 TYR 8 -4.890 7.525 0.466 54 HB3 TYR 8 HB3 TYR 8 -4.784 6.085 1.477 55 HD1 TYR 8 HD1 TYR 8 -3.423 6.050 3.386 56 HD2 TYR 8 HD2 TYR 8 -2.984 9.189 0.550 57 HE1 TYR 8 HE1 TYR 8 -1.971 7.254 4.957 58 HE2 TYR 8 HE2 TYR 8 -1.525 10.403 2.113 59 HH TYR 8 HH TYR 8 -0.188 8.977 4.875 60 H CYS 9 H CYS 9 -4.186 3.778 0.590 61 HA CYS 9 HA CYS 9 -2.015 3.023 2.179 62 HB2 CYS 9 HB2 CYS 9 -4.280 1.946 2.193 63 HB3 CYS 9 HB3 CYS 9 -3.875 1.156 0.664 64 H TYR 10 H TYR 10 -2.744 2.169 -1.200 65 HA TYR 10 HA TYR 10 -0.387 0.648 -1.589 66 HB2 TYR 10 HB2 TYR 10 -2.362 1.911 -3.492 67 HB3 TYR 10 HB3 TYR 10 -0.916 1.084 -4.075 68 HD1 TYR 10 HD1 TYR 10 -4.292 0.673 -2.897 69 HD2 TYR 10 HD2 TYR 10 -0.577 -1.331 -3.432 70 HE1 TYR 10 HE1 TYR 10 -5.444 -1.488 -2.776 71 HE2 TYR 10 HE2 TYR 10 -1.720 -3.494 -3.309 72 HH TYR 10 HH TYR 10 -5.031 -3.855 -3.581 73 H GLU 11 H GLU 11 -1.116 4.069 -2.035 74 HA GLU 11 HA GLU 11 1.185 4.728 -3.525 75 HB2 GLU 11 HB2 GLU 11 -0.905 6.162 -3.199 76 HB3 GLU 11 HB3 GLU 11 -0.224 6.583 -1.613 77 HG2 GLU 11 HG2 GLU 11 0.253 8.295 -3.277 78 HG3 GLU 11 HG3 GLU 11 1.739 7.527 -2.673 79 H GLN 12 H GLN 12 0.501 4.940 -0.036 80 HA GLN 12 HA GLN 12 3.015 6.006 0.650 81 HB2 GLN 12 HB2 GLN 12 1.019 4.506 2.350 82 HB3 GLN 12 HB3 GLN 12 2.460 5.286 2.970 83 HG2 GLN 12 HG2 GLN 12 0.274 6.676 1.473 84 HG3 GLN 12 HG3 GLN 12 0.443 6.641 3.221 85 HE21 GLN 12 HE21 GLN 12 2.272 7.696 4.164 86 HE22 GLN 12 HE22 GLN 12 3.075 8.983 3.320 87 H CYS 13 H CYS 13 2.021 2.796 -0.081 88 HA CYS 13 HA CYS 13 3.972 1.309 1.242 89 HB2 CYS 13 HB2 CYS 13 2.544 0.872 -1.384 90 HB3 CYS 13 HB3 CYS 13 3.713 -0.282 -0.754 91 H ASN 14 H ASN 14 4.121 2.740 -2.043 92 HA ASN 14 HA ASN 14 6.890 1.977 -2.282 93 HB2 ASN 14 HB2 ASN 14 6.737 3.348 -4.441 94 HB3 ASN 14 HB3 ASN 14 5.731 1.912 -4.326 95 HD21 ASN 14 HD21 ASN 14 5.689 5.453 -4.276 96 HD22 ASN 14 HD22 ASN 14 3.981 5.593 -4.560 97 H VAL 15 H VAL 15 5.097 4.815 -1.366 98 HA VAL 15 HA VAL 15 7.097 6.742 -1.537 99 HB VAL 15 HB VAL 15 4.853 6.471 0.467 100 HG11 VAL 15 HG11 VAL 15 6.696 8.828 0.041 101 HG12 VAL 15 HG12 VAL 15 6.656 7.790 1.466 102 HG13 VAL 15 HG13 VAL 15 5.270 8.809 1.079 103 HG21 VAL 15 HG21 VAL 15 3.820 8.273 -0.842 104 HG22 VAL 15 HG22 VAL 15 4.147 6.863 -1.851 105 HG23 VAL 15 HG23 VAL 15 5.203 8.272 -1.935 106 H ASN 16 H ASN 16 6.343 4.488 1.142 107 HA ASN 16 HA ASN 16 8.612 5.461 2.655 108 HB2 ASN 16 HB2 ASN 16 6.907 2.989 3.128 109 HB3 ASN 16 HB3 ASN 16 8.020 3.731 4.281 110 HD21 ASN 16 HD21 ASN 16 7.219 6.451 3.557 111 HD22 ASN 16 HD22 ASN 16 5.653 6.676 4.261 112 H LYS 17 H LYS 17 7.944 2.034 2.100 113 HA LYS 17 HA LYS 17 9.531 1.474 -0.033 114 HB2 LYS 17 HB2 LYS 17 11.462 2.285 1.295 115 HB3 LYS 17 HB3 LYS 17 11.128 1.027 2.497 116 HG2 LYS 17 HG2 LYS 17 11.597 -0.712 0.904 117 HG3 LYS 17 HG3 LYS 17 11.741 0.464 -0.405 118 HD2 LYS 17 HD2 LYS 17 13.699 1.449 0.622 119 HD3 LYS 17 HD3 LYS 17 13.561 0.365 2.023 120 HE2 LYS 17 HE2 LYS 17 15.266 -0.403 0.416 121 HE3 LYS 17 HE3 LYS 17 13.944 -1.562 0.566 122 HZ1 LYS 17 HZ1 LYS 17 14.138 0.453 -1.604 123 HZ2 LYS 17 HZ2 LYS 17 13.038 -0.828 -1.496 124 HZ3 LYS 17 HZ3 LYS 17 14.679 -1.142 -1.747 125 H VAL 18 H VAL 18 7.651 -0.025 -0.188 126 HA VAL 18 HA VAL 18 8.334 -2.486 1.268 127 HB VAL 18 HB VAL 18 6.259 -2.947 2.109 128 HG11 VAL 18 HG11 VAL 18 6.051 0.059 1.960 129 HG12 VAL 18 HG12 VAL 18 6.959 -0.858 3.158 130 HG13 VAL 18 HG13 VAL 18 5.203 -0.998 3.090 131 HG21 VAL 18 HG21 VAL 18 4.124 -2.044 1.165 132 HG22 VAL 18 HG22 VAL 18 5.064 -3.068 0.072 133 HG23 VAL 18 HG23 VAL 18 5.089 -1.316 -0.125 134 HA PRO 19 HA PRO 19 7.877 -4.387 -2.766 135 HB2 PRO 19 HB2 PRO 19 7.079 -6.803 -1.267 136 HB3 PRO 19 HB3 PRO 19 8.437 -6.573 -2.383 137 HG2 PRO 19 HG2 PRO 19 8.837 -6.817 0.256 138 HG3 PRO 19 HG3 PRO 19 9.830 -5.746 -0.749 139 HD2 PRO 19 HD2 PRO 19 7.575 -5.035 1.101 140 HD3 PRO 19 HD3 PRO 19 9.119 -4.198 0.800 141 H PHE 20 H PHE 20 6.159 -5.087 -4.127 142 HA PHE 20 HA PHE 20 3.656 -4.011 -3.484 143 HB2 PHE 20 HB2 PHE 20 4.495 -4.370 -5.813 144 HB3 PHE 20 HB3 PHE 20 4.179 -6.091 -5.617 145 HD1 PHE 20 HD1 PHE 20 2.656 -2.776 -5.935 146 HD2 PHE 20 HD2 PHE 20 1.943 -6.961 -5.658 147 HE1 PHE 20 HE1 PHE 20 0.327 -2.422 -6.645 148 HE2 PHE 20 HE2 PHE 20 -0.387 -6.616 -6.373 149 HZ PHE 20 HZ PHE 20 -1.197 -4.342 -6.865 150 H ASP 21 H ASP 21 4.776 -7.370 -3.357 151 HA ASP 21 HA ASP 21 2.277 -8.550 -2.834 152 HB2 ASP 21 HB2 ASP 21 3.474 -10.509 -2.131 153 HB3 ASP 21 HB3 ASP 21 4.344 -9.814 -3.491 154 H GLN 22 H GLN 22 4.713 -7.168 -0.689 155 HA GLN 22 HA GLN 22 3.418 -7.750 1.754 156 HB2 GLN 22 HB2 GLN 22 5.708 -7.057 1.807 157 HB3 GLN 22 HB3 GLN 22 5.342 -5.562 0.953 158 HG2 GLN 22 HG2 GLN 22 5.665 -4.965 3.193 159 HG3 GLN 22 HG3 GLN 22 3.916 -4.922 2.928 160 HE21 GLN 22 HE21 GLN 22 5.418 -5.178 5.399 161 HE22 GLN 22 HE22 GLN 22 4.899 -6.659 6.131 162 H CYS 23 H CYS 23 3.232 -5.006 -0.471 163 HA CYS 23 HA CYS 23 1.497 -3.427 1.100 164 HB2 CYS 23 HB2 CYS 23 2.789 -2.645 -0.955 165 HB3 CYS 23 HB3 CYS 23 1.536 -3.422 -1.923 166 H TYR 24 H TYR 24 0.884 -5.826 -1.414 167 HA TYR 24 HA TYR 24 -1.902 -5.573 -1.504 168 HB2 TYR 24 HB2 TYR 24 -0.387 -6.884 -3.096 169 HB3 TYR 24 HB3 TYR 24 -0.414 -8.179 -1.886 170 HD1 TYR 24 HD1 TYR 24 -2.335 -6.361 -4.397 171 HD2 TYR 24 HD2 TYR 24 -2.453 -9.441 -1.470 172 HE1 TYR 24 HE1 TYR 24 -4.444 -7.173 -5.350 173 HE2 TYR 24 HE2 TYR 24 -4.565 -10.262 -2.413 174 HH TYR 24 HH TYR 24 -5.733 -9.299 -5.435 175 H GLN 25 H GLN 25 0.201 -7.201 0.770 176 HA GLN 25 HA GLN 25 -1.835 -8.874 1.886 177 HB2 GLN 25 HB2 GLN 25 0.923 -8.077 2.811 178 HB3 GLN 25 HB3 GLN 25 -0.151 -9.018 3.839 179 HG2 GLN 25 HG2 GLN 25 0.872 -9.837 1.109 180 HG3 GLN 25 HG3 GLN 25 1.369 -10.495 2.665 181 HE21 GLN 25 HE21 GLN 25 -1.042 -10.469 0.208 182 HE22 GLN 25 HE22 GLN 25 -1.992 -11.778 0.829 183 H MET 26 H MET 26 -0.694 -5.637 2.489 184 HA MET 26 HA MET 26 -2.230 -5.434 4.941 185 HB2 MET 26 HB2 MET 26 -0.152 -4.344 5.096 186 HB3 MET 26 HB3 MET 26 -0.314 -3.635 3.499 187 HG2 MET 26 HG2 MET 26 -2.075 -2.148 4.332 188 HG3 MET 26 HG3 MET 26 -1.901 -2.853 5.938 189 HE1 MET 26 HE1 MET 26 1.532 -0.508 3.908 190 HE2 MET 26 HE2 MET 26 0.071 -1.020 3.064 191 HE3 MET 26 HE3 MET 26 1.247 -2.219 3.603 192 H CYS 27 H CYS 27 -2.243 -3.971 1.689 193 HA CYS 27 HA CYS 27 -4.474 -2.286 2.408 194 HB2 CYS 27 HB2 CYS 27 -3.199 -2.648 -0.322 195 HB3 CYS 27 HB3 CYS 27 -4.252 -1.320 0.204 196 H SER 28 H SER 28 -4.149 -5.389 0.828 197 HA SER 28 HA SER 28 -6.529 -5.274 -0.665 198 HB2 SER 28 HB2 SER 28 -4.815 -7.031 -1.037 199 HB3 SER 28 HB3 SER 28 -5.331 -7.804 0.470 200 HG SER 28 HG SER 28 -7.176 -8.409 -0.446 201 HA PRO 29 HA PRO 29 -8.774 -7.279 3.231 202 HB2 PRO 29 HB2 PRO 29 -7.057 -6.006 5.307 203 HB3 PRO 29 HB3 PRO 29 -7.906 -7.566 5.348 204 HG2 PRO 29 HG2 PRO 29 -5.287 -7.526 4.969 205 HG3 PRO 29 HG3 PRO 29 -6.310 -8.622 4.002 206 HD2 PRO 29 HD2 PRO 29 -5.075 -5.988 3.215 207 HD3 PRO 29 HD3 PRO 29 -5.211 -7.498 2.281 208 H LEU 30 H LEU 30 -7.386 -4.179 2.784 209 HA LEU 30 HA LEU 30 -9.462 -2.720 4.192 210 HB2 LEU 30 HB2 LEU 30 -7.009 -1.991 3.908 211 HB3 LEU 30 HB3 LEU 30 -7.428 -1.644 2.223 212 HG LEU 30 HG LEU 30 -8.544 -0.263 4.689 213 HD11 LEU 30 HD11 LEU 30 -6.275 0.389 4.196 214 HD12 LEU 30 HD12 LEU 30 -7.366 1.691 3.719 215 HD13 LEU 30 HD13 LEU 30 -6.677 0.626 2.495 216 HD21 LEU 30 HD21 LEU 30 -9.696 1.240 3.164 217 HD22 LEU 30 HD22 LEU 30 -10.239 -0.419 2.894 218 HD23 LEU 30 HD23 LEU 30 -9.100 0.330 1.774 219 H GLU 31 H GLU 31 -8.322 -3.010 0.860 220 HA GLU 31 HA GLU 31 -10.514 -1.612 -0.276 221 HB2 GLU 31 HB2 GLU 31 -8.254 -1.798 -1.320 222 HB3 GLU 31 HB3 GLU 31 -8.576 -3.508 -1.628 223 HG2 GLU 31 HG2 GLU 31 -10.537 -2.810 -3.007 224 HG3 GLU 31 HG3 GLU 31 -10.001 -1.135 -2.830 225 H ARG 32 H ARG 32 -9.957 -4.953 0.478 226 HA ARG 32 HA ARG 32 -12.455 -5.676 -0.919 227 HB2 ARG 32 HB2 ARG 32 -10.288 -7.662 -0.188 228 HB3 ARG 32 HB3 ARG 32 -11.616 -7.879 -1.327 229 HG2 ARG 32 HG2 ARG 32 -9.126 -6.191 -1.723 230 HG3 ARG 32 HG3 ARG 32 -9.531 -7.691 -2.547 231 HD2 ARG 32 HD2 ARG 32 -10.843 -4.993 -2.850 232 HD3 ARG 32 HD3 ARG 32 -9.947 -5.910 -4.054 233 HE ARG 32 HE ARG 32 -12.264 -7.301 -3.098 234 HH11 ARG 32 HH11 ARG 32 -11.119 -4.887 -5.350 235 HH12 ARG 32 HH12 ARG 32 -12.410 -5.138 -6.481 236 HH21 ARG 32 HH21 ARG 32 -13.975 -7.641 -4.580 237 HH22 ARG 32 HH22 ARG 32 -14.036 -6.709 -6.042 238 H SER 33 H SER 33 -13.823 -7.184 0.156 239 HA SER 33 HA SER 33 -13.367 -7.269 3.067 240 HB2 SER 33 HB2 SER 33 -15.950 -7.478 3.135 241 HB3 SER 33 HB3 SER 33 -15.268 -5.894 2.763 242 HG SER 33 HG SER 33 -16.062 -7.767 0.788 Start of MODEL 4 1 HA ALA 1 HA ALA 1 -16.784 0.827 2.466 2 HB1 ALA 1 HB1 ALA 1 -14.335 -0.816 1.846 3 HB2 ALA 1 HB2 ALA 1 -15.945 -1.464 2.150 4 HB3 ALA 1 HB3 ALA 1 -15.086 -0.603 3.427 5 H SER 2 H SER 2 -13.552 1.022 0.926 6 HA SER 2 HA SER 2 -13.271 3.752 1.890 7 HB2 SER 2 HB2 SER 2 -11.437 1.531 2.865 8 HB3 SER 2 HB3 SER 2 -11.156 3.249 3.126 9 HG SER 2 HG SER 2 -13.530 2.977 3.990 10 HA PRO 3 HA PRO 3 -11.210 2.358 -2.191 11 HB2 PRO 3 HB2 PRO 3 -12.621 4.751 -3.216 12 HB3 PRO 3 HB3 PRO 3 -12.503 3.120 -3.909 13 HG2 PRO 3 HG2 PRO 3 -14.768 3.999 -2.791 14 HG3 PRO 3 HG3 PRO 3 -14.243 2.310 -2.648 15 HD2 PRO 3 HD2 PRO 3 -14.112 4.497 -0.585 16 HD3 PRO 3 HD3 PRO 3 -14.445 2.752 -0.381 17 H GLN 4 H GLN 4 -11.861 5.765 -1.400 18 HA GLN 4 HA GLN 4 -9.595 6.836 -2.588 19 HB2 GLN 4 HB2 GLN 4 -10.050 8.858 -1.316 20 HB3 GLN 4 HB3 GLN 4 -11.550 8.168 -1.920 21 HG2 GLN 4 HG2 GLN 4 -10.545 7.701 0.878 22 HG3 GLN 4 HG3 GLN 4 -11.600 9.043 0.450 23 HE21 GLN 4 HE21 GLN 4 -13.151 7.525 -1.480 24 HE22 GLN 4 HE22 GLN 4 -14.159 6.460 -0.556 25 H GLN 5 H GLN 5 -10.024 5.517 0.614 26 HA GLN 5 HA GLN 5 -7.491 6.460 1.583 27 HB2 GLN 5 HB2 GLN 5 -9.259 4.296 2.720 28 HB3 GLN 5 HB3 GLN 5 -7.916 5.060 3.543 29 HG2 GLN 5 HG2 GLN 5 -9.101 7.190 3.556 30 HG3 GLN 5 HG3 GLN 5 -10.442 6.467 2.672 31 HE21 GLN 5 HE21 GLN 5 -8.667 4.837 5.220 32 HE22 GLN 5 HE22 GLN 5 -9.965 4.822 6.364 33 H ALA 6 H ALA 6 -8.741 3.524 0.165 34 HA ALA 6 HA ALA 6 -6.501 1.881 0.603 35 HB1 ALA 6 HB1 ALA 6 -7.376 0.492 -1.196 36 HB2 ALA 6 HB2 ALA 6 -8.501 1.772 -1.644 37 HB3 ALA 6 HB3 ALA 6 -8.654 0.973 -0.078 38 H LYS 7 H LYS 7 -7.321 4.146 -1.966 39 HA LYS 7 HA LYS 7 -5.168 3.535 -3.676 40 HB2 LYS 7 HB2 LYS 7 -7.173 4.922 -4.275 41 HB3 LYS 7 HB3 LYS 7 -6.497 6.228 -3.314 42 HG2 LYS 7 HG2 LYS 7 -6.073 6.543 -5.693 43 HG3 LYS 7 HG3 LYS 7 -4.560 6.348 -4.771 44 HD2 LYS 7 HD2 LYS 7 -4.392 4.024 -5.487 45 HD3 LYS 7 HD3 LYS 7 -5.951 4.130 -6.312 46 HE2 LYS 7 HE2 LYS 7 -3.449 5.675 -7.015 47 HE3 LYS 7 HE3 LYS 7 -4.112 4.315 -7.921 48 HZ1 LYS 7 HZ1 LYS 7 -5.474 6.920 -7.496 49 HZ2 LYS 7 HZ2 LYS 7 -6.072 5.622 -8.398 50 HZ3 LYS 7 HZ3 LYS 7 -4.688 6.445 -8.913 51 H TYR 8 H TYR 8 -5.457 5.609 -0.865 52 HA TYR 8 HA TYR 8 -2.895 6.802 -1.005 53 HB2 TYR 8 HB2 TYR 8 -4.696 7.701 0.414 54 HB3 TYR 8 HB3 TYR 8 -4.645 6.241 1.405 55 HD1 TYR 8 HD1 TYR 8 -3.081 6.001 3.153 56 HD2 TYR 8 HD2 TYR 8 -2.727 9.250 0.433 57 HE1 TYR 8 HE1 TYR 8 -1.398 7.029 4.614 58 HE2 TYR 8 HE2 TYR 8 -1.040 10.292 1.892 59 HH TYR 8 HH TYR 8 -0.376 10.235 4.272 60 H CYS 9 H CYS 9 -4.117 3.856 0.506 61 HA CYS 9 HA CYS 9 -1.802 3.071 1.882 62 HB2 CYS 9 HB2 CYS 9 -4.091 2.029 2.120 63 HB3 CYS 9 HB3 CYS 9 -3.823 1.212 0.575 64 H TYR 10 H TYR 10 -2.896 2.320 -1.410 65 HA TYR 10 HA TYR 10 -0.623 0.721 -2.036 66 HB2 TYR 10 HB2 TYR 10 -2.814 1.949 -3.719 67 HB3 TYR 10 HB3 TYR 10 -1.459 1.079 -4.445 68 HD1 TYR 10 HD1 TYR 10 -4.650 0.763 -2.774 69 HD2 TYR 10 HD2 TYR 10 -1.097 -1.319 -3.840 70 HE1 TYR 10 HE1 TYR 10 -5.808 -1.373 -2.444 71 HE2 TYR 10 HE2 TYR 10 -2.245 -3.455 -3.511 72 HH TYR 10 HH TYR 10 -5.615 -3.718 -3.182 73 H GLU 11 H GLU 11 -1.316 4.156 -2.343 74 HA GLU 11 HA GLU 11 0.852 4.702 -4.090 75 HB2 GLU 11 HB2 GLU 11 -1.028 6.281 -3.830 76 HB3 GLU 11 HB3 GLU 11 -0.542 6.581 -2.147 77 HG2 GLU 11 HG2 GLU 11 1.631 7.441 -2.987 78 HG3 GLU 11 HG3 GLU 11 1.014 7.257 -4.644 79 H GLN 12 H GLN 12 0.495 4.958 -0.545 80 HA GLN 12 HA GLN 12 3.150 6.044 -0.312 81 HB2 GLN 12 HB2 GLN 12 1.127 5.295 1.806 82 HB3 GLN 12 HB3 GLN 12 2.647 6.110 2.107 83 HG2 GLN 12 HG2 GLN 12 0.760 7.271 0.138 84 HG3 GLN 12 HG3 GLN 12 0.435 7.444 1.855 85 HE21 GLN 12 HE21 GLN 12 3.686 7.314 0.655 86 HE22 GLN 12 HE22 GLN 12 4.067 8.980 0.935 87 H CYS 13 H CYS 13 1.832 2.881 -0.249 88 HA CYS 13 HA CYS 13 3.405 1.675 1.722 89 HB2 CYS 13 HB2 CYS 13 2.892 -0.449 0.596 90 HB3 CYS 13 HB3 CYS 13 1.456 0.577 0.654 91 H ASN 14 H ASN 14 4.031 1.738 -1.805 92 HA ASN 14 HA ASN 14 6.680 0.719 -1.539 93 HB2 ASN 14 HB2 ASN 14 5.403 2.257 -3.813 94 HB3 ASN 14 HB3 ASN 14 6.983 1.502 -3.905 95 HD21 ASN 14 HD21 ASN 14 6.205 -0.871 -2.387 96 HD22 ASN 14 HD22 ASN 14 5.186 -1.789 -3.446 97 H VAL 15 H VAL 15 5.329 3.919 -1.363 98 HA VAL 15 HA VAL 15 7.735 5.344 -1.842 99 HB VAL 15 HB VAL 15 5.216 6.213 -0.414 100 HG11 VAL 15 HG11 VAL 15 7.588 7.852 -1.315 101 HG12 VAL 15 HG12 VAL 15 7.061 7.588 0.347 102 HG13 VAL 15 HG13 VAL 15 6.055 8.521 -0.761 103 HG21 VAL 15 HG21 VAL 15 4.742 7.428 -2.492 104 HG22 VAL 15 HG22 VAL 15 4.886 5.694 -2.784 105 HG23 VAL 15 HG23 VAL 15 6.214 6.772 -3.212 106 H ASN 16 H ASN 16 6.120 4.154 1.089 107 HA ASN 16 HA ASN 16 8.008 5.289 2.895 108 HB2 ASN 16 HB2 ASN 16 6.255 2.825 3.234 109 HB3 ASN 16 HB3 ASN 16 7.138 3.637 4.529 110 HD21 ASN 16 HD21 ASN 16 6.570 6.303 3.529 111 HD22 ASN 16 HD22 ASN 16 4.903 6.597 3.885 112 H LYS 17 H LYS 17 7.565 1.808 2.434 113 HA LYS 17 HA LYS 17 9.828 1.193 1.001 114 HB2 LYS 17 HB2 LYS 17 10.390 1.559 3.869 115 HB3 LYS 17 HB3 LYS 17 10.928 0.009 3.210 116 HG2 LYS 17 HG2 LYS 17 12.247 1.163 1.520 117 HG3 LYS 17 HG3 LYS 17 11.660 2.727 2.100 118 HD2 LYS 17 HD2 LYS 17 12.676 2.147 4.354 119 HD3 LYS 17 HD3 LYS 17 13.409 0.737 3.556 120 HE2 LYS 17 HE2 LYS 17 14.579 2.188 2.001 121 HE3 LYS 17 HE3 LYS 17 13.816 3.609 2.712 122 HZ1 LYS 17 HZ1 LYS 17 16.053 3.319 3.538 123 HZ2 LYS 17 HZ2 LYS 17 15.690 1.764 4.093 124 HZ3 LYS 17 HZ3 LYS 17 14.944 3.107 4.795 125 H VAL 18 H VAL 18 8.075 -0.226 0.193 126 HA VAL 18 HA VAL 18 8.172 -2.761 1.622 127 HB VAL 18 HB VAL 18 5.912 -3.175 1.899 128 HG11 VAL 18 HG11 VAL 18 6.569 -1.425 3.470 129 HG12 VAL 18 HG12 VAL 18 4.855 -1.338 3.063 130 HG13 VAL 18 HG13 VAL 18 5.993 -0.195 2.344 131 HG21 VAL 18 HG21 VAL 18 4.087 -1.997 0.792 132 HG22 VAL 18 HG22 VAL 18 5.233 -2.692 -0.359 133 HG23 VAL 18 HG23 VAL 18 5.258 -0.957 -0.027 134 HA PRO 19 HA PRO 19 8.209 -4.316 -2.619 135 HB2 PRO 19 HB2 PRO 19 7.278 -6.813 -1.343 136 HB3 PRO 19 HB3 PRO 19 8.726 -6.528 -2.327 137 HG2 PRO 19 HG2 PRO 19 8.913 -6.934 0.311 138 HG3 PRO 19 HG3 PRO 19 9.975 -5.794 -0.536 139 HD2 PRO 19 HD2 PRO 19 7.558 -5.214 1.149 140 HD3 PRO 19 HD3 PRO 19 9.120 -4.364 1.059 141 H PHE 20 H PHE 20 6.576 -5.104 -4.160 142 HA PHE 20 HA PHE 20 4.092 -3.909 -3.752 143 HB2 PHE 20 HB2 PHE 20 5.015 -4.451 -5.998 144 HB3 PHE 20 HB3 PHE 20 4.641 -6.147 -5.712 145 HD1 PHE 20 HD1 PHE 20 3.228 -2.816 -6.290 146 HD2 PHE 20 HD2 PHE 20 2.388 -6.961 -5.828 147 HE1 PHE 20 HE1 PHE 20 0.944 -2.442 -7.129 148 HE2 PHE 20 HE2 PHE 20 0.104 -6.597 -6.668 149 HZ PHE 20 HZ PHE 20 -0.621 -4.336 -7.316 150 H ASP 21 H ASP 21 4.971 -7.337 -3.405 151 HA ASP 21 HA ASP 21 2.390 -8.311 -2.900 152 HB2 ASP 21 HB2 ASP 21 3.561 -10.211 -1.762 153 HB3 ASP 21 HB3 ASP 21 4.148 -9.868 -3.388 154 H GLN 22 H GLN 22 4.819 -6.974 -0.711 155 HA GLN 22 HA GLN 22 3.378 -7.309 1.691 156 HB2 GLN 22 HB2 GLN 22 5.725 -6.759 1.747 157 HB3 GLN 22 HB3 GLN 22 5.450 -5.272 0.846 158 HG2 GLN 22 HG2 GLN 22 5.805 -4.691 3.110 159 HG3 GLN 22 HG3 GLN 22 4.087 -4.450 2.758 160 HE21 GLN 22 HE21 GLN 22 6.434 -6.350 4.473 161 HE22 GLN 22 HE22 GLN 22 5.307 -7.146 5.519 162 H CYS 23 H CYS 23 3.429 -4.744 -0.746 163 HA CYS 23 HA CYS 23 1.683 -2.957 0.565 164 HB2 CYS 23 HB2 CYS 23 3.033 -2.393 -1.502 165 HB3 CYS 23 HB3 CYS 23 1.881 -3.349 -2.436 166 H TYR 24 H TYR 24 1.066 -5.559 -1.735 167 HA TYR 24 HA TYR 24 -1.726 -5.259 -1.837 168 HB2 TYR 24 HB2 TYR 24 -0.180 -6.637 -3.385 169 HB3 TYR 24 HB3 TYR 24 -0.309 -7.908 -2.157 170 HD1 TYR 24 HD1 TYR 24 -2.489 -8.985 -1.725 171 HD2 TYR 24 HD2 TYR 24 -1.984 -6.138 -4.842 172 HE1 TYR 24 HE1 TYR 24 -4.585 -9.742 -2.750 173 HE2 TYR 24 HE2 TYR 24 -4.080 -6.884 -5.873 174 HH TYR 24 HH TYR 24 -6.311 -8.877 -4.265 175 H GLN 25 H GLN 25 0.378 -7.076 0.357 176 HA GLN 25 HA GLN 25 -1.799 -8.606 1.424 177 HB2 GLN 25 HB2 GLN 25 -0.232 -9.770 2.670 178 HB3 GLN 25 HB3 GLN 25 0.794 -9.150 1.383 179 HG2 GLN 25 HG2 GLN 25 1.594 -7.375 2.824 180 HG3 GLN 25 HG3 GLN 25 0.481 -7.871 4.094 181 HE21 GLN 25 HE21 GLN 25 2.179 -10.162 2.087 182 HE22 GLN 25 HE22 GLN 25 3.230 -10.760 3.325 183 H MET 26 H MET 26 -0.403 -5.527 2.152 184 HA MET 26 HA MET 26 -1.660 -5.410 4.758 185 HB2 MET 26 HB2 MET 26 0.471 -4.323 4.578 186 HB3 MET 26 HB3 MET 26 -0.045 -3.435 3.154 187 HG2 MET 26 HG2 MET 26 -1.664 -2.189 4.554 188 HG3 MET 26 HG3 MET 26 -1.041 -3.031 5.973 189 HE1 MET 26 HE1 MET 26 1.541 -0.155 3.427 190 HE2 MET 26 HE2 MET 26 -0.105 -0.624 2.999 191 HE3 MET 26 HE3 MET 26 1.199 -1.808 2.929 192 H CYS 27 H CYS 27 -2.111 -3.951 1.546 193 HA CYS 27 HA CYS 27 -4.260 -2.297 2.539 194 HB2 CYS 27 HB2 CYS 27 -3.367 -2.655 -0.338 195 HB3 CYS 27 HB3 CYS 27 -4.348 -1.336 0.332 196 H SER 28 H SER 28 -4.067 -5.413 0.927 197 HA SER 28 HA SER 28 -6.597 -5.339 -0.276 198 HB2 SER 28 HB2 SER 28 -6.481 -7.850 -0.301 199 HB3 SER 28 HB3 SER 28 -5.111 -7.017 -1.046 200 HG SER 28 HG SER 28 -3.833 -7.627 0.578 201 HA PRO 29 HA PRO 29 -8.419 -7.430 3.772 202 HB2 PRO 29 HB2 PRO 29 -6.618 -6.132 5.754 203 HB3 PRO 29 HB3 PRO 29 -7.365 -7.743 5.795 204 HG2 PRO 29 HG2 PRO 29 -4.783 -7.520 5.243 205 HG3 PRO 29 HG3 PRO 29 -5.799 -8.651 4.313 206 HD2 PRO 29 HD2 PRO 29 -4.821 -5.906 3.535 207 HD3 PRO 29 HD3 PRO 29 -4.879 -7.400 2.565 208 H LEU 30 H LEU 30 -7.194 -4.297 3.228 209 HA LEU 30 HA LEU 30 -9.174 -2.942 4.858 210 HB2 LEU 30 HB2 LEU 30 -7.121 -1.789 4.821 211 HB3 LEU 30 HB3 LEU 30 -6.910 -2.061 3.082 212 HG LEU 30 HG LEU 30 -8.721 -0.462 2.612 213 HD11 LEU 30 HD11 LEU 30 -9.593 0.982 4.368 214 HD12 LEU 30 HD12 LEU 30 -8.708 0.063 5.584 215 HD13 LEU 30 HD13 LEU 30 -10.006 -0.705 4.670 216 HD21 LEU 30 HD21 LEU 30 -6.514 0.622 4.363 217 HD22 LEU 30 HD22 LEU 30 -7.483 1.563 3.231 218 HD23 LEU 30 HD23 LEU 30 -6.409 0.297 2.631 219 H GLU 31 H GLU 31 -8.310 -3.062 1.431 220 HA GLU 31 HA GLU 31 -10.664 -1.657 0.625 221 HB2 GLU 31 HB2 GLU 31 -8.421 -1.610 -0.535 222 HB3 GLU 31 HB3 GLU 31 -8.769 -3.243 -1.117 223 HG2 GLU 31 HG2 GLU 31 -10.532 -0.861 -1.717 224 HG3 GLU 31 HG3 GLU 31 -9.203 -1.383 -2.760 225 H ARG 32 H ARG 32 -9.626 -5.052 0.446 226 HA ARG 32 HA ARG 32 -12.173 -5.662 -0.880 227 HB2 ARG 32 HB2 ARG 32 -9.880 -6.393 -1.867 228 HB3 ARG 32 HB3 ARG 32 -9.879 -7.611 -0.582 229 HG2 ARG 32 HG2 ARG 32 -10.763 -8.746 -2.435 230 HG3 ARG 32 HG3 ARG 32 -12.181 -8.312 -1.482 231 HD2 ARG 32 HD2 ARG 32 -11.225 -7.168 -4.089 232 HD3 ARG 32 HD3 ARG 32 -12.818 -7.778 -3.655 233 HE ARG 32 HE ARG 32 -11.709 -5.145 -2.944 234 HH11 ARG 32 HH11 ARG 32 -14.449 -7.343 -3.090 235 HH12 ARG 32 HH12 ARG 32 -15.613 -6.111 -2.731 236 HH21 ARG 32 HH21 ARG 32 -13.237 -3.538 -2.458 237 HH22 ARG 32 HH22 ARG 32 -14.928 -3.953 -2.364 238 H SER 33 H SER 33 -12.952 -5.204 1.408 239 HA SER 33 HA SER 33 -13.496 -7.816 2.592 240 HB2 SER 33 HB2 SER 33 -12.585 -5.439 4.254 241 HB3 SER 33 HB3 SER 33 -13.179 -6.967 4.898 242 HG SER 33 HG SER 33 -10.722 -6.402 4.375 Start of MODEL 5 1 HA ALA 1 HA ALA 1 -15.527 0.483 1.662 2 HB1 ALA 1 HB1 ALA 1 -17.986 0.420 1.844 3 HB2 ALA 1 HB2 ALA 1 -17.438 1.232 0.378 4 HB3 ALA 1 HB3 ALA 1 -18.019 2.180 1.746 5 H SER 2 H SER 2 -13.841 1.509 0.808 6 HA SER 2 HA SER 2 -14.042 4.178 -0.160 7 HB2 SER 2 HB2 SER 2 -13.679 4.706 2.259 8 HB3 SER 2 HB3 SER 2 -12.167 3.797 2.201 9 HG SER 2 HG SER 2 -12.279 6.264 1.787 10 HA PRO 3 HA PRO 3 -10.866 1.586 -2.378 11 HB2 PRO 3 HB2 PRO 3 -12.097 3.245 -4.532 12 HB3 PRO 3 HB3 PRO 3 -11.608 1.535 -4.563 13 HG2 PRO 3 HG2 PRO 3 -14.169 2.156 -4.402 14 HG3 PRO 3 HG3 PRO 3 -13.505 0.847 -3.401 15 HD2 PRO 3 HD2 PRO 3 -14.191 3.671 -2.580 16 HD3 PRO 3 HD3 PRO 3 -14.477 2.127 -1.714 17 H GLN 4 H GLN 4 -11.673 4.886 -1.887 18 HA GLN 4 HA GLN 4 -9.481 6.062 -3.278 19 HB2 GLN 4 HB2 GLN 4 -11.358 7.121 -1.167 20 HB3 GLN 4 HB3 GLN 4 -10.051 8.087 -1.835 21 HG2 GLN 4 HG2 GLN 4 -11.023 7.933 -4.060 22 HG3 GLN 4 HG3 GLN 4 -12.291 6.870 -3.452 23 HE21 GLN 4 HE21 GLN 4 -11.139 9.571 -1.580 24 HE22 GLN 4 HE22 GLN 4 -12.561 10.546 -1.755 25 H GLN 5 H GLN 5 -10.092 5.419 0.173 26 HA GLN 5 HA GLN 5 -7.581 6.352 1.046 27 HB2 GLN 5 HB2 GLN 5 -8.030 5.358 3.149 28 HB3 GLN 5 HB3 GLN 5 -9.585 5.880 2.524 29 HG2 GLN 5 HG2 GLN 5 -10.154 3.628 1.904 30 HG3 GLN 5 HG3 GLN 5 -8.541 3.065 2.327 31 HE21 GLN 5 HE21 GLN 5 -8.389 4.701 4.744 32 HE22 GLN 5 HE22 GLN 5 -9.424 3.933 5.901 33 H ALA 6 H ALA 6 -8.595 3.363 -0.330 34 HA ALA 6 HA ALA 6 -6.381 1.774 0.388 35 HB1 ALA 6 HB1 ALA 6 -8.482 0.860 -0.510 36 HB2 ALA 6 HB2 ALA 6 -7.058 0.280 -1.376 37 HB3 ALA 6 HB3 ALA 6 -8.074 1.533 -2.089 38 H LYS 7 H LYS 7 -6.974 3.973 -2.293 39 HA LYS 7 HA LYS 7 -4.679 3.372 -3.805 40 HB2 LYS 7 HB2 LYS 7 -6.584 4.728 -4.648 41 HB3 LYS 7 HB3 LYS 7 -6.119 6.028 -3.562 42 HG2 LYS 7 HG2 LYS 7 -5.381 6.480 -5.824 43 HG3 LYS 7 HG3 LYS 7 -3.987 6.272 -4.731 44 HD2 LYS 7 HD2 LYS 7 -3.682 3.979 -5.531 45 HD3 LYS 7 HD3 LYS 7 -5.108 4.122 -6.563 46 HE2 LYS 7 HE2 LYS 7 -3.033 4.407 -7.855 47 HE3 LYS 7 HE3 LYS 7 -4.005 5.878 -7.860 48 HZ1 LYS 7 HZ1 LYS 7 -1.653 6.330 -7.511 49 HZ2 LYS 7 HZ2 LYS 7 -1.660 5.384 -6.111 50 HZ3 LYS 7 HZ3 LYS 7 -2.568 6.809 -6.170 51 H TYR 8 H TYR 8 -5.237 5.529 -1.088 52 HA TYR 8 HA TYR 8 -2.670 6.714 -1.041 53 HB2 TYR 8 HB2 TYR 8 -4.592 7.680 0.165 54 HB3 TYR 8 HB3 TYR 8 -4.631 6.275 1.229 55 HD1 TYR 8 HD1 TYR 8 -2.618 9.220 0.260 56 HD2 TYR 8 HD2 TYR 8 -3.230 6.134 3.120 57 HE1 TYR 8 HE1 TYR 8 -1.052 10.338 1.794 58 HE2 TYR 8 HE2 TYR 8 -1.667 7.235 4.656 59 HH TYR 8 HH TYR 8 0.093 8.801 4.687 60 H CYS 9 H CYS 9 -4.051 3.876 0.544 61 HA CYS 9 HA CYS 9 -1.898 3.174 2.177 62 HB2 CYS 9 HB2 CYS 9 -4.219 2.130 2.172 63 HB3 CYS 9 HB3 CYS 9 -3.714 1.197 0.758 64 H TYR 10 H TYR 10 -2.637 2.176 -1.154 65 HA TYR 10 HA TYR 10 -0.292 0.604 -1.468 66 HB2 TYR 10 HB2 TYR 10 -2.318 1.718 -3.408 67 HB3 TYR 10 HB3 TYR 10 -0.872 0.871 -3.971 68 HD1 TYR 10 HD1 TYR 10 -4.206 0.503 -2.637 69 HD2 TYR 10 HD2 TYR 10 -0.488 -1.483 -3.225 70 HE1 TYR 10 HE1 TYR 10 -5.319 -1.664 -2.342 71 HE2 TYR 10 HE2 TYR 10 -1.591 -3.644 -2.932 72 HH TYR 10 HH TYR 10 -4.877 -4.084 -3.068 73 H GLU 11 H GLU 11 -1.082 3.952 -2.355 74 HA GLU 11 HA GLU 11 1.204 4.382 -3.929 75 HB2 GLU 11 HB2 GLU 11 -0.875 5.818 -3.912 76 HB3 GLU 11 HB3 GLU 11 -0.303 6.507 -2.377 77 HG2 GLU 11 HG2 GLU 11 1.757 7.252 -3.547 78 HG3 GLU 11 HG3 GLU 11 1.048 6.672 -5.072 79 H GLN 12 H GLN 12 0.648 4.780 -0.447 80 HA GLN 12 HA GLN 12 3.159 6.119 -0.092 81 HB2 GLN 12 HB2 GLN 12 1.209 5.003 1.922 82 HB3 GLN 12 HB3 GLN 12 2.639 5.935 2.333 83 HG2 GLN 12 HG2 GLN 12 0.384 6.898 0.606 84 HG3 GLN 12 HG3 GLN 12 0.586 7.271 2.312 85 HE21 GLN 12 HE21 GLN 12 3.504 7.505 2.066 86 HE22 GLN 12 HE22 GLN 12 3.784 9.014 1.265 87 H CYS 13 H CYS 13 2.173 2.849 -0.282 88 HA CYS 13 HA CYS 13 3.933 1.614 1.471 89 HB2 CYS 13 HB2 CYS 13 2.664 0.711 -1.100 90 HB3 CYS 13 HB3 CYS 13 3.907 -0.290 -0.338 91 H ASN 14 H ASN 14 4.555 2.131 -2.046 92 HA ASN 14 HA ASN 14 7.283 1.379 -1.714 93 HB2 ASN 14 HB2 ASN 14 7.618 1.964 -4.029 94 HB3 ASN 14 HB3 ASN 14 6.095 1.108 -3.877 95 HD21 ASN 14 HD21 ASN 14 4.640 3.470 -2.883 96 HD22 ASN 14 HD22 ASN 14 4.456 4.515 -4.244 97 H VAL 15 H VAL 15 5.592 4.383 -1.489 98 HA VAL 15 HA VAL 15 7.747 6.160 -1.693 99 HB VAL 15 HB VAL 15 5.181 6.362 -0.110 100 HG11 VAL 15 HG11 VAL 15 6.877 7.778 0.933 101 HG12 VAL 15 HG12 VAL 15 5.655 8.756 0.119 102 HG13 VAL 15 HG13 VAL 15 7.233 8.513 -0.628 103 HG21 VAL 15 HG21 VAL 15 4.520 7.916 -1.894 104 HG22 VAL 15 HG22 VAL 15 4.899 6.319 -2.540 105 HG23 VAL 15 HG23 VAL 15 6.060 7.635 -2.706 106 H ASN 16 H ASN 16 6.397 4.416 1.114 107 HA ASN 16 HA ASN 16 8.398 5.523 2.884 108 HB2 ASN 16 HB2 ASN 16 6.508 3.186 3.339 109 HB3 ASN 16 HB3 ASN 16 7.442 4.029 4.578 110 HD21 ASN 16 HD21 ASN 16 6.941 6.658 3.397 111 HD22 ASN 16 HD22 ASN 16 5.296 7.034 3.788 112 H LYS 17 H LYS 17 7.665 2.065 2.521 113 HA LYS 17 HA LYS 17 9.773 1.305 0.944 114 HB2 LYS 17 HB2 LYS 17 11.441 0.363 2.431 115 HB3 LYS 17 HB3 LYS 17 11.254 2.086 2.768 116 HG2 LYS 17 HG2 LYS 17 10.012 -0.131 4.404 117 HG3 LYS 17 HG3 LYS 17 11.544 0.657 4.785 118 HD2 LYS 17 HD2 LYS 17 10.451 2.782 5.097 119 HD3 LYS 17 HD3 LYS 17 8.893 2.128 4.544 120 HE2 LYS 17 HE2 LYS 17 8.941 0.555 6.465 121 HE3 LYS 17 HE3 LYS 17 10.430 1.316 7.021 122 HZ1 LYS 17 HZ1 LYS 17 7.782 2.628 6.752 123 HZ2 LYS 17 HZ2 LYS 17 9.208 3.414 7.208 124 HZ3 LYS 17 HZ3 LYS 17 8.554 2.210 8.199 125 H VAL 18 H VAL 18 7.896 0.061 0.250 126 HA VAL 18 HA VAL 18 8.010 -2.579 1.341 127 HB VAL 18 HB VAL 18 6.323 -2.435 2.823 128 HG11 VAL 18 HG11 VAL 18 4.714 -0.596 2.970 129 HG12 VAL 18 HG12 VAL 18 5.326 0.051 1.448 130 HG13 VAL 18 HG13 VAL 18 6.376 -0.011 2.862 131 HG21 VAL 18 HG21 VAL 18 4.601 -2.145 0.360 132 HG22 VAL 18 HG22 VAL 18 4.059 -2.716 1.940 133 HG23 VAL 18 HG23 VAL 18 5.228 -3.656 1.013 134 HA PRO 19 HA PRO 19 7.397 -3.353 -3.009 135 HB2 PRO 19 HB2 PRO 19 6.855 -6.096 -2.022 136 HB3 PRO 19 HB3 PRO 19 8.053 -5.544 -3.207 137 HG2 PRO 19 HG2 PRO 19 8.800 -6.310 -0.759 138 HG3 PRO 19 HG3 PRO 19 9.591 -4.957 -1.591 139 HD2 PRO 19 HD2 PRO 19 7.557 -4.885 0.614 140 HD3 PRO 19 HD3 PRO 19 8.983 -3.855 0.336 141 H PHE 20 H PHE 20 5.656 -3.867 -4.410 142 HA PHE 20 HA PHE 20 3.113 -3.193 -3.520 143 HB2 PHE 20 HB2 PHE 20 3.880 -3.116 -5.905 144 HB3 PHE 20 HB3 PHE 20 3.699 -4.865 -5.972 145 HD1 PHE 20 HD1 PHE 20 1.514 -5.893 -6.043 146 HD2 PHE 20 HD2 PHE 20 1.942 -1.669 -5.765 147 HE1 PHE 20 HE1 PHE 20 -0.858 -5.617 -6.634 148 HE2 PHE 20 HE2 PHE 20 -0.430 -1.386 -6.353 149 HZ PHE 20 HZ PHE 20 -1.834 -3.361 -6.788 150 H ASP 21 H ASP 21 4.493 -6.426 -4.011 151 HA ASP 21 HA ASP 21 2.114 -7.876 -3.634 152 HB2 ASP 21 HB2 ASP 21 3.588 -9.814 -3.177 153 HB3 ASP 21 HB3 ASP 21 4.057 -8.933 -4.629 154 H GLN 22 H GLN 22 4.616 -6.906 -1.310 155 HA GLN 22 HA GLN 22 3.330 -8.044 0.942 156 HB2 GLN 22 HB2 GLN 22 5.674 -7.514 1.063 157 HB3 GLN 22 HB3 GLN 22 5.366 -5.822 0.703 158 HG2 GLN 22 HG2 GLN 22 4.024 -5.748 2.846 159 HG3 GLN 22 HG3 GLN 22 4.708 -7.337 3.205 160 HE21 GLN 22 HE21 GLN 22 7.262 -6.744 1.959 161 HE22 GLN 22 HE22 GLN 22 8.088 -5.670 3.038 162 H CYS 23 H CYS 23 3.126 -4.923 -0.669 163 HA CYS 23 HA CYS 23 1.524 -3.609 1.264 164 HB2 CYS 23 HB2 CYS 23 2.695 -2.535 -0.750 165 HB3 CYS 23 HB3 CYS 23 1.347 -3.130 -1.720 166 H TYR 24 H TYR 24 0.760 -5.669 -1.476 167 HA TYR 24 HA TYR 24 -2.017 -5.527 -1.459 168 HB2 TYR 24 HB2 TYR 24 -0.478 -6.761 -3.110 169 HB3 TYR 24 HB3 TYR 24 -0.478 -8.088 -1.940 170 HD1 TYR 24 HD1 TYR 24 -2.301 -6.403 -4.552 171 HD2 TYR 24 HD2 TYR 24 -2.633 -9.241 -1.406 172 HE1 TYR 24 HE1 TYR 24 -4.388 -7.243 -5.537 173 HE2 TYR 24 HE2 TYR 24 -4.720 -10.087 -2.379 174 HH TYR 24 HH TYR 24 -5.705 -9.445 -5.479 175 H GLN 25 H GLN 25 0.189 -7.246 0.650 176 HA GLN 25 HA GLN 25 -1.780 -8.991 1.757 177 HB2 GLN 25 HB2 GLN 25 1.019 -8.223 2.574 178 HB3 GLN 25 HB3 GLN 25 0.014 -9.228 3.613 179 HG2 GLN 25 HG2 GLN 25 0.716 -9.915 0.751 180 HG3 GLN 25 HG3 GLN 25 1.546 -10.540 2.175 181 HE21 GLN 25 HE21 GLN 25 0.496 -12.000 3.504 182 HE22 GLN 25 HE22 GLN 25 -0.916 -12.862 2.994 183 H MET 26 H MET 26 -0.666 -5.769 2.498 184 HA MET 26 HA MET 26 -2.120 -5.748 5.010 185 HB2 MET 26 HB2 MET 26 -0.012 -4.654 5.124 186 HB3 MET 26 HB3 MET 26 -0.325 -3.756 3.649 187 HG2 MET 26 HG2 MET 26 -2.080 -2.476 4.811 188 HG3 MET 26 HG3 MET 26 -1.717 -3.356 6.296 189 HE1 MET 26 HE1 MET 26 -0.159 -1.061 3.506 190 HE2 MET 26 HE2 MET 26 1.126 -2.247 3.743 191 HE3 MET 26 HE3 MET 26 1.365 -0.578 4.250 192 H CYS 27 H CYS 27 -2.196 -3.933 1.922 193 HA CYS 27 HA CYS 27 -4.400 -2.342 2.862 194 HB2 CYS 27 HB2 CYS 27 -3.263 -2.484 0.052 195 HB3 CYS 27 HB3 CYS 27 -4.278 -1.199 0.734 196 H SER 28 H SER 28 -4.164 -5.261 0.928 197 HA SER 28 HA SER 28 -6.636 -4.996 -0.376 198 HB2 SER 28 HB2 SER 28 -4.998 -7.428 0.241 199 HB3 SER 28 HB3 SER 28 -6.562 -7.528 -0.582 200 HG SER 28 HG SER 28 -4.570 -5.739 -1.482 201 HA PRO 29 HA PRO 29 -8.604 -7.556 3.387 202 HB2 PRO 29 HB2 PRO 29 -6.770 -6.297 5.390 203 HB3 PRO 29 HB3 PRO 29 -7.614 -7.859 5.466 204 HG2 PRO 29 HG2 PRO 29 -5.037 -7.818 4.878 205 HG3 PRO 29 HG3 PRO 29 -6.137 -8.880 3.961 206 HD2 PRO 29 HD2 PRO 29 -4.906 -6.263 3.150 207 HD3 PRO 29 HD3 PRO 29 -5.219 -7.718 2.174 208 H LEU 30 H LEU 30 -7.057 -4.416 3.847 209 HA LEU 30 HA LEU 30 -9.075 -3.026 5.153 210 HB2 LEU 30 HB2 LEU 30 -6.978 -1.950 4.978 211 HB3 LEU 30 HB3 LEU 30 -6.914 -2.204 3.223 212 HG LEU 30 HG LEU 30 -8.746 -0.554 2.949 213 HD11 LEU 30 HD11 LEU 30 -9.768 -0.739 5.151 214 HD12 LEU 30 HD12 LEU 30 -9.330 0.929 4.787 215 HD13 LEU 30 HD13 LEU 30 -8.335 -0.019 5.890 216 HD21 LEU 30 HD21 LEU 30 -6.266 0.418 4.370 217 HD22 LEU 30 HD22 LEU 30 -7.356 1.431 3.427 218 HD23 LEU 30 HD23 LEU 30 -6.449 0.140 2.637 219 H GLU 31 H GLU 31 -8.444 -3.215 1.682 220 HA GLU 31 HA GLU 31 -10.769 -1.662 1.032 221 HB2 GLU 31 HB2 GLU 31 -8.559 -1.684 -0.219 222 HB3 GLU 31 HB3 GLU 31 -9.051 -3.252 -0.877 223 HG2 GLU 31 HG2 GLU 31 -10.713 -0.754 -1.222 224 HG3 GLU 31 HG3 GLU 31 -9.438 -1.226 -2.353 225 H ARG 32 H ARG 32 -9.820 -5.035 0.428 226 HA ARG 32 HA ARG 32 -12.619 -5.635 -0.242 227 HB2 ARG 32 HB2 ARG 32 -10.060 -7.178 -0.761 228 HB3 ARG 32 HB3 ARG 32 -11.654 -7.899 -0.974 229 HG2 ARG 32 HG2 ARG 32 -10.631 -5.453 -2.456 230 HG3 ARG 32 HG3 ARG 32 -10.640 -7.091 -3.102 231 HD2 ARG 32 HD2 ARG 32 -12.516 -5.978 -4.013 232 HD3 ARG 32 HD3 ARG 32 -13.154 -7.077 -2.799 233 HE ARG 32 HE ARG 32 -12.668 -4.302 -1.998 234 HH11 ARG 32 HH11 ARG 32 -14.978 -6.754 -2.969 235 HH12 ARG 32 HH12 ARG 32 -16.348 -5.876 -2.368 236 HH21 ARG 32 HH21 ARG 32 -14.462 -3.154 -1.205 237 HH22 ARG 32 HH22 ARG 32 -16.057 -3.827 -1.354 238 H SER 33 H SER 33 -13.255 -5.491 1.949 239 HA SER 33 HA SER 33 -12.270 -7.361 3.893 240 HB2 SER 33 HB2 SER 33 -14.954 -5.972 4.028 241 HB3 SER 33 HB3 SER 33 -13.890 -6.441 5.356 242 HG SER 33 HG SER 33 -12.356 -4.877 4.339 Start of MODEL 6 1 HA ALA 1 HA ALA 1 -15.354 1.820 2.231 2 HB1 ALA 1 HB1 ALA 1 -17.171 2.284 -0.132 3 HB2 ALA 1 HB2 ALA 1 -16.890 0.734 0.662 4 HB3 ALA 1 HB3 ALA 1 -15.571 1.545 -0.181 5 H SER 2 H SER 2 -13.721 2.922 0.928 6 HA SER 2 HA SER 2 -14.163 5.688 0.232 7 HB2 SER 2 HB2 SER 2 -12.403 4.994 2.610 8 HB3 SER 2 HB3 SER 2 -12.442 6.573 1.830 9 HG SER 2 HG SER 2 -14.908 5.560 2.581 10 HA PRO 3 HA PRO 3 -11.154 3.386 -2.472 11 HB2 PRO 3 HB2 PRO 3 -11.835 5.885 -3.979 12 HB3 PRO 3 HB3 PRO 3 -11.589 4.232 -4.593 13 HG2 PRO 3 HG2 PRO 3 -14.039 5.128 -4.318 14 HG3 PRO 3 HG3 PRO 3 -13.642 3.492 -3.747 15 HD2 PRO 3 HD2 PRO 3 -14.054 5.999 -2.126 16 HD3 PRO 3 HD3 PRO 3 -14.539 4.310 -1.771 17 H GLN 4 H GLN 4 -11.168 6.841 -1.645 18 HA GLN 4 HA GLN 4 -8.536 7.430 -2.342 19 HB2 GLN 4 HB2 GLN 4 -8.669 9.346 -0.861 20 HB3 GLN 4 HB3 GLN 4 -10.173 9.161 -1.747 21 HG2 GLN 4 HG2 GLN 4 -11.342 8.427 0.164 22 HG3 GLN 4 HG3 GLN 4 -9.847 8.079 1.037 23 HE21 GLN 4 HE21 GLN 4 -10.251 10.992 -0.830 24 HE22 GLN 4 HE22 GLN 4 -10.345 12.075 0.518 25 H GLN 5 H GLN 5 -9.745 5.662 0.362 26 HA GLN 5 HA GLN 5 -7.369 5.915 1.950 27 HB2 GLN 5 HB2 GLN 5 -9.678 3.974 2.140 28 HB3 GLN 5 HB3 GLN 5 -8.357 4.052 3.295 29 HG2 GLN 5 HG2 GLN 5 -10.230 6.338 2.698 30 HG3 GLN 5 HG3 GLN 5 -10.410 5.222 4.049 31 HE21 GLN 5 HE21 GLN 5 -7.541 5.045 4.535 32 HE22 GLN 5 HE22 GLN 5 -7.088 6.548 5.263 33 H ALA 6 H ALA 6 -8.752 3.502 -0.193 34 HA ALA 6 HA ALA 6 -6.701 1.586 0.056 35 HB1 ALA 6 HB1 ALA 6 -7.582 0.639 -2.025 36 HB2 ALA 6 HB2 ALA 6 -8.566 2.077 -2.267 37 HB3 ALA 6 HB3 ALA 6 -8.877 1.018 -0.892 38 H LYS 7 H LYS 7 -7.223 4.233 -2.249 39 HA LYS 7 HA LYS 7 -4.942 3.729 -3.818 40 HB2 LYS 7 HB2 LYS 7 -6.787 5.248 -4.511 41 HB3 LYS 7 HB3 LYS 7 -6.279 6.395 -3.282 42 HG2 LYS 7 HG2 LYS 7 -5.472 7.104 -5.434 43 HG3 LYS 7 HG3 LYS 7 -4.097 6.623 -4.408 44 HD2 LYS 7 HD2 LYS 7 -4.057 4.420 -5.533 45 HD3 LYS 7 HD3 LYS 7 -5.394 4.924 -6.570 46 HE2 LYS 7 HE2 LYS 7 -3.289 5.158 -7.773 47 HE3 LYS 7 HE3 LYS 7 -3.974 6.750 -7.455 48 HZ1 LYS 7 HZ1 LYS 7 -2.439 7.039 -5.628 49 HZ2 LYS 7 HZ2 LYS 7 -1.580 6.652 -7.033 50 HZ3 LYS 7 HZ3 LYS 7 -1.827 5.475 -5.847 51 H TYR 8 H TYR 8 -5.431 5.549 -0.856 52 HA TYR 8 HA TYR 8 -2.891 6.773 -0.749 53 HB2 TYR 8 HB2 TYR 8 -4.872 7.464 0.616 54 HB3 TYR 8 HB3 TYR 8 -4.663 6.000 1.576 55 HD1 TYR 8 HD1 TYR 8 -3.112 9.223 0.671 56 HD2 TYR 8 HD2 TYR 8 -3.045 5.881 3.302 57 HE1 TYR 8 HE1 TYR 8 -1.544 10.416 2.140 58 HE2 TYR 8 HE2 TYR 8 -1.474 7.060 4.774 59 HH TYR 8 HH TYR 8 -0.845 10.376 4.502 60 H CYS 9 H CYS 9 -4.135 3.725 0.543 61 HA CYS 9 HA CYS 9 -1.836 3.037 2.027 62 HB2 CYS 9 HB2 CYS 9 -4.100 1.980 2.279 63 HB3 CYS 9 HB3 CYS 9 -3.813 1.101 0.771 64 H TYR 10 H TYR 10 -2.865 2.045 -1.241 65 HA TYR 10 HA TYR 10 -0.516 0.536 -1.761 66 HB2 TYR 10 HB2 TYR 10 -2.619 1.715 -3.596 67 HB3 TYR 10 HB3 TYR 10 -1.253 0.766 -4.189 68 HD1 TYR 10 HD1 TYR 10 -4.538 0.659 -2.699 69 HD2 TYR 10 HD2 TYR 10 -1.027 -1.615 -3.462 70 HE1 TYR 10 HE1 TYR 10 -5.804 -1.407 -2.343 71 HE2 TYR 10 HE2 TYR 10 -2.286 -3.688 -3.109 72 HH TYR 10 HH TYR 10 -5.686 -3.777 -2.981 73 H GLU 11 H GLU 11 -1.334 3.913 -2.154 74 HA GLU 11 HA GLU 11 0.831 4.512 -3.895 75 HB2 GLU 11 HB2 GLU 11 -1.289 5.881 -3.612 76 HB3 GLU 11 HB3 GLU 11 -0.620 6.454 -2.072 77 HG2 GLU 11 HG2 GLU 11 1.241 7.477 -3.238 78 HG3 GLU 11 HG3 GLU 11 0.632 6.850 -4.789 79 H GLN 12 H GLN 12 0.353 4.861 -0.365 80 HA GLN 12 HA GLN 12 2.959 6.038 -0.086 81 HB2 GLN 12 HB2 GLN 12 0.891 5.227 1.958 82 HB3 GLN 12 HB3 GLN 12 2.401 6.030 2.353 83 HG2 GLN 12 HG2 GLN 12 0.595 7.254 0.341 84 HG3 GLN 12 HG3 GLN 12 0.195 7.377 2.047 85 HE21 GLN 12 HE21 GLN 12 3.482 7.293 0.881 86 HE22 GLN 12 HE22 GLN 12 3.865 8.933 1.275 87 H CYS 13 H CYS 13 1.684 2.817 0.080 88 HA CYS 13 HA CYS 13 3.415 1.730 2.000 89 HB2 CYS 13 HB2 CYS 13 2.885 -0.462 1.029 90 HB3 CYS 13 HB3 CYS 13 1.424 0.527 1.131 91 H ASN 14 H ASN 14 3.790 1.620 -1.568 92 HA ASN 14 HA ASN 14 6.480 0.704 -1.337 93 HB2 ASN 14 HB2 ASN 14 6.606 1.216 -3.817 94 HB3 ASN 14 HB3 ASN 14 5.390 0.054 -3.320 95 HD21 ASN 14 HD21 ASN 14 5.168 3.609 -3.152 96 HD22 ASN 14 HD22 ASN 14 3.839 3.723 -4.257 97 H VAL 15 H VAL 15 5.056 3.863 -1.388 98 HA VAL 15 HA VAL 15 7.396 5.306 -2.080 99 HB VAL 15 HB VAL 15 4.912 6.148 -0.588 100 HG11 VAL 15 HG11 VAL 15 5.696 8.463 -0.786 101 HG12 VAL 15 HG12 VAL 15 7.225 7.891 -1.449 102 HG13 VAL 15 HG13 VAL 15 6.788 7.505 0.214 103 HG21 VAL 15 HG21 VAL 15 5.949 6.854 -3.337 104 HG22 VAL 15 HG22 VAL 15 4.420 7.378 -2.626 105 HG23 VAL 15 HG23 VAL 15 4.683 5.675 -2.995 106 H ASN 16 H ASN 16 6.052 4.191 1.013 107 HA ASN 16 HA ASN 16 8.073 5.432 2.608 108 HB2 ASN 16 HB2 ASN 16 6.213 3.091 3.126 109 HB3 ASN 16 HB3 ASN 16 7.434 3.600 4.292 110 HD21 ASN 16 HD21 ASN 16 5.767 5.914 2.299 111 HD22 ASN 16 HD22 ASN 16 4.800 6.592 3.566 112 H LYS 17 H LYS 17 7.660 1.925 2.349 113 HA LYS 17 HA LYS 17 9.692 1.368 0.592 114 HB2 LYS 17 HB2 LYS 17 11.214 2.287 2.335 115 HB3 LYS 17 HB3 LYS 17 10.651 1.022 3.437 116 HG2 LYS 17 HG2 LYS 17 11.548 -0.699 1.986 117 HG3 LYS 17 HG3 LYS 17 12.036 0.520 0.802 118 HD2 LYS 17 HD2 LYS 17 13.594 1.504 2.360 119 HD3 LYS 17 HD3 LYS 17 13.062 0.413 3.658 120 HE2 LYS 17 HE2 LYS 17 13.877 -1.504 2.359 121 HE3 LYS 17 HE3 LYS 17 14.374 -0.421 1.059 122 HZ1 LYS 17 HZ1 LYS 17 15.895 0.652 2.637 123 HZ2 LYS 17 HZ2 LYS 17 16.259 -0.981 2.405 124 HZ3 LYS 17 HZ3 LYS 17 15.472 -0.482 3.816 125 H VAL 18 H VAL 18 7.869 -0.098 0.092 126 HA VAL 18 HA VAL 18 8.328 -2.633 1.454 127 HB VAL 18 HB VAL 18 6.180 -3.155 2.090 128 HG11 VAL 18 HG11 VAL 18 5.111 -1.326 3.265 129 HG12 VAL 18 HG12 VAL 18 6.053 -0.153 2.343 130 HG13 VAL 18 HG13 VAL 18 6.864 -1.256 3.457 131 HG21 VAL 18 HG21 VAL 18 5.164 -2.894 -0.077 132 HG22 VAL 18 HG22 VAL 18 5.089 -1.140 0.132 133 HG23 VAL 18 HG23 VAL 18 4.124 -2.198 1.169 134 HA PRO 19 HA PRO 19 7.998 -4.155 -2.769 135 HB2 PRO 19 HB2 PRO 19 7.120 -6.674 -1.497 136 HB3 PRO 19 HB3 PRO 19 8.511 -6.378 -2.555 137 HG2 PRO 19 HG2 PRO 19 8.834 -6.849 0.063 138 HG3 PRO 19 HG3 PRO 19 9.873 -5.718 -0.825 139 HD2 PRO 19 HD2 PRO 19 7.587 -5.118 1.022 140 HD3 PRO 19 HD3 PRO 19 9.148 -4.286 0.828 141 H PHE 20 H PHE 20 6.303 -4.634 -4.226 142 HA PHE 20 HA PHE 20 3.765 -3.681 -3.532 143 HB2 PHE 20 HB2 PHE 20 4.706 -3.798 -5.866 144 HB3 PHE 20 HB3 PHE 20 4.343 -5.519 -5.861 145 HD1 PHE 20 HD1 PHE 20 2.032 -6.309 -5.897 146 HD2 PHE 20 HD2 PHE 20 2.970 -2.161 -6.037 147 HE1 PHE 20 HE1 PHE 20 -0.260 -5.820 -6.649 148 HE2 PHE 20 HE2 PHE 20 0.681 -1.665 -6.786 149 HZ PHE 20 HZ PHE 20 -0.938 -3.494 -7.091 150 H ASP 21 H ASP 21 4.973 -6.998 -3.740 151 HA ASP 21 HA ASP 21 2.524 -8.311 -3.364 152 HB2 ASP 21 HB2 ASP 21 3.868 -10.245 -2.624 153 HB3 ASP 21 HB3 ASP 21 4.499 -9.528 -4.104 154 H GLN 22 H GLN 22 4.803 -6.945 -1.057 155 HA GLN 22 HA GLN 22 3.412 -7.845 1.264 156 HB2 GLN 22 HB2 GLN 22 5.740 -7.230 1.470 157 HB3 GLN 22 HB3 GLN 22 5.416 -5.612 0.856 158 HG2 GLN 22 HG2 GLN 22 4.020 -5.166 2.831 159 HG3 GLN 22 HG3 GLN 22 4.436 -6.766 3.455 160 HE21 GLN 22 HE21 GLN 22 7.177 -6.656 2.516 161 HE22 GLN 22 HE22 GLN 22 8.006 -5.557 3.565 162 H CYS 23 H CYS 23 3.334 -4.919 -0.714 163 HA CYS 23 HA CYS 23 1.611 -3.390 0.902 164 HB2 CYS 23 HB2 CYS 23 2.830 -2.559 -1.169 165 HB3 CYS 23 HB3 CYS 23 1.605 -3.390 -2.132 166 H TYR 24 H TYR 24 0.966 -5.838 -1.544 167 HA TYR 24 HA TYR 24 -1.852 -5.698 -1.471 168 HB2 TYR 24 HB2 TYR 24 -0.681 -6.810 -3.302 169 HB3 TYR 24 HB3 TYR 24 -0.009 -8.002 -2.178 170 HD1 TYR 24 HD1 TYR 24 -3.281 -6.725 -3.441 171 HD2 TYR 24 HD2 TYR 24 -1.097 -10.016 -1.869 172 HE1 TYR 24 HE1 TYR 24 -5.211 -8.185 -3.829 173 HE2 TYR 24 HE2 TYR 24 -3.019 -11.488 -2.261 174 HH TYR 24 HH TYR 24 -5.669 -10.589 -4.175 175 H GLN 25 H GLN 25 0.369 -6.904 0.834 176 HA GLN 25 HA GLN 25 -1.470 -8.854 1.939 177 HB2 GLN 25 HB2 GLN 25 1.172 -7.773 2.979 178 HB3 GLN 25 HB3 GLN 25 0.227 -9.000 3.809 179 HG2 GLN 25 HG2 GLN 25 0.515 -10.517 1.887 180 HG3 GLN 25 HG3 GLN 25 1.464 -9.287 1.057 181 HE21 GLN 25 HE21 GLN 25 1.641 -9.877 4.502 182 HE22 GLN 25 HE22 GLN 25 3.248 -10.519 4.495 183 H MET 26 H MET 26 -0.355 -5.597 2.644 184 HA MET 26 HA MET 26 -1.887 -5.476 5.097 185 HB2 MET 26 HB2 MET 26 0.245 -4.445 5.202 186 HB3 MET 26 HB3 MET 26 -0.010 -3.603 3.684 187 HG2 MET 26 HG2 MET 26 -1.726 -2.203 4.772 188 HG3 MET 26 HG3 MET 26 -1.382 -3.014 6.301 189 HE1 MET 26 HE1 MET 26 0.243 -0.934 3.374 190 HE2 MET 26 HE2 MET 26 1.472 -2.167 3.661 191 HE3 MET 26 HE3 MET 26 1.795 -0.487 4.078 192 H CYS 27 H CYS 27 -1.998 -3.996 1.866 193 HA CYS 27 HA CYS 27 -4.162 -2.249 2.655 194 HB2 CYS 27 HB2 CYS 27 -2.991 -2.705 -0.109 195 HB3 CYS 27 HB3 CYS 27 -4.057 -1.376 0.386 196 H SER 28 H SER 28 -4.009 -5.444 1.403 197 HA SER 28 HA SER 28 -6.242 -5.374 -0.277 198 HB2 SER 28 HB2 SER 28 -6.341 -7.869 0.052 199 HB3 SER 28 HB3 SER 28 -4.796 -7.227 -0.517 200 HG SER 28 HG SER 28 -3.901 -8.031 1.179 201 HA PRO 29 HA PRO 29 -8.965 -6.811 3.557 202 HB2 PRO 29 HB2 PRO 29 -7.511 -5.260 5.642 203 HB3 PRO 29 HB3 PRO 29 -8.364 -6.811 5.782 204 HG2 PRO 29 HG2 PRO 29 -5.714 -6.777 5.745 205 HG3 PRO 29 HG3 PRO 29 -6.606 -8.017 4.824 206 HD2 PRO 29 HD2 PRO 29 -5.273 -5.506 3.829 207 HD3 PRO 29 HD3 PRO 29 -5.297 -7.136 3.109 208 H LEU 30 H LEU 30 -7.387 -3.781 3.037 209 HA LEU 30 HA LEU 30 -9.573 -2.138 3.963 210 HB2 LEU 30 HB2 LEU 30 -7.073 -1.530 3.945 211 HB3 LEU 30 HB3 LEU 30 -7.255 -1.323 2.194 212 HG LEU 30 HG LEU 30 -8.665 0.304 4.341 213 HD11 LEU 30 HD11 LEU 30 -6.397 0.940 2.461 214 HD12 LEU 30 HD12 LEU 30 -6.313 0.825 4.221 215 HD13 LEU 30 HD13 LEU 30 -7.235 2.125 3.462 216 HD21 LEU 30 HD21 LEU 30 -8.662 0.688 1.341 217 HD22 LEU 30 HD22 LEU 30 -9.461 1.714 2.534 218 HD23 LEU 30 HD23 LEU 30 -10.014 0.056 2.279 219 H GLU 31 H GLU 31 -8.046 -2.832 0.851 220 HA GLU 31 HA GLU 31 -10.005 -1.478 -0.687 221 HB2 GLU 31 HB2 GLU 31 -7.663 -1.842 -1.434 222 HB3 GLU 31 HB3 GLU 31 -8.000 -3.572 -1.572 223 HG2 GLU 31 HG2 GLU 31 -9.607 -3.153 -3.330 224 HG3 GLU 31 HG3 GLU 31 -9.385 -1.408 -3.159 225 H ARG 32 H ARG 32 -9.614 -4.821 0.286 226 HA ARG 32 HA ARG 32 -12.358 -5.329 -0.621 227 HB2 ARG 32 HB2 ARG 32 -10.003 -7.211 -1.017 228 HB3 ARG 32 HB3 ARG 32 -11.688 -7.661 -1.277 229 HG2 ARG 32 HG2 ARG 32 -10.297 -5.450 -2.814 230 HG3 ARG 32 HG3 ARG 32 -10.354 -7.123 -3.366 231 HD2 ARG 32 HD2 ARG 32 -12.632 -5.172 -3.047 232 HD3 ARG 32 HD3 ARG 32 -12.096 -6.017 -4.492 233 HE ARG 32 HE ARG 32 -12.813 -8.053 -2.892 234 HH11 ARG 32 HH11 ARG 32 -14.459 -5.105 -3.817 235 HH12 ARG 32 HH12 ARG 32 -16.041 -5.807 -3.714 236 HH21 ARG 32 HH21 ARG 32 -14.890 -8.978 -2.748 237 HH22 ARG 32 HH22 ARG 32 -16.289 -8.013 -3.108 238 H SER 33 H SER 33 -13.086 -5.114 1.459 239 HA SER 33 HA SER 33 -11.839 -6.550 3.634 240 HB2 SER 33 HB2 SER 33 -14.517 -5.132 3.700 241 HB3 SER 33 HB3 SER 33 -13.433 -5.468 5.052 242 HG SER 33 HG SER 33 -11.878 -4.105 3.765 Start of MODEL 7 1 HA ALA 1 HA ALA 1 -16.327 0.992 -1.115 2 HB1 ALA 1 HB1 ALA 1 -17.670 2.457 -2.543 3 HB2 ALA 1 HB2 ALA 1 -15.946 2.771 -2.738 4 HB3 ALA 1 HB3 ALA 1 -16.939 3.869 -1.781 5 H SER 2 H SER 2 -14.074 1.958 -1.626 6 HA SER 2 HA SER 2 -13.007 3.790 0.318 7 HB2 SER 2 HB2 SER 2 -11.420 2.035 1.296 8 HB3 SER 2 HB3 SER 2 -13.108 1.856 1.784 9 HG SER 2 HG SER 2 -11.927 0.464 -0.394 10 HA PRO 3 HA PRO 3 -10.662 2.843 -3.713 11 HB2 PRO 3 HB2 PRO 3 -11.097 5.193 -5.028 12 HB3 PRO 3 HB3 PRO 3 -12.155 3.773 -5.200 13 HG2 PRO 3 HG2 PRO 3 -12.518 6.247 -3.567 14 HG3 PRO 3 HG3 PRO 3 -13.718 5.317 -4.485 15 HD2 PRO 3 HD2 PRO 3 -13.412 5.156 -1.745 16 HD3 PRO 3 HD3 PRO 3 -14.040 3.806 -2.732 17 H GLN 4 H GLN 4 -10.899 6.109 -2.290 18 HA GLN 4 HA GLN 4 -8.245 6.814 -2.989 19 HB2 GLN 4 HB2 GLN 4 -10.195 8.034 -1.039 20 HB3 GLN 4 HB3 GLN 4 -8.601 8.712 -1.348 21 HG2 GLN 4 HG2 GLN 4 -10.483 8.207 -3.626 22 HG3 GLN 4 HG3 GLN 4 -10.652 9.653 -2.634 23 HE21 GLN 4 HE21 GLN 4 -7.492 8.314 -3.167 24 HE22 GLN 4 HE22 GLN 4 -6.939 9.547 -4.245 25 H GLN 5 H GLN 5 -9.706 5.549 -0.064 26 HA GLN 5 HA GLN 5 -7.455 5.752 1.610 27 HB2 GLN 5 HB2 GLN 5 -9.760 3.811 1.625 28 HB3 GLN 5 HB3 GLN 5 -8.520 3.821 2.863 29 HG2 GLN 5 HG2 GLN 5 -9.162 6.014 3.585 30 HG3 GLN 5 HG3 GLN 5 -10.265 6.196 2.224 31 HE21 GLN 5 HE21 GLN 5 -9.922 3.211 4.004 32 HE22 GLN 5 HE22 GLN 5 -11.488 3.247 4.739 33 H ALA 6 H ALA 6 -8.543 3.171 -0.540 34 HA ALA 6 HA ALA 6 -6.424 1.391 0.055 35 HB1 ALA 6 HB1 ALA 6 -7.080 0.198 -1.967 36 HB2 ALA 6 HB2 ALA 6 -8.094 1.558 -2.452 37 HB3 ALA 6 HB3 ALA 6 -8.494 0.632 -1.003 38 H LYS 7 H LYS 7 -6.863 3.888 -2.404 39 HA LYS 7 HA LYS 7 -4.494 3.331 -3.839 40 HB2 LYS 7 HB2 LYS 7 -6.443 4.735 -4.635 41 HB3 LYS 7 HB3 LYS 7 -5.853 6.023 -3.597 42 HG2 LYS 7 HG2 LYS 7 -5.121 6.439 -5.835 43 HG3 LYS 7 HG3 LYS 7 -3.708 5.997 -4.840 44 HD2 LYS 7 HD2 LYS 7 -3.772 3.718 -5.723 45 HD3 LYS 7 HD3 LYS 7 -5.235 4.084 -6.645 46 HE2 LYS 7 HE2 LYS 7 -2.495 5.293 -7.050 47 HE3 LYS 7 HE3 LYS 7 -3.297 4.145 -8.118 48 HZ1 LYS 7 HZ1 LYS 7 -4.172 6.923 -7.547 49 HZ2 LYS 7 HZ2 LYS 7 -5.027 5.821 -8.497 50 HZ3 LYS 7 HZ3 LYS 7 -3.502 6.354 -8.990 51 H TYR 8 H TYR 8 -5.211 5.432 -1.101 52 HA TYR 8 HA TYR 8 -2.680 6.650 -0.862 53 HB2 TYR 8 HB2 TYR 8 -4.697 7.481 0.299 54 HB3 TYR 8 HB3 TYR 8 -4.727 6.019 1.283 55 HD1 TYR 8 HD1 TYR 8 -3.467 5.858 3.256 56 HD2 TYR 8 HD2 TYR 8 -2.748 9.061 0.555 57 HE1 TYR 8 HE1 TYR 8 -2.053 6.948 4.942 58 HE2 TYR 8 HE2 TYR 8 -1.331 10.166 2.235 59 HH TYR 8 HH TYR 8 -0.942 10.193 4.584 60 H CYS 9 H CYS 9 -4.046 3.694 0.514 61 HA CYS 9 HA CYS 9 -1.912 2.990 2.189 62 HB2 CYS 9 HB2 CYS 9 -4.223 1.926 2.105 63 HB3 CYS 9 HB3 CYS 9 -3.672 1.024 0.687 64 H TYR 10 H TYR 10 -2.553 2.165 -1.200 65 HA TYR 10 HA TYR 10 -0.191 0.603 -1.501 66 HB2 TYR 10 HB2 TYR 10 -2.213 1.713 -3.441 67 HB3 TYR 10 HB3 TYR 10 -0.738 0.917 -4.006 68 HD1 TYR 10 HD1 TYR 10 -4.067 0.430 -2.680 69 HD2 TYR 10 HD2 TYR 10 -0.301 -1.439 -3.324 70 HE1 TYR 10 HE1 TYR 10 -5.116 -1.771 -2.424 71 HE2 TYR 10 HE2 TYR 10 -1.341 -3.635 -3.070 72 HH TYR 10 HH TYR 10 -4.683 -4.113 -3.122 73 H GLU 11 H GLU 11 -0.979 3.992 -2.219 74 HA GLU 11 HA GLU 11 1.378 4.516 -3.673 75 HB2 GLU 11 HB2 GLU 11 -0.624 6.014 -3.690 76 HB3 GLU 11 HB3 GLU 11 -0.222 6.507 -2.029 77 HG2 GLU 11 HG2 GLU 11 2.009 7.267 -2.913 78 HG3 GLU 11 HG3 GLU 11 1.364 6.991 -4.548 79 H GLN 12 H GLN 12 0.603 4.843 -0.210 80 HA GLN 12 HA GLN 12 3.068 6.076 0.430 81 HB2 GLN 12 HB2 GLN 12 0.982 4.698 2.116 82 HB3 GLN 12 HB3 GLN 12 2.437 5.401 2.807 83 HG2 GLN 12 HG2 GLN 12 0.681 7.028 1.036 84 HG3 GLN 12 HG3 GLN 12 0.258 6.773 2.724 85 HE21 GLN 12 HE21 GLN 12 3.584 6.918 1.750 86 HE22 GLN 12 HE22 GLN 12 3.923 8.469 2.436 87 H CYS 13 H CYS 13 2.157 2.804 -0.109 88 HA CYS 13 HA CYS 13 4.112 1.513 1.398 89 HB2 CYS 13 HB2 CYS 13 2.701 0.735 -1.150 90 HB3 CYS 13 HB3 CYS 13 3.960 -0.286 -0.448 91 H ASN 14 H ASN 14 4.315 2.613 -2.022 92 HA ASN 14 HA ASN 14 7.093 1.865 -2.118 93 HB2 ASN 14 HB2 ASN 14 7.084 2.930 -4.366 94 HB3 ASN 14 HB3 ASN 14 5.814 1.733 -4.162 95 HD21 ASN 14 HD21 ASN 14 6.466 5.207 -4.362 96 HD22 ASN 14 HD22 ASN 14 4.836 5.654 -4.744 97 H VAL 15 H VAL 15 5.297 4.765 -1.415 98 HA VAL 15 HA VAL 15 7.391 6.624 -1.627 99 HB VAL 15 HB VAL 15 4.985 6.647 0.208 100 HG11 VAL 15 HG11 VAL 15 6.925 8.881 -0.409 101 HG12 VAL 15 HG12 VAL 15 6.754 8.055 1.139 102 HG13 VAL 15 HG13 VAL 15 5.434 9.045 0.516 103 HG21 VAL 15 HG21 VAL 15 4.091 8.281 -1.398 104 HG22 VAL 15 HG22 VAL 15 4.426 6.734 -2.175 105 HG23 VAL 15 HG23 VAL 15 5.533 8.088 -2.393 106 H ASN 16 H ASN 16 6.314 4.597 1.101 107 HA ASN 16 HA ASN 16 8.432 5.629 2.781 108 HB2 ASN 16 HB2 ASN 16 6.516 3.312 3.225 109 HB3 ASN 16 HB3 ASN 16 7.608 3.986 4.442 110 HD21 ASN 16 HD21 ASN 16 4.690 3.816 4.544 111 HD22 ASN 16 HD22 ASN 16 4.128 5.445 4.702 112 H LYS 17 H LYS 17 7.682 2.184 2.297 113 HA LYS 17 HA LYS 17 9.639 1.503 0.512 114 HB2 LYS 17 HB2 LYS 17 11.257 2.293 2.228 115 HB3 LYS 17 HB3 LYS 17 10.652 1.035 3.319 116 HG2 LYS 17 HG2 LYS 17 11.416 -0.700 1.831 117 HG3 LYS 17 HG3 LYS 17 11.886 0.495 0.616 118 HD2 LYS 17 HD2 LYS 17 13.615 1.370 2.017 119 HD3 LYS 17 HD3 LYS 17 13.078 0.399 3.406 120 HE2 LYS 17 HE2 LYS 17 14.192 -0.665 0.798 121 HE3 LYS 17 HE3 LYS 17 15.058 -0.576 2.331 122 HZ1 LYS 17 HZ1 LYS 17 13.416 -2.087 3.286 123 HZ2 LYS 17 HZ2 LYS 17 14.198 -2.787 1.960 124 HZ3 LYS 17 HZ3 LYS 17 12.626 -2.195 1.793 125 H VAL 18 H VAL 18 7.768 0.126 -0.007 126 HA VAL 18 HA VAL 18 8.110 -2.470 1.171 127 HB VAL 18 HB VAL 18 6.488 -2.394 2.721 128 HG11 VAL 18 HG11 VAL 18 6.511 0.021 2.771 129 HG12 VAL 18 HG12 VAL 18 4.856 -0.569 2.945 130 HG13 VAL 18 HG13 VAL 18 5.407 0.086 1.402 131 HG21 VAL 18 HG21 VAL 18 5.303 -3.629 0.962 132 HG22 VAL 18 HG22 VAL 18 4.604 -2.122 0.376 133 HG23 VAL 18 HG23 VAL 18 4.183 -2.721 1.982 134 HA PRO 19 HA PRO 19 7.297 -3.575 -3.063 135 HB2 PRO 19 HB2 PRO 19 6.732 -6.217 -1.838 136 HB3 PRO 19 HB3 PRO 19 7.887 -5.794 -3.114 137 HG2 PRO 19 HG2 PRO 19 8.735 -6.370 -0.657 138 HG3 PRO 19 HG3 PRO 19 9.497 -5.089 -1.620 139 HD2 PRO 19 HD2 PRO 19 7.561 -4.840 0.658 140 HD3 PRO 19 HD3 PRO 19 8.984 -3.851 0.246 141 H PHE 20 H PHE 20 5.559 -4.165 -4.376 142 HA PHE 20 HA PHE 20 3.024 -3.385 -3.506 143 HB2 PHE 20 HB2 PHE 20 3.799 -3.329 -5.873 144 HB3 PHE 20 HB3 PHE 20 3.653 -5.081 -5.928 145 HD1 PHE 20 HD1 PHE 20 1.822 -1.919 -5.761 146 HD2 PHE 20 HD2 PHE 20 1.505 -6.152 -6.064 147 HE1 PHE 20 HE1 PHE 20 -0.538 -1.691 -6.418 148 HE2 PHE 20 HE2 PHE 20 -0.855 -5.932 -6.725 149 HZ PHE 20 HZ PHE 20 -1.880 -3.700 -6.902 150 H ASP 21 H ASP 21 4.407 -6.629 -3.856 151 HA ASP 21 HA ASP 21 1.974 -8.018 -3.492 152 HB2 ASP 21 HB2 ASP 21 3.357 -10.002 -3.044 153 HB3 ASP 21 HB3 ASP 21 3.892 -9.143 -4.482 154 H GLN 22 H GLN 22 4.500 -7.073 -1.173 155 HA GLN 22 HA GLN 22 3.132 -8.084 1.100 156 HB2 GLN 22 HB2 GLN 22 5.487 -7.678 1.262 157 HB3 GLN 22 HB3 GLN 22 5.292 -5.990 0.809 158 HG2 GLN 22 HG2 GLN 22 5.695 -6.131 3.157 159 HG3 GLN 22 HG3 GLN 22 4.023 -5.618 2.894 160 HE21 GLN 22 HE21 GLN 22 6.099 -8.175 4.001 161 HE22 GLN 22 HE22 GLN 22 4.862 -9.101 4.784 162 H CYS 23 H CYS 23 3.127 -4.977 -0.585 163 HA CYS 23 HA CYS 23 1.546 -3.555 1.258 164 HB2 CYS 23 HB2 CYS 23 2.720 -2.602 -0.816 165 HB3 CYS 23 HB3 CYS 23 1.337 -3.196 -1.736 166 H TYR 24 H TYR 24 0.650 -5.636 -1.465 167 HA TYR 24 HA TYR 24 -2.122 -5.423 -1.259 168 HB2 TYR 24 HB2 TYR 24 -0.920 -6.633 -3.107 169 HB3 TYR 24 HB3 TYR 24 -0.576 -7.941 -1.963 170 HD1 TYR 24 HD1 TYR 24 -3.218 -6.231 -3.866 171 HD2 TYR 24 HD2 TYR 24 -2.290 -9.490 -1.302 172 HE1 TYR 24 HE1 TYR 24 -5.387 -7.256 -4.391 173 HE2 TYR 24 HE2 TYR 24 -4.450 -10.526 -1.821 174 HH TYR 24 HH TYR 24 -6.427 -9.484 -4.380 175 H GLN 25 H GLN 25 0.176 -7.223 0.674 176 HA GLN 25 HA GLN 25 -1.711 -9.020 1.828 177 HB2 GLN 25 HB2 GLN 25 1.020 -8.111 2.795 178 HB3 GLN 25 HB3 GLN 25 0.075 -9.352 3.597 179 HG2 GLN 25 HG2 GLN 25 0.210 -10.765 1.586 180 HG3 GLN 25 HG3 GLN 25 1.143 -9.519 0.763 181 HE21 GLN 25 HE21 GLN 25 2.916 -10.814 0.475 182 HE22 GLN 25 HE22 GLN 25 3.954 -11.283 1.779 183 H MET 26 H MET 26 -0.555 -5.823 2.649 184 HA MET 26 HA MET 26 -1.980 -5.840 5.174 185 HB2 MET 26 HB2 MET 26 0.159 -4.809 5.255 186 HB3 MET 26 HB3 MET 26 -0.171 -3.867 3.812 187 HG2 MET 26 HG2 MET 26 -1.866 -2.581 5.067 188 HG3 MET 26 HG3 MET 26 -1.442 -3.489 6.518 189 HE1 MET 26 HE1 MET 26 1.279 -2.397 3.835 190 HE2 MET 26 HE2 MET 26 1.586 -0.742 4.351 191 HE3 MET 26 HE3 MET 26 0.014 -1.179 3.683 192 H CYS 27 H CYS 27 -2.180 -4.166 2.040 193 HA CYS 27 HA CYS 27 -4.351 -2.506 2.969 194 HB2 CYS 27 HB2 CYS 27 -3.298 -2.809 0.136 195 HB3 CYS 27 HB3 CYS 27 -4.319 -1.500 0.764 196 H SER 28 H SER 28 -4.205 -5.647 1.554 197 HA SER 28 HA SER 28 -6.500 -5.580 -0.020 198 HB2 SER 28 HB2 SER 28 -6.625 -8.097 0.411 199 HB3 SER 28 HB3 SER 28 -5.153 -7.470 -0.342 200 HG SER 28 HG SER 28 -4.037 -7.910 1.420 201 HA PRO 29 HA PRO 29 -9.102 -7.045 3.916 202 HB2 PRO 29 HB2 PRO 29 -7.540 -5.448 5.898 203 HB3 PRO 29 HB3 PRO 29 -8.428 -6.968 6.129 204 HG2 PRO 29 HG2 PRO 29 -5.790 -7.027 5.967 205 HG3 PRO 29 HG3 PRO 29 -6.758 -8.255 5.108 206 HD2 PRO 29 HD2 PRO 29 -5.378 -5.815 4.011 207 HD3 PRO 29 HD3 PRO 29 -5.515 -7.449 3.314 208 H LEU 30 H LEU 30 -7.505 -3.963 3.547 209 HA LEU 30 HA LEU 30 -9.648 -2.315 4.458 210 HB2 LEU 30 HB2 LEU 30 -7.152 -1.717 4.221 211 HB3 LEU 30 HB3 LEU 30 -7.477 -1.554 2.487 212 HG LEU 30 HG LEU 30 -8.677 0.139 4.709 213 HD11 LEU 30 HD11 LEU 30 -6.627 0.739 2.576 214 HD12 LEU 30 HD12 LEU 30 -6.336 0.628 4.311 215 HD13 LEU 30 HD13 LEU 30 -7.335 1.930 3.667 216 HD21 LEU 30 HD21 LEU 30 -8.983 0.429 1.712 217 HD22 LEU 30 HD22 LEU 30 -9.646 1.502 2.947 218 HD23 LEU 30 HD23 LEU 30 -10.235 -0.157 2.809 219 H GLU 31 H GLU 31 -8.418 -3.220 1.277 220 HA GLU 31 HA GLU 31 -10.411 -1.761 -0.147 221 HB2 GLU 31 HB2 GLU 31 -8.037 -2.373 -0.917 222 HB3 GLU 31 HB3 GLU 31 -8.697 -3.975 -1.276 223 HG2 GLU 31 HG2 GLU 31 -9.741 -1.413 -2.495 224 HG3 GLU 31 HG3 GLU 31 -8.510 -2.437 -3.240 225 H ARG 32 H ARG 32 -9.927 -5.234 0.516 226 HA ARG 32 HA ARG 32 -12.778 -5.635 0.062 227 HB2 ARG 32 HB2 ARG 32 -11.442 -6.023 -2.120 228 HB3 ARG 32 HB3 ARG 32 -10.765 -7.434 -1.301 229 HG2 ARG 32 HG2 ARG 32 -12.560 -8.206 -2.679 230 HG3 ARG 32 HG3 ARG 32 -13.099 -8.302 -1.001 231 HD2 ARG 32 HD2 ARG 32 -14.643 -7.305 -2.889 232 HD3 ARG 32 HD3 ARG 32 -14.656 -6.634 -1.263 233 HE ARG 32 HE ARG 32 -12.764 -5.161 -2.549 234 HH11 ARG 32 HH11 ARG 32 -16.098 -5.937 -3.289 235 HH12 ARG 32 HH12 ARG 32 -16.387 -4.441 -4.115 236 HH21 ARG 32 HH21 ARG 32 -13.130 -3.206 -3.623 237 HH22 ARG 32 HH22 ARG 32 -14.702 -2.883 -4.304 238 H SER 33 H SER 33 -13.592 -6.937 1.578 239 HA SER 33 HA SER 33 -11.934 -9.027 2.754 240 HB2 SER 33 HB2 SER 33 -11.592 -6.888 4.104 241 HB3 SER 33 HB3 SER 33 -13.296 -6.994 4.544 242 HG SER 33 HG SER 33 -12.894 -8.660 5.805 Start of MODEL 8 1 HA ALA 1 HA ALA 1 -17.085 3.253 -0.406 2 HB1 ALA 1 HB1 ALA 1 -18.654 4.875 0.459 3 HB2 ALA 1 HB2 ALA 1 -18.196 4.474 2.114 4 HB3 ALA 1 HB3 ALA 1 -19.026 3.280 1.117 5 H SER 2 H SER 2 -14.527 3.414 -0.022 6 HA SER 2 HA SER 2 -13.930 6.210 -0.159 7 HB2 SER 2 HB2 SER 2 -13.987 5.786 2.360 8 HB3 SER 2 HB3 SER 2 -12.615 4.703 2.126 9 HG SER 2 HG SER 2 -12.747 7.491 1.919 10 HA PRO 3 HA PRO 3 -11.346 3.070 -2.565 11 HB2 PRO 3 HB2 PRO 3 -11.798 5.241 -4.564 12 HB3 PRO 3 HB3 PRO 3 -11.803 3.476 -4.790 13 HG2 PRO 3 HG2 PRO 3 -14.090 4.791 -4.748 14 HG3 PRO 3 HG3 PRO 3 -13.935 3.246 -3.885 15 HD2 PRO 3 HD2 PRO 3 -13.910 6.041 -2.744 16 HD3 PRO 3 HD3 PRO 3 -14.692 4.558 -2.115 17 H GLN 4 H GLN 4 -11.197 6.527 -2.015 18 HA GLN 4 HA GLN 4 -8.580 6.909 -3.016 19 HB2 GLN 4 HB2 GLN 4 -10.192 8.748 -2.750 20 HB3 GLN 4 HB3 GLN 4 -10.123 8.550 -1.003 21 HG2 GLN 4 HG2 GLN 4 -8.699 10.340 -1.360 22 HG3 GLN 4 HG3 GLN 4 -7.588 8.973 -1.295 23 HE21 GLN 4 HE21 GLN 4 -8.416 8.098 -4.041 24 HE22 GLN 4 HE22 GLN 4 -7.610 9.195 -5.108 25 H GLN 5 H GLN 5 -9.857 6.145 0.189 26 HA GLN 5 HA GLN 5 -7.393 6.455 1.543 27 HB2 GLN 5 HB2 GLN 5 -8.414 5.585 3.442 28 HB3 GLN 5 HB3 GLN 5 -9.772 6.255 2.556 29 HG2 GLN 5 HG2 GLN 5 -10.333 4.020 1.729 30 HG3 GLN 5 HG3 GLN 5 -8.967 3.356 2.621 31 HE21 GLN 5 HE21 GLN 5 -11.004 5.924 3.847 32 HE22 GLN 5 HE22 GLN 5 -11.749 4.994 5.105 33 H ALA 6 H ALA 6 -8.852 3.837 -0.201 34 HA ALA 6 HA ALA 6 -6.924 1.859 0.458 35 HB1 ALA 6 HB1 ALA 6 -8.757 2.105 -1.922 36 HB2 ALA 6 HB2 ALA 6 -9.029 1.151 -0.464 37 HB3 ALA 6 HB3 ALA 6 -7.746 0.704 -1.589 38 H LYS 7 H LYS 7 -7.232 4.163 -2.220 39 HA LYS 7 HA LYS 7 -4.926 3.364 -3.615 40 HB2 LYS 7 HB2 LYS 7 -6.575 4.812 -4.667 41 HB3 LYS 7 HB3 LYS 7 -6.259 6.078 -3.488 42 HG2 LYS 7 HG2 LYS 7 -5.193 6.567 -5.622 43 HG3 LYS 7 HG3 LYS 7 -3.991 6.339 -4.326 44 HD2 LYS 7 HD2 LYS 7 -3.651 4.001 -5.107 45 HD3 LYS 7 HD3 LYS 7 -4.783 4.293 -6.432 46 HE2 LYS 7 HE2 LYS 7 -2.147 5.705 -5.969 47 HE3 LYS 7 HE3 LYS 7 -2.486 4.518 -7.229 48 HZ1 LYS 7 HZ1 LYS 7 -4.091 6.050 -8.185 49 HZ2 LYS 7 HZ2 LYS 7 -2.566 6.771 -8.082 50 HZ3 LYS 7 HZ3 LYS 7 -3.770 7.186 -6.973 51 H TYR 8 H TYR 8 -5.398 5.631 -0.957 52 HA TYR 8 HA TYR 8 -2.803 6.702 -0.881 53 HB2 TYR 8 HB2 TYR 8 -4.834 7.534 0.388 54 HB3 TYR 8 HB3 TYR 8 -4.571 6.204 1.520 55 HD1 TYR 8 HD1 TYR 8 -3.068 9.288 0.146 56 HD2 TYR 8 HD2 TYR 8 -2.964 6.380 3.246 57 HE1 TYR 8 HE1 TYR 8 -1.510 10.707 1.413 58 HE2 TYR 8 HE2 TYR 8 -1.407 7.787 4.524 59 HH TYR 8 HH TYR 8 -0.702 11.055 3.599 60 H CYS 9 H CYS 9 -4.188 3.792 0.526 61 HA CYS 9 HA CYS 9 -1.964 3.000 2.074 62 HB2 CYS 9 HB2 CYS 9 -4.291 2.050 2.255 63 HB3 CYS 9 HB3 CYS 9 -4.006 1.171 0.747 64 H TYR 10 H TYR 10 -2.948 2.140 -1.230 65 HA TYR 10 HA TYR 10 -0.679 0.478 -1.724 66 HB2 TYR 10 HB2 TYR 10 -2.760 1.710 -3.547 67 HB3 TYR 10 HB3 TYR 10 -1.436 0.713 -4.150 68 HD1 TYR 10 HD1 TYR 10 -4.684 0.722 -2.526 69 HD2 TYR 10 HD2 TYR 10 -1.305 -1.674 -3.507 70 HE1 TYR 10 HE1 TYR 10 -6.016 -1.298 -2.165 71 HE2 TYR 10 HE2 TYR 10 -2.636 -3.699 -3.142 72 HH TYR 10 HH TYR 10 -6.020 -3.658 -2.863 73 H GLU 11 H GLU 11 -1.228 3.882 -1.957 74 HA GLU 11 HA GLU 11 0.907 4.337 -3.827 75 HB2 GLU 11 HB2 GLU 11 -1.258 5.743 -3.477 76 HB3 GLU 11 HB3 GLU 11 -0.373 6.479 -2.128 77 HG2 GLU 11 HG2 GLU 11 0.549 6.469 -5.005 78 HG3 GLU 11 HG3 GLU 11 -0.321 7.796 -4.213 79 H GLN 12 H GLN 12 0.415 4.909 -0.325 80 HA GLN 12 HA GLN 12 3.033 6.068 -0.067 81 HB2 GLN 12 HB2 GLN 12 0.981 5.315 2.020 82 HB3 GLN 12 HB3 GLN 12 2.476 6.171 2.344 83 HG2 GLN 12 HG2 GLN 12 0.528 7.211 0.351 84 HG3 GLN 12 HG3 GLN 12 0.321 7.506 2.071 85 HE21 GLN 12 HE21 GLN 12 2.194 8.195 -0.750 86 HE22 GLN 12 HE22 GLN 12 3.116 9.497 -0.056 87 H CYS 13 H CYS 13 1.782 2.878 0.098 88 HA CYS 13 HA CYS 13 3.437 1.761 2.068 89 HB2 CYS 13 HB2 CYS 13 2.921 -0.408 1.005 90 HB3 CYS 13 HB3 CYS 13 1.467 0.592 1.125 91 H ASN 14 H ASN 14 3.900 1.809 -1.474 92 HA ASN 14 HA ASN 14 6.563 0.781 -1.268 93 HB2 ASN 14 HB2 ASN 14 6.740 1.282 -3.677 94 HB3 ASN 14 HB3 ASN 14 5.270 0.394 -3.307 95 HD21 ASN 14 HD21 ASN 14 3.232 1.525 -3.470 96 HD22 ASN 14 HD22 ASN 14 3.122 3.017 -4.339 97 H VAL 15 H VAL 15 5.166 3.970 -1.282 98 HA VAL 15 HA VAL 15 7.469 5.451 -1.912 99 HB VAL 15 HB VAL 15 5.049 6.196 -0.263 100 HG11 VAL 15 HG11 VAL 15 6.930 7.570 0.466 101 HG12 VAL 15 HG12 VAL 15 5.793 8.533 -0.477 102 HG13 VAL 15 HG13 VAL 15 7.298 7.979 -1.210 103 HG21 VAL 15 HG21 VAL 15 5.897 6.966 -3.059 104 HG22 VAL 15 HG22 VAL 15 4.423 7.478 -2.240 105 HG23 VAL 15 HG23 VAL 15 4.656 5.782 -2.655 106 H ASN 16 H ASN 16 6.207 4.261 1.198 107 HA ASN 16 HA ASN 16 8.342 5.380 2.725 108 HB2 ASN 16 HB2 ASN 16 6.520 3.019 3.312 109 HB3 ASN 16 HB3 ASN 16 7.670 3.702 4.465 110 HD21 ASN 16 HD21 ASN 16 7.177 6.440 3.547 111 HD22 ASN 16 HD22 ASN 16 5.636 6.876 4.204 112 H LYS 17 H LYS 17 7.791 1.887 2.390 113 HA LYS 17 HA LYS 17 9.739 1.321 0.537 114 HB2 LYS 17 HB2 LYS 17 11.359 2.146 2.235 115 HB3 LYS 17 HB3 LYS 17 10.807 0.870 3.331 116 HG2 LYS 17 HG2 LYS 17 11.618 -0.842 1.835 117 HG3 LYS 17 HG3 LYS 17 12.037 0.370 0.618 118 HD2 LYS 17 HD2 LYS 17 13.718 1.333 2.043 119 HD3 LYS 17 HD3 LYS 17 13.251 0.283 3.399 120 HE2 LYS 17 HE2 LYS 17 13.926 -1.681 2.061 121 HE3 LYS 17 HE3 LYS 17 14.415 -0.610 0.750 122 HZ1 LYS 17 HZ1 LYS 17 16.309 -1.279 2.074 123 HZ2 LYS 17 HZ2 LYS 17 15.591 -0.660 3.474 124 HZ3 LYS 17 HZ3 LYS 17 16.052 0.385 2.231 125 H VAL 18 H VAL 18 7.881 -0.099 0.052 126 HA VAL 18 HA VAL 18 8.330 -2.662 1.368 127 HB VAL 18 HB VAL 18 6.148 -3.186 1.936 128 HG11 VAL 18 HG11 VAL 18 6.946 -1.406 3.419 129 HG12 VAL 18 HG12 VAL 18 5.190 -1.410 3.265 130 HG13 VAL 18 HG13 VAL 18 6.146 -0.203 2.403 131 HG21 VAL 18 HG21 VAL 18 5.150 -0.983 0.141 132 HG22 VAL 18 HG22 VAL 18 4.142 -2.082 1.086 133 HG23 VAL 18 HG23 VAL 18 5.159 -2.712 -0.212 134 HA PRO 19 HA PRO 19 7.991 -4.115 -2.862 135 HB2 PRO 19 HB2 PRO 19 7.123 -6.666 -1.669 136 HB3 PRO 19 HB3 PRO 19 8.536 -6.329 -2.686 137 HG2 PRO 19 HG2 PRO 19 8.784 -6.867 -0.064 138 HG3 PRO 19 HG3 PRO 19 9.853 -5.727 -0.905 139 HD2 PRO 19 HD2 PRO 19 7.529 -5.151 0.902 140 HD3 PRO 19 HD3 PRO 19 9.097 -4.323 0.756 141 H PHE 20 H PHE 20 6.309 -4.767 -4.341 142 HA PHE 20 HA PHE 20 3.787 -3.732 -3.776 143 HB2 PHE 20 HB2 PHE 20 4.614 -4.072 -6.078 144 HB3 PHE 20 HB3 PHE 20 4.452 -5.813 -5.876 145 HD1 PHE 20 HD1 PHE 20 2.599 -2.642 -6.111 146 HD2 PHE 20 HD2 PHE 20 2.337 -6.889 -6.085 147 HE1 PHE 20 HE1 PHE 20 0.262 -2.500 -6.866 148 HE2 PHE 20 HE2 PHE 20 0.001 -6.754 -6.843 149 HZ PHE 20 HZ PHE 20 -1.040 -4.557 -7.233 150 H ASP 21 H ASP 21 4.866 -7.119 -3.668 151 HA ASP 21 HA ASP 21 2.364 -8.258 -3.138 152 HB2 ASP 21 HB2 ASP 21 3.619 -10.185 -2.213 153 HB3 ASP 21 HB3 ASP 21 4.229 -9.669 -3.781 154 H GLN 22 H GLN 22 4.806 -6.945 -0.942 155 HA GLN 22 HA GLN 22 3.482 -7.557 1.473 156 HB2 GLN 22 HB2 GLN 22 5.836 -6.897 1.398 157 HB3 GLN 22 HB3 GLN 22 5.386 -5.298 0.814 158 HG2 GLN 22 HG2 GLN 22 5.839 -5.046 3.095 159 HG3 GLN 22 HG3 GLN 22 4.076 -5.022 2.951 160 HE21 GLN 22 HE21 GLN 22 5.779 -5.644 5.238 161 HE22 GLN 22 HE22 GLN 22 5.330 -7.236 5.746 162 H CYS 23 H CYS 23 3.366 -4.757 -0.687 163 HA CYS 23 HA CYS 23 1.645 -3.148 0.868 164 HB2 CYS 23 HB2 CYS 23 2.898 -2.395 -1.214 165 HB3 CYS 23 HB3 CYS 23 1.682 -3.253 -2.164 166 H TYR 24 H TYR 24 1.007 -5.611 -1.561 167 HA TYR 24 HA TYR 24 -1.796 -5.402 -1.567 168 HB2 TYR 24 HB2 TYR 24 -0.272 -6.651 -3.225 169 HB3 TYR 24 HB3 TYR 24 -0.274 -7.968 -2.040 170 HD1 TYR 24 HD1 TYR 24 -2.403 -9.138 -1.508 171 HD2 TYR 24 HD2 TYR 24 -2.134 -6.256 -4.623 172 HE1 TYR 24 HE1 TYR 24 -4.504 -9.977 -2.460 173 HE2 TYR 24 HE2 TYR 24 -4.234 -7.084 -5.581 174 HH TYR 24 HH TYR 24 -6.329 -9.161 -3.908 175 H GLN 25 H GLN 25 0.414 -6.894 0.674 176 HA GLN 25 HA GLN 25 -1.506 -8.746 1.739 177 HB2 GLN 25 HB2 GLN 25 1.145 -7.785 2.859 178 HB3 GLN 25 HB3 GLN 25 0.155 -9.017 3.623 179 HG2 GLN 25 HG2 GLN 25 0.400 -10.394 1.526 180 HG3 GLN 25 HG3 GLN 25 1.557 -9.199 0.947 181 HE21 GLN 25 HE21 GLN 25 3.279 -10.569 0.920 182 HE22 GLN 25 HE22 GLN 25 4.008 -11.201 2.359 183 H MET 26 H MET 26 -0.431 -5.500 2.573 184 HA MET 26 HA MET 26 -1.967 -5.533 5.033 185 HB2 MET 26 HB2 MET 26 -0.408 -3.322 3.698 186 HB3 MET 26 HB3 MET 26 -1.188 -3.177 5.263 187 HG2 MET 26 HG2 MET 26 0.286 -4.988 6.113 188 HG3 MET 26 HG3 MET 26 1.113 -5.003 4.554 189 HE1 MET 26 HE1 MET 26 2.509 -1.255 4.537 190 HE2 MET 26 HE2 MET 26 0.938 -1.787 3.939 191 HE3 MET 26 HE3 MET 26 2.383 -2.733 3.588 192 H CYS 27 H CYS 27 -2.196 -4.010 1.837 193 HA CYS 27 HA CYS 27 -4.482 -2.458 2.690 194 HB2 CYS 27 HB2 CYS 27 -3.371 -2.723 -0.120 195 HB3 CYS 27 HB3 CYS 27 -4.436 -1.452 0.507 196 H SER 28 H SER 28 -4.115 -5.627 1.441 197 HA SER 28 HA SER 28 -6.387 -5.755 -0.191 198 HB2 SER 28 HB2 SER 28 -6.322 -8.273 0.358 199 HB3 SER 28 HB3 SER 28 -4.950 -7.550 -0.493 200 HG SER 28 HG SER 28 -3.713 -7.911 1.169 201 HA PRO 29 HA PRO 29 -8.957 -7.261 3.698 202 HB2 PRO 29 HB2 PRO 29 -7.489 -5.722 5.781 203 HB3 PRO 29 HB3 PRO 29 -8.296 -7.299 5.906 204 HG2 PRO 29 HG2 PRO 29 -5.646 -7.185 5.806 205 HG3 PRO 29 HG3 PRO 29 -6.522 -8.435 4.886 206 HD2 PRO 29 HD2 PRO 29 -5.292 -5.867 3.903 207 HD3 PRO 29 HD3 PRO 29 -5.285 -7.485 3.155 208 H LEU 30 H LEU 30 -7.438 -4.206 3.185 209 HA LEU 30 HA LEU 30 -9.608 -2.608 4.214 210 HB2 LEU 30 HB2 LEU 30 -7.094 -1.990 4.101 211 HB3 LEU 30 HB3 LEU 30 -7.390 -1.684 2.382 212 HG LEU 30 HG LEU 30 -8.644 -0.211 4.724 213 HD11 LEU 30 HD11 LEU 30 -7.354 1.695 3.819 214 HD12 LEU 30 HD12 LEU 30 -6.604 0.603 2.653 215 HD13 LEU 30 HD13 LEU 30 -6.324 0.378 4.380 216 HD21 LEU 30 HD21 LEU 30 -9.675 1.253 3.099 217 HD22 LEU 30 HD22 LEU 30 -10.191 -0.407 2.792 218 HD23 LEU 30 HD23 LEU 30 -8.964 0.339 1.768 219 H GLU 31 H GLU 31 -8.127 -3.017 1.023 220 HA GLU 31 HA GLU 31 -10.240 -1.668 -0.325 221 HB2 GLU 31 HB2 GLU 31 -7.908 -1.697 -1.160 222 HB3 GLU 31 HB3 GLU 31 -8.053 -3.434 -1.459 223 HG2 GLU 31 HG2 GLU 31 -9.848 -2.987 -3.079 224 HG3 GLU 31 HG3 GLU 31 -9.635 -1.250 -2.825 225 H ARG 32 H ARG 32 -9.503 -5.051 0.249 226 HA ARG 32 HA ARG 32 -10.578 -7.003 -0.278 227 HB2 ARG 32 HB2 ARG 32 -12.969 -5.149 -0.433 228 HB3 ARG 32 HB3 ARG 32 -13.080 -6.913 -0.466 229 HG2 ARG 32 HG2 ARG 32 -11.979 -6.923 1.816 230 HG3 ARG 32 HG3 ARG 32 -12.130 -5.166 1.823 231 HD2 ARG 32 HD2 ARG 32 -13.930 -6.318 3.055 232 HD3 ARG 32 HD3 ARG 32 -14.536 -5.320 1.739 233 HE ARG 32 HE ARG 32 -14.183 -7.937 0.790 234 HH11 ARG 32 HH11 ARG 32 -16.197 -6.177 3.044 235 HH12 ARG 32 HH12 ARG 32 -17.551 -7.243 2.865 236 HH21 ARG 32 HH21 ARG 32 -15.958 -9.357 0.573 237 HH22 ARG 32 HH22 ARG 32 -17.413 -9.059 1.468 238 H SER 33 H SER 33 -9.259 -6.894 -2.199 239 HA SER 33 HA SER 33 -10.233 -5.876 -4.661 240 HB2 SER 33 HB2 SER 33 -8.176 -8.078 -4.316 241 HB3 SER 33 HB3 SER 33 -8.329 -6.949 -5.661 242 HG SER 33 HG SER 33 -7.934 -5.260 -4.014 Start of MODEL 9 1 HA ALA 1 HA ALA 1 -16.999 2.915 -1.036 2 HB1 ALA 1 HB1 ALA 1 -17.565 4.539 -3.515 3 HB2 ALA 1 HB2 ALA 1 -18.024 2.857 -3.247 4 HB3 ALA 1 HB3 ALA 1 -16.320 3.299 -3.359 5 H SER 2 H SER 2 -14.720 3.558 -1.421 6 HA SER 2 HA SER 2 -14.119 6.389 -1.128 7 HB2 SER 2 HB2 SER 2 -13.491 4.404 1.087 8 HB3 SER 2 HB3 SER 2 -12.843 6.040 1.003 9 HG SER 2 HG SER 2 -15.475 6.202 0.701 10 HA PRO 3 HA PRO 3 -11.142 3.546 -3.464 11 HB2 PRO 3 HB2 PRO 3 -11.134 5.894 -5.286 12 HB3 PRO 3 HB3 PRO 3 -11.242 4.161 -5.667 13 HG2 PRO 3 HG2 PRO 3 -13.383 5.733 -5.857 14 HG3 PRO 3 HG3 PRO 3 -13.510 4.070 -5.244 15 HD2 PRO 3 HD2 PRO 3 -13.548 6.655 -3.692 16 HD3 PRO 3 HD3 PRO 3 -14.484 5.151 -3.431 17 H GLN 4 H GLN 4 -10.993 6.932 -2.510 18 HA GLN 4 HA GLN 4 -8.259 7.298 -3.122 19 HB2 GLN 4 HB2 GLN 4 -8.407 9.398 -2.112 20 HB3 GLN 4 HB3 GLN 4 -10.012 9.102 -2.754 21 HG2 GLN 4 HG2 GLN 4 -9.241 8.661 0.119 22 HG3 GLN 4 HG3 GLN 4 -9.979 10.138 -0.493 23 HE21 GLN 4 HE21 GLN 4 -10.994 8.353 1.528 24 HE22 GLN 4 HE22 GLN 4 -12.536 7.802 0.956 25 H GLN 5 H GLN 5 -9.902 6.104 -0.273 26 HA GLN 5 HA GLN 5 -7.643 6.280 1.433 27 HB2 GLN 5 HB2 GLN 5 -8.856 5.078 3.046 28 HB3 GLN 5 HB3 GLN 5 -10.056 6.021 2.183 29 HG2 GLN 5 HG2 GLN 5 -10.682 4.038 0.891 30 HG3 GLN 5 HG3 GLN 5 -9.473 3.098 1.761 31 HE21 GLN 5 HE21 GLN 5 -10.034 4.518 4.287 32 HE22 GLN 5 HE22 GLN 5 -11.531 3.861 4.860 33 H ALA 6 H ALA 6 -8.914 3.763 -0.644 34 HA ALA 6 HA ALA 6 -6.980 1.799 0.036 35 HB1 ALA 6 HB1 ALA 6 -7.647 0.729 -2.112 36 HB2 ALA 6 HB2 ALA 6 -8.667 2.126 -2.443 37 HB3 ALA 6 HB3 ALA 6 -9.004 1.099 -1.049 38 H LYS 7 H LYS 7 -7.179 4.257 -2.494 39 HA LYS 7 HA LYS 7 -4.781 3.596 -3.813 40 HB2 LYS 7 HB2 LYS 7 -6.617 5.107 -4.663 41 HB3 LYS 7 HB3 LYS 7 -6.013 6.346 -3.574 42 HG2 LYS 7 HG2 LYS 7 -5.239 6.663 -5.875 43 HG3 LYS 7 HG3 LYS 7 -3.891 6.400 -4.738 44 HD2 LYS 7 HD2 LYS 7 -3.549 4.183 -5.507 45 HD3 LYS 7 HD3 LYS 7 -5.118 4.127 -6.314 46 HE2 LYS 7 HE2 LYS 7 -2.796 5.878 -7.142 47 HE3 LYS 7 HE3 LYS 7 -3.239 4.355 -7.916 48 HZ1 LYS 7 HZ1 LYS 7 -4.931 6.797 -7.772 49 HZ2 LYS 7 HZ2 LYS 7 -5.392 5.331 -8.475 50 HZ3 LYS 7 HZ3 LYS 7 -4.121 6.223 -9.141 51 H TYR 8 H TYR 8 -5.484 5.491 -0.965 52 HA TYR 8 HA TYR 8 -2.950 6.713 -0.652 53 HB2 TYR 8 HB2 TYR 8 -5.043 7.429 0.515 54 HB3 TYR 8 HB3 TYR 8 -4.954 5.963 1.492 55 HD1 TYR 8 HD1 TYR 8 -3.362 9.205 0.804 56 HD2 TYR 8 HD2 TYR 8 -3.468 5.801 3.350 57 HE1 TYR 8 HE1 TYR 8 -1.981 10.399 2.449 58 HE2 TYR 8 HE2 TYR 8 -2.082 6.980 5.001 59 HH TYR 8 HH TYR 8 -0.421 8.875 4.993 60 H CYS 9 H CYS 9 -4.335 3.680 0.525 61 HA CYS 9 HA CYS 9 -2.177 2.886 2.146 62 HB2 CYS 9 HB2 CYS 9 -4.427 1.819 2.184 63 HB3 CYS 9 HB3 CYS 9 -4.094 1.094 0.603 64 H TYR 10 H TYR 10 -2.895 2.236 -1.264 65 HA TYR 10 HA TYR 10 -0.530 0.681 -1.672 66 HB2 TYR 10 HB2 TYR 10 -2.504 1.926 -3.603 67 HB3 TYR 10 HB3 TYR 10 -1.122 0.955 -4.118 68 HD1 TYR 10 HD1 TYR 10 -4.502 0.899 -2.844 69 HD2 TYR 10 HD2 TYR 10 -1.005 -1.452 -3.431 70 HE1 TYR 10 HE1 TYR 10 -5.841 -1.135 -2.635 71 HE2 TYR 10 HE2 TYR 10 -2.342 -3.498 -3.215 72 HH TYR 10 HH TYR 10 -5.783 -3.441 -3.259 73 H GLU 11 H GLU 11 -1.228 4.105 -1.824 74 HA GLU 11 HA GLU 11 1.014 4.678 -3.498 75 HB2 GLU 11 HB2 GLU 11 0.454 6.933 -3.352 76 HB3 GLU 11 HB3 GLU 11 -1.113 6.133 -3.153 77 HG2 GLU 11 HG2 GLU 11 -1.077 6.522 -0.800 78 HG3 GLU 11 HG3 GLU 11 0.596 7.117 -0.879 79 H GLN 12 H GLN 12 0.422 4.861 0.016 80 HA GLN 12 HA GLN 12 2.976 6.051 0.483 81 HB2 GLN 12 HB2 GLN 12 1.004 4.843 2.435 82 HB3 GLN 12 HB3 GLN 12 2.414 5.785 2.882 83 HG2 GLN 12 HG2 GLN 12 0.380 6.934 1.040 84 HG3 GLN 12 HG3 GLN 12 0.081 6.892 2.768 85 HE21 GLN 12 HE21 GLN 12 3.296 7.282 1.495 86 HE22 GLN 12 HE22 GLN 12 3.478 8.940 1.946 87 H CYS 13 H CYS 13 1.806 2.799 0.294 88 HA CYS 13 HA CYS 13 3.635 1.549 2.013 89 HB2 CYS 13 HB2 CYS 13 3.057 -0.525 0.862 90 HB3 CYS 13 HB3 CYS 13 1.597 0.446 1.078 91 H ASN 14 H ASN 14 3.842 1.891 -1.558 92 HA ASN 14 HA ASN 14 6.550 0.981 -1.553 93 HB2 ASN 14 HB2 ASN 14 6.579 1.670 -3.961 94 HB3 ASN 14 HB3 ASN 14 5.298 0.551 -3.534 95 HD21 ASN 14 HD21 ASN 14 5.341 4.087 -3.072 96 HD22 ASN 14 HD22 ASN 14 3.994 4.385 -4.119 97 H VAL 15 H VAL 15 5.078 4.102 -1.227 98 HA VAL 15 HA VAL 15 7.322 5.695 -1.830 99 HB VAL 15 HB VAL 15 4.960 6.174 -0.015 100 HG11 VAL 15 HG11 VAL 15 6.830 7.415 0.937 101 HG12 VAL 15 HG12 VAL 15 5.696 8.524 0.166 102 HG13 VAL 15 HG13 VAL 15 7.203 8.099 -0.644 103 HG21 VAL 15 HG21 VAL 15 4.524 6.188 -2.421 104 HG22 VAL 15 HG22 VAL 15 5.793 7.391 -2.652 105 HG23 VAL 15 HG23 VAL 15 4.343 7.804 -1.739 106 H ASN 16 H ASN 16 6.261 4.123 1.180 107 HA ASN 16 HA ASN 16 8.412 5.194 2.729 108 HB2 ASN 16 HB2 ASN 16 6.727 2.718 3.245 109 HB3 ASN 16 HB3 ASN 16 7.783 3.511 4.416 110 HD21 ASN 16 HD21 ASN 16 6.981 6.190 3.417 111 HD22 ASN 16 HD22 ASN 16 5.402 6.452 4.080 112 H LYS 17 H LYS 17 7.892 1.718 2.240 113 HA LYS 17 HA LYS 17 9.807 1.229 0.354 114 HB2 LYS 17 HB2 LYS 17 11.747 0.365 1.513 115 HB3 LYS 17 HB3 LYS 17 11.468 2.036 2.012 116 HG2 LYS 17 HG2 LYS 17 10.735 -0.418 3.621 117 HG3 LYS 17 HG3 LYS 17 12.181 0.566 3.860 118 HD2 LYS 17 HD2 LYS 17 10.846 2.486 4.467 119 HD3 LYS 17 HD3 LYS 17 9.338 1.623 4.092 120 HE2 LYS 17 HE2 LYS 17 9.994 -0.046 5.864 121 HE3 LYS 17 HE3 LYS 17 11.317 1.035 6.302 122 HZ1 LYS 17 HZ1 LYS 17 8.422 1.678 6.395 123 HZ2 LYS 17 HZ2 LYS 17 9.664 2.771 6.740 124 HZ3 LYS 17 HZ3 LYS 17 9.435 1.415 7.722 125 H VAL 18 H VAL 18 7.967 -0.182 -0.180 126 HA VAL 18 HA VAL 18 8.356 -2.773 1.110 127 HB VAL 18 HB VAL 18 6.164 -3.261 1.655 128 HG11 VAL 18 HG11 VAL 18 6.965 -1.550 3.185 129 HG12 VAL 18 HG12 VAL 18 5.215 -1.454 2.978 130 HG13 VAL 18 HG13 VAL 18 6.265 -0.291 2.167 131 HG21 VAL 18 HG21 VAL 18 4.186 -2.127 0.818 132 HG22 VAL 18 HG22 VAL 18 5.204 -2.722 -0.498 133 HG23 VAL 18 HG23 VAL 18 5.203 -1.004 -0.091 134 HA PRO 19 HA PRO 19 7.943 -4.218 -3.132 135 HB2 PRO 19 HB2 PRO 19 7.277 -6.798 -1.880 136 HB3 PRO 19 HB3 PRO 19 8.619 -6.393 -2.965 137 HG2 PRO 19 HG2 PRO 19 9.027 -6.905 -0.359 138 HG3 PRO 19 HG3 PRO 19 9.986 -5.708 -1.251 139 HD2 PRO 19 HD2 PRO 19 7.702 -5.256 0.647 140 HD3 PRO 19 HD3 PRO 19 9.227 -4.356 0.457 141 H PHE 20 H PHE 20 6.178 -5.012 -4.494 142 HA PHE 20 HA PHE 20 3.702 -3.969 -3.798 143 HB2 PHE 20 HB2 PHE 20 4.360 -4.462 -6.135 144 HB3 PHE 20 HB3 PHE 20 4.177 -6.182 -5.808 145 HD1 PHE 20 HD1 PHE 20 2.378 -2.984 -6.089 146 HD2 PHE 20 HD2 PHE 20 2.040 -7.216 -5.787 147 HE1 PHE 20 HE1 PHE 20 -0.012 -2.829 -6.655 148 HE2 PHE 20 HE2 PHE 20 -0.349 -7.069 -6.356 149 HZ PHE 20 HZ PHE 20 -1.378 -4.875 -6.789 150 H ASP 21 H ASP 21 4.822 -7.320 -3.493 151 HA ASP 21 HA ASP 21 2.362 -8.464 -2.795 152 HB2 ASP 21 HB2 ASP 21 3.596 -10.334 -1.907 153 HB3 ASP 21 HB3 ASP 21 4.398 -9.784 -3.372 154 H GLN 22 H GLN 22 4.841 -6.937 -0.772 155 HA GLN 22 HA GLN 22 3.552 -7.369 1.703 156 HB2 GLN 22 HB2 GLN 22 5.885 -6.712 1.612 157 HB3 GLN 22 HB3 GLN 22 5.456 -5.180 0.860 158 HG2 GLN 22 HG2 GLN 22 5.924 -4.835 3.187 159 HG3 GLN 22 HG3 GLN 22 4.203 -4.565 2.881 160 HE21 GLN 22 HE21 GLN 22 5.650 -7.743 3.075 161 HE22 GLN 22 HE22 GLN 22 4.892 -8.204 4.562 162 H CYS 23 H CYS 23 3.372 -4.755 -0.670 163 HA CYS 23 HA CYS 23 1.672 -3.054 0.814 164 HB2 CYS 23 HB2 CYS 23 2.892 -2.453 -1.358 165 HB3 CYS 23 HB3 CYS 23 1.609 -3.322 -2.204 166 H TYR 24 H TYR 24 1.006 -5.649 -1.477 167 HA TYR 24 HA TYR 24 -1.795 -5.497 -1.430 168 HB2 TYR 24 HB2 TYR 24 -0.341 -6.822 -3.045 169 HB3 TYR 24 HB3 TYR 24 -0.178 -8.035 -1.764 170 HD1 TYR 24 HD1 TYR 24 -2.396 -6.561 -4.250 171 HD2 TYR 24 HD2 TYR 24 -2.097 -9.397 -1.096 172 HE1 TYR 24 HE1 TYR 24 -4.477 -7.618 -5.014 173 HE2 TYR 24 HE2 TYR 24 -4.177 -10.461 -1.846 174 HH TYR 24 HH TYR 24 -6.165 -9.935 -3.137 175 H GLN 25 H GLN 25 0.487 -6.870 0.843 176 HA GLN 25 HA GLN 25 -1.394 -8.617 2.107 177 HB2 GLN 25 HB2 GLN 25 1.278 -7.541 3.041 178 HB3 GLN 25 HB3 GLN 25 0.300 -8.647 4.000 179 HG2 GLN 25 HG2 GLN 25 1.668 -9.188 1.361 180 HG3 GLN 25 HG3 GLN 25 1.897 -9.999 2.906 181 HE21 GLN 25 HE21 GLN 25 -0.073 -9.723 0.087 182 HE22 GLN 25 HE22 GLN 25 -1.047 -11.125 0.375 183 H MET 26 H MET 26 -0.309 -5.322 2.662 184 HA MET 26 HA MET 26 -1.785 -5.100 5.128 185 HB2 MET 26 HB2 MET 26 0.231 -3.875 5.076 186 HB3 MET 26 HB3 MET 26 -0.115 -3.226 3.482 187 HG2 MET 26 HG2 MET 26 -1.889 -1.831 4.423 188 HG3 MET 26 HG3 MET 26 -1.552 -2.485 6.026 189 HE1 MET 26 HE1 MET 26 0.077 -0.611 2.970 190 HE2 MET 26 HE2 MET 26 1.367 -1.724 3.433 191 HE3 MET 26 HE3 MET 26 1.565 0.008 3.686 192 H CYS 27 H CYS 27 -2.177 -4.012 1.785 193 HA CYS 27 HA CYS 27 -4.484 -2.416 2.504 194 HB2 CYS 27 HB2 CYS 27 -3.385 -2.998 -0.265 195 HB3 CYS 27 HB3 CYS 27 -4.518 -1.709 0.191 196 H SER 28 H SER 28 -4.024 -5.695 1.567 197 HA SER 28 HA SER 28 -6.311 -6.097 0.032 198 HB2 SER 28 HB2 SER 28 -6.156 -8.525 0.930 199 HB3 SER 28 HB3 SER 28 -4.840 -7.883 -0.061 200 HG SER 28 HG SER 28 -3.543 -7.952 1.597 201 HA PRO 29 HA PRO 29 -8.821 -7.178 4.076 202 HB2 PRO 29 HB2 PRO 29 -7.370 -5.483 6.037 203 HB3 PRO 29 HB3 PRO 29 -8.116 -7.080 6.261 204 HG2 PRO 29 HG2 PRO 29 -5.474 -6.870 6.125 205 HG3 PRO 29 HG3 PRO 29 -6.314 -8.207 5.298 206 HD2 PRO 29 HD2 PRO 29 -5.213 -5.651 4.133 207 HD3 PRO 29 HD3 PRO 29 -5.114 -7.318 3.506 208 H LEU 30 H LEU 30 -7.476 -4.231 3.046 209 HA LEU 30 HA LEU 30 -9.641 -2.589 4.100 210 HB2 LEU 30 HB2 LEU 30 -7.134 -1.916 3.953 211 HB3 LEU 30 HB3 LEU 30 -7.457 -1.686 2.227 212 HG LEU 30 HG LEU 30 -8.706 -0.156 4.535 213 HD11 LEU 30 HD11 LEU 30 -6.432 0.507 4.061 214 HD12 LEU 30 HD12 LEU 30 -7.543 1.752 3.486 215 HD13 LEU 30 HD13 LEU 30 -6.798 0.637 2.340 216 HD21 LEU 30 HD21 LEU 30 -9.859 1.188 2.885 217 HD22 LEU 30 HD22 LEU 30 -10.328 -0.504 2.692 218 HD23 LEU 30 HD23 LEU 30 -9.175 0.227 1.574 219 H GLU 31 H GLU 31 -8.116 -3.112 0.940 220 HA GLU 31 HA GLU 31 -10.272 -1.829 -0.423 221 HB2 GLU 31 HB2 GLU 31 -7.915 -1.703 -1.196 222 HB3 GLU 31 HB3 GLU 31 -7.972 -3.430 -1.572 223 HG2 GLU 31 HG2 GLU 31 -9.751 -2.993 -3.213 224 HG3 GLU 31 HG3 GLU 31 -9.633 -1.264 -2.873 225 H ARG 32 H ARG 32 -9.109 -5.205 -0.414 226 HA ARG 32 HA ARG 32 -11.761 -5.989 -1.414 227 HB2 ARG 32 HB2 ARG 32 -9.091 -7.032 -2.402 228 HB3 ARG 32 HB3 ARG 32 -10.642 -7.770 -2.799 229 HG2 ARG 32 HG2 ARG 32 -9.867 -4.929 -3.521 230 HG3 ARG 32 HG3 ARG 32 -9.683 -6.309 -4.601 231 HD2 ARG 32 HD2 ARG 32 -12.207 -5.011 -3.605 232 HD3 ARG 32 HD3 ARG 32 -11.687 -5.318 -5.255 233 HE ARG 32 HE ARG 32 -12.090 -7.720 -3.733 234 HH11 ARG 32 HH11 ARG 32 -13.626 -5.300 -5.732 235 HH12 ARG 32 HH12 ARG 32 -14.939 -6.332 -6.190 236 HH21 ARG 32 HH21 ARG 32 -13.813 -9.084 -4.330 237 HH22 ARG 32 HH22 ARG 32 -15.042 -8.491 -5.401 238 H SER 33 H SER 33 -12.331 -6.575 0.674 239 HA SER 33 HA SER 33 -11.059 -9.077 1.570 240 HB2 SER 33 HB2 SER 33 -11.908 -8.430 3.880 241 HB3 SER 33 HB3 SER 33 -10.611 -7.414 3.252 242 HG SER 33 HG SER 33 -13.336 -6.736 2.905 Start of MODEL 10 1 HA ALA 1 HA ALA 1 -16.155 1.481 -1.711 2 HB1 ALA 1 HB1 ALA 1 -17.094 0.905 1.097 3 HB2 ALA 1 HB2 ALA 1 -17.789 0.246 -0.382 4 HB3 ALA 1 HB3 ALA 1 -17.885 1.976 -0.056 5 H SER 2 H SER 2 -13.550 2.004 -1.097 6 HA SER 2 HA SER 2 -13.704 4.625 0.115 7 HB2 SER 2 HB2 SER 2 -13.397 2.936 2.058 8 HB3 SER 2 HB3 SER 2 -11.789 2.652 1.395 9 HG SER 2 HG SER 2 -12.121 5.270 1.561 10 HA PRO 3 HA PRO 3 -10.782 3.521 -3.482 11 HB2 PRO 3 HB2 PRO 3 -11.809 6.172 -4.373 12 HB3 PRO 3 HB3 PRO 3 -11.531 4.686 -5.309 13 HG2 PRO 3 HG2 PRO 3 -13.996 5.420 -4.645 14 HG3 PRO 3 HG3 PRO 3 -13.506 3.714 -4.612 15 HD2 PRO 3 HD2 PRO 3 -13.907 5.602 -2.301 16 HD3 PRO 3 HD3 PRO 3 -14.250 3.850 -2.418 17 H GLN 4 H GLN 4 -11.259 6.872 -2.311 18 HA GLN 4 HA GLN 4 -8.696 7.759 -2.936 19 HB2 GLN 4 HB2 GLN 4 -10.505 9.313 -2.466 20 HB3 GLN 4 HB3 GLN 4 -10.605 8.742 -0.806 21 HG2 GLN 4 HG2 GLN 4 -8.296 9.580 -0.430 22 HG3 GLN 4 HG3 GLN 4 -8.313 10.263 -2.055 23 HE21 GLN 4 HE21 GLN 4 -11.156 10.993 -1.857 24 HE22 GLN 4 HE22 GLN 4 -11.211 12.384 -0.828 25 H GLN 5 H GLN 5 -9.942 6.437 0.099 26 HA GLN 5 HA GLN 5 -7.488 6.835 1.491 27 HB2 GLN 5 HB2 GLN 5 -9.895 5.145 2.153 28 HB3 GLN 5 HB3 GLN 5 -8.496 5.290 3.205 29 HG2 GLN 5 HG2 GLN 5 -10.230 7.594 2.318 30 HG3 GLN 5 HG3 GLN 5 -10.358 6.762 3.866 31 HE21 GLN 5 HE21 GLN 5 -9.893 8.658 5.046 32 HE22 GLN 5 HE22 GLN 5 -8.308 9.351 5.080 33 H ALA 6 H ALA 6 -8.967 4.070 -0.137 34 HA ALA 6 HA ALA 6 -6.940 2.214 0.529 35 HB1 ALA 6 HB1 ALA 6 -9.087 1.458 -0.325 36 HB2 ALA 6 HB2 ALA 6 -7.778 0.884 -1.357 37 HB3 ALA 6 HB3 ALA 6 -8.768 2.246 -1.870 38 H LYS 7 H LYS 7 -7.316 4.533 -2.087 39 HA LYS 7 HA LYS 7 -5.105 3.749 -3.638 40 HB2 LYS 7 HB2 LYS 7 -6.852 5.314 -4.432 41 HB3 LYS 7 HB3 LYS 7 -6.285 6.519 -3.287 42 HG2 LYS 7 HG2 LYS 7 -5.458 7.050 -5.472 43 HG3 LYS 7 HG3 LYS 7 -4.097 6.553 -4.432 44 HD2 LYS 7 HD2 LYS 7 -4.267 4.260 -5.419 45 HD3 LYS 7 HD3 LYS 7 -5.501 4.861 -6.531 46 HE2 LYS 7 HE2 LYS 7 -3.302 4.813 -7.616 47 HE3 LYS 7 HE3 LYS 7 -3.879 6.472 -7.439 48 HZ1 LYS 7 HZ1 LYS 7 -2.473 6.689 -5.465 49 HZ2 LYS 7 HZ2 LYS 7 -1.564 6.312 -6.839 50 HZ3 LYS 7 HZ3 LYS 7 -1.896 5.114 -5.694 51 H TYR 8 H TYR 8 -5.415 5.906 -0.871 52 HA TYR 8 HA TYR 8 -2.770 6.909 -0.915 53 HB2 TYR 8 HB2 TYR 8 -4.704 7.923 0.339 54 HB3 TYR 8 HB3 TYR 8 -4.570 6.600 1.500 55 HD1 TYR 8 HD1 TYR 8 -2.881 9.579 0.149 56 HD2 TYR 8 HD2 TYR 8 -2.881 6.601 3.185 57 HE1 TYR 8 HE1 TYR 8 -1.217 10.876 1.409 58 HE2 TYR 8 HE2 TYR 8 -1.213 7.886 4.455 59 HH TYR 8 HH TYR 8 -0.426 11.118 3.699 60 H CYS 9 H CYS 9 -4.290 4.141 0.606 61 HA CYS 9 HA CYS 9 -2.190 3.247 2.221 62 HB2 CYS 9 HB2 CYS 9 -4.475 2.326 2.334 63 HB3 CYS 9 HB3 CYS 9 -4.272 1.608 0.732 64 H TYR 10 H TYR 10 -2.971 2.416 -1.144 65 HA TYR 10 HA TYR 10 -0.695 0.682 -1.384 66 HB2 TYR 10 HB2 TYR 10 -2.735 1.689 -3.379 67 HB3 TYR 10 HB3 TYR 10 -1.393 0.633 -3.828 68 HD1 TYR 10 HD1 TYR 10 -1.202 -1.592 -2.607 69 HD2 TYR 10 HD2 TYR 10 -4.743 0.766 -2.579 70 HE1 TYR 10 HE1 TYR 10 -2.510 -3.567 -2.034 71 HE2 TYR 10 HE2 TYR 10 -6.060 -1.218 -1.996 72 HH TYR 10 HH TYR 10 -5.798 -3.765 -2.313 73 H GLU 11 H GLU 11 -1.306 4.059 -2.094 74 HA GLU 11 HA GLU 11 0.843 4.270 -3.953 75 HB2 GLU 11 HB2 GLU 11 0.421 6.606 -4.007 76 HB3 GLU 11 HB3 GLU 11 -1.159 5.819 -3.842 77 HG2 GLU 11 HG2 GLU 11 -1.165 6.332 -1.472 78 HG3 GLU 11 HG3 GLU 11 0.428 7.094 -1.635 79 H GLN 12 H GLN 12 0.517 5.021 -0.481 80 HA GLN 12 HA GLN 12 3.166 6.115 -0.391 81 HB2 GLN 12 HB2 GLN 12 1.173 5.509 1.800 82 HB3 GLN 12 HB3 GLN 12 2.724 6.284 2.073 83 HG2 GLN 12 HG2 GLN 12 0.814 7.420 0.100 84 HG3 GLN 12 HG3 GLN 12 0.587 7.706 1.813 85 HE21 GLN 12 HE21 GLN 12 3.772 7.375 0.458 86 HE22 GLN 12 HE22 GLN 12 4.224 9.036 0.624 87 H CYS 13 H CYS 13 1.821 2.957 0.086 88 HA CYS 13 HA CYS 13 3.578 1.994 2.041 89 HB2 CYS 13 HB2 CYS 13 2.947 -0.262 1.279 90 HB3 CYS 13 HB3 CYS 13 1.528 0.785 1.378 91 H ASN 14 H ASN 14 3.863 1.649 -1.522 92 HA ASN 14 HA ASN 14 6.514 0.589 -1.289 93 HB2 ASN 14 HB2 ASN 14 6.622 0.817 -3.752 94 HB3 ASN 14 HB3 ASN 14 5.172 -0.012 -3.214 95 HD21 ASN 14 HD21 ASN 14 6.409 3.026 -4.546 96 HD22 ASN 14 HD22 ASN 14 4.870 3.579 -5.119 97 H VAL 15 H VAL 15 5.220 3.813 -1.616 98 HA VAL 15 HA VAL 15 7.609 5.071 -2.456 99 HB VAL 15 HB VAL 15 5.244 6.204 -0.948 100 HG11 VAL 15 HG11 VAL 15 6.108 8.421 -1.546 101 HG12 VAL 15 HG12 VAL 15 7.548 7.675 -2.238 102 HG13 VAL 15 HG13 VAL 15 7.240 7.554 -0.507 103 HG21 VAL 15 HG21 VAL 15 6.059 6.365 -3.853 104 HG22 VAL 15 HG22 VAL 15 4.695 7.217 -3.129 105 HG23 VAL 15 HG23 VAL 15 4.698 5.456 -3.197 106 H ASN 16 H ASN 16 6.247 4.369 0.741 107 HA ASN 16 HA ASN 16 8.367 5.638 2.171 108 HB2 ASN 16 HB2 ASN 16 6.396 3.497 3.040 109 HB3 ASN 16 HB3 ASN 16 7.521 4.326 4.128 110 HD21 ASN 16 HD21 ASN 16 4.641 4.359 4.324 111 HD22 ASN 16 HD22 ASN 16 4.149 6.009 4.135 112 H LYS 17 H LYS 17 7.648 2.145 2.289 113 HA LYS 17 HA LYS 17 9.803 1.282 0.778 114 HB2 LYS 17 HB2 LYS 17 11.214 2.235 2.574 115 HB3 LYS 17 HB3 LYS 17 10.412 1.170 3.739 116 HG2 LYS 17 HG2 LYS 17 11.244 -0.789 2.471 117 HG3 LYS 17 HG3 LYS 17 12.121 0.311 1.401 118 HD2 LYS 17 HD2 LYS 17 13.482 1.114 3.196 119 HD3 LYS 17 HD3 LYS 17 12.516 0.242 4.407 120 HE2 LYS 17 HE2 LYS 17 14.208 -0.993 2.221 121 HE3 LYS 17 HE3 LYS 17 14.622 -0.919 3.931 122 HZ1 LYS 17 HZ1 LYS 17 13.729 -3.079 3.336 123 HZ2 LYS 17 HZ2 LYS 17 12.305 -2.371 2.772 124 HZ3 LYS 17 HZ3 LYS 17 12.691 -2.298 4.416 125 H VAL 18 H VAL 18 7.871 -0.068 0.237 126 HA VAL 18 HA VAL 18 8.226 -2.581 1.643 127 HB VAL 18 HB VAL 18 6.091 -3.044 2.314 128 HG11 VAL 18 HG11 VAL 18 6.711 -1.050 3.571 129 HG12 VAL 18 HG12 VAL 18 4.966 -1.180 3.361 130 HG13 VAL 18 HG13 VAL 18 5.888 -0.036 2.384 131 HG21 VAL 18 HG21 VAL 18 4.036 -2.215 1.304 132 HG22 VAL 18 HG22 VAL 18 5.122 -2.925 0.104 133 HG23 VAL 18 HG23 VAL 18 4.979 -1.168 0.235 134 HA PRO 19 HA PRO 19 7.978 -4.006 -2.610 135 HB2 PRO 19 HB2 PRO 19 7.188 -6.602 -1.477 136 HB3 PRO 19 HB3 PRO 19 8.614 -6.194 -2.447 137 HG2 PRO 19 HG2 PRO 19 8.799 -6.776 0.179 138 HG3 PRO 19 HG3 PRO 19 9.870 -5.609 -0.618 139 HD2 PRO 19 HD2 PRO 19 7.493 -5.096 1.141 140 HD3 PRO 19 HD3 PRO 19 9.046 -4.233 1.033 141 H PHE 20 H PHE 20 6.271 -4.508 -4.108 142 HA PHE 20 HA PHE 20 3.757 -3.566 -3.356 143 HB2 PHE 20 HB2 PHE 20 4.569 -3.675 -5.717 144 HB3 PHE 20 HB3 PHE 20 4.273 -5.412 -5.696 145 HD1 PHE 20 HD1 PHE 20 2.702 -2.098 -5.596 146 HD2 PHE 20 HD2 PHE 20 2.049 -6.298 -5.821 147 HE1 PHE 20 HE1 PHE 20 0.350 -1.697 -6.203 148 HE2 PHE 20 HE2 PHE 20 -0.302 -5.904 -6.432 149 HZ PHE 20 HZ PHE 20 -1.153 -3.601 -6.622 150 H ASP 21 H ASP 21 4.897 -6.911 -3.622 151 HA ASP 21 HA ASP 21 2.486 -8.222 -3.164 152 HB2 ASP 21 HB2 ASP 21 3.947 -10.057 -2.193 153 HB3 ASP 21 HB3 ASP 21 4.337 -9.544 -3.833 154 H GLN 22 H GLN 22 4.863 -7.001 -0.824 155 HA GLN 22 HA GLN 22 3.495 -7.848 1.482 156 HB2 GLN 22 HB2 GLN 22 5.857 -7.129 1.491 157 HB3 GLN 22 HB3 GLN 22 5.347 -5.477 1.154 158 HG2 GLN 22 HG2 GLN 22 4.139 -5.422 3.277 159 HG3 GLN 22 HG3 GLN 22 4.672 -7.074 3.612 160 HE21 GLN 22 HE21 GLN 22 6.817 -7.466 4.121 161 HE22 GLN 22 HE22 GLN 22 7.888 -6.198 4.621 162 H CYS 23 H CYS 23 3.303 -4.929 -0.475 163 HA CYS 23 HA CYS 23 1.556 -3.484 1.220 164 HB2 CYS 23 HB2 CYS 23 2.824 -2.517 -0.774 165 HB3 CYS 23 HB3 CYS 23 1.607 -3.273 -1.804 166 H TYR 24 H TYR 24 0.942 -5.673 -1.507 167 HA TYR 24 HA TYR 24 -1.867 -5.527 -1.350 168 HB2 TYR 24 HB2 TYR 24 -0.665 -6.432 -3.328 169 HB3 TYR 24 HB3 TYR 24 -0.197 -7.845 -2.367 170 HD1 TYR 24 HD1 TYR 24 -3.107 -6.030 -3.772 171 HD2 TYR 24 HD2 TYR 24 -1.670 -9.661 -2.093 172 HE1 TYR 24 HE1 TYR 24 -5.206 -7.138 -4.387 173 HE2 TYR 24 HE2 TYR 24 -3.764 -10.780 -2.706 174 HH TYR 24 HH TYR 24 -6.056 -9.367 -4.817 175 H GLN 25 H GLN 25 0.478 -7.593 0.299 176 HA GLN 25 HA GLN 25 -1.474 -9.428 1.258 177 HB2 GLN 25 HB2 GLN 25 1.344 -8.815 2.147 178 HB3 GLN 25 HB3 GLN 25 0.337 -9.979 2.998 179 HG2 GLN 25 HG2 GLN 25 1.249 -10.148 0.116 180 HG3 GLN 25 HG3 GLN 25 1.747 -11.172 1.459 181 HE21 GLN 25 HE21 GLN 25 -0.706 -10.489 -0.865 182 HE22 GLN 25 HE22 GLN 25 -1.693 -11.876 -0.550 183 H MET 26 H MET 26 -0.258 -6.377 2.437 184 HA MET 26 HA MET 26 -1.598 -6.715 4.984 185 HB2 MET 26 HB2 MET 26 0.554 -5.679 5.072 186 HB3 MET 26 HB3 MET 26 0.112 -4.532 3.819 187 HG2 MET 26 HG2 MET 26 -1.474 -3.463 5.351 188 HG3 MET 26 HG3 MET 26 -1.023 -4.611 6.612 189 HE1 MET 26 HE1 MET 26 1.973 -1.577 4.826 190 HE2 MET 26 HE2 MET 26 0.355 -1.844 4.180 191 HE3 MET 26 HE3 MET 26 1.584 -3.101 4.035 192 H CYS 27 H CYS 27 -1.989 -4.761 2.037 193 HA CYS 27 HA CYS 27 -4.179 -3.309 3.320 194 HB2 CYS 27 HB2 CYS 27 -2.326 -2.241 1.800 195 HB3 CYS 27 HB3 CYS 27 -3.342 -2.833 0.468 196 H SER 28 H SER 28 -3.922 -6.112 1.412 197 HA SER 28 HA SER 28 -6.130 -5.838 -0.261 198 HB2 SER 28 HB2 SER 28 -6.262 -8.375 -0.199 199 HB3 SER 28 HB3 SER 28 -4.726 -7.670 -0.724 200 HG SER 28 HG SER 28 -3.782 -8.324 1.080 201 HA PRO 29 HA PRO 29 -8.934 -7.635 3.343 202 HB2 PRO 29 HB2 PRO 29 -7.506 -6.325 5.603 203 HB3 PRO 29 HB3 PRO 29 -8.373 -7.874 5.565 204 HG2 PRO 29 HG2 PRO 29 -5.724 -7.866 5.579 205 HG3 PRO 29 HG3 PRO 29 -6.606 -8.989 4.510 206 HD2 PRO 29 HD2 PRO 29 -5.252 -6.384 3.820 207 HD3 PRO 29 HD3 PRO 29 -5.248 -7.932 2.934 208 H LEU 30 H LEU 30 -7.470 -4.601 2.820 209 HA LEU 30 HA LEU 30 -9.633 -3.055 4.012 210 HB2 LEU 30 HB2 LEU 30 -7.122 -2.403 3.974 211 HB3 LEU 30 HB3 LEU 30 -7.399 -2.005 2.270 212 HG LEU 30 HG LEU 30 -8.663 -0.664 4.687 213 HD11 LEU 30 HD11 LEU 30 -6.352 -0.021 4.277 214 HD12 LEU 30 HD12 LEU 30 -7.441 1.304 3.858 215 HD13 LEU 30 HD13 LEU 30 -6.725 0.313 2.585 216 HD21 LEU 30 HD21 LEU 30 -10.277 -0.792 2.823 217 HD22 LEU 30 HD22 LEU 30 -9.090 -0.037 1.759 218 HD23 LEU 30 HD23 LEU 30 -9.741 0.862 3.129 219 H GLU 31 H GLU 31 -8.092 -3.188 0.814 220 HA GLU 31 HA GLU 31 -10.323 -1.921 -0.452 221 HB2 GLU 31 HB2 GLU 31 -7.840 -1.789 -1.120 222 HB3 GLU 31 HB3 GLU 31 -8.083 -3.371 -1.868 223 HG2 GLU 31 HG2 GLU 31 -9.856 -1.070 -2.624 224 HG3 GLU 31 HG3 GLU 31 -8.234 -1.214 -3.311 225 H ARG 32 H ARG 32 -9.312 -5.214 0.037 226 HA ARG 32 HA ARG 32 -11.605 -6.144 -1.575 227 HB2 ARG 32 HB2 ARG 32 -9.005 -7.659 -1.136 228 HB3 ARG 32 HB3 ARG 32 -10.352 -8.165 -2.157 229 HG2 ARG 32 HG2 ARG 32 -8.654 -5.707 -2.682 230 HG3 ARG 32 HG3 ARG 32 -8.346 -7.286 -3.397 231 HD2 ARG 32 HD2 ARG 32 -10.699 -5.459 -3.845 232 HD3 ARG 32 HD3 ARG 32 -9.515 -6.032 -5.008 233 HE ARG 32 HE ARG 32 -11.045 -8.145 -3.801 234 HH11 ARG 32 HH11 ARG 32 -10.924 -5.797 -6.385 235 HH12 ARG 32 HH12 ARG 32 -12.012 -6.679 -7.408 236 HH21 ARG 32 HH21 ARG 32 -12.464 -9.317 -5.135 237 HH22 ARG 32 HH22 ARG 32 -12.879 -8.696 -6.702 238 H SER 33 H SER 33 -12.250 -5.571 0.871 239 HA SER 33 HA SER 33 -11.693 -7.519 2.858 240 HB2 SER 33 HB2 SER 33 -14.236 -5.873 2.705 241 HB3 SER 33 HB3 SER 33 -13.452 -6.519 4.146 242 HG SER 33 HG SER 33 -11.617 -5.118 3.521 Start of MODEL 11 1 HA ALA 1 HA ALA 1 -17.071 3.055 1.339 2 HB1 ALA 1 HB1 ALA 1 -17.364 4.303 4.068 3 HB2 ALA 1 HB2 ALA 1 -18.373 3.025 3.395 4 HB3 ALA 1 HB3 ALA 1 -18.384 4.631 2.669 5 H SER 2 H SER 2 -14.311 3.506 1.236 6 HA SER 2 HA SER 2 -14.216 6.289 0.504 7 HB2 SER 2 HB2 SER 2 -13.803 6.316 3.029 8 HB3 SER 2 HB3 SER 2 -12.328 5.403 2.712 9 HG SER 2 HG SER 2 -11.674 7.474 2.690 10 HA PRO 3 HA PRO 3 -11.747 3.069 -1.899 11 HB2 PRO 3 HB2 PRO 3 -12.499 5.091 -3.970 12 HB3 PRO 3 HB3 PRO 3 -12.452 3.316 -4.088 13 HG2 PRO 3 HG2 PRO 3 -14.772 4.545 -3.843 14 HG3 PRO 3 HG3 PRO 3 -14.444 3.069 -2.912 15 HD2 PRO 3 HD2 PRO 3 -14.445 5.926 -1.959 16 HD3 PRO 3 HD3 PRO 3 -15.025 4.445 -1.136 17 H GLN 4 H GLN 4 -11.593 6.575 -1.774 18 HA GLN 4 HA GLN 4 -9.113 6.932 -3.005 19 HB2 GLN 4 HB2 GLN 4 -9.024 9.114 -1.977 20 HB3 GLN 4 HB3 GLN 4 -10.663 8.788 -2.516 21 HG2 GLN 4 HG2 GLN 4 -11.423 8.442 -0.285 22 HG3 GLN 4 HG3 GLN 4 -9.770 8.389 0.333 23 HE21 GLN 4 HE21 GLN 4 -10.853 10.710 -2.054 24 HE22 GLN 4 HE22 GLN 4 -10.759 12.097 -1.019 25 H GLN 5 H GLN 5 -9.890 5.888 0.238 26 HA GLN 5 HA GLN 5 -7.291 6.419 1.283 27 HB2 GLN 5 HB2 GLN 5 -7.972 5.453 3.295 28 HB3 GLN 5 HB3 GLN 5 -9.436 6.172 2.648 29 HG2 GLN 5 HG2 GLN 5 -10.229 4.018 1.919 30 HG3 GLN 5 HG3 GLN 5 -8.710 3.262 2.394 31 HE21 GLN 5 HE21 GLN 5 -8.502 4.874 4.836 32 HE22 GLN 5 HE22 GLN 5 -9.659 4.212 5.940 33 H ALA 6 H ALA 6 -8.770 3.786 -0.381 34 HA ALA 6 HA ALA 6 -6.823 1.805 0.140 35 HB1 ALA 6 HB1 ALA 6 -7.636 0.743 -1.954 36 HB2 ALA 6 HB2 ALA 6 -8.626 2.169 -2.255 37 HB3 ALA 6 HB3 ALA 6 -8.936 1.162 -0.839 38 H LYS 7 H LYS 7 -7.110 4.325 -2.306 39 HA LYS 7 HA LYS 7 -4.796 3.637 -3.768 40 HB2 LYS 7 HB2 LYS 7 -6.593 5.160 -4.585 41 HB3 LYS 7 HB3 LYS 7 -6.046 6.374 -3.439 42 HG2 LYS 7 HG2 LYS 7 -5.205 6.869 -5.645 43 HG3 LYS 7 HG3 LYS 7 -3.860 6.445 -4.552 44 HD2 LYS 7 HD2 LYS 7 -3.871 4.145 -5.475 45 HD3 LYS 7 HD3 LYS 7 -5.163 4.602 -6.589 46 HE2 LYS 7 HE2 LYS 7 -2.980 4.655 -7.709 47 HE3 LYS 7 HE3 LYS 7 -3.678 6.272 -7.609 48 HZ1 LYS 7 HZ1 LYS 7 -1.313 6.230 -7.052 49 HZ2 LYS 7 HZ2 LYS 7 -1.628 5.191 -5.758 50 HZ3 LYS 7 HZ3 LYS 7 -2.252 6.764 -5.750 51 H TYR 8 H TYR 8 -5.328 5.528 -0.879 52 HA TYR 8 HA TYR 8 -2.779 6.717 -0.649 53 HB2 TYR 8 HB2 TYR 8 -4.778 7.386 0.685 54 HB3 TYR 8 HB3 TYR 8 -4.662 5.865 1.569 55 HD1 TYR 8 HD1 TYR 8 -3.157 9.152 1.035 56 HD2 TYR 8 HD2 TYR 8 -2.989 5.552 3.284 57 HE1 TYR 8 HE1 TYR 8 -1.683 10.246 2.665 58 HE2 TYR 8 HE2 TYR 8 -1.506 6.631 4.920 59 HH TYR 8 HH TYR 8 0.089 8.559 4.967 60 H CYS 9 H CYS 9 -4.115 3.674 0.546 61 HA CYS 9 HA CYS 9 -1.875 2.843 2.025 62 HB2 CYS 9 HB2 CYS 9 -4.148 1.834 2.204 63 HB3 CYS 9 HB3 CYS 9 -3.917 1.078 0.620 64 H TYR 10 H TYR 10 -2.839 2.097 -1.319 65 HA TYR 10 HA TYR 10 -0.543 0.501 -1.845 66 HB2 TYR 10 HB2 TYR 10 -2.579 1.799 -3.669 67 HB3 TYR 10 HB3 TYR 10 -1.239 0.824 -4.273 68 HD1 TYR 10 HD1 TYR 10 -1.094 -1.587 -3.575 69 HD2 TYR 10 HD2 TYR 10 -4.557 0.781 -2.871 70 HE1 TYR 10 HE1 TYR 10 -2.434 -3.627 -3.323 71 HE2 TYR 10 HE2 TYR 10 -5.899 -1.248 -2.616 72 HH TYR 10 HH TYR 10 -5.853 -3.574 -3.303 73 H GLU 11 H GLU 11 -1.190 3.944 -2.144 74 HA GLU 11 HA GLU 11 1.080 4.400 -3.812 75 HB2 GLU 11 HB2 GLU 11 -0.849 5.964 -3.786 76 HB3 GLU 11 HB3 GLU 11 -0.430 6.420 -2.120 77 HG2 GLU 11 HG2 GLU 11 1.757 7.226 -2.922 78 HG3 GLU 11 HG3 GLU 11 1.265 6.835 -4.586 79 H GLN 12 H GLN 12 0.453 4.885 -0.324 80 HA GLN 12 HA GLN 12 3.060 6.015 0.045 81 HB2 GLN 12 HB2 GLN 12 0.973 5.223 2.078 82 HB3 GLN 12 HB3 GLN 12 2.447 6.103 2.429 83 HG2 GLN 12 HG2 GLN 12 0.314 7.052 0.554 84 HG3 GLN 12 HG3 GLN 12 0.450 7.525 2.241 85 HE21 GLN 12 HE21 GLN 12 1.757 7.840 -0.933 86 HE22 GLN 12 HE22 GLN 12 2.813 9.171 -0.596 87 H CYS 13 H CYS 13 1.762 2.818 0.166 88 HA CYS 13 HA CYS 13 3.489 1.662 2.060 89 HB2 CYS 13 HB2 CYS 13 2.924 -0.485 1.011 90 HB3 CYS 13 HB3 CYS 13 1.472 0.518 1.122 91 H ASN 14 H ASN 14 3.791 1.752 -1.492 92 HA ASN 14 HA ASN 14 6.465 0.751 -1.470 93 HB2 ASN 14 HB2 ASN 14 4.908 0.582 -3.443 94 HB3 ASN 14 HB3 ASN 14 5.124 2.311 -3.703 95 HD21 ASN 14 HD21 ASN 14 7.598 -0.024 -2.713 96 HD22 ASN 14 HD22 ASN 14 8.572 0.166 -4.132 97 H VAL 15 H VAL 15 5.085 3.946 -1.226 98 HA VAL 15 HA VAL 15 7.410 5.408 -1.904 99 HB VAL 15 HB VAL 15 4.977 6.167 -0.286 100 HG11 VAL 15 HG11 VAL 15 7.265 7.955 -1.119 101 HG12 VAL 15 HG12 VAL 15 6.882 7.470 0.531 102 HG13 VAL 15 HG13 VAL 15 5.760 8.486 -0.371 103 HG21 VAL 15 HG21 VAL 15 5.931 6.962 -3.043 104 HG22 VAL 15 HG22 VAL 15 4.469 7.553 -2.254 105 HG23 VAL 15 HG23 VAL 15 4.612 5.849 -2.681 106 H ASN 16 H ASN 16 6.097 4.302 1.232 107 HA ASN 16 HA ASN 16 8.235 5.365 2.775 108 HB2 ASN 16 HB2 ASN 16 6.430 2.979 3.334 109 HB3 ASN 16 HB3 ASN 16 7.524 3.717 4.508 110 HD21 ASN 16 HD21 ASN 16 7.007 6.431 3.629 111 HD22 ASN 16 HD22 ASN 16 5.417 6.822 4.188 112 H LYS 17 H LYS 17 7.665 1.879 2.412 113 HA LYS 17 HA LYS 17 9.643 1.325 0.582 114 HB2 LYS 17 HB2 LYS 17 11.200 2.115 2.382 115 HB3 LYS 17 HB3 LYS 17 10.646 0.759 3.377 116 HG2 LYS 17 HG2 LYS 17 11.528 -0.835 1.810 117 HG3 LYS 17 HG3 LYS 17 11.922 0.447 0.659 118 HD2 LYS 17 HD2 LYS 17 13.528 1.404 2.220 119 HD3 LYS 17 HD3 LYS 17 13.143 0.156 3.426 120 HE2 LYS 17 HE2 LYS 17 15.188 -0.423 2.251 121 HE3 LYS 17 HE3 LYS 17 13.918 -1.561 1.814 122 HZ1 LYS 17 HZ1 LYS 17 13.592 -0.382 -0.252 123 HZ2 LYS 17 HZ2 LYS 17 15.216 -0.831 -0.106 124 HZ3 LYS 17 HZ3 LYS 17 14.754 0.771 0.175 125 H VAL 18 H VAL 18 7.720 -0.024 0.075 126 HA VAL 18 HA VAL 18 8.189 -2.654 1.243 127 HB VAL 18 HB VAL 18 6.054 -3.181 1.886 128 HG11 VAL 18 HG11 VAL 18 4.993 -1.388 3.131 129 HG12 VAL 18 HG12 VAL 18 5.939 -0.188 2.250 130 HG13 VAL 18 HG13 VAL 18 6.747 -1.335 3.322 131 HG21 VAL 18 HG21 VAL 18 4.929 -1.076 0.049 132 HG22 VAL 18 HG22 VAL 18 3.999 -2.237 1.005 133 HG23 VAL 18 HG23 VAL 18 5.059 -2.804 -0.291 134 HA PRO 19 HA PRO 19 7.789 -3.824 -3.087 135 HB2 PRO 19 HB2 PRO 19 7.283 -6.521 -2.016 136 HB3 PRO 19 HB3 PRO 19 8.590 -5.965 -3.078 137 HG2 PRO 19 HG2 PRO 19 9.065 -6.628 -0.526 138 HG3 PRO 19 HG3 PRO 19 9.925 -5.297 -1.324 139 HD2 PRO 19 HD2 PRO 19 7.606 -5.159 0.590 140 HD3 PRO 19 HD3 PRO 19 9.079 -4.160 0.506 141 H PHE 20 H PHE 20 6.091 -4.648 -4.495 142 HA PHE 20 HA PHE 20 3.558 -3.773 -3.814 143 HB2 PHE 20 HB2 PHE 20 4.327 -4.171 -6.145 144 HB3 PHE 20 HB3 PHE 20 4.172 -5.904 -5.875 145 HD1 PHE 20 HD1 PHE 20 2.347 -2.744 -6.233 146 HD2 PHE 20 HD2 PHE 20 2.023 -6.972 -5.870 147 HE1 PHE 20 HE1 PHE 20 -0.016 -2.617 -6.908 148 HE2 PHE 20 HE2 PHE 20 -0.341 -6.852 -6.546 149 HZ PHE 20 HZ PHE 20 -1.362 -4.673 -7.064 150 H ASP 21 H ASP 21 4.831 -7.076 -3.621 151 HA ASP 21 HA ASP 21 2.418 -8.365 -3.009 152 HB2 ASP 21 HB2 ASP 21 3.779 -10.207 -2.160 153 HB3 ASP 21 HB3 ASP 21 4.436 -9.600 -3.676 154 H GLN 22 H GLN 22 4.825 -6.872 -0.851 155 HA GLN 22 HA GLN 22 3.445 -7.544 1.535 156 HB2 GLN 22 HB2 GLN 22 5.800 -6.852 1.593 157 HB3 GLN 22 HB3 GLN 22 5.354 -5.246 1.020 158 HG2 GLN 22 HG2 GLN 22 3.930 -5.008 3.065 159 HG3 GLN 22 HG3 GLN 22 4.635 -6.519 3.647 160 HE21 GLN 22 HE21 GLN 22 7.259 -5.924 2.515 161 HE22 GLN 22 HE22 GLN 22 7.954 -4.714 3.540 162 H CYS 23 H CYS 23 3.281 -4.843 -0.709 163 HA CYS 23 HA CYS 23 1.594 -3.187 0.839 164 HB2 CYS 23 HB2 CYS 23 2.815 -2.507 -1.306 165 HB3 CYS 23 HB3 CYS 23 1.526 -3.335 -2.184 166 H TYR 24 H TYR 24 0.899 -5.698 -1.556 167 HA TYR 24 HA TYR 24 -1.892 -5.559 -1.457 168 HB2 TYR 24 HB2 TYR 24 -0.488 -6.904 -3.094 169 HB3 TYR 24 HB3 TYR 24 -0.292 -8.111 -1.812 170 HD1 TYR 24 HD1 TYR 24 -2.587 -6.620 -4.217 171 HD2 TYR 24 HD2 TYR 24 -2.191 -9.473 -1.091 172 HE1 TYR 24 HE1 TYR 24 -4.711 -7.642 -4.891 173 HE2 TYR 24 HE2 TYR 24 -4.316 -10.508 -1.757 174 HH TYR 24 HH TYR 24 -6.386 -9.856 -2.955 175 H GLN 25 H GLN 25 0.426 -7.103 0.693 176 HA GLN 25 HA GLN 25 -1.416 -8.743 2.081 177 HB2 GLN 25 HB2 GLN 25 0.986 -9.168 2.150 178 HB3 GLN 25 HB3 GLN 25 1.265 -7.603 2.914 179 HG2 GLN 25 HG2 GLN 25 1.403 -9.400 4.545 180 HG3 GLN 25 HG3 GLN 25 0.037 -8.343 4.896 181 HE21 GLN 25 HE21 GLN 25 -1.018 -9.905 6.085 182 HE22 GLN 25 HE22 GLN 25 -1.758 -11.291 5.358 183 H MET 26 H MET 26 -0.344 -5.420 2.506 184 HA MET 26 HA MET 26 -1.759 -5.171 5.016 185 HB2 MET 26 HB2 MET 26 0.333 -4.016 4.862 186 HB3 MET 26 HB3 MET 26 -0.139 -3.251 3.355 187 HG2 MET 26 HG2 MET 26 -1.829 -1.936 4.541 188 HG3 MET 26 HG3 MET 26 -1.362 -2.706 6.057 189 HE1 MET 26 HE1 MET 26 -0.063 -0.499 3.063 190 HE2 MET 26 HE2 MET 26 1.241 -1.674 3.241 191 HE3 MET 26 HE3 MET 26 1.513 0.015 3.664 192 H CYS 27 H CYS 27 -2.115 -4.013 1.685 193 HA CYS 27 HA CYS 27 -4.358 -2.348 2.430 194 HB2 CYS 27 HB2 CYS 27 -3.299 -2.924 -0.353 195 HB3 CYS 27 HB3 CYS 27 -4.358 -1.588 0.145 196 H SER 28 H SER 28 -4.030 -5.618 1.295 197 HA SER 28 HA SER 28 -6.456 -5.783 -0.097 198 HB2 SER 28 HB2 SER 28 -6.350 -8.247 0.287 199 HB3 SER 28 HB3 SER 28 -4.879 -7.552 -0.403 200 HG SER 28 HG SER 28 -3.816 -7.971 1.391 201 HA PRO 29 HA PRO 29 -8.535 -7.061 4.197 202 HB2 PRO 29 HB2 PRO 29 -6.905 -5.168 5.832 203 HB3 PRO 29 HB3 PRO 29 -7.647 -6.711 6.303 204 HG2 PRO 29 HG2 PRO 29 -5.037 -6.607 5.868 205 HG3 PRO 29 HG3 PRO 29 -5.989 -7.982 5.252 206 HD2 PRO 29 HD2 PRO 29 -4.926 -5.592 3.766 207 HD3 PRO 29 HD3 PRO 29 -4.995 -7.299 3.261 208 H LEU 30 H LEU 30 -7.301 -4.071 3.039 209 HA LEU 30 HA LEU 30 -9.520 -2.494 4.068 210 HB2 LEU 30 HB2 LEU 30 -7.035 -1.759 3.914 211 HB3 LEU 30 HB3 LEU 30 -7.358 -1.557 2.184 212 HG LEU 30 HG LEU 30 -8.708 -0.044 4.447 213 HD11 LEU 30 HD11 LEU 30 -7.494 1.882 3.486 214 HD12 LEU 30 HD12 LEU 30 -6.670 0.781 2.382 215 HD13 LEU 30 HD13 LEU 30 -6.412 0.641 4.121 216 HD21 LEU 30 HD21 LEU 30 -9.783 1.285 2.738 217 HD22 LEU 30 HD22 LEU 30 -10.195 -0.414 2.490 218 HD23 LEU 30 HD23 LEU 30 -8.987 0.360 1.465 219 H GLU 31 H GLU 31 -8.023 -3.079 0.898 220 HA GLU 31 HA GLU 31 -10.156 -1.800 -0.485 221 HB2 GLU 31 HB2 GLU 31 -7.808 -1.803 -1.294 222 HB3 GLU 31 HB3 GLU 31 -7.941 -3.537 -1.604 223 HG2 GLU 31 HG2 GLU 31 -9.743 -3.074 -3.228 224 HG3 GLU 31 HG3 GLU 31 -9.505 -1.342 -2.969 225 H ARG 32 H ARG 32 -9.095 -5.225 -0.541 226 HA ARG 32 HA ARG 32 -11.867 -5.929 -1.222 227 HB2 ARG 32 HB2 ARG 32 -9.354 -6.865 -2.619 228 HB3 ARG 32 HB3 ARG 32 -10.854 -7.790 -2.698 229 HG2 ARG 32 HG2 ARG 32 -10.642 -4.900 -3.583 230 HG3 ARG 32 HG3 ARG 32 -10.372 -6.263 -4.670 231 HD2 ARG 32 HD2 ARG 32 -12.920 -5.396 -3.327 232 HD3 ARG 32 HD3 ARG 32 -12.597 -5.672 -5.030 233 HE ARG 32 HE ARG 32 -12.295 -8.120 -4.213 234 HH11 ARG 32 HH11 ARG 32 -14.676 -5.819 -3.070 235 HH12 ARG 32 HH12 ARG 32 -15.834 -7.041 -2.655 236 HH21 ARG 32 HH21 ARG 32 -13.827 -9.724 -3.673 237 HH22 ARG 32 HH22 ARG 32 -15.359 -9.256 -3.003 238 H SER 33 H SER 33 -12.530 -6.916 0.547 239 HA SER 33 HA SER 33 -11.130 -9.393 1.263 240 HB2 SER 33 HB2 SER 33 -12.180 -7.354 3.254 241 HB3 SER 33 HB3 SER 33 -11.668 -8.988 3.676 242 HG SER 33 HG SER 33 -9.933 -7.283 2.246 Start of MODEL 12 1 HA ALA 1 HA ALA 1 -16.087 -0.114 2.147 2 HB1 ALA 1 HB1 ALA 1 -14.666 -2.097 1.806 3 HB2 ALA 1 HB2 ALA 1 -13.985 -0.966 2.975 4 HB3 ALA 1 HB3 ALA 1 -13.335 -1.039 1.338 5 H SER 2 H SER 2 -13.275 0.905 0.187 6 HA SER 2 HA SER 2 -13.616 3.667 0.710 7 HB2 SER 2 HB2 SER 2 -12.916 2.815 3.023 8 HB3 SER 2 HB3 SER 2 -11.353 2.428 2.302 9 HG SER 2 HG SER 2 -12.369 4.841 3.072 10 HA PRO 3 HA PRO 3 -10.877 2.144 -2.788 11 HB2 PRO 3 HB2 PRO 3 -12.238 4.393 -4.161 12 HB3 PRO 3 HB3 PRO 3 -11.949 2.729 -4.715 13 HG2 PRO 3 HG2 PRO 3 -14.380 3.521 -3.963 14 HG3 PRO 3 HG3 PRO 3 -13.777 1.892 -3.595 15 HD2 PRO 3 HD2 PRO 3 -14.028 4.264 -1.755 16 HD3 PRO 3 HD3 PRO 3 -14.307 2.526 -1.425 17 H GLN 4 H GLN 4 -11.475 5.397 -1.546 18 HA GLN 4 HA GLN 4 -9.210 6.514 -2.919 19 HB2 GLN 4 HB2 GLN 4 -10.896 7.664 -0.692 20 HB3 GLN 4 HB3 GLN 4 -9.633 8.539 -1.538 21 HG2 GLN 4 HG2 GLN 4 -10.915 8.198 -3.664 22 HG3 GLN 4 HG3 GLN 4 -12.220 7.512 -2.699 23 HE21 GLN 4 HE21 GLN 4 -10.205 10.164 -1.630 24 HE22 GLN 4 HE22 GLN 4 -11.444 11.371 -1.683 25 H GLN 5 H GLN 5 -9.914 5.652 0.445 26 HA GLN 5 HA GLN 5 -7.356 6.327 1.426 27 HB2 GLN 5 HB2 GLN 5 -9.414 4.393 2.483 28 HB3 GLN 5 HB3 GLN 5 -7.912 4.742 3.319 29 HG2 GLN 5 HG2 GLN 5 -8.581 7.132 3.430 30 HG3 GLN 5 HG3 GLN 5 -10.131 6.697 2.713 31 HE21 GLN 5 HE21 GLN 5 -10.204 4.133 4.154 32 HE22 GLN 5 HE22 GLN 5 -10.613 4.524 5.789 33 H ALA 6 H ALA 6 -8.664 3.457 -0.060 34 HA ALA 6 HA ALA 6 -6.518 1.715 0.419 35 HB1 ALA 6 HB1 ALA 6 -8.697 0.981 -0.474 36 HB2 ALA 6 HB2 ALA 6 -7.336 0.409 -1.436 37 HB3 ALA 6 HB3 ALA 6 -8.305 1.764 -2.004 38 H LYS 7 H LYS 7 -7.101 4.046 -2.175 39 HA LYS 7 HA LYS 7 -4.805 3.374 -3.681 40 HB2 LYS 7 HB2 LYS 7 -6.717 4.668 -4.596 41 HB3 LYS 7 HB3 LYS 7 -6.272 6.020 -3.566 42 HG2 LYS 7 HG2 LYS 7 -5.475 6.450 -5.776 43 HG3 LYS 7 HG3 LYS 7 -4.078 6.134 -4.714 44 HD2 LYS 7 HD2 LYS 7 -4.062 3.773 -5.536 45 HD3 LYS 7 HD3 LYS 7 -5.351 4.187 -6.670 46 HE2 LYS 7 HE2 LYS 7 -3.209 4.251 -7.821 47 HE3 LYS 7 HE3 LYS 7 -3.851 5.889 -7.685 48 HZ1 LYS 7 HZ1 LYS 7 -1.774 4.690 -5.934 49 HZ2 LYS 7 HZ2 LYS 7 -2.392 6.258 -5.788 50 HZ3 LYS 7 HZ3 LYS 7 -1.500 5.826 -7.158 51 H TYR 8 H TYR 8 -5.383 5.572 -1.005 52 HA TYR 8 HA TYR 8 -2.878 6.869 -1.029 53 HB2 TYR 8 HB2 TYR 8 -4.828 7.695 0.257 54 HB3 TYR 8 HB3 TYR 8 -4.683 6.306 1.335 55 HD1 TYR 8 HD1 TYR 8 -3.263 6.379 3.201 56 HD2 TYR 8 HD2 TYR 8 -2.888 9.329 0.159 57 HE1 TYR 8 HE1 TYR 8 -1.725 7.651 4.634 58 HE2 TYR 8 HE2 TYR 8 -1.349 10.611 1.584 59 HH TYR 8 HH TYR 8 -0.809 10.870 3.935 60 H CYS 9 H CYS 9 -4.051 3.983 0.670 61 HA CYS 9 HA CYS 9 -1.724 3.354 2.077 62 HB2 CYS 9 HB2 CYS 9 -3.717 2.099 2.574 63 HB3 CYS 9 HB3 CYS 9 -3.853 1.533 0.903 64 H TYR 10 H TYR 10 -2.743 2.274 -1.136 65 HA TYR 10 HA TYR 10 -0.387 0.751 -1.597 66 HB2 TYR 10 HB2 TYR 10 -2.678 1.651 -3.338 67 HB3 TYR 10 HB3 TYR 10 -1.275 0.826 -4.024 68 HD1 TYR 10 HD1 TYR 10 -4.353 0.427 -2.154 69 HD2 TYR 10 HD2 TYR 10 -0.708 -1.454 -3.264 70 HE1 TYR 10 HE1 TYR 10 -5.296 -1.751 -1.548 71 HE2 TYR 10 HE2 TYR 10 -1.639 -3.625 -2.667 72 HH TYR 10 HH TYR 10 -4.819 -4.235 -2.280 73 H GLU 11 H GLU 11 -1.131 4.092 -2.005 74 HA GLU 11 HA GLU 11 1.018 4.577 -3.838 75 HB2 GLU 11 HB2 GLU 11 -0.936 6.077 -3.768 76 HB3 GLU 11 HB3 GLU 11 -0.538 6.521 -2.096 77 HG2 GLU 11 HG2 GLU 11 1.588 7.477 -2.885 78 HG3 GLU 11 HG3 GLU 11 1.113 7.090 -4.556 79 H GLN 12 H GLN 12 0.547 5.032 -0.322 80 HA GLN 12 HA GLN 12 3.148 6.240 -0.079 81 HB2 GLN 12 HB2 GLN 12 1.178 5.475 2.083 82 HB3 GLN 12 HB3 GLN 12 2.606 6.468 2.289 83 HG2 GLN 12 HG2 GLN 12 0.322 7.155 0.483 84 HG3 GLN 12 HG3 GLN 12 0.508 7.740 2.130 85 HE21 GLN 12 HE21 GLN 12 1.707 7.877 -1.104 86 HE22 GLN 12 HE22 GLN 12 2.661 9.311 -0.915 87 H CYS 13 H CYS 13 1.899 3.031 0.177 88 HA CYS 13 HA CYS 13 3.598 2.018 2.167 89 HB2 CYS 13 HB2 CYS 13 3.078 -0.216 1.215 90 HB3 CYS 13 HB3 CYS 13 1.627 0.775 1.410 91 H ASN 14 H ASN 14 3.995 1.834 -1.387 92 HA ASN 14 HA ASN 14 6.660 0.829 -1.171 93 HB2 ASN 14 HB2 ASN 14 6.792 1.320 -3.624 94 HB3 ASN 14 HB3 ASN 14 5.421 0.326 -3.164 95 HD21 ASN 14 HD21 ASN 14 6.394 3.532 -4.274 96 HD22 ASN 14 HD22 ASN 14 4.805 4.019 -4.757 97 H VAL 15 H VAL 15 5.292 4.037 -1.321 98 HA VAL 15 HA VAL 15 7.654 5.453 -1.914 99 HB VAL 15 HB VAL 15 5.176 6.293 -0.400 100 HG11 VAL 15 HG11 VAL 15 7.058 7.638 0.393 101 HG12 VAL 15 HG12 VAL 15 5.965 8.607 -0.597 102 HG13 VAL 15 HG13 VAL 15 7.489 8.031 -1.272 103 HG21 VAL 15 HG21 VAL 15 4.700 7.573 -2.439 104 HG22 VAL 15 HG22 VAL 15 4.865 5.852 -2.789 105 HG23 VAL 15 HG23 VAL 15 6.183 6.960 -3.172 106 H ASN 16 H ASN 16 6.305 4.219 1.115 107 HA ASN 16 HA ASN 16 8.406 5.345 2.722 108 HB2 ASN 16 HB2 ASN 16 6.460 3.093 3.321 109 HB3 ASN 16 HB3 ASN 16 7.577 3.803 4.492 110 HD21 ASN 16 HD21 ASN 16 7.208 6.496 3.359 111 HD22 ASN 16 HD22 ASN 16 5.654 7.019 3.913 112 H LYS 17 H LYS 17 7.669 1.881 2.389 113 HA LYS 17 HA LYS 17 9.823 1.176 0.801 114 HB2 LYS 17 HB2 LYS 17 11.155 1.953 2.796 115 HB3 LYS 17 HB3 LYS 17 10.421 0.630 3.712 116 HG2 LYS 17 HG2 LYS 17 11.413 -0.993 2.157 117 HG3 LYS 17 HG3 LYS 17 12.168 0.335 1.266 118 HD2 LYS 17 HD2 LYS 17 13.407 1.010 3.259 119 HD3 LYS 17 HD3 LYS 17 12.660 -0.301 4.196 120 HE2 LYS 17 HE2 LYS 17 14.847 -1.020 3.529 121 HE3 LYS 17 HE3 LYS 17 13.677 -1.908 2.552 122 HZ1 LYS 17 HZ1 LYS 17 14.073 -0.334 0.746 123 HZ2 LYS 17 HZ2 LYS 17 15.498 -1.123 1.200 124 HZ3 LYS 17 HZ3 LYS 17 15.225 0.472 1.686 125 H VAL 18 H VAL 18 7.867 -0.082 0.114 126 HA VAL 18 HA VAL 18 8.122 -2.739 1.256 127 HB VAL 18 HB VAL 18 5.983 -3.170 1.938 128 HG11 VAL 18 HG11 VAL 18 4.957 -1.356 3.181 129 HG12 VAL 18 HG12 VAL 18 5.936 -0.177 2.308 130 HG13 VAL 18 HG13 VAL 18 6.711 -1.346 3.378 131 HG21 VAL 18 HG21 VAL 18 3.950 -2.149 1.069 132 HG22 VAL 18 HG22 VAL 18 4.976 -2.787 -0.222 133 HG23 VAL 18 HG23 VAL 18 4.921 -1.048 0.086 134 HA PRO 19 HA PRO 19 7.617 -3.716 -3.113 135 HB2 PRO 19 HB2 PRO 19 6.916 -6.419 -2.217 136 HB3 PRO 19 HB3 PRO 19 8.294 -5.891 -3.199 137 HG2 PRO 19 HG2 PRO 19 8.587 -6.751 -0.656 138 HG3 PRO 19 HG3 PRO 19 9.625 -5.509 -1.379 139 HD2 PRO 19 HD2 PRO 19 7.334 -5.172 0.526 140 HD3 PRO 19 HD3 PRO 19 8.887 -4.311 0.440 141 H PHE 20 H PHE 20 5.868 -4.283 -4.557 142 HA PHE 20 HA PHE 20 3.351 -3.412 -3.810 143 HB2 PHE 20 HB2 PHE 20 4.093 -3.678 -6.169 144 HB3 PHE 20 HB3 PHE 20 3.925 -5.421 -6.007 145 HD1 PHE 20 HD1 PHE 20 2.154 -2.241 -6.283 146 HD2 PHE 20 HD2 PHE 20 1.733 -6.462 -5.937 147 HE1 PHE 20 HE1 PHE 20 -0.208 -2.059 -6.946 148 HE2 PHE 20 HE2 PHE 20 -0.629 -6.284 -6.600 149 HZ PHE 20 HZ PHE 20 -1.602 -4.080 -7.105 150 H ASP 21 H ASP 21 4.523 -6.771 -3.920 151 HA ASP 21 HA ASP 21 2.088 -8.012 -3.307 152 HB2 ASP 21 HB2 ASP 21 3.450 -9.948 -2.567 153 HB3 ASP 21 HB3 ASP 21 3.941 -9.328 -4.140 154 H GLN 22 H GLN 22 4.630 -6.795 -1.159 155 HA GLN 22 HA GLN 22 3.388 -7.621 1.242 156 HB2 GLN 22 HB2 GLN 22 5.770 -6.993 1.119 157 HB3 GLN 22 HB3 GLN 22 5.306 -5.327 0.783 158 HG2 GLN 22 HG2 GLN 22 4.177 -5.234 2.973 159 HG3 GLN 22 HG3 GLN 22 4.759 -6.870 3.307 160 HE21 GLN 22 HE21 GLN 22 5.288 -4.368 4.710 161 HE22 GLN 22 HE22 GLN 22 7.010 -4.178 4.715 162 H CYS 23 H CYS 23 3.137 -4.730 -0.751 163 HA CYS 23 HA CYS 23 1.597 -3.186 1.054 164 HB2 CYS 23 HB2 CYS 23 2.701 -2.357 -1.112 165 HB3 CYS 23 HB3 CYS 23 1.319 -3.057 -1.959 166 H TYR 24 H TYR 24 0.703 -5.495 -1.470 167 HA TYR 24 HA TYR 24 -2.082 -5.384 -1.094 168 HB2 TYR 24 HB2 TYR 24 -0.889 -6.530 -3.019 169 HB3 TYR 24 HB3 TYR 24 -0.490 -7.838 -1.896 170 HD1 TYR 24 HD1 TYR 24 -3.311 -6.050 -3.498 171 HD2 TYR 24 HD2 TYR 24 -2.060 -9.537 -1.410 172 HE1 TYR 24 HE1 TYR 24 -5.473 -7.105 -3.983 173 HE2 TYR 24 HE2 TYR 24 -4.219 -10.604 -1.893 174 HH TYR 24 HH TYR 24 -6.449 -9.345 -4.161 175 H GLN 25 H GLN 25 0.443 -6.999 0.713 176 HA GLN 25 HA GLN 25 -1.230 -8.936 1.956 177 HB2 GLN 25 HB2 GLN 25 1.429 -7.767 2.837 178 HB3 GLN 25 HB3 GLN 25 0.630 -9.086 3.676 179 HG2 GLN 25 HG2 GLN 25 0.827 -10.488 1.654 180 HG3 GLN 25 HG3 GLN 25 1.635 -9.167 0.816 181 HE21 GLN 25 HE21 GLN 25 3.031 -8.395 3.335 182 HE22 GLN 25 HE22 GLN 25 4.313 -9.550 3.490 183 H MET 26 H MET 26 -0.345 -5.637 2.726 184 HA MET 26 HA MET 26 -1.517 -5.759 5.353 185 HB2 MET 26 HB2 MET 26 0.371 -4.365 5.219 186 HB3 MET 26 HB3 MET 26 -0.173 -3.631 3.720 187 HG2 MET 26 HG2 MET 26 -1.945 -2.454 4.939 188 HG3 MET 26 HG3 MET 26 -1.382 -3.180 6.443 189 HE1 MET 26 HE1 MET 26 1.307 -0.336 3.978 190 HE2 MET 26 HE2 MET 26 -0.167 -1.071 3.347 191 HE3 MET 26 HE3 MET 26 1.247 -2.071 3.684 192 H CYS 27 H CYS 27 -2.365 -4.194 2.258 193 HA CYS 27 HA CYS 27 -4.827 -3.277 3.560 194 HB2 CYS 27 HB2 CYS 27 -3.319 -2.203 1.183 195 HB3 CYS 27 HB3 CYS 27 -5.008 -1.754 1.496 196 H SER 28 H SER 28 -4.085 -5.924 1.842 197 HA SER 28 HA SER 28 -6.079 -6.125 -0.064 198 HB2 SER 28 HB2 SER 28 -6.132 -8.633 0.652 199 HB3 SER 28 HB3 SER 28 -4.667 -7.955 -0.073 200 HG SER 28 HG SER 28 -3.656 -8.056 1.804 201 HA PRO 29 HA PRO 29 -9.279 -7.390 3.433 202 HB2 PRO 29 HB2 PRO 29 -8.135 -5.759 5.644 203 HB3 PRO 29 HB3 PRO 29 -8.967 -7.326 5.713 204 HG2 PRO 29 HG2 PRO 29 -6.336 -7.229 6.033 205 HG3 PRO 29 HG3 PRO 29 -7.069 -8.515 5.038 206 HD2 PRO 29 HD2 PRO 29 -5.686 -5.988 4.149 207 HD3 PRO 29 HD3 PRO 29 -5.548 -7.641 3.496 208 H LEU 30 H LEU 30 -7.713 -4.438 2.766 209 HA LEU 30 HA LEU 30 -10.007 -2.768 3.446 210 HB2 LEU 30 HB2 LEU 30 -7.478 -2.198 3.780 211 HB3 LEU 30 HB3 LEU 30 -7.497 -1.862 2.042 212 HG LEU 30 HG LEU 30 -9.069 -0.413 4.197 213 HD11 LEU 30 HD11 LEU 30 -7.682 1.506 3.439 214 HD12 LEU 30 HD12 LEU 30 -6.769 0.395 2.416 215 HD13 LEU 30 HD13 LEU 30 -6.745 0.203 4.168 216 HD21 LEU 30 HD21 LEU 30 -9.815 1.093 2.408 217 HD22 LEU 30 HD22 LEU 30 -10.415 -0.549 2.163 218 HD23 LEU 30 HD23 LEU 30 -9.057 0.045 1.209 219 H GLU 31 H GLU 31 -7.952 -3.357 0.623 220 HA GLU 31 HA GLU 31 -9.816 -2.096 -1.172 221 HB2 GLU 31 HB2 GLU 31 -7.208 -2.149 -1.262 222 HB3 GLU 31 HB3 GLU 31 -7.433 -3.729 -2.021 223 HG2 GLU 31 HG2 GLU 31 -8.740 -1.247 -3.116 224 HG3 GLU 31 HG3 GLU 31 -7.088 -1.709 -3.543 225 H ARG 32 H ARG 32 -8.538 -5.386 -0.820 226 HA ARG 32 HA ARG 32 -9.402 -7.447 -1.252 227 HB2 ARG 32 HB2 ARG 32 -11.227 -6.763 0.194 228 HB3 ARG 32 HB3 ARG 32 -12.006 -5.899 -1.138 229 HG2 ARG 32 HG2 ARG 32 -12.368 -8.046 -2.308 230 HG3 ARG 32 HG3 ARG 32 -11.607 -8.899 -0.966 231 HD2 ARG 32 HD2 ARG 32 -14.164 -8.812 -1.040 232 HD3 ARG 32 HD3 ARG 32 -13.378 -8.443 0.490 233 HE ARG 32 HE ARG 32 -13.657 -6.002 -0.423 234 HH11 ARG 32 HH11 ARG 32 -15.933 -8.635 -0.724 235 HH12 ARG 32 HH12 ARG 32 -17.327 -7.608 -0.652 236 HH21 ARG 32 HH21 ARG 32 -15.480 -4.641 -0.332 237 HH22 ARG 32 HH22 ARG 32 -17.070 -5.329 -0.432 238 H SER 33 H SER 33 -8.512 -7.836 -3.221 239 HA SER 33 HA SER 33 -10.419 -7.846 -5.422 240 HB2 SER 33 HB2 SER 33 -8.439 -7.126 -6.952 241 HB3 SER 33 HB3 SER 33 -9.297 -5.877 -6.050 242 HG SER 33 HG SER 33 -7.562 -5.483 -4.940 Start of MODEL 13 1 HA ALA 1 HA ALA 1 -16.583 2.864 -0.832 2 HB1 ALA 1 HB1 ALA 1 -18.804 3.264 -1.784 3 HB2 ALA 1 HB2 ALA 1 -17.554 4.157 -2.651 4 HB3 ALA 1 HB3 ALA 1 -18.605 4.994 -1.510 5 H SER 2 H SER 2 -14.605 3.663 -0.999 6 HA SER 2 HA SER 2 -14.078 6.475 -1.165 7 HB2 SER 2 HB2 SER 2 -14.395 6.041 1.365 8 HB3 SER 2 HB3 SER 2 -12.895 5.119 1.272 9 HG SER 2 HG SER 2 -12.728 7.421 1.849 10 HA PRO 3 HA PRO 3 -11.237 3.310 -3.160 11 HB2 PRO 3 HB2 PRO 3 -11.295 5.363 -5.304 12 HB3 PRO 3 HB3 PRO 3 -11.459 3.598 -5.418 13 HG2 PRO 3 HG2 PRO 3 -13.574 5.188 -5.720 14 HG3 PRO 3 HG3 PRO 3 -13.700 3.634 -4.868 15 HD2 PRO 3 HD2 PRO 3 -13.594 6.415 -3.707 16 HD3 PRO 3 HD3 PRO 3 -14.547 4.991 -3.181 17 H GLN 4 H GLN 4 -10.999 6.694 -2.464 18 HA GLN 4 HA GLN 4 -8.282 7.023 -3.256 19 HB2 GLN 4 HB2 GLN 4 -10.014 8.635 -1.387 20 HB3 GLN 4 HB3 GLN 4 -8.363 9.075 -1.804 21 HG2 GLN 4 HG2 GLN 4 -10.627 8.777 -3.783 22 HG3 GLN 4 HG3 GLN 4 -10.027 10.307 -3.145 23 HE21 GLN 4 HE21 GLN 4 -7.236 9.450 -3.195 24 HE22 GLN 4 HE22 GLN 4 -6.763 9.469 -4.863 25 H GLN 5 H GLN 5 -9.857 6.100 -0.250 26 HA GLN 5 HA GLN 5 -7.550 6.304 1.367 27 HB2 GLN 5 HB2 GLN 5 -8.745 5.192 3.075 28 HB3 GLN 5 HB3 GLN 5 -9.946 6.118 2.189 29 HG2 GLN 5 HG2 GLN 5 -10.664 4.104 1.022 30 HG3 GLN 5 HG3 GLN 5 -9.419 3.174 1.849 31 HE21 GLN 5 HE21 GLN 5 -11.241 5.691 3.442 32 HE22 GLN 5 HE22 GLN 5 -12.155 4.641 4.470 33 H ALA 6 H ALA 6 -8.836 3.729 -0.608 34 HA ALA 6 HA ALA 6 -6.892 1.778 0.129 35 HB1 ALA 6 HB1 ALA 6 -7.587 0.627 -1.969 36 HB2 ALA 6 HB2 ALA 6 -8.620 2.006 -2.336 37 HB3 ALA 6 HB3 ALA 6 -8.934 1.029 -0.902 38 H LYS 7 H LYS 7 -7.145 4.129 -2.486 39 HA LYS 7 HA LYS 7 -4.824 3.430 -3.891 40 HB2 LYS 7 HB2 LYS 7 -6.490 4.912 -4.856 41 HB3 LYS 7 HB3 LYS 7 -6.221 6.101 -3.592 42 HG2 LYS 7 HG2 LYS 7 -5.171 6.845 -5.604 43 HG3 LYS 7 HG3 LYS 7 -3.914 6.420 -4.415 44 HD2 LYS 7 HD2 LYS 7 -3.710 4.189 -5.535 45 HD3 LYS 7 HD3 LYS 7 -4.835 4.750 -6.779 46 HE2 LYS 7 HE2 LYS 7 -2.514 5.001 -7.531 47 HE3 LYS 7 HE3 LYS 7 -3.286 6.575 -7.339 48 HZ1 LYS 7 HZ1 LYS 7 -2.201 6.795 -5.173 49 HZ2 LYS 7 HZ2 LYS 7 -1.068 6.583 -6.414 50 HZ3 LYS 7 HZ3 LYS 7 -1.453 5.293 -5.395 51 H TYR 8 H TYR 8 -5.344 5.560 -1.152 52 HA TYR 8 HA TYR 8 -2.741 6.651 -1.002 53 HB2 TYR 8 HB2 TYR 8 -4.844 7.535 0.096 54 HB3 TYR 8 HB3 TYR 8 -4.705 6.221 1.263 55 HD1 TYR 8 HD1 TYR 8 -3.049 9.276 0.009 56 HD2 TYR 8 HD2 TYR 8 -3.284 6.400 3.131 57 HE1 TYR 8 HE1 TYR 8 -1.650 10.714 1.428 58 HE2 TYR 8 HE2 TYR 8 -1.880 7.823 4.561 59 HH TYR 8 HH TYR 8 -0.107 9.677 4.150 60 H CYS 9 H CYS 9 -4.231 3.779 0.403 61 HA CYS 9 HA CYS 9 -2.199 3.097 2.224 62 HB2 CYS 9 HB2 CYS 9 -4.528 2.098 2.099 63 HB3 CYS 9 HB3 CYS 9 -3.969 1.121 0.735 64 H TYR 10 H TYR 10 -2.685 2.224 -1.166 65 HA TYR 10 HA TYR 10 -0.440 0.459 -1.259 66 HB2 TYR 10 HB2 TYR 10 -2.251 1.612 -3.383 67 HB3 TYR 10 HB3 TYR 10 -0.860 0.596 -3.780 68 HD1 TYR 10 HD1 TYR 10 -0.781 -1.733 -2.966 69 HD2 TYR 10 HD2 TYR 10 -4.276 0.653 -2.552 70 HE1 TYR 10 HE1 TYR 10 -2.113 -3.749 -2.609 71 HE2 TYR 10 HE2 TYR 10 -5.613 -1.362 -2.188 72 HH TYR 10 HH TYR 10 -5.455 -3.815 -2.790 73 H GLU 11 H GLU 11 -0.958 3.842 -2.245 74 HA GLU 11 HA GLU 11 1.529 3.998 -3.610 75 HB2 GLU 11 HB2 GLU 11 1.117 6.378 -3.776 76 HB3 GLU 11 HB3 GLU 11 -0.359 5.472 -4.145 77 HG2 GLU 11 HG2 GLU 11 -1.226 5.973 -1.941 78 HG3 GLU 11 HG3 GLU 11 0.266 6.867 -1.553 79 H GLN 12 H GLN 12 0.510 4.772 -0.313 80 HA GLN 12 HA GLN 12 2.944 6.002 0.420 81 HB2 GLN 12 HB2 GLN 12 0.738 4.727 2.016 82 HB3 GLN 12 HB3 GLN 12 2.179 5.369 2.787 83 HG2 GLN 12 HG2 GLN 12 0.660 7.069 0.887 84 HG3 GLN 12 HG3 GLN 12 0.050 6.824 2.516 85 HE21 GLN 12 HE21 GLN 12 3.466 6.823 1.887 86 HE22 GLN 12 HE22 GLN 12 3.801 8.349 2.633 87 H CYS 13 H CYS 13 2.024 2.687 0.039 88 HA CYS 13 HA CYS 13 3.942 1.462 1.647 89 HB2 CYS 13 HB2 CYS 13 2.641 0.600 -0.936 90 HB3 CYS 13 HB3 CYS 13 3.868 -0.393 -0.146 91 H ASN 14 H ASN 14 4.242 2.379 -1.816 92 HA ASN 14 HA ASN 14 7.009 1.656 -1.855 93 HB2 ASN 14 HB2 ASN 14 7.011 2.800 -4.102 94 HB3 ASN 14 HB3 ASN 14 5.830 1.512 -3.922 95 HD21 ASN 14 HD21 ASN 14 6.219 5.035 -4.044 96 HD22 ASN 14 HD22 ASN 14 4.569 5.354 -4.452 97 H VAL 15 H VAL 15 5.248 4.566 -1.154 98 HA VAL 15 HA VAL 15 7.403 6.378 -1.335 99 HB VAL 15 HB VAL 15 4.891 6.508 0.345 100 HG11 VAL 15 HG11 VAL 15 6.623 7.897 1.363 101 HG12 VAL 15 HG12 VAL 15 5.380 8.904 0.618 102 HG13 VAL 15 HG13 VAL 15 6.929 8.675 -0.191 103 HG21 VAL 15 HG21 VAL 15 4.493 6.549 -2.071 104 HG22 VAL 15 HG22 VAL 15 5.648 7.871 -2.246 105 HG23 VAL 15 HG23 VAL 15 4.148 8.124 -1.353 106 H ASN 16 H ASN 16 6.246 4.270 1.284 107 HA ASN 16 HA ASN 16 8.234 5.313 3.114 108 HB2 ASN 16 HB2 ASN 16 6.469 2.850 3.345 109 HB3 ASN 16 HB3 ASN 16 7.491 3.503 4.629 110 HD21 ASN 16 HD21 ASN 16 6.888 6.271 3.938 111 HD22 ASN 16 HD22 ASN 16 5.273 6.549 4.499 112 H LYS 17 H LYS 17 7.705 1.896 2.369 113 HA LYS 17 HA LYS 17 9.723 1.395 0.599 114 HB2 LYS 17 HB2 LYS 17 10.727 1.475 3.377 115 HB3 LYS 17 HB3 LYS 17 11.179 0.047 2.439 116 HG2 LYS 17 HG2 LYS 17 12.159 1.483 0.716 117 HG3 LYS 17 HG3 LYS 17 11.687 2.919 1.634 118 HD2 LYS 17 HD2 LYS 17 13.080 1.996 3.555 119 HD3 LYS 17 HD3 LYS 17 13.677 0.779 2.405 120 HE2 LYS 17 HE2 LYS 17 13.949 3.775 2.133 121 HE3 LYS 17 HE3 LYS 17 15.234 2.643 2.548 122 HZ1 LYS 17 HZ1 LYS 17 14.980 1.617 0.377 123 HZ2 LYS 17 HZ2 LYS 17 15.318 3.267 0.218 124 HZ3 LYS 17 HZ3 LYS 17 13.743 2.700 -0.021 125 H VAL 18 H VAL 18 7.895 0.032 -0.050 126 HA VAL 18 HA VAL 18 8.209 -2.629 0.962 127 HB VAL 18 HB VAL 18 6.588 -2.664 2.510 128 HG11 VAL 18 HG11 VAL 18 6.634 -0.244 2.720 129 HG12 VAL 18 HG12 VAL 18 4.992 -0.861 2.913 130 HG13 VAL 18 HG13 VAL 18 5.475 -0.094 1.401 131 HG21 VAL 18 HG21 VAL 18 4.282 -2.908 1.759 132 HG22 VAL 18 HG22 VAL 18 5.391 -3.746 0.670 133 HG23 VAL 18 HG23 VAL 18 4.704 -2.194 0.201 134 HA PRO 19 HA PRO 19 7.312 -3.397 -3.343 135 HB2 PRO 19 HB2 PRO 19 6.981 -6.181 -2.415 136 HB3 PRO 19 HB3 PRO 19 8.102 -5.524 -3.622 137 HG2 PRO 19 HG2 PRO 19 8.965 -6.336 -1.215 138 HG3 PRO 19 HG3 PRO 19 9.677 -4.942 -2.050 139 HD2 PRO 19 HD2 PRO 19 7.734 -4.981 0.238 140 HD3 PRO 19 HD3 PRO 19 9.115 -3.901 -0.077 141 H PHE 20 H PHE 20 5.489 -4.032 -4.635 142 HA PHE 20 HA PHE 20 3.036 -3.360 -3.535 143 HB2 PHE 20 HB2 PHE 20 3.557 -3.310 -5.972 144 HB3 PHE 20 HB3 PHE 20 3.410 -5.064 -6.006 145 HD1 PHE 20 HD1 PHE 20 1.264 -6.131 -5.922 146 HD2 PHE 20 HD2 PHE 20 1.607 -1.905 -5.585 147 HE1 PHE 20 HE1 PHE 20 -1.161 -5.911 -6.269 148 HE2 PHE 20 HE2 PHE 20 -0.816 -1.677 -5.931 149 HZ PHE 20 HZ PHE 20 -2.204 -3.680 -6.272 150 H ASP 21 H ASP 21 4.331 -6.615 -4.129 151 HA ASP 21 HA ASP 21 1.969 -8.019 -3.546 152 HB2 ASP 21 HB2 ASP 21 3.379 -9.999 -3.284 153 HB3 ASP 21 HB3 ASP 21 3.867 -9.073 -4.699 154 H GLN 22 H GLN 22 4.616 -6.985 -1.442 155 HA GLN 22 HA GLN 22 3.507 -8.143 0.908 156 HB2 GLN 22 HB2 GLN 22 5.865 -7.624 0.846 157 HB3 GLN 22 HB3 GLN 22 5.531 -5.926 0.537 158 HG2 GLN 22 HG2 GLN 22 4.398 -5.832 2.764 159 HG3 GLN 22 HG3 GLN 22 4.986 -7.472 3.055 160 HE21 GLN 22 HE21 GLN 22 7.499 -7.023 1.658 161 HE22 GLN 22 HE22 GLN 22 8.465 -6.046 2.713 162 H CYS 23 H CYS 23 3.229 -4.995 -0.672 163 HA CYS 23 HA CYS 23 1.765 -3.681 1.357 164 HB2 CYS 23 HB2 CYS 23 2.739 -2.568 -0.706 165 HB3 CYS 23 HB3 CYS 23 1.392 -3.246 -1.618 166 H TYR 24 H TYR 24 0.780 -5.735 -1.317 167 HA TYR 24 HA TYR 24 -1.986 -5.545 -1.058 168 HB2 TYR 24 HB2 TYR 24 -0.667 -6.726 -2.903 169 HB3 TYR 24 HB3 TYR 24 -0.509 -8.088 -1.783 170 HD1 TYR 24 HD1 TYR 24 -2.494 -9.383 -1.123 171 HD2 TYR 24 HD2 TYR 24 -2.738 -6.252 -3.988 172 HE1 TYR 24 HE1 TYR 24 -4.683 -10.220 -1.841 173 HE2 TYR 24 HE2 TYR 24 -4.930 -7.078 -4.714 174 HH TYR 24 HH TYR 24 -6.674 -9.467 -2.961 175 H GLN 25 H GLN 25 0.347 -7.214 0.909 176 HA GLN 25 HA GLN 25 -1.589 -8.979 2.099 177 HB2 GLN 25 HB2 GLN 25 1.274 -8.293 2.788 178 HB3 GLN 25 HB3 GLN 25 0.296 -9.359 3.795 179 HG2 GLN 25 HG2 GLN 25 0.896 -9.843 0.867 180 HG3 GLN 25 HG3 GLN 25 1.748 -10.592 2.215 181 HE21 GLN 25 HE21 GLN 25 0.153 -11.737 0.041 182 HE22 GLN 25 HE22 GLN 25 -1.080 -12.680 0.808 183 H MET 26 H MET 26 -0.378 -5.781 2.727 184 HA MET 26 HA MET 26 -1.600 -5.708 5.360 185 HB2 MET 26 HB2 MET 26 0.523 -4.611 5.192 186 HB3 MET 26 HB3 MET 26 0.002 -3.705 3.781 187 HG2 MET 26 HG2 MET 26 -1.588 -2.453 5.169 188 HG3 MET 26 HG3 MET 26 -1.049 -3.354 6.585 189 HE1 MET 26 HE1 MET 26 1.738 -0.498 4.241 190 HE2 MET 26 HE2 MET 26 0.109 -0.917 3.713 191 HE3 MET 26 HE3 MET 26 1.384 -2.133 3.691 192 H CYS 27 H CYS 27 -2.054 -4.122 2.191 193 HA CYS 27 HA CYS 27 -4.322 -2.632 3.215 194 HB2 CYS 27 HB2 CYS 27 -3.281 -2.805 0.363 195 HB3 CYS 27 HB3 CYS 27 -4.458 -1.632 0.985 196 H SER 28 H SER 28 -4.045 -5.784 2.197 197 HA SER 28 HA SER 28 -6.187 -6.096 0.449 198 HB2 SER 28 HB2 SER 28 -6.266 -8.496 1.488 199 HB3 SER 28 HB3 SER 28 -4.876 -7.978 0.527 200 HG SER 28 HG SER 28 -3.660 -8.081 2.231 201 HA PRO 29 HA PRO 29 -9.129 -6.946 4.288 202 HB2 PRO 29 HB2 PRO 29 -7.809 -5.106 6.222 203 HB3 PRO 29 HB3 PRO 29 -8.659 -6.635 6.523 204 HG2 PRO 29 HG2 PRO 29 -6.006 -6.564 6.633 205 HG3 PRO 29 HG3 PRO 29 -6.837 -7.936 5.855 206 HD2 PRO 29 HD2 PRO 29 -5.462 -5.579 4.579 207 HD3 PRO 29 HD3 PRO 29 -5.441 -7.296 4.103 208 H LEU 30 H LEU 30 -7.574 -4.079 3.262 209 HA LEU 30 HA LEU 30 -9.820 -2.347 3.892 210 HB2 LEU 30 HB2 LEU 30 -7.293 -1.748 4.051 211 HB3 LEU 30 HB3 LEU 30 -7.384 -1.593 2.289 212 HG LEU 30 HG LEU 30 -8.911 0.059 4.330 213 HD11 LEU 30 HD11 LEU 30 -6.645 0.714 2.450 214 HD12 LEU 30 HD12 LEU 30 -6.572 0.652 4.212 215 HD13 LEU 30 HD13 LEU 30 -7.534 1.896 3.411 216 HD21 LEU 30 HD21 LEU 30 -9.786 1.333 2.491 217 HD22 LEU 30 HD22 LEU 30 -10.192 -0.364 2.225 218 HD23 LEU 30 HD23 LEU 30 -8.869 0.380 1.327 219 H GLU 31 H GLU 31 -7.916 -3.099 0.980 220 HA GLU 31 HA GLU 31 -9.898 -1.912 -0.713 221 HB2 GLU 31 HB2 GLU 31 -7.478 -1.814 -1.248 222 HB3 GLU 31 HB3 GLU 31 -7.479 -3.566 -1.482 223 HG2 GLU 31 HG2 GLU 31 -9.171 -3.247 -3.292 224 HG3 GLU 31 HG3 GLU 31 -8.932 -1.503 -3.141 225 H ARG 32 H ARG 32 -9.335 -5.128 0.427 226 HA ARG 32 HA ARG 32 -11.185 -6.152 -1.634 227 HB2 ARG 32 HB2 ARG 32 -9.168 -7.807 -0.084 228 HB3 ARG 32 HB3 ARG 32 -10.149 -8.337 -1.452 229 HG2 ARG 32 HG2 ARG 32 -7.893 -6.305 -1.574 230 HG3 ARG 32 HG3 ARG 32 -7.784 -7.987 -2.082 231 HD2 ARG 32 HD2 ARG 32 -9.343 -5.739 -3.348 232 HD3 ARG 32 HD3 ARG 32 -8.066 -6.726 -4.046 233 HE ARG 32 HE ARG 32 -10.115 -8.465 -3.393 234 HH11 ARG 32 HH11 ARG 32 -9.583 -5.765 -5.555 235 HH12 ARG 32 HH12 ARG 32 -10.774 -6.284 -6.704 236 HH21 ARG 32 HH21 ARG 32 -11.680 -9.158 -4.921 237 HH22 ARG 32 HH22 ARG 32 -11.965 -8.202 -6.341 238 H SER 33 H SER 33 -13.126 -6.534 -0.857 239 HA SER 33 HA SER 33 -13.425 -8.000 1.631 240 HB2 SER 33 HB2 SER 33 -14.788 -5.307 1.251 241 HB3 SER 33 HB3 SER 33 -15.047 -6.413 2.599 242 HG SER 33 HG SER 33 -12.421 -5.950 2.329 Start of MODEL 14 1 HA ALA 1 HA ALA 1 -15.180 0.296 0.871 2 HB1 ALA 1 HB1 ALA 1 -17.715 1.439 2.034 3 HB2 ALA 1 HB2 ALA 1 -17.575 -0.073 1.135 4 HB3 ALA 1 HB3 ALA 1 -17.255 1.464 0.331 5 H SER 2 H SER 2 -13.422 1.603 0.911 6 HA SER 2 HA SER 2 -13.913 4.441 1.160 7 HB2 SER 2 HB2 SER 2 -11.925 3.066 3.008 8 HB3 SER 2 HB3 SER 2 -11.989 4.808 2.747 9 HG SER 2 HG SER 2 -14.411 3.671 3.396 10 HA PRO 3 HA PRO 3 -11.069 2.713 -2.224 11 HB2 PRO 3 HB2 PRO 3 -12.462 5.026 -3.515 12 HB3 PRO 3 HB3 PRO 3 -11.999 3.455 -4.212 13 HG2 PRO 3 HG2 PRO 3 -14.507 3.870 -3.546 14 HG3 PRO 3 HG3 PRO 3 -13.726 2.331 -3.118 15 HD2 PRO 3 HD2 PRO 3 -14.339 4.683 -1.333 16 HD3 PRO 3 HD3 PRO 3 -14.453 2.927 -0.992 17 H GLN 4 H GLN 4 -11.675 6.052 -1.168 18 HA GLN 4 HA GLN 4 -9.408 7.131 -2.460 19 HB2 GLN 4 HB2 GLN 4 -9.879 9.170 -1.377 20 HB3 GLN 4 HB3 GLN 4 -11.434 8.418 -1.683 21 HG2 GLN 4 HG2 GLN 4 -11.778 9.122 0.461 22 HG3 GLN 4 HG3 GLN 4 -11.088 7.535 0.793 23 HE21 GLN 4 HE21 GLN 4 -9.165 10.228 -0.358 24 HE22 GLN 4 HE22 GLN 4 -8.285 10.465 1.113 25 H GLN 5 H GLN 5 -9.873 5.942 0.837 26 HA GLN 5 HA GLN 5 -7.213 6.688 1.597 27 HB2 GLN 5 HB2 GLN 5 -7.632 5.787 3.718 28 HB3 GLN 5 HB3 GLN 5 -9.188 6.412 3.197 29 HG2 GLN 5 HG2 GLN 5 -9.998 4.224 2.721 30 HG3 GLN 5 HG3 GLN 5 -8.390 3.527 2.913 31 HE21 GLN 5 HE21 GLN 5 -9.583 5.993 5.058 32 HE22 GLN 5 HE22 GLN 5 -9.774 4.970 6.440 33 H ALA 6 H ALA 6 -8.740 3.887 0.269 34 HA ALA 6 HA ALA 6 -6.639 2.046 0.692 35 HB1 ALA 6 HB1 ALA 6 -8.650 2.077 -1.550 36 HB2 ALA 6 HB2 ALA 6 -8.902 1.345 0.034 37 HB3 ALA 6 HB3 ALA 6 -7.663 0.709 -1.049 38 H LYS 7 H LYS 7 -7.341 4.351 -1.880 39 HA LYS 7 HA LYS 7 -5.260 3.610 -3.626 40 HB2 LYS 7 HB2 LYS 7 -7.181 5.135 -4.184 41 HB3 LYS 7 HB3 LYS 7 -6.407 6.383 -3.224 42 HG2 LYS 7 HG2 LYS 7 -5.962 6.769 -5.551 43 HG3 LYS 7 HG3 LYS 7 -4.449 6.306 -4.727 44 HD2 LYS 7 HD2 LYS 7 -4.694 4.009 -5.558 45 HD3 LYS 7 HD3 LYS 7 -6.218 4.437 -6.345 46 HE2 LYS 7 HE2 LYS 7 -4.354 4.398 -7.955 47 HE3 LYS 7 HE3 LYS 7 -5.034 6.017 -7.792 48 HZ1 LYS 7 HZ1 LYS 7 -2.602 5.083 -6.369 49 HZ2 LYS 7 HZ2 LYS 7 -3.206 6.663 -6.416 50 HZ3 LYS 7 HZ3 LYS 7 -2.579 5.954 -7.816 51 H TYR 8 H TYR 8 -5.395 5.696 -0.823 52 HA TYR 8 HA TYR 8 -2.801 6.808 -1.022 53 HB2 TYR 8 HB2 TYR 8 -4.698 7.656 0.423 54 HB3 TYR 8 HB3 TYR 8 -4.386 6.301 1.508 55 HD1 TYR 8 HD1 TYR 8 -2.609 6.382 3.092 56 HD2 TYR 8 HD2 TYR 8 -2.993 9.423 0.145 57 HE1 TYR 8 HE1 TYR 8 -0.965 7.754 4.304 58 HE2 TYR 8 HE2 TYR 8 -1.348 10.803 1.341 59 HH TYR 8 HH TYR 8 0.607 9.584 3.841 60 H CYS 9 H CYS 9 -4.100 3.938 0.576 61 HA CYS 9 HA CYS 9 -1.757 3.118 1.897 62 HB2 CYS 9 HB2 CYS 9 -4.093 2.203 2.265 63 HB3 CYS 9 HB3 CYS 9 -3.896 1.274 0.773 64 H TYR 10 H TYR 10 -3.042 2.257 -1.302 65 HA TYR 10 HA TYR 10 -0.883 0.503 -1.936 66 HB2 TYR 10 HB2 TYR 10 -3.121 1.722 -3.548 67 HB3 TYR 10 HB3 TYR 10 -1.837 0.793 -4.326 68 HD1 TYR 10 HD1 TYR 10 -4.931 0.631 -2.492 69 HD2 TYR 10 HD2 TYR 10 -1.475 -1.583 -3.611 70 HE1 TYR 10 HE1 TYR 10 -6.117 -1.462 -2.004 71 HE2 TYR 10 HE2 TYR 10 -2.650 -3.674 -3.129 72 HH TYR 10 HH TYR 10 -5.978 -3.880 -2.667 73 H GLU 11 H GLU 11 -1.297 3.930 -2.235 74 HA GLU 11 HA GLU 11 0.823 4.146 -4.189 75 HB2 GLU 11 HB2 GLU 11 -1.113 5.683 -4.281 76 HB3 GLU 11 HB3 GLU 11 -0.654 6.338 -2.696 77 HG2 GLU 11 HG2 GLU 11 1.372 7.243 -3.589 78 HG3 GLU 11 HG3 GLU 11 1.099 6.440 -5.151 79 H GLN 12 H GLN 12 0.376 4.843 -0.727 80 HA GLN 12 HA GLN 12 3.015 5.981 -0.530 81 HB2 GLN 12 HB2 GLN 12 1.006 5.355 1.637 82 HB3 GLN 12 HB3 GLN 12 2.490 6.266 1.843 83 HG2 GLN 12 HG2 GLN 12 0.246 7.042 0.020 84 HG3 GLN 12 HG3 GLN 12 0.508 7.681 1.635 85 HE21 GLN 12 HE21 GLN 12 1.596 7.642 -1.635 86 HE22 GLN 12 HE22 GLN 12 2.665 9.000 -1.518 87 H CYS 13 H CYS 13 1.736 2.827 -0.338 88 HA CYS 13 HA CYS 13 3.224 1.712 1.740 89 HB2 CYS 13 HB2 CYS 13 2.802 -0.464 0.639 90 HB3 CYS 13 HB3 CYS 13 1.345 0.537 0.675 91 H ASN 14 H ASN 14 4.035 1.666 -1.756 92 HA ASN 14 HA ASN 14 6.663 0.641 -1.265 93 HB2 ASN 14 HB2 ASN 14 5.463 0.398 -3.467 94 HB3 ASN 14 HB3 ASN 14 5.732 2.116 -3.750 95 HD21 ASN 14 HD21 ASN 14 8.021 -0.117 -2.239 96 HD22 ASN 14 HD22 ASN 14 9.208 0.004 -3.492 97 H VAL 15 H VAL 15 5.298 3.834 -1.344 98 HA VAL 15 HA VAL 15 7.685 5.295 -1.724 99 HB VAL 15 HB VAL 15 5.080 6.073 -0.404 100 HG11 VAL 15 HG11 VAL 15 7.405 7.857 -1.136 101 HG12 VAL 15 HG12 VAL 15 6.892 7.451 0.500 102 HG13 VAL 15 HG13 VAL 15 5.834 8.397 -0.547 103 HG21 VAL 15 HG21 VAL 15 4.908 5.624 -2.792 104 HG22 VAL 15 HG22 VAL 15 6.255 6.714 -3.113 105 HG23 VAL 15 HG23 VAL 15 4.737 7.350 -2.484 106 H ASN 16 H ASN 16 6.016 4.122 1.185 107 HA ASN 16 HA ASN 16 7.872 5.280 3.019 108 HB2 ASN 16 HB2 ASN 16 6.069 2.856 3.356 109 HB3 ASN 16 HB3 ASN 16 6.938 3.672 4.659 110 HD21 ASN 16 HD21 ASN 16 6.447 6.323 3.566 111 HD22 ASN 16 HD22 ASN 16 4.782 6.662 3.886 112 H LYS 17 H LYS 17 7.380 1.798 2.592 113 HA LYS 17 HA LYS 17 9.661 1.173 1.217 114 HB2 LYS 17 HB2 LYS 17 11.116 0.173 2.992 115 HB3 LYS 17 HB3 LYS 17 11.057 1.937 2.999 116 HG2 LYS 17 HG2 LYS 17 10.675 1.787 5.183 117 HG3 LYS 17 HG3 LYS 17 9.051 1.234 4.767 118 HD2 LYS 17 HD2 LYS 17 9.874 -1.127 4.804 119 HD3 LYS 17 HD3 LYS 17 11.480 -0.515 5.262 120 HE2 LYS 17 HE2 LYS 17 10.576 0.401 7.318 121 HE3 LYS 17 HE3 LYS 17 8.950 -0.103 6.858 122 HZ1 LYS 17 HZ1 LYS 17 11.244 -1.913 7.383 123 HZ2 LYS 17 HZ2 LYS 17 9.697 -2.403 6.915 124 HZ3 LYS 17 HZ3 LYS 17 9.928 -1.654 8.412 125 H VAL 18 H VAL 18 7.926 -0.185 0.340 126 HA VAL 18 HA VAL 18 8.065 -2.792 1.626 127 HB VAL 18 HB VAL 18 5.814 -3.292 1.826 128 HG11 VAL 18 HG11 VAL 18 6.356 -1.590 3.487 129 HG12 VAL 18 HG12 VAL 18 4.654 -1.545 3.031 130 HG13 VAL 18 HG13 VAL 18 5.768 -0.332 2.398 131 HG21 VAL 18 HG21 VAL 18 3.982 -2.110 0.719 132 HG22 VAL 18 HG22 VAL 18 5.176 -2.740 -0.422 133 HG23 VAL 18 HG23 VAL 18 5.150 -1.017 -0.030 134 HA PRO 19 HA PRO 19 8.195 -4.059 -2.708 135 HB2 PRO 19 HB2 PRO 19 7.384 -6.691 -1.675 136 HB3 PRO 19 HB3 PRO 19 8.857 -6.240 -2.554 137 HG2 PRO 19 HG2 PRO 19 8.913 -6.877 0.058 138 HG3 PRO 19 HG3 PRO 19 9.987 -5.653 -0.643 139 HD2 PRO 19 HD2 PRO 19 7.481 -5.258 0.962 140 HD3 PRO 19 HD3 PRO 19 9.021 -4.366 1.008 141 H PHE 20 H PHE 20 6.627 -4.756 -4.305 142 HA PHE 20 HA PHE 20 4.059 -3.809 -3.928 143 HB2 PHE 20 HB2 PHE 20 5.120 -4.283 -6.149 144 HB3 PHE 20 HB3 PHE 20 4.793 -5.993 -5.891 145 HD1 PHE 20 HD1 PHE 20 3.312 -2.714 -6.539 146 HD2 PHE 20 HD2 PHE 20 2.560 -6.877 -6.071 147 HE1 PHE 20 HE1 PHE 20 1.063 -2.412 -7.486 148 HE2 PHE 20 HE2 PHE 20 0.314 -6.582 -7.025 149 HZ PHE 20 HZ PHE 20 -0.437 -4.349 -7.731 150 H ASP 21 H ASP 21 5.168 -7.180 -3.655 151 HA ASP 21 HA ASP 21 2.656 -8.340 -3.221 152 HB2 ASP 21 HB2 ASP 21 3.901 -10.218 -2.174 153 HB3 ASP 21 HB3 ASP 21 4.559 -9.739 -3.735 154 H GLN 22 H GLN 22 4.956 -6.935 -0.933 155 HA GLN 22 HA GLN 22 3.485 -7.504 1.412 156 HB2 GLN 22 HB2 GLN 22 5.836 -6.861 1.476 157 HB3 GLN 22 HB3 GLN 22 5.437 -5.277 0.819 158 HG2 GLN 22 HG2 GLN 22 5.793 -5.070 3.166 159 HG3 GLN 22 HG3 GLN 22 4.073 -4.832 2.825 160 HE21 GLN 22 HE21 GLN 22 5.562 -7.993 2.836 161 HE22 GLN 22 HE22 GLN 22 4.780 -8.559 4.272 162 H CYS 23 H CYS 23 3.446 -4.827 -0.888 163 HA CYS 23 HA CYS 23 1.750 -3.089 0.545 164 HB2 CYS 23 HB2 CYS 23 3.000 -2.440 -1.552 165 HB3 CYS 23 HB3 CYS 23 1.837 -3.394 -2.474 166 H TYR 24 H TYR 24 1.023 -5.640 -1.798 167 HA TYR 24 HA TYR 24 -1.768 -5.430 -1.674 168 HB2 TYR 24 HB2 TYR 24 -0.644 -6.768 -3.406 169 HB3 TYR 24 HB3 TYR 24 -0.062 -7.896 -2.169 170 HD1 TYR 24 HD1 TYR 24 -1.402 -9.681 -1.441 171 HD2 TYR 24 HD2 TYR 24 -3.134 -6.599 -3.800 172 HE1 TYR 24 HE1 TYR 24 -3.443 -11.021 -1.683 173 HE2 TYR 24 HE2 TYR 24 -5.180 -7.929 -4.050 174 HH TYR 24 HH TYR 24 -5.805 -10.367 -3.967 175 H GLN 25 H GLN 25 0.533 -7.116 0.398 176 HA GLN 25 HA GLN 25 -1.361 -8.747 1.732 177 HB2 GLN 25 HB2 GLN 25 1.377 -7.768 2.571 178 HB3 GLN 25 HB3 GLN 25 0.413 -8.835 3.575 179 HG2 GLN 25 HG2 GLN 25 0.440 -10.533 1.773 180 HG3 GLN 25 HG3 GLN 25 1.458 -9.471 0.803 181 HE21 GLN 25 HE21 GLN 25 1.285 -11.466 3.643 182 HE22 GLN 25 HE22 GLN 25 2.992 -11.579 3.904 183 H MET 26 H MET 26 -0.156 -5.501 2.376 184 HA MET 26 HA MET 26 -1.536 -5.379 4.905 185 HB2 MET 26 HB2 MET 26 0.561 -4.233 4.785 186 HB3 MET 26 HB3 MET 26 0.072 -3.378 3.331 187 HG2 MET 26 HG2 MET 26 -1.631 -2.162 4.650 188 HG3 MET 26 HG3 MET 26 -1.040 -2.969 6.103 189 HE1 MET 26 HE1 MET 26 1.570 -0.068 3.614 190 HE2 MET 26 HE2 MET 26 -0.026 -0.621 3.111 191 HE3 MET 26 HE3 MET 26 1.328 -1.750 3.150 192 H CYS 27 H CYS 27 -1.949 -3.919 1.679 193 HA CYS 27 HA CYS 27 -4.171 -2.349 2.678 194 HB2 CYS 27 HB2 CYS 27 -3.138 -2.524 -0.166 195 HB3 CYS 27 HB3 CYS 27 -4.204 -1.282 0.515 196 H SER 28 H SER 28 -3.881 -5.450 1.169 197 HA SER 28 HA SER 28 -6.277 -5.415 -0.285 198 HB2 SER 28 HB2 SER 28 -6.215 -7.922 -0.159 199 HB3 SER 28 HB3 SER 28 -4.750 -7.163 -0.790 200 HG SER 28 HG SER 28 -3.679 -7.675 1.013 201 HA PRO 29 HA PRO 29 -8.525 -7.230 3.682 202 HB2 PRO 29 HB2 PRO 29 -6.908 -5.834 5.748 203 HB3 PRO 29 HB3 PRO 29 -7.676 -7.434 5.810 204 HG2 PRO 29 HG2 PRO 29 -5.046 -7.258 5.508 205 HG3 PRO 29 HG3 PRO 29 -5.978 -8.443 4.557 206 HD2 PRO 29 HD2 PRO 29 -4.888 -5.765 3.705 207 HD3 PRO 29 HD3 PRO 29 -4.883 -7.319 2.831 208 H LEU 30 H LEU 30 -7.173 -4.159 3.090 209 HA LEU 30 HA LEU 30 -9.228 -2.648 4.475 210 HB2 LEU 30 HB2 LEU 30 -6.748 -1.981 4.183 211 HB3 LEU 30 HB3 LEU 30 -7.179 -1.612 2.505 212 HG LEU 30 HG LEU 30 -8.267 -0.240 4.988 213 HD11 LEU 30 HD11 LEU 30 -7.053 1.710 4.036 214 HD12 LEU 30 HD12 LEU 30 -6.353 0.633 2.827 215 HD13 LEU 30 HD13 LEU 30 -5.993 0.393 4.537 216 HD21 LEU 30 HD21 LEU 30 -8.796 0.404 2.080 217 HD22 LEU 30 HD22 LEU 30 -9.398 1.291 3.482 218 HD23 LEU 30 HD23 LEU 30 -9.951 -0.358 3.175 219 H GLU 31 H GLU 31 -8.058 -2.983 1.157 220 HA GLU 31 HA GLU 31 -10.240 -1.560 0.013 221 HB2 GLU 31 HB2 GLU 31 -7.859 -1.811 -0.900 222 HB3 GLU 31 HB3 GLU 31 -8.356 -3.417 -1.444 223 HG2 GLU 31 HG2 GLU 31 -9.754 -0.880 -2.300 224 HG3 GLU 31 HG3 GLU 31 -8.401 -1.595 -3.183 225 H ARG 32 H ARG 32 -9.481 -4.999 0.352 226 HA ARG 32 HA ARG 32 -12.160 -5.609 -0.661 227 HB2 ARG 32 HB2 ARG 32 -10.407 -5.788 -2.502 228 HB3 ARG 32 HB3 ARG 32 -9.673 -7.089 -1.559 229 HG2 ARG 32 HG2 ARG 32 -11.020 -8.073 -3.291 230 HG3 ARG 32 HG3 ARG 32 -11.797 -8.369 -1.735 231 HD2 ARG 32 HD2 ARG 32 -13.196 -7.581 -3.797 232 HD3 ARG 32 HD3 ARG 32 -13.560 -6.963 -2.192 233 HE ARG 32 HE ARG 32 -11.744 -5.190 -3.303 234 HH11 ARG 32 HH11 ARG 32 -14.941 -6.382 -4.096 235 HH12 ARG 32 HH12 ARG 32 -15.438 -4.909 -4.864 236 HH21 ARG 32 HH21 ARG 32 -12.391 -3.245 -4.297 237 HH22 ARG 32 HH22 ARG 32 -13.984 -3.128 -4.990 238 H SER 33 H SER 33 -12.895 -6.261 1.325 239 HA SER 33 HA SER 33 -11.929 -8.880 2.168 240 HB2 SER 33 HB2 SER 33 -10.793 -7.027 3.569 241 HB3 SER 33 HB3 SER 33 -12.389 -6.747 4.262 242 HG SER 33 HG SER 33 -12.399 -8.864 5.018 Start of MODEL 15 1 HA ALA 1 HA ALA 1 -15.710 0.085 0.980 2 HB1 ALA 1 HB1 ALA 1 -17.982 0.170 1.905 3 HB2 ALA 1 HB2 ALA 1 -17.487 1.723 1.235 4 HB3 ALA 1 HB3 ALA 1 -17.487 1.476 2.981 5 H SER 2 H SER 2 -13.624 0.887 0.829 6 HA SER 2 HA SER 2 -13.387 3.699 1.416 7 HB2 SER 2 HB2 SER 2 -12.651 2.344 3.555 8 HB3 SER 2 HB3 SER 2 -11.194 2.013 2.615 9 HG SER 2 HG SER 2 -11.826 4.209 3.978 10 HA PRO 3 HA PRO 3 -11.138 1.564 -2.264 11 HB2 PRO 3 HB2 PRO 3 -12.677 3.606 -3.775 12 HB3 PRO 3 HB3 PRO 3 -12.385 1.895 -4.154 13 HG2 PRO 3 HG2 PRO 3 -14.765 2.726 -3.286 14 HG3 PRO 3 HG3 PRO 3 -14.090 1.161 -2.790 15 HD2 PRO 3 HD2 PRO 3 -14.268 3.716 -1.209 16 HD3 PRO 3 HD3 PRO 3 -14.432 2.023 -0.662 17 H GLN 4 H GLN 4 -11.954 5.041 -2.087 18 HA GLN 4 HA GLN 4 -9.661 5.855 -3.523 19 HB2 GLN 4 HB2 GLN 4 -11.540 7.380 -1.727 20 HB3 GLN 4 HB3 GLN 4 -10.210 8.143 -2.584 21 HG2 GLN 4 HG2 GLN 4 -12.209 6.526 -4.112 22 HG3 GLN 4 HG3 GLN 4 -12.606 8.168 -3.616 23 HE21 GLN 4 HE21 GLN 4 -9.334 7.240 -4.430 24 HE22 GLN 4 HE22 GLN 4 -9.260 8.109 -5.921 25 H GLN 5 H GLN 5 -10.353 5.773 -0.057 26 HA GLN 5 HA GLN 5 -7.876 6.878 0.736 27 HB2 GLN 5 HB2 GLN 5 -9.814 5.120 2.251 28 HB3 GLN 5 HB3 GLN 5 -8.395 5.861 2.975 29 HG2 GLN 5 HG2 GLN 5 -10.189 7.269 3.545 30 HG3 GLN 5 HG3 GLN 5 -9.345 8.093 2.238 31 HE21 GLN 5 HE21 GLN 5 -11.513 5.351 1.831 32 HE22 GLN 5 HE22 GLN 5 -12.748 6.229 0.979 33 H ALA 6 H ALA 6 -8.868 3.638 -0.080 34 HA ALA 6 HA ALA 6 -6.614 2.278 0.937 35 HB1 ALA 6 HB1 ALA 6 -7.209 0.467 -0.547 36 HB2 ALA 6 HB2 ALA 6 -8.263 1.534 -1.471 37 HB3 ALA 6 HB3 ALA 6 -8.666 1.126 0.199 38 H LYS 7 H LYS 7 -7.190 4.056 -2.024 39 HA LYS 7 HA LYS 7 -4.900 3.268 -3.449 40 HB2 LYS 7 HB2 LYS 7 -6.742 4.535 -4.479 41 HB3 LYS 7 HB3 LYS 7 -6.341 5.930 -3.489 42 HG2 LYS 7 HG2 LYS 7 -5.503 6.239 -5.723 43 HG3 LYS 7 HG3 LYS 7 -4.142 6.068 -4.585 44 HD2 LYS 7 HD2 LYS 7 -3.940 3.683 -5.234 45 HD3 LYS 7 HD3 LYS 7 -5.249 3.897 -6.401 46 HE2 LYS 7 HE2 LYS 7 -3.059 4.015 -7.502 47 HE3 LYS 7 HE3 LYS 7 -3.905 5.560 -7.601 48 HZ1 LYS 7 HZ1 LYS 7 -2.563 6.388 -5.786 49 HZ2 LYS 7 HZ2 LYS 7 -1.566 5.820 -7.027 50 HZ3 LYS 7 HZ3 LYS 7 -1.788 4.892 -5.635 51 H TYR 8 H TYR 8 -5.386 5.568 -0.868 52 HA TYR 8 HA TYR 8 -2.869 6.859 -1.034 53 HB2 TYR 8 HB2 TYR 8 -4.786 7.817 0.196 54 HB3 TYR 8 HB3 TYR 8 -4.691 6.500 1.366 55 HD1 TYR 8 HD1 TYR 8 -3.120 6.549 3.144 56 HD2 TYR 8 HD2 TYR 8 -2.950 9.489 0.077 57 HE1 TYR 8 HE1 TYR 8 -1.536 7.851 4.494 58 HE2 TYR 8 HE2 TYR 8 -1.362 10.803 1.419 59 HH TYR 8 HH TYR 8 0.259 9.567 4.081 60 H CYS 9 H CYS 9 -4.019 3.990 0.679 61 HA CYS 9 HA CYS 9 -1.626 3.432 2.069 62 HB2 CYS 9 HB2 CYS 9 -3.589 2.173 2.679 63 HB3 CYS 9 HB3 CYS 9 -3.783 1.559 1.030 64 H TYR 10 H TYR 10 -2.791 2.362 -1.094 65 HA TYR 10 HA TYR 10 -0.548 0.764 -1.704 66 HB2 TYR 10 HB2 TYR 10 -2.787 1.932 -3.344 67 HB3 TYR 10 HB3 TYR 10 -1.435 1.108 -4.128 68 HD1 TYR 10 HD1 TYR 10 -1.079 -1.268 -3.811 69 HD2 TYR 10 HD2 TYR 10 -4.432 0.674 -2.051 70 HE1 TYR 10 HE1 TYR 10 -2.147 -3.440 -3.455 71 HE2 TYR 10 HE2 TYR 10 -5.503 -1.497 -1.690 72 HH TYR 10 HH TYR 10 -5.395 -3.793 -2.721 73 H GLU 11 H GLU 11 -1.123 4.200 -2.082 74 HA GLU 11 HA GLU 11 1.118 4.528 -3.836 75 HB2 GLU 11 HB2 GLU 11 0.704 6.868 -3.750 76 HB3 GLU 11 HB3 GLU 11 -0.881 6.075 -3.768 77 HG2 GLU 11 HG2 GLU 11 -1.095 6.433 -1.383 78 HG3 GLU 11 HG3 GLU 11 0.514 7.183 -1.344 79 H GLN 12 H GLN 12 0.542 5.174 -0.367 80 HA GLN 12 HA GLN 12 3.171 6.186 0.027 81 HB2 GLN 12 HB2 GLN 12 1.015 5.357 1.964 82 HB3 GLN 12 HB3 GLN 12 2.551 6.033 2.473 83 HG2 GLN 12 HG2 GLN 12 0.918 7.491 0.470 84 HG3 GLN 12 HG3 GLN 12 0.451 7.537 2.161 85 HE21 GLN 12 HE21 GLN 12 3.790 7.272 1.241 86 HE22 GLN 12 HE22 GLN 12 4.244 8.878 1.703 87 H CYS 13 H CYS 13 1.808 2.987 0.152 88 HA CYS 13 HA CYS 13 3.621 1.794 1.935 89 HB2 CYS 13 HB2 CYS 13 2.959 -0.335 0.940 90 HB3 CYS 13 HB3 CYS 13 1.531 0.698 1.078 91 H ASN 14 H ASN 14 3.778 2.118 -1.599 92 HA ASN 14 HA ASN 14 6.417 1.006 -1.759 93 HB2 ASN 14 HB2 ASN 14 4.799 0.957 -3.663 94 HB3 ASN 14 HB3 ASN 14 4.969 2.701 -3.822 95 HD21 ASN 14 HD21 ASN 14 7.624 0.495 -3.078 96 HD22 ASN 14 HD22 ASN 14 8.454 0.732 -4.576 97 H VAL 15 H VAL 15 5.132 4.212 -1.280 98 HA VAL 15 HA VAL 15 7.478 5.646 -1.968 99 HB VAL 15 HB VAL 15 5.151 6.421 -0.200 100 HG11 VAL 15 HG11 VAL 15 7.410 8.158 -1.209 101 HG12 VAL 15 HG12 VAL 15 7.136 7.686 0.467 102 HG13 VAL 15 HG13 VAL 15 5.976 8.729 -0.356 103 HG21 VAL 15 HG21 VAL 15 5.889 7.228 -3.015 104 HG22 VAL 15 HG22 VAL 15 4.501 7.822 -2.104 105 HG23 VAL 15 HG23 VAL 15 4.593 6.123 -2.565 106 H ASN 16 H ASN 16 6.248 4.295 1.084 107 HA ASN 16 HA ASN 16 8.370 5.394 2.657 108 HB2 ASN 16 HB2 ASN 16 6.631 2.969 3.236 109 HB3 ASN 16 HB3 ASN 16 7.647 3.818 4.403 110 HD21 ASN 16 HD21 ASN 16 6.928 6.452 3.297 111 HD22 ASN 16 HD22 ASN 16 5.315 6.754 3.859 112 H LYS 17 H LYS 17 7.776 1.921 2.314 113 HA LYS 17 HA LYS 17 9.725 1.243 0.514 114 HB2 LYS 17 HB2 LYS 17 10.850 1.666 3.185 115 HB3 LYS 17 HB3 LYS 17 11.176 0.056 2.530 116 HG2 LYS 17 HG2 LYS 17 12.119 1.101 0.503 117 HG3 LYS 17 HG3 LYS 17 11.845 2.697 1.216 118 HD2 LYS 17 HD2 LYS 17 13.298 1.942 3.164 119 HD3 LYS 17 HD3 LYS 17 13.684 0.505 2.195 120 HE2 LYS 17 HE2 LYS 17 14.217 3.375 1.412 121 HE3 LYS 17 HE3 LYS 17 15.416 2.200 1.943 122 HZ1 LYS 17 HZ1 LYS 17 13.766 2.008 -0.517 123 HZ2 LYS 17 HZ2 LYS 17 14.896 0.860 -0.009 124 HZ3 LYS 17 HZ3 LYS 17 15.406 2.408 -0.452 125 H VAL 18 H VAL 18 7.810 -0.143 0.090 126 HA VAL 18 HA VAL 18 8.237 -2.673 1.497 127 HB VAL 18 HB VAL 18 6.033 -3.157 2.024 128 HG11 VAL 18 HG11 VAL 18 5.036 -1.301 3.232 129 HG12 VAL 18 HG12 VAL 18 6.073 -0.161 2.372 130 HG13 VAL 18 HG13 VAL 18 6.786 -1.344 3.470 131 HG21 VAL 18 HG21 VAL 18 4.061 -2.064 1.080 132 HG22 VAL 18 HG22 VAL 18 5.101 -2.769 -0.162 133 HG23 VAL 18 HG23 VAL 18 5.109 -1.023 0.108 134 HA PRO 19 HA PRO 19 8.050 -4.264 -2.704 135 HB2 PRO 19 HB2 PRO 19 7.094 -6.749 -1.416 136 HB3 PRO 19 HB3 PRO 19 8.513 -6.496 -2.449 137 HG2 PRO 19 HG2 PRO 19 8.771 -6.919 0.185 138 HG3 PRO 19 HG3 PRO 19 9.844 -5.819 -0.700 139 HD2 PRO 19 HD2 PRO 19 7.533 -5.157 1.093 140 HD3 PRO 19 HD3 PRO 19 9.104 -4.340 0.904 141 H PHE 20 H PHE 20 6.382 -4.902 -4.211 142 HA PHE 20 HA PHE 20 3.877 -3.794 -3.687 143 HB2 PHE 20 HB2 PHE 20 4.848 -4.212 -5.976 144 HB3 PHE 20 HB3 PHE 20 4.410 -5.907 -5.786 145 HD1 PHE 20 HD1 PHE 20 3.158 -2.514 -6.265 146 HD2 PHE 20 HD2 PHE 20 2.102 -6.616 -5.855 147 HE1 PHE 20 HE1 PHE 20 0.894 -2.009 -7.086 148 HE2 PHE 20 HE2 PHE 20 -0.163 -6.118 -6.677 149 HZ PHE 20 HZ PHE 20 -0.769 -3.812 -7.294 150 H ASP 21 H ASP 21 4.906 -7.191 -3.577 151 HA ASP 21 HA ASP 21 2.417 -8.341 -3.066 152 HB2 ASP 21 HB2 ASP 21 3.703 -10.201 -1.988 153 HB3 ASP 21 HB3 ASP 21 4.263 -9.777 -3.602 154 H GLN 22 H GLN 22 4.776 -6.949 -0.829 155 HA GLN 22 HA GLN 22 3.381 -7.533 1.547 156 HB2 GLN 22 HB2 GLN 22 5.729 -6.878 1.561 157 HB3 GLN 22 HB3 GLN 22 5.308 -5.284 0.936 158 HG2 GLN 22 HG2 GLN 22 5.686 -5.084 3.269 159 HG3 GLN 22 HG3 GLN 22 3.947 -4.916 2.981 160 HE21 GLN 22 HE21 GLN 22 6.454 -6.894 4.318 161 HE22 GLN 22 HE22 GLN 22 5.417 -7.954 5.214 162 H CYS 23 H CYS 23 3.331 -4.755 -0.644 163 HA CYS 23 HA CYS 23 1.596 -3.134 0.868 164 HB2 CYS 23 HB2 CYS 23 2.895 -2.371 -1.178 165 HB3 CYS 23 HB3 CYS 23 1.697 -3.217 -2.161 166 H TYR 24 H TYR 24 0.962 -5.559 -1.608 167 HA TYR 24 HA TYR 24 -1.837 -5.366 -1.614 168 HB2 TYR 24 HB2 TYR 24 -0.562 -6.585 -3.347 169 HB3 TYR 24 HB3 TYR 24 -0.086 -7.792 -2.147 170 HD1 TYR 24 HD1 TYR 24 -2.970 -6.401 -3.996 171 HD2 TYR 24 HD2 TYR 24 -1.502 -9.596 -1.608 172 HE1 TYR 24 HE1 TYR 24 -4.958 -7.725 -4.553 173 HE2 TYR 24 HE2 TYR 24 -3.486 -10.926 -2.153 174 HH TYR 24 HH TYR 24 -5.569 -10.172 -4.656 175 H GLN 25 H GLN 25 0.373 -7.301 0.389 176 HA GLN 25 HA GLN 25 -1.683 -8.907 1.512 177 HB2 GLN 25 HB2 GLN 25 1.167 -8.359 2.300 178 HB3 GLN 25 HB3 GLN 25 0.108 -9.279 3.361 179 HG2 GLN 25 HG2 GLN 25 0.768 -10.011 0.498 180 HG3 GLN 25 HG3 GLN 25 1.454 -10.753 1.942 181 HE21 GLN 25 HE21 GLN 25 0.191 -12.108 3.196 182 HE22 GLN 25 HE22 GLN 25 -1.292 -12.786 2.612 183 H MET 26 H MET 26 -0.377 -5.788 2.361 184 HA MET 26 HA MET 26 -1.509 -5.813 4.992 185 HB2 MET 26 HB2 MET 26 0.478 -4.525 4.690 186 HB3 MET 26 HB3 MET 26 -0.212 -3.672 3.320 187 HG2 MET 26 HG2 MET 26 -1.789 -2.537 4.808 188 HG3 MET 26 HG3 MET 26 -1.108 -3.401 6.187 189 HE1 MET 26 HE1 MET 26 1.152 -2.077 3.210 190 HE2 MET 26 HE2 MET 26 1.383 -0.401 3.695 191 HE3 MET 26 HE3 MET 26 -0.217 -0.967 3.217 192 H CYS 27 H CYS 27 -2.365 -4.173 1.924 193 HA CYS 27 HA CYS 27 -4.780 -3.250 3.319 194 HB2 CYS 27 HB2 CYS 27 -3.233 -2.003 1.054 195 HB3 CYS 27 HB3 CYS 27 -4.900 -1.519 1.435 196 H SER 28 H SER 28 -4.096 -5.711 1.229 197 HA SER 28 HA SER 28 -6.278 -5.566 -0.502 198 HB2 SER 28 HB2 SER 28 -6.262 -8.136 -0.382 199 HB3 SER 28 HB3 SER 28 -4.807 -7.327 -0.980 200 HG SER 28 HG SER 28 -3.778 -7.760 0.890 201 HA PRO 29 HA PRO 29 -9.071 -7.424 3.051 202 HB2 PRO 29 HB2 PRO 29 -7.604 -6.407 5.422 203 HB3 PRO 29 HB3 PRO 29 -8.468 -7.944 5.203 204 HG2 PRO 29 HG2 PRO 29 -5.811 -7.917 5.223 205 HG3 PRO 29 HG3 PRO 29 -6.692 -8.935 4.054 206 HD2 PRO 29 HD2 PRO 29 -5.376 -6.254 3.616 207 HD3 PRO 29 HD3 PRO 29 -5.327 -7.716 2.597 208 H LEU 30 H LEU 30 -7.402 -4.442 2.890 209 HA LEU 30 HA LEU 30 -9.304 -2.863 4.363 210 HB2 LEU 30 HB2 LEU 30 -6.803 -2.347 3.942 211 HB3 LEU 30 HB3 LEU 30 -7.316 -1.851 2.322 212 HG LEU 30 HG LEU 30 -8.178 -0.570 4.939 213 HD11 LEU 30 HD11 LEU 30 -6.848 1.339 4.114 214 HD12 LEU 30 HD12 LEU 30 -6.305 0.351 2.756 215 HD13 LEU 30 HD13 LEU 30 -5.863 -0.096 4.406 216 HD21 LEU 30 HD21 LEU 30 -9.254 1.126 3.596 217 HD22 LEU 30 HD22 LEU 30 -9.916 -0.453 3.168 218 HD23 LEU 30 HD23 LEU 30 -8.742 0.327 2.109 219 H GLU 31 H GLU 31 -8.419 -3.210 0.952 220 HA GLU 31 HA GLU 31 -10.639 -1.585 0.097 221 HB2 GLU 31 HB2 GLU 31 -8.288 -1.800 -0.998 222 HB3 GLU 31 HB3 GLU 31 -8.925 -3.286 -1.710 223 HG2 GLU 31 HG2 GLU 31 -10.178 -0.559 -2.083 224 HG3 GLU 31 HG3 GLU 31 -9.022 -1.293 -3.203 225 H ARG 32 H ARG 32 -9.683 -4.829 -0.954 226 HA ARG 32 HA ARG 32 -12.222 -5.990 -0.310 227 HB2 ARG 32 HB2 ARG 32 -11.493 -5.355 -3.171 228 HB3 ARG 32 HB3 ARG 32 -12.473 -6.774 -2.804 229 HG2 ARG 32 HG2 ARG 32 -13.276 -4.008 -1.885 230 HG3 ARG 32 HG3 ARG 32 -13.683 -4.604 -3.495 231 HD2 ARG 32 HD2 ARG 32 -14.601 -5.664 -0.822 232 HD3 ARG 32 HD3 ARG 32 -15.568 -5.046 -2.156 233 HE ARG 32 HE ARG 32 -14.413 -7.133 -3.318 234 HH11 ARG 32 HH11 ARG 32 -16.010 -6.857 -0.218 235 HH12 ARG 32 HH12 ARG 32 -16.490 -8.525 -0.174 236 HH21 ARG 32 HH21 ARG 32 -15.023 -9.323 -3.268 237 HH22 ARG 32 HH22 ARG 32 -15.920 -9.934 -1.913 238 H SER 33 H SER 33 -11.858 -8.052 0.206 239 HA SER 33 HA SER 33 -9.606 -9.449 -1.057 240 HB2 SER 33 HB2 SER 33 -8.919 -8.417 1.184 241 HB3 SER 33 HB3 SER 33 -10.046 -9.542 1.940 242 HG SER 33 HG SER 33 -7.878 -10.285 0.259 Start of MODEL 16 1 HA ALA 1 HA ALA 1 -17.355 2.887 -1.243 2 HB1 ALA 1 HB1 ALA 1 -19.017 4.633 -0.819 3 HB2 ALA 1 HB2 ALA 1 -18.804 4.410 0.917 4 HB3 ALA 1 HB3 ALA 1 -19.470 3.106 -0.064 5 H SER 2 H SER 2 -14.851 3.224 -0.569 6 HA SER 2 HA SER 2 -14.312 5.992 -1.114 7 HB2 SER 2 HB2 SER 2 -14.679 5.969 1.418 8 HB3 SER 2 HB3 SER 2 -13.251 4.939 1.527 9 HG SER 2 HG SER 2 -13.443 7.639 1.077 10 HA PRO 3 HA PRO 3 -11.363 2.632 -2.596 11 HB2 PRO 3 HB2 PRO 3 -11.487 4.324 -5.034 12 HB3 PRO 3 HB3 PRO 3 -11.586 2.557 -4.872 13 HG2 PRO 3 HG2 PRO 3 -13.756 4.001 -5.428 14 HG3 PRO 3 HG3 PRO 3 -13.833 2.594 -4.346 15 HD2 PRO 3 HD2 PRO 3 -13.837 5.522 -3.627 16 HD3 PRO 3 HD3 PRO 3 -14.750 4.164 -2.897 17 H GLN 4 H GLN 4 -11.317 6.071 -2.395 18 HA GLN 4 HA GLN 4 -8.659 6.548 -3.183 19 HB2 GLN 4 HB2 GLN 4 -8.843 8.698 -2.087 20 HB3 GLN 4 HB3 GLN 4 -10.313 8.350 -2.981 21 HG2 GLN 4 HG2 GLN 4 -11.577 8.067 -1.051 22 HG3 GLN 4 HG3 GLN 4 -10.159 7.721 -0.060 23 HE21 GLN 4 HE21 GLN 4 -10.249 10.373 -2.314 24 HE22 GLN 4 HE22 GLN 4 -10.295 11.633 -1.126 25 H GLN 5 H GLN 5 -10.026 5.411 -0.190 26 HA GLN 5 HA GLN 5 -7.766 5.963 1.435 27 HB2 GLN 5 HB2 GLN 5 -8.783 4.637 3.131 28 HB3 GLN 5 HB3 GLN 5 -10.086 5.468 2.300 29 HG2 GLN 5 HG2 GLN 5 -10.586 3.426 1.039 30 HG3 GLN 5 HG3 GLN 5 -9.275 2.599 1.872 31 HE21 GLN 5 HE21 GLN 5 -11.361 4.894 3.477 32 HE22 GLN 5 HE22 GLN 5 -12.180 3.737 4.470 33 H ALA 6 H ALA 6 -8.768 3.197 -0.452 34 HA ALA 6 HA ALA 6 -6.584 1.531 0.268 35 HB1 ALA 6 HB1 ALA 6 -7.256 0.135 -1.600 36 HB2 ALA 6 HB2 ALA 6 -8.286 1.424 -2.222 37 HB3 ALA 6 HB3 ALA 6 -8.676 0.650 -0.686 38 H LYS 7 H LYS 7 -7.185 3.833 -2.319 39 HA LYS 7 HA LYS 7 -4.842 3.330 -3.805 40 HB2 LYS 7 HB2 LYS 7 -6.754 4.560 -4.735 41 HB3 LYS 7 HB3 LYS 7 -6.500 5.855 -3.574 42 HG2 LYS 7 HG2 LYS 7 -4.357 6.397 -4.604 43 HG3 LYS 7 HG3 LYS 7 -4.567 5.056 -5.762 44 HD2 LYS 7 HD2 LYS 7 -6.574 6.152 -6.674 45 HD3 LYS 7 HD3 LYS 7 -6.407 7.464 -5.501 46 HE2 LYS 7 HE2 LYS 7 -4.436 6.759 -7.679 47 HE3 LYS 7 HE3 LYS 7 -5.529 8.143 -7.679 48 HZ1 LYS 7 HZ1 LYS 7 -4.383 8.914 -5.643 49 HZ2 LYS 7 HZ2 LYS 7 -3.377 8.860 -6.999 50 HZ3 LYS 7 HZ3 LYS 7 -3.266 7.656 -5.821 51 H TYR 8 H TYR 8 -5.539 5.464 -1.085 52 HA TYR 8 HA TYR 8 -3.084 6.827 -1.003 53 HB2 TYR 8 HB2 TYR 8 -5.088 7.489 0.316 54 HB3 TYR 8 HB3 TYR 8 -4.863 6.059 1.327 55 HD1 TYR 8 HD1 TYR 8 -3.322 9.267 0.332 56 HD2 TYR 8 HD2 TYR 8 -3.343 6.066 3.129 57 HE1 TYR 8 HE1 TYR 8 -1.813 10.544 1.793 58 HE2 TYR 8 HE2 TYR 8 -1.835 7.330 4.599 59 HH TYR 8 HH TYR 8 -1.159 10.648 4.122 60 H CYS 9 H CYS 9 -4.133 3.764 0.368 61 HA CYS 9 HA CYS 9 -1.799 3.196 1.849 62 HB2 CYS 9 HB2 CYS 9 -3.954 2.020 2.184 63 HB3 CYS 9 HB3 CYS 9 -3.772 1.245 0.605 64 H TYR 10 H TYR 10 -2.808 2.165 -1.412 65 HA TYR 10 HA TYR 10 -0.445 0.744 -2.013 66 HB2 TYR 10 HB2 TYR 10 -2.618 1.949 -3.729 67 HB3 TYR 10 HB3 TYR 10 -1.199 1.183 -4.449 68 HD1 TYR 10 HD1 TYR 10 -0.748 -1.228 -3.965 69 HD2 TYR 10 HD2 TYR 10 -4.425 0.635 -2.905 70 HE1 TYR 10 HE1 TYR 10 -1.812 -3.427 -3.800 71 HE2 TYR 10 HE2 TYR 10 -5.493 -1.565 -2.741 72 HH TYR 10 HH TYR 10 -3.732 -4.470 -2.695 73 H GLU 11 H GLU 11 -1.200 4.126 -2.103 74 HA GLU 11 HA GLU 11 0.981 4.897 -3.763 75 HB2 GLU 11 HB2 GLU 11 -1.067 6.311 -3.286 76 HB3 GLU 11 HB3 GLU 11 -0.390 6.583 -1.664 77 HG2 GLU 11 HG2 GLU 11 0.091 8.450 -3.142 78 HG3 GLU 11 HG3 GLU 11 1.581 7.616 -2.639 79 H GLN 12 H GLN 12 0.455 5.212 -0.249 80 HA GLN 12 HA GLN 12 3.119 6.134 0.158 81 HB2 GLN 12 HB2 GLN 12 0.998 5.312 2.145 82 HB3 GLN 12 HB3 GLN 12 2.526 6.061 2.565 83 HG2 GLN 12 HG2 GLN 12 0.514 7.308 0.736 84 HG3 GLN 12 HG3 GLN 12 0.589 7.603 2.466 85 HE21 GLN 12 HE21 GLN 12 2.109 8.123 -0.594 86 HE22 GLN 12 HE22 GLN 12 3.213 9.357 -0.072 87 H CYS 13 H CYS 13 1.771 2.970 0.028 88 HA CYS 13 HA CYS 13 3.295 1.683 1.998 89 HB2 CYS 13 HB2 CYS 13 2.756 -0.409 0.833 90 HB3 CYS 13 HB3 CYS 13 1.334 0.641 0.881 91 H ASN 14 H ASN 14 3.952 1.629 -1.531 92 HA ASN 14 HA ASN 14 6.596 0.657 -1.104 93 HB2 ASN 14 HB2 ASN 14 6.982 0.914 -3.465 94 HB3 ASN 14 HB3 ASN 14 5.367 0.263 -3.236 95 HD21 ASN 14 HD21 ASN 14 4.056 2.754 -2.621 96 HD22 ASN 14 HD22 ASN 14 4.056 3.694 -4.069 97 H VAL 15 H VAL 15 5.237 3.848 -1.290 98 HA VAL 15 HA VAL 15 7.546 5.341 -1.766 99 HB VAL 15 HB VAL 15 5.070 5.996 -0.170 100 HG11 VAL 15 HG11 VAL 15 7.356 7.847 -0.856 101 HG12 VAL 15 HG12 VAL 15 6.920 7.293 0.760 102 HG13 VAL 15 HG13 VAL 15 5.821 8.333 -0.142 103 HG21 VAL 15 HG21 VAL 15 6.071 6.953 -2.858 104 HG22 VAL 15 HG22 VAL 15 4.571 7.453 -2.080 105 HG23 VAL 15 HG23 VAL 15 4.782 5.780 -2.594 106 H ASN 16 H ASN 16 6.205 4.083 1.287 107 HA ASN 16 HA ASN 16 8.307 5.174 2.883 108 HB2 ASN 16 HB2 ASN 16 6.446 2.838 3.450 109 HB3 ASN 16 HB3 ASN 16 7.509 3.606 4.635 110 HD21 ASN 16 HD21 ASN 16 7.009 6.273 3.486 111 HD22 ASN 16 HD22 ASN 16 5.427 6.710 4.034 112 H LYS 17 H LYS 17 7.655 1.702 2.526 113 HA LYS 17 HA LYS 17 9.759 1.055 0.872 114 HB2 LYS 17 HB2 LYS 17 11.364 -0.012 2.445 115 HB3 LYS 17 HB3 LYS 17 11.325 1.753 2.552 116 HG2 LYS 17 HG2 LYS 17 9.950 1.603 4.572 117 HG3 LYS 17 HG3 LYS 17 9.975 -0.162 4.458 118 HD2 LYS 17 HD2 LYS 17 12.392 -0.185 4.679 119 HD3 LYS 17 HD3 LYS 17 12.442 1.589 4.735 120 HE2 LYS 17 HE2 LYS 17 12.624 0.758 6.981 121 HE3 LYS 17 HE3 LYS 17 11.021 1.465 6.797 122 HZ1 LYS 17 HZ1 LYS 17 11.642 -1.433 6.643 123 HZ2 LYS 17 HZ2 LYS 17 10.104 -0.741 6.514 124 HZ3 LYS 17 HZ3 LYS 17 10.951 -0.648 7.972 125 H VAL 18 H VAL 18 7.882 -0.247 0.186 126 HA VAL 18 HA VAL 18 8.101 -2.865 1.442 127 HB VAL 18 HB VAL 18 5.856 -3.313 1.810 128 HG11 VAL 18 HG11 VAL 18 6.588 -1.656 3.441 129 HG12 VAL 18 HG12 VAL 18 4.858 -1.528 3.117 130 HG13 VAL 18 HG13 VAL 18 5.977 -0.359 2.410 131 HG21 VAL 18 HG21 VAL 18 5.098 -0.985 0.059 132 HG22 VAL 18 HG22 VAL 18 3.978 -2.094 0.855 133 HG23 VAL 18 HG23 VAL 18 5.078 -2.691 -0.392 134 HA PRO 19 HA PRO 19 8.035 -4.130 -2.876 135 HB2 PRO 19 HB2 PRO 19 7.217 -6.740 -1.763 136 HB3 PRO 19 HB3 PRO 19 8.635 -6.336 -2.748 137 HG2 PRO 19 HG2 PRO 19 8.875 -6.924 -0.143 138 HG3 PRO 19 HG3 PRO 19 9.899 -5.707 -0.930 139 HD2 PRO 19 HD2 PRO 19 7.504 -5.298 0.836 140 HD3 PRO 19 HD3 PRO 19 9.043 -4.404 0.769 141 H PHE 20 H PHE 20 6.397 -4.834 -4.416 142 HA PHE 20 HA PHE 20 3.881 -3.782 -3.935 143 HB2 PHE 20 HB2 PHE 20 4.820 -4.284 -6.202 144 HB3 PHE 20 HB3 PHE 20 4.454 -5.984 -5.929 145 HD1 PHE 20 HD1 PHE 20 2.189 -6.802 -6.017 146 HD2 PHE 20 HD2 PHE 20 3.039 -2.659 -6.498 147 HE1 PHE 20 HE1 PHE 20 -0.094 -6.436 -6.857 148 HE2 PHE 20 HE2 PHE 20 0.758 -2.286 -7.339 149 HZ PHE 20 HZ PHE 20 -0.812 -4.174 -7.517 150 H ASP 21 H ASP 21 4.895 -7.179 -3.660 151 HA ASP 21 HA ASP 21 2.359 -8.263 -3.154 152 HB2 ASP 21 HB2 ASP 21 3.484 -10.209 -2.273 153 HB3 ASP 21 HB3 ASP 21 4.366 -9.638 -3.683 154 H GLN 22 H GLN 22 4.761 -6.881 -0.947 155 HA GLN 22 HA GLN 22 3.336 -7.407 1.433 156 HB2 GLN 22 HB2 GLN 22 5.712 -6.785 1.427 157 HB3 GLN 22 HB3 GLN 22 5.289 -5.177 0.847 158 HG2 GLN 22 HG2 GLN 22 5.677 -5.061 3.194 159 HG3 GLN 22 HG3 GLN 22 3.947 -4.841 2.895 160 HE21 GLN 22 HE21 GLN 22 5.582 -7.946 2.785 161 HE22 GLN 22 HE22 GLN 22 4.817 -8.602 4.195 162 H CYS 23 H CYS 23 3.325 -4.720 -0.853 163 HA CYS 23 HA CYS 23 1.641 -2.997 0.609 164 HB2 CYS 23 HB2 CYS 23 2.925 -2.330 -1.470 165 HB3 CYS 23 HB3 CYS 23 1.726 -3.217 -2.416 166 H TYR 24 H TYR 24 0.905 -5.501 -1.788 167 HA TYR 24 HA TYR 24 -1.882 -5.251 -1.715 168 HB2 TYR 24 HB2 TYR 24 -0.718 -6.623 -3.409 169 HB3 TYR 24 HB3 TYR 24 -0.237 -7.770 -2.148 170 HD1 TYR 24 HD1 TYR 24 -3.109 -6.415 -4.027 171 HD2 TYR 24 HD2 TYR 24 -1.743 -9.409 -1.338 172 HE1 TYR 24 HE1 TYR 24 -5.206 -7.652 -4.348 173 HE2 TYR 24 HE2 TYR 24 -3.831 -10.654 -1.649 174 HH TYR 24 HH TYR 24 -6.086 -9.887 -4.118 175 H GLN 25 H GLN 25 0.349 -6.978 0.410 176 HA GLN 25 HA GLN 25 -1.678 -8.535 1.680 177 HB2 GLN 25 HB2 GLN 25 1.192 -7.939 2.376 178 HB3 GLN 25 HB3 GLN 25 0.156 -8.851 3.466 179 HG2 GLN 25 HG2 GLN 25 0.776 -9.639 0.607 180 HG3 GLN 25 HG3 GLN 25 1.529 -10.320 2.046 181 HE21 GLN 25 HE21 GLN 25 -0.053 -11.592 -0.043 182 HE22 GLN 25 HE22 GLN 25 -1.382 -12.356 0.764 183 H MET 26 H MET 26 -0.368 -5.353 2.259 184 HA MET 26 HA MET 26 -1.736 -5.181 4.815 185 HB2 MET 26 HB2 MET 26 0.383 -4.086 4.760 186 HB3 MET 26 HB3 MET 26 -0.014 -3.261 3.261 187 HG2 MET 26 HG2 MET 26 -1.742 -1.961 4.468 188 HG3 MET 26 HG3 MET 26 -1.232 -2.735 5.969 189 HE1 MET 26 HE1 MET 26 0.020 -0.620 2.916 190 HE2 MET 26 HE2 MET 26 1.388 -1.710 3.143 191 HE3 MET 26 HE3 MET 26 1.560 0.004 3.505 192 H CYS 27 H CYS 27 -1.974 -3.698 1.586 193 HA CYS 27 HA CYS 27 -4.146 -2.007 2.395 194 HB2 CYS 27 HB2 CYS 27 -3.193 -2.591 -0.427 195 HB3 CYS 27 HB3 CYS 27 -4.168 -1.210 0.120 196 H SER 28 H SER 28 -3.960 -5.194 0.924 197 HA SER 28 HA SER 28 -6.557 -5.151 -0.180 198 HB2 SER 28 HB2 SER 28 -4.999 -6.840 -0.949 199 HB3 SER 28 HB3 SER 28 -4.952 -7.575 0.657 200 HG SER 28 HG SER 28 -6.753 -7.902 -1.344 201 HA PRO 29 HA PRO 29 -8.122 -7.197 4.004 202 HB2 PRO 29 HB2 PRO 29 -5.994 -6.106 5.785 203 HB3 PRO 29 HB3 PRO 29 -6.900 -7.629 5.913 204 HG2 PRO 29 HG2 PRO 29 -4.392 -7.678 5.066 205 HG3 PRO 29 HG3 PRO 29 -5.625 -8.682 4.259 206 HD2 PRO 29 HD2 PRO 29 -4.423 -6.070 3.363 207 HD3 PRO 29 HD3 PRO 29 -4.806 -7.525 2.415 208 H LEU 30 H LEU 30 -6.543 -4.133 3.605 209 HA LEU 30 HA LEU 30 -8.149 -2.623 5.413 210 HB2 LEU 30 HB2 LEU 30 -5.896 -1.978 4.308 211 HB3 LEU 30 HB3 LEU 30 -6.864 -1.588 2.877 212 HG LEU 30 HG LEU 30 -6.992 -0.232 5.592 213 HD11 LEU 30 HD11 LEU 30 -6.182 1.712 4.331 214 HD12 LEU 30 HD12 LEU 30 -6.082 0.719 2.877 215 HD13 LEU 30 HD13 LEU 30 -5.045 0.365 4.261 216 HD21 LEU 30 HD21 LEU 30 -8.575 0.382 3.089 217 HD22 LEU 30 HD22 LEU 30 -8.583 1.317 4.587 218 HD23 LEU 30 HD23 LEU 30 -9.227 -0.327 4.570 219 H GLU 31 H GLU 31 -8.155 -3.001 1.903 220 HA GLU 31 HA GLU 31 -10.590 -1.597 1.501 221 HB2 GLU 31 HB2 GLU 31 -8.695 -1.970 -0.174 222 HB3 GLU 31 HB3 GLU 31 -9.357 -3.595 -0.401 223 HG2 GLU 31 HG2 GLU 31 -10.931 -1.058 -0.884 224 HG3 GLU 31 HG3 GLU 31 -10.032 -1.923 -2.136 225 H ARG 32 H ARG 32 -9.771 -5.053 1.536 226 HA ARG 32 HA ARG 32 -12.608 -5.646 1.984 227 HB2 ARG 32 HB2 ARG 32 -11.953 -5.926 -0.474 228 HB3 ARG 32 HB3 ARG 32 -10.869 -7.216 0.057 229 HG2 ARG 32 HG2 ARG 32 -12.871 -8.237 -0.767 230 HG3 ARG 32 HG3 ARG 32 -12.848 -8.423 0.985 231 HD2 ARG 32 HD2 ARG 32 -15.015 -7.644 -0.318 232 HD3 ARG 32 HD3 ARG 32 -14.642 -7.047 1.293 233 HE ARG 32 HE ARG 32 -13.501 -5.363 -0.690 234 HH11 ARG 32 HH11 ARG 32 -16.580 -6.191 0.766 235 HH12 ARG 32 HH12 ARG 32 -17.275 -4.628 0.483 236 HH21 ARG 32 HH21 ARG 32 -14.392 -3.301 -1.043 237 HH22 ARG 32 HH22 ARG 32 -16.039 -2.991 -0.568 238 H SER 33 H SER 33 -12.755 -6.797 3.815 239 HA SER 33 HA SER 33 -10.594 -8.679 4.479 240 HB2 SER 33 HB2 SER 33 -10.274 -6.415 5.634 241 HB3 SER 33 HB3 SER 33 -11.744 -6.778 6.538 242 HG SER 33 HG SER 33 -9.616 -7.378 7.490 Start of MODEL 17 1 HA ALA 1 HA ALA 1 -17.202 1.860 2.082 2 HB1 ALA 1 HB1 ALA 1 -16.365 2.423 4.283 3 HB2 ALA 1 HB2 ALA 1 -14.881 1.524 3.972 4 HB3 ALA 1 HB3 ALA 1 -16.422 0.673 4.079 5 H SER 2 H SER 2 -13.962 1.975 0.946 6 HA SER 2 HA SER 2 -14.122 4.752 0.282 7 HB2 SER 2 HB2 SER 2 -13.650 4.849 2.768 8 HB3 SER 2 HB3 SER 2 -12.127 4.021 2.450 9 HG SER 2 HG SER 2 -12.149 6.422 2.564 10 HA PRO 3 HA PRO 3 -11.294 2.055 -2.312 11 HB2 PRO 3 HB2 PRO 3 -12.386 4.022 -4.277 12 HB3 PRO 3 HB3 PRO 3 -12.102 2.275 -4.464 13 HG2 PRO 3 HG2 PRO 3 -14.564 3.170 -4.136 14 HG3 PRO 3 HG3 PRO 3 -14.022 1.714 -3.272 15 HD2 PRO 3 HD2 PRO 3 -14.360 4.515 -2.200 16 HD3 PRO 3 HD3 PRO 3 -14.760 2.944 -1.439 17 H GLN 4 H GLN 4 -11.707 5.511 -1.900 18 HA GLN 4 HA GLN 4 -9.300 6.280 -3.207 19 HB2 GLN 4 HB2 GLN 4 -10.978 7.740 -1.165 20 HB3 GLN 4 HB3 GLN 4 -9.589 8.443 -1.975 21 HG2 GLN 4 HG2 GLN 4 -10.751 8.081 -4.159 22 HG3 GLN 4 HG3 GLN 4 -12.171 7.553 -3.260 23 HE21 GLN 4 HE21 GLN 4 -10.038 10.092 -2.160 24 HE22 GLN 4 HE22 GLN 4 -11.166 11.391 -2.369 25 H GLN 5 H GLN 5 -10.124 5.617 0.165 26 HA GLN 5 HA GLN 5 -7.639 6.446 1.221 27 HB2 GLN 5 HB2 GLN 5 -8.318 5.587 3.276 28 HB3 GLN 5 HB3 GLN 5 -9.844 5.960 2.493 29 HG2 GLN 5 HG2 GLN 5 -10.093 3.604 1.868 30 HG3 GLN 5 HG3 GLN 5 -8.563 3.238 2.659 31 HE21 GLN 5 HE21 GLN 5 -9.122 5.133 4.849 32 HE22 GLN 5 HE22 GLN 5 -10.291 4.343 5.852 33 H ALA 6 H ALA 6 -8.758 3.473 -0.167 34 HA ALA 6 HA ALA 6 -6.573 1.840 0.591 35 HB1 ALA 6 HB1 ALA 6 -7.292 0.356 -1.213 36 HB2 ALA 6 HB2 ALA 6 -8.387 1.605 -1.805 37 HB3 ALA 6 HB3 ALA 6 -8.655 0.878 -0.218 38 H LYS 7 H LYS 7 -7.169 3.962 -2.155 39 HA LYS 7 HA LYS 7 -4.863 3.237 -3.625 40 HB2 LYS 7 HB2 LYS 7 -6.808 4.472 -4.575 41 HB3 LYS 7 HB3 LYS 7 -6.328 5.882 -3.649 42 HG2 LYS 7 HG2 LYS 7 -5.639 6.035 -5.987 43 HG3 LYS 7 HG3 LYS 7 -4.247 6.041 -4.873 44 HD2 LYS 7 HD2 LYS 7 -3.746 4.601 -6.772 45 HD3 LYS 7 HD3 LYS 7 -3.944 3.609 -5.323 46 HE2 LYS 7 HE2 LYS 7 -5.073 2.552 -7.201 47 HE3 LYS 7 HE3 LYS 7 -6.257 3.105 -6.018 48 HZ1 LYS 7 HZ1 LYS 7 -6.912 3.610 -8.302 49 HZ2 LYS 7 HZ2 LYS 7 -5.530 4.561 -8.499 50 HZ3 LYS 7 HZ3 LYS 7 -6.719 5.019 -7.389 51 H TYR 8 H TYR 8 -5.462 5.517 -1.040 52 HA TYR 8 HA TYR 8 -2.964 6.823 -1.029 53 HB2 TYR 8 HB2 TYR 8 -4.940 7.623 0.232 54 HB3 TYR 8 HB3 TYR 8 -4.811 6.222 1.295 55 HD1 TYR 8 HD1 TYR 8 -3.313 6.208 3.130 56 HD2 TYR 8 HD2 TYR 8 -3.147 9.353 0.272 57 HE1 TYR 8 HE1 TYR 8 -1.837 7.479 4.627 58 HE2 TYR 8 HE2 TYR 8 -1.673 10.637 1.761 59 HH TYR 8 HH TYR 8 -0.191 9.272 4.517 60 H CYS 9 H CYS 9 -4.124 3.869 0.517 61 HA CYS 9 HA CYS 9 -1.831 3.269 2.031 62 HB2 CYS 9 HB2 CYS 9 -4.077 2.152 2.259 63 HB3 CYS 9 HB3 CYS 9 -3.741 1.270 0.766 64 H TYR 10 H TYR 10 -2.786 2.273 -1.234 65 HA TYR 10 HA TYR 10 -0.446 0.757 -1.747 66 HB2 TYR 10 HB2 TYR 10 -2.626 1.875 -3.507 67 HB3 TYR 10 HB3 TYR 10 -1.207 1.086 -4.202 68 HD1 TYR 10 HD1 TYR 10 -0.740 -1.282 -3.664 69 HD2 TYR 10 HD2 TYR 10 -4.395 0.585 -2.541 70 HE1 TYR 10 HE1 TYR 10 -1.764 -3.480 -3.364 71 HE2 TYR 10 HE2 TYR 10 -5.429 -1.618 -2.234 72 HH TYR 10 HH TYR 10 -5.139 -3.907 -2.935 73 H GLU 11 H GLU 11 -1.208 4.165 -2.160 74 HA GLU 11 HA GLU 11 1.019 4.683 -3.846 75 HB2 GLU 11 HB2 GLU 11 -0.946 6.209 -3.731 76 HB3 GLU 11 HB3 GLU 11 -0.471 6.654 -2.076 77 HG2 GLU 11 HG2 GLU 11 1.677 7.503 -2.970 78 HG3 GLU 11 HG3 GLU 11 1.094 7.150 -4.612 79 H GLN 12 H GLN 12 0.501 4.998 -0.322 80 HA GLN 12 HA GLN 12 3.103 6.176 -0.015 81 HB2 GLN 12 HB2 GLN 12 1.057 5.334 2.040 82 HB3 GLN 12 HB3 GLN 12 2.531 6.216 2.398 83 HG2 GLN 12 HG2 GLN 12 0.618 7.290 0.392 84 HG3 GLN 12 HG3 GLN 12 0.285 7.471 2.108 85 HE21 GLN 12 HE21 GLN 12 3.538 7.469 0.846 86 HE22 GLN 12 HE22 GLN 12 3.851 9.143 1.142 87 H CYS 13 H CYS 13 1.807 2.967 0.180 88 HA CYS 13 HA CYS 13 3.507 1.851 2.096 89 HB2 CYS 13 HB2 CYS 13 2.963 -0.323 1.089 90 HB3 CYS 13 HB3 CYS 13 1.514 0.688 1.169 91 H ASN 14 H ASN 14 3.938 1.794 -1.457 92 HA ASN 14 HA ASN 14 6.596 0.791 -1.220 93 HB2 ASN 14 HB2 ASN 14 6.750 1.352 -3.693 94 HB3 ASN 14 HB3 ASN 14 5.492 0.221 -3.223 95 HD21 ASN 14 HD21 ASN 14 5.403 3.771 -2.971 96 HD22 ASN 14 HD22 ASN 14 4.072 3.965 -4.061 97 H VAL 15 H VAL 15 5.264 3.993 -1.238 98 HA VAL 15 HA VAL 15 7.625 5.383 -1.949 99 HB VAL 15 HB VAL 15 5.192 6.262 -0.391 100 HG11 VAL 15 HG11 VAL 15 7.084 7.586 0.386 101 HG12 VAL 15 HG12 VAL 15 6.024 8.569 -0.624 102 HG13 VAL 15 HG13 VAL 15 7.536 7.947 -1.279 103 HG21 VAL 15 HG21 VAL 15 4.698 7.545 -2.418 104 HG22 VAL 15 HG22 VAL 15 4.857 5.828 -2.783 105 HG23 VAL 15 HG23 VAL 15 6.172 6.936 -3.170 106 H ASN 16 H ASN 16 6.331 4.221 1.140 107 HA ASN 16 HA ASN 16 8.448 5.384 2.688 108 HB2 ASN 16 HB2 ASN 16 6.712 2.984 3.371 109 HB3 ASN 16 HB3 ASN 16 7.693 3.922 4.500 110 HD21 ASN 16 HD21 ASN 16 6.937 6.465 3.203 111 HD22 ASN 16 HD22 ASN 16 5.313 6.766 3.724 112 H LYS 17 H LYS 17 7.808 1.898 2.446 113 HA LYS 17 HA LYS 17 9.799 1.218 0.689 114 HB2 LYS 17 HB2 LYS 17 11.576 0.258 2.066 115 HB3 LYS 17 HB3 LYS 17 11.433 1.995 2.345 116 HG2 LYS 17 HG2 LYS 17 10.183 -0.042 4.182 117 HG3 LYS 17 HG3 LYS 17 11.856 0.486 4.362 118 HD2 LYS 17 HD2 LYS 17 11.113 2.807 4.624 119 HD3 LYS 17 HD3 LYS 17 9.418 2.305 4.441 120 HE2 LYS 17 HE2 LYS 17 9.986 2.597 6.798 121 HE3 LYS 17 HE3 LYS 17 9.645 0.902 6.455 122 HZ1 LYS 17 HZ1 LYS 17 12.360 2.088 6.660 123 HZ2 LYS 17 HZ2 LYS 17 12.006 0.455 6.408 124 HZ3 LYS 17 HZ3 LYS 17 11.596 1.192 7.871 125 H VAL 18 H VAL 18 7.896 -0.117 0.134 126 HA VAL 18 HA VAL 18 8.204 -2.697 1.447 127 HB VAL 18 HB VAL 18 6.050 -3.120 2.087 128 HG11 VAL 18 HG11 VAL 18 5.042 -1.263 3.256 129 HG12 VAL 18 HG12 VAL 18 5.993 -0.112 2.315 130 HG13 VAL 18 HG13 VAL 18 6.797 -1.218 3.433 131 HG21 VAL 18 HG21 VAL 18 4.034 -2.125 1.141 132 HG22 VAL 18 HG22 VAL 18 5.073 -2.840 -0.096 133 HG23 VAL 18 HG23 VAL 18 5.029 -1.086 0.113 134 HA PRO 19 HA PRO 19 7.931 -4.074 -2.813 135 HB2 PRO 19 HB2 PRO 19 7.162 -6.661 -1.621 136 HB3 PRO 19 HB3 PRO 19 8.546 -6.273 -2.660 137 HG2 PRO 19 HG2 PRO 19 8.879 -6.806 -0.057 138 HG3 PRO 19 HG3 PRO 19 9.863 -5.593 -0.898 139 HD2 PRO 19 HD2 PRO 19 7.516 -5.175 0.932 140 HD3 PRO 19 HD3 PRO 19 9.048 -4.276 0.808 141 H PHE 20 H PHE 20 6.263 -4.754 -4.296 142 HA PHE 20 HA PHE 20 3.743 -3.739 -3.717 143 HB2 PHE 20 HB2 PHE 20 4.550 -4.043 -6.023 144 HB3 PHE 20 HB3 PHE 20 4.414 -5.789 -5.844 145 HD1 PHE 20 HD1 PHE 20 2.319 -6.892 -6.057 146 HD2 PHE 20 HD2 PHE 20 2.511 -2.640 -6.018 147 HE1 PHE 20 HE1 PHE 20 -0.026 -6.785 -6.790 148 HE2 PHE 20 HE2 PHE 20 0.164 -2.527 -6.751 149 HZ PHE 20 HZ PHE 20 -1.107 -4.600 -7.138 150 H ASP 21 H ASP 21 4.812 -7.124 -3.665 151 HA ASP 21 HA ASP 21 2.303 -8.284 -3.200 152 HB2 ASP 21 HB2 ASP 21 3.616 -10.214 -2.284 153 HB3 ASP 21 HB3 ASP 21 4.121 -9.686 -3.887 154 H GLN 22 H GLN 22 4.688 -6.963 -0.958 155 HA GLN 22 HA GLN 22 3.286 -7.693 1.403 156 HB2 GLN 22 HB2 GLN 22 5.631 -7.146 1.555 157 HB3 GLN 22 HB3 GLN 22 5.355 -5.548 0.871 158 HG2 GLN 22 HG2 GLN 22 4.025 -4.951 2.845 159 HG3 GLN 22 HG3 GLN 22 4.372 -6.541 3.535 160 HE21 GLN 22 HE21 GLN 22 7.092 -6.637 2.564 161 HE22 GLN 22 HE22 GLN 22 7.998 -5.532 3.542 162 H CYS 23 H CYS 23 3.317 -4.818 -0.663 163 HA CYS 23 HA CYS 23 1.596 -3.222 0.904 164 HB2 CYS 23 HB2 CYS 23 2.920 -2.402 -1.106 165 HB3 CYS 23 HB3 CYS 23 1.717 -3.193 -2.127 166 H TYR 24 H TYR 24 0.958 -5.551 -1.662 167 HA TYR 24 HA TYR 24 -1.829 -5.328 -1.739 168 HB2 TYR 24 HB2 TYR 24 -0.303 -6.617 -3.346 169 HB3 TYR 24 HB3 TYR 24 -0.300 -7.912 -2.139 170 HD1 TYR 24 HD1 TYR 24 -2.410 -9.089 -1.598 171 HD2 TYR 24 HD2 TYR 24 -2.162 -6.275 -4.771 172 HE1 TYR 24 HE1 TYR 24 -4.493 -9.980 -2.540 173 HE2 TYR 24 HE2 TYR 24 -4.241 -7.157 -5.728 174 HH TYR 24 HH TYR 24 -5.533 -9.285 -5.678 175 H GLN 25 H GLN 25 0.299 -7.096 0.440 176 HA GLN 25 HA GLN 25 -1.764 -8.763 1.496 177 HB2 GLN 25 HB2 GLN 25 0.658 -9.358 1.467 178 HB3 GLN 25 HB3 GLN 25 0.950 -8.096 2.661 179 HG2 GLN 25 HG2 GLN 25 0.829 -10.311 3.686 180 HG3 GLN 25 HG3 GLN 25 -0.457 -9.256 4.271 181 HE21 GLN 25 HE21 GLN 25 -1.734 -10.982 4.898 182 HE22 GLN 25 HE22 GLN 25 -2.540 -12.007 3.762 183 H MET 26 H MET 26 -0.489 -5.608 2.271 184 HA MET 26 HA MET 26 -1.875 -5.558 4.819 185 HB2 MET 26 HB2 MET 26 0.269 -4.521 4.848 186 HB3 MET 26 HB3 MET 26 -0.088 -3.599 3.397 187 HG2 MET 26 HG2 MET 26 -1.744 -2.282 4.638 188 HG3 MET 26 HG3 MET 26 -1.368 -3.197 6.098 189 HE1 MET 26 HE1 MET 26 0.178 -0.919 3.294 190 HE2 MET 26 HE2 MET 26 1.437 -2.142 3.476 191 HE3 MET 26 HE3 MET 26 1.736 -0.485 3.997 192 H CYS 27 H CYS 27 -2.071 -3.866 1.680 193 HA CYS 27 HA CYS 27 -4.259 -2.249 2.658 194 HB2 CYS 27 HB2 CYS 27 -3.181 -2.389 -0.173 195 HB3 CYS 27 HB3 CYS 27 -4.166 -1.101 0.548 196 H SER 28 H SER 28 -4.010 -5.250 0.901 197 HA SER 28 HA SER 28 -6.480 -5.125 -0.431 198 HB2 SER 28 HB2 SER 28 -5.024 -6.851 -1.139 199 HB3 SER 28 HB3 SER 28 -4.916 -7.536 0.489 200 HG SER 28 HG SER 28 -6.769 -7.954 -1.467 201 HA PRO 29 HA PRO 29 -8.499 -7.264 3.534 202 HB2 PRO 29 HB2 PRO 29 -6.608 -6.091 5.524 203 HB3 PRO 29 HB3 PRO 29 -7.491 -7.632 5.580 204 HG2 PRO 29 HG2 PRO 29 -4.908 -7.644 5.007 205 HG3 PRO 29 HG3 PRO 29 -6.026 -8.681 4.084 206 HD2 PRO 29 HD2 PRO 29 -4.773 -6.063 3.289 207 HD3 PRO 29 HD3 PRO 29 -5.042 -7.531 2.319 208 H LEU 30 H LEU 30 -6.980 -4.166 3.296 209 HA LEU 30 HA LEU 30 -8.862 -2.711 4.896 210 HB2 LEU 30 HB2 LEU 30 -6.435 -2.071 4.251 211 HB3 LEU 30 HB3 LEU 30 -7.122 -1.595 2.690 212 HG LEU 30 HG LEU 30 -7.735 -0.359 5.396 213 HD11 LEU 30 HD11 LEU 30 -6.663 1.619 4.397 214 HD12 LEU 30 HD12 LEU 30 -6.282 0.668 2.959 215 HD13 LEU 30 HD13 LEU 30 -5.558 0.248 4.513 216 HD21 LEU 30 HD21 LEU 30 -9.085 1.267 4.193 217 HD22 LEU 30 HD22 LEU 30 -9.725 -0.359 3.937 218 HD23 LEU 30 HD23 LEU 30 -8.782 0.428 2.670 219 H GLU 31 H GLU 31 -8.334 -3.225 1.444 220 HA GLU 31 HA GLU 31 -10.593 -1.591 0.718 221 HB2 GLU 31 HB2 GLU 31 -8.427 -1.736 -0.575 222 HB3 GLU 31 HB3 GLU 31 -8.914 -3.359 -1.072 223 HG2 GLU 31 HG2 GLU 31 -10.899 -1.243 -1.607 224 HG3 GLU 31 HG3 GLU 31 -9.384 -1.116 -2.510 225 H ARG 32 H ARG 32 -9.764 -4.941 -0.130 226 HA ARG 32 HA ARG 32 -11.012 -6.836 -0.410 227 HB2 ARG 32 HB2 ARG 32 -12.707 -5.440 1.673 228 HB3 ARG 32 HB3 ARG 32 -13.015 -7.091 1.126 229 HG2 ARG 32 HG2 ARG 32 -10.742 -7.732 1.951 230 HG3 ARG 32 HG3 ARG 32 -10.519 -6.084 2.536 231 HD2 ARG 32 HD2 ARG 32 -12.534 -8.117 3.496 232 HD3 ARG 32 HD3 ARG 32 -11.167 -7.447 4.379 233 HE ARG 32 HE ARG 32 -12.878 -5.353 3.600 234 HH11 ARG 32 HH11 ARG 32 -12.743 -8.054 5.815 235 HH12 ARG 32 HH12 ARG 32 -13.798 -7.321 6.979 236 HH21 ARG 32 HH21 ARG 32 -14.279 -4.383 5.125 237 HH22 ARG 32 HH22 ARG 32 -14.675 -5.230 6.584 238 H SER 33 H SER 33 -11.481 -6.254 -2.601 239 HA SER 33 HA SER 33 -14.025 -5.088 -3.260 240 HB2 SER 33 HB2 SER 33 -12.272 -6.839 -5.020 241 HB3 SER 33 HB3 SER 33 -13.553 -5.756 -5.554 242 HG SER 33 HG SER 33 -11.843 -4.340 -4.076 Start of MODEL 18 1 HA ALA 1 HA ALA 1 -15.734 0.961 -1.724 2 HB1 ALA 1 HB1 ALA 1 -18.107 0.876 -1.111 3 HB2 ALA 1 HB2 ALA 1 -17.742 2.277 -2.119 4 HB3 ALA 1 HB3 ALA 1 -17.970 2.476 -0.382 5 H SER 2 H SER 2 -13.624 1.938 -1.247 6 HA SER 2 HA SER 2 -13.720 4.789 -1.708 7 HB2 SER 2 HB2 SER 2 -13.768 4.586 0.818 8 HB3 SER 2 HB3 SER 2 -12.202 3.781 0.719 9 HG SER 2 HG SER 2 -12.741 6.403 0.678 10 HA PRO 3 HA PRO 3 -10.381 2.338 -3.865 11 HB2 PRO 3 HB2 PRO 3 -11.118 4.219 -6.036 12 HB3 PRO 3 HB3 PRO 3 -10.880 2.459 -6.094 13 HG2 PRO 3 HG2 PRO 3 -13.324 3.515 -6.242 14 HG3 PRO 3 HG3 PRO 3 -13.018 2.008 -5.352 15 HD2 PRO 3 HD2 PRO 3 -13.437 4.788 -4.255 16 HD3 PRO 3 HD3 PRO 3 -14.023 3.213 -3.632 17 H GLN 4 H GLN 4 -10.975 5.601 -3.065 18 HA GLN 4 HA GLN 4 -8.424 6.573 -4.021 19 HB2 GLN 4 HB2 GLN 4 -10.540 7.931 -2.345 20 HB3 GLN 4 HB3 GLN 4 -9.077 8.709 -2.927 21 HG2 GLN 4 HG2 GLN 4 -9.828 8.237 -5.265 22 HG3 GLN 4 HG3 GLN 4 -11.349 7.640 -4.603 23 HE21 GLN 4 HE21 GLN 4 -11.302 9.666 -2.448 24 HE22 GLN 4 HE22 GLN 4 -11.760 11.151 -3.211 25 H GLN 5 H GLN 5 -9.943 5.979 -0.849 26 HA GLN 5 HA GLN 5 -7.622 6.736 0.592 27 HB2 GLN 5 HB2 GLN 5 -8.730 6.148 2.539 28 HB3 GLN 5 HB3 GLN 5 -10.061 6.523 1.461 29 HG2 GLN 5 HG2 GLN 5 -10.923 4.558 2.037 30 HG3 GLN 5 HG3 GLN 5 -9.642 3.815 1.080 31 HE21 GLN 5 HE21 GLN 5 -7.545 4.714 2.948 32 HE22 GLN 5 HE22 GLN 5 -7.682 3.686 4.334 33 H ALA 6 H ALA 6 -8.770 3.708 -0.710 34 HA ALA 6 HA ALA 6 -6.782 2.073 0.471 35 HB1 ALA 6 HB1 ALA 6 -8.769 1.078 -0.518 36 HB2 ALA 6 HB2 ALA 6 -7.313 0.451 -1.296 37 HB3 ALA 6 HB3 ALA 6 -8.289 1.671 -2.108 38 H LYS 7 H LYS 7 -6.898 4.002 -2.459 39 HA LYS 7 HA LYS 7 -4.461 3.074 -3.557 40 HB2 LYS 7 HB2 LYS 7 -6.279 4.377 -4.761 41 HB3 LYS 7 HB3 LYS 7 -5.661 5.816 -3.962 42 HG2 LYS 7 HG2 LYS 7 -4.813 5.619 -6.238 43 HG3 LYS 7 HG3 LYS 7 -3.496 5.517 -5.039 44 HD2 LYS 7 HD2 LYS 7 -3.347 3.137 -5.295 45 HD3 LYS 7 HD3 LYS 7 -4.842 3.076 -6.233 46 HE2 LYS 7 HE2 LYS 7 -2.263 4.390 -7.101 47 HE3 LYS 7 HE3 LYS 7 -2.867 2.838 -7.680 48 HZ1 LYS 7 HZ1 LYS 7 -4.163 5.484 -8.064 49 HZ2 LYS 7 HZ2 LYS 7 -4.821 4.006 -8.555 50 HZ3 LYS 7 HZ3 LYS 7 -3.384 4.564 -9.249 51 H TYR 8 H TYR 8 -5.282 5.469 -1.154 52 HA TYR 8 HA TYR 8 -2.769 6.749 -1.019 53 HB2 TYR 8 HB2 TYR 8 -4.840 7.695 -0.018 54 HB3 TYR 8 HB3 TYR 8 -4.792 6.424 1.209 55 HD1 TYR 8 HD1 TYR 8 -2.880 9.294 -0.149 56 HD2 TYR 8 HD2 TYR 8 -3.504 6.695 3.158 57 HE1 TYR 8 HE1 TYR 8 -1.401 10.699 1.222 58 HE2 TYR 8 HE2 TYR 8 -2.029 8.091 4.540 59 HH TYR 8 HH TYR 8 -0.203 9.700 4.245 60 H CYS 9 H CYS 9 -4.163 3.992 0.725 61 HA CYS 9 HA CYS 9 -2.060 3.394 2.441 62 HB2 CYS 9 HB2 CYS 9 -4.032 2.081 2.704 63 HB3 CYS 9 HB3 CYS 9 -4.029 1.581 1.006 64 H TYR 10 H TYR 10 -2.590 2.216 -0.849 65 HA TYR 10 HA TYR 10 -0.191 0.743 -1.012 66 HB2 TYR 10 HB2 TYR 10 -2.132 1.763 -3.090 67 HB3 TYR 10 HB3 TYR 10 -0.670 0.871 -3.531 68 HD1 TYR 10 HD1 TYR 10 -0.373 -1.443 -2.784 69 HD2 TYR 10 HD2 TYR 10 -4.044 0.614 -2.155 70 HE1 TYR 10 HE1 TYR 10 -1.499 -3.570 -2.392 71 HE2 TYR 10 HE2 TYR 10 -5.179 -1.517 -1.760 72 HH TYR 10 HH TYR 10 -4.855 -3.917 -2.343 73 H GLU 11 H GLU 11 -0.999 4.073 -1.819 74 HA GLU 11 HA GLU 11 1.322 4.783 -3.203 75 HB2 GLU 11 HB2 GLU 11 -0.739 6.213 -2.928 76 HB3 GLU 11 HB3 GLU 11 -0.198 6.533 -1.265 77 HG2 GLU 11 HG2 GLU 11 0.416 8.381 -2.658 78 HG3 GLU 11 HG3 GLU 11 1.883 7.503 -2.164 79 H GLN 12 H GLN 12 0.589 4.936 0.276 80 HA GLN 12 HA GLN 12 3.029 6.098 1.043 81 HB2 GLN 12 HB2 GLN 12 1.262 4.315 2.733 82 HB3 GLN 12 HB3 GLN 12 2.499 5.412 3.315 83 HG2 GLN 12 HG2 GLN 12 0.019 6.219 1.845 84 HG3 GLN 12 HG3 GLN 12 0.261 6.303 3.582 85 HE21 GLN 12 HE21 GLN 12 1.117 7.633 0.505 86 HE22 GLN 12 HE22 GLN 12 1.836 9.091 1.104 87 H CYS 13 H CYS 13 2.160 2.820 0.302 88 HA CYS 13 HA CYS 13 4.274 1.518 1.604 89 HB2 CYS 13 HB2 CYS 13 2.618 0.772 -0.808 90 HB3 CYS 13 HB3 CYS 13 3.918 -0.260 -0.212 91 H ASN 14 H ASN 14 4.058 2.672 -1.790 92 HA ASN 14 HA ASN 14 6.808 1.996 -2.255 93 HB2 ASN 14 HB2 ASN 14 6.454 3.282 -4.419 94 HB3 ASN 14 HB3 ASN 14 5.405 1.894 -4.162 95 HD21 ASN 14 HD21 ASN 14 5.511 5.439 -4.134 96 HD22 ASN 14 HD22 ASN 14 3.789 5.646 -4.271 97 H VAL 15 H VAL 15 5.077 4.825 -1.200 98 HA VAL 15 HA VAL 15 7.100 6.729 -1.574 99 HB VAL 15 HB VAL 15 4.904 6.580 0.493 100 HG11 VAL 15 HG11 VAL 15 6.786 8.885 -0.040 101 HG12 VAL 15 HG12 VAL 15 6.759 7.893 1.417 102 HG13 VAL 15 HG13 VAL 15 5.382 8.924 1.028 103 HG21 VAL 15 HG21 VAL 15 4.174 6.912 -1.825 104 HG22 VAL 15 HG22 VAL 15 5.254 8.299 -1.970 105 HG23 VAL 15 HG23 VAL 15 3.888 8.358 -0.857 106 H ASN 16 H ASN 16 6.491 4.479 1.136 107 HA ASN 16 HA ASN 16 8.835 5.516 2.517 108 HB2 ASN 16 HB2 ASN 16 7.113 3.116 3.226 109 HB3 ASN 16 HB3 ASN 16 8.308 3.897 4.265 110 HD21 ASN 16 HD21 ASN 16 7.485 6.576 3.358 111 HD22 ASN 16 HD22 ASN 16 5.991 6.889 4.171 112 H LYS 17 H LYS 17 7.997 2.108 2.038 113 HA LYS 17 HA LYS 17 9.752 1.408 0.074 114 HB2 LYS 17 HB2 LYS 17 11.638 2.091 1.402 115 HB3 LYS 17 HB3 LYS 17 11.027 1.223 2.816 116 HG2 LYS 17 HG2 LYS 17 12.835 -0.046 1.967 117 HG3 LYS 17 HG3 LYS 17 11.361 -0.913 1.532 118 HD2 LYS 17 HD2 LYS 17 11.515 0.024 -0.779 119 HD3 LYS 17 HD3 LYS 17 12.997 0.878 -0.298 120 HE2 LYS 17 HE2 LYS 17 14.148 -1.182 0.062 121 HE3 LYS 17 HE3 LYS 17 12.666 -2.114 -0.142 122 HZ1 LYS 17 HZ1 LYS 17 14.119 -2.141 -2.112 123 HZ2 LYS 17 HZ2 LYS 17 13.919 -0.470 -2.274 124 HZ3 LYS 17 HZ3 LYS 17 12.592 -1.501 -2.444 125 H VAL 18 H VAL 18 7.814 0.073 -0.244 126 HA VAL 18 HA VAL 18 8.227 -2.510 0.970 127 HB VAL 18 HB VAL 18 6.591 -2.506 2.494 128 HG11 VAL 18 HG11 VAL 18 5.158 -0.565 2.936 129 HG12 VAL 18 HG12 VAL 18 5.720 0.173 1.437 130 HG13 VAL 18 HG13 VAL 18 6.857 -0.122 2.749 131 HG21 VAL 18 HG21 VAL 18 4.218 -2.462 1.791 132 HG22 VAL 18 HG22 VAL 18 5.222 -3.509 0.784 133 HG23 VAL 18 HG23 VAL 18 4.735 -1.927 0.190 134 HA PRO 19 HA PRO 19 7.252 -3.654 -3.206 135 HB2 PRO 19 HB2 PRO 19 6.723 -6.318 -2.063 136 HB3 PRO 19 HB3 PRO 19 7.918 -5.836 -3.281 137 HG2 PRO 19 HG2 PRO 19 8.629 -6.512 -0.774 138 HG3 PRO 19 HG3 PRO 19 9.497 -5.292 -1.722 139 HD2 PRO 19 HD2 PRO 19 7.553 -4.909 0.519 140 HD3 PRO 19 HD3 PRO 19 9.008 -3.979 0.089 141 H PHE 20 H PHE 20 5.409 -4.174 -4.440 142 HA PHE 20 HA PHE 20 2.932 -3.504 -3.345 143 HB2 PHE 20 HB2 PHE 20 3.412 -3.368 -5.765 144 HB3 PHE 20 HB3 PHE 20 3.430 -5.127 -5.854 145 HD1 PHE 20 HD1 PHE 20 1.415 -6.379 -5.955 146 HD2 PHE 20 HD2 PHE 20 1.305 -2.186 -5.243 147 HE1 PHE 20 HE1 PHE 20 -1.018 -6.384 -6.326 148 HE2 PHE 20 HE2 PHE 20 -1.129 -2.183 -5.613 149 HZ PHE 20 HZ PHE 20 -2.293 -4.285 -6.154 150 H ASP 21 H ASP 21 4.373 -6.687 -3.910 151 HA ASP 21 HA ASP 21 2.124 -8.250 -3.343 152 HB2 ASP 21 HB2 ASP 21 3.725 -10.071 -2.848 153 HB3 ASP 21 HB3 ASP 21 4.116 -9.229 -4.342 154 H GLN 22 H GLN 22 4.549 -6.877 -1.175 155 HA GLN 22 HA GLN 22 3.432 -8.055 1.172 156 HB2 GLN 22 HB2 GLN 22 5.778 -7.390 1.126 157 HB3 GLN 22 HB3 GLN 22 5.328 -5.717 0.843 158 HG2 GLN 22 HG2 GLN 22 4.126 -5.771 3.047 159 HG3 GLN 22 HG3 GLN 22 4.872 -7.350 3.318 160 HE21 GLN 22 HE21 GLN 22 6.026 -6.664 5.085 161 HE22 GLN 22 HE22 GLN 22 7.386 -5.602 4.960 162 H CYS 23 H CYS 23 3.154 -4.899 -0.431 163 HA CYS 23 HA CYS 23 1.577 -3.663 1.563 164 HB2 CYS 23 HB2 CYS 23 2.701 -2.527 -0.455 165 HB3 CYS 23 HB3 CYS 23 1.302 -3.062 -1.385 166 H TYR 24 H TYR 24 0.787 -5.695 -1.173 167 HA TYR 24 HA TYR 24 -2.000 -5.470 -1.120 168 HB2 TYR 24 HB2 TYR 24 -0.503 -6.641 -2.870 169 HB3 TYR 24 HB3 TYR 24 -0.544 -8.034 -1.778 170 HD1 TYR 24 HD1 TYR 24 -2.557 -9.348 -1.522 171 HD2 TYR 24 HD2 TYR 24 -2.502 -5.911 -4.026 172 HE1 TYR 24 HE1 TYR 24 -4.678 -10.058 -2.537 173 HE2 TYR 24 HE2 TYR 24 -4.623 -6.605 -5.043 174 HH TYR 24 HH TYR 24 -6.482 -9.290 -3.784 175 H GLN 25 H GLN 25 0.210 -7.278 0.908 176 HA GLN 25 HA GLN 25 -1.862 -8.991 1.942 177 HB2 GLN 25 HB2 GLN 25 1.024 -8.533 2.702 178 HB3 GLN 25 HB3 GLN 25 -0.037 -9.530 3.692 179 HG2 GLN 25 HG2 GLN 25 0.604 -10.030 0.773 180 HG3 GLN 25 HG3 GLN 25 1.307 -10.883 2.145 181 HE21 GLN 25 HE21 GLN 25 -1.502 -10.457 0.164 182 HE22 GLN 25 HE22 GLN 25 -2.382 -11.824 0.762 183 H MET 26 H MET 26 -0.760 -5.826 2.599 184 HA MET 26 HA MET 26 -1.775 -5.838 5.317 185 HB2 MET 26 HB2 MET 26 0.238 -4.582 4.973 186 HB3 MET 26 HB3 MET 26 -0.469 -3.728 3.613 187 HG2 MET 26 HG2 MET 26 -2.032 -2.599 5.135 188 HG3 MET 26 HG3 MET 26 -1.291 -3.439 6.498 189 HE1 MET 26 HE1 MET 26 0.531 -2.013 3.330 190 HE2 MET 26 HE2 MET 26 1.052 -0.428 3.883 191 HE3 MET 26 HE3 MET 26 -0.663 -0.751 3.624 192 H CYS 27 H CYS 27 -2.627 -4.349 2.183 193 HA CYS 27 HA CYS 27 -5.058 -3.355 3.498 194 HB2 CYS 27 HB2 CYS 27 -3.444 -2.234 1.233 195 HB3 CYS 27 HB3 CYS 27 -5.175 -1.848 1.361 196 H SER 28 H SER 28 -4.310 -5.972 1.664 197 HA SER 28 HA SER 28 -6.512 -6.109 -0.043 198 HB2 SER 28 HB2 SER 28 -6.404 -8.635 0.397 199 HB3 SER 28 HB3 SER 28 -4.981 -7.858 -0.305 200 HG SER 28 HG SER 28 -3.891 -8.176 1.492 201 HA PRO 29 HA PRO 29 -9.157 -7.629 3.806 202 HB2 PRO 29 HB2 PRO 29 -7.764 -6.020 5.885 203 HB3 PRO 29 HB3 PRO 29 -8.537 -7.614 6.022 204 HG2 PRO 29 HG2 PRO 29 -5.889 -7.443 5.980 205 HG3 PRO 29 HG3 PRO 29 -6.717 -8.727 5.062 206 HD2 PRO 29 HD2 PRO 29 -5.542 -6.137 4.060 207 HD3 PRO 29 HD3 PRO 29 -5.451 -7.772 3.351 208 H LEU 30 H LEU 30 -7.814 -4.653 2.903 209 HA LEU 30 HA LEU 30 -9.987 -3.038 3.974 210 HB2 LEU 30 HB2 LEU 30 -7.454 -2.378 3.785 211 HB3 LEU 30 HB3 LEU 30 -7.849 -2.065 2.087 212 HG LEU 30 HG LEU 30 -8.934 -0.638 4.533 213 HD11 LEU 30 HD11 LEU 30 -6.718 0.061 3.823 214 HD12 LEU 30 HD12 LEU 30 -7.898 1.316 3.449 215 HD13 LEU 30 HD13 LEU 30 -7.290 0.268 2.168 216 HD21 LEU 30 HD21 LEU 30 -10.266 0.738 3.042 217 HD22 LEU 30 HD22 LEU 30 -10.745 -0.953 2.875 218 HD23 LEU 30 HD23 LEU 30 -9.728 -0.198 1.649 219 H GLU 31 H GLU 31 -8.459 -3.317 0.764 220 HA GLU 31 HA GLU 31 -10.930 -2.459 -0.472 221 HB2 GLU 31 HB2 GLU 31 -8.440 -1.879 -1.144 222 HB3 GLU 31 HB3 GLU 31 -8.573 -3.380 -2.068 223 HG2 GLU 31 HG2 GLU 31 -10.472 -1.042 -2.355 224 HG3 GLU 31 HG3 GLU 31 -9.049 -1.304 -3.370 225 H ARG 32 H ARG 32 -8.758 -5.135 -1.349 226 HA ARG 32 HA ARG 32 -10.884 -7.078 -1.286 227 HB2 ARG 32 HB2 ARG 32 -9.842 -5.957 -3.876 228 HB3 ARG 32 HB3 ARG 32 -10.326 -7.654 -3.801 229 HG2 ARG 32 HG2 ARG 32 -12.596 -7.030 -3.207 230 HG3 ARG 32 HG3 ARG 32 -12.130 -5.335 -3.047 231 HD2 ARG 32 HD2 ARG 32 -13.340 -5.988 -5.167 232 HD3 ARG 32 HD3 ARG 32 -11.843 -5.086 -5.375 233 HE ARG 32 HE ARG 32 -11.415 -7.909 -5.474 234 HH11 ARG 32 HH11 ARG 32 -12.549 -5.179 -7.329 235 HH12 ARG 32 HH12 ARG 32 -12.156 -5.888 -8.862 236 HH21 ARG 32 HH21 ARG 32 -10.867 -8.849 -7.482 237 HH22 ARG 32 HH22 ARG 32 -11.197 -7.985 -8.949 238 H SER 33 H SER 33 -10.124 -9.204 -1.486 239 HA SER 33 HA SER 33 -7.187 -9.429 -1.306 240 HB2 SER 33 HB2 SER 33 -9.235 -11.294 -0.055 241 HB3 SER 33 HB3 SER 33 -7.489 -11.325 0.184 242 HG SER 33 HG SER 33 -9.166 -9.139 0.876 Start of MODEL 19 1 HA ALA 1 HA ALA 1 -16.823 1.161 0.742 2 HB1 ALA 1 HB1 ALA 1 -14.135 -0.140 1.156 3 HB2 ALA 1 HB2 ALA 1 -15.692 -0.967 1.186 4 HB3 ALA 1 HB3 ALA 1 -15.315 0.245 2.410 5 H SER 2 H SER 2 -13.443 1.747 -0.260 6 HA SER 2 HA SER 2 -13.639 4.535 0.495 7 HB2 SER 2 HB2 SER 2 -13.185 3.226 2.664 8 HB3 SER 2 HB3 SER 2 -11.611 2.836 1.973 9 HG SER 2 HG SER 2 -12.337 5.514 1.930 10 HA PRO 3 HA PRO 3 -10.912 3.186 -3.117 11 HB2 PRO 3 HB2 PRO 3 -11.921 5.826 -4.061 12 HB3 PRO 3 HB3 PRO 3 -11.743 4.295 -4.946 13 HG2 PRO 3 HG2 PRO 3 -14.141 5.141 -4.160 14 HG3 PRO 3 HG3 PRO 3 -13.703 3.422 -4.099 15 HD2 PRO 3 HD2 PRO 3 -13.921 5.388 -1.839 16 HD3 PRO 3 HD3 PRO 3 -14.294 3.637 -1.874 17 H GLN 4 H GLN 4 -11.222 6.591 -2.045 18 HA GLN 4 HA GLN 4 -8.638 7.310 -2.909 19 HB2 GLN 4 HB2 GLN 4 -10.487 8.607 -0.912 20 HB3 GLN 4 HB3 GLN 4 -8.932 9.295 -1.349 21 HG2 GLN 4 HG2 GLN 4 -9.658 9.479 -3.681 22 HG3 GLN 4 HG3 GLN 4 -11.219 8.778 -3.255 23 HE21 GLN 4 HE21 GLN 4 -10.632 11.395 -4.403 24 HE22 GLN 4 HE22 GLN 4 -11.274 12.561 -3.292 25 H GLN 5 H GLN 5 -9.838 6.327 0.256 26 HA GLN 5 HA GLN 5 -7.361 6.782 1.568 27 HB2 GLN 5 HB2 GLN 5 -9.788 5.194 2.363 28 HB3 GLN 5 HB3 GLN 5 -8.360 5.314 3.381 29 HG2 GLN 5 HG2 GLN 5 -9.991 7.665 2.422 30 HG3 GLN 5 HG3 GLN 5 -10.129 6.919 4.013 31 HE21 GLN 5 HE21 GLN 5 -7.239 6.448 4.217 32 HE22 GLN 5 HE22 GLN 5 -6.532 7.994 4.539 33 H ALA 6 H ALA 6 -8.832 3.949 0.076 34 HA ALA 6 HA ALA 6 -6.764 2.143 0.808 35 HB1 ALA 6 HB1 ALA 6 -8.939 1.331 0.067 36 HB2 ALA 6 HB2 ALA 6 -7.650 0.697 -0.958 37 HB3 ALA 6 HB3 ALA 6 -8.662 2.019 -1.535 38 H LYS 7 H LYS 7 -7.264 4.292 -1.945 39 HA LYS 7 HA LYS 7 -5.057 3.421 -3.477 40 HB2 LYS 7 HB2 LYS 7 -6.891 4.839 -4.369 41 HB3 LYS 7 HB3 LYS 7 -6.310 6.176 -3.392 42 HG2 LYS 7 HG2 LYS 7 -5.621 6.380 -5.723 43 HG3 LYS 7 HG3 LYS 7 -4.224 6.235 -4.625 44 HD2 LYS 7 HD2 LYS 7 -3.863 4.847 -6.602 45 HD3 LYS 7 HD3 LYS 7 -4.090 3.817 -5.184 46 HE2 LYS 7 HE2 LYS 7 -5.328 2.907 -7.071 47 HE3 LYS 7 HE3 LYS 7 -6.442 3.479 -5.833 48 HZ1 LYS 7 HZ1 LYS 7 -5.702 4.985 -8.281 49 HZ2 LYS 7 HZ2 LYS 7 -6.834 5.466 -7.119 50 HZ3 LYS 7 HZ3 LYS 7 -7.130 4.104 -8.074 51 H TYR 8 H TYR 8 -5.398 5.753 -0.880 52 HA TYR 8 HA TYR 8 -2.820 6.861 -0.933 53 HB2 TYR 8 HB2 TYR 8 -4.659 7.816 0.387 54 HB3 TYR 8 HB3 TYR 8 -4.667 6.385 1.419 55 HD1 TYR 8 HD1 TYR 8 -3.248 6.230 3.279 56 HD2 TYR 8 HD2 TYR 8 -2.624 9.310 0.417 57 HE1 TYR 8 HE1 TYR 8 -1.645 7.301 4.797 58 HE2 TYR 8 HE2 TYR 8 -1.018 10.399 1.930 59 HH TYR 8 HH TYR 8 -0.423 10.474 4.254 60 H CYS 9 H CYS 9 -4.103 3.964 0.617 61 HA CYS 9 HA CYS 9 -1.755 3.244 2.019 62 HB2 CYS 9 HB2 CYS 9 -4.064 2.295 2.420 63 HB3 CYS 9 HB3 CYS 9 -3.868 1.337 0.946 64 H TYR 10 H TYR 10 -3.029 2.207 -1.136 65 HA TYR 10 HA TYR 10 -0.846 0.537 -1.807 66 HB2 TYR 10 HB2 TYR 10 -2.996 1.879 -3.445 67 HB3 TYR 10 HB3 TYR 10 -1.698 0.964 -4.210 68 HD1 TYR 10 HD1 TYR 10 -1.446 -1.463 -3.669 69 HD2 TYR 10 HD2 TYR 10 -4.866 0.782 -2.496 70 HE1 TYR 10 HE1 TYR 10 -2.718 -3.546 -3.407 71 HE2 TYR 10 HE2 TYR 10 -6.140 -1.292 -2.231 72 HH TYR 10 HH TYR 10 -6.068 -3.611 -3.152 73 H GLU 11 H GLU 11 -1.309 3.977 -2.042 74 HA GLU 11 HA GLU 11 0.844 4.333 -3.899 75 HB2 GLU 11 HB2 GLU 11 -1.123 5.894 -3.719 76 HB3 GLU 11 HB3 GLU 11 -0.472 6.447 -2.162 77 HG2 GLU 11 HG2 GLU 11 1.580 7.173 -3.323 78 HG3 GLU 11 HG3 GLU 11 0.839 6.695 -4.869 79 H GLN 12 H GLN 12 0.413 4.910 -0.394 80 HA GLN 12 HA GLN 12 3.084 5.926 -0.168 81 HB2 GLN 12 HB2 GLN 12 0.940 5.334 1.870 82 HB3 GLN 12 HB3 GLN 12 2.510 5.998 2.290 83 HG2 GLN 12 HG2 GLN 12 0.890 7.337 0.196 84 HG3 GLN 12 HG3 GLN 12 0.454 7.543 1.888 85 HE21 GLN 12 HE21 GLN 12 3.760 7.059 0.974 86 HE22 GLN 12 HE22 GLN 12 4.291 8.673 1.292 87 H CYS 13 H CYS 13 1.665 2.802 0.049 88 HA CYS 13 HA CYS 13 3.286 1.599 1.978 89 HB2 CYS 13 HB2 CYS 13 2.726 -0.537 0.878 90 HB3 CYS 13 HB3 CYS 13 1.296 0.497 0.981 91 H ASN 14 H ASN 14 3.793 1.643 -1.564 92 HA ASN 14 HA ASN 14 6.441 0.582 -1.315 93 HB2 ASN 14 HB2 ASN 14 6.607 1.246 -3.769 94 HB3 ASN 14 HB3 ASN 14 5.348 0.089 -3.360 95 HD21 ASN 14 HD21 ASN 14 3.147 0.784 -3.434 96 HD22 ASN 14 HD22 ASN 14 2.695 2.235 -4.258 97 H VAL 15 H VAL 15 5.101 3.811 -1.494 98 HA VAL 15 HA VAL 15 7.470 5.181 -2.136 99 HB VAL 15 HB VAL 15 5.050 6.120 -0.587 100 HG11 VAL 15 HG11 VAL 15 5.873 8.402 -0.952 101 HG12 VAL 15 HG12 VAL 15 7.351 7.755 -1.665 102 HG13 VAL 15 HG13 VAL 15 6.995 7.466 0.038 103 HG21 VAL 15 HG21 VAL 15 4.479 7.275 -2.659 104 HG22 VAL 15 HG22 VAL 15 4.644 5.543 -2.943 105 HG23 VAL 15 HG23 VAL 15 5.933 6.644 -3.428 106 H ASN 16 H ASN 16 6.034 4.294 0.996 107 HA ASN 16 HA ASN 16 8.101 5.459 2.552 108 HB2 ASN 16 HB2 ASN 16 6.190 3.186 3.188 109 HB3 ASN 16 HB3 ASN 16 7.280 3.929 4.367 110 HD21 ASN 16 HD21 ASN 16 4.367 3.839 4.440 111 HD22 ASN 16 HD22 ASN 16 3.841 5.487 4.451 112 H LYS 17 H LYS 17 7.499 1.951 2.395 113 HA LYS 17 HA LYS 17 9.654 1.259 0.816 114 HB2 LYS 17 HB2 LYS 17 10.968 2.190 2.769 115 HB3 LYS 17 HB3 LYS 17 10.333 0.844 3.725 116 HG2 LYS 17 HG2 LYS 17 11.397 -0.748 2.204 117 HG3 LYS 17 HG3 LYS 17 12.028 0.591 1.233 118 HD2 LYS 17 HD2 LYS 17 13.212 1.426 3.299 119 HD3 LYS 17 HD3 LYS 17 12.675 -0.057 4.116 120 HE2 LYS 17 HE2 LYS 17 13.878 -1.411 2.484 121 HE3 LYS 17 HE3 LYS 17 14.396 0.045 1.636 122 HZ1 LYS 17 HZ1 LYS 17 15.635 0.723 3.568 123 HZ2 LYS 17 HZ2 LYS 17 16.105 -0.842 3.131 124 HZ3 LYS 17 HZ3 LYS 17 15.076 -0.607 4.450 125 H VAL 18 H VAL 18 7.771 -0.120 0.199 126 HA VAL 18 HA VAL 18 8.154 -2.679 1.538 127 HB VAL 18 HB VAL 18 5.950 -3.250 1.952 128 HG11 VAL 18 HG11 VAL 18 6.595 -1.461 3.492 129 HG12 VAL 18 HG12 VAL 18 4.855 -1.508 3.212 130 HG13 VAL 18 HG13 VAL 18 5.841 -0.274 2.426 131 HG21 VAL 18 HG21 VAL 18 5.102 -2.783 -0.260 132 HG22 VAL 18 HG22 VAL 18 5.015 -1.058 0.110 133 HG23 VAL 18 HG23 VAL 18 3.979 -2.201 0.974 134 HA PRO 19 HA PRO 19 8.062 -4.087 -2.747 135 HB2 PRO 19 HB2 PRO 19 7.358 -6.699 -1.573 136 HB3 PRO 19 HB3 PRO 19 8.762 -6.260 -2.563 137 HG2 PRO 19 HG2 PRO 19 9.022 -6.788 0.050 138 HG3 PRO 19 HG3 PRO 19 9.996 -5.545 -0.756 139 HD2 PRO 19 HD2 PRO 19 7.568 -5.199 0.983 140 HD3 PRO 19 HD3 PRO 19 9.080 -4.257 0.930 141 H PHE 20 H PHE 20 6.415 -4.869 -4.249 142 HA PHE 20 HA PHE 20 3.856 -3.960 -3.710 143 HB2 PHE 20 HB2 PHE 20 4.621 -4.363 -6.006 144 HB3 PHE 20 HB3 PHE 20 4.597 -6.100 -5.721 145 HD1 PHE 20 HD1 PHE 20 2.493 -3.089 -6.010 146 HD2 PHE 20 HD2 PHE 20 2.576 -7.339 -5.828 147 HE1 PHE 20 HE1 PHE 20 0.124 -3.160 -6.666 148 HE2 PHE 20 HE2 PHE 20 0.209 -7.418 -6.488 149 HZ PHE 20 HZ PHE 20 -1.019 -5.328 -6.905 150 H ASP 21 H ASP 21 5.080 -7.280 -3.399 151 HA ASP 21 HA ASP 21 2.635 -8.521 -2.883 152 HB2 ASP 21 HB2 ASP 21 3.892 -10.340 -1.864 153 HB3 ASP 21 HB3 ASP 21 4.682 -9.804 -3.340 154 H GLN 22 H GLN 22 4.826 -6.821 -0.712 155 HA GLN 22 HA GLN 22 3.381 -7.431 1.658 156 HB2 GLN 22 HB2 GLN 22 5.733 -6.717 1.690 157 HB3 GLN 22 HB3 GLN 22 5.250 -5.122 1.115 158 HG2 GLN 22 HG2 GLN 22 5.605 -5.074 3.493 159 HG3 GLN 22 HG3 GLN 22 3.889 -4.826 3.132 160 HE21 GLN 22 HE21 GLN 22 3.251 -5.496 5.183 161 HE22 GLN 22 HE22 GLN 22 3.298 -7.162 5.659 162 H CYS 23 H CYS 23 3.241 -4.833 -0.718 163 HA CYS 23 HA CYS 23 1.407 -3.196 0.712 164 HB2 CYS 23 HB2 CYS 23 2.766 -2.495 -1.347 165 HB3 CYS 23 HB3 CYS 23 1.566 -3.363 -2.308 166 H TYR 24 H TYR 24 0.993 -5.754 -1.691 167 HA TYR 24 HA TYR 24 -1.828 -5.754 -1.732 168 HB2 TYR 24 HB2 TYR 24 -0.435 -6.865 -3.447 169 HB3 TYR 24 HB3 TYR 24 0.117 -8.033 -2.236 170 HD1 TYR 24 HD1 TYR 24 -2.846 -6.860 -4.112 171 HD2 TYR 24 HD2 TYR 24 -1.155 -9.947 -1.728 172 HE1 TYR 24 HE1 TYR 24 -4.738 -8.315 -4.668 173 HE2 TYR 24 HE2 TYR 24 -3.045 -11.412 -2.277 174 HH TYR 24 HH TYR 24 -5.274 -11.338 -3.061 175 H GLN 25 H GLN 25 0.492 -7.035 0.506 176 HA GLN 25 HA GLN 25 -1.249 -8.931 1.739 177 HB2 GLN 25 HB2 GLN 25 1.272 -9.012 1.759 178 HB3 GLN 25 HB3 GLN 25 1.249 -7.641 2.867 179 HG2 GLN 25 HG2 GLN 25 1.567 -9.724 4.076 180 HG3 GLN 25 HG3 GLN 25 0.021 -8.992 4.506 181 HE21 GLN 25 HE21 GLN 25 1.585 -11.573 2.766 182 HE22 GLN 25 HE22 GLN 25 0.183 -12.576 2.602 183 H MET 26 H MET 26 -0.312 -5.586 2.355 184 HA MET 26 HA MET 26 -1.862 -5.535 4.809 185 HB2 MET 26 HB2 MET 26 0.255 -4.472 4.978 186 HB3 MET 26 HB3 MET 26 -0.002 -3.576 3.490 187 HG2 MET 26 HG2 MET 26 -1.762 -2.260 4.595 188 HG3 MET 26 HG3 MET 26 -1.464 -3.144 6.092 189 HE1 MET 26 HE1 MET 26 1.427 -2.078 3.589 190 HE2 MET 26 HE2 MET 26 1.744 -0.436 4.145 191 HE3 MET 26 HE3 MET 26 0.208 -0.822 3.372 192 H CYS 27 H CYS 27 -1.848 -3.766 1.693 193 HA CYS 27 HA CYS 27 -4.057 -2.132 2.578 194 HB2 CYS 27 HB2 CYS 27 -2.738 -2.257 -0.156 195 HB3 CYS 27 HB3 CYS 27 -3.864 -1.010 0.415 196 H SER 28 H SER 28 -3.723 -4.950 0.502 197 HA SER 28 HA SER 28 -6.128 -4.605 -0.884 198 HB2 SER 28 HB2 SER 28 -4.701 -7.199 -0.333 199 HB3 SER 28 HB3 SER 28 -5.927 -6.915 -1.580 200 HG SER 28 HG SER 28 -4.423 -5.156 -2.270 201 HA PRO 29 HA PRO 29 -8.197 -7.476 2.589 202 HB2 PRO 29 HB2 PRO 29 -6.523 -6.342 4.789 203 HB3 PRO 29 HB3 PRO 29 -7.297 -7.938 4.673 204 HG2 PRO 29 HG2 PRO 29 -4.695 -7.735 4.246 205 HG3 PRO 29 HG3 PRO 29 -5.690 -8.751 3.174 206 HD2 PRO 29 HD2 PRO 29 -4.562 -6.009 2.682 207 HD3 PRO 29 HD3 PRO 29 -4.708 -7.390 1.568 208 H LEU 30 H LEU 30 -6.835 -4.277 3.079 209 HA LEU 30 HA LEU 30 -8.974 -3.107 4.521 210 HB2 LEU 30 HB2 LEU 30 -6.607 -2.204 4.196 211 HB3 LEU 30 HB3 LEU 30 -7.101 -1.741 2.560 212 HG LEU 30 HG LEU 30 -8.230 -0.625 5.153 213 HD11 LEU 30 HD11 LEU 30 -7.084 1.436 4.431 214 HD12 LEU 30 HD12 LEU 30 -6.389 0.557 3.067 215 HD13 LEU 30 HD13 LEU 30 -5.953 0.112 4.719 216 HD21 LEU 30 HD21 LEU 30 -8.759 0.265 2.311 217 HD22 LEU 30 HD22 LEU 30 -9.430 0.963 3.786 218 HD23 LEU 30 HD23 LEU 30 -9.882 -0.672 3.298 219 H GLU 31 H GLU 31 -8.158 -3.242 1.111 220 HA GLU 31 HA GLU 31 -10.379 -1.664 0.272 221 HB2 GLU 31 HB2 GLU 31 -8.098 -1.873 -0.858 222 HB3 GLU 31 HB3 GLU 31 -8.658 -3.433 -1.472 223 HG2 GLU 31 HG2 GLU 31 -10.269 -0.962 -2.001 224 HG3 GLU 31 HG3 GLU 31 -8.824 -1.309 -2.962 225 H ARG 32 H ARG 32 -9.626 -5.139 0.053 226 HA ARG 32 HA ARG 32 -12.521 -5.674 0.017 227 HB2 ARG 32 HB2 ARG 32 -10.504 -7.144 -1.719 228 HB3 ARG 32 HB3 ARG 32 -12.210 -7.557 -1.564 229 HG2 ARG 32 HG2 ARG 32 -11.082 -5.032 -2.808 230 HG3 ARG 32 HG3 ARG 32 -11.750 -6.408 -3.680 231 HD2 ARG 32 HD2 ARG 32 -13.156 -4.318 -2.056 232 HD3 ARG 32 HD3 ARG 32 -13.479 -4.871 -3.692 233 HE ARG 32 HE ARG 32 -13.921 -6.933 -1.766 234 HH11 ARG 32 HH11 ARG 32 -15.325 -4.105 -3.263 235 HH12 ARG 32 HH12 ARG 32 -16.958 -4.574 -2.923 236 HH21 ARG 32 HH21 ARG 32 -16.068 -7.561 -1.314 237 HH22 ARG 32 HH22 ARG 32 -17.381 -6.550 -1.821 238 H SER 33 H SER 33 -13.133 -7.470 1.202 239 HA SER 33 HA SER 33 -11.154 -9.340 2.164 240 HB2 SER 33 HB2 SER 33 -10.937 -7.333 3.704 241 HB3 SER 33 HB3 SER 33 -12.595 -7.636 4.217 242 HG SER 33 HG SER 33 -10.953 -9.848 4.313 Start of MODEL 20 1 HA ALA 1 HA ALA 1 -15.767 1.102 -1.244 2 HB1 ALA 1 HB1 ALA 1 -17.911 2.398 0.433 3 HB2 ALA 1 HB2 ALA 1 -18.188 1.450 -1.026 4 HB3 ALA 1 HB3 ALA 1 -17.305 2.974 -1.121 5 H SER 2 H SER 2 -13.720 1.613 -0.725 6 HA SER 2 HA SER 2 -13.336 3.902 1.044 7 HB2 SER 2 HB2 SER 2 -11.789 1.298 1.379 8 HB3 SER 2 HB3 SER 2 -11.429 2.801 2.222 9 HG SER 2 HG SER 2 -13.943 2.425 2.680 10 HA PRO 3 HA PRO 3 -11.259 3.389 -3.202 11 HB2 PRO 3 HB2 PRO 3 -12.126 6.196 -3.570 12 HB3 PRO 3 HB3 PRO 3 -12.314 4.798 -4.651 13 HG2 PRO 3 HG2 PRO 3 -14.396 5.810 -3.313 14 HG3 PRO 3 HG3 PRO 3 -14.222 4.068 -3.600 15 HD2 PRO 3 HD2 PRO 3 -13.711 5.614 -1.067 16 HD3 PRO 3 HD3 PRO 3 -14.418 3.985 -1.290 17 H GLN 4 H GLN 4 -11.203 6.698 -1.865 18 HA GLN 4 HA GLN 4 -8.603 7.212 -2.781 19 HB2 GLN 4 HB2 GLN 4 -10.187 9.002 -2.307 20 HB3 GLN 4 HB3 GLN 4 -10.204 8.570 -0.603 21 HG2 GLN 4 HG2 GLN 4 -7.832 9.174 -0.434 22 HG3 GLN 4 HG3 GLN 4 -7.835 9.644 -2.132 23 HE21 GLN 4 HE21 GLN 4 -10.518 10.221 0.037 24 HE22 GLN 4 HE22 GLN 4 -10.353 11.944 0.084 25 H GLN 5 H GLN 5 -9.803 6.044 0.310 26 HA GLN 5 HA GLN 5 -7.367 6.272 1.721 27 HB2 GLN 5 HB2 GLN 5 -9.711 4.427 2.146 28 HB3 GLN 5 HB3 GLN 5 -8.342 4.511 3.238 29 HG2 GLN 5 HG2 GLN 5 -8.840 6.877 3.674 30 HG3 GLN 5 HG3 GLN 5 -10.230 6.776 2.595 31 HE21 GLN 5 HE21 GLN 5 -9.256 4.199 4.761 32 HE22 GLN 5 HE22 GLN 5 -10.620 4.323 5.821 33 H ALA 6 H ALA 6 -8.781 3.638 -0.159 34 HA ALA 6 HA ALA 6 -6.703 1.776 0.266 35 HB1 ALA 6 HB1 ALA 6 -8.853 1.082 -0.641 36 HB2 ALA 6 HB2 ALA 6 -7.554 0.651 -1.755 37 HB3 ALA 6 HB3 ALA 6 -8.573 2.048 -2.092 38 H LYS 7 H LYS 7 -7.200 4.295 -2.159 39 HA LYS 7 HA LYS 7 -4.936 3.675 -3.743 40 HB2 LYS 7 HB2 LYS 7 -6.388 6.306 -3.381 41 HB3 LYS 7 HB3 LYS 7 -5.184 5.998 -4.620 42 HG2 LYS 7 HG2 LYS 7 -7.852 4.623 -4.317 43 HG3 LYS 7 HG3 LYS 7 -7.399 5.831 -5.549 44 HD2 LYS 7 HD2 LYS 7 -5.710 4.281 -6.445 45 HD3 LYS 7 HD3 LYS 7 -6.132 3.091 -5.209 46 HE2 LYS 7 HE2 LYS 7 -7.928 4.115 -7.413 47 HE3 LYS 7 HE3 LYS 7 -7.218 2.503 -7.304 48 HZ1 LYS 7 HZ1 LYS 7 -8.495 2.159 -5.252 49 HZ2 LYS 7 HZ2 LYS 7 -9.493 2.448 -6.583 50 HZ3 LYS 7 HZ3 LYS 7 -9.225 3.673 -5.452 51 H TYR 8 H TYR 8 -5.413 5.732 -0.939 52 HA TYR 8 HA TYR 8 -2.854 6.907 -0.868 53 HB2 TYR 8 HB2 TYR 8 -4.854 7.672 0.437 54 HB3 TYR 8 HB3 TYR 8 -4.653 6.260 1.474 55 HD1 TYR 8 HD1 TYR 8 -3.175 6.305 3.298 56 HD2 TYR 8 HD2 TYR 8 -2.990 9.375 0.360 57 HE1 TYR 8 HE1 TYR 8 -1.654 7.585 4.744 58 HE2 TYR 8 HE2 TYR 8 -1.468 10.664 1.794 59 HH TYR 8 HH TYR 8 0.097 9.352 4.469 60 H CYS 9 H CYS 9 -4.159 3.938 0.524 61 HA CYS 9 HA CYS 9 -1.875 3.194 1.996 62 HB2 CYS 9 HB2 CYS 9 -4.160 2.186 2.264 63 HB3 CYS 9 HB3 CYS 9 -3.916 1.325 0.739 64 H TYR 10 H TYR 10 -2.947 2.227 -1.271 65 HA TYR 10 HA TYR 10 -0.659 0.650 -1.822 66 HB2 TYR 10 HB2 TYR 10 -2.742 1.925 -3.606 67 HB3 TYR 10 HB3 TYR 10 -1.384 1.008 -4.263 68 HD1 TYR 10 HD1 TYR 10 -4.671 0.823 -2.831 69 HD2 TYR 10 HD2 TYR 10 -1.123 -1.410 -3.555 70 HE1 TYR 10 HE1 TYR 10 -5.930 -1.261 -2.556 71 HE2 TYR 10 HE2 TYR 10 -2.376 -3.505 -3.277 72 HH TYR 10 HH TYR 10 -5.777 -3.609 -3.222 73 H GLU 11 H GLU 11 -1.257 4.072 -2.041 74 HA GLU 11 HA GLU 11 1.007 4.612 -3.686 75 HB2 GLU 11 HB2 GLU 11 -0.876 6.199 -3.533 76 HB3 GLU 11 HB3 GLU 11 -0.503 6.477 -1.820 77 HG2 GLU 11 HG2 GLU 11 1.749 7.296 -2.543 78 HG3 GLU 11 HG3 GLU 11 1.163 7.209 -4.220 79 H GLN 12 H GLN 12 0.406 4.953 -0.167 80 HA GLN 12 HA GLN 12 3.039 5.966 0.249 81 HB2 GLN 12 HB2 GLN 12 0.940 5.088 2.240 82 HB3 GLN 12 HB3 GLN 12 2.442 5.889 2.651 83 HG2 GLN 12 HG2 GLN 12 0.610 7.151 0.688 84 HG3 GLN 12 HG3 GLN 12 0.247 7.238 2.403 85 HE21 GLN 12 HE21 GLN 12 3.521 7.178 1.241 86 HE22 GLN 12 HE22 GLN 12 3.891 8.828 1.610 87 H CYS 13 H CYS 13 1.688 2.790 0.195 88 HA CYS 13 HA CYS 13 3.399 1.513 2.013 89 HB2 CYS 13 HB2 CYS 13 2.819 -0.568 0.864 90 HB3 CYS 13 HB3 CYS 13 1.376 0.444 1.004 91 H ASN 14 H ASN 14 3.764 1.882 -1.527 92 HA ASN 14 HA ASN 14 6.458 0.863 -1.409 93 HB2 ASN 14 HB2 ASN 14 6.560 1.275 -3.799 94 HB3 ASN 14 HB3 ASN 14 5.044 0.483 -3.406 95 HD21 ASN 14 HD21 ASN 14 3.072 1.746 -3.558 96 HD22 ASN 14 HD22 ASN 14 3.055 3.224 -4.459 97 H VAL 15 H VAL 15 4.981 4.030 -1.365 98 HA VAL 15 HA VAL 15 7.271 5.542 -2.000 99 HB VAL 15 HB VAL 15 4.878 6.288 -0.311 100 HG11 VAL 15 HG11 VAL 15 5.611 8.631 -0.606 101 HG12 VAL 15 HG12 VAL 15 7.105 8.050 -1.338 102 HG13 VAL 15 HG13 VAL 15 6.752 7.684 0.350 103 HG21 VAL 15 HG21 VAL 15 4.369 5.863 -2.668 104 HG22 VAL 15 HG22 VAL 15 5.630 6.999 -3.151 105 HG23 VAL 15 HG23 VAL 15 4.205 7.578 -2.287 106 H ASN 16 H ASN 16 6.136 4.120 1.029 107 HA ASN 16 HA ASN 16 8.218 5.373 2.576 108 HB2 ASN 16 HB2 ASN 16 6.430 3.006 3.229 109 HB3 ASN 16 HB3 ASN 16 7.548 3.772 4.364 110 HD21 ASN 16 HD21 ASN 16 6.961 6.448 3.240 111 HD22 ASN 16 HD22 ASN 16 5.411 6.874 3.886 112 H LYS 17 H LYS 17 7.681 1.874 2.272 113 HA LYS 17 HA LYS 17 9.760 1.277 0.581 114 HB2 LYS 17 HB2 LYS 17 11.213 2.164 2.427 115 HB3 LYS 17 HB3 LYS 17 10.600 0.868 3.463 116 HG2 LYS 17 HG2 LYS 17 12.589 -0.031 2.761 117 HG3 LYS 17 HG3 LYS 17 11.480 -0.694 1.556 118 HD2 LYS 17 HD2 LYS 17 12.142 1.145 -0.020 119 HD3 LYS 17 HD3 LYS 17 13.259 1.748 1.222 120 HE2 LYS 17 HE2 LYS 17 14.495 -0.347 1.141 121 HE3 LYS 17 HE3 LYS 17 13.378 -0.976 -0.069 122 HZ1 LYS 17 HZ1 LYS 17 15.197 1.350 -0.386 123 HZ2 LYS 17 HZ2 LYS 17 14.065 0.852 -1.537 124 HZ3 LYS 17 HZ3 LYS 17 15.353 -0.160 -1.131 125 H VAL 18 H VAL 18 7.946 -0.171 -0.007 126 HA VAL 18 HA VAL 18 8.324 -2.710 1.375 127 HB VAL 18 HB VAL 18 6.105 -3.248 1.810 128 HG11 VAL 18 HG11 VAL 18 6.835 -1.537 3.385 129 HG12 VAL 18 HG12 VAL 18 5.094 -1.472 3.118 130 HG13 VAL 18 HG13 VAL 18 6.147 -0.281 2.354 131 HG21 VAL 18 HG21 VAL 18 5.191 -0.982 0.049 132 HG22 VAL 18 HG22 VAL 18 4.150 -2.132 0.895 133 HG23 VAL 18 HG23 VAL 18 5.234 -2.692 -0.381 134 HA PRO 19 HA PRO 19 8.095 -4.231 -2.855 135 HB2 PRO 19 HB2 PRO 19 7.313 -6.785 -1.611 136 HB3 PRO 19 HB3 PRO 19 8.715 -6.422 -2.633 137 HG2 PRO 19 HG2 PRO 19 8.985 -6.899 -0.003 138 HG3 PRO 19 HG3 PRO 19 10.008 -5.730 -0.859 139 HD2 PRO 19 HD2 PRO 19 7.641 -5.218 0.916 140 HD3 PRO 19 HD3 PRO 19 9.186 -4.340 0.788 141 H PHE 20 H PHE 20 6.416 -4.980 -4.310 142 HA PHE 20 HA PHE 20 3.874 -3.996 -3.778 143 HB2 PHE 20 HB2 PHE 20 4.728 -4.479 -6.062 144 HB3 PHE 20 HB3 PHE 20 4.538 -6.199 -5.746 145 HD1 PHE 20 HD1 PHE 20 2.396 -7.252 -5.826 146 HD2 PHE 20 HD2 PHE 20 2.753 -3.032 -6.248 147 HE1 PHE 20 HE1 PHE 20 0.064 -7.136 -6.599 148 HE2 PHE 20 HE2 PHE 20 0.419 -2.910 -7.020 149 HZ PHE 20 HZ PHE 20 -0.927 -4.965 -7.196 150 H ASP 21 H ASP 21 5.046 -7.333 -3.472 151 HA ASP 21 HA ASP 21 2.627 -8.561 -2.840 152 HB2 ASP 21 HB2 ASP 21 4.018 -10.284 -1.667 153 HB3 ASP 21 HB3 ASP 21 4.529 -9.938 -3.316 154 H GLN 22 H GLN 22 4.900 -6.859 -0.735 155 HA GLN 22 HA GLN 22 3.524 -7.380 1.685 156 HB2 GLN 22 HB2 GLN 22 5.844 -6.625 1.657 157 HB3 GLN 22 HB3 GLN 22 5.353 -5.088 0.955 158 HG2 GLN 22 HG2 GLN 22 5.747 -4.816 3.306 159 HG3 GLN 22 HG3 GLN 22 4.020 -4.623 2.968 160 HE21 GLN 22 HE21 GLN 22 2.582 -6.163 3.684 161 HE22 GLN 22 HE22 GLN 22 3.003 -7.358 4.866 162 H CYS 23 H CYS 23 3.314 -4.805 -0.721 163 HA CYS 23 HA CYS 23 1.511 -3.154 0.717 164 HB2 CYS 23 HB2 CYS 23 2.823 -2.496 -1.386 165 HB3 CYS 23 HB3 CYS 23 1.596 -3.373 -2.303 166 H TYR 24 H TYR 24 1.025 -5.783 -1.581 167 HA TYR 24 HA TYR 24 -1.774 -5.724 -1.698 168 HB2 TYR 24 HB2 TYR 24 -0.393 -7.048 -3.247 169 HB3 TYR 24 HB3 TYR 24 0.110 -8.098 -1.911 170 HD1 TYR 24 HD1 TYR 24 -1.272 -9.877 -1.164 171 HD2 TYR 24 HD2 TYR 24 -2.741 -7.101 -4.024 172 HE1 TYR 24 HE1 TYR 24 -3.194 -11.341 -1.589 173 HE2 TYR 24 HE2 TYR 24 -4.664 -8.561 -4.461 174 HH TYR 24 HH TYR 24 -5.270 -10.928 -4.249 175 H GLN 25 H GLN 25 0.399 -6.970 0.740 176 HA GLN 25 HA GLN 25 -1.535 -8.705 1.937 177 HB2 GLN 25 HB2 GLN 25 1.184 -7.733 2.781 178 HB3 GLN 25 HB3 GLN 25 0.156 -8.615 3.906 179 HG2 GLN 25 HG2 GLN 25 1.057 -9.654 1.210 180 HG3 GLN 25 HG3 GLN 25 1.756 -10.092 2.767 181 HE21 GLN 25 HE21 GLN 25 0.428 -11.733 0.733 182 HE22 GLN 25 HE22 GLN 25 -0.871 -12.529 1.556 183 H MET 26 H MET 26 -0.558 -5.367 2.471 184 HA MET 26 HA MET 26 -2.248 -5.226 4.840 185 HB2 MET 26 HB2 MET 26 -0.543 -3.134 3.498 186 HB3 MET 26 HB3 MET 26 -1.475 -2.856 4.957 187 HG2 MET 26 HG2 MET 26 -0.122 -4.566 6.115 188 HG3 MET 26 HG3 MET 26 0.837 -4.773 4.648 189 HE1 MET 26 HE1 MET 26 2.366 -1.106 4.335 190 HE2 MET 26 HE2 MET 26 0.816 -1.626 3.682 191 HE3 MET 26 HE3 MET 26 2.228 -2.675 3.544 192 H CYS 27 H CYS 27 -2.102 -3.694 1.624 193 HA CYS 27 HA CYS 27 -4.346 -2.022 2.286 194 HB2 CYS 27 HB2 CYS 27 -2.966 -2.352 -0.395 195 HB3 CYS 27 HB3 CYS 27 -4.033 -1.025 0.103 196 H SER 28 H SER 28 -3.936 -4.993 0.422 197 HA SER 28 HA SER 28 -6.375 -4.745 -0.965 198 HB2 SER 28 HB2 SER 28 -4.850 -7.281 -0.381 199 HB3 SER 28 HB3 SER 28 -6.120 -7.073 -1.596 200 HG SER 28 HG SER 28 -4.505 -5.163 -2.136 201 HA PRO 29 HA PRO 29 -8.313 -7.542 2.586 202 HB2 PRO 29 HB2 PRO 29 -6.506 -6.594 4.762 203 HB3 PRO 29 HB3 PRO 29 -7.319 -8.163 4.578 204 HG2 PRO 29 HG2 PRO 29 -4.729 -7.981 4.065 205 HG3 PRO 29 HG3 PRO 29 -5.788 -8.917 2.977 206 HD2 PRO 29 HD2 PRO 29 -4.646 -6.156 2.602 207 HD3 PRO 29 HD3 PRO 29 -4.820 -7.478 1.424 208 H LEU 30 H LEU 30 -6.803 -4.422 3.029 209 HA LEU 30 HA LEU 30 -8.736 -3.190 4.679 210 HB2 LEU 30 HB2 LEU 30 -6.381 -2.355 4.045 211 HB3 LEU 30 HB3 LEU 30 -7.107 -1.829 2.519 212 HG LEU 30 HG LEU 30 -7.690 -0.761 5.303 213 HD11 LEU 30 HD11 LEU 30 -5.609 0.012 4.278 214 HD12 LEU 30 HD12 LEU 30 -6.793 1.317 4.373 215 HD13 LEU 30 HD13 LEU 30 -6.496 0.506 2.833 216 HD21 LEU 30 HD21 LEU 30 -9.770 -0.817 3.992 217 HD22 LEU 30 HD22 LEU 30 -8.967 0.054 2.684 218 HD23 LEU 30 HD23 LEU 30 -9.203 0.836 4.248 219 H GLU 31 H GLU 31 -8.197 -2.981 1.197 220 HA GLU 31 HA GLU 31 -10.518 -1.524 0.599 221 HB2 GLU 31 HB2 GLU 31 -8.574 -1.672 -0.915 222 HB3 GLU 31 HB3 GLU 31 -8.934 -3.379 -1.203 223 HG2 GLU 31 HG2 GLU 31 -11.137 -2.682 -2.140 224 HG3 GLU 31 HG3 GLU 31 -10.610 -1.000 -2.003 225 H ARG 32 H ARG 32 -9.869 -5.005 0.198 226 HA ARG 32 HA ARG 32 -12.625 -5.615 0.773 227 HB2 ARG 32 HB2 ARG 32 -12.887 -5.078 -1.575 228 HB3 ARG 32 HB3 ARG 32 -11.472 -6.047 -1.996 229 HG2 ARG 32 HG2 ARG 32 -13.432 -7.274 -2.645 230 HG3 ARG 32 HG3 ARG 32 -12.704 -8.087 -1.262 231 HD2 ARG 32 HD2 ARG 32 -15.228 -7.859 -1.262 232 HD3 ARG 32 HD3 ARG 32 -14.399 -7.345 0.202 233 HE ARG 32 HE ARG 32 -14.868 -5.222 -1.694 234 HH11 ARG 32 HH11 ARG 32 -16.217 -7.026 0.991 235 HH12 ARG 32 HH12 ARG 32 -17.329 -5.771 1.434 236 HH21 ARG 32 HH21 ARG 32 -16.330 -3.583 -1.117 237 HH22 ARG 32 HH22 ARG 32 -17.393 -3.814 0.237 238 H SER 33 H SER 33 -12.477 -7.294 2.087 239 HA SER 33 HA SER 33 -10.609 -9.460 1.390 240 HB2 SER 33 HB2 SER 33 -9.939 -7.976 3.438 241 HB3 SER 33 HB3 SER 33 -11.241 -8.825 4.268 242 HG SER 33 HG SER 33 -9.617 -10.158 4.639 Start of MODEL 21 1 HA ALA 1 HA ALA 1 -16.279 0.124 1.252 2 HB1 ALA 1 HB1 ALA 1 -15.163 -2.007 0.800 3 HB2 ALA 1 HB2 ALA 1 -14.500 -1.215 2.228 4 HB3 ALA 1 HB3 ALA 1 -13.613 -1.173 0.707 5 H SER 2 H SER 2 -13.052 0.986 -0.051 6 HA SER 2 HA SER 2 -13.153 3.519 1.364 7 HB2 SER 2 HB2 SER 2 -12.331 1.723 3.037 8 HB3 SER 2 HB3 SER 2 -10.874 1.642 2.045 9 HG SER 2 HG SER 2 -11.900 3.913 3.399 10 HA PRO 3 HA PRO 3 -10.912 3.052 -2.836 11 HB2 PRO 3 HB2 PRO 3 -12.408 5.625 -3.127 12 HB3 PRO 3 HB3 PRO 3 -12.101 4.350 -4.331 13 HG2 PRO 3 HG2 PRO 3 -14.479 4.531 -3.208 14 HG3 PRO 3 HG3 PRO 3 -13.718 2.939 -3.429 15 HD2 PRO 3 HD2 PRO 3 -13.971 4.561 -0.900 16 HD3 PRO 3 HD3 PRO 3 -14.108 2.795 -1.141 17 H GLN 4 H GLN 4 -11.387 5.990 -0.854 18 HA GLN 4 HA GLN 4 -9.115 7.303 -1.974 19 HB2 GLN 4 HB2 GLN 4 -10.725 7.908 0.507 20 HB3 GLN 4 HB3 GLN 4 -9.403 8.915 -0.064 21 HG2 GLN 4 HG2 GLN 4 -11.951 8.325 -1.572 22 HG3 GLN 4 HG3 GLN 4 -11.557 9.833 -0.748 23 HE21 GLN 4 HE21 GLN 4 -12.183 9.402 -3.555 24 HE22 GLN 4 HE22 GLN 4 -10.808 9.956 -4.452 25 H GLN 5 H GLN 5 -9.690 5.665 1.109 26 HA GLN 5 HA GLN 5 -7.047 6.103 2.055 27 HB2 GLN 5 HB2 GLN 5 -9.177 4.168 2.943 28 HB3 GLN 5 HB3 GLN 5 -7.617 4.308 3.736 29 HG2 GLN 5 HG2 GLN 5 -8.098 6.678 4.224 30 HG3 GLN 5 HG3 GLN 5 -9.689 6.491 3.491 31 HE21 GLN 5 HE21 GLN 5 -10.011 3.772 4.543 32 HE22 GLN 5 HE22 GLN 5 -10.338 3.958 6.235 33 H ALA 6 H ALA 6 -8.608 3.499 0.299 34 HA ALA 6 HA ALA 6 -6.482 1.655 0.382 35 HB1 ALA 6 HB1 ALA 6 -8.684 0.988 -0.386 36 HB2 ALA 6 HB2 ALA 6 -7.485 0.676 -1.643 37 HB3 ALA 6 HB3 ALA 6 -8.551 2.069 -1.772 38 H LYS 7 H LYS 7 -7.237 4.300 -1.843 39 HA LYS 7 HA LYS 7 -5.099 3.836 -3.625 40 HB2 LYS 7 HB2 LYS 7 -7.065 5.279 -4.136 41 HB3 LYS 7 HB3 LYS 7 -6.464 6.465 -2.990 42 HG2 LYS 7 HG2 LYS 7 -5.948 7.112 -5.271 43 HG3 LYS 7 HG3 LYS 7 -4.459 6.797 -4.342 44 HD2 LYS 7 HD2 LYS 7 -4.249 4.600 -5.376 45 HD3 LYS 7 HD3 LYS 7 -5.783 4.817 -6.226 46 HE2 LYS 7 HE2 LYS 7 -3.856 5.224 -7.710 47 HE3 LYS 7 HE3 LYS 7 -4.835 6.675 -7.493 48 HZ1 LYS 7 HZ1 LYS 7 -2.277 6.075 -6.111 49 HZ2 LYS 7 HZ2 LYS 7 -3.220 7.455 -5.854 50 HZ3 LYS 7 HZ3 LYS 7 -2.499 7.196 -7.360 51 H TYR 8 H TYR 8 -5.372 5.702 -0.647 52 HA TYR 8 HA TYR 8 -2.796 6.876 -0.751 53 HB2 TYR 8 HB2 TYR 8 -4.640 7.644 0.763 54 HB3 TYR 8 HB3 TYR 8 -4.407 6.175 1.713 55 HD1 TYR 8 HD1 TYR 8 -2.923 9.400 0.769 56 HD2 TYR 8 HD2 TYR 8 -2.553 5.943 3.217 57 HE1 TYR 8 HE1 TYR 8 -1.198 10.536 2.101 58 HE2 TYR 8 HE2 TYR 8 -0.824 7.066 4.558 59 HH TYR 8 HH TYR 8 -0.217 10.401 4.348 60 H CYS 9 H CYS 9 -4.046 3.851 0.525 61 HA CYS 9 HA CYS 9 -1.706 3.038 1.870 62 HB2 CYS 9 HB2 CYS 9 -4.011 2.059 2.182 63 HB3 CYS 9 HB3 CYS 9 -3.787 1.199 0.652 64 H TYR 10 H TYR 10 -2.948 2.108 -1.358 65 HA TYR 10 HA TYR 10 -0.664 0.569 -2.023 66 HB2 TYR 10 HB2 TYR 10 -2.846 1.811 -3.711 67 HB3 TYR 10 HB3 TYR 10 -1.505 0.913 -4.426 68 HD1 TYR 10 HD1 TYR 10 -1.190 -1.499 -3.779 69 HD2 TYR 10 HD2 TYR 10 -4.710 0.686 -2.799 70 HE1 TYR 10 HE1 TYR 10 -2.401 -3.613 -3.454 71 HE2 TYR 10 HE2 TYR 10 -5.926 -1.418 -2.467 72 HH TYR 10 HH TYR 10 -5.795 -3.753 -3.175 73 H GLU 11 H GLU 11 -1.398 3.976 -2.329 74 HA GLU 11 HA GLU 11 0.711 4.610 -4.105 75 HB2 GLU 11 HB2 GLU 11 -1.302 6.072 -3.555 76 HB3 GLU 11 HB3 GLU 11 -0.482 6.437 -2.022 77 HG2 GLU 11 HG2 GLU 11 1.374 7.425 -3.198 78 HG3 GLU 11 HG3 GLU 11 0.638 7.008 -4.764 79 H GLN 12 H GLN 12 0.401 5.091 -0.584 80 HA GLN 12 HA GLN 12 3.113 5.968 -0.425 81 HB2 GLN 12 HB2 GLN 12 1.027 5.449 1.688 82 HB3 GLN 12 HB3 GLN 12 2.625 6.089 2.035 83 HG2 GLN 12 HG2 GLN 12 0.944 7.437 -0.008 84 HG3 GLN 12 HG3 GLN 12 0.575 7.668 1.695 85 HE21 GLN 12 HE21 GLN 12 3.832 7.142 0.594 86 HE22 GLN 12 HE22 GLN 12 4.398 8.749 0.893 87 H CYS 13 H CYS 13 1.629 2.863 -0.169 88 HA CYS 13 HA CYS 13 3.188 1.684 1.817 89 HB2 CYS 13 HB2 CYS 13 2.639 -0.479 0.795 90 HB3 CYS 13 HB3 CYS 13 1.219 0.572 0.795 91 H ASN 14 H ASN 14 3.827 1.484 -1.709 92 HA ASN 14 HA ASN 14 6.458 0.487 -1.235 93 HB2 ASN 14 HB2 ASN 14 6.835 0.559 -3.588 94 HB3 ASN 14 HB3 ASN 14 5.185 0.021 -3.344 95 HD21 ASN 14 HD21 ASN 14 3.997 2.614 -2.927 96 HD22 ASN 14 HD22 ASN 14 4.083 3.455 -4.433 97 H VAL 15 H VAL 15 5.157 3.690 -1.562 98 HA VAL 15 HA VAL 15 7.568 5.035 -2.142 99 HB VAL 15 HB VAL 15 5.074 6.042 -0.764 100 HG11 VAL 15 HG11 VAL 15 5.930 8.304 -1.218 101 HG12 VAL 15 HG12 VAL 15 7.438 7.606 -1.807 102 HG13 VAL 15 HG13 VAL 15 6.983 7.417 -0.114 103 HG21 VAL 15 HG21 VAL 15 4.731 5.371 -3.091 104 HG22 VAL 15 HG22 VAL 15 6.082 6.387 -3.593 105 HG23 VAL 15 HG23 VAL 15 4.626 7.124 -2.924 106 H ASN 16 H ASN 16 5.930 4.264 0.924 107 HA ASN 16 HA ASN 16 7.855 5.472 2.610 108 HB2 ASN 16 HB2 ASN 16 6.067 3.077 3.173 109 HB3 ASN 16 HB3 ASN 16 6.948 4.009 4.386 110 HD21 ASN 16 HD21 ASN 16 6.386 6.563 3.051 111 HD22 ASN 16 HD22 ASN 16 4.724 6.903 3.396 112 H LYS 17 H LYS 17 7.368 1.958 2.447 113 HA LYS 17 HA LYS 17 9.539 1.319 0.888 114 HB2 LYS 17 HB2 LYS 17 10.953 2.195 2.711 115 HB3 LYS 17 HB3 LYS 17 10.216 1.031 3.822 116 HG2 LYS 17 HG2 LYS 17 11.145 -0.823 2.586 117 HG3 LYS 17 HG3 LYS 17 11.767 0.269 1.345 118 HD2 LYS 17 HD2 LYS 17 13.313 1.268 2.868 119 HD3 LYS 17 HD3 LYS 17 12.604 0.418 4.257 120 HE2 LYS 17 HE2 LYS 17 13.323 -1.724 3.276 121 HE3 LYS 17 HE3 LYS 17 14.027 -0.861 1.910 122 HZ1 LYS 17 HZ1 LYS 17 14.866 -0.628 4.746 123 HZ2 LYS 17 HZ2 LYS 17 15.513 0.271 3.469 124 HZ3 LYS 17 HZ3 LYS 17 15.720 -1.406 3.512 125 H VAL 18 H VAL 18 7.705 -0.081 0.243 126 HA VAL 18 HA VAL 18 8.064 -2.632 1.602 127 HB VAL 18 HB VAL 18 5.851 -3.204 1.963 128 HG11 VAL 18 HG11 VAL 18 5.743 -0.225 2.435 129 HG12 VAL 18 HG12 VAL 18 6.461 -1.417 3.520 130 HG13 VAL 18 HG13 VAL 18 4.727 -1.451 3.197 131 HG21 VAL 18 HG21 VAL 18 5.050 -2.747 -0.260 132 HG22 VAL 18 HG22 VAL 18 4.974 -1.017 0.089 133 HG23 VAL 18 HG23 VAL 18 3.907 -2.139 0.941 134 HA PRO 19 HA PRO 19 8.094 -4.073 -2.666 135 HB2 PRO 19 HB2 PRO 19 7.401 -6.679 -1.483 136 HB3 PRO 19 HB3 PRO 19 8.821 -6.225 -2.443 137 HG2 PRO 19 HG2 PRO 19 9.010 -6.733 0.189 138 HG3 PRO 19 HG3 PRO 19 10.008 -5.502 -0.611 139 HD2 PRO 19 HD2 PRO 19 7.553 -5.133 1.077 140 HD3 PRO 19 HD3 PRO 19 9.055 -4.178 1.017 141 H PHE 20 H PHE 20 6.485 -4.927 -4.191 142 HA PHE 20 HA PHE 20 3.933 -3.936 -3.702 143 HB2 PHE 20 HB2 PHE 20 4.877 -4.418 -5.976 144 HB3 PHE 20 HB3 PHE 20 4.541 -6.124 -5.699 145 HD1 PHE 20 HD1 PHE 20 3.057 -2.817 -6.219 146 HD2 PHE 20 HD2 PHE 20 2.296 -6.981 -5.787 147 HE1 PHE 20 HE1 PHE 20 0.754 -2.474 -7.015 148 HE2 PHE 20 HE2 PHE 20 -0.009 -6.644 -6.586 149 HZ PHE 20 HZ PHE 20 -0.781 -4.390 -7.201 150 H ASP 21 H ASP 21 5.082 -7.281 -3.389 151 HA ASP 21 HA ASP 21 2.585 -8.470 -2.908 152 HB2 ASP 21 HB2 ASP 21 3.772 -10.359 -2.024 153 HB3 ASP 21 HB3 ASP 21 4.706 -9.727 -3.374 154 H GLN 22 H GLN 22 4.889 -6.950 -0.693 155 HA GLN 22 HA GLN 22 3.464 -7.473 1.696 156 HB2 GLN 22 HB2 GLN 22 5.794 -6.763 1.724 157 HB3 GLN 22 HB3 GLN 22 5.358 -5.218 1.000 158 HG2 GLN 22 HG2 GLN 22 5.690 -4.845 3.305 159 HG3 GLN 22 HG3 GLN 22 3.946 -4.773 3.010 160 HE21 GLN 22 HE21 GLN 22 3.431 -5.224 5.124 161 HE22 GLN 22 HE22 GLN 22 3.649 -6.795 5.823 162 H CYS 23 H CYS 23 3.330 -4.863 -0.679 163 HA CYS 23 HA CYS 23 1.505 -3.203 0.719 164 HB2 CYS 23 HB2 CYS 23 2.840 -2.526 -1.343 165 HB3 CYS 23 HB3 CYS 23 1.690 -3.463 -2.300 166 H TYR 24 H TYR 24 1.056 -5.827 -1.594 167 HA TYR 24 HA TYR 24 -1.757 -5.753 -1.696 168 HB2 TYR 24 HB2 TYR 24 -0.183 -6.996 -3.258 169 HB3 TYR 24 HB3 TYR 24 -0.029 -8.225 -1.991 170 HD1 TYR 24 HD1 TYR 24 -2.073 -6.926 -4.672 171 HD2 TYR 24 HD2 TYR 24 -2.034 -9.531 -1.318 172 HE1 TYR 24 HE1 TYR 24 -4.077 -8.058 -5.533 173 HE2 TYR 24 HE2 TYR 24 -4.037 -10.662 -2.161 174 HH TYR 24 HH TYR 24 -5.920 -10.209 -3.638 175 H GLN 25 H GLN 25 0.464 -7.021 0.668 176 HA GLN 25 HA GLN 25 -1.357 -8.848 1.900 177 HB2 GLN 25 HB2 GLN 25 1.168 -7.528 2.937 178 HB3 GLN 25 HB3 GLN 25 0.239 -8.677 3.882 179 HG2 GLN 25 HG2 GLN 25 0.671 -10.412 2.174 180 HG3 GLN 25 HG3 GLN 25 1.635 -9.258 1.255 181 HE21 GLN 25 HE21 GLN 25 3.481 -10.492 1.431 182 HE22 GLN 25 HE22 GLN 25 4.360 -10.642 2.914 183 H MET 26 H MET 26 -0.486 -5.486 2.429 184 HA MET 26 HA MET 26 -2.180 -5.336 4.780 185 HB2 MET 26 HB2 MET 26 -0.100 -4.229 5.023 186 HB3 MET 26 HB3 MET 26 -0.247 -3.458 3.454 187 HG2 MET 26 HG2 MET 26 -2.097 -2.077 4.332 188 HG3 MET 26 HG3 MET 26 -1.859 -2.814 5.917 189 HE1 MET 26 HE1 MET 26 1.416 -0.270 3.861 190 HE2 MET 26 HE2 MET 26 -0.043 -0.830 3.042 191 HE3 MET 26 HE3 MET 26 1.205 -1.985 3.517 192 H CYS 27 H CYS 27 -1.997 -3.785 1.568 193 HA CYS 27 HA CYS 27 -4.210 -2.069 2.206 194 HB2 CYS 27 HB2 CYS 27 -2.858 -2.491 -0.477 195 HB3 CYS 27 HB3 CYS 27 -3.907 -1.138 -0.008 196 H SER 28 H SER 28 -3.897 -5.110 0.456 197 HA SER 28 HA SER 28 -6.277 -4.871 -1.005 198 HB2 SER 28 HB2 SER 28 -4.822 -7.375 -0.161 199 HB3 SER 28 HB3 SER 28 -6.159 -7.321 -1.322 200 HG SER 28 HG SER 28 -4.472 -5.469 -2.088 201 HA PRO 29 HA PRO 29 -8.504 -7.209 2.737 202 HB2 PRO 29 HB2 PRO 29 -6.739 -6.023 4.835 203 HB3 PRO 29 HB3 PRO 29 -7.622 -7.564 4.847 204 HG2 PRO 29 HG2 PRO 29 -5.011 -7.574 4.418 205 HG3 PRO 29 HG3 PRO 29 -6.076 -8.614 3.436 206 HD2 PRO 29 HD2 PRO 29 -4.771 -6.004 2.703 207 HD3 PRO 29 HD3 PRO 29 -5.009 -7.466 1.718 208 H LEU 30 H LEU 30 -6.854 -4.115 3.101 209 HA LEU 30 HA LEU 30 -8.919 -2.682 4.383 210 HB2 LEU 30 HB2 LEU 30 -6.456 -2.034 4.074 211 HB3 LEU 30 HB3 LEU 30 -6.895 -1.563 2.424 212 HG LEU 30 HG LEU 30 -7.961 -0.297 4.976 213 HD11 LEU 30 HD11 LEU 30 -6.606 1.633 4.253 214 HD12 LEU 30 HD12 LEU 30 -5.962 0.661 2.927 215 HD13 LEU 30 HD13 LEU 30 -5.615 0.214 4.599 216 HD21 LEU 30 HD21 LEU 30 -8.330 0.556 2.097 217 HD22 LEU 30 HD22 LEU 30 -8.936 1.392 3.530 218 HD23 LEU 30 HD23 LEU 30 -9.569 -0.201 3.100 219 H GLU 31 H GLU 31 -8.095 -3.193 1.014 220 HA GLU 31 HA GLU 31 -10.099 -1.400 0.040 221 HB2 GLU 31 HB2 GLU 31 -7.945 -1.760 -1.126 222 HB3 GLU 31 HB3 GLU 31 -8.424 -3.428 -1.460 223 HG2 GLU 31 HG2 GLU 31 -10.291 -2.623 -2.817 224 HG3 GLU 31 HG3 GLU 31 -9.814 -0.952 -2.492 225 H ARG 32 H ARG 32 -9.858 -4.910 0.374 226 HA ARG 32 HA ARG 32 -12.725 -5.101 -0.082 227 HB2 ARG 32 HB2 ARG 32 -11.768 -5.362 -2.348 228 HB3 ARG 32 HB3 ARG 32 -10.720 -6.653 -1.751 229 HG2 ARG 32 HG2 ARG 32 -12.456 -7.814 -2.803 230 HG3 ARG 32 HG3 ARG 32 -12.883 -7.875 -1.094 231 HD2 ARG 32 HD2 ARG 32 -14.093 -6.129 -3.241 232 HD3 ARG 32 HD3 ARG 32 -14.866 -7.410 -2.317 233 HE ARG 32 HE ARG 32 -13.996 -4.849 -1.135 234 HH11 ARG 32 HH11 ARG 32 -16.285 -7.489 -1.395 235 HH12 ARG 32 HH12 ARG 32 -17.356 -6.841 -0.200 236 HH21 ARG 32 HH21 ARG 32 -15.404 -4.000 0.435 237 HH22 ARG 32 HH22 ARG 32 -16.864 -4.847 0.834 238 H SER 33 H SER 33 -13.539 -6.347 1.451 239 HA SER 33 HA SER 33 -12.397 -8.941 2.006 240 HB2 SER 33 HB2 SER 33 -12.607 -6.857 4.206 241 HB3 SER 33 HB3 SER 33 -12.414 -8.584 4.502 242 HG SER 33 HG SER 33 -10.609 -7.455 2.730 Start of MODEL 22 1 HA ALA 1 HA ALA 1 -15.524 1.115 1.612 2 HB1 ALA 1 HB1 ALA 1 -15.568 1.478 -0.800 3 HB2 ALA 1 HB2 ALA 1 -17.069 2.389 -0.646 4 HB3 ALA 1 HB3 ALA 1 -17.040 0.669 -0.260 5 H SER 2 H SER 2 -13.802 2.372 0.322 6 HA SER 2 HA SER 2 -13.866 5.233 0.465 7 HB2 SER 2 HB2 SER 2 -13.516 4.576 2.902 8 HB3 SER 2 HB3 SER 2 -11.979 3.865 2.410 9 HG SER 2 HG SER 2 -12.666 6.565 1.871 10 HA PRO 3 HA PRO 3 -11.109 3.083 -2.683 11 HB2 PRO 3 HB2 PRO 3 -12.076 5.545 -4.078 12 HB3 PRO 3 HB3 PRO 3 -11.833 3.904 -4.722 13 HG2 PRO 3 HG2 PRO 3 -14.274 4.738 -4.198 14 HG3 PRO 3 HG3 PRO 3 -13.779 3.099 -3.721 15 HD2 PRO 3 HD2 PRO 3 -14.085 5.544 -1.986 16 HD3 PRO 3 HD3 PRO 3 -14.510 3.837 -1.645 17 H GLN 4 H GLN 4 -11.301 6.360 -1.442 18 HA GLN 4 HA GLN 4 -8.813 7.219 -2.546 19 HB2 GLN 4 HB2 GLN 4 -10.477 8.366 -0.301 20 HB3 GLN 4 HB3 GLN 4 -9.008 9.113 -0.914 21 HG2 GLN 4 HG2 GLN 4 -11.527 8.608 -2.501 22 HG3 GLN 4 HG3 GLN 4 -10.986 10.165 -1.880 23 HE21 GLN 4 HE21 GLN 4 -8.170 9.612 -2.514 24 HE22 GLN 4 HE22 GLN 4 -8.036 9.772 -4.233 25 H GLN 5 H GLN 5 -9.804 6.026 0.647 26 HA GLN 5 HA GLN 5 -7.237 6.362 1.793 27 HB2 GLN 5 HB2 GLN 5 -8.056 5.408 3.724 28 HB3 GLN 5 HB3 GLN 5 -9.533 5.989 2.980 29 HG2 GLN 5 HG2 GLN 5 -10.015 3.749 2.157 30 HG3 GLN 5 HG3 GLN 5 -8.510 3.160 2.855 31 HE21 GLN 5 HE21 GLN 5 -8.826 4.882 5.245 32 HE22 GLN 5 HE22 GLN 5 -10.041 4.108 6.205 33 H ALA 6 H ALA 6 -8.774 3.791 0.035 34 HA ALA 6 HA ALA 6 -6.783 1.822 0.417 35 HB1 ALA 6 HB1 ALA 6 -8.961 1.228 -0.470 36 HB2 ALA 6 HB2 ALA 6 -7.694 0.778 -1.613 37 HB3 ALA 6 HB3 ALA 6 -8.667 2.214 -1.902 38 H LYS 7 H LYS 7 -7.234 4.325 -2.050 39 HA LYS 7 HA LYS 7 -4.979 3.617 -3.593 40 HB2 LYS 7 HB2 LYS 7 -6.811 5.066 -4.433 41 HB3 LYS 7 HB3 LYS 7 -6.290 6.333 -3.332 42 HG2 LYS 7 HG2 LYS 7 -5.482 6.796 -5.552 43 HG3 LYS 7 HG3 LYS 7 -4.115 6.430 -4.473 44 HD2 LYS 7 HD2 LYS 7 -4.141 4.084 -5.347 45 HD3 LYS 7 HD3 LYS 7 -5.394 4.560 -6.498 46 HE2 LYS 7 HE2 LYS 7 -2.575 5.638 -6.334 47 HE3 LYS 7 HE3 LYS 7 -3.225 4.596 -7.599 48 HZ1 LYS 7 HZ1 LYS 7 -4.731 6.373 -8.236 49 HZ2 LYS 7 HZ2 LYS 7 -3.126 6.901 -8.298 50 HZ3 LYS 7 HZ3 LYS 7 -4.119 7.370 -7.015 51 H TYR 8 H TYR 8 -5.435 5.742 -0.826 52 HA TYR 8 HA TYR 8 -2.864 6.874 -0.747 53 HB2 TYR 8 HB2 TYR 8 -4.803 7.658 0.609 54 HB3 TYR 8 HB3 TYR 8 -4.667 6.195 1.587 55 HD1 TYR 8 HD1 TYR 8 -3.025 9.375 0.720 56 HD2 TYR 8 HD2 TYR 8 -3.038 6.001 3.309 57 HE1 TYR 8 HE1 TYR 8 -1.456 10.526 2.220 58 HE2 TYR 8 HE2 TYR 8 -1.463 7.140 4.813 59 HH TYR 8 HH TYR 8 0.201 8.928 4.731 60 H CYS 9 H CYS 9 -4.171 3.877 0.592 61 HA CYS 9 HA CYS 9 -1.875 3.095 2.027 62 HB2 CYS 9 HB2 CYS 9 -4.172 2.089 2.283 63 HB3 CYS 9 HB3 CYS 9 -3.915 1.237 0.753 64 H TYR 10 H TYR 10 -2.976 2.225 -1.250 65 HA TYR 10 HA TYR 10 -0.684 0.664 -1.861 66 HB2 TYR 10 HB2 TYR 10 -2.842 1.908 -3.574 67 HB3 TYR 10 HB3 TYR 10 -1.481 1.033 -4.280 68 HD1 TYR 10 HD1 TYR 10 -1.139 -1.372 -3.652 69 HD2 TYR 10 HD2 TYR 10 -4.708 0.740 -2.698 70 HE1 TYR 10 HE1 TYR 10 -2.314 -3.504 -3.359 71 HE2 TYR 10 HE2 TYR 10 -5.891 -1.385 -2.399 72 HH TYR 10 HH TYR 10 -5.651 -3.757 -3.215 73 H GLU 11 H GLU 11 -1.421 4.090 -2.244 74 HA GLU 11 HA GLU 11 0.797 4.651 -3.910 75 HB2 GLU 11 HB2 GLU 11 -1.140 6.189 -3.679 76 HB3 GLU 11 HB3 GLU 11 -0.645 6.535 -2.009 77 HG2 GLU 11 HG2 GLU 11 1.486 7.440 -2.874 78 HG3 GLU 11 HG3 GLU 11 0.885 7.178 -4.529 79 H GLN 12 H GLN 12 0.335 4.942 -0.373 80 HA GLN 12 HA GLN 12 2.956 6.015 -0.021 81 HB2 GLN 12 HB2 GLN 12 0.841 5.092 1.919 82 HB3 GLN 12 HB3 GLN 12 2.389 5.741 2.435 83 HG2 GLN 12 HG2 GLN 12 0.776 7.313 0.513 84 HG3 GLN 12 HG3 GLN 12 0.257 7.249 2.192 85 HE21 GLN 12 HE21 GLN 12 3.611 7.056 1.290 86 HE22 GLN 12 HE22 GLN 12 4.063 8.609 1.903 87 H CYS 13 H CYS 13 1.718 2.797 -0.141 88 HA CYS 13 HA CYS 13 3.373 1.566 1.756 89 HB2 CYS 13 HB2 CYS 13 2.861 -0.539 0.645 90 HB3 CYS 13 HB3 CYS 13 1.407 0.461 0.676 91 H ASN 14 H ASN 14 3.900 1.728 -1.793 92 HA ASN 14 HA ASN 14 6.609 0.861 -1.471 93 HB2 ASN 14 HB2 ASN 14 6.828 1.420 -3.924 94 HB3 ASN 14 HB3 ASN 14 5.600 0.236 -3.512 95 HD21 ASN 14 HD21 ASN 14 5.384 3.794 -3.312 96 HD22 ASN 14 HD22 ASN 14 4.089 3.921 -4.453 97 H VAL 15 H VAL 15 5.065 3.972 -1.536 98 HA VAL 15 HA VAL 15 7.313 5.560 -2.116 99 HB VAL 15 HB VAL 15 4.864 6.166 -0.453 100 HG11 VAL 15 HG11 VAL 15 5.530 8.531 -0.544 101 HG12 VAL 15 HG12 VAL 15 7.054 8.067 -1.297 102 HG13 VAL 15 HG13 VAL 15 6.698 7.562 0.353 103 HG21 VAL 15 HG21 VAL 15 4.497 5.861 -2.864 104 HG22 VAL 15 HG22 VAL 15 5.705 7.101 -3.200 105 HG23 VAL 15 HG23 VAL 15 4.210 7.528 -2.368 106 H ASN 16 H ASN 16 6.079 4.220 0.924 107 HA ASN 16 HA ASN 16 8.126 5.426 2.522 108 HB2 ASN 16 HB2 ASN 16 6.344 3.037 3.105 109 HB3 ASN 16 HB3 ASN 16 7.362 3.863 4.290 110 HD21 ASN 16 HD21 ASN 16 4.497 3.524 4.421 111 HD22 ASN 16 HD22 ASN 16 3.818 5.117 4.423 112 H LYS 17 H LYS 17 7.551 1.937 2.197 113 HA LYS 17 HA LYS 17 9.783 1.224 0.748 114 HB2 LYS 17 HB2 LYS 17 11.081 2.179 2.636 115 HB3 LYS 17 HB3 LYS 17 10.299 1.025 3.722 116 HG2 LYS 17 HG2 LYS 17 11.315 -0.831 2.478 117 HG3 LYS 17 HG3 LYS 17 12.116 0.332 1.412 118 HD2 LYS 17 HD2 LYS 17 13.392 1.244 3.219 119 HD3 LYS 17 HD3 LYS 17 12.487 0.304 4.425 120 HE2 LYS 17 HE2 LYS 17 13.372 -1.770 3.357 121 HE3 LYS 17 HE3 LYS 17 14.348 -0.762 2.289 122 HZ1 LYS 17 HZ1 LYS 17 15.464 0.148 4.233 123 HZ2 LYS 17 HZ2 LYS 17 15.634 -1.534 4.170 124 HZ3 LYS 17 HZ3 LYS 17 14.537 -0.838 5.249 125 H VAL 18 H VAL 18 7.981 -0.218 0.058 126 HA VAL 18 HA VAL 18 8.175 -2.701 1.552 127 HB VAL 18 HB VAL 18 5.964 -3.131 2.011 128 HG11 VAL 18 HG11 VAL 18 5.933 -0.121 2.192 129 HG12 VAL 18 HG12 VAL 18 6.597 -1.228 3.393 130 HG13 VAL 18 HG13 VAL 18 4.867 -1.237 3.050 131 HG21 VAL 18 HG21 VAL 18 5.092 -1.112 -0.047 132 HG22 VAL 18 HG22 VAL 18 4.035 -2.170 0.896 133 HG23 VAL 18 HG23 VAL 18 5.175 -2.862 -0.262 134 HA PRO 19 HA PRO 19 8.096 -4.315 -2.653 135 HB2 PRO 19 HB2 PRO 19 7.307 -6.858 -1.411 136 HB3 PRO 19 HB3 PRO 19 8.764 -6.474 -2.346 137 HG2 PRO 19 HG2 PRO 19 8.858 -6.920 0.308 138 HG3 PRO 19 HG3 PRO 19 9.933 -5.767 -0.504 139 HD2 PRO 19 HD2 PRO 19 7.463 -5.224 1.112 140 HD3 PRO 19 HD3 PRO 19 9.012 -4.347 1.060 141 H PHE 20 H PHE 20 6.499 -5.127 -4.154 142 HA PHE 20 HA PHE 20 3.932 -4.181 -3.799 143 HB2 PHE 20 HB2 PHE 20 4.878 -4.774 -6.009 144 HB3 PHE 20 HB3 PHE 20 4.721 -6.481 -5.605 145 HD1 PHE 20 HD1 PHE 20 2.888 -3.399 -6.379 146 HD2 PHE 20 HD2 PHE 20 2.595 -7.588 -5.687 147 HE1 PHE 20 HE1 PHE 20 0.581 -3.381 -7.241 148 HE2 PHE 20 HE2 PHE 20 0.294 -7.576 -6.548 149 HZ PHE 20 HZ PHE 20 -0.716 -5.470 -7.327 150 H ASP 21 H ASP 21 5.108 -7.485 -3.219 151 HA ASP 21 HA ASP 21 2.625 -8.655 -2.704 152 HB2 ASP 21 HB2 ASP 21 3.878 -10.399 -1.458 153 HB3 ASP 21 HB3 ASP 21 4.545 -10.069 -3.051 154 H GLN 22 H GLN 22 4.847 -6.982 -0.516 155 HA GLN 22 HA GLN 22 3.267 -7.400 1.804 156 HB2 GLN 22 HB2 GLN 22 5.634 -6.810 1.970 157 HB3 GLN 22 HB3 GLN 22 5.318 -5.256 1.205 158 HG2 GLN 22 HG2 GLN 22 3.888 -4.634 3.102 159 HG3 GLN 22 HG3 GLN 22 4.270 -6.176 3.873 160 HE21 GLN 22 HE21 GLN 22 7.029 -6.160 2.960 161 HE22 GLN 22 HE22 GLN 22 7.856 -4.992 3.935 162 H CYS 23 H CYS 23 3.385 -4.870 -0.662 163 HA CYS 23 HA CYS 23 1.605 -3.076 0.596 164 HB2 CYS 23 HB2 CYS 23 2.984 -2.552 -1.481 165 HB3 CYS 23 HB3 CYS 23 1.807 -3.493 -2.398 166 H TYR 24 H TYR 24 1.054 -5.750 -1.639 167 HA TYR 24 HA TYR 24 -1.748 -5.530 -1.729 168 HB2 TYR 24 HB2 TYR 24 -0.432 -6.852 -3.362 169 HB3 TYR 24 HB3 TYR 24 -0.034 -8.011 -2.083 170 HD1 TYR 24 HD1 TYR 24 -1.578 -9.681 -1.412 171 HD2 TYR 24 HD2 TYR 24 -2.764 -6.670 -4.168 172 HE1 TYR 24 HE1 TYR 24 -3.618 -10.949 -1.909 173 HE2 TYR 24 HE2 TYR 24 -4.808 -7.932 -4.677 174 HH TYR 24 HH TYR 24 -5.632 -10.236 -4.557 175 H GLN 25 H GLN 25 0.423 -7.208 0.509 176 HA GLN 25 HA GLN 25 -1.641 -8.797 1.669 177 HB2 GLN 25 HB2 GLN 25 -0.024 -9.687 3.097 178 HB3 GLN 25 HB3 GLN 25 0.959 -9.167 1.735 179 HG2 GLN 25 HG2 GLN 25 1.597 -7.142 2.950 180 HG3 GLN 25 HG3 GLN 25 0.566 -7.619 4.294 181 HE21 GLN 25 HE21 GLN 25 1.196 -9.300 5.629 182 HE22 GLN 25 HE22 GLN 25 2.810 -9.930 5.629 183 H MET 26 H MET 26 -0.441 -5.598 2.272 184 HA MET 26 HA MET 26 -1.887 -5.406 4.779 185 HB2 MET 26 HB2 MET 26 0.231 -4.330 4.814 186 HB3 MET 26 HB3 MET 26 -0.074 -3.532 3.280 187 HG2 MET 26 HG2 MET 26 -1.791 -2.138 4.345 188 HG3 MET 26 HG3 MET 26 -1.466 -2.929 5.887 189 HE1 MET 26 HE1 MET 26 0.167 -0.836 2.983 190 HE2 MET 26 HE2 MET 26 1.412 -2.049 3.288 191 HE3 MET 26 HE3 MET 26 1.703 -0.362 3.704 192 H CYS 27 H CYS 27 -1.991 -3.880 1.553 193 HA CYS 27 HA CYS 27 -4.213 -2.231 2.386 194 HB2 CYS 27 HB2 CYS 27 -2.945 -2.472 -0.361 195 HB3 CYS 27 HB3 CYS 27 -4.051 -1.199 0.193 196 H SER 28 H SER 28 -3.878 -5.231 0.584 197 HA SER 28 HA SER 28 -6.320 -5.042 -0.802 198 HB2 SER 28 HB2 SER 28 -4.622 -6.706 -1.436 199 HB3 SER 28 HB3 SER 28 -4.973 -7.610 0.046 200 HG SER 28 HG SER 28 -6.607 -7.186 -2.218 201 HA PRO 29 HA PRO 29 -8.308 -7.461 3.036 202 HB2 PRO 29 HB2 PRO 29 -6.554 -6.096 5.038 203 HB3 PRO 29 HB3 PRO 29 -7.358 -7.676 5.142 204 HG2 PRO 29 HG2 PRO 29 -4.771 -7.588 4.618 205 HG3 PRO 29 HG3 PRO 29 -5.818 -8.701 3.698 206 HD2 PRO 29 HD2 PRO 29 -4.655 -6.057 2.860 207 HD3 PRO 29 HD3 PRO 29 -4.867 -7.551 1.915 208 H LEU 30 H LEU 30 -6.971 -4.243 2.987 209 HA LEU 30 HA LEU 30 -9.147 -2.960 4.353 210 HB2 LEU 30 HB2 LEU 30 -6.712 -2.137 4.084 211 HB3 LEU 30 HB3 LEU 30 -7.181 -1.683 2.440 212 HG LEU 30 HG LEU 30 -8.262 -0.526 5.030 213 HD11 LEU 30 HD11 LEU 30 -6.565 0.629 2.815 214 HD12 LEU 30 HD12 LEU 30 -6.039 0.256 4.458 215 HD13 LEU 30 HD13 LEU 30 -7.216 1.540 4.178 216 HD21 LEU 30 HD21 LEU 30 -10.046 -0.635 3.343 217 HD22 LEU 30 HD22 LEU 30 -9.002 0.190 2.184 218 HD23 LEU 30 HD23 LEU 30 -9.537 1.029 3.641 219 H GLU 31 H GLU 31 -7.973 -2.882 1.033 220 HA GLU 31 HA GLU 31 -10.129 -1.474 -0.060 221 HB2 GLU 31 HB2 GLU 31 -7.855 -1.698 -1.064 222 HB3 GLU 31 HB3 GLU 31 -8.239 -3.375 -1.471 223 HG2 GLU 31 HG2 GLU 31 -9.981 -1.163 -2.500 224 HG3 GLU 31 HG3 GLU 31 -8.431 -1.513 -3.280 225 H ARG 32 H ARG 32 -9.588 -4.934 0.269 226 HA ARG 32 HA ARG 32 -12.227 -5.399 -0.947 227 HB2 ARG 32 HB2 ARG 32 -9.885 -7.272 -0.513 228 HB3 ARG 32 HB3 ARG 32 -11.490 -7.850 -0.959 229 HG2 ARG 32 HG2 ARG 32 -9.812 -5.921 -2.604 230 HG3 ARG 32 HG3 ARG 32 -9.928 -7.655 -2.899 231 HD2 ARG 32 HD2 ARG 32 -11.367 -6.470 -4.428 232 HD3 ARG 32 HD3 ARG 32 -12.367 -7.379 -3.303 233 HE ARG 32 HE ARG 32 -11.834 -4.505 -2.897 234 HH11 ARG 32 HH11 ARG 32 -14.108 -7.129 -3.420 235 HH12 ARG 32 HH12 ARG 32 -15.494 -6.166 -3.022 236 HH21 ARG 32 HH21 ARG 32 -13.643 -3.256 -2.359 237 HH22 ARG 32 HH22 ARG 32 -15.231 -3.956 -2.410 238 H SER 33 H SER 33 -13.720 -5.242 0.585 239 HA SER 33 HA SER 33 -13.468 -7.047 2.887 240 HB2 SER 33 HB2 SER 33 -14.419 -4.166 3.085 241 HB3 SER 33 HB3 SER 33 -14.398 -5.339 4.400 242 HG SER 33 HG SER 33 -12.086 -4.527 2.956 Start of MODEL 23 1 HA ALA 1 HA ALA 1 -18.076 3.883 -0.494 2 HB1 ALA 1 HB1 ALA 1 -18.466 4.757 1.745 3 HB2 ALA 1 HB2 ALA 1 -17.393 3.533 2.422 4 HB3 ALA 1 HB3 ALA 1 -18.904 3.052 1.652 5 H SER 2 H SER 2 -14.906 3.176 -0.225 6 HA SER 2 HA SER 2 -14.081 5.887 -0.660 7 HB2 SER 2 HB2 SER 2 -14.257 5.754 1.885 8 HB3 SER 2 HB3 SER 2 -12.959 4.559 1.829 9 HG SER 2 HG SER 2 -12.445 6.926 2.125 10 HA PRO 3 HA PRO 3 -11.434 2.484 -2.508 11 HB2 PRO 3 HB2 PRO 3 -11.789 4.119 -4.946 12 HB3 PRO 3 HB3 PRO 3 -11.970 2.364 -4.722 13 HG2 PRO 3 HG2 PRO 3 -14.095 3.954 -5.088 14 HG3 PRO 3 HG3 PRO 3 -14.151 2.541 -4.014 15 HD2 PRO 3 HD2 PRO 3 -13.903 5.455 -3.275 16 HD3 PRO 3 HD3 PRO 3 -14.839 4.151 -2.480 17 H GLN 4 H GLN 4 -11.410 5.899 -2.229 18 HA GLN 4 HA GLN 4 -8.898 6.378 -3.491 19 HB2 GLN 4 HB2 GLN 4 -10.501 8.063 -1.565 20 HB3 GLN 4 HB3 GLN 4 -9.024 8.604 -2.351 21 HG2 GLN 4 HG2 GLN 4 -11.339 7.627 -3.986 22 HG3 GLN 4 HG3 GLN 4 -11.309 9.275 -3.369 23 HE21 GLN 4 HE21 GLN 4 -8.346 7.673 -4.285 24 HE22 GLN 4 HE22 GLN 4 -8.076 8.585 -5.726 25 H GLN 5 H GLN 5 -9.924 5.800 -0.175 26 HA GLN 5 HA GLN 5 -7.433 6.366 1.008 27 HB2 GLN 5 HB2 GLN 5 -8.238 5.379 3.003 28 HB3 GLN 5 HB3 GLN 5 -9.619 6.151 2.242 29 HG2 GLN 5 HG2 GLN 5 -10.428 4.017 1.449 30 HG3 GLN 5 HG3 GLN 5 -8.992 3.212 2.080 31 HE21 GLN 5 HE21 GLN 5 -8.937 4.834 4.510 32 HE22 GLN 5 HE22 GLN 5 -10.217 4.234 5.508 33 H ALA 6 H ALA 6 -8.706 3.527 -0.533 34 HA ALA 6 HA ALA 6 -6.655 1.735 0.247 35 HB1 ALA 6 HB1 ALA 6 -7.364 0.360 -1.657 36 HB2 ALA 6 HB2 ALA 6 -8.362 1.691 -2.245 37 HB3 ALA 6 HB3 ALA 6 -8.744 0.914 -0.707 38 H LYS 7 H LYS 7 -6.993 4.009 -2.426 39 HA LYS 7 HA LYS 7 -4.629 3.286 -3.798 40 HB2 LYS 7 HB2 LYS 7 -6.402 4.680 -4.815 41 HB3 LYS 7 HB3 LYS 7 -6.020 5.977 -3.694 42 HG2 LYS 7 HG2 LYS 7 -5.041 6.488 -5.808 43 HG3 LYS 7 HG3 LYS 7 -3.734 6.087 -4.665 44 HD2 LYS 7 HD2 LYS 7 -3.663 3.791 -5.596 45 HD3 LYS 7 HD3 LYS 7 -4.922 4.227 -6.753 46 HE2 LYS 7 HE2 LYS 7 -2.767 4.344 -7.854 47 HE3 LYS 7 HE3 LYS 7 -3.408 5.976 -7.667 48 HZ1 LYS 7 HZ1 LYS 7 -1.052 5.833 -7.117 49 HZ2 LYS 7 HZ2 LYS 7 -1.388 4.721 -5.891 50 HZ3 LYS 7 HZ3 LYS 7 -1.962 6.312 -5.773 51 H TYR 8 H TYR 8 -5.304 5.521 -1.170 52 HA TYR 8 HA TYR 8 -2.763 6.703 -0.955 53 HB2 TYR 8 HB2 TYR 8 -4.801 7.551 0.175 54 HB3 TYR 8 HB3 TYR 8 -4.778 6.141 1.234 55 HD1 TYR 8 HD1 TYR 8 -3.037 9.271 0.381 56 HD2 TYR 8 HD2 TYR 8 -3.348 6.048 3.134 57 HE1 TYR 8 HE1 TYR 8 -1.652 10.517 1.985 58 HE2 TYR 8 HE2 TYR 8 -1.954 7.277 4.742 59 HH TYR 8 HH TYR 8 -0.287 9.075 4.744 60 H CYS 9 H CYS 9 -4.141 3.796 0.506 61 HA CYS 9 HA CYS 9 -1.986 3.133 2.179 62 HB2 CYS 9 HB2 CYS 9 -4.289 2.091 2.228 63 HB3 CYS 9 HB3 CYS 9 -3.837 1.155 0.797 64 H TYR 10 H TYR 10 -2.723 2.096 -1.138 65 HA TYR 10 HA TYR 10 -0.392 0.509 -1.448 66 HB2 TYR 10 HB2 TYR 10 -2.407 1.651 -3.379 67 HB3 TYR 10 HB3 TYR 10 -0.964 0.814 -3.958 68 HD1 TYR 10 HD1 TYR 10 -4.258 0.432 -2.464 69 HD2 TYR 10 HD2 TYR 10 -0.615 -1.548 -3.409 70 HE1 TYR 10 HE1 TYR 10 -5.373 -1.735 -2.202 71 HE2 TYR 10 HE2 TYR 10 -1.718 -3.710 -3.155 72 HH TYR 10 HH TYR 10 -5.049 -4.089 -3.027 73 H GLU 11 H GLU 11 -1.115 3.879 -2.198 74 HA GLU 11 HA GLU 11 1.190 4.298 -3.789 75 HB2 GLU 11 HB2 GLU 11 -0.948 5.672 -3.796 76 HB3 GLU 11 HB3 GLU 11 -0.371 6.419 -2.293 77 HG2 GLU 11 HG2 GLU 11 1.554 7.320 -3.449 78 HG3 GLU 11 HG3 GLU 11 1.060 6.503 -4.951 79 H GLN 12 H GLN 12 0.504 4.768 -0.336 80 HA GLN 12 HA GLN 12 2.993 6.073 0.164 81 HB2 GLN 12 HB2 GLN 12 0.935 4.851 2.006 82 HB3 GLN 12 HB3 GLN 12 2.381 5.663 2.582 83 HG2 GLN 12 HG2 GLN 12 0.618 7.078 0.665 84 HG3 GLN 12 HG3 GLN 12 0.103 6.924 2.339 85 HE21 GLN 12 HE21 GLN 12 3.473 7.116 1.532 86 HE22 GLN 12 HE22 GLN 12 3.724 8.720 2.137 87 H CYS 13 H CYS 13 2.028 2.801 -0.162 88 HA CYS 13 HA CYS 13 3.804 1.464 1.491 89 HB2 CYS 13 HB2 CYS 13 2.623 0.759 -1.190 90 HB3 CYS 13 HB3 CYS 13 3.769 -0.314 -0.389 91 H ASN 14 H ASN 14 4.391 2.448 -1.915 92 HA ASN 14 HA ASN 14 7.140 1.609 -1.710 93 HB2 ASN 14 HB2 ASN 14 7.348 2.511 -4.019 94 HB3 ASN 14 HB3 ASN 14 6.036 1.357 -3.841 95 HD21 ASN 14 HD21 ASN 14 6.822 4.750 -4.370 96 HD22 ASN 14 HD22 ASN 14 5.225 5.210 -4.862 97 H VAL 15 H VAL 15 5.366 4.571 -1.359 98 HA VAL 15 HA VAL 15 7.511 6.377 -1.490 99 HB VAL 15 HB VAL 15 4.934 6.549 0.083 100 HG11 VAL 15 HG11 VAL 15 6.615 7.987 1.114 101 HG12 VAL 15 HG12 VAL 15 5.396 8.957 0.285 102 HG13 VAL 15 HG13 VAL 15 6.978 8.708 -0.453 103 HG21 VAL 15 HG21 VAL 15 5.788 7.793 -2.536 104 HG22 VAL 15 HG22 VAL 15 4.264 8.110 -1.707 105 HG23 VAL 15 HG23 VAL 15 4.608 6.498 -2.333 106 H ASN 16 H ASN 16 6.265 4.348 1.148 107 HA ASN 16 HA ASN 16 8.215 5.420 3.003 108 HB2 ASN 16 HB2 ASN 16 6.508 2.915 3.227 109 HB3 ASN 16 HB3 ASN 16 7.458 3.641 4.524 110 HD21 ASN 16 HD21 ASN 16 6.718 6.372 3.675 111 HD22 ASN 16 HD22 ASN 16 5.083 6.575 4.211 112 H LYS 17 H LYS 17 7.738 1.968 2.350 113 HA LYS 17 HA LYS 17 9.727 1.480 0.542 114 HB2 LYS 17 HB2 LYS 17 11.145 2.363 2.555 115 HB3 LYS 17 HB3 LYS 17 10.852 0.753 3.224 116 HG2 LYS 17 HG2 LYS 17 11.944 -0.286 1.345 117 HG3 LYS 17 HG3 LYS 17 12.116 1.276 0.531 118 HD2 LYS 17 HD2 LYS 17 13.439 2.032 2.596 119 HD3 LYS 17 HD3 LYS 17 13.469 0.315 3.049 120 HE2 LYS 17 HE2 LYS 17 14.600 -0.251 0.983 121 HE3 LYS 17 HE3 LYS 17 14.495 1.421 0.432 122 HZ1 LYS 17 HZ1 LYS 17 15.893 2.067 2.309 123 HZ2 LYS 17 HZ2 LYS 17 16.676 0.948 1.311 124 HZ3 LYS 17 HZ3 LYS 17 16.021 0.450 2.788 125 H VAL 18 H VAL 18 7.898 -0.029 0.040 126 HA VAL 18 HA VAL 18 8.403 -2.582 1.357 127 HB VAL 18 HB VAL 18 6.363 -3.022 2.260 128 HG11 VAL 18 HG11 VAL 18 6.997 -0.894 3.306 129 HG12 VAL 18 HG12 VAL 18 5.252 -1.149 3.283 130 HG13 VAL 18 HG13 VAL 18 5.995 -0.032 2.138 131 HG21 VAL 18 HG21 VAL 18 4.193 -2.157 1.326 132 HG22 VAL 18 HG22 VAL 18 5.145 -3.185 0.250 133 HG23 VAL 18 HG23 VAL 18 5.142 -1.437 0.020 134 HA PRO 19 HA PRO 19 7.815 -4.114 -2.828 135 HB2 PRO 19 HB2 PRO 19 6.871 -6.601 -1.547 136 HB3 PRO 19 HB3 PRO 19 8.249 -6.357 -2.635 137 HG2 PRO 19 HG2 PRO 19 8.603 -6.859 -0.022 138 HG3 PRO 19 HG3 PRO 19 9.677 -5.774 -0.928 139 HD2 PRO 19 HD2 PRO 19 7.456 -5.079 0.969 140 HD3 PRO 19 HD3 PRO 19 9.050 -4.321 0.748 141 H PHE 20 H PHE 20 6.089 -4.389 -4.221 142 HA PHE 20 HA PHE 20 3.625 -3.332 -3.413 143 HB2 PHE 20 HB2 PHE 20 4.575 -3.314 -5.758 144 HB3 PHE 20 HB3 PHE 20 4.051 -4.988 -5.902 145 HD1 PHE 20 HD1 PHE 20 1.684 -5.550 -6.005 146 HD2 PHE 20 HD2 PHE 20 2.996 -1.511 -5.742 147 HE1 PHE 20 HE1 PHE 20 -0.557 -4.781 -6.681 148 HE2 PHE 20 HE2 PHE 20 0.761 -0.734 -6.417 149 HZ PHE 20 HZ PHE 20 -1.019 -2.370 -6.885 150 H ASP 21 H ASP 21 4.634 -6.692 -3.873 151 HA ASP 21 HA ASP 21 2.059 -7.812 -3.566 152 HB2 ASP 21 HB2 ASP 21 3.251 -9.930 -3.034 153 HB3 ASP 21 HB3 ASP 21 3.790 -9.173 -4.528 154 H GLN 22 H GLN 22 4.582 -7.005 -1.216 155 HA GLN 22 HA GLN 22 3.198 -7.939 1.062 156 HB2 GLN 22 HB2 GLN 22 5.571 -7.383 1.197 157 HB3 GLN 22 HB3 GLN 22 5.228 -5.699 0.815 158 HG2 GLN 22 HG2 GLN 22 3.853 -5.590 2.899 159 HG3 GLN 22 HG3 GLN 22 4.440 -7.211 3.292 160 HE21 GLN 22 HE21 GLN 22 4.804 -4.686 4.720 161 HE22 GLN 22 HE22 GLN 22 6.516 -4.468 4.857 162 H CYS 23 H CYS 23 3.107 -4.929 -0.764 163 HA CYS 23 HA CYS 23 1.477 -3.489 1.045 164 HB2 CYS 23 HB2 CYS 23 2.687 -2.493 -0.957 165 HB3 CYS 23 HB3 CYS 23 1.399 -3.164 -1.962 166 H TYR 24 H TYR 24 0.695 -5.588 -1.702 167 HA TYR 24 HA TYR 24 -2.089 -5.451 -1.527 168 HB2 TYR 24 HB2 TYR 24 -0.660 -6.673 -3.303 169 HB3 TYR 24 HB3 TYR 24 -0.609 -8.017 -2.151 170 HD1 TYR 24 HD1 TYR 24 -2.560 -6.294 -4.636 171 HD2 TYR 24 HD2 TYR 24 -2.760 -9.102 -1.452 172 HE1 TYR 24 HE1 TYR 24 -4.735 -7.070 -5.468 173 HE2 TYR 24 HE2 TYR 24 -4.934 -9.890 -2.273 174 HH TYR 24 HH TYR 24 -6.118 -9.215 -5.308 175 H GLN 25 H GLN 25 0.253 -7.243 0.369 176 HA GLN 25 HA GLN 25 -1.540 -8.988 1.666 177 HB2 GLN 25 HB2 GLN 25 0.859 -9.411 1.692 178 HB3 GLN 25 HB3 GLN 25 1.159 -7.870 2.486 179 HG2 GLN 25 HG2 GLN 25 -0.110 -8.720 4.462 180 HG3 GLN 25 HG3 GLN 25 -0.167 -10.296 3.673 181 HE21 GLN 25 HE21 GLN 25 1.102 -9.435 6.174 182 HE22 GLN 25 HE22 GLN 25 2.769 -9.880 6.023 183 H MET 26 H MET 26 -0.347 -5.755 2.472 184 HA MET 26 HA MET 26 -1.691 -5.780 5.024 185 HB2 MET 26 HB2 MET 26 0.468 -4.748 4.950 186 HB3 MET 26 HB3 MET 26 -0.001 -3.742 3.591 187 HG2 MET 26 HG2 MET 26 -1.590 -2.545 5.056 188 HG3 MET 26 HG3 MET 26 -1.030 -3.521 6.415 189 HE1 MET 26 HE1 MET 26 1.725 -0.569 4.149 190 HE2 MET 26 HE2 MET 26 0.069 -0.922 3.657 191 HE3 MET 26 HE3 MET 26 1.318 -2.158 3.510 192 H CYS 27 H CYS 27 -2.100 -4.099 1.912 193 HA CYS 27 HA CYS 27 -4.206 -2.457 3.034 194 HB2 CYS 27 HB2 CYS 27 -3.252 -2.643 0.159 195 HB3 CYS 27 HB3 CYS 27 -4.320 -1.400 0.837 196 H SER 28 H SER 28 -4.151 -5.551 1.578 197 HA SER 28 HA SER 28 -6.535 -5.427 0.122 198 HB2 SER 28 HB2 SER 28 -6.590 -7.959 0.450 199 HB3 SER 28 HB3 SER 28 -5.189 -7.266 -0.377 200 HG SER 28 HG SER 28 -3.943 -7.792 1.252 201 HA PRO 29 HA PRO 29 -8.873 -7.150 4.095 202 HB2 PRO 29 HB2 PRO 29 -7.248 -5.706 6.133 203 HB3 PRO 29 HB3 PRO 29 -8.078 -7.270 6.257 204 HG2 PRO 29 HG2 PRO 29 -5.442 -7.210 5.971 205 HG3 PRO 29 HG3 PRO 29 -6.416 -8.403 5.071 206 HD2 PRO 29 HD2 PRO 29 -5.175 -5.839 4.095 207 HD3 PRO 29 HD3 PRO 29 -5.292 -7.419 3.285 208 H LEU 30 H LEU 30 -7.287 -4.030 3.976 209 HA LEU 30 HA LEU 30 -9.388 -2.431 4.993 210 HB2 LEU 30 HB2 LEU 30 -6.924 -1.800 4.581 211 HB3 LEU 30 HB3 LEU 30 -7.372 -1.627 2.877 212 HG LEU 30 HG LEU 30 -8.362 0.052 5.210 213 HD11 LEU 30 HD11 LEU 30 -7.199 1.857 4.018 214 HD12 LEU 30 HD12 LEU 30 -6.646 0.698 2.807 215 HD13 LEU 30 HD13 LEU 30 -6.094 0.561 4.479 216 HD21 LEU 30 HD21 LEU 30 -10.155 -0.285 3.542 217 HD22 LEU 30 HD22 LEU 30 -9.074 0.315 2.281 218 HD23 LEU 30 HD23 LEU 30 -9.583 1.384 3.590 219 H GLU 31 H GLU 31 -8.318 -3.053 1.687 220 HA GLU 31 HA GLU 31 -10.430 -1.674 0.438 221 HB2 GLU 31 HB2 GLU 31 -8.171 -2.241 -0.553 222 HB3 GLU 31 HB3 GLU 31 -8.767 -3.894 -0.772 223 HG2 GLU 31 HG2 GLU 31 -10.111 -1.490 -2.003 224 HG3 GLU 31 HG3 GLU 31 -8.825 -2.395 -2.804 225 H ARG 32 H ARG 32 -9.972 -5.114 1.139 226 HA ARG 32 HA ARG 32 -12.846 -5.491 0.663 227 HB2 ARG 32 HB2 ARG 32 -11.413 -6.335 -1.280 228 HB3 ARG 32 HB3 ARG 32 -10.733 -7.510 -0.148 229 HG2 ARG 32 HG2 ARG 32 -12.454 -8.584 -1.465 230 HG3 ARG 32 HG3 ARG 32 -12.995 -8.450 0.209 231 HD2 ARG 32 HD2 ARG 32 -14.543 -7.818 -1.870 232 HD3 ARG 32 HD3 ARG 32 -14.684 -7.016 -0.310 233 HE ARG 32 HE ARG 32 -12.808 -5.663 -1.956 234 HH11 ARG 32 HH11 ARG 32 -16.252 -6.167 -1.581 235 HH12 ARG 32 HH12 ARG 32 -16.683 -4.652 -2.308 236 HH21 ARG 32 HH21 ARG 32 -13.353 -3.643 -2.863 237 HH22 ARG 32 HH22 ARG 32 -15.034 -3.219 -3.046 238 H SER 33 H SER 33 -13.809 -6.361 2.389 239 HA SER 33 HA SER 33 -12.082 -7.684 4.382 240 HB2 SER 33 HB2 SER 33 -14.667 -6.206 4.965 241 HB3 SER 33 HB3 SER 33 -13.467 -6.773 6.126 242 HG SER 33 HG SER 33 -12.002 -5.300 4.783 Start of MODEL 24 1 HA ALA 1 HA ALA 1 -15.046 -0.485 0.491 2 HB1 ALA 1 HB1 ALA 1 -15.791 0.582 -1.564 3 HB2 ALA 1 HB2 ALA 1 -17.243 1.167 -0.752 4 HB3 ALA 1 HB3 ALA 1 -17.003 -0.562 -0.987 5 H SER 2 H SER 2 -13.415 0.968 0.016 6 HA SER 2 HA SER 2 -13.764 3.799 0.470 7 HB2 SER 2 HB2 SER 2 -11.872 3.840 2.203 8 HB3 SER 2 HB3 SER 2 -13.406 3.192 2.784 9 HG SER 2 HG SER 2 -12.443 1.073 2.147 10 HA PRO 3 HA PRO 3 -10.834 2.156 -2.870 11 HB2 PRO 3 HB2 PRO 3 -12.055 4.581 -4.124 12 HB3 PRO 3 HB3 PRO 3 -11.651 3.010 -4.857 13 HG2 PRO 3 HG2 PRO 3 -14.163 3.564 -4.278 14 HG3 PRO 3 HG3 PRO 3 -13.499 1.958 -3.903 15 HD2 PRO 3 HD2 PRO 3 -14.042 4.249 -2.019 16 HD3 PRO 3 HD3 PRO 3 -14.278 2.490 -1.779 17 H GLN 4 H GLN 4 -11.386 5.509 -1.801 18 HA GLN 4 HA GLN 4 -8.959 6.513 -2.824 19 HB2 GLN 4 HB2 GLN 4 -10.921 7.922 -2.251 20 HB3 GLN 4 HB3 GLN 4 -10.616 7.607 -0.547 21 HG2 GLN 4 HG2 GLN 4 -9.616 9.666 -0.820 22 HG3 GLN 4 HG3 GLN 4 -8.256 8.573 -1.070 23 HE21 GLN 4 HE21 GLN 4 -9.329 7.816 -3.769 24 HE22 GLN 4 HE22 GLN 4 -8.936 9.157 -4.789 25 H GLN 5 H GLN 5 -9.865 5.245 0.341 26 HA GLN 5 HA GLN 5 -7.411 5.818 1.621 27 HB2 GLN 5 HB2 GLN 5 -9.515 3.745 2.206 28 HB3 GLN 5 HB3 GLN 5 -8.080 3.944 3.194 29 HG2 GLN 5 HG2 GLN 5 -10.104 6.119 2.689 30 HG3 GLN 5 HG3 GLN 5 -10.073 5.089 4.118 31 HE21 GLN 5 HE21 GLN 5 -7.131 5.057 4.213 32 HE22 GLN 5 HE22 GLN 5 -6.670 6.615 4.807 33 H ALA 6 H ALA 6 -8.587 3.050 -0.184 34 HA ALA 6 HA ALA 6 -6.371 1.370 0.222 35 HB1 ALA 6 HB1 ALA 6 -8.175 1.463 -2.190 36 HB2 ALA 6 HB2 ALA 6 -8.511 0.584 -0.699 37 HB3 ALA 6 HB3 ALA 6 -7.138 0.124 -1.706 38 H LYS 7 H LYS 7 -7.061 3.798 -2.253 39 HA LYS 7 HA LYS 7 -4.754 3.315 -3.812 40 HB2 LYS 7 HB2 LYS 7 -6.811 4.602 -4.529 41 HB3 LYS 7 HB3 LYS 7 -6.230 5.943 -3.552 42 HG2 LYS 7 HG2 LYS 7 -5.683 6.256 -5.902 43 HG3 LYS 7 HG3 LYS 7 -4.211 6.093 -4.907 44 HD2 LYS 7 HD2 LYS 7 -3.980 3.758 -5.587 45 HD3 LYS 7 HD3 LYS 7 -5.495 3.840 -6.492 46 HE2 LYS 7 HE2 LYS 7 -2.980 5.410 -7.087 47 HE3 LYS 7 HE3 LYS 7 -3.561 4.014 -7.992 48 HZ1 LYS 7 HZ1 LYS 7 -4.901 6.653 -7.754 49 HZ2 LYS 7 HZ2 LYS 7 -5.577 5.304 -8.511 50 HZ3 LYS 7 HZ3 LYS 7 -4.172 6.003 -9.134 51 H TYR 8 H TYR 8 -5.405 5.397 -1.060 52 HA TYR 8 HA TYR 8 -2.936 6.772 -1.013 53 HB2 TYR 8 HB2 TYR 8 -4.979 7.476 0.233 54 HB3 TYR 8 HB3 TYR 8 -4.774 6.084 1.295 55 HD1 TYR 8 HD1 TYR 8 -3.253 9.290 0.264 56 HD2 TYR 8 HD2 TYR 8 -3.307 6.160 3.143 57 HE1 TYR 8 HE1 TYR 8 -1.864 10.653 1.763 58 HE2 TYR 8 HE2 TYR 8 -1.911 7.510 4.648 59 HH TYR 8 HH TYR 8 -1.346 10.844 4.124 60 H CYS 9 H CYS 9 -4.060 3.782 0.490 61 HA CYS 9 HA CYS 9 -1.797 3.204 2.041 62 HB2 CYS 9 HB2 CYS 9 -4.003 2.039 2.217 63 HB3 CYS 9 HB3 CYS 9 -3.657 1.211 0.694 64 H TYR 10 H TYR 10 -2.630 2.174 -1.265 65 HA TYR 10 HA TYR 10 -0.256 0.706 -1.705 66 HB2 TYR 10 HB2 TYR 10 -2.333 1.869 -3.559 67 HB3 TYR 10 HB3 TYR 10 -0.880 1.085 -4.185 68 HD1 TYR 10 HD1 TYR 10 -4.169 0.580 -2.769 69 HD2 TYR 10 HD2 TYR 10 -0.450 -1.301 -3.616 70 HE1 TYR 10 HE1 TYR 10 -5.240 -1.615 -2.577 71 HE2 TYR 10 HE2 TYR 10 -1.513 -3.495 -3.421 72 HH TYR 10 HH TYR 10 -3.462 -4.527 -2.404 73 H GLU 11 H GLU 11 -1.102 4.089 -2.330 74 HA GLU 11 HA GLU 11 1.157 4.696 -3.887 75 HB2 GLU 11 HB2 GLU 11 -0.858 6.143 -3.776 76 HB3 GLU 11 HB3 GLU 11 -0.431 6.577 -2.106 77 HG2 GLU 11 HG2 GLU 11 1.740 7.468 -3.005 78 HG3 GLU 11 HG3 GLU 11 1.074 7.224 -4.637 79 H GLN 12 H GLN 12 0.586 4.905 -0.379 80 HA GLN 12 HA GLN 12 3.090 6.159 0.133 81 HB2 GLN 12 HB2 GLN 12 1.098 4.795 1.951 82 HB3 GLN 12 HB3 GLN 12 2.547 5.594 2.535 83 HG2 GLN 12 HG2 GLN 12 0.650 7.075 0.792 84 HG3 GLN 12 HG3 GLN 12 0.274 6.837 2.491 85 HE21 GLN 12 HE21 GLN 12 3.547 7.179 1.350 86 HE22 GLN 12 HE22 GLN 12 3.825 8.742 2.036 87 H CYS 13 H CYS 13 2.145 2.927 -0.425 88 HA CYS 13 HA CYS 13 3.907 1.525 1.192 89 HB2 CYS 13 HB2 CYS 13 2.617 0.886 -1.445 90 HB3 CYS 13 HB3 CYS 13 3.834 -0.202 -0.768 91 H ASN 14 H ASN 14 4.518 2.503 -2.225 92 HA ASN 14 HA ASN 14 7.247 1.642 -2.009 93 HB2 ASN 14 HB2 ASN 14 7.520 2.636 -4.259 94 HB3 ASN 14 HB3 ASN 14 6.127 1.570 -4.169 95 HD21 ASN 14 HD21 ASN 14 7.151 4.938 -4.405 96 HD22 ASN 14 HD22 ASN 14 5.612 5.541 -4.918 97 H VAL 15 H VAL 15 5.535 4.594 -1.459 98 HA VAL 15 HA VAL 15 7.725 6.368 -1.546 99 HB VAL 15 HB VAL 15 5.119 6.583 -0.025 100 HG11 VAL 15 HG11 VAL 15 7.170 8.728 -0.592 101 HG12 VAL 15 HG12 VAL 15 6.849 8.002 0.981 102 HG13 VAL 15 HG13 VAL 15 5.606 8.968 0.186 103 HG21 VAL 15 HG21 VAL 15 6.015 7.766 -2.658 104 HG22 VAL 15 HG22 VAL 15 4.497 8.139 -1.845 105 HG23 VAL 15 HG23 VAL 15 4.799 6.508 -2.435 106 H ASN 16 H ASN 16 6.362 4.335 1.014 107 HA ASN 16 HA ASN 16 8.244 5.419 2.958 108 HB2 ASN 16 HB2 ASN 16 6.297 3.106 3.246 109 HB3 ASN 16 HB3 ASN 16 7.201 3.881 4.551 110 HD21 ASN 16 HD21 ASN 16 6.799 6.559 3.429 111 HD22 ASN 16 HD22 ASN 16 5.148 6.958 3.766 112 H LYS 17 H LYS 17 7.468 1.993 2.425 113 HA LYS 17 HA LYS 17 9.673 1.204 0.998 114 HB2 LYS 17 HB2 LYS 17 10.977 2.002 2.991 115 HB3 LYS 17 HB3 LYS 17 10.171 0.746 3.945 116 HG2 LYS 17 HG2 LYS 17 11.114 -0.967 2.442 117 HG3 LYS 17 HG3 LYS 17 11.968 0.302 1.560 118 HD2 LYS 17 HD2 LYS 17 13.252 0.894 3.495 119 HD3 LYS 17 HD3 LYS 17 12.312 -0.204 4.530 120 HE2 LYS 17 HE2 LYS 17 14.092 -1.001 2.214 121 HE3 LYS 17 HE3 LYS 17 14.485 -1.169 3.923 122 HZ1 LYS 17 HZ1 LYS 17 12.611 -2.691 4.154 123 HZ2 LYS 17 HZ2 LYS 17 13.709 -3.254 3.004 124 HZ3 LYS 17 HZ3 LYS 17 12.259 -2.542 2.509 125 H VAL 18 H VAL 18 7.805 -0.105 0.246 126 HA VAL 18 HA VAL 18 7.934 -2.692 1.463 127 HB VAL 18 HB VAL 18 6.286 -2.158 2.984 128 HG11 VAL 18 HG11 VAL 18 5.859 0.102 2.259 129 HG12 VAL 18 HG12 VAL 18 4.330 -0.745 2.507 130 HG13 VAL 18 HG13 VAL 18 4.941 -0.486 0.873 131 HG21 VAL 18 HG21 VAL 18 5.520 -4.094 1.791 132 HG22 VAL 18 HG22 VAL 18 4.797 -3.096 0.534 133 HG23 VAL 18 HG23 VAL 18 4.120 -3.086 2.164 134 HA PRO 19 HA PRO 19 7.589 -3.661 -2.860 135 HB2 PRO 19 HB2 PRO 19 6.989 -6.355 -1.771 136 HB3 PRO 19 HB3 PRO 19 8.228 -5.865 -2.942 137 HG2 PRO 19 HG2 PRO 19 8.894 -6.491 -0.434 138 HG3 PRO 19 HG3 PRO 19 9.703 -5.174 -1.305 139 HD2 PRO 19 HD2 PRO 19 7.609 -5.019 0.832 140 HD3 PRO 19 HD3 PRO 19 9.014 -3.969 0.529 141 H PHE 20 H PHE 20 5.944 -4.205 -4.362 142 HA PHE 20 HA PHE 20 3.413 -3.342 -3.639 143 HB2 PHE 20 HB2 PHE 20 4.300 -3.399 -5.971 144 HB3 PHE 20 HB3 PHE 20 4.009 -5.134 -5.997 145 HD1 PHE 20 HD1 PHE 20 2.443 -1.826 -5.943 146 HD2 PHE 20 HD2 PHE 20 1.782 -6.024 -6.180 147 HE1 PHE 20 HE1 PHE 20 0.124 -1.416 -6.655 148 HE2 PHE 20 HE2 PHE 20 -0.536 -5.619 -6.897 149 HZ PHE 20 HZ PHE 20 -1.367 -3.318 -7.135 150 H ASP 21 H ASP 21 4.524 -6.708 -4.008 151 HA ASP 21 HA ASP 21 1.960 -7.861 -3.698 152 HB2 ASP 21 HB2 ASP 21 3.135 -9.980 -3.344 153 HB3 ASP 21 HB3 ASP 21 3.801 -9.108 -4.722 154 H GLN 22 H GLN 22 4.562 -7.213 -1.368 155 HA GLN 22 HA GLN 22 3.158 -8.266 0.862 156 HB2 GLN 22 HB2 GLN 22 5.608 -7.908 0.821 157 HB3 GLN 22 HB3 GLN 22 5.337 -6.169 0.822 158 HG2 GLN 22 HG2 GLN 22 5.869 -6.889 3.040 159 HG3 GLN 22 HG3 GLN 22 4.169 -6.395 2.988 160 HE21 GLN 22 HE21 GLN 22 6.379 -9.063 3.275 161 HE22 GLN 22 HE22 GLN 22 5.218 -10.218 3.832 162 H CYS 23 H CYS 23 3.341 -5.097 -0.659 163 HA CYS 23 HA CYS 23 1.812 -3.617 1.178 164 HB2 CYS 23 HB2 CYS 23 2.988 -2.571 -0.744 165 HB3 CYS 23 HB3 CYS 23 1.853 -3.349 -1.846 166 H TYR 24 H TYR 24 0.849 -5.651 -1.535 167 HA TYR 24 HA TYR 24 -1.899 -5.272 -1.464 168 HB2 TYR 24 HB2 TYR 24 -0.640 -6.611 -3.189 169 HB3 TYR 24 HB3 TYR 24 -0.497 -7.911 -1.995 170 HD1 TYR 24 HD1 TYR 24 -2.445 -9.215 -1.339 171 HD2 TYR 24 HD2 TYR 24 -2.743 -6.146 -4.264 172 HE1 TYR 24 HE1 TYR 24 -4.626 -10.093 -2.031 173 HE2 TYR 24 HE2 TYR 24 -4.928 -7.017 -4.966 174 HH TYR 24 HH TYR 24 -6.657 -9.317 -3.145 175 H GLN 25 H GLN 25 0.175 -7.167 0.638 176 HA GLN 25 HA GLN 25 -1.957 -8.714 1.759 177 HB2 GLN 25 HB2 GLN 25 0.921 -8.278 2.571 178 HB3 GLN 25 HB3 GLN 25 -0.186 -9.221 3.561 179 HG2 GLN 25 HG2 GLN 25 0.223 -9.900 0.658 180 HG3 GLN 25 HG3 GLN 25 1.346 -10.460 1.890 181 HE21 GLN 25 HE21 GLN 25 -2.055 -10.103 2.586 182 HE22 GLN 25 HE22 GLN 25 -2.417 -11.789 2.647 183 H MET 26 H MET 26 -0.552 -5.616 2.449 184 HA MET 26 HA MET 26 -1.920 -5.454 5.006 185 HB2 MET 26 HB2 MET 26 0.282 -4.475 4.926 186 HB3 MET 26 HB3 MET 26 -0.150 -3.519 3.517 187 HG2 MET 26 HG2 MET 26 -1.769 -2.259 4.898 188 HG3 MET 26 HG3 MET 26 -1.242 -3.178 6.308 189 HE1 MET 26 HE1 MET 26 -0.142 -0.604 3.531 190 HE2 MET 26 HE2 MET 26 1.071 -1.872 3.359 191 HE3 MET 26 HE3 MET 26 1.529 -0.291 3.989 192 H CYS 27 H CYS 27 -2.047 -3.842 1.826 193 HA CYS 27 HA CYS 27 -4.195 -2.133 2.674 194 HB2 CYS 27 HB2 CYS 27 -3.188 -2.588 -0.151 195 HB3 CYS 27 HB3 CYS 27 -4.150 -1.220 0.440 196 H SER 28 H SER 28 -4.069 -5.256 1.073 197 HA SER 28 HA SER 28 -6.572 -5.116 -0.193 198 HB2 SER 28 HB2 SER 28 -4.907 -6.915 -0.653 199 HB3 SER 28 HB3 SER 28 -5.356 -7.658 0.891 200 HG SER 28 HG SER 28 -7.416 -7.026 -0.878 201 HA PRO 29 HA PRO 29 -8.445 -7.011 4.005 202 HB2 PRO 29 HB2 PRO 29 -6.515 -5.522 5.732 203 HB3 PRO 29 HB3 PRO 29 -7.382 -7.037 6.063 204 HG2 PRO 29 HG2 PRO 29 -4.829 -7.137 5.380 205 HG3 PRO 29 HG3 PRO 29 -5.982 -8.296 4.666 206 HD2 PRO 29 HD2 PRO 29 -4.750 -5.842 3.444 207 HD3 PRO 29 HD3 PRO 29 -5.109 -7.419 2.703 208 H LEU 30 H LEU 30 -6.928 -3.862 3.686 209 HA LEU 30 HA LEU 30 -8.934 -2.332 4.988 210 HB2 LEU 30 HB2 LEU 30 -6.533 -1.647 4.378 211 HB3 LEU 30 HB3 LEU 30 -7.134 -1.418 2.729 212 HG LEU 30 HG LEU 30 -7.996 0.143 5.191 213 HD11 LEU 30 HD11 LEU 30 -6.867 2.009 4.038 214 HD12 LEU 30 HD12 LEU 30 -6.326 0.887 2.788 215 HD13 LEU 30 HD13 LEU 30 -5.755 0.701 4.447 216 HD21 LEU 30 HD21 LEU 30 -9.242 1.568 3.661 217 HD22 LEU 30 HD22 LEU 30 -9.835 -0.094 3.562 218 HD23 LEU 30 HD23 LEU 30 -8.783 0.545 2.298 219 H GLU 31 H GLU 31 -8.307 -3.214 1.650 220 HA GLU 31 HA GLU 31 -10.506 -1.701 0.606 221 HB2 GLU 31 HB2 GLU 31 -8.275 -2.196 -0.542 222 HB3 GLU 31 HB3 GLU 31 -8.906 -3.822 -0.833 223 HG2 GLU 31 HG2 GLU 31 -10.346 -1.354 -1.792 224 HG3 GLU 31 HG3 GLU 31 -9.072 -2.139 -2.735 225 H ARG 32 H ARG 32 -9.819 -5.187 0.252 226 HA ARG 32 HA ARG 32 -12.457 -5.918 1.172 227 HB2 ARG 32 HB2 ARG 32 -11.705 -6.073 -1.740 228 HB3 ARG 32 HB3 ARG 32 -12.824 -7.247 -1.055 229 HG2 ARG 32 HG2 ARG 32 -13.231 -4.238 -1.030 230 HG3 ARG 32 HG3 ARG 32 -13.930 -5.326 -2.228 231 HD2 ARG 32 HD2 ARG 32 -15.578 -4.779 -0.555 232 HD3 ARG 32 HD3 ARG 32 -15.164 -6.480 -0.408 233 HE ARG 32 HE ARG 32 -13.788 -4.570 1.336 234 HH11 ARG 32 HH11 ARG 32 -16.208 -7.072 0.952 235 HH12 ARG 32 HH12 ARG 32 -16.366 -7.363 2.653 236 HH21 ARG 32 HH21 ARG 32 -14.001 -4.944 3.582 237 HH22 ARG 32 HH22 ARG 32 -15.110 -6.152 4.150 238 H SER 33 H SER 33 -11.787 -7.468 2.548 239 HA SER 33 HA SER 33 -10.824 -9.924 1.362 240 HB2 SER 33 HB2 SER 33 -9.228 -8.604 3.580 241 HB3 SER 33 HB3 SER 33 -8.983 -10.246 2.998 242 HG SER 33 HG SER 33 -8.972 -8.369 0.997 Start of MODEL 25 1 HA ALA 1 HA ALA 1 -16.048 1.974 2.453 2 HB1 ALA 1 HB1 ALA 1 -17.965 1.422 1.051 3 HB2 ALA 1 HB2 ALA 1 -16.629 2.029 0.074 4 HB3 ALA 1 HB3 ALA 1 -18.003 3.074 0.436 5 H SER 2 H SER 2 -14.290 2.762 1.241 6 HA SER 2 HA SER 2 -14.119 5.516 0.448 7 HB2 SER 2 HB2 SER 2 -13.859 5.529 3.029 8 HB3 SER 2 HB3 SER 2 -12.310 4.733 2.746 9 HG SER 2 HG SER 2 -11.823 6.852 2.741 10 HA PRO 3 HA PRO 3 -11.407 2.293 -1.689 11 HB2 PRO 3 HB2 PRO 3 -12.229 4.143 -3.885 12 HB3 PRO 3 HB3 PRO 3 -12.046 2.375 -3.909 13 HG2 PRO 3 HG2 PRO 3 -14.459 3.424 -3.809 14 HG3 PRO 3 HG3 PRO 3 -14.058 2.038 -2.773 15 HD2 PRO 3 HD2 PRO 3 -14.277 4.950 -2.012 16 HD3 PRO 3 HD3 PRO 3 -14.816 3.493 -1.120 17 H GLN 4 H GLN 4 -11.472 5.759 -1.454 18 HA GLN 4 HA GLN 4 -9.012 6.312 -2.738 19 HB2 GLN 4 HB2 GLN 4 -10.475 7.837 -0.579 20 HB3 GLN 4 HB3 GLN 4 -9.050 8.438 -1.412 21 HG2 GLN 4 HG2 GLN 4 -10.320 8.272 -3.564 22 HG3 GLN 4 HG3 GLN 4 -11.754 7.860 -2.627 23 HE21 GLN 4 HE21 GLN 4 -10.941 9.670 -0.432 24 HE22 GLN 4 HE22 GLN 4 -11.285 11.268 -1.006 25 H GLN 5 H GLN 5 -9.850 5.237 0.466 26 HA GLN 5 HA GLN 5 -7.356 5.721 1.704 27 HB2 GLN 5 HB2 GLN 5 -9.506 3.692 2.299 28 HB3 GLN 5 HB3 GLN 5 -8.044 3.826 3.259 29 HG2 GLN 5 HG2 GLN 5 -8.648 6.184 3.765 30 HG3 GLN 5 HG3 GLN 5 -10.168 5.933 2.904 31 HE21 GLN 5 HE21 GLN 5 -11.369 6.345 4.836 32 HE22 GLN 5 HE22 GLN 5 -11.461 5.163 6.096 33 H ALA 6 H ALA 6 -8.610 3.078 -0.197 34 HA ALA 6 HA ALA 6 -6.457 1.296 0.137 35 HB1 ALA 6 HB1 ALA 6 -8.306 1.569 -2.233 36 HB2 ALA 6 HB2 ALA 6 -8.609 0.592 -0.796 37 HB3 ALA 6 HB3 ALA 6 -7.273 0.185 -1.874 38 H LYS 7 H LYS 7 -7.086 3.857 -2.219 39 HA LYS 7 HA LYS 7 -4.777 3.340 -3.781 40 HB2 LYS 7 HB2 LYS 7 -6.728 4.611 -4.636 41 HB3 LYS 7 HB3 LYS 7 -6.330 5.924 -3.537 42 HG2 LYS 7 HG2 LYS 7 -5.560 6.414 -5.784 43 HG3 LYS 7 HG3 LYS 7 -4.186 6.244 -4.662 44 HD2 LYS 7 HD2 LYS 7 -3.903 3.892 -5.448 45 HD3 LYS 7 HD3 LYS 7 -5.187 4.158 -6.631 46 HE2 LYS 7 HE2 LYS 7 -3.000 4.407 -7.688 47 HE3 LYS 7 HE3 LYS 7 -3.839 5.957 -7.650 48 HZ1 LYS 7 HZ1 LYS 7 -1.705 5.092 -5.774 49 HZ2 LYS 7 HZ2 LYS 7 -2.512 6.579 -5.718 50 HZ3 LYS 7 HZ3 LYS 7 -1.527 6.201 -7.039 51 H TYR 8 H TYR 8 -5.422 5.412 -1.012 52 HA TYR 8 HA TYR 8 -2.921 6.724 -0.954 53 HB2 TYR 8 HB2 TYR 8 -4.898 7.471 0.353 54 HB3 TYR 8 HB3 TYR 8 -4.743 6.036 1.367 55 HD1 TYR 8 HD1 TYR 8 -3.092 9.202 0.418 56 HD2 TYR 8 HD2 TYR 8 -3.219 5.963 3.171 57 HE1 TYR 8 HE1 TYR 8 -1.573 10.424 1.916 58 HE2 TYR 8 HE2 TYR 8 -1.700 7.170 4.676 59 HH TYR 8 HH TYR 8 0.014 8.952 4.513 60 H CYS 9 H CYS 9 -4.091 3.726 0.509 61 HA CYS 9 HA CYS 9 -1.757 3.070 1.935 62 HB2 CYS 9 HB2 CYS 9 -3.961 1.944 2.233 63 HB3 CYS 9 HB3 CYS 9 -3.754 1.163 0.660 64 H TYR 10 H TYR 10 -2.803 2.205 -1.347 65 HA TYR 10 HA TYR 10 -0.445 0.740 -1.970 66 HB2 TYR 10 HB2 TYR 10 -2.715 1.844 -3.617 67 HB3 TYR 10 HB3 TYR 10 -1.287 1.155 -4.395 68 HD1 TYR 10 HD1 TYR 10 -0.652 -1.220 -3.827 69 HD2 TYR 10 HD2 TYR 10 -4.438 0.438 -2.830 70 HE1 TYR 10 HE1 TYR 10 -1.576 -3.475 -3.617 71 HE2 TYR 10 HE2 TYR 10 -5.375 -1.820 -2.616 72 HH TYR 10 HH TYR 10 -3.431 -4.615 -2.499 73 H GLU 11 H GLU 11 -1.158 4.134 -2.002 74 HA GLU 11 HA GLU 11 0.960 4.707 -3.866 75 HB2 GLU 11 HB2 GLU 11 0.327 6.942 -3.780 76 HB3 GLU 11 HB3 GLU 11 -1.202 6.098 -3.484 77 HG2 GLU 11 HG2 GLU 11 -1.037 6.559 -1.131 78 HG3 GLU 11 HG3 GLU 11 0.574 7.277 -1.359 79 H GLN 12 H GLN 12 0.496 4.985 -0.341 80 HA GLN 12 HA GLN 12 3.087 6.168 -0.018 81 HB2 GLN 12 HB2 GLN 12 1.113 5.151 2.033 82 HB3 GLN 12 HB3 GLN 12 2.580 6.035 2.411 83 HG2 GLN 12 HG2 GLN 12 0.575 7.203 0.552 84 HG3 GLN 12 HG3 GLN 12 0.310 7.259 2.284 85 HE21 GLN 12 HE21 GLN 12 3.506 7.427 0.898 86 HE22 GLN 12 HE22 GLN 12 3.787 9.088 1.286 87 H CYS 13 H CYS 13 1.842 2.927 0.012 88 HA CYS 13 HA CYS 13 3.592 1.735 1.826 89 HB2 CYS 13 HB2 CYS 13 3.074 -0.386 0.719 90 HB3 CYS 13 HB3 CYS 13 1.609 0.589 0.864 91 H ASN 14 H ASN 14 3.993 2.088 -1.705 92 HA ASN 14 HA ASN 14 6.651 1.034 -1.678 93 HB2 ASN 14 HB2 ASN 14 6.786 1.959 -4.002 94 HB3 ASN 14 HB3 ASN 14 5.407 0.904 -3.737 95 HD21 ASN 14 HD21 ASN 14 3.289 1.849 -3.692 96 HD22 ASN 14 HD22 ASN 14 3.016 3.443 -4.302 97 H VAL 15 H VAL 15 5.300 4.211 -1.269 98 HA VAL 15 HA VAL 15 7.673 5.685 -1.728 99 HB VAL 15 HB VAL 15 5.190 6.396 -0.154 100 HG11 VAL 15 HG11 VAL 15 7.448 8.209 -1.014 101 HG12 VAL 15 HG12 VAL 15 7.117 7.701 0.642 102 HG13 VAL 15 HG13 VAL 15 5.957 8.713 -0.219 103 HG21 VAL 15 HG21 VAL 15 4.786 6.092 -2.533 104 HG22 VAL 15 HG22 VAL 15 6.124 7.172 -2.920 105 HG23 VAL 15 HG23 VAL 15 4.686 7.802 -2.118 106 H ASN 16 H ASN 16 6.230 4.182 1.127 107 HA ASN 16 HA ASN 16 8.168 5.273 2.938 108 HB2 ASN 16 HB2 ASN 16 6.449 2.789 3.280 109 HB3 ASN 16 HB3 ASN 16 7.292 3.666 4.560 110 HD21 ASN 16 HD21 ASN 16 6.597 6.286 3.474 111 HD22 ASN 16 HD22 ASN 16 4.916 6.505 3.833 112 H LYS 17 H LYS 17 7.649 1.802 2.413 113 HA LYS 17 HA LYS 17 9.830 1.214 0.878 114 HB2 LYS 17 HB2 LYS 17 11.480 0.261 2.433 115 HB3 LYS 17 HB3 LYS 17 11.286 2.001 2.672 116 HG2 LYS 17 HG2 LYS 17 9.875 -0.028 4.393 117 HG3 LYS 17 HG3 LYS 17 11.514 0.522 4.743 118 HD2 LYS 17 HD2 LYS 17 10.722 2.836 4.903 119 HD3 LYS 17 HD3 LYS 17 9.063 2.319 4.526 120 HE2 LYS 17 HE2 LYS 17 10.692 1.445 6.924 121 HE3 LYS 17 HE3 LYS 17 9.425 2.668 6.942 122 HZ1 LYS 17 HZ1 LYS 17 7.820 1.001 6.319 123 HZ2 LYS 17 HZ2 LYS 17 8.643 0.496 7.705 124 HZ3 LYS 17 HZ3 LYS 17 9.024 -0.180 6.205 125 H VAL 18 H VAL 18 8.079 -0.192 0.096 126 HA VAL 18 HA VAL 18 8.229 -2.777 1.426 127 HB VAL 18 HB VAL 18 6.009 -3.171 1.892 128 HG11 VAL 18 HG11 VAL 18 6.014 -0.172 2.183 129 HG12 VAL 18 HG12 VAL 18 6.689 -1.323 3.335 130 HG13 VAL 18 HG13 VAL 18 4.955 -1.312 3.016 131 HG21 VAL 18 HG21 VAL 18 5.231 -2.795 -0.374 132 HG22 VAL 18 HG22 VAL 18 5.171 -1.054 -0.080 133 HG23 VAL 18 HG23 VAL 18 4.098 -2.139 0.812 134 HA PRO 19 HA PRO 19 7.970 -4.127 -2.842 135 HB2 PRO 19 HB2 PRO 19 7.375 -6.743 -2.388 136 HB3 PRO 19 HB3 PRO 19 9.009 -6.080 -2.190 137 HG2 PRO 19 HG2 PRO 19 6.945 -6.720 -0.132 138 HG3 PRO 19 HG3 PRO 19 8.705 -6.929 -0.067 139 HD2 PRO 19 HD2 PRO 19 7.374 -4.850 1.130 140 HD3 PRO 19 HD3 PRO 19 9.064 -4.760 0.597 141 H PHE 20 H PHE 20 6.311 -4.781 -4.367 142 HA PHE 20 HA PHE 20 3.803 -3.733 -3.808 143 HB2 PHE 20 HB2 PHE 20 4.659 -4.093 -6.106 144 HB3 PHE 20 HB3 PHE 20 4.400 -5.823 -5.913 145 HD1 PHE 20 HD1 PHE 20 2.226 -6.778 -6.096 146 HD2 PHE 20 HD2 PHE 20 2.737 -2.556 -6.176 147 HE1 PHE 20 HE1 PHE 20 -0.097 -6.517 -6.858 148 HE2 PHE 20 HE2 PHE 20 0.413 -2.286 -6.936 149 HZ PHE 20 HZ PHE 20 -1.008 -4.268 -7.277 150 H ASP 21 H ASP 21 4.847 -7.115 -3.668 151 HA ASP 21 HA ASP 21 2.350 -8.274 -3.170 152 HB2 ASP 21 HB2 ASP 21 3.628 -10.146 -2.140 153 HB3 ASP 21 HB3 ASP 21 4.244 -9.674 -3.720 154 H GLN 22 H GLN 22 4.739 -6.944 -0.883 155 HA GLN 22 HA GLN 22 3.222 -7.511 1.433 156 HB2 GLN 22 HB2 GLN 22 5.612 -6.944 1.541 157 HB3 GLN 22 HB3 GLN 22 5.253 -5.313 0.982 158 HG2 GLN 22 HG2 GLN 22 3.863 -4.977 3.003 159 HG3 GLN 22 HG3 GLN 22 4.373 -6.574 3.568 160 HE21 GLN 22 HE21 GLN 22 4.779 -3.933 4.759 161 HE22 GLN 22 HE22 GLN 22 6.495 -3.761 4.946 162 H CYS 23 H CYS 23 3.312 -4.779 -0.793 163 HA CYS 23 HA CYS 23 1.610 -3.061 0.659 164 HB2 CYS 23 HB2 CYS 23 2.945 -2.409 -1.413 165 HB3 CYS 23 HB3 CYS 23 1.712 -3.239 -2.365 166 H TYR 24 H TYR 24 0.925 -5.569 -1.745 167 HA TYR 24 HA TYR 24 -1.869 -5.286 -1.729 168 HB2 TYR 24 HB2 TYR 24 -0.424 -6.686 -3.346 169 HB3 TYR 24 HB3 TYR 24 -0.469 -7.942 -2.096 170 HD1 TYR 24 HD1 TYR 24 -2.634 -8.976 -1.466 171 HD2 TYR 24 HD2 TYR 24 -2.316 -6.241 -4.704 172 HE1 TYR 24 HE1 TYR 24 -4.820 -9.717 -2.299 173 HE2 TYR 24 HE2 TYR 24 -4.503 -6.972 -5.547 174 HH TYR 24 HH TYR 24 -6.678 -8.713 -3.727 175 H GLN 25 H GLN 25 0.325 -6.991 0.422 176 HA GLN 25 HA GLN 25 -1.652 -8.597 1.692 177 HB2 GLN 25 HB2 GLN 25 1.120 -7.728 2.544 178 HB3 GLN 25 HB3 GLN 25 0.107 -8.731 3.566 179 HG2 GLN 25 HG2 GLN 25 0.110 -10.508 1.914 180 HG3 GLN 25 HG3 GLN 25 0.993 -9.500 0.772 181 HE21 GLN 25 HE21 GLN 25 3.165 -9.198 1.031 182 HE22 GLN 25 HE22 GLN 25 4.119 -10.099 2.158 183 H MET 26 H MET 26 -0.301 -5.414 2.392 184 HA MET 26 HA MET 26 -1.709 -5.233 4.899 185 HB2 MET 26 HB2 MET 26 0.431 -4.171 4.783 186 HB3 MET 26 HB3 MET 26 -0.015 -3.307 3.321 187 HG2 MET 26 HG2 MET 26 -1.639 -1.981 4.610 188 HG3 MET 26 HG3 MET 26 -1.142 -2.826 6.077 189 HE1 MET 26 HE1 MET 26 1.354 -1.749 3.170 190 HE2 MET 26 HE2 MET 26 1.715 -0.099 3.665 191 HE3 MET 26 HE3 MET 26 0.088 -0.521 3.133 192 H CYS 27 H CYS 27 -2.093 -3.890 1.646 193 HA CYS 27 HA CYS 27 -4.227 -2.154 2.532 194 HB2 CYS 27 HB2 CYS 27 -3.328 -2.692 -0.316 195 HB3 CYS 27 HB3 CYS 27 -4.270 -1.309 0.281 196 H SER 28 H SER 28 -4.098 -5.401 1.363 197 HA SER 28 HA SER 28 -6.509 -5.427 -0.065 198 HB2 SER 28 HB2 SER 28 -6.486 -7.950 0.439 199 HB3 SER 28 HB3 SER 28 -5.161 -7.263 -0.510 200 HG SER 28 HG SER 28 -3.804 -7.574 1.111 201 HA PRO 29 HA PRO 29 -8.791 -6.920 3.993 202 HB2 PRO 29 HB2 PRO 29 -7.079 -5.558 6.012 203 HB3 PRO 29 HB3 PRO 29 -7.942 -7.105 6.126 204 HG2 PRO 29 HG2 PRO 29 -5.310 -7.104 5.799 205 HG3 PRO 29 HG3 PRO 29 -6.323 -8.252 4.886 206 HD2 PRO 29 HD2 PRO 29 -5.076 -5.669 3.954 207 HD3 PRO 29 HD3 PRO 29 -5.173 -7.242 3.121 208 H LEU 30 H LEU 30 -7.182 -3.909 3.484 209 HA LEU 30 HA LEU 30 -9.109 -2.218 4.758 210 HB2 LEU 30 HB2 LEU 30 -6.669 -1.658 4.213 211 HB3 LEU 30 HB3 LEU 30 -7.194 -1.484 2.529 212 HG LEU 30 HG LEU 30 -8.152 0.212 4.862 213 HD11 LEU 30 HD11 LEU 30 -6.831 1.982 3.765 214 HD12 LEU 30 HD12 LEU 30 -6.222 0.787 2.618 215 HD13 LEU 30 HD13 LEU 30 -5.830 0.644 4.332 216 HD21 LEU 30 HD21 LEU 30 -9.825 -0.030 3.044 217 HD22 LEU 30 HD22 LEU 30 -8.626 0.574 1.896 218 HD23 LEU 30 HD23 LEU 30 -9.207 1.617 3.195 219 H GLU 31 H GLU 31 -8.328 -2.989 1.404 220 HA GLU 31 HA GLU 31 -10.549 -1.620 0.283 221 HB2 GLU 31 HB2 GLU 31 -8.341 -2.267 -0.854 222 HB3 GLU 31 HB3 GLU 31 -9.029 -3.888 -1.014 223 HG2 GLU 31 HG2 GLU 31 -10.291 -1.398 -2.175 224 HG3 GLU 31 HG3 GLU 31 -9.193 -2.462 -3.060 225 H ARG 32 H ARG 32 -9.945 -5.008 1.095 226 HA ARG 32 HA ARG 32 -12.825 -5.493 0.885 227 HB2 ARG 32 HB2 ARG 32 -11.537 -6.208 -1.232 228 HB3 ARG 32 HB3 ARG 32 -10.781 -7.438 -0.214 229 HG2 ARG 32 HG2 ARG 32 -12.588 -8.473 -1.402 230 HG3 ARG 32 HG3 ARG 32 -13.052 -8.342 0.294 231 HD2 ARG 32 HD2 ARG 32 -14.735 -7.709 -1.605 232 HD3 ARG 32 HD3 ARG 32 -14.670 -6.758 -0.129 233 HE ARG 32 HE ARG 32 -12.936 -5.463 -1.763 234 HH11 ARG 32 HH11 ARG 32 -16.226 -6.568 -2.209 235 HH12 ARG 32 HH12 ARG 32 -16.655 -5.261 -3.265 236 HH21 ARG 32 HH21 ARG 32 -13.496 -3.725 -3.130 237 HH22 ARG 32 HH22 ARG 32 -15.105 -3.652 -3.797 238 H SER 33 H SER 33 -13.218 -5.842 2.997 239 HA SER 33 HA SER 33 -11.526 -7.783 4.416 240 HB2 SER 33 HB2 SER 33 -12.842 -6.796 6.454 241 HB3 SER 33 HB3 SER 33 -11.548 -5.837 5.733 242 HG SER 33 HG SER 33 -14.107 -5.194 6.016 Start of MODEL 26 1 HA ALA 1 HA ALA 1 -15.480 0.498 1.341 2 HB1 ALA 1 HB1 ALA 1 -15.093 0.706 -1.051 3 HB2 ALA 1 HB2 ALA 1 -16.608 1.588 -1.234 4 HB3 ALA 1 HB3 ALA 1 -16.627 -0.104 -0.739 5 H SER 2 H SER 2 -13.679 1.820 -0.002 6 HA SER 2 HA SER 2 -13.841 4.674 0.230 7 HB2 SER 2 HB2 SER 2 -13.553 3.906 2.659 8 HB3 SER 2 HB3 SER 2 -11.958 3.322 2.186 9 HG SER 2 HG SER 2 -12.245 5.585 3.073 10 HA PRO 3 HA PRO 3 -10.884 2.752 -2.863 11 HB2 PRO 3 HB2 PRO 3 -11.844 5.221 -4.240 12 HB3 PRO 3 HB3 PRO 3 -11.553 3.595 -4.904 13 HG2 PRO 3 HG2 PRO 3 -14.027 4.399 -4.465 14 HG3 PRO 3 HG3 PRO 3 -13.535 2.751 -4.022 15 HD2 PRO 3 HD2 PRO 3 -13.941 5.137 -2.221 16 HD3 PRO 3 HD3 PRO 3 -14.365 3.416 -1.956 17 H GLN 4 H GLN 4 -11.239 5.997 -1.559 18 HA GLN 4 HA GLN 4 -8.769 6.958 -2.622 19 HB2 GLN 4 HB2 GLN 4 -10.515 8.066 -0.425 20 HB3 GLN 4 HB3 GLN 4 -9.095 8.879 -1.069 21 HG2 GLN 4 HG2 GLN 4 -11.581 8.172 -2.632 22 HG3 GLN 4 HG3 GLN 4 -11.147 9.777 -2.050 23 HE21 GLN 4 HE21 GLN 4 -8.310 9.440 -2.679 24 HE22 GLN 4 HE22 GLN 4 -8.185 9.543 -4.406 25 H GLN 5 H GLN 5 -9.765 5.683 0.523 26 HA GLN 5 HA GLN 5 -7.245 6.157 1.742 27 HB2 GLN 5 HB2 GLN 5 -8.059 5.119 3.643 28 HB3 GLN 5 HB3 GLN 5 -9.537 5.682 2.885 29 HG2 GLN 5 HG2 GLN 5 -9.937 3.453 1.986 30 HG3 GLN 5 HG3 GLN 5 -8.441 2.884 2.719 31 HE21 GLN 5 HE21 GLN 5 -8.885 4.537 5.133 32 HE22 GLN 5 HE22 GLN 5 -10.111 3.713 6.035 33 H ALA 6 H ALA 6 -8.650 3.463 0.021 34 HA ALA 6 HA ALA 6 -6.538 1.632 0.485 35 HB1 ALA 6 HB1 ALA 6 -8.488 1.741 -1.815 36 HB2 ALA 6 HB2 ALA 6 -8.720 0.874 -0.297 37 HB3 ALA 6 HB3 ALA 6 -7.446 0.378 -1.414 38 H LYS 7 H LYS 7 -7.178 4.005 -2.056 39 HA LYS 7 HA LYS 7 -4.971 3.348 -3.689 40 HB2 LYS 7 HB2 LYS 7 -6.975 4.773 -4.319 41 HB3 LYS 7 HB3 LYS 7 -6.230 6.081 -3.416 42 HG2 LYS 7 HG2 LYS 7 -5.764 6.366 -5.749 43 HG3 LYS 7 HG3 LYS 7 -4.256 5.954 -4.892 44 HD2 LYS 7 HD2 LYS 7 -4.398 4.690 -6.992 45 HD3 LYS 7 HD3 LYS 7 -4.518 3.595 -5.613 46 HE2 LYS 7 HE2 LYS 7 -6.958 3.520 -5.877 47 HE3 LYS 7 HE3 LYS 7 -6.843 4.644 -7.230 48 HZ1 LYS 7 HZ1 LYS 7 -5.728 1.900 -7.123 49 HZ2 LYS 7 HZ2 LYS 7 -5.495 2.979 -8.401 50 HZ3 LYS 7 HZ3 LYS 7 -7.047 2.416 -8.045 51 H TYR 8 H TYR 8 -5.367 5.477 -0.927 52 HA TYR 8 HA TYR 8 -2.823 6.699 -1.001 53 HB2 TYR 8 HB2 TYR 8 -4.741 7.520 0.364 54 HB3 TYR 8 HB3 TYR 8 -4.547 6.117 1.416 55 HD1 TYR 8 HD1 TYR 8 -2.976 9.259 0.303 56 HD2 TYR 8 HD2 TYR 8 -2.876 6.062 3.105 57 HE1 TYR 8 HE1 TYR 8 -1.376 10.521 1.678 58 HE2 TYR 8 HE2 TYR 8 -1.273 7.309 4.486 59 HH TYR 8 HH TYR 8 -0.627 10.606 4.016 60 H CYS 9 H CYS 9 -4.044 3.757 0.492 61 HA CYS 9 HA CYS 9 -1.756 3.046 1.958 62 HB2 CYS 9 HB2 CYS 9 -4.016 2.009 2.231 63 HB3 CYS 9 HB3 CYS 9 -3.786 1.170 0.691 64 H TYR 10 H TYR 10 -2.778 2.104 -1.321 65 HA TYR 10 HA TYR 10 -0.442 0.568 -1.865 66 HB2 TYR 10 HB2 TYR 10 -2.574 1.762 -3.646 67 HB3 TYR 10 HB3 TYR 10 -1.195 0.871 -4.294 68 HD1 TYR 10 HD1 TYR 10 -0.897 -1.525 -3.660 69 HD2 TYR 10 HD2 TYR 10 -4.455 0.628 -2.760 70 HE1 TYR 10 HE1 TYR 10 -2.104 -3.643 -3.390 71 HE2 TYR 10 HE2 TYR 10 -5.667 -1.481 -2.482 72 HH TYR 10 HH TYR 10 -5.451 -3.841 -3.307 73 H GLU 11 H GLU 11 -1.147 3.948 -2.014 74 HA GLU 11 HA GLU 11 0.918 4.642 -3.845 75 HB2 GLU 11 HB2 GLU 11 -1.108 6.077 -3.231 76 HB3 GLU 11 HB3 GLU 11 -0.234 6.452 -1.727 77 HG2 GLU 11 HG2 GLU 11 0.088 8.217 -3.342 78 HG3 GLU 11 HG3 GLU 11 1.620 7.361 -3.043 79 H GLN 12 H GLN 12 0.621 5.097 -0.326 80 HA GLN 12 HA GLN 12 3.306 6.039 -0.146 81 HB2 GLN 12 HB2 GLN 12 1.282 5.359 1.993 82 HB3 GLN 12 HB3 GLN 12 2.825 6.139 2.298 83 HG2 GLN 12 HG2 GLN 12 0.952 7.334 0.322 84 HG3 GLN 12 HG3 GLN 12 0.649 7.538 2.041 85 HE21 GLN 12 HE21 GLN 12 3.889 7.306 0.794 86 HE22 GLN 12 HE22 GLN 12 4.311 8.966 1.048 87 H CYS 13 H CYS 13 1.930 2.905 -0.032 88 HA CYS 13 HA CYS 13 3.505 1.678 1.925 89 HB2 CYS 13 HB2 CYS 13 2.917 -0.447 0.884 90 HB3 CYS 13 HB3 CYS 13 1.511 0.623 0.818 91 H ASN 14 H ASN 14 4.107 1.690 -1.613 92 HA ASN 14 HA ASN 14 6.772 0.691 -1.226 93 HB2 ASN 14 HB2 ASN 14 7.041 0.976 -3.649 94 HB3 ASN 14 HB3 ASN 14 5.531 0.165 -3.274 95 HD21 ASN 14 HD21 ASN 14 6.960 3.169 -4.442 96 HD22 ASN 14 HD22 ASN 14 5.490 3.803 -5.097 97 H VAL 15 H VAL 15 5.348 3.855 -1.502 98 HA VAL 15 HA VAL 15 7.652 5.321 -2.159 99 HB VAL 15 HB VAL 15 5.231 6.164 -0.555 100 HG11 VAL 15 HG11 VAL 15 7.122 7.594 0.013 101 HG12 VAL 15 HG12 VAL 15 5.954 8.479 -0.970 102 HG13 VAL 15 HG13 VAL 15 7.443 7.875 -1.698 103 HG21 VAL 15 HG21 VAL 15 4.567 7.307 -2.621 104 HG22 VAL 15 HG22 VAL 15 4.744 5.571 -2.879 105 HG23 VAL 15 HG23 VAL 15 6.002 6.677 -3.430 106 H ASN 16 H ASN 16 6.308 4.334 0.980 107 HA ASN 16 HA ASN 16 8.398 5.593 2.476 108 HB2 ASN 16 HB2 ASN 16 6.482 3.367 3.258 109 HB3 ASN 16 HB3 ASN 16 7.544 4.236 4.376 110 HD21 ASN 16 HD21 ASN 16 4.639 4.114 4.457 111 HD22 ASN 16 HD22 ASN 16 4.087 5.743 4.299 112 H LYS 17 H LYS 17 7.723 2.088 2.521 113 HA LYS 17 HA LYS 17 9.749 1.303 0.847 114 HB2 LYS 17 HB2 LYS 17 11.516 0.456 2.285 115 HB3 LYS 17 HB3 LYS 17 11.332 2.199 2.497 116 HG2 LYS 17 HG2 LYS 17 10.193 0.136 4.388 117 HG3 LYS 17 HG3 LYS 17 11.778 0.885 4.587 118 HD2 LYS 17 HD2 LYS 17 10.689 3.113 4.661 119 HD3 LYS 17 HD3 LYS 17 9.098 2.327 4.578 120 HE2 LYS 17 HE2 LYS 17 9.631 2.849 6.884 121 HE3 LYS 17 HE3 LYS 17 9.660 1.101 6.664 122 HZ1 LYS 17 HZ1 LYS 17 12.061 2.850 6.677 123 HZ2 LYS 17 HZ2 LYS 17 12.051 1.161 6.567 124 HZ3 LYS 17 HZ3 LYS 17 11.534 1.919 7.986 125 H VAL 18 H VAL 18 7.831 -0.017 0.356 126 HA VAL 18 HA VAL 18 8.234 -2.606 1.614 127 HB VAL 18 HB VAL 18 6.105 -3.094 2.322 128 HG11 VAL 18 HG11 VAL 18 6.821 -1.222 3.706 129 HG12 VAL 18 HG12 VAL 18 5.067 -1.272 3.541 130 HG13 VAL 18 HG13 VAL 18 6.005 -0.094 2.621 131 HG21 VAL 18 HG21 VAL 18 4.039 -2.149 1.457 132 HG22 VAL 18 HG22 VAL 18 5.065 -2.763 0.157 133 HG23 VAL 18 HG23 VAL 18 4.963 -1.028 0.454 134 HA PRO 19 HA PRO 19 7.845 -3.842 -2.687 135 HB2 PRO 19 HB2 PRO 19 6.992 -6.455 -1.607 136 HB3 PRO 19 HB3 PRO 19 8.384 -6.067 -2.635 137 HG2 PRO 19 HG2 PRO 19 8.700 -6.729 -0.055 138 HG3 PRO 19 HG3 PRO 19 9.733 -5.529 -0.854 139 HD2 PRO 19 HD2 PRO 19 7.431 -5.084 1.022 140 HD3 PRO 19 HD3 PRO 19 8.991 -4.234 0.902 141 H PHE 20 H PHE 20 6.157 -4.341 -4.183 142 HA PHE 20 HA PHE 20 3.609 -3.416 -3.487 143 HB2 PHE 20 HB2 PHE 20 4.518 -3.461 -5.815 144 HB3 PHE 20 HB3 PHE 20 4.260 -5.202 -5.843 145 HD1 PHE 20 HD1 PHE 20 2.047 -6.136 -6.032 146 HD2 PHE 20 HD2 PHE 20 2.637 -1.926 -5.842 147 HE1 PHE 20 HE1 PHE 20 -0.270 -5.781 -6.784 148 HE2 PHE 20 HE2 PHE 20 0.320 -1.562 -6.590 149 HZ PHE 20 HZ PHE 20 -1.136 -3.493 -7.059 150 H ASP 21 H ASP 21 4.823 -6.740 -3.713 151 HA ASP 21 HA ASP 21 2.353 -8.033 -3.332 152 HB2 ASP 21 HB2 ASP 21 3.606 -9.999 -2.719 153 HB3 ASP 21 HB3 ASP 21 4.445 -9.199 -4.042 154 H GLN 22 H GLN 22 4.588 -6.553 -1.089 155 HA GLN 22 HA GLN 22 3.234 -7.450 1.266 156 HB2 GLN 22 HB2 GLN 22 5.603 -6.764 1.287 157 HB3 GLN 22 HB3 GLN 22 5.120 -5.115 0.903 158 HG2 GLN 22 HG2 GLN 22 5.542 -5.236 3.233 159 HG3 GLN 22 HG3 GLN 22 3.793 -5.086 3.006 160 HE21 GLN 22 HE21 GLN 22 6.401 -7.188 3.951 161 HE22 GLN 22 HE22 GLN 22 5.414 -8.393 4.709 162 H CYS 23 H CYS 23 3.152 -4.515 -0.756 163 HA CYS 23 HA CYS 23 1.289 -3.029 0.683 164 HB2 CYS 23 HB2 CYS 23 1.362 -3.299 -2.343 165 HB3 CYS 23 HB3 CYS 23 0.629 -1.988 -1.432 166 H TYR 24 H TYR 24 0.816 -5.660 -1.607 167 HA TYR 24 HA TYR 24 -1.966 -5.614 -1.754 168 HB2 TYR 24 HB2 TYR 24 -0.368 -6.945 -3.212 169 HB3 TYR 24 HB3 TYR 24 -0.250 -8.109 -1.882 170 HD1 TYR 24 HD1 TYR 24 -2.247 -6.903 -4.644 171 HD2 TYR 24 HD2 TYR 24 -2.259 -9.399 -1.207 172 HE1 TYR 24 HE1 TYR 24 -4.251 -8.048 -5.489 173 HE2 TYR 24 HE2 TYR 24 -4.258 -10.548 -2.033 174 HH TYR 24 HH TYR 24 -6.135 -10.112 -3.546 175 H GLN 25 H GLN 25 0.180 -7.109 0.625 176 HA GLN 25 HA GLN 25 -1.912 -8.715 1.756 177 HB2 GLN 25 HB2 GLN 25 0.921 -8.126 2.597 178 HB3 GLN 25 HB3 GLN 25 -0.175 -9.030 3.636 179 HG2 GLN 25 HG2 GLN 25 0.685 -9.814 0.840 180 HG3 GLN 25 HG3 GLN 25 1.179 -10.573 2.353 181 HE21 GLN 25 HE21 GLN 25 -0.289 -11.862 3.469 182 HE22 GLN 25 HE22 GLN 25 -1.726 -12.471 2.724 183 H MET 26 H MET 26 -0.675 -5.528 2.344 184 HA MET 26 HA MET 26 -2.167 -5.328 4.827 185 HB2 MET 26 HB2 MET 26 -0.051 -4.252 4.897 186 HB3 MET 26 HB3 MET 26 -0.328 -3.459 3.357 187 HG2 MET 26 HG2 MET 26 -2.046 -2.050 4.381 188 HG3 MET 26 HG3 MET 26 -1.778 -2.850 5.930 189 HE1 MET 26 HE1 MET 26 1.540 -0.368 3.865 190 HE2 MET 26 HE2 MET 26 0.025 -0.802 3.071 191 HE3 MET 26 HE3 MET 26 1.211 -2.049 3.456 192 H CYS 27 H CYS 27 -2.223 -3.885 1.576 193 HA CYS 27 HA CYS 27 -4.428 -2.179 2.328 194 HB2 CYS 27 HB2 CYS 27 -3.222 -2.509 -0.429 195 HB3 CYS 27 HB3 CYS 27 -4.170 -1.144 0.193 196 H SER 28 H SER 28 -4.077 -5.172 0.447 197 HA SER 28 HA SER 28 -6.568 -4.959 -0.848 198 HB2 SER 28 HB2 SER 28 -4.922 -7.412 -0.255 199 HB3 SER 28 HB3 SER 28 -6.402 -7.426 -1.223 200 HG SER 28 HG SER 28 -4.637 -5.475 -1.986 201 HA PRO 29 HA PRO 29 -8.384 -7.616 2.917 202 HB2 PRO 29 HB2 PRO 29 -6.442 -6.472 4.887 203 HB3 PRO 29 HB3 PRO 29 -7.299 -8.027 4.932 204 HG2 PRO 29 HG2 PRO 29 -4.755 -7.991 4.229 205 HG3 PRO 29 HG3 PRO 29 -5.909 -8.986 3.303 206 HD2 PRO 29 HD2 PRO 29 -4.698 -6.327 2.590 207 HD3 PRO 29 HD3 PRO 29 -5.034 -7.733 1.554 208 H LEU 30 H LEU 30 -6.733 -4.549 3.545 209 HA LEU 30 HA LEU 30 -8.642 -3.164 4.992 210 HB2 LEU 30 HB2 LEU 30 -6.279 -2.445 4.289 211 HB3 LEU 30 HB3 LEU 30 -6.998 -1.981 2.738 212 HG LEU 30 HG LEU 30 -7.545 -0.736 5.453 213 HD11 LEU 30 HD11 LEU 30 -6.223 0.317 2.950 214 HD12 LEU 30 HD12 LEU 30 -5.410 -0.116 4.458 215 HD13 LEU 30 HD13 LEU 30 -6.533 1.245 4.419 216 HD21 LEU 30 HD21 LEU 30 -9.596 -0.757 4.087 217 HD22 LEU 30 HD22 LEU 30 -8.716 0.022 2.770 218 HD23 LEU 30 HD23 LEU 30 -8.955 0.874 4.297 219 H GLU 31 H GLU 31 -8.228 -3.285 1.494 220 HA GLU 31 HA GLU 31 -10.467 -1.642 0.918 221 HB2 GLU 31 HB2 GLU 31 -8.487 -1.896 -0.569 222 HB3 GLU 31 HB3 GLU 31 -9.005 -3.549 -0.925 223 HG2 GLU 31 HG2 GLU 31 -11.152 -2.570 -1.800 224 HG3 GLU 31 HG3 GLU 31 -10.392 -0.978 -1.670 225 H ARG 32 H ARG 32 -10.040 -5.143 1.076 226 HA ARG 32 HA ARG 32 -12.928 -5.414 0.536 227 HB2 ARG 32 HB2 ARG 32 -10.724 -7.270 -0.415 228 HB3 ARG 32 HB3 ARG 32 -12.446 -7.605 -0.574 229 HG2 ARG 32 HG2 ARG 32 -11.099 -5.191 -1.821 230 HG3 ARG 32 HG3 ARG 32 -11.260 -6.732 -2.656 231 HD2 ARG 32 HD2 ARG 32 -12.996 -5.237 -3.377 232 HD3 ARG 32 HD3 ARG 32 -13.731 -6.536 -2.451 233 HE ARG 32 HE ARG 32 -13.180 -4.279 -0.801 234 HH11 ARG 32 HH11 ARG 32 -15.395 -5.471 -3.231 235 HH12 ARG 32 HH12 ARG 32 -16.703 -4.451 -2.728 236 HH21 ARG 32 HH21 ARG 32 -14.908 -2.938 -0.126 237 HH22 ARG 32 HH22 ARG 32 -16.429 -3.020 -0.955 238 H SER 33 H SER 33 -13.093 -5.343 2.872 239 HA SER 33 HA SER 33 -12.922 -8.080 3.909 240 HB2 SER 33 HB2 SER 33 -12.560 -6.870 6.230 241 HB3 SER 33 HB3 SER 33 -11.177 -7.189 5.180 242 HG SER 33 HG SER 33 -10.996 -5.119 4.732 Start of MODEL 27 1 HA ALA 1 HA ALA 1 -17.184 1.377 -0.549 2 HB1 ALA 1 HB1 ALA 1 -15.828 0.551 1.303 3 HB2 ALA 1 HB2 ALA 1 -14.532 0.139 0.180 4 HB3 ALA 1 HB3 ALA 1 -16.077 -0.708 0.093 5 H SER 2 H SER 2 -13.658 1.894 -0.844 6 HA SER 2 HA SER 2 -14.030 4.762 -0.591 7 HB2 SER 2 HB2 SER 2 -12.395 4.840 1.371 8 HB3 SER 2 HB3 SER 2 -13.987 4.186 1.767 9 HG SER 2 HG SER 2 -12.092 2.342 0.925 10 HA PRO 3 HA PRO 3 -10.761 3.146 -3.556 11 HB2 PRO 3 HB2 PRO 3 -11.556 5.788 -4.712 12 HB3 PRO 3 HB3 PRO 3 -11.183 4.257 -5.540 13 HG2 PRO 3 HG2 PRO 3 -13.694 4.991 -5.270 14 HG3 PRO 3 HG3 PRO 3 -13.231 3.305 -4.953 15 HD2 PRO 3 HD2 PRO 3 -13.851 5.486 -2.965 16 HD3 PRO 3 HD3 PRO 3 -14.272 3.744 -2.924 17 H GLN 4 H GLN 4 -11.146 6.365 -2.130 18 HA GLN 4 HA GLN 4 -8.516 7.245 -2.728 19 HB2 GLN 4 HB2 GLN 4 -10.458 8.186 -0.614 20 HB3 GLN 4 HB3 GLN 4 -8.929 8.977 -0.963 21 HG2 GLN 4 HG2 GLN 4 -9.705 9.392 -3.282 22 HG3 GLN 4 HG3 GLN 4 -11.259 8.677 -2.861 23 HE21 GLN 4 HE21 GLN 4 -9.422 10.633 -0.636 24 HE22 GLN 4 HE22 GLN 4 -10.493 11.991 -0.640 25 H GLN 5 H GLN 5 -9.922 5.568 0.001 26 HA GLN 5 HA GLN 5 -7.631 5.780 1.669 27 HB2 GLN 5 HB2 GLN 5 -9.969 3.873 1.722 28 HB3 GLN 5 HB3 GLN 5 -8.682 3.847 2.917 29 HG2 GLN 5 HG2 GLN 5 -10.165 6.391 2.400 30 HG3 GLN 5 HG3 GLN 5 -10.882 5.141 3.413 31 HE21 GLN 5 HE21 GLN 5 -7.426 5.585 3.334 32 HE22 GLN 5 HE22 GLN 5 -7.285 6.278 4.909 33 H ALA 6 H ALA 6 -8.834 3.276 -0.502 34 HA ALA 6 HA ALA 6 -6.738 1.443 -0.074 35 HB1 ALA 6 HB1 ALA 6 -8.840 0.815 -1.178 36 HB2 ALA 6 HB2 ALA 6 -7.434 0.400 -2.161 37 HB3 ALA 6 HB3 ALA 6 -8.400 1.814 -2.564 38 H LYS 7 H LYS 7 -7.153 4.074 -2.392 39 HA LYS 7 HA LYS 7 -4.789 3.533 -3.854 40 HB2 LYS 7 HB2 LYS 7 -6.832 4.993 -4.495 41 HB3 LYS 7 HB3 LYS 7 -6.022 6.266 -3.597 42 HG2 LYS 7 HG2 LYS 7 -5.554 6.484 -5.948 43 HG3 LYS 7 HG3 LYS 7 -4.061 6.053 -5.076 44 HD2 LYS 7 HD2 LYS 7 -4.216 3.768 -5.806 45 HD3 LYS 7 HD3 LYS 7 -5.843 4.015 -6.444 46 HE2 LYS 7 HE2 LYS 7 -4.218 3.946 -8.267 47 HE3 LYS 7 HE3 LYS 7 -4.929 5.553 -8.136 48 HZ1 LYS 7 HZ1 LYS 7 -2.540 5.636 -8.481 49 HZ2 LYS 7 HZ2 LYS 7 -2.282 4.757 -7.060 50 HZ3 LYS 7 HZ3 LYS 7 -2.956 6.306 -6.986 51 H TYR 8 H TYR 8 -5.495 5.445 -0.996 52 HA TYR 8 HA TYR 8 -2.989 6.755 -0.836 53 HB2 TYR 8 HB2 TYR 8 -5.065 7.478 0.376 54 HB3 TYR 8 HB3 TYR 8 -4.857 6.089 1.445 55 HD1 TYR 8 HD1 TYR 8 -3.193 9.199 0.297 56 HD2 TYR 8 HD2 TYR 8 -3.477 6.232 3.330 57 HE1 TYR 8 HE1 TYR 8 -1.725 10.543 1.739 58 HE2 TYR 8 HE2 TYR 8 -2.013 7.567 4.784 59 HH TYR 8 HH TYR 8 -0.255 9.319 4.512 60 H CYS 9 H CYS 9 -4.276 3.775 0.560 61 HA CYS 9 HA CYS 9 -2.040 3.081 2.116 62 HB2 CYS 9 HB2 CYS 9 -4.288 1.999 2.297 63 HB3 CYS 9 HB3 CYS 9 -3.991 1.180 0.757 64 H TYR 10 H TYR 10 -2.912 2.200 -1.214 65 HA TYR 10 HA TYR 10 -0.537 0.695 -1.692 66 HB2 TYR 10 HB2 TYR 10 -2.686 1.825 -3.490 67 HB3 TYR 10 HB3 TYR 10 -1.242 1.055 -4.156 68 HD1 TYR 10 HD1 TYR 10 -4.480 0.512 -2.645 69 HD2 TYR 10 HD2 TYR 10 -0.763 -1.319 -3.588 70 HE1 TYR 10 HE1 TYR 10 -5.512 -1.698 -2.395 71 HE2 TYR 10 HE2 TYR 10 -1.780 -3.526 -3.342 72 HH TYR 10 HH TYR 10 -3.682 -4.572 -2.214 73 H GLU 11 H GLU 11 -1.222 4.049 -1.719 74 HA GLU 11 HA GLU 11 0.869 4.839 -3.493 75 HB2 GLU 11 HB2 GLU 11 -1.125 6.262 -2.910 76 HB3 GLU 11 HB3 GLU 11 -0.420 6.456 -1.289 77 HG2 GLU 11 HG2 GLU 11 0.034 8.390 -2.678 78 HG3 GLU 11 HG3 GLU 11 1.532 7.532 -2.248 79 H GLN 12 H GLN 12 0.504 5.119 0.030 80 HA GLN 12 HA GLN 12 3.147 6.117 0.314 81 HB2 GLN 12 HB2 GLN 12 1.219 5.182 2.446 82 HB3 GLN 12 HB3 GLN 12 2.670 6.126 2.714 83 HG2 GLN 12 HG2 GLN 12 0.590 7.147 0.853 84 HG3 GLN 12 HG3 GLN 12 0.352 7.277 2.587 85 HE21 GLN 12 HE21 GLN 12 3.526 7.456 1.185 86 HE22 GLN 12 HE22 GLN 12 3.765 9.151 1.447 87 H CYS 13 H CYS 13 1.909 2.931 0.191 88 HA CYS 13 HA CYS 13 3.628 1.663 2.030 89 HB2 CYS 13 HB2 CYS 13 3.045 -0.424 0.885 90 HB3 CYS 13 HB3 CYS 13 1.601 0.579 1.063 91 H ASN 14 H ASN 14 3.948 1.855 -1.541 92 HA ASN 14 HA ASN 14 6.656 0.932 -1.451 93 HB2 ASN 14 HB2 ASN 14 6.709 1.631 -3.871 94 HB3 ASN 14 HB3 ASN 14 5.427 0.505 -3.452 95 HD21 ASN 14 HD21 ASN 14 6.104 3.898 -4.244 96 HD22 ASN 14 HD22 ASN 14 4.476 4.275 -4.696 97 H VAL 15 H VAL 15 5.151 4.070 -1.335 98 HA VAL 15 HA VAL 15 7.390 5.633 -1.977 99 HB VAL 15 HB VAL 15 5.026 6.271 -0.206 100 HG11 VAL 15 HG11 VAL 15 6.894 7.678 0.464 101 HG12 VAL 15 HG12 VAL 15 5.701 8.634 -0.414 102 HG13 VAL 15 HG13 VAL 15 7.185 8.126 -1.215 103 HG21 VAL 15 HG21 VAL 15 5.704 7.079 -3.038 104 HG22 VAL 15 HG22 VAL 15 4.299 7.630 -2.125 105 HG23 VAL 15 HG23 VAL 15 4.458 5.927 -2.553 106 H ASN 16 H ASN 16 6.351 4.150 1.073 107 HA ASN 16 HA ASN 16 8.521 5.348 2.547 108 HB2 ASN 16 HB2 ASN 16 6.770 2.959 3.240 109 HB3 ASN 16 HB3 ASN 16 7.896 3.757 4.343 110 HD21 ASN 16 HD21 ASN 16 7.231 6.410 3.282 111 HD22 ASN 16 HD22 ASN 16 5.684 6.797 3.952 112 H LYS 17 H LYS 17 7.941 1.853 2.311 113 HA LYS 17 HA LYS 17 9.740 1.239 0.346 114 HB2 LYS 17 HB2 LYS 17 11.708 0.350 1.456 115 HB3 LYS 17 HB3 LYS 17 11.521 2.065 1.835 116 HG2 LYS 17 HG2 LYS 17 10.661 -0.151 3.695 117 HG3 LYS 17 HG3 LYS 17 12.276 0.559 3.715 118 HD2 LYS 17 HD2 LYS 17 11.312 2.768 4.177 119 HD3 LYS 17 HD3 LYS 17 9.676 2.072 4.176 120 HE2 LYS 17 HE2 LYS 17 11.933 1.343 6.063 121 HE3 LYS 17 HE3 LYS 17 10.547 2.357 6.458 122 HZ1 LYS 17 HZ1 LYS 17 9.097 0.474 6.092 123 HZ2 LYS 17 HZ2 LYS 17 10.272 0.076 7.238 124 HZ3 LYS 17 HZ3 LYS 17 10.407 -0.502 5.657 125 H VAL 18 H VAL 18 7.869 -0.165 -0.042 126 HA VAL 18 HA VAL 18 8.316 -2.709 1.328 127 HB VAL 18 HB VAL 18 6.152 -3.174 1.963 128 HG11 VAL 18 HG11 VAL 18 6.181 -0.172 2.254 129 HG12 VAL 18 HG12 VAL 18 6.944 -1.332 3.343 130 HG13 VAL 18 HG13 VAL 18 5.188 -1.306 3.174 131 HG21 VAL 18 HG21 VAL 18 5.108 -1.076 0.071 132 HG22 VAL 18 HG22 VAL 18 4.132 -2.153 1.076 133 HG23 VAL 18 HG23 VAL 18 5.147 -2.817 -0.207 134 HA PRO 19 HA PRO 19 8.014 -4.340 -2.843 135 HB2 PRO 19 HB2 PRO 19 7.102 -6.792 -1.445 136 HB3 PRO 19 HB3 PRO 19 8.463 -6.577 -2.563 137 HG2 PRO 19 HG2 PRO 19 8.900 -6.920 0.045 138 HG3 PRO 19 HG3 PRO 19 9.883 -5.796 -0.913 139 HD2 PRO 19 HD2 PRO 19 7.622 -5.187 0.974 140 HD3 PRO 19 HD3 PRO 19 9.172 -4.340 0.735 141 H PHE 20 H PHE 20 6.316 -5.021 -4.298 142 HA PHE 20 HA PHE 20 3.850 -3.841 -3.775 143 HB2 PHE 20 HB2 PHE 20 4.703 -4.327 -6.060 144 HB3 PHE 20 HB3 PHE 20 4.360 -6.034 -5.799 145 HD1 PHE 20 HD1 PHE 20 2.868 -2.710 -6.241 146 HD2 PHE 20 HD2 PHE 20 2.125 -6.887 -5.912 147 HE1 PHE 20 HE1 PHE 20 0.563 -2.356 -7.020 148 HE2 PHE 20 HE2 PHE 20 -0.180 -6.541 -6.697 149 HZ PHE 20 HZ PHE 20 -0.965 -4.274 -7.251 150 H ASP 21 H ASP 21 4.772 -7.260 -3.506 151 HA ASP 21 HA ASP 21 2.204 -8.265 -2.995 152 HB2 ASP 21 HB2 ASP 21 3.308 -10.232 -2.063 153 HB3 ASP 21 HB3 ASP 21 4.094 -9.731 -3.556 154 H GLN 22 H GLN 22 4.661 -6.970 -0.799 155 HA GLN 22 HA GLN 22 3.213 -7.480 1.577 156 HB2 GLN 22 HB2 GLN 22 5.630 -6.953 1.569 157 HB3 GLN 22 HB3 GLN 22 5.265 -5.312 1.041 158 HG2 GLN 22 HG2 GLN 22 3.907 -5.047 3.131 159 HG3 GLN 22 HG3 GLN 22 4.559 -6.602 3.662 160 HE21 GLN 22 HE21 GLN 22 4.861 -3.980 4.866 161 HE22 GLN 22 HE22 GLN 22 6.565 -3.673 4.926 162 H CYS 23 H CYS 23 3.312 -4.770 -0.686 163 HA CYS 23 HA CYS 23 1.638 -3.035 0.787 164 HB2 CYS 23 HB2 CYS 23 2.957 -2.364 -1.280 165 HB3 CYS 23 HB3 CYS 23 1.737 -3.205 -2.238 166 H TYR 24 H TYR 24 0.927 -5.533 -1.611 167 HA TYR 24 HA TYR 24 -1.867 -5.239 -1.581 168 HB2 TYR 24 HB2 TYR 24 -0.557 -6.599 -3.267 169 HB3 TYR 24 HB3 TYR 24 -0.357 -7.836 -2.014 170 HD1 TYR 24 HD1 TYR 24 -2.216 -9.218 -1.327 171 HD2 TYR 24 HD2 TYR 24 -2.727 -6.200 -4.276 172 HE1 TYR 24 HE1 TYR 24 -4.379 -10.196 -1.942 173 HE2 TYR 24 HE2 TYR 24 -4.893 -7.170 -4.902 174 HH TYR 24 HH TYR 24 -6.086 -9.258 -4.766 175 H GLN 25 H GLN 25 0.325 -7.050 0.512 176 HA GLN 25 HA GLN 25 -1.743 -8.634 1.668 177 HB2 GLN 25 HB2 GLN 25 -0.093 -9.666 2.930 178 HB3 GLN 25 HB3 GLN 25 0.870 -9.036 1.600 179 HG2 GLN 25 HG2 GLN 25 1.518 -7.111 2.985 180 HG3 GLN 25 HG3 GLN 25 0.551 -7.748 4.310 181 HE21 GLN 25 HE21 GLN 25 2.295 -7.919 5.670 182 HE22 GLN 25 HE22 GLN 25 3.527 -9.118 5.470 183 H MET 26 H MET 26 -0.397 -5.509 2.405 184 HA MET 26 HA MET 26 -1.670 -5.421 5.002 185 HB2 MET 26 HB2 MET 26 0.425 -4.312 4.888 186 HB3 MET 26 HB3 MET 26 -0.024 -3.468 3.417 187 HG2 MET 26 HG2 MET 26 -1.657 -2.138 4.681 188 HG3 MET 26 HG3 MET 26 -1.179 -2.972 6.160 189 HE1 MET 26 HE1 MET 26 1.496 -2.051 3.387 190 HE2 MET 26 HE2 MET 26 1.791 -0.355 3.767 191 HE3 MET 26 HE3 MET 26 0.219 -0.858 3.147 192 H CYS 27 H CYS 27 -2.115 -3.911 1.820 193 HA CYS 27 HA CYS 27 -4.371 -2.377 2.776 194 HB2 CYS 27 HB2 CYS 27 -3.445 -2.725 -0.094 195 HB3 CYS 27 HB3 CYS 27 -4.474 -1.436 0.563 196 H SER 28 H SER 28 -4.012 -5.569 1.717 197 HA SER 28 HA SER 28 -6.331 -5.880 0.190 198 HB2 SER 28 HB2 SER 28 -6.178 -8.330 0.867 199 HB3 SER 28 HB3 SER 28 -4.780 -7.636 0.040 200 HG SER 28 HG SER 28 -4.687 -8.940 2.222 201 HA PRO 29 HA PRO 29 -8.716 -7.112 4.293 202 HB2 PRO 29 HB2 PRO 29 -7.250 -5.362 6.199 203 HB3 PRO 29 HB3 PRO 29 -7.968 -6.964 6.463 204 HG2 PRO 29 HG2 PRO 29 -5.333 -6.726 6.256 205 HG3 PRO 29 HG3 PRO 29 -6.178 -8.082 5.463 206 HD2 PRO 29 HD2 PRO 29 -5.130 -5.530 4.248 207 HD3 PRO 29 HD3 PRO 29 -5.043 -7.198 3.627 208 H LEU 30 H LEU 30 -7.494 -4.150 3.194 209 HA LEU 30 HA LEU 30 -9.673 -2.544 4.264 210 HB2 LEU 30 HB2 LEU 30 -7.183 -1.819 3.952 211 HB3 LEU 30 HB3 LEU 30 -7.623 -1.639 2.245 212 HG LEU 30 HG LEU 30 -8.769 -0.093 4.594 213 HD11 LEU 30 HD11 LEU 30 -6.550 0.623 3.985 214 HD12 LEU 30 HD12 LEU 30 -7.720 1.822 3.430 215 HD13 LEU 30 HD13 LEU 30 -7.003 0.693 2.282 216 HD21 LEU 30 HD21 LEU 30 -10.037 1.198 2.970 217 HD22 LEU 30 HD22 LEU 30 -10.498 -0.505 2.880 218 HD23 LEU 30 HD23 LEU 30 -9.433 0.187 1.656 219 H GLU 31 H GLU 31 -8.304 -3.220 1.042 220 HA GLU 31 HA GLU 31 -10.664 -2.134 -0.203 221 HB2 GLU 31 HB2 GLU 31 -8.416 -1.693 -1.104 222 HB3 GLU 31 HB3 GLU 31 -8.253 -3.412 -1.490 223 HG2 GLU 31 HG2 GLU 31 -8.913 -1.895 -3.410 224 HG3 GLU 31 HG3 GLU 31 -9.943 -3.305 -3.136 225 H ARG 32 H ARG 32 -9.049 -5.331 -0.552 226 HA ARG 32 HA ARG 32 -11.712 -6.335 -1.279 227 HB2 ARG 32 HB2 ARG 32 -10.639 -7.998 -2.796 228 HB3 ARG 32 HB3 ARG 32 -10.448 -6.326 -3.331 229 HG2 ARG 32 HG2 ARG 32 -8.271 -7.709 -1.768 230 HG3 ARG 32 HG3 ARG 32 -8.437 -7.964 -3.505 231 HD2 ARG 32 HD2 ARG 32 -7.965 -5.337 -2.089 232 HD3 ARG 32 HD3 ARG 32 -6.830 -6.215 -3.114 233 HE ARG 32 HE ARG 32 -9.282 -5.537 -4.452 234 HH11 ARG 32 HH11 ARG 32 -6.079 -4.363 -3.612 235 HH12 ARG 32 HH12 ARG 32 -6.042 -3.208 -4.904 236 HH21 ARG 32 HH21 ARG 32 -9.217 -4.014 -6.136 237 HH22 ARG 32 HH22 ARG 32 -7.819 -3.006 -6.332 238 H SER 33 H SER 33 -12.481 -7.577 0.203 239 HA SER 33 HA SER 33 -10.943 -9.866 1.121 240 HB2 SER 33 HB2 SER 33 -12.211 -7.911 3.073 241 HB3 SER 33 HB3 SER 33 -11.537 -9.481 3.503 242 HG SER 33 HG SER 33 -9.796 -7.940 2.063 Start of MODEL 28 1 HA ALA 1 HA ALA 1 -16.748 1.543 -0.743 2 HB1 ALA 1 HB1 ALA 1 -17.504 0.475 1.335 3 HB2 ALA 1 HB2 ALA 1 -17.806 2.212 1.333 4 HB3 ALA 1 HB3 ALA 1 -16.457 1.554 2.258 5 H SER 2 H SER 2 -13.933 2.273 -0.929 6 HA SER 2 HA SER 2 -14.090 5.061 -1.013 7 HB2 SER 2 HB2 SER 2 -14.063 4.706 1.546 8 HB3 SER 2 HB3 SER 2 -12.395 4.176 1.338 9 HG SER 2 HG SER 2 -12.848 6.505 0.031 10 HA PRO 3 HA PRO 3 -10.803 2.651 -3.347 11 HB2 PRO 3 HB2 PRO 3 -11.445 4.891 -5.215 12 HB3 PRO 3 HB3 PRO 3 -11.160 3.171 -5.568 13 HG2 PRO 3 HG2 PRO 3 -13.622 4.120 -5.596 14 HG3 PRO 3 HG3 PRO 3 -13.280 2.547 -4.844 15 HD2 PRO 3 HD2 PRO 3 -13.793 5.198 -3.502 16 HD3 PRO 3 HD3 PRO 3 -14.327 3.554 -3.031 17 H GLN 4 H GLN 4 -11.148 6.106 -2.737 18 HA GLN 4 HA GLN 4 -8.560 6.871 -3.512 19 HB2 GLN 4 HB2 GLN 4 -10.338 8.509 -3.264 20 HB3 GLN 4 HB3 GLN 4 -10.469 8.148 -1.547 21 HG2 GLN 4 HG2 GLN 4 -8.187 8.995 -1.208 22 HG3 GLN 4 HG3 GLN 4 -8.087 9.394 -2.922 23 HE21 GLN 4 HE21 GLN 4 -11.010 9.798 -1.030 24 HE22 GLN 4 HE22 GLN 4 -11.002 11.531 -1.051 25 H GLN 5 H GLN 5 -9.884 5.951 -0.348 26 HA GLN 5 HA GLN 5 -7.484 6.529 1.043 27 HB2 GLN 5 HB2 GLN 5 -8.484 5.677 2.971 28 HB3 GLN 5 HB3 GLN 5 -9.837 6.298 2.042 29 HG2 GLN 5 HG2 GLN 5 -10.416 4.066 1.325 30 HG3 GLN 5 HG3 GLN 5 -8.994 3.410 2.129 31 HE21 GLN 5 HE21 GLN 5 -9.286 5.168 4.452 32 HE22 GLN 5 HE22 GLN 5 -10.611 4.526 5.365 33 H ALA 6 H ALA 6 -8.709 3.702 -0.569 34 HA ALA 6 HA ALA 6 -6.730 1.895 0.371 35 HB1 ALA 6 HB1 ALA 6 -8.802 1.085 -0.654 36 HB2 ALA 6 HB2 ALA 6 -7.382 0.461 -1.498 37 HB3 ALA 6 HB3 ALA 6 -8.310 1.785 -2.198 38 H LYS 7 H LYS 7 -6.938 4.066 -2.406 39 HA LYS 7 HA LYS 7 -4.537 3.262 -3.641 40 HB2 LYS 7 HB2 LYS 7 -6.256 4.675 -4.748 41 HB3 LYS 7 HB3 LYS 7 -5.814 6.007 -3.690 42 HG2 LYS 7 HG2 LYS 7 -4.803 6.245 -5.894 43 HG3 LYS 7 HG3 LYS 7 -3.567 6.048 -4.624 44 HD2 LYS 7 HD2 LYS 7 -3.331 3.678 -5.211 45 HD3 LYS 7 HD3 LYS 7 -4.595 3.833 -6.436 46 HE2 LYS 7 HE2 LYS 7 -1.916 5.234 -6.436 47 HE3 LYS 7 HE3 LYS 7 -2.381 3.890 -7.478 48 HZ1 LYS 7 HZ1 LYS 7 -4.188 5.377 -8.331 49 HZ2 LYS 7 HZ2 LYS 7 -2.616 5.850 -8.732 50 HZ3 LYS 7 HZ3 LYS 7 -3.449 6.653 -7.499 51 H TYR 8 H TYR 8 -5.242 5.546 -1.074 52 HA TYR 8 HA TYR 8 -2.705 6.719 -0.832 53 HB2 TYR 8 HB2 TYR 8 -4.704 7.615 0.290 54 HB3 TYR 8 HB3 TYR 8 -4.773 6.181 1.317 55 HD1 TYR 8 HD1 TYR 8 -2.648 9.107 0.483 56 HD2 TYR 8 HD2 TYR 8 -3.611 6.116 3.348 57 HE1 TYR 8 HE1 TYR 8 -1.220 10.237 2.133 58 HE2 TYR 8 HE2 TYR 8 -2.183 7.235 5.006 59 HH TYR 8 HH TYR 8 -0.312 8.778 5.086 60 H CYS 9 H CYS 9 -4.082 3.813 0.650 61 HA CYS 9 HA CYS 9 -1.886 3.192 2.306 62 HB2 CYS 9 HB2 CYS 9 -4.187 2.177 2.467 63 HB3 CYS 9 HB3 CYS 9 -3.809 1.206 1.040 64 H TYR 10 H TYR 10 -2.707 2.167 -0.985 65 HA TYR 10 HA TYR 10 -0.424 0.515 -1.343 66 HB2 TYR 10 HB2 TYR 10 -2.445 1.715 -3.228 67 HB3 TYR 10 HB3 TYR 10 -1.020 0.869 -3.842 68 HD1 TYR 10 HD1 TYR 10 -0.686 -1.505 -3.324 69 HD2 TYR 10 HD2 TYR 10 -4.291 0.502 -2.299 70 HE1 TYR 10 HE1 TYR 10 -1.806 -3.663 -3.065 71 HE2 TYR 10 HE2 TYR 10 -5.422 -1.656 -2.035 72 HH TYR 10 HH TYR 10 -3.735 -4.618 -1.911 73 H GLU 11 H GLU 11 -1.060 3.921 -2.013 74 HA GLU 11 HA GLU 11 1.310 4.274 -3.538 75 HB2 GLU 11 HB2 GLU 11 -0.708 5.733 -3.742 76 HB3 GLU 11 HB3 GLU 11 -0.340 6.401 -2.139 77 HG2 GLU 11 HG2 GLU 11 1.600 7.467 -2.913 78 HG3 GLU 11 HG3 GLU 11 1.621 6.525 -4.421 79 H GLN 12 H GLN 12 0.489 4.814 -0.112 80 HA GLN 12 HA GLN 12 2.966 5.967 0.594 81 HB2 GLN 12 HB2 GLN 12 0.939 4.455 2.254 82 HB3 GLN 12 HB3 GLN 12 2.394 5.167 2.922 83 HG2 GLN 12 HG2 GLN 12 0.334 6.708 1.398 84 HG3 GLN 12 HG3 GLN 12 0.351 6.543 3.149 85 HE21 GLN 12 HE21 GLN 12 3.294 6.596 3.225 86 HE22 GLN 12 HE22 GLN 12 3.736 8.258 2.984 87 H CYS 13 H CYS 13 2.023 2.726 -0.090 88 HA CYS 13 HA CYS 13 4.005 1.324 1.285 89 HB2 CYS 13 HB2 CYS 13 2.497 0.737 -1.261 90 HB3 CYS 13 HB3 CYS 13 3.730 -0.360 -0.648 91 H ASN 14 H ASN 14 4.085 2.638 -2.050 92 HA ASN 14 HA ASN 14 6.854 1.874 -2.311 93 HB2 ASN 14 HB2 ASN 14 6.718 3.057 -4.513 94 HB3 ASN 14 HB3 ASN 14 5.515 1.794 -4.302 95 HD21 ASN 14 HD21 ASN 14 6.001 5.298 -4.393 96 HD22 ASN 14 HD22 ASN 14 4.336 5.681 -4.675 97 H VAL 15 H VAL 15 5.075 4.738 -1.425 98 HA VAL 15 HA VAL 15 7.149 6.612 -1.677 99 HB VAL 15 HB VAL 15 4.847 6.569 0.286 100 HG11 VAL 15 HG11 VAL 15 6.762 8.812 -0.375 101 HG12 VAL 15 HG12 VAL 15 6.655 7.951 1.160 102 HG13 VAL 15 HG13 VAL 15 5.315 8.965 0.621 103 HG21 VAL 15 HG21 VAL 15 4.136 6.732 -2.045 104 HG22 VAL 15 HG22 VAL 15 5.244 8.077 -2.302 105 HG23 VAL 15 HG23 VAL 15 3.872 8.263 -1.212 106 H ASN 16 H ASN 16 6.155 4.613 1.133 107 HA ASN 16 HA ASN 16 8.349 5.616 2.706 108 HB2 ASN 16 HB2 ASN 16 6.534 3.227 3.190 109 HB3 ASN 16 HB3 ASN 16 7.651 3.928 4.367 110 HD21 ASN 16 HD21 ASN 16 7.095 6.666 3.594 111 HD22 ASN 16 HD22 ASN 16 5.522 7.028 4.215 112 H LYS 17 H LYS 17 7.711 2.153 2.254 113 HA LYS 17 HA LYS 17 9.490 1.567 0.269 114 HB2 LYS 17 HB2 LYS 17 11.238 2.420 1.866 115 HB3 LYS 17 HB3 LYS 17 10.840 1.052 2.918 116 HG2 LYS 17 HG2 LYS 17 11.466 -0.507 1.137 117 HG3 LYS 17 HG3 LYS 17 11.860 0.852 0.081 118 HD2 LYS 17 HD2 LYS 17 13.626 1.572 1.536 119 HD3 LYS 17 HD3 LYS 17 13.187 0.364 2.761 120 HE2 LYS 17 HE2 LYS 17 14.213 -0.192 -0.031 121 HE3 LYS 17 HE3 LYS 17 15.135 -0.352 1.464 122 HZ1 LYS 17 HZ1 LYS 17 12.719 -1.922 0.737 123 HZ2 LYS 17 HZ2 LYS 17 13.584 -2.069 2.182 124 HZ3 LYS 17 HZ3 LYS 17 14.314 -2.485 0.716 125 H VAL 18 H VAL 18 7.599 0.102 -0.024 126 HA VAL 18 HA VAL 18 8.234 -2.426 1.296 127 HB VAL 18 HB VAL 18 6.318 -2.767 2.419 128 HG11 VAL 18 HG11 VAL 18 5.031 -0.838 3.135 129 HG12 VAL 18 HG12 VAL 18 5.707 0.122 1.820 130 HG13 VAL 18 HG13 VAL 18 6.756 -0.470 3.104 131 HG21 VAL 18 HG21 VAL 18 4.828 -1.640 0.061 132 HG22 VAL 18 HG22 VAL 18 4.056 -2.356 1.478 133 HG23 VAL 18 HG23 VAL 18 5.101 -3.337 0.443 134 HA PRO 19 HA PRO 19 7.703 -4.027 -2.848 135 HB2 PRO 19 HB2 PRO 19 6.979 -6.540 -1.462 136 HB3 PRO 19 HB3 PRO 19 8.284 -6.236 -2.623 137 HG2 PRO 19 HG2 PRO 19 8.799 -6.623 -0.021 138 HG3 PRO 19 HG3 PRO 19 9.742 -5.492 -1.010 139 HD2 PRO 19 HD2 PRO 19 7.592 -4.905 0.994 140 HD3 PRO 19 HD3 PRO 19 9.096 -4.022 0.635 141 H PHE 20 H PHE 20 5.965 -4.458 -4.199 142 HA PHE 20 HA PHE 20 3.448 -3.612 -3.311 143 HB2 PHE 20 HB2 PHE 20 4.255 -3.472 -5.677 144 HB3 PHE 20 HB3 PHE 20 3.976 -5.205 -5.820 145 HD1 PHE 20 HD1 PHE 20 1.761 -6.102 -5.996 146 HD2 PHE 20 HD2 PHE 20 2.384 -1.934 -5.423 147 HE1 PHE 20 HE1 PHE 20 -0.591 -5.675 -6.575 148 HE2 PHE 20 HE2 PHE 20 0.032 -1.498 -5.997 149 HZ PHE 20 HZ PHE 20 -1.458 -3.370 -6.571 150 H ASP 21 H ASP 21 4.725 -6.875 -3.783 151 HA ASP 21 HA ASP 21 2.285 -8.241 -3.440 152 HB2 ASP 21 HB2 ASP 21 3.596 -10.222 -2.995 153 HB3 ASP 21 HB3 ASP 21 4.351 -9.320 -4.304 154 H GLN 22 H GLN 22 4.679 -7.074 -1.133 155 HA GLN 22 HA GLN 22 3.381 -8.079 1.181 156 HB2 GLN 22 HB2 GLN 22 5.738 -7.410 1.229 157 HB3 GLN 22 HB3 GLN 22 5.294 -5.748 0.870 158 HG2 GLN 22 HG2 GLN 22 4.024 -5.686 3.001 159 HG3 GLN 22 HG3 GLN 22 4.651 -7.300 3.362 160 HE21 GLN 22 HE21 GLN 22 5.034 -4.777 4.786 161 HE22 GLN 22 HE22 GLN 22 6.748 -4.530 4.860 162 H CYS 23 H CYS 23 3.181 -5.065 -0.647 163 HA CYS 23 HA CYS 23 1.498 -3.675 1.151 164 HB2 CYS 23 HB2 CYS 23 2.708 -2.668 -0.856 165 HB3 CYS 23 HB3 CYS 23 1.417 -3.343 -1.853 166 H TYR 24 H TYR 24 0.821 -5.868 -1.520 167 HA TYR 24 HA TYR 24 -1.978 -5.705 -1.442 168 HB2 TYR 24 HB2 TYR 24 -0.774 -6.801 -3.292 169 HB3 TYR 24 HB3 TYR 24 -0.227 -8.071 -2.185 170 HD1 TYR 24 HD1 TYR 24 -1.454 -10.017 -2.012 171 HD2 TYR 24 HD2 TYR 24 -3.364 -6.513 -3.475 172 HE1 TYR 24 HE1 TYR 24 -3.467 -11.326 -2.502 173 HE2 TYR 24 HE2 TYR 24 -5.389 -7.811 -3.964 174 HH TYR 24 HH TYR 24 -6.067 -10.084 -4.374 175 H GLN 25 H GLN 25 0.263 -7.225 0.711 176 HA GLN 25 HA GLN 25 -1.716 -9.011 1.817 177 HB2 GLN 25 HB2 GLN 25 1.114 -8.310 2.581 178 HB3 GLN 25 HB3 GLN 25 0.096 -9.277 3.642 179 HG2 GLN 25 HG2 GLN 25 0.740 -10.005 0.775 180 HG3 GLN 25 HG3 GLN 25 1.570 -10.646 2.192 181 HE21 GLN 25 HE21 GLN 25 -1.359 -10.643 0.342 182 HE22 GLN 25 HE22 GLN 25 -2.094 -12.006 1.116 183 H MET 26 H MET 26 -0.482 -5.819 2.480 184 HA MET 26 HA MET 26 -1.786 -5.725 5.068 185 HB2 MET 26 HB2 MET 26 0.394 -4.719 4.946 186 HB3 MET 26 HB3 MET 26 -0.075 -3.757 3.558 187 HG2 MET 26 HG2 MET 26 -1.632 -2.485 4.968 188 HG3 MET 26 HG3 MET 26 -1.133 -3.441 6.364 189 HE1 MET 26 HE1 MET 26 0.120 -0.964 3.563 190 HE2 MET 26 HE2 MET 26 1.348 -2.228 3.504 191 HE3 MET 26 HE3 MET 26 1.764 -0.625 4.102 192 H CYS 27 H CYS 27 -2.079 -4.045 1.922 193 HA CYS 27 HA CYS 27 -4.220 -2.416 3.020 194 HB2 CYS 27 HB2 CYS 27 -3.078 -2.409 0.208 195 HB3 CYS 27 HB3 CYS 27 -4.149 -1.188 0.923 196 H SER 28 H SER 28 -4.139 -5.421 1.384 197 HA SER 28 HA SER 28 -6.412 -5.056 -0.238 198 HB2 SER 28 HB2 SER 28 -6.565 -7.522 -0.370 199 HB3 SER 28 HB3 SER 28 -4.948 -6.901 -0.723 200 HG SER 28 HG SER 28 -4.214 -8.006 0.884 201 HA PRO 29 HA PRO 29 -9.021 -6.943 3.466 202 HB2 PRO 29 HB2 PRO 29 -7.465 -5.761 5.705 203 HB3 PRO 29 HB3 PRO 29 -8.334 -7.307 5.630 204 HG2 PRO 29 HG2 PRO 29 -5.684 -7.291 5.505 205 HG3 PRO 29 HG3 PRO 29 -6.623 -8.363 4.433 206 HD2 PRO 29 HD2 PRO 29 -5.310 -5.726 3.798 207 HD3 PRO 29 HD3 PRO 29 -5.350 -7.230 2.841 208 H LEU 30 H LEU 30 -7.449 -3.912 3.182 209 HA LEU 30 HA LEU 30 -9.442 -2.327 4.493 210 HB2 LEU 30 HB2 LEU 30 -6.991 -1.700 4.006 211 HB3 LEU 30 HB3 LEU 30 -7.520 -1.418 2.339 212 HG LEU 30 HG LEU 30 -8.509 0.087 4.788 213 HD11 LEU 30 HD11 LEU 30 -6.218 0.643 4.305 214 HD12 LEU 30 HD12 LEU 30 -7.250 1.966 3.760 215 HD13 LEU 30 HD13 LEU 30 -6.584 0.827 2.590 216 HD21 LEU 30 HD21 LEU 30 -9.013 0.640 1.858 217 HD22 LEU 30 HD22 LEU 30 -9.616 1.570 3.230 218 HD23 LEU 30 HD23 LEU 30 -10.184 -0.079 2.963 219 H GLU 31 H GLU 31 -8.667 -3.169 1.152 220 HA GLU 31 HA GLU 31 -10.913 -1.682 0.122 221 HB2 GLU 31 HB2 GLU 31 -8.597 -2.012 -0.988 222 HB3 GLU 31 HB3 GLU 31 -9.209 -3.603 -1.456 223 HG2 GLU 31 HG2 GLU 31 -10.580 -1.013 -2.193 224 HG3 GLU 31 HG3 GLU 31 -9.372 -1.810 -3.209 225 H ARG 32 H ARG 32 -9.971 -5.079 -0.445 226 HA ARG 32 HA ARG 32 -12.565 -6.014 0.450 227 HB2 ARG 32 HB2 ARG 32 -11.640 -6.392 -2.416 228 HB3 ARG 32 HB3 ARG 32 -12.892 -7.385 -1.671 229 HG2 ARG 32 HG2 ARG 32 -13.056 -4.381 -2.059 230 HG3 ARG 32 HG3 ARG 32 -13.791 -5.576 -3.127 231 HD2 ARG 32 HD2 ARG 32 -14.534 -4.851 -0.306 232 HD3 ARG 32 HD3 ARG 32 -15.532 -4.872 -1.750 233 HE ARG 32 HE ARG 32 -14.830 -7.472 -1.457 234 HH11 ARG 32 HH11 ARG 32 -16.264 -5.111 0.686 235 HH12 ARG 32 HH12 ARG 32 -17.195 -6.283 1.560 236 HH21 ARG 32 HH21 ARG 32 -16.036 -9.025 -0.298 237 HH22 ARG 32 HH22 ARG 32 -17.072 -8.511 0.998 238 H SER 33 H SER 33 -12.318 -7.842 1.519 239 HA SER 33 HA SER 33 -10.587 -9.932 0.596 240 HB2 SER 33 HB2 SER 33 -8.997 -8.401 1.843 241 HB3 SER 33 HB3 SER 33 -9.939 -8.719 3.301 242 HG SER 33 HG SER 33 -8.275 -10.444 1.833 Start of MODEL 29 1 HA ALA 1 HA ALA 1 -16.646 2.110 2.163 2 HB1 ALA 1 HB1 ALA 1 -18.495 2.376 3.750 3 HB2 ALA 1 HB2 ALA 1 -18.419 3.718 2.606 4 HB3 ALA 1 HB3 ALA 1 -17.831 3.928 4.255 5 H SER 2 H SER 2 -14.217 2.770 1.975 6 HA SER 2 HA SER 2 -14.151 5.566 1.218 7 HB2 SER 2 HB2 SER 2 -13.515 5.498 3.704 8 HB3 SER 2 HB3 SER 2 -12.087 4.586 3.218 9 HG SER 2 HG SER 2 -12.732 7.102 2.095 10 HA PRO 3 HA PRO 3 -11.832 2.377 -1.394 11 HB2 PRO 3 HB2 PRO 3 -13.073 4.106 -3.481 12 HB3 PRO 3 HB3 PRO 3 -12.906 2.336 -3.429 13 HG2 PRO 3 HG2 PRO 3 -15.257 3.446 -2.958 14 HG3 PRO 3 HG3 PRO 3 -14.694 2.091 -1.956 15 HD2 PRO 3 HD2 PRO 3 -14.722 5.036 -1.287 16 HD3 PRO 3 HD3 PRO 3 -15.138 3.627 -0.260 17 H GLN 4 H GLN 4 -11.927 5.855 -1.230 18 HA GLN 4 HA GLN 4 -9.695 6.294 -2.960 19 HB2 GLN 4 HB2 GLN 4 -11.057 8.043 -0.921 20 HB3 GLN 4 HB3 GLN 4 -9.634 8.571 -1.806 21 HG2 GLN 4 HG2 GLN 4 -12.055 7.579 -3.273 22 HG3 GLN 4 HG3 GLN 4 -11.973 9.239 -2.689 23 HE21 GLN 4 HE21 GLN 4 -9.094 7.570 -3.763 24 HE22 GLN 4 HE22 GLN 4 -8.891 8.467 -5.227 25 H GLN 5 H GLN 5 -10.068 5.823 0.511 26 HA GLN 5 HA GLN 5 -7.441 6.549 1.222 27 HB2 GLN 5 HB2 GLN 5 -7.851 5.685 3.346 28 HB3 GLN 5 HB3 GLN 5 -9.458 6.114 2.783 29 HG2 GLN 5 HG2 GLN 5 -9.912 3.796 2.225 30 HG3 GLN 5 HG3 GLN 5 -8.275 3.345 2.692 31 HE21 GLN 5 HE21 GLN 5 -8.328 5.207 4.991 32 HE22 GLN 5 HE22 GLN 5 -9.299 4.426 6.190 33 H ALA 6 H ALA 6 -8.785 3.692 -0.147 34 HA ALA 6 HA ALA 6 -6.690 1.878 0.320 35 HB1 ALA 6 HB1 ALA 6 -7.545 0.667 -1.648 36 HB2 ALA 6 HB2 ALA 6 -8.589 2.036 -2.020 37 HB3 ALA 6 HB3 ALA 6 -8.830 1.123 -0.530 38 H LYS 7 H LYS 7 -7.198 4.310 -2.176 39 HA LYS 7 HA LYS 7 -4.957 3.649 -3.770 40 HB2 LYS 7 HB2 LYS 7 -6.774 5.062 -4.625 41 HB3 LYS 7 HB3 LYS 7 -6.392 6.299 -3.435 42 HG2 LYS 7 HG2 LYS 7 -5.544 6.917 -5.615 43 HG3 LYS 7 HG3 LYS 7 -4.205 6.645 -4.471 44 HD2 LYS 7 HD2 LYS 7 -4.034 4.298 -5.419 45 HD3 LYS 7 HD3 LYS 7 -5.162 4.800 -6.685 46 HE2 LYS 7 HE2 LYS 7 -2.831 4.979 -7.451 47 HE3 LYS 7 HE3 LYS 7 -3.599 6.566 -7.367 48 HZ1 LYS 7 HZ1 LYS 7 -2.517 6.926 -5.225 49 HZ2 LYS 7 HZ2 LYS 7 -1.377 6.630 -6.438 50 HZ3 LYS 7 HZ3 LYS 7 -1.770 5.412 -5.334 51 H TYR 8 H TYR 8 -5.383 5.601 -0.912 52 HA TYR 8 HA TYR 8 -2.822 6.823 -0.912 53 HB2 TYR 8 HB2 TYR 8 -4.789 7.635 0.403 54 HB3 TYR 8 HB3 TYR 8 -4.619 6.226 1.452 55 HD1 TYR 8 HD1 TYR 8 -3.031 6.197 3.213 56 HD2 TYR 8 HD2 TYR 8 -2.998 9.360 0.368 57 HE1 TYR 8 HE1 TYR 8 -1.482 7.458 4.647 58 HE2 TYR 8 HE2 TYR 8 -1.447 10.631 1.791 59 HH TYR 8 HH TYR 8 -0.807 10.747 4.171 60 H CYS 9 H CYS 9 -4.134 3.876 0.537 61 HA CYS 9 HA CYS 9 -1.829 3.092 1.952 62 HB2 CYS 9 HB2 CYS 9 -4.109 2.095 2.257 63 HB3 CYS 9 HB3 CYS 9 -3.913 1.259 0.711 64 H TYR 10 H TYR 10 -2.966 2.217 -1.305 65 HA TYR 10 HA TYR 10 -0.727 0.576 -1.910 66 HB2 TYR 10 HB2 TYR 10 -2.891 1.839 -3.595 67 HB3 TYR 10 HB3 TYR 10 -1.548 0.963 -4.333 68 HD1 TYR 10 HD1 TYR 10 -4.729 0.673 -2.658 69 HD2 TYR 10 HD2 TYR 10 -1.204 -1.442 -3.746 70 HE1 TYR 10 HE1 TYR 10 -5.913 -1.453 -2.342 71 HE2 TYR 10 HE2 TYR 10 -2.375 -3.568 -3.433 72 HH TYR 10 HH TYR 10 -5.764 -3.778 -3.071 73 H GLU 11 H GLU 11 -1.172 3.987 -1.959 74 HA GLU 11 HA GLU 11 1.037 4.450 -3.746 75 HB2 GLU 11 HB2 GLU 11 -0.959 6.029 -3.408 76 HB3 GLU 11 HB3 GLU 11 -0.162 6.487 -1.885 77 HG2 GLU 11 HG2 GLU 11 0.340 8.043 -3.715 78 HG3 GLU 11 HG3 GLU 11 1.792 7.235 -3.078 79 H GLN 12 H GLN 12 0.447 5.160 -0.303 80 HA GLN 12 HA GLN 12 3.097 5.989 0.153 81 HB2 GLN 12 HB2 GLN 12 0.870 5.260 2.046 82 HB3 GLN 12 HB3 GLN 12 2.422 5.880 2.583 83 HG2 GLN 12 HG2 GLN 12 0.891 7.376 0.524 84 HG3 GLN 12 HG3 GLN 12 0.406 7.478 2.210 85 HE21 GLN 12 HE21 GLN 12 3.740 7.013 1.401 86 HE22 GLN 12 HE22 GLN 12 4.269 8.609 1.816 87 H CYS 13 H CYS 13 1.688 2.849 0.113 88 HA CYS 13 HA CYS 13 3.370 1.503 1.899 89 HB2 CYS 13 HB2 CYS 13 2.798 -0.530 0.679 90 HB3 CYS 13 HB3 CYS 13 1.362 0.493 0.777 91 H ASN 14 H ASN 14 3.802 1.964 -1.617 92 HA ASN 14 HA ASN 14 6.485 0.955 -1.580 93 HB2 ASN 14 HB2 ASN 14 5.044 2.588 -3.685 94 HB3 ASN 14 HB3 ASN 14 6.611 1.832 -3.912 95 HD21 ASN 14 HD21 ASN 14 5.871 -0.591 -2.421 96 HD22 ASN 14 HD22 ASN 14 4.810 -1.467 -3.475 97 H VAL 15 H VAL 15 5.040 4.119 -1.251 98 HA VAL 15 HA VAL 15 7.336 5.664 -1.771 99 HB VAL 15 HB VAL 15 4.975 6.330 -0.001 100 HG11 VAL 15 HG11 VAL 15 5.646 8.669 -0.269 101 HG12 VAL 15 HG12 VAL 15 7.066 8.160 -1.182 102 HG13 VAL 15 HG13 VAL 15 6.913 7.731 0.521 103 HG21 VAL 15 HG21 VAL 15 4.221 7.662 -1.960 104 HG22 VAL 15 HG22 VAL 15 4.261 5.929 -2.277 105 HG23 VAL 15 HG23 VAL 15 5.542 6.966 -2.895 106 H ASN 16 H ASN 16 6.076 4.163 1.184 107 HA ASN 16 HA ASN 16 8.144 5.247 2.845 108 HB2 ASN 16 HB2 ASN 16 6.398 2.797 3.284 109 HB3 ASN 16 HB3 ASN 16 7.419 3.566 4.503 110 HD21 ASN 16 HD21 ASN 16 6.748 6.266 3.557 111 HD22 ASN 16 HD22 ASN 16 5.140 6.561 4.127 112 H LYS 17 H LYS 17 7.598 1.778 2.304 113 HA LYS 17 HA LYS 17 9.705 1.232 0.625 114 HB2 LYS 17 HB2 LYS 17 11.163 2.049 2.461 115 HB3 LYS 17 HB3 LYS 17 10.507 0.783 3.509 116 HG2 LYS 17 HG2 LYS 17 11.457 -0.942 2.108 117 HG3 LYS 17 HG3 LYS 17 12.004 0.264 0.936 118 HD2 LYS 17 HD2 LYS 17 13.528 1.231 2.530 119 HD3 LYS 17 HD3 LYS 17 12.923 0.184 3.832 120 HE2 LYS 17 HE2 LYS 17 13.750 -1.781 2.602 121 HE3 LYS 17 HE3 LYS 17 14.336 -0.729 1.314 122 HZ1 LYS 17 HZ1 LYS 17 16.106 -1.364 2.838 123 HZ2 LYS 17 HZ2 LYS 17 15.271 -0.671 4.130 124 HZ3 LYS 17 HZ3 LYS 17 15.848 0.304 2.879 125 H VAL 18 H VAL 18 7.900 -0.201 -0.036 126 HA VAL 18 HA VAL 18 8.182 -2.754 1.348 127 HB VAL 18 HB VAL 18 5.934 -3.248 1.690 128 HG11 VAL 18 HG11 VAL 18 6.062 -0.295 2.292 129 HG12 VAL 18 HG12 VAL 18 6.661 -1.597 3.321 130 HG13 VAL 18 HG13 VAL 18 4.932 -1.456 2.993 131 HG21 VAL 18 HG21 VAL 18 5.155 -2.629 -0.515 132 HG22 VAL 18 HG22 VAL 18 5.147 -0.924 -0.054 133 HG23 VAL 18 HG23 VAL 18 4.048 -2.058 0.737 134 HA PRO 19 HA PRO 19 8.058 -4.280 -2.892 135 HB2 PRO 19 HB2 PRO 19 7.337 -6.840 -1.629 136 HB3 PRO 19 HB3 PRO 19 8.740 -6.447 -2.637 137 HG2 PRO 19 HG2 PRO 19 8.991 -6.897 -0.002 138 HG3 PRO 19 HG3 PRO 19 9.992 -5.707 -0.857 139 HD2 PRO 19 HD2 PRO 19 7.592 -5.242 0.886 140 HD3 PRO 19 HD3 PRO 19 9.117 -4.329 0.770 141 H PHE 20 H PHE 20 6.409 -5.108 -4.352 142 HA PHE 20 HA PHE 20 3.850 -4.185 -3.931 143 HB2 PHE 20 HB2 PHE 20 4.650 -4.815 -6.163 144 HB3 PHE 20 HB3 PHE 20 4.637 -6.514 -5.703 145 HD1 PHE 20 HD1 PHE 20 2.654 -7.796 -5.813 146 HD2 PHE 20 HD2 PHE 20 2.486 -3.568 -6.270 147 HE1 PHE 20 HE1 PHE 20 0.310 -7.972 -6.534 148 HE2 PHE 20 HE2 PHE 20 0.139 -3.738 -6.989 149 HZ PHE 20 HZ PHE 20 -0.953 -5.940 -7.119 150 H ASP 21 H ASP 21 5.027 -7.494 -3.347 151 HA ASP 21 HA ASP 21 2.558 -8.646 -2.700 152 HB2 ASP 21 HB2 ASP 21 3.783 -10.439 -1.666 153 HB3 ASP 21 HB3 ASP 21 4.678 -9.928 -3.093 154 H GLN 22 H GLN 22 4.838 -6.841 -0.717 155 HA GLN 22 HA GLN 22 3.452 -7.225 1.742 156 HB2 GLN 22 HB2 GLN 22 5.817 -6.538 1.640 157 HB3 GLN 22 HB3 GLN 22 5.339 -5.009 0.915 158 HG2 GLN 22 HG2 GLN 22 5.710 -4.565 3.188 159 HG3 GLN 22 HG3 GLN 22 3.954 -4.600 2.975 160 HE21 GLN 22 HE21 GLN 22 5.981 -7.455 3.069 161 HE22 GLN 22 HE22 GLN 22 5.388 -8.054 4.582 162 H CYS 23 H CYS 23 3.406 -4.732 -0.774 163 HA CYS 23 HA CYS 23 1.668 -2.947 0.545 164 HB2 CYS 23 HB2 CYS 23 2.977 -2.402 -1.565 165 HB3 CYS 23 HB3 CYS 23 1.785 -3.350 -2.457 166 H TYR 24 H TYR 24 1.023 -5.598 -1.713 167 HA TYR 24 HA TYR 24 -1.771 -5.354 -1.672 168 HB2 TYR 24 HB2 TYR 24 -0.596 -6.732 -3.349 169 HB3 TYR 24 HB3 TYR 24 -0.103 -7.860 -2.075 170 HD1 TYR 24 HD1 TYR 24 -3.070 -6.470 -3.819 171 HD2 TYR 24 HD2 TYR 24 -1.523 -9.610 -1.407 172 HE1 TYR 24 HE1 TYR 24 -5.150 -7.728 -4.133 173 HE2 TYR 24 HE2 TYR 24 -3.599 -10.879 -1.718 174 HH TYR 24 HH TYR 24 -5.946 -10.024 -4.042 175 H GLN 25 H GLN 25 0.456 -7.098 0.479 176 HA GLN 25 HA GLN 25 -1.655 -8.626 1.642 177 HB2 GLN 25 HB2 GLN 25 -0.021 -9.811 2.691 178 HB3 GLN 25 HB3 GLN 25 1.056 -8.940 1.609 179 HG2 GLN 25 HG2 GLN 25 1.667 -7.401 3.311 180 HG3 GLN 25 HG3 GLN 25 0.361 -7.948 4.363 181 HE21 GLN 25 HE21 GLN 25 3.197 -7.833 4.934 182 HE22 GLN 25 HE22 GLN 25 3.683 -9.455 5.310 183 H MET 26 H MET 26 -0.343 -5.495 2.269 184 HA MET 26 HA MET 26 -1.665 -5.328 4.848 185 HB2 MET 26 HB2 MET 26 0.426 -4.197 4.769 186 HB3 MET 26 HB3 MET 26 0.019 -3.414 3.251 187 HG2 MET 26 HG2 MET 26 -1.706 -2.089 4.424 188 HG3 MET 26 HG3 MET 26 -1.207 -2.833 5.943 189 HE1 MET 26 HE1 MET 26 1.644 -0.192 3.440 190 HE2 MET 26 HE2 MET 26 0.101 -0.808 2.845 191 HE3 MET 26 HE3 MET 26 1.444 -1.914 3.135 192 H CYS 27 H CYS 27 -2.005 -3.885 1.607 193 HA CYS 27 HA CYS 27 -4.223 -2.270 2.513 194 HB2 CYS 27 HB2 CYS 27 -3.176 -2.600 -0.316 195 HB3 CYS 27 HB3 CYS 27 -4.235 -1.314 0.293 196 H SER 28 H SER 28 -3.929 -5.388 0.976 197 HA SER 28 HA SER 28 -6.374 -5.360 -0.394 198 HB2 SER 28 HB2 SER 28 -6.250 -7.845 -0.379 199 HB3 SER 28 HB3 SER 28 -4.783 -7.053 -0.962 200 HG SER 28 HG SER 28 -3.741 -7.608 0.861 201 HA PRO 29 HA PRO 29 -8.412 -7.240 3.685 202 HB2 PRO 29 HB2 PRO 29 -6.742 -5.667 5.592 203 HB3 PRO 29 HB3 PRO 29 -7.489 -7.264 5.803 204 HG2 PRO 29 HG2 PRO 29 -4.883 -7.101 5.365 205 HG3 PRO 29 HG3 PRO 29 -5.848 -8.349 4.532 206 HD2 PRO 29 HD2 PRO 29 -4.796 -5.736 3.465 207 HD3 PRO 29 HD3 PRO 29 -4.860 -7.336 2.682 208 H LEU 30 H LEU 30 -7.080 -4.090 3.142 209 HA LEU 30 HA LEU 30 -9.226 -2.635 4.419 210 HB2 LEU 30 HB2 LEU 30 -6.788 -1.874 4.184 211 HB3 LEU 30 HB3 LEU 30 -7.149 -1.595 2.473 212 HG LEU 30 HG LEU 30 -8.411 -0.147 4.830 213 HD11 LEU 30 HD11 LEU 30 -6.097 0.489 4.452 214 HD12 LEU 30 HD12 LEU 30 -7.174 1.786 3.935 215 HD13 LEU 30 HD13 LEU 30 -6.423 0.733 2.736 216 HD21 LEU 30 HD21 LEU 30 -9.466 1.295 3.187 217 HD22 LEU 30 HD22 LEU 30 -9.969 -0.377 2.923 218 HD23 LEU 30 HD23 LEU 30 -8.761 0.359 1.868 219 H GLU 31 H GLU 31 -8.016 -2.951 1.112 220 HA GLU 31 HA GLU 31 -10.154 -1.567 -0.092 221 HB2 GLU 31 HB2 GLU 31 -7.860 -1.910 -1.069 222 HB3 GLU 31 HB3 GLU 31 -8.314 -3.587 -1.394 223 HG2 GLU 31 HG2 GLU 31 -9.936 -1.316 -2.508 224 HG3 GLU 31 HG3 GLU 31 -8.455 -1.859 -3.305 225 H ARG 32 H ARG 32 -9.548 -5.026 0.338 226 HA ARG 32 HA ARG 32 -12.318 -5.491 -0.549 227 HB2 ARG 32 HB2 ARG 32 -10.548 -6.406 -2.115 228 HB3 ARG 32 HB3 ARG 32 -10.008 -7.447 -0.793 229 HG2 ARG 32 HG2 ARG 32 -11.401 -8.729 -2.295 230 HG3 ARG 32 HG3 ARG 32 -12.233 -8.527 -0.752 231 HD2 ARG 32 HD2 ARG 32 -13.455 -8.173 -3.079 232 HD3 ARG 32 HD3 ARG 32 -13.879 -7.230 -1.655 233 HE ARG 32 HE ARG 32 -11.935 -5.753 -2.891 234 HH11 ARG 32 HH11 ARG 32 -14.991 -7.111 -3.933 235 HH12 ARG 32 HH12 ARG 32 -15.316 -5.834 -5.059 236 HH21 ARG 32 HH21 ARG 32 -12.375 -4.052 -4.337 237 HH22 ARG 32 HH22 ARG 32 -13.830 -4.101 -5.294 238 H SER 33 H SER 33 -12.959 -5.150 1.621 239 HA SER 33 HA SER 33 -12.076 -7.155 3.567 240 HB2 SER 33 HB2 SER 33 -13.502 -5.605 5.125 241 HB3 SER 33 HB3 SER 33 -11.925 -5.037 4.571 242 HG SER 33 HG SER 33 -13.065 -3.378 3.938 Start of MODEL 30 1 HA ALA 1 HA ALA 1 -16.852 -0.297 0.305 2 HB1 ALA 1 HB1 ALA 1 -14.476 -2.052 0.899 3 HB2 ALA 1 HB2 ALA 1 -16.117 -2.613 0.580 4 HB3 ALA 1 HB3 ALA 1 -15.778 -1.649 2.016 5 H SER 2 H SER 2 -13.343 -0.014 -0.242 6 HA SER 2 HA SER 2 -13.435 2.651 0.948 7 HB2 SER 2 HB2 SER 2 -11.690 0.447 2.108 8 HB3 SER 2 HB3 SER 2 -11.523 2.153 2.504 9 HG SER 2 HG SER 2 -14.094 1.377 2.784 10 HA PRO 3 HA PRO 3 -10.594 1.598 -2.757 11 HB2 PRO 3 HB2 PRO 3 -11.952 3.994 -3.874 12 HB3 PRO 3 HB3 PRO 3 -11.565 2.441 -4.649 13 HG2 PRO 3 HG2 PRO 3 -14.063 3.028 -3.944 14 HG3 PRO 3 HG3 PRO 3 -13.413 1.385 -3.762 15 HD2 PRO 3 HD2 PRO 3 -13.866 3.473 -1.635 16 HD3 PRO 3 HD3 PRO 3 -14.091 1.699 -1.559 17 H GLN 4 H GLN 4 -11.433 4.934 -1.708 18 HA GLN 4 HA GLN 4 -9.055 6.044 -2.730 19 HB2 GLN 4 HB2 GLN 4 -10.985 7.102 -0.670 20 HB3 GLN 4 HB3 GLN 4 -9.583 8.010 -1.213 21 HG2 GLN 4 HG2 GLN 4 -10.494 7.789 -3.567 22 HG3 GLN 4 HG3 GLN 4 -11.975 7.169 -2.843 23 HE21 GLN 4 HE21 GLN 4 -11.705 8.934 -0.495 24 HE22 GLN 4 HE22 GLN 4 -12.151 10.511 -1.053 25 H GLN 5 H GLN 5 -9.910 5.156 0.597 26 HA GLN 5 HA GLN 5 -7.480 5.903 1.762 27 HB2 GLN 5 HB2 GLN 5 -9.426 3.740 2.564 28 HB3 GLN 5 HB3 GLN 5 -8.033 4.187 3.531 29 HG2 GLN 5 HG2 GLN 5 -9.855 5.322 4.489 30 HG3 GLN 5 HG3 GLN 5 -8.974 6.538 3.570 31 HE21 GLN 5 HE21 GLN 5 -11.067 4.128 2.122 32 HE22 GLN 5 HE22 GLN 5 -12.291 5.236 1.602 33 H ALA 6 H ALA 6 -8.458 2.896 0.216 34 HA ALA 6 HA ALA 6 -6.097 1.467 0.829 35 HB1 ALA 6 HB1 ALA 6 -6.808 -0.137 -0.805 36 HB2 ALA 6 HB2 ALA 6 -7.916 1.028 -1.525 37 HB3 ALA 6 HB3 ALA 6 -8.218 0.414 0.101 38 H LYS 7 H LYS 7 -7.072 3.459 -1.907 39 HA LYS 7 HA LYS 7 -4.785 3.009 -3.490 40 HB2 LYS 7 HB2 LYS 7 -6.877 4.012 -4.351 41 HB3 LYS 7 HB3 LYS 7 -6.566 5.455 -3.400 42 HG2 LYS 7 HG2 LYS 7 -5.972 5.794 -5.729 43 HG3 LYS 7 HG3 LYS 7 -4.536 5.890 -4.677 44 HD2 LYS 7 HD2 LYS 7 -3.904 3.614 -5.288 45 HD3 LYS 7 HD3 LYS 7 -5.375 3.429 -6.251 46 HE2 LYS 7 HE2 LYS 7 -3.128 5.380 -6.789 47 HE3 LYS 7 HE3 LYS 7 -3.443 3.898 -7.690 48 HZ1 LYS 7 HZ1 LYS 7 -5.603 4.832 -8.329 49 HZ2 LYS 7 HZ2 LYS 7 -4.313 5.774 -8.873 50 HZ3 LYS 7 HZ3 LYS 7 -5.216 6.278 -7.538 51 H TYR 8 H TYR 8 -5.464 5.258 -0.868 52 HA TYR 8 HA TYR 8 -3.128 6.820 -1.145 53 HB2 TYR 8 HB2 TYR 8 -5.096 7.477 0.250 54 HB3 TYR 8 HB3 TYR 8 -4.634 6.229 1.412 55 HD1 TYR 8 HD1 TYR 8 -2.895 6.604 2.995 56 HD2 TYR 8 HD2 TYR 8 -3.567 9.399 -0.136 57 HE1 TYR 8 HE1 TYR 8 -1.369 8.187 4.092 58 HE2 TYR 8 HE2 TYR 8 -2.052 10.995 0.953 59 HH TYR 8 HH TYR 8 -1.114 11.476 3.102 60 H CYS 9 H CYS 9 -3.860 3.920 0.751 61 HA CYS 9 HA CYS 9 -1.352 3.614 1.964 62 HB2 CYS 9 HB2 CYS 9 -3.221 2.245 2.696 63 HB3 CYS 9 HB3 CYS 9 -3.349 1.495 1.099 64 H TYR 10 H TYR 10 -2.594 2.218 -1.061 65 HA TYR 10 HA TYR 10 -0.228 0.890 -1.785 66 HB2 TYR 10 HB2 TYR 10 -2.637 1.821 -3.330 67 HB3 TYR 10 HB3 TYR 10 -1.237 1.156 -4.178 68 HD1 TYR 10 HD1 TYR 10 -0.583 -1.167 -3.854 69 HD2 TYR 10 HD2 TYR 10 -4.090 0.394 -2.027 70 HE1 TYR 10 HE1 TYR 10 -1.381 -3.441 -3.448 71 HE2 TYR 10 HE2 TYR 10 -4.893 -1.882 -1.612 72 HH TYR 10 HH TYR 10 -4.585 -4.128 -2.480 73 H GLU 11 H GLU 11 -1.196 4.211 -2.148 74 HA GLU 11 HA GLU 11 0.792 4.981 -4.003 75 HB2 GLU 11 HB2 GLU 11 -1.226 6.346 -3.418 76 HB3 GLU 11 HB3 GLU 11 -0.481 6.659 -1.835 77 HG2 GLU 11 HG2 GLU 11 -0.206 8.517 -3.426 78 HG3 GLU 11 HG3 GLU 11 1.334 7.838 -2.850 79 H GLN 12 H GLN 12 0.648 5.333 -0.454 80 HA GLN 12 HA GLN 12 3.334 6.343 -0.413 81 HB2 GLN 12 HB2 GLN 12 1.375 5.767 1.804 82 HB3 GLN 12 HB3 GLN 12 2.946 6.506 2.046 83 HG2 GLN 12 HG2 GLN 12 0.821 7.630 0.256 84 HG3 GLN 12 HG3 GLN 12 1.042 8.093 1.939 85 HE21 GLN 12 HE21 GLN 12 2.328 8.253 -1.266 86 HE22 GLN 12 HE22 GLN 12 3.495 9.498 -0.965 87 H CYS 13 H CYS 13 1.924 3.199 0.015 88 HA CYS 13 HA CYS 13 3.669 2.146 1.936 89 HB2 CYS 13 HB2 CYS 13 2.998 -0.076 1.127 90 HB3 CYS 13 HB3 CYS 13 1.595 0.993 1.239 91 H ASN 14 H ASN 14 3.928 1.827 -1.626 92 HA ASN 14 HA ASN 14 6.530 0.680 -1.502 93 HB2 ASN 14 HB2 ASN 14 6.645 1.186 -3.940 94 HB3 ASN 14 HB3 ASN 14 5.175 0.345 -3.480 95 HD21 ASN 14 HD21 ASN 14 6.485 3.494 -4.443 96 HD22 ASN 14 HD22 ASN 14 4.961 4.153 -4.939 97 H VAL 15 H VAL 15 5.372 3.942 -1.494 98 HA VAL 15 HA VAL 15 7.798 5.222 -2.204 99 HB VAL 15 HB VAL 15 5.370 6.225 -0.712 100 HG11 VAL 15 HG11 VAL 15 7.738 7.823 -1.690 101 HG12 VAL 15 HG12 VAL 15 7.335 7.505 -0.004 102 HG13 VAL 15 HG13 VAL 15 6.258 8.486 -0.998 103 HG21 VAL 15 HG21 VAL 15 6.370 6.756 -3.515 104 HG22 VAL 15 HG22 VAL 15 4.902 7.416 -2.794 105 HG23 VAL 15 HG23 VAL 15 5.038 5.683 -3.088 106 H ASN 16 H ASN 16 6.335 4.313 0.908 107 HA ASN 16 HA ASN 16 8.416 5.493 2.477 108 HB2 ASN 16 HB2 ASN 16 6.492 3.258 3.224 109 HB3 ASN 16 HB3 ASN 16 7.494 4.180 4.349 110 HD21 ASN 16 HD21 ASN 16 7.024 6.691 2.885 111 HD22 ASN 16 HD22 ASN 16 5.409 7.160 3.301 112 H LYS 17 H LYS 17 7.627 2.032 2.443 113 HA LYS 17 HA LYS 17 9.788 1.120 1.021 114 HB2 LYS 17 HB2 LYS 17 11.347 0.257 2.683 115 HB3 LYS 17 HB3 LYS 17 11.220 2.013 2.805 116 HG2 LYS 17 HG2 LYS 17 9.798 0.071 4.638 117 HG3 LYS 17 HG3 LYS 17 11.370 0.793 4.986 118 HD2 LYS 17 HD2 LYS 17 10.376 3.035 4.892 119 HD3 LYS 17 HD3 LYS 17 8.781 2.334 4.552 120 HE2 LYS 17 HE2 LYS 17 8.904 2.870 6.893 121 HE3 LYS 17 HE3 LYS 17 8.951 1.116 6.732 122 HZ1 LYS 17 HZ1 LYS 17 11.349 1.196 7.017 123 HZ2 LYS 17 HZ2 LYS 17 10.566 1.903 8.338 124 HZ3 LYS 17 HZ3 LYS 17 11.299 2.879 7.167 125 H VAL 18 H VAL 18 7.887 -0.136 0.359 126 HA VAL 18 HA VAL 18 7.999 -2.682 1.739 127 HB VAL 18 HB VAL 18 5.817 -3.002 2.320 128 HG11 VAL 18 HG11 VAL 18 5.766 0.013 2.322 129 HG12 VAL 18 HG12 VAL 18 6.456 -1.015 3.576 130 HG13 VAL 18 HG13 VAL 18 4.722 -1.057 3.260 131 HG21 VAL 18 HG21 VAL 18 4.907 -1.105 0.163 132 HG22 VAL 18 HG22 VAL 18 3.865 -2.109 1.178 133 HG23 VAL 18 HG23 VAL 18 4.992 -2.864 0.044 134 HA PRO 19 HA PRO 19 7.917 -4.043 -2.544 135 HB2 PRO 19 HB2 PRO 19 6.960 -6.593 -1.416 136 HB3 PRO 19 HB3 PRO 19 8.413 -6.269 -2.377 137 HG2 PRO 19 HG2 PRO 19 8.554 -6.834 0.249 138 HG3 PRO 19 HG3 PRO 19 9.676 -5.712 -0.543 139 HD2 PRO 19 HD2 PRO 19 7.316 -5.102 1.199 140 HD3 PRO 19 HD3 PRO 19 8.896 -4.288 1.084 141 H PHE 20 H PHE 20 6.291 -4.536 -4.108 142 HA PHE 20 HA PHE 20 3.753 -3.520 -3.579 143 HB2 PHE 20 HB2 PHE 20 4.716 -3.726 -5.855 144 HB3 PHE 20 HB3 PHE 20 4.479 -5.467 -5.781 145 HD1 PHE 20 HD1 PHE 20 2.332 -6.445 -6.121 146 HD2 PHE 20 HD2 PHE 20 2.783 -2.217 -5.956 147 HE1 PHE 20 HE1 PHE 20 0.055 -6.172 -7.010 148 HE2 PHE 20 HE2 PHE 20 0.504 -1.937 -6.842 149 HZ PHE 20 HZ PHE 20 -0.862 -3.916 -7.371 150 H ASP 21 H ASP 21 4.819 -6.908 -3.632 151 HA ASP 21 HA ASP 21 2.260 -8.045 -3.313 152 HB2 ASP 21 HB2 ASP 21 3.357 -10.104 -2.800 153 HB3 ASP 21 HB3 ASP 21 4.333 -9.295 -4.021 154 H GLN 22 H GLN 22 4.569 -6.775 -0.997 155 HA GLN 22 HA GLN 22 3.156 -7.677 1.309 156 HB2 GLN 22 HB2 GLN 22 5.532 -7.025 1.424 157 HB3 GLN 22 HB3 GLN 22 5.097 -5.365 1.030 158 HG2 GLN 22 HG2 GLN 22 3.677 -5.348 3.093 159 HG3 GLN 22 HG3 GLN 22 4.391 -6.912 3.506 160 HE21 GLN 22 HE21 GLN 22 4.518 -4.374 4.919 161 HE22 GLN 22 HE22 GLN 22 6.201 -4.000 5.083 162 H CYS 23 H CYS 23 3.130 -4.729 -0.647 163 HA CYS 23 HA CYS 23 1.379 -3.242 1.007 164 HB2 CYS 23 HB2 CYS 23 2.744 -2.328 -0.963 165 HB3 CYS 23 HB3 CYS 23 1.491 -2.998 -2.011 166 H TYR 24 H TYR 24 0.817 -5.453 -1.677 167 HA TYR 24 HA TYR 24 -1.991 -5.309 -1.724 168 HB2 TYR 24 HB2 TYR 24 -0.338 -6.466 -3.390 169 HB3 TYR 24 HB3 TYR 24 -0.475 -7.854 -2.300 170 HD1 TYR 24 HD1 TYR 24 -2.021 -5.987 -4.951 171 HD2 TYR 24 HD2 TYR 24 -2.736 -8.869 -1.910 172 HE1 TYR 24 HE1 TYR 24 -4.091 -6.657 -6.084 173 HE2 TYR 24 HE2 TYR 24 -4.811 -9.545 -3.030 174 HH TYR 24 HH TYR 24 -6.443 -8.623 -4.603 175 H GLN 25 H GLN 25 0.256 -7.078 0.289 176 HA GLN 25 HA GLN 25 -1.580 -9.010 1.255 177 HB2 GLN 25 HB2 GLN 25 0.922 -9.238 1.229 178 HB3 GLN 25 HB3 GLN 25 1.009 -8.017 2.490 179 HG2 GLN 25 HG2 GLN 25 -0.206 -9.489 4.015 180 HG3 GLN 25 HG3 GLN 25 -0.317 -10.711 2.748 181 HE21 GLN 25 HE21 GLN 25 1.776 -9.091 4.989 182 HE22 GLN 25 HE22 GLN 25 3.110 -10.190 4.842 183 H MET 26 H MET 26 -0.582 -5.825 2.317 184 HA MET 26 HA MET 26 -1.968 -6.108 4.845 185 HB2 MET 26 HB2 MET 26 0.117 -5.004 5.023 186 HB3 MET 26 HB3 MET 26 -0.223 -3.982 3.638 187 HG2 MET 26 HG2 MET 26 -1.976 -2.832 4.960 188 HG3 MET 26 HG3 MET 26 -1.512 -3.805 6.357 189 HE1 MET 26 HE1 MET 26 -0.120 -1.323 3.635 190 HE2 MET 26 HE2 MET 26 1.201 -2.485 3.760 191 HE3 MET 26 HE3 MET 26 1.420 -0.840 4.346 192 H CYS 27 H CYS 27 -2.254 -4.052 1.922 193 HA CYS 27 HA CYS 27 -4.617 -2.875 3.196 194 HB2 CYS 27 HB2 CYS 27 -2.781 -1.795 1.057 195 HB3 CYS 27 HB3 CYS 27 -4.336 -1.038 1.472 196 H SER 28 H SER 28 -4.132 -5.276 0.962 197 HA SER 28 HA SER 28 -6.337 -4.681 -0.710 198 HB2 SER 28 HB2 SER 28 -4.752 -6.496 -1.279 199 HB3 SER 28 HB3 SER 28 -5.410 -7.453 0.057 200 HG SER 28 HG SER 28 -6.763 -8.116 -1.405 201 HA PRO 29 HA PRO 29 -9.017 -7.016 2.696 202 HB2 PRO 29 HB2 PRO 29 -7.296 -6.357 5.037 203 HB3 PRO 29 HB3 PRO 29 -8.306 -7.789 4.748 204 HG2 PRO 29 HG2 PRO 29 -5.677 -7.982 4.494 205 HG3 PRO 29 HG3 PRO 29 -6.748 -8.763 3.301 206 HD2 PRO 29 HD2 PRO 29 -5.204 -6.188 3.066 207 HD3 PRO 29 HD3 PRO 29 -5.428 -7.486 1.869 208 H LEU 30 H LEU 30 -7.136 -4.128 3.090 209 HA LEU 30 HA LEU 30 -8.850 -2.617 4.730 210 HB2 LEU 30 HB2 LEU 30 -6.469 -2.053 3.997 211 HB3 LEU 30 HB3 LEU 30 -7.159 -1.573 2.438 212 HG LEU 30 HG LEU 30 -7.853 -0.267 5.092 213 HD11 LEU 30 HD11 LEU 30 -6.432 1.600 4.209 214 HD12 LEU 30 HD12 LEU 30 -5.858 0.491 2.964 215 HD13 LEU 30 HD13 LEU 30 -5.540 0.148 4.662 216 HD21 LEU 30 HD21 LEU 30 -8.335 0.672 2.259 217 HD22 LEU 30 HD22 LEU 30 -8.821 1.494 3.742 218 HD23 LEU 30 HD23 LEU 30 -9.559 -0.050 3.303 219 H GLU 31 H GLU 31 -8.670 -3.054 1.246 220 HA GLU 31 HA GLU 31 -11.012 -1.418 0.784 221 HB2 GLU 31 HB2 GLU 31 -8.889 -1.825 -0.765 222 HB3 GLU 31 HB3 GLU 31 -9.853 -3.200 -1.320 223 HG2 GLU 31 HG2 GLU 31 -10.711 -0.298 -1.399 224 HG3 GLU 31 HG3 GLU 31 -10.129 -1.250 -2.772 225 H ARG 32 H ARG 32 -10.235 -4.716 -0.259 226 HA ARG 32 HA ARG 32 -12.666 -5.803 0.862 227 HB2 ARG 32 HB2 ARG 32 -12.290 -5.469 -2.117 228 HB3 ARG 32 HB3 ARG 32 -13.314 -6.751 -1.465 229 HG2 ARG 32 HG2 ARG 32 -14.791 -5.096 -0.445 230 HG3 ARG 32 HG3 ARG 32 -13.710 -3.790 -0.938 231 HD2 ARG 32 HD2 ARG 32 -15.758 -4.113 -2.358 232 HD3 ARG 32 HD3 ARG 32 -14.231 -4.105 -3.233 233 HE ARG 32 HE ARG 32 -15.475 -6.659 -2.472 234 HH11 ARG 32 HH11 ARG 32 -14.396 -4.433 -4.951 235 HH12 ARG 32 HH12 ARG 32 -14.567 -5.584 -6.235 236 HH21 ARG 32 HH21 ARG 32 -15.713 -8.170 -4.165 237 HH22 ARG 32 HH22 ARG 32 -15.329 -7.704 -5.793 238 H SER 33 H SER 33 -12.155 -7.772 1.569 239 HA SER 33 HA SER 33 -10.828 -9.646 -0.180 240 HB2 SER 33 HB2 SER 33 -9.575 -8.916 2.487 241 HB3 SER 33 HB3 SER 33 -9.157 -10.354 1.562 242 HG SER 33 HG SER 33 -9.080 -7.977 0.152 Start of MODEL 31 1 HA ALA 1 HA ALA 1 -15.936 -0.067 0.100 2 HB1 ALA 1 HB1 ALA 1 -12.993 -0.716 0.107 3 HB2 ALA 1 HB2 ALA 1 -14.298 -1.882 0.335 4 HB3 ALA 1 HB3 ALA 1 -14.046 -0.598 1.516 5 H SER 2 H SER 2 -12.932 1.191 -1.330 6 HA SER 2 HA SER 2 -13.646 3.915 -0.981 7 HB2 SER 2 HB2 SER 2 -13.191 3.261 1.434 8 HB3 SER 2 HB3 SER 2 -11.528 2.916 0.954 9 HG SER 2 HG SER 2 -12.363 5.183 1.755 10 HA PRO 3 HA PRO 3 -10.499 2.466 -4.163 11 HB2 PRO 3 HB2 PRO 3 -11.768 4.874 -5.411 12 HB3 PRO 3 HB3 PRO 3 -11.259 3.345 -6.167 13 HG2 PRO 3 HG2 PRO 3 -13.810 3.740 -5.672 14 HG3 PRO 3 HG3 PRO 3 -13.073 2.170 -5.283 15 HD2 PRO 3 HD2 PRO 3 -13.817 4.412 -3.409 16 HD3 PRO 3 HD3 PRO 3 -13.954 2.638 -3.185 17 H GLN 4 H GLN 4 -11.158 5.793 -3.104 18 HA GLN 4 HA GLN 4 -8.619 6.749 -4.018 19 HB2 GLN 4 HB2 GLN 4 -10.745 7.998 -2.280 20 HB3 GLN 4 HB3 GLN 4 -9.250 8.824 -2.696 21 HG2 GLN 4 HG2 GLN 4 -9.806 8.774 -5.044 22 HG3 GLN 4 HG3 GLN 4 -11.228 7.784 -4.728 23 HE21 GLN 4 HE21 GLN 4 -11.993 9.257 -2.345 24 HE22 GLN 4 HE22 GLN 4 -12.627 10.769 -2.896 25 H GLN 5 H GLN 5 -9.948 6.000 -0.816 26 HA GLN 5 HA GLN 5 -7.553 6.650 0.561 27 HB2 GLN 5 HB2 GLN 5 -9.980 5.064 1.330 28 HB3 GLN 5 HB3 GLN 5 -8.584 5.156 2.390 29 HG2 GLN 5 HG2 GLN 5 -10.085 7.559 1.362 30 HG3 GLN 5 HG3 GLN 5 -10.376 6.799 2.927 31 HE21 GLN 5 HE21 GLN 5 -7.550 6.204 3.370 32 HE22 GLN 5 HE22 GLN 5 -6.798 7.717 3.760 33 H ALA 6 H ALA 6 -8.802 3.720 -0.883 34 HA ALA 6 HA ALA 6 -6.823 1.957 0.078 35 HB1 ALA 6 HB1 ALA 6 -8.766 0.999 -0.897 36 HB2 ALA 6 HB2 ALA 6 -7.412 0.587 -1.954 37 HB3 ALA 6 HB3 ALA 6 -8.517 1.879 -2.402 38 H LYS 7 H LYS 7 -6.965 4.043 -2.777 39 HA LYS 7 HA LYS 7 -4.542 3.163 -3.925 40 HB2 LYS 7 HB2 LYS 7 -6.251 4.512 -5.141 41 HB3 LYS 7 HB3 LYS 7 -5.803 5.903 -4.165 42 HG2 LYS 7 HG2 LYS 7 -4.759 6.016 -6.348 43 HG3 LYS 7 HG3 LYS 7 -3.531 5.828 -5.068 44 HD2 LYS 7 HD2 LYS 7 -3.435 3.400 -5.554 45 HD3 LYS 7 HD3 LYS 7 -4.617 3.616 -6.850 46 HE2 LYS 7 HE2 LYS 7 -1.848 4.822 -6.718 47 HE3 LYS 7 HE3 LYS 7 -2.363 3.512 -7.779 48 HZ1 LYS 7 HZ1 LYS 7 -3.359 6.310 -7.844 49 HZ2 LYS 7 HZ2 LYS 7 -3.903 5.058 -8.842 50 HZ3 LYS 7 HZ3 LYS 7 -2.305 5.599 -8.958 51 H TYR 8 H TYR 8 -5.304 5.586 -1.504 52 HA TYR 8 HA TYR 8 -2.741 6.729 -1.270 53 HB2 TYR 8 HB2 TYR 8 -4.797 7.742 -0.318 54 HB3 TYR 8 HB3 TYR 8 -4.868 6.432 0.862 55 HD1 TYR 8 HD1 TYR 8 -2.672 9.193 -0.307 56 HD2 TYR 8 HD2 TYR 8 -3.803 6.662 2.920 57 HE1 TYR 8 HE1 TYR 8 -1.265 10.515 1.215 58 HE2 TYR 8 HE2 TYR 8 -2.400 7.976 4.450 59 HH TYR 8 HH TYR 8 -1.093 11.007 3.595 60 H CYS 9 H CYS 9 -4.304 4.021 0.351 61 HA CYS 9 HA CYS 9 -2.339 3.357 2.210 62 HB2 CYS 9 HB2 CYS 9 -4.586 2.351 2.176 63 HB3 CYS 9 HB3 CYS 9 -4.197 1.504 0.674 64 H TYR 10 H TYR 10 -2.744 2.173 -1.120 65 HA TYR 10 HA TYR 10 -0.396 0.571 -1.062 66 HB2 TYR 10 HB2 TYR 10 -2.129 1.562 -3.341 67 HB3 TYR 10 HB3 TYR 10 -0.731 0.505 -3.574 68 HD1 TYR 10 HD1 TYR 10 -0.715 -1.682 -2.225 69 HD2 TYR 10 HD2 TYR 10 -4.233 0.609 -2.903 70 HE1 TYR 10 HE1 TYR 10 -2.080 -3.652 -1.795 71 HE2 TYR 10 HE2 TYR 10 -5.608 -1.372 -2.471 72 HH TYR 10 HH TYR 10 -5.303 -3.885 -2.610 73 H GLU 11 H GLU 11 -1.067 3.870 -2.087 74 HA GLU 11 HA GLU 11 1.361 4.332 -3.429 75 HB2 GLU 11 HB2 GLU 11 -0.579 5.797 -3.720 76 HB3 GLU 11 HB3 GLU 11 -0.478 6.291 -2.017 77 HG2 GLU 11 HG2 GLU 11 1.680 7.338 -2.443 78 HG3 GLU 11 HG3 GLU 11 1.588 6.834 -4.147 79 H GLN 12 H GLN 12 0.434 4.755 -0.017 80 HA GLN 12 HA GLN 12 2.865 6.060 0.680 81 HB2 GLN 12 HB2 GLN 12 0.849 4.679 2.458 82 HB3 GLN 12 HB3 GLN 12 2.175 5.681 3.009 83 HG2 GLN 12 HG2 GLN 12 -0.113 6.570 1.303 84 HG3 GLN 12 HG3 GLN 12 0.107 6.902 3.013 85 HE21 GLN 12 HE21 GLN 12 1.056 7.674 -0.196 86 HE22 GLN 12 HE22 GLN 12 1.985 9.087 0.186 87 H CYS 13 H CYS 13 1.983 2.773 0.218 88 HA CYS 13 HA CYS 13 3.867 1.529 1.871 89 HB2 CYS 13 HB2 CYS 13 2.490 0.668 -0.667 90 HB3 CYS 13 HB3 CYS 13 3.774 -0.322 0.037 91 H ASN 14 H ASN 14 4.196 2.376 -1.615 92 HA ASN 14 HA ASN 14 6.951 1.611 -1.611 93 HB2 ASN 14 HB2 ASN 14 7.016 2.627 -3.878 94 HB3 ASN 14 HB3 ASN 14 5.691 1.492 -3.674 95 HD21 ASN 14 HD21 ASN 14 6.512 4.913 -3.949 96 HD22 ASN 14 HD22 ASN 14 4.909 5.430 -4.351 97 H VAL 15 H VAL 15 5.227 4.565 -0.988 98 HA VAL 15 HA VAL 15 7.307 6.412 -1.198 99 HB VAL 15 HB VAL 15 4.891 6.366 0.612 100 HG11 VAL 15 HG11 VAL 15 5.331 8.728 1.106 101 HG12 VAL 15 HG12 VAL 15 6.854 8.630 0.221 102 HG13 VAL 15 HG13 VAL 15 6.634 7.698 1.703 103 HG21 VAL 15 HG21 VAL 15 4.427 6.608 -1.773 104 HG22 VAL 15 HG22 VAL 15 5.562 7.953 -1.872 105 HG23 VAL 15 HG23 VAL 15 4.086 8.116 -0.927 106 H ASN 16 H ASN 16 6.421 4.254 1.485 107 HA ASN 16 HA ASN 16 8.654 5.265 3.060 108 HB2 ASN 16 HB2 ASN 16 6.600 3.096 3.588 109 HB3 ASN 16 HB3 ASN 16 7.965 3.408 4.657 110 HD21 ASN 16 HD21 ASN 16 4.945 4.693 3.442 111 HD22 ASN 16 HD22 ASN 16 4.793 5.930 4.645 112 H LYS 17 H LYS 17 7.790 1.866 2.490 113 HA LYS 17 HA LYS 17 9.691 1.229 0.606 114 HB2 LYS 17 HB2 LYS 17 11.350 1.835 2.363 115 HB3 LYS 17 HB3 LYS 17 10.690 0.539 3.375 116 HG2 LYS 17 HG2 LYS 17 11.381 -1.136 1.802 117 HG3 LYS 17 HG3 LYS 17 11.862 0.095 0.630 118 HD2 LYS 17 HD2 LYS 17 13.621 0.885 2.093 119 HD3 LYS 17 HD3 LYS 17 13.130 -0.252 3.369 120 HE2 LYS 17 HE2 LYS 17 13.676 -2.128 1.892 121 HE3 LYS 17 HE3 LYS 17 14.110 -1.007 0.606 122 HZ1 LYS 17 HZ1 LYS 17 16.050 -1.847 1.769 123 HZ2 LYS 17 HZ2 LYS 17 15.479 -1.216 3.230 124 HZ3 LYS 17 HZ3 LYS 17 15.905 -0.173 1.967 125 H VAL 18 H VAL 18 7.718 0.040 0.063 126 HA VAL 18 HA VAL 18 7.987 -2.679 0.911 127 HB VAL 18 HB VAL 18 6.451 -2.704 2.554 128 HG11 VAL 18 HG11 VAL 18 6.543 -0.283 2.809 129 HG12 VAL 18 HG12 VAL 18 4.909 -0.889 3.077 130 HG13 VAL 18 HG13 VAL 18 5.319 -0.095 1.557 131 HG21 VAL 18 HG21 VAL 18 4.119 -2.916 1.895 132 HG22 VAL 18 HG22 VAL 18 5.168 -3.710 0.720 133 HG23 VAL 18 HG23 VAL 18 4.471 -2.139 0.352 134 HA PRO 19 HA PRO 19 6.929 -3.044 -3.414 135 HB2 PRO 19 HB2 PRO 19 6.542 -5.886 -2.680 136 HB3 PRO 19 HB3 PRO 19 7.610 -5.177 -3.905 137 HG2 PRO 19 HG2 PRO 19 8.601 -6.173 -1.631 138 HG3 PRO 19 HG3 PRO 19 9.284 -4.723 -2.390 139 HD2 PRO 19 HD2 PRO 19 7.480 -4.928 -0.001 140 HD3 PRO 19 HD3 PRO 19 8.855 -3.840 -0.311 141 H PHE 20 H PHE 20 5.066 -3.541 -4.700 142 HA PHE 20 HA PHE 20 2.632 -2.941 -3.520 143 HB2 PHE 20 HB2 PHE 20 3.172 -2.743 -5.967 144 HB3 PHE 20 HB3 PHE 20 2.931 -4.481 -6.105 145 HD1 PHE 20 HD1 PHE 20 0.716 -5.447 -5.971 146 HD2 PHE 20 HD2 PHE 20 1.312 -1.253 -5.569 147 HE1 PHE 20 HE1 PHE 20 -1.695 -5.078 -6.296 148 HE2 PHE 20 HE2 PHE 20 -1.098 -0.875 -5.888 149 HZ PHE 20 HZ PHE 20 -2.606 -2.788 -6.251 150 H ASP 21 H ASP 21 3.872 -6.165 -4.417 151 HA ASP 21 HA ASP 21 1.522 -7.579 -3.778 152 HB2 ASP 21 HB2 ASP 21 2.862 -9.592 -3.791 153 HB3 ASP 21 HB3 ASP 21 3.387 -8.552 -5.110 154 H GLN 22 H GLN 22 4.337 -6.735 -1.827 155 HA GLN 22 HA GLN 22 3.442 -8.028 0.536 156 HB2 GLN 22 HB2 GLN 22 5.788 -7.423 0.158 157 HB3 GLN 22 HB3 GLN 22 5.363 -5.720 0.192 158 HG2 GLN 22 HG2 GLN 22 6.292 -6.306 2.301 159 HG3 GLN 22 HG3 GLN 22 4.555 -6.033 2.521 160 HE21 GLN 22 HE21 GLN 22 4.486 -7.269 4.387 161 HE22 GLN 22 HE22 GLN 22 4.598 -8.997 4.349 162 H CYS 23 H CYS 23 2.963 -4.817 -0.843 163 HA CYS 23 HA CYS 23 1.654 -3.681 1.404 164 HB2 CYS 23 HB2 CYS 23 2.470 -2.411 -0.669 165 HB3 CYS 23 HB3 CYS 23 1.014 -2.995 -1.476 166 H TYR 24 H TYR 24 0.497 -5.567 -1.352 167 HA TYR 24 HA TYR 24 -2.236 -5.558 -0.753 168 HB2 TYR 24 HB2 TYR 24 -1.112 -6.527 -2.836 169 HB3 TYR 24 HB3 TYR 24 -0.741 -7.951 -1.850 170 HD1 TYR 24 HD1 TYR 24 -3.335 -6.098 -3.600 171 HD2 TYR 24 HD2 TYR 24 -2.551 -9.408 -1.048 172 HE1 TYR 24 HE1 TYR 24 -5.557 -7.009 -4.106 173 HE2 TYR 24 HE2 TYR 24 -4.771 -10.326 -1.544 174 HH TYR 24 HH TYR 24 -6.935 -9.609 -2.330 175 H GLN 25 H GLN 25 0.414 -7.372 0.649 176 HA GLN 25 HA GLN 25 -1.157 -9.308 1.967 177 HB2 GLN 25 HB2 GLN 25 1.260 -9.614 1.613 178 HB3 GLN 25 HB3 GLN 25 1.601 -8.219 2.633 179 HG2 GLN 25 HG2 GLN 25 0.674 -9.397 4.565 180 HG3 GLN 25 HG3 GLN 25 0.329 -10.794 3.550 181 HE21 GLN 25 HE21 GLN 25 2.040 -10.508 5.913 182 HE22 GLN 25 HE22 GLN 25 3.604 -11.065 5.420 183 H MET 26 H MET 26 0.037 -6.116 2.911 184 HA MET 26 HA MET 26 -1.139 -6.363 5.550 185 HB2 MET 26 HB2 MET 26 1.007 -5.288 5.427 186 HB3 MET 26 HB3 MET 26 0.434 -4.180 4.194 187 HG2 MET 26 HG2 MET 26 -1.102 -3.177 5.864 188 HG3 MET 26 HG3 MET 26 -0.398 -4.231 7.091 189 HE1 MET 26 HE1 MET 26 1.635 -2.519 4.134 190 HE2 MET 26 HE2 MET 26 2.035 -0.973 4.878 191 HE3 MET 26 HE3 MET 26 0.357 -1.361 4.499 192 H CYS 27 H CYS 27 -1.783 -4.615 2.546 193 HA CYS 27 HA CYS 27 -3.856 -3.027 3.850 194 HB2 CYS 27 HB2 CYS 27 -2.206 -2.118 2.058 195 HB3 CYS 27 HB3 CYS 27 -3.250 -2.956 0.888 196 H SER 28 H SER 28 -3.785 -6.073 2.576 197 HA SER 28 HA SER 28 -6.017 -6.216 0.946 198 HB2 SER 28 HB2 SER 28 -6.190 -8.629 1.785 199 HB3 SER 28 HB3 SER 28 -4.679 -8.137 1.011 200 HG SER 28 HG SER 28 -3.655 -8.411 2.830 201 HA PRO 29 HA PRO 29 -8.767 -6.789 5.044 202 HB2 PRO 29 HB2 PRO 29 -7.237 -4.718 6.558 203 HB3 PRO 29 HB3 PRO 29 -8.155 -6.111 7.168 204 HG2 PRO 29 HG2 PRO 29 -5.514 -6.236 7.095 205 HG3 PRO 29 HG3 PRO 29 -6.483 -7.639 6.577 206 HD2 PRO 29 HD2 PRO 29 -5.032 -5.609 4.899 207 HD3 PRO 29 HD3 PRO 29 -5.199 -7.367 4.661 208 H LEU 30 H LEU 30 -7.260 -3.997 3.628 209 HA LEU 30 HA LEU 30 -9.546 -2.284 4.199 210 HB2 LEU 30 HB2 LEU 30 -7.008 -1.605 4.195 211 HB3 LEU 30 HB3 LEU 30 -7.234 -1.513 2.441 212 HG LEU 30 HG LEU 30 -8.675 0.142 4.541 213 HD11 LEU 30 HD11 LEU 30 -6.380 0.832 4.185 214 HD12 LEU 30 HD12 LEU 30 -7.482 2.009 3.464 215 HD13 LEU 30 HD13 LEU 30 -6.633 0.849 2.438 216 HD21 LEU 30 HD21 LEU 30 -9.740 1.323 2.720 217 HD22 LEU 30 HD22 LEU 30 -10.136 -0.393 2.606 218 HD23 LEU 30 HD23 LEU 30 -8.923 0.306 1.534 219 H GLU 31 H GLU 31 -7.675 -2.992 1.260 220 HA GLU 31 HA GLU 31 -9.889 -2.169 -0.385 221 HB2 GLU 31 HB2 GLU 31 -7.605 -1.632 -1.053 222 HB3 GLU 31 HB3 GLU 31 -7.202 -3.350 -1.118 223 HG2 GLU 31 HG2 GLU 31 -7.540 -2.493 -3.350 224 HG3 GLU 31 HG3 GLU 31 -8.817 -3.646 -2.949 225 H ARG 32 H ARG 32 -7.965 -5.158 -0.551 226 HA ARG 32 HA ARG 32 -10.352 -6.780 -0.674 227 HB2 ARG 32 HB2 ARG 32 -8.583 -6.322 -3.081 228 HB3 ARG 32 HB3 ARG 32 -9.499 -7.818 -2.897 229 HG2 ARG 32 HG2 ARG 32 -10.763 -5.065 -2.931 230 HG3 ARG 32 HG3 ARG 32 -10.568 -6.069 -4.369 231 HD2 ARG 32 HD2 ARG 32 -12.339 -6.505 -1.982 232 HD3 ARG 32 HD3 ARG 32 -12.744 -6.505 -3.690 233 HE ARG 32 HE ARG 32 -11.134 -8.617 -3.573 234 HH11 ARG 32 HH11 ARG 32 -13.788 -7.658 -1.507 235 HH12 ARG 32 HH12 ARG 32 -14.225 -9.286 -1.098 236 HH21 ARG 32 HH21 ARG 32 -11.687 -10.757 -3.017 237 HH22 ARG 32 HH22 ARG 32 -13.019 -11.050 -1.942 238 H SER 33 H SER 33 -9.997 -8.830 -0.076 239 HA SER 33 HA SER 33 -7.191 -9.658 0.286 240 HB2 SER 33 HB2 SER 33 -9.635 -10.747 1.730 241 HB3 SER 33 HB3 SER 33 -7.947 -11.115 2.082 242 HG SER 33 HG SER 33 -8.607 -8.422 2.104 Start of MODEL 32 1 HA ALA 1 HA ALA 1 -15.158 1.127 2.553 2 HB1 ALA 1 HB1 ALA 1 -17.399 2.189 0.833 3 HB2 ALA 1 HB2 ALA 1 -17.155 0.499 1.268 4 HB3 ALA 1 HB3 ALA 1 -15.966 1.331 0.269 5 H SER 2 H SER 2 -13.873 2.363 0.914 6 HA SER 2 HA SER 2 -14.036 5.182 0.733 7 HB2 SER 2 HB2 SER 2 -13.460 5.019 3.174 8 HB3 SER 2 HB3 SER 2 -11.978 4.178 2.726 9 HG SER 2 HG SER 2 -12.495 6.823 2.741 10 HA PRO 3 HA PRO 3 -11.344 2.987 -2.367 11 HB2 PRO 3 HB2 PRO 3 -12.261 5.368 -3.905 12 HB3 PRO 3 HB3 PRO 3 -12.162 3.664 -4.405 13 HG2 PRO 3 HG2 PRO 3 -14.513 4.784 -3.852 14 HG3 PRO 3 HG3 PRO 3 -14.156 3.109 -3.386 15 HD2 PRO 3 HD2 PRO 3 -14.248 5.563 -1.652 16 HD3 PRO 3 HD3 PRO 3 -14.732 3.878 -1.279 17 H GLN 4 H GLN 4 -11.537 6.290 -1.255 18 HA GLN 4 HA GLN 4 -9.171 7.264 -2.448 19 HB2 GLN 4 HB2 GLN 4 -10.486 8.226 0.100 20 HB3 GLN 4 HB3 GLN 4 -9.338 9.126 -0.878 21 HG2 GLN 4 HG2 GLN 4 -11.387 10.051 -1.487 22 HG3 GLN 4 HG3 GLN 4 -11.086 8.879 -2.768 23 HE21 GLN 4 HE21 GLN 4 -12.135 8.069 0.492 24 HE22 GLN 4 HE22 GLN 4 -13.707 7.497 0.037 25 H GLN 5 H GLN 5 -9.835 5.843 0.711 26 HA GLN 5 HA GLN 5 -7.225 6.245 1.737 27 HB2 GLN 5 HB2 GLN 5 -9.420 4.357 2.568 28 HB3 GLN 5 HB3 GLN 5 -7.885 4.461 3.412 29 HG2 GLN 5 HG2 GLN 5 -8.307 6.791 3.961 30 HG3 GLN 5 HG3 GLN 5 -9.813 6.756 3.050 31 HE21 GLN 5 HE21 GLN 5 -8.733 4.081 5.021 32 HE22 GLN 5 HE22 GLN 5 -9.951 4.242 6.238 33 H ALA 6 H ALA 6 -8.758 3.611 0.011 34 HA ALA 6 HA ALA 6 -6.665 1.742 0.222 35 HB1 ALA 6 HB1 ALA 6 -8.658 2.073 -2.017 36 HB2 ALA 6 HB2 ALA 6 -8.882 1.093 -0.566 37 HB3 ALA 6 HB3 ALA 6 -7.640 0.661 -1.746 38 H LYS 7 H LYS 7 -7.305 4.312 -2.119 39 HA LYS 7 HA LYS 7 -5.119 3.670 -3.814 40 HB2 LYS 7 HB2 LYS 7 -7.199 5.111 -4.319 41 HB3 LYS 7 HB3 LYS 7 -6.331 6.414 -3.523 42 HG2 LYS 7 HG2 LYS 7 -6.068 6.585 -5.910 43 HG3 LYS 7 HG3 LYS 7 -4.500 6.187 -5.158 44 HD2 LYS 7 HD2 LYS 7 -4.779 3.837 -5.774 45 HD3 LYS 7 HD3 LYS 7 -6.383 4.169 -6.434 46 HE2 LYS 7 HE2 LYS 7 -4.696 3.988 -8.219 47 HE3 LYS 7 HE3 LYS 7 -5.387 5.610 -8.145 48 HZ1 LYS 7 HZ1 LYS 7 -2.800 4.838 -6.916 49 HZ2 LYS 7 HZ2 LYS 7 -3.442 6.401 -7.025 50 HZ3 LYS 7 HZ3 LYS 7 -2.958 5.583 -8.425 51 H TYR 8 H TYR 8 -5.464 5.511 -0.899 52 HA TYR 8 HA TYR 8 -2.925 6.812 -1.000 53 HB2 TYR 8 HB2 TYR 8 -4.779 7.658 0.386 54 HB3 TYR 8 HB3 TYR 8 -4.719 6.188 1.356 55 HD1 TYR 8 HD1 TYR 8 -3.206 5.959 3.143 56 HD2 TYR 8 HD2 TYR 8 -2.841 9.249 0.474 57 HE1 TYR 8 HE1 TYR 8 -1.603 7.008 4.673 58 HE2 TYR 8 HE2 TYR 8 -1.232 10.316 2.002 59 HH TYR 8 HH TYR 8 -0.595 10.263 4.341 60 H CYS 9 H CYS 9 -4.157 3.849 0.506 61 HA CYS 9 HA CYS 9 -1.829 3.136 1.907 62 HB2 CYS 9 HB2 CYS 9 -4.094 2.090 2.219 63 HB3 CYS 9 HB3 CYS 9 -3.851 1.213 0.700 64 H TYR 10 H TYR 10 -2.917 2.245 -1.356 65 HA TYR 10 HA TYR 10 -0.648 0.621 -1.915 66 HB2 TYR 10 HB2 TYR 10 -2.811 1.828 -3.639 67 HB3 TYR 10 HB3 TYR 10 -1.447 0.955 -4.347 68 HD1 TYR 10 HD1 TYR 10 -1.077 -1.431 -3.709 69 HD2 TYR 10 HD2 TYR 10 -4.647 0.650 -2.696 70 HE1 TYR 10 HE1 TYR 10 -2.217 -3.568 -3.362 71 HE2 TYR 10 HE2 TYR 10 -5.797 -1.487 -2.344 72 HH TYR 10 HH TYR 10 -4.150 -4.453 -2.121 73 H GLU 11 H GLU 11 -1.203 4.035 -2.099 74 HA GLU 11 HA GLU 11 1.008 4.542 -3.847 75 HB2 GLU 11 HB2 GLU 11 -0.949 6.128 -3.497 76 HB3 GLU 11 HB3 GLU 11 -0.244 6.488 -1.906 77 HG2 GLU 11 HG2 GLU 11 1.786 7.297 -2.953 78 HG3 GLU 11 HG3 GLU 11 1.127 6.915 -4.561 79 H GLN 12 H GLN 12 0.446 5.034 -0.374 80 HA GLN 12 HA GLN 12 3.091 5.953 0.076 81 HB2 GLN 12 HB2 GLN 12 0.995 5.078 2.066 82 HB3 GLN 12 HB3 GLN 12 2.478 5.931 2.452 83 HG2 GLN 12 HG2 GLN 12 0.383 6.996 0.598 84 HG3 GLN 12 HG3 GLN 12 0.444 7.344 2.317 85 HE21 GLN 12 HE21 GLN 12 3.357 7.446 2.378 86 HE22 GLN 12 HE22 GLN 12 3.791 8.949 1.628 87 H CYS 13 H CYS 13 1.769 2.792 -0.107 88 HA CYS 13 HA CYS 13 3.373 1.500 1.807 89 HB2 CYS 13 HB2 CYS 13 2.835 -0.580 0.649 90 HB3 CYS 13 HB3 CYS 13 1.393 0.440 0.715 91 H ASN 14 H ASN 14 3.906 1.798 -1.724 92 HA ASN 14 HA ASN 14 6.595 0.822 -1.493 93 HB2 ASN 14 HB2 ASN 14 6.809 1.416 -3.878 94 HB3 ASN 14 HB3 ASN 14 5.350 0.491 -3.565 95 HD21 ASN 14 HD21 ASN 14 6.596 3.690 -4.400 96 HD22 ASN 14 HD22 ASN 14 5.076 4.316 -4.943 97 H VAL 15 H VAL 15 5.109 3.975 -1.415 98 HA VAL 15 HA VAL 15 7.443 5.502 -1.875 99 HB VAL 15 HB VAL 15 4.913 6.225 -0.384 100 HG11 VAL 15 HG11 VAL 15 6.727 7.651 0.388 101 HG12 VAL 15 HG12 VAL 15 5.625 8.572 -0.637 102 HG13 VAL 15 HG13 VAL 15 7.171 8.019 -1.280 103 HG21 VAL 15 HG21 VAL 15 5.850 6.897 -3.176 104 HG22 VAL 15 HG22 VAL 15 4.372 7.494 -2.419 105 HG23 VAL 15 HG23 VAL 15 4.557 5.773 -2.756 106 H ASN 16 H ASN 16 6.023 4.055 1.003 107 HA ASN 16 HA ASN 16 7.881 5.308 2.814 108 HB2 ASN 16 HB2 ASN 16 5.650 4.436 3.558 109 HB3 ASN 16 HB3 ASN 16 6.230 2.792 3.247 110 HD21 ASN 16 HD21 ASN 16 6.489 5.582 5.342 111 HD22 ASN 16 HD22 ASN 16 7.336 4.762 6.606 112 H LYS 17 H LYS 17 7.466 1.817 2.367 113 HA LYS 17 HA LYS 17 9.721 1.228 0.913 114 HB2 LYS 17 HB2 LYS 17 10.311 1.605 3.770 115 HB3 LYS 17 HB3 LYS 17 10.850 0.056 3.113 116 HG2 LYS 17 HG2 LYS 17 12.167 1.192 1.424 117 HG3 LYS 17 HG3 LYS 17 11.554 2.762 1.962 118 HD2 LYS 17 HD2 LYS 17 12.537 2.202 4.253 119 HD3 LYS 17 HD3 LYS 17 13.344 0.839 3.448 120 HE2 LYS 17 HE2 LYS 17 14.520 2.325 1.973 121 HE3 LYS 17 HE3 LYS 17 13.621 3.716 2.578 122 HZ1 LYS 17 HZ1 LYS 17 14.643 3.380 4.743 123 HZ2 LYS 17 HZ2 LYS 17 15.821 3.602 3.550 124 HZ3 LYS 17 HZ3 LYS 17 15.510 2.055 4.152 125 H VAL 18 H VAL 18 7.939 -0.201 0.152 126 HA VAL 18 HA VAL 18 8.194 -2.757 1.514 127 HB VAL 18 HB VAL 18 5.986 -3.258 1.938 128 HG11 VAL 18 HG11 VAL 18 6.591 -1.440 3.441 129 HG12 VAL 18 HG12 VAL 18 4.863 -1.441 3.090 130 HG13 VAL 18 HG13 VAL 18 5.920 -0.265 2.309 131 HG21 VAL 18 HG21 VAL 18 4.044 -2.230 0.888 132 HG22 VAL 18 HG22 VAL 18 5.182 -2.873 -0.302 133 HG23 VAL 18 HG23 VAL 18 5.105 -1.133 -0.004 134 HA PRO 19 HA PRO 19 8.158 -4.172 -2.754 135 HB2 PRO 19 HB2 PRO 19 7.297 -6.754 -1.636 136 HB3 PRO 19 HB3 PRO 19 8.763 -6.365 -2.550 137 HG2 PRO 19 HG2 PRO 19 8.845 -6.931 0.078 138 HG3 PRO 19 HG3 PRO 19 9.946 -5.766 -0.679 139 HD2 PRO 19 HD2 PRO 19 7.499 -5.242 0.972 140 HD3 PRO 19 HD3 PRO 19 9.059 -4.386 0.933 141 H PHE 20 H PHE 20 6.538 -4.864 -4.319 142 HA PHE 20 HA PHE 20 3.999 -3.842 -3.831 143 HB2 PHE 20 HB2 PHE 20 4.966 -4.248 -6.106 144 HB3 PHE 20 HB3 PHE 20 4.612 -5.960 -5.898 145 HD1 PHE 20 HD1 PHE 20 3.177 -2.633 -6.378 146 HD2 PHE 20 HD2 PHE 20 2.343 -6.788 -5.984 147 HE1 PHE 20 HE1 PHE 20 0.887 -2.249 -7.196 148 HE2 PHE 20 HE2 PHE 20 0.058 -6.411 -6.808 149 HZ PHE 20 HZ PHE 20 -0.672 -4.139 -7.412 150 H ASP 21 H ASP 21 5.094 -7.209 -3.649 151 HA ASP 21 HA ASP 21 2.615 -8.407 -3.196 152 HB2 ASP 21 HB2 ASP 21 3.937 -10.217 -2.048 153 HB3 ASP 21 HB3 ASP 21 4.481 -9.817 -3.675 154 H GLN 22 H GLN 22 4.925 -7.062 -0.839 155 HA GLN 22 HA GLN 22 3.342 -7.600 1.428 156 HB2 GLN 22 HB2 GLN 22 5.706 -7.001 1.633 157 HB3 GLN 22 HB3 GLN 22 5.369 -5.394 1.001 158 HG2 GLN 22 HG2 GLN 22 3.888 -4.992 2.942 159 HG3 GLN 22 HG3 GLN 22 4.380 -6.560 3.592 160 HE21 GLN 22 HE21 GLN 22 7.122 -6.319 2.686 161 HE22 GLN 22 HE22 GLN 22 7.881 -5.161 3.725 162 H CYS 23 H CYS 23 3.437 -4.903 -0.838 163 HA CYS 23 HA CYS 23 1.728 -3.153 0.552 164 HB2 CYS 23 HB2 CYS 23 3.019 -2.514 -1.520 165 HB3 CYS 23 HB3 CYS 23 1.862 -3.456 -2.465 166 H TYR 24 H TYR 24 1.011 -5.747 -1.753 167 HA TYR 24 HA TYR 24 -1.791 -5.477 -1.612 168 HB2 TYR 24 HB2 TYR 24 -0.730 -6.800 -3.393 169 HB3 TYR 24 HB3 TYR 24 -0.143 -7.963 -2.191 170 HD1 TYR 24 HD1 TYR 24 -1.450 -9.798 -1.605 171 HD2 TYR 24 HD2 TYR 24 -3.281 -6.498 -3.560 172 HE1 TYR 24 HE1 TYR 24 -3.535 -11.077 -1.802 173 HE2 TYR 24 HE2 TYR 24 -5.371 -7.767 -3.762 174 HH TYR 24 HH TYR 24 -5.952 -10.636 -2.056 175 H GLN 25 H GLN 25 0.524 -7.165 0.432 176 HA GLN 25 HA GLN 25 -1.365 -8.806 1.777 177 HB2 GLN 25 HB2 GLN 25 1.337 -7.786 2.719 178 HB3 GLN 25 HB3 GLN 25 0.388 -8.979 3.585 179 HG2 GLN 25 HG2 GLN 25 0.592 -10.515 1.644 180 HG3 GLN 25 HG3 GLN 25 1.605 -9.327 0.831 181 HE21 GLN 25 HE21 GLN 25 2.864 -8.541 3.401 182 HE22 GLN 25 HE22 GLN 25 3.988 -9.810 3.750 183 H MET 26 H MET 26 -0.087 -5.585 2.394 184 HA MET 26 HA MET 26 -1.417 -5.392 4.942 185 HB2 MET 26 HB2 MET 26 0.757 -4.375 4.692 186 HB3 MET 26 HB3 MET 26 0.204 -3.441 3.315 187 HG2 MET 26 HG2 MET 26 -1.349 -2.221 4.825 188 HG3 MET 26 HG3 MET 26 -0.639 -3.091 6.186 189 HE1 MET 26 HE1 MET 26 0.038 -0.509 3.284 190 HE2 MET 26 HE2 MET 26 1.265 -1.737 2.976 191 HE3 MET 26 HE3 MET 26 1.742 -0.138 3.536 192 H CYS 27 H CYS 27 -1.854 -3.974 1.705 193 HA CYS 27 HA CYS 27 -3.975 -2.263 2.686 194 HB2 CYS 27 HB2 CYS 27 -3.001 -2.664 -0.162 195 HB3 CYS 27 HB3 CYS 27 -4.100 -1.392 0.404 196 H SER 28 H SER 28 -3.878 -5.451 1.396 197 HA SER 28 HA SER 28 -6.276 -5.419 -0.041 198 HB2 SER 28 HB2 SER 28 -6.312 -7.927 0.353 199 HB3 SER 28 HB3 SER 28 -4.880 -7.265 -0.447 200 HG SER 28 HG SER 28 -3.690 -7.706 1.260 201 HA PRO 29 HA PRO 29 -8.534 -6.924 4.072 202 HB2 PRO 29 HB2 PRO 29 -6.923 -5.272 5.957 203 HB3 PRO 29 HB3 PRO 29 -7.705 -6.845 6.221 204 HG2 PRO 29 HG2 PRO 29 -5.080 -6.739 5.888 205 HG3 PRO 29 HG3 PRO 29 -6.031 -8.016 5.086 206 HD2 PRO 29 HD2 PRO 29 -4.891 -5.485 3.918 207 HD3 PRO 29 HD3 PRO 29 -4.949 -7.127 3.226 208 H LEU 30 H LEU 30 -7.247 -3.837 3.237 209 HA LEU 30 HA LEU 30 -9.318 -2.290 4.523 210 HB2 LEU 30 HB2 LEU 30 -6.885 -1.565 3.972 211 HB3 LEU 30 HB3 LEU 30 -7.489 -1.329 2.323 212 HG LEU 30 HG LEU 30 -8.447 0.140 4.807 213 HD11 LEU 30 HD11 LEU 30 -7.393 2.086 3.674 214 HD12 LEU 30 HD12 LEU 30 -6.716 0.974 2.484 215 HD13 LEU 30 HD13 LEU 30 -6.240 0.848 4.178 216 HD21 LEU 30 HD21 LEU 30 -9.741 1.532 3.300 217 HD22 LEU 30 HD22 LEU 30 -10.234 -0.153 3.120 218 HD23 LEU 30 HD23 LEU 30 -9.192 0.595 1.910 219 H GLU 31 H GLU 31 -8.358 -2.872 1.156 220 HA GLU 31 HA GLU 31 -10.808 -1.754 0.152 221 HB2 GLU 31 HB2 GLU 31 -8.495 -1.712 -0.987 222 HB3 GLU 31 HB3 GLU 31 -8.838 -3.383 -1.450 223 HG2 GLU 31 HG2 GLU 31 -10.521 -0.984 -2.214 224 HG3 GLU 31 HG3 GLU 31 -9.329 -1.775 -3.252 225 H ARG 32 H ARG 32 -9.372 -5.015 -0.017 226 HA ARG 32 HA ARG 32 -12.055 -5.995 -0.741 227 HB2 ARG 32 HB2 ARG 32 -10.115 -6.234 -2.435 228 HB3 ARG 32 HB3 ARG 32 -9.455 -7.438 -1.318 229 HG2 ARG 32 HG2 ARG 32 -10.622 -8.804 -2.752 230 HG3 ARG 32 HG3 ARG 32 -11.853 -8.504 -1.526 231 HD2 ARG 32 HD2 ARG 32 -11.674 -7.520 -4.334 232 HD3 ARG 32 HD3 ARG 32 -13.060 -8.122 -3.433 233 HE ARG 32 HE ARG 32 -11.899 -5.431 -3.001 234 HH11 ARG 32 HH11 ARG 32 -14.663 -7.570 -3.324 235 HH12 ARG 32 HH12 ARG 32 -15.824 -6.302 -3.124 236 HH21 ARG 32 HH21 ARG 32 -13.428 -3.761 -2.755 237 HH22 ARG 32 HH22 ARG 32 -15.127 -4.137 -2.799 238 H SER 33 H SER 33 -12.713 -6.278 1.401 239 HA SER 33 HA SER 33 -11.348 -8.482 2.817 240 HB2 SER 33 HB2 SER 33 -11.438 -6.154 3.954 241 HB3 SER 33 HB3 SER 33 -13.162 -6.466 4.164 242 HG SER 33 HG SER 33 -10.995 -8.011 5.158 Start of MODEL 33 1 HA ALA 1 HA ALA 1 -16.279 2.582 1.481 2 HB1 ALA 1 HB1 ALA 1 -17.021 3.812 -0.495 3 HB2 ALA 1 HB2 ALA 1 -18.170 4.711 0.493 4 HB3 ALA 1 HB3 ALA 1 -18.362 2.971 0.279 5 H SER 2 H SER 2 -14.357 3.449 0.902 6 HA SER 2 HA SER 2 -13.836 6.283 1.015 7 HB2 SER 2 HB2 SER 2 -13.681 5.438 3.462 8 HB3 SER 2 HB3 SER 2 -12.236 4.574 2.940 9 HG SER 2 HG SER 2 -12.336 7.026 3.750 10 HA PRO 3 HA PRO 3 -11.480 3.466 -1.959 11 HB2 PRO 3 HB2 PRO 3 -11.950 5.839 -3.690 12 HB3 PRO 3 HB3 PRO 3 -12.102 4.109 -4.069 13 HG2 PRO 3 HG2 PRO 3 -14.268 5.611 -3.707 14 HG3 PRO 3 HG3 PRO 3 -14.196 3.944 -3.104 15 HD2 PRO 3 HD2 PRO 3 -13.941 6.514 -1.557 16 HD3 PRO 3 HD3 PRO 3 -14.724 4.973 -1.091 17 H GLN 4 H GLN 4 -11.116 6.798 -0.975 18 HA GLN 4 HA GLN 4 -8.580 7.210 -2.194 19 HB2 GLN 4 HB2 GLN 4 -9.988 8.671 0.029 20 HB3 GLN 4 HB3 GLN 4 -8.401 9.143 -0.566 21 HG2 GLN 4 HG2 GLN 4 -10.912 9.007 -2.234 22 HG3 GLN 4 HG3 GLN 4 -10.203 10.479 -1.576 23 HE21 GLN 4 HE21 GLN 4 -7.462 9.595 -2.077 24 HE22 GLN 4 HE22 GLN 4 -7.221 9.734 -3.786 25 H GLN 5 H GLN 5 -9.585 6.049 0.969 26 HA GLN 5 HA GLN 5 -7.022 6.132 2.142 27 HB2 GLN 5 HB2 GLN 5 -7.867 4.858 3.934 28 HB3 GLN 5 HB3 GLN 5 -9.230 5.813 3.375 29 HG2 GLN 5 HG2 GLN 5 -10.142 3.894 2.212 30 HG3 GLN 5 HG3 GLN 5 -8.731 2.934 2.646 31 HE21 GLN 5 HE21 GLN 5 -8.580 4.050 5.341 32 HE22 GLN 5 HE22 GLN 5 -9.869 3.319 6.233 33 H ALA 6 H ALA 6 -8.646 3.767 0.176 34 HA ALA 6 HA ALA 6 -6.699 1.712 0.451 35 HB1 ALA 6 HB1 ALA 6 -8.923 1.171 -0.343 36 HB2 ALA 6 HB2 ALA 6 -7.734 0.747 -1.577 37 HB3 ALA 6 HB3 ALA 6 -8.703 2.207 -1.753 38 H LYS 7 H LYS 7 -7.226 4.280 -1.923 39 HA LYS 7 HA LYS 7 -5.081 3.570 -3.618 40 HB2 LYS 7 HB2 LYS 7 -7.004 5.086 -4.217 41 HB3 LYS 7 HB3 LYS 7 -6.252 6.333 -3.234 42 HG2 LYS 7 HG2 LYS 7 -5.714 6.742 -5.520 43 HG3 LYS 7 HG3 LYS 7 -4.237 6.202 -4.682 44 HD2 LYS 7 HD2 LYS 7 -4.605 3.914 -5.558 45 HD3 LYS 7 HD3 LYS 7 -6.043 4.477 -6.417 46 HE2 LYS 7 HE2 LYS 7 -4.131 4.356 -7.940 47 HE3 LYS 7 HE3 LYS 7 -4.638 6.030 -7.715 48 HZ1 LYS 7 HZ1 LYS 7 -2.240 5.808 -7.626 49 HZ2 LYS 7 HZ2 LYS 7 -2.360 4.719 -6.340 50 HZ3 LYS 7 HZ3 LYS 7 -2.841 6.328 -6.133 51 H TYR 8 H TYR 8 -5.343 5.660 -0.806 52 HA TYR 8 HA TYR 8 -2.758 6.774 -0.853 53 HB2 TYR 8 HB2 TYR 8 -4.628 7.571 0.592 54 HB3 TYR 8 HB3 TYR 8 -4.467 6.103 1.553 55 HD1 TYR 8 HD1 TYR 8 -2.788 9.247 0.601 56 HD2 TYR 8 HD2 TYR 8 -2.812 5.916 3.247 57 HE1 TYR 8 HE1 TYR 8 -1.149 10.383 2.039 58 HE2 TYR 8 HE2 TYR 8 -1.171 7.039 4.690 59 HH TYR 8 HH TYR 8 -0.398 10.341 4.363 60 H CYS 9 H CYS 9 -4.029 3.780 0.514 61 HA CYS 9 HA CYS 9 -1.691 3.013 1.899 62 HB2 CYS 9 HB2 CYS 9 -3.963 2.038 2.290 63 HB3 CYS 9 HB3 CYS 9 -3.826 1.185 0.746 64 H TYR 10 H TYR 10 -2.900 2.099 -1.329 65 HA TYR 10 HA TYR 10 -0.664 0.465 -1.964 66 HB2 TYR 10 HB2 TYR 10 -2.786 1.774 -3.674 67 HB3 TYR 10 HB3 TYR 10 -1.476 0.817 -4.366 68 HD1 TYR 10 HD1 TYR 10 -1.290 -1.604 -3.771 69 HD2 TYR 10 HD2 TYR 10 -4.689 0.738 -2.729 70 HE1 TYR 10 HE1 TYR 10 -2.610 -3.659 -3.481 71 HE2 TYR 10 HE2 TYR 10 -6.010 -1.302 -2.433 72 HH TYR 10 HH TYR 10 -6.021 -3.611 -3.183 73 H GLU 11 H GLU 11 -1.268 3.896 -2.250 74 HA GLU 11 HA GLU 11 0.926 4.394 -4.010 75 HB2 GLU 11 HB2 GLU 11 -1.221 5.910 -2.951 76 HB3 GLU 11 HB3 GLU 11 0.273 6.688 -2.396 77 HG2 GLU 11 HG2 GLU 11 -0.469 6.084 -5.272 78 HG3 GLU 11 HG3 GLU 11 -0.491 7.673 -4.474 79 H GLN 12 H GLN 12 0.430 4.955 -0.523 80 HA GLN 12 HA GLN 12 3.077 5.918 -0.177 81 HB2 GLN 12 HB2 GLN 12 0.910 5.160 1.773 82 HB3 GLN 12 HB3 GLN 12 2.469 5.796 2.276 83 HG2 GLN 12 HG2 GLN 12 0.918 7.292 0.241 84 HG3 GLN 12 HG3 GLN 12 0.397 7.355 1.918 85 HE21 GLN 12 HE21 GLN 12 3.749 6.981 1.108 86 HE22 GLN 12 HE22 GLN 12 4.242 8.568 1.591 87 H CYS 13 H CYS 13 1.774 2.745 -0.221 88 HA CYS 13 HA CYS 13 3.375 1.501 1.712 89 HB2 CYS 13 HB2 CYS 13 2.840 -0.598 0.628 90 HB3 CYS 13 HB3 CYS 13 1.412 0.437 0.521 91 H ASN 14 H ASN 14 3.982 1.748 -1.812 92 HA ASN 14 HA ASN 14 6.683 0.828 -1.518 93 HB2 ASN 14 HB2 ASN 14 6.909 1.488 -3.925 94 HB3 ASN 14 HB3 ASN 14 5.571 0.397 -3.601 95 HD21 ASN 14 HD21 ASN 14 6.406 3.754 -4.386 96 HD22 ASN 14 HD22 ASN 14 4.826 4.175 -4.951 97 H VAL 15 H VAL 15 5.153 3.964 -1.527 98 HA VAL 15 HA VAL 15 7.445 5.526 -2.009 99 HB VAL 15 HB VAL 15 4.938 6.211 -0.466 100 HG11 VAL 15 HG11 VAL 15 6.777 7.647 0.261 101 HG12 VAL 15 HG12 VAL 15 5.613 8.560 -0.700 102 HG13 VAL 15 HG13 VAL 15 7.139 8.046 -1.417 103 HG21 VAL 15 HG21 VAL 15 4.359 7.484 -2.499 104 HG22 VAL 15 HG22 VAL 15 4.535 5.762 -2.827 105 HG23 VAL 15 HG23 VAL 15 5.820 6.880 -3.277 106 H ASN 16 H ASN 16 6.018 4.254 0.981 107 HA ASN 16 HA ASN 16 7.960 5.477 2.685 108 HB2 ASN 16 HB2 ASN 16 6.167 3.067 3.161 109 HB3 ASN 16 HB3 ASN 16 7.123 3.884 4.406 110 HD21 ASN 16 HD21 ASN 16 4.238 3.556 4.353 111 HD22 ASN 16 HD22 ASN 16 3.571 5.155 4.337 112 H LYS 17 H LYS 17 7.494 1.969 2.384 113 HA LYS 17 HA LYS 17 9.619 1.357 0.769 114 HB2 LYS 17 HB2 LYS 17 11.111 2.247 2.513 115 HB3 LYS 17 HB3 LYS 17 10.420 1.104 3.676 116 HG2 LYS 17 HG2 LYS 17 11.274 -0.771 2.385 117 HG3 LYS 17 HG3 LYS 17 11.911 0.333 1.163 118 HD2 LYS 17 HD2 LYS 17 13.491 1.261 2.682 119 HD3 LYS 17 HD3 LYS 17 12.753 0.440 4.075 120 HE2 LYS 17 HE2 LYS 17 14.809 -0.685 3.372 121 HE3 LYS 17 HE3 LYS 17 13.410 -1.728 3.119 122 HZ1 LYS 17 HZ1 LYS 17 14.768 -0.128 1.017 123 HZ2 LYS 17 HZ2 LYS 17 13.442 -1.147 0.779 124 HZ3 LYS 17 HZ3 LYS 17 14.930 -1.796 1.244 125 H VAL 18 H VAL 18 7.797 -0.117 0.195 126 HA VAL 18 HA VAL 18 8.220 -2.624 1.625 127 HB VAL 18 HB VAL 18 6.008 -3.186 2.081 128 HG11 VAL 18 HG11 VAL 18 4.959 -1.402 3.340 129 HG12 VAL 18 HG12 VAL 18 5.976 -0.205 2.536 130 HG13 VAL 18 HG13 VAL 18 6.705 -1.406 3.603 131 HG21 VAL 18 HG21 VAL 18 5.132 -2.703 -0.126 132 HG22 VAL 18 HG22 VAL 18 5.064 -0.984 0.261 133 HG23 VAL 18 HG23 VAL 18 4.039 -2.126 1.132 134 HA PRO 19 HA PRO 19 8.064 -4.261 -2.569 135 HB2 PRO 19 HB2 PRO 19 7.067 -6.728 -1.292 136 HB3 PRO 19 HB3 PRO 19 8.516 -6.487 -2.284 137 HG2 PRO 19 HG2 PRO 19 8.697 -6.903 0.358 138 HG3 PRO 19 HG3 PRO 19 9.801 -5.811 -0.500 139 HD2 PRO 19 HD2 PRO 19 7.434 -5.132 1.215 140 HD3 PRO 19 HD3 PRO 19 9.020 -4.333 1.087 141 H PHE 20 H PHE 20 6.419 -4.892 -4.103 142 HA PHE 20 HA PHE 20 3.884 -3.797 -3.628 143 HB2 PHE 20 HB2 PHE 20 4.863 -4.159 -5.899 144 HB3 PHE 20 HB3 PHE 20 4.546 -5.882 -5.723 145 HD1 PHE 20 HD1 PHE 20 2.299 -6.759 -5.846 146 HD2 PHE 20 HD2 PHE 20 3.047 -2.582 -6.198 147 HE1 PHE 20 HE1 PHE 20 0.018 -6.426 -6.703 148 HE2 PHE 20 HE2 PHE 20 0.763 -2.243 -7.053 149 HZ PHE 20 HZ PHE 20 -0.753 -4.166 -7.303 150 H ASP 21 H ASP 21 4.980 -7.160 -3.403 151 HA ASP 21 HA ASP 21 2.466 -8.323 -2.955 152 HB2 ASP 21 HB2 ASP 21 3.661 -10.195 -1.926 153 HB3 ASP 21 HB3 ASP 21 4.449 -9.690 -3.415 154 H GLN 22 H GLN 22 4.704 -6.701 -0.780 155 HA GLN 22 HA GLN 22 3.264 -7.239 1.599 156 HB2 GLN 22 HB2 GLN 22 5.618 -6.555 1.625 157 HB3 GLN 22 HB3 GLN 22 5.166 -4.972 0.996 158 HG2 GLN 22 HG2 GLN 22 5.517 -4.831 3.365 159 HG3 GLN 22 HG3 GLN 22 3.798 -4.598 3.007 160 HE21 GLN 22 HE21 GLN 22 3.128 -5.199 5.041 161 HE22 GLN 22 HE22 GLN 22 3.198 -6.833 5.601 162 H CYS 23 H CYS 23 3.210 -4.581 -0.771 163 HA CYS 23 HA CYS 23 1.282 -2.966 0.445 164 HB2 CYS 23 HB2 CYS 23 1.516 -3.558 -2.527 165 HB3 CYS 23 HB3 CYS 23 0.685 -2.187 -1.809 166 H TYR 24 H TYR 24 0.931 -5.808 -1.601 167 HA TYR 24 HA TYR 24 -1.881 -5.827 -1.730 168 HB2 TYR 24 HB2 TYR 24 -0.266 -7.095 -3.216 169 HB3 TYR 24 HB3 TYR 24 -0.055 -8.238 -1.881 170 HD1 TYR 24 HD1 TYR 24 -1.916 -9.689 -1.199 171 HD2 TYR 24 HD2 TYR 24 -2.230 -7.104 -4.555 172 HE1 TYR 24 HE1 TYR 24 -3.850 -10.968 -1.996 173 HE2 TYR 24 HE2 TYR 24 -4.166 -8.381 -5.365 174 HH TYR 24 HH TYR 24 -5.834 -10.602 -3.464 175 H GLN 25 H GLN 25 0.388 -7.067 0.652 176 HA GLN 25 HA GLN 25 -1.512 -8.797 1.922 177 HB2 GLN 25 HB2 GLN 25 1.212 -7.787 2.730 178 HB3 GLN 25 HB3 GLN 25 0.223 -8.732 3.833 179 HG2 GLN 25 HG2 GLN 25 1.114 -9.672 1.097 180 HG3 GLN 25 HG3 GLN 25 1.873 -10.114 2.625 181 HE21 GLN 25 HE21 GLN 25 0.590 -11.770 0.600 182 HE22 GLN 25 HE22 GLN 25 -0.656 -12.642 1.427 183 H MET 26 H MET 26 -0.470 -5.488 2.376 184 HA MET 26 HA MET 26 -2.029 -5.251 4.810 185 HB2 MET 26 HB2 MET 26 0.081 -4.160 4.894 186 HB3 MET 26 HB3 MET 26 -0.182 -3.394 3.337 187 HG2 MET 26 HG2 MET 26 -1.935 -1.989 4.319 188 HG3 MET 26 HG3 MET 26 -1.661 -2.752 5.886 189 HE1 MET 26 HE1 MET 26 1.287 -1.938 3.369 190 HE2 MET 26 HE2 MET 26 1.606 -0.251 3.768 191 HE3 MET 26 HE3 MET 26 0.085 -0.701 3.001 192 H CYS 27 H CYS 27 -2.031 -3.835 1.539 193 HA CYS 27 HA CYS 27 -4.247 -2.125 2.248 194 HB2 CYS 27 HB2 CYS 27 -2.967 -2.502 -0.474 195 HB3 CYS 27 HB3 CYS 27 -3.989 -1.154 0.060 196 H SER 28 H SER 28 -3.862 -5.100 0.368 197 HA SER 28 HA SER 28 -6.285 -4.875 -1.019 198 HB2 SER 28 HB2 SER 28 -4.744 -7.382 -0.354 199 HB3 SER 28 HB3 SER 28 -6.053 -7.262 -1.540 200 HG SER 28 HG SER 28 -4.571 -5.382 -2.305 201 HA PRO 29 HA PRO 29 -8.286 -7.568 2.633 202 HB2 PRO 29 HB2 PRO 29 -6.539 -6.335 4.724 203 HB3 PRO 29 HB3 PRO 29 -7.343 -7.918 4.723 204 HG2 PRO 29 HG2 PRO 29 -4.753 -7.799 4.215 205 HG3 PRO 29 HG3 PRO 29 -5.796 -8.850 3.224 206 HD2 PRO 29 HD2 PRO 29 -4.627 -6.160 2.556 207 HD3 PRO 29 HD3 PRO 29 -4.836 -7.592 1.520 208 H LEU 30 H LEU 30 -6.811 -4.413 3.246 209 HA LEU 30 HA LEU 30 -8.968 -3.126 4.501 210 HB2 LEU 30 HB2 LEU 30 -6.539 -2.330 4.223 211 HB3 LEU 30 HB3 LEU 30 -6.996 -1.847 2.583 212 HG LEU 30 HG LEU 30 -7.992 -0.670 5.200 213 HD11 LEU 30 HD11 LEU 30 -5.770 0.051 4.499 214 HD12 LEU 30 HD12 LEU 30 -6.934 1.364 4.324 215 HD13 LEU 30 HD13 LEU 30 -6.394 0.470 2.901 216 HD21 LEU 30 HD21 LEU 30 -9.844 -0.750 3.583 217 HD22 LEU 30 HD22 LEU 30 -8.831 0.061 2.387 218 HD23 LEU 30 HD23 LEU 30 -9.295 0.903 3.867 219 H GLU 31 H GLU 31 -7.916 -3.051 1.150 220 HA GLU 31 HA GLU 31 -9.946 -1.416 0.157 221 HB2 GLU 31 HB2 GLU 31 -7.815 -1.784 -0.996 222 HB3 GLU 31 HB3 GLU 31 -8.251 -3.471 -1.283 223 HG2 GLU 31 HG2 GLU 31 -10.093 -2.753 -2.720 224 HG3 GLU 31 HG3 GLU 31 -9.659 -1.061 -2.442 225 H ARG 32 H ARG 32 -9.644 -4.949 -0.210 226 HA ARG 32 HA ARG 32 -12.544 -5.191 -0.084 227 HB2 ARG 32 HB2 ARG 32 -10.918 -6.018 -2.504 228 HB3 ARG 32 HB3 ARG 32 -12.506 -6.703 -2.158 229 HG2 ARG 32 HG2 ARG 32 -11.999 -3.736 -2.540 230 HG3 ARG 32 HG3 ARG 32 -12.461 -4.815 -3.853 231 HD2 ARG 32 HD2 ARG 32 -14.394 -3.620 -3.030 232 HD3 ARG 32 HD3 ARG 32 -14.567 -5.330 -2.661 233 HE ARG 32 HE ARG 32 -13.481 -3.618 -0.561 234 HH11 ARG 32 HH11 ARG 32 -16.244 -5.311 -1.890 235 HH12 ARG 32 HH12 ARG 32 -17.144 -5.264 -0.407 236 HH21 ARG 32 HH21 ARG 32 -14.688 -3.523 1.386 237 HH22 ARG 32 HH22 ARG 32 -16.263 -4.252 1.452 238 H SER 33 H SER 33 -12.998 -6.847 1.196 239 HA SER 33 HA SER 33 -11.549 -9.335 1.036 240 HB2 SER 33 HB2 SER 33 -10.246 -7.703 2.626 241 HB3 SER 33 HB3 SER 33 -11.552 -8.047 3.759 242 HG SER 33 HG SER 33 -9.720 -9.871 2.590 Start of MODEL 34 1 HA ALA 1 HA ALA 1 -15.256 -0.199 -0.118 2 HB1 ALA 1 HB1 ALA 1 -16.064 1.440 -1.736 3 HB2 ALA 1 HB2 ALA 1 -17.397 1.854 -0.659 4 HB3 ALA 1 HB3 ALA 1 -17.306 0.242 -1.370 5 H SER 2 H SER 2 -13.753 1.508 -0.691 6 HA SER 2 HA SER 2 -13.572 3.971 0.691 7 HB2 SER 2 HB2 SER 2 -13.196 2.187 2.562 8 HB3 SER 2 HB3 SER 2 -11.640 1.913 1.780 9 HG SER 2 HG SER 2 -11.455 3.444 3.439 10 HA PRO 3 HA PRO 3 -10.877 2.631 -3.023 11 HB2 PRO 3 HB2 PRO 3 -11.596 4.816 -4.585 12 HB3 PRO 3 HB3 PRO 3 -12.293 3.187 -4.717 13 HG2 PRO 3 HG2 PRO 3 -13.346 5.618 -3.364 14 HG3 PRO 3 HG3 PRO 3 -14.222 4.326 -4.207 15 HD2 PRO 3 HD2 PRO 3 -14.135 4.531 -1.488 16 HD3 PRO 3 HD3 PRO 3 -14.230 2.945 -2.308 17 H GLN 4 H GLN 4 -11.431 5.899 -1.749 18 HA GLN 4 HA GLN 4 -8.994 6.978 -2.718 19 HB2 GLN 4 HB2 GLN 4 -10.754 7.889 -0.436 20 HB3 GLN 4 HB3 GLN 4 -9.377 8.795 -1.029 21 HG2 GLN 4 HG2 GLN 4 -10.474 9.026 -3.220 22 HG3 GLN 4 HG3 GLN 4 -11.865 8.129 -2.607 23 HE21 GLN 4 HE21 GLN 4 -13.273 9.879 -2.927 24 HE22 GLN 4 HE22 GLN 4 -13.231 11.288 -1.918 25 H GLN 5 H GLN 5 -9.932 5.580 0.383 26 HA GLN 5 HA GLN 5 -7.428 6.029 1.635 27 HB2 GLN 5 HB2 GLN 5 -9.655 4.104 2.277 28 HB3 GLN 5 HB3 GLN 5 -8.200 4.242 3.252 29 HG2 GLN 5 HG2 GLN 5 -10.125 6.500 2.703 30 HG3 GLN 5 HG3 GLN 5 -10.105 5.522 4.167 31 HE21 GLN 5 HE21 GLN 5 -7.172 5.377 4.222 32 HE22 GLN 5 HE22 GLN 5 -6.640 6.936 4.752 33 H ALA 6 H ALA 6 -8.784 3.363 -0.195 34 HA ALA 6 HA ALA 6 -6.694 1.521 0.188 35 HB1 ALA 6 HB1 ALA 6 -8.828 0.845 -0.777 36 HB2 ALA 6 HB2 ALA 6 -7.497 0.441 -1.863 37 HB3 ALA 6 HB3 ALA 6 -8.510 1.837 -2.199 38 H LYS 7 H LYS 7 -7.172 4.059 -2.248 39 HA LYS 7 HA LYS 7 -4.863 3.384 -3.742 40 HB2 LYS 7 HB2 LYS 7 -6.798 4.793 -4.559 41 HB3 LYS 7 HB3 LYS 7 -6.150 6.113 -3.598 42 HG2 LYS 7 HG2 LYS 7 -5.506 6.280 -5.956 43 HG3 LYS 7 HG3 LYS 7 -4.092 6.103 -4.881 44 HD2 LYS 7 HD2 LYS 7 -4.006 3.693 -5.409 45 HD3 LYS 7 HD3 LYS 7 -5.402 3.869 -6.476 46 HE2 LYS 7 HE2 LYS 7 -3.301 3.825 -7.751 47 HE3 LYS 7 HE3 LYS 7 -4.119 5.379 -7.909 48 HZ1 LYS 7 HZ1 LYS 7 -2.611 6.333 -6.325 49 HZ2 LYS 7 HZ2 LYS 7 -1.719 5.588 -7.551 50 HZ3 LYS 7 HZ3 LYS 7 -1.878 4.836 -6.046 51 H TYR 8 H TYR 8 -5.446 5.506 -1.012 52 HA TYR 8 HA TYR 8 -2.923 6.756 -0.929 53 HB2 TYR 8 HB2 TYR 8 -4.974 7.458 0.362 54 HB3 TYR 8 HB3 TYR 8 -4.682 6.089 1.436 55 HD1 TYR 8 HD1 TYR 8 -3.086 6.224 3.185 56 HD2 TYR 8 HD2 TYR 8 -3.291 9.290 0.243 57 HE1 TYR 8 HE1 TYR 8 -1.597 7.627 4.554 58 HE2 TYR 8 HE2 TYR 8 -1.805 10.702 1.599 59 HH TYR 8 HH TYR 8 0.031 9.558 4.124 60 H CYS 9 H CYS 9 -4.153 3.758 0.462 61 HA CYS 9 HA CYS 9 -1.899 3.089 2.002 62 HB2 CYS 9 HB2 CYS 9 -4.152 2.004 2.184 63 HB3 CYS 9 HB3 CYS 9 -3.829 1.155 0.667 64 H TYR 10 H TYR 10 -2.783 2.189 -1.317 65 HA TYR 10 HA TYR 10 -0.431 0.650 -1.786 66 HB2 TYR 10 HB2 TYR 10 -2.545 1.798 -3.621 67 HB3 TYR 10 HB3 TYR 10 -1.141 0.922 -4.239 68 HD1 TYR 10 HD1 TYR 10 -4.396 0.632 -2.659 69 HD2 TYR 10 HD2 TYR 10 -0.827 -1.456 -3.647 70 HE1 TYR 10 HE1 TYR 10 -5.563 -1.498 -2.348 71 HE2 TYR 10 HE2 TYR 10 -1.984 -3.588 -3.338 72 HH TYR 10 HH TYR 10 -5.388 -3.820 -3.054 73 H GLU 11 H GLU 11 -1.207 4.034 -2.162 74 HA GLU 11 HA GLU 11 0.995 4.686 -3.835 75 HB2 GLU 11 HB2 GLU 11 -1.206 6.056 -3.080 76 HB3 GLU 11 HB3 GLU 11 -0.045 6.701 -1.904 77 HG2 GLU 11 HG2 GLU 11 0.284 6.796 -4.915 78 HG3 GLU 11 HG3 GLU 11 -0.279 8.127 -3.884 79 H GLN 12 H GLN 12 0.446 5.039 -0.337 80 HA GLN 12 HA GLN 12 3.070 6.129 0.029 81 HB2 GLN 12 HB2 GLN 12 1.007 5.345 2.095 82 HB3 GLN 12 HB3 GLN 12 2.440 6.311 2.382 83 HG2 GLN 12 HG2 GLN 12 0.492 7.177 0.318 84 HG3 GLN 12 HG3 GLN 12 0.138 7.438 2.015 85 HE21 GLN 12 HE21 GLN 12 3.409 7.507 0.883 86 HE22 GLN 12 HE22 GLN 12 3.630 9.219 1.020 87 H CYS 13 H CYS 13 1.805 2.933 0.083 88 HA CYS 13 HA CYS 13 3.418 1.809 2.099 89 HB2 CYS 13 HB2 CYS 13 2.928 -0.365 1.042 90 HB3 CYS 13 HB3 CYS 13 1.468 0.628 1.139 91 H ASN 14 H ASN 14 3.938 1.703 -1.445 92 HA ASN 14 HA ASN 14 6.604 0.764 -1.133 93 HB2 ASN 14 HB2 ASN 14 6.839 1.268 -3.580 94 HB3 ASN 14 HB3 ASN 14 5.501 0.213 -3.169 95 HD21 ASN 14 HD21 ASN 14 5.638 3.777 -2.997 96 HD22 ASN 14 HD22 ASN 14 4.363 4.021 -4.143 97 H VAL 15 H VAL 15 5.212 3.934 -1.178 98 HA VAL 15 HA VAL 15 7.540 5.415 -1.760 99 HB VAL 15 HB VAL 15 5.094 6.164 -0.152 100 HG11 VAL 15 HG11 VAL 15 6.955 7.526 0.621 101 HG12 VAL 15 HG12 VAL 15 5.862 8.502 -0.360 102 HG13 VAL 15 HG13 VAL 15 7.382 7.926 -1.042 103 HG21 VAL 15 HG21 VAL 15 5.984 6.971 -2.922 104 HG22 VAL 15 HG22 VAL 15 4.488 7.450 -2.124 105 HG23 VAL 15 HG23 VAL 15 4.752 5.764 -2.564 106 H ASN 16 H ASN 16 6.196 4.176 1.283 107 HA ASN 16 HA ASN 16 8.276 5.259 2.911 108 HB2 ASN 16 HB2 ASN 16 6.503 2.840 3.419 109 HB3 ASN 16 HB3 ASN 16 7.513 3.649 4.622 110 HD21 ASN 16 HD21 ASN 16 6.860 6.304 3.499 111 HD22 ASN 16 HD22 ASN 16 5.253 6.639 4.048 112 H LYS 17 H LYS 17 7.677 1.793 2.426 113 HA LYS 17 HA LYS 17 9.788 1.225 0.748 114 HB2 LYS 17 HB2 LYS 17 11.198 1.954 2.697 115 HB3 LYS 17 HB3 LYS 17 10.526 0.597 3.612 116 HG2 LYS 17 HG2 LYS 17 11.470 -0.975 1.987 117 HG3 LYS 17 HG3 LYS 17 12.141 0.379 1.068 118 HD2 LYS 17 HD2 LYS 17 13.500 1.046 2.979 119 HD3 LYS 17 HD3 LYS 17 12.832 -0.281 3.953 120 HE2 LYS 17 HE2 LYS 17 14.463 -0.550 1.416 121 HE3 LYS 17 HE3 LYS 17 15.045 -0.839 3.053 122 HZ1 LYS 17 HZ1 LYS 17 13.427 -2.641 3.246 123 HZ2 LYS 17 HZ2 LYS 17 14.499 -2.905 1.969 124 HZ3 LYS 17 HZ3 LYS 17 12.925 -2.377 1.652 125 H VAL 18 H VAL 18 7.917 -0.117 0.035 126 HA VAL 18 HA VAL 18 8.167 -2.744 1.242 127 HB VAL 18 HB VAL 18 6.020 -3.167 1.887 128 HG11 VAL 18 HG11 VAL 18 4.990 -1.334 3.080 129 HG12 VAL 18 HG12 VAL 18 5.952 -0.167 2.173 130 HG13 VAL 18 HG13 VAL 18 6.742 -1.293 3.276 131 HG21 VAL 18 HG21 VAL 18 4.004 -2.177 0.957 132 HG22 VAL 18 HG22 VAL 18 5.057 -2.831 -0.303 133 HG23 VAL 18 HG23 VAL 18 4.985 -1.088 -0.029 134 HA PRO 19 HA PRO 19 7.798 -3.895 -3.096 135 HB2 PRO 19 HB2 PRO 19 7.196 -6.572 -2.026 136 HB3 PRO 19 HB3 PRO 19 8.529 -6.061 -3.076 137 HG2 PRO 19 HG2 PRO 19 8.955 -6.732 -0.513 138 HG3 PRO 19 HG3 PRO 19 9.872 -5.440 -1.313 139 HD2 PRO 19 HD2 PRO 19 7.558 -5.204 0.592 140 HD3 PRO 19 HD3 PRO 19 9.059 -4.252 0.492 141 H PHE 20 H PHE 20 6.077 -4.645 -4.526 142 HA PHE 20 HA PHE 20 3.578 -3.685 -3.808 143 HB2 PHE 20 HB2 PHE 20 4.348 -4.054 -6.159 144 HB3 PHE 20 HB3 PHE 20 4.050 -5.776 -5.942 145 HD1 PHE 20 HD1 PHE 20 1.804 -6.656 -5.890 146 HD2 PHE 20 HD2 PHE 20 2.507 -2.476 -6.244 147 HE1 PHE 20 HE1 PHE 20 -0.548 -6.317 -6.529 148 HE2 PHE 20 HE2 PHE 20 0.156 -2.129 -6.885 149 HZ PHE 20 HZ PHE 20 -1.375 -4.051 -7.027 150 H ASP 21 H ASP 21 4.708 -7.054 -3.759 151 HA ASP 21 HA ASP 21 2.232 -8.228 -3.152 152 HB2 ASP 21 HB2 ASP 21 3.603 -10.151 -2.293 153 HB3 ASP 21 HB3 ASP 21 3.987 -9.642 -3.936 154 H GLN 22 H GLN 22 4.724 -6.879 -1.022 155 HA GLN 22 HA GLN 22 3.394 -7.588 1.391 156 HB2 GLN 22 HB2 GLN 22 5.759 -6.983 1.424 157 HB3 GLN 22 HB3 GLN 22 5.379 -5.364 0.843 158 HG2 GLN 22 HG2 GLN 22 4.039 -5.008 2.906 159 HG3 GLN 22 HG3 GLN 22 4.621 -6.569 3.493 160 HE21 GLN 22 HE21 GLN 22 7.273 -6.222 2.332 161 HE22 GLN 22 HE22 GLN 22 8.083 -5.061 3.332 162 H CYS 23 H CYS 23 3.306 -4.779 -0.744 163 HA CYS 23 HA CYS 23 1.676 -3.130 0.860 164 HB2 CYS 23 HB2 CYS 23 2.872 -2.386 -1.255 165 HB3 CYS 23 HB3 CYS 23 1.612 -3.216 -2.171 166 H TYR 24 H TYR 24 0.845 -5.486 -1.650 167 HA TYR 24 HA TYR 24 -1.931 -5.296 -1.465 168 HB2 TYR 24 HB2 TYR 24 -0.661 -6.598 -3.215 169 HB3 TYR 24 HB3 TYR 24 -0.359 -7.839 -1.989 170 HD1 TYR 24 HD1 TYR 24 -2.853 -6.321 -4.178 171 HD2 TYR 24 HD2 TYR 24 -2.165 -9.253 -1.186 172 HE1 TYR 24 HE1 TYR 24 -4.999 -7.377 -4.724 173 HE2 TYR 24 HE2 TYR 24 -4.305 -10.319 -1.723 174 HH TYR 24 HH TYR 24 -6.081 -9.568 -4.515 175 H GLN 25 H GLN 25 0.394 -6.994 0.561 176 HA GLN 25 HA GLN 25 -1.450 -8.717 1.831 177 HB2 GLN 25 HB2 GLN 25 0.993 -9.088 1.850 178 HB3 GLN 25 HB3 GLN 25 1.200 -7.644 2.842 179 HG2 GLN 25 HG2 GLN 25 1.322 -9.617 4.228 180 HG3 GLN 25 HG3 GLN 25 -0.136 -8.707 4.626 181 HE21 GLN 25 HE21 GLN 25 -1.240 -10.437 5.455 182 HE22 GLN 25 HE22 GLN 25 -1.799 -11.757 4.488 183 H MET 26 H MET 26 -0.254 -5.485 2.607 184 HA MET 26 HA MET 26 -1.709 -5.405 5.095 185 HB2 MET 26 HB2 MET 26 0.377 -4.269 5.100 186 HB3 MET 26 HB3 MET 26 0.003 -3.434 3.602 187 HG2 MET 26 HG2 MET 26 -1.761 -2.162 4.802 188 HG3 MET 26 HG3 MET 26 -1.243 -2.936 6.301 189 HE1 MET 26 HE1 MET 26 1.348 -1.880 3.464 190 HE2 MET 26 HE2 MET 26 1.522 -0.167 3.835 191 HE3 MET 26 HE3 MET 26 -0.022 -0.790 3.256 192 H CYS 27 H CYS 27 -2.018 -3.931 1.876 193 HA CYS 27 HA CYS 27 -4.228 -2.292 2.738 194 HB2 CYS 27 HB2 CYS 27 -3.240 -2.757 -0.096 195 HB3 CYS 27 HB3 CYS 27 -4.275 -1.435 0.476 196 H SER 28 H SER 28 -3.982 -5.508 1.512 197 HA SER 28 HA SER 28 -6.326 -5.662 0.029 198 HB2 SER 28 HB2 SER 28 -6.311 -8.147 0.690 199 HB3 SER 28 HB3 SER 28 -4.931 -7.512 -0.216 200 HG SER 28 HG SER 28 -3.689 -7.653 1.529 201 HA PRO 29 HA PRO 29 -8.702 -6.957 4.177 202 HB2 PRO 29 HB2 PRO 29 -7.167 -5.078 5.920 203 HB3 PRO 29 HB3 PRO 29 -7.958 -6.608 6.342 204 HG2 PRO 29 HG2 PRO 29 -5.330 -6.550 6.074 205 HG3 PRO 29 HG3 PRO 29 -6.262 -7.905 5.381 206 HD2 PRO 29 HD2 PRO 29 -5.057 -5.524 3.993 207 HD3 PRO 29 HD3 PRO 29 -5.142 -7.222 3.461 208 H LEU 30 H LEU 30 -7.332 -3.847 3.425 209 HA LEU 30 HA LEU 30 -9.627 -2.309 4.249 210 HB2 LEU 30 HB2 LEU 30 -7.154 -1.570 4.208 211 HB3 LEU 30 HB3 LEU 30 -7.359 -1.418 2.455 212 HG LEU 30 HG LEU 30 -8.834 0.178 4.577 213 HD11 LEU 30 HD11 LEU 30 -7.522 2.058 3.652 214 HD12 LEU 30 HD12 LEU 30 -6.639 0.911 2.641 215 HD13 LEU 30 HD13 LEU 30 -6.512 0.820 4.399 216 HD21 LEU 30 HD21 LEU 30 -9.718 1.501 2.738 217 HD22 LEU 30 HD22 LEU 30 -10.215 -0.185 2.567 218 HD23 LEU 30 HD23 LEU 30 -8.912 0.460 1.567 219 H GLU 31 H GLU 31 -8.047 -3.046 1.175 220 HA GLU 31 HA GLU 31 -10.054 -1.776 -0.394 221 HB2 GLU 31 HB2 GLU 31 -7.684 -1.943 -1.096 222 HB3 GLU 31 HB3 GLU 31 -7.866 -3.694 -1.243 223 HG2 GLU 31 HG2 GLU 31 -9.513 -3.379 -3.020 224 HG3 GLU 31 HG3 GLU 31 -9.341 -1.626 -2.881 225 H ARG 32 H ARG 32 -9.646 -5.019 0.773 226 HA ARG 32 HA ARG 32 -12.118 -5.776 -0.595 227 HB2 ARG 32 HB2 ARG 32 -9.899 -6.569 -1.791 228 HB3 ARG 32 HB3 ARG 32 -9.824 -7.728 -0.458 229 HG2 ARG 32 HG2 ARG 32 -10.885 -8.959 -2.109 230 HG3 ARG 32 HG3 ARG 32 -12.251 -8.339 -1.183 231 HD2 ARG 32 HD2 ARG 32 -12.497 -8.186 -3.673 232 HD3 ARG 32 HD3 ARG 32 -12.704 -6.657 -2.828 233 HE ARG 32 HE ARG 32 -10.069 -7.300 -3.932 234 HH11 ARG 32 HH11 ARG 32 -13.019 -5.422 -4.133 235 HH12 ARG 32 HH12 ARG 32 -12.345 -4.249 -5.221 236 HH21 ARG 32 HH21 ARG 32 -9.186 -5.765 -5.372 237 HH22 ARG 32 HH22 ARG 32 -10.170 -4.449 -5.929 238 H SER 33 H SER 33 -13.489 -6.425 0.946 239 HA SER 33 HA SER 33 -12.361 -7.775 3.313 240 HB2 SER 33 HB2 SER 33 -14.710 -5.856 3.381 241 HB3 SER 33 HB3 SER 33 -13.867 -6.563 4.757 242 HG SER 33 HG SER 33 -11.945 -5.426 3.880 Start of MODEL 35 1 HA ALA 1 HA ALA 1 -16.983 3.677 0.027 2 HB1 ALA 1 HB1 ALA 1 -18.825 5.825 1.067 3 HB2 ALA 1 HB2 ALA 1 -19.333 4.339 0.267 4 HB3 ALA 1 HB3 ALA 1 -18.397 5.540 -0.620 5 H SER 2 H SER 2 -14.894 4.198 -0.050 6 HA SER 2 HA SER 2 -14.064 6.905 0.078 7 HB2 SER 2 HB2 SER 2 -14.218 6.277 2.576 8 HB3 SER 2 HB3 SER 2 -12.866 5.188 2.273 9 HG SER 2 HG SER 2 -12.883 7.995 1.827 10 HA PRO 3 HA PRO 3 -11.666 3.680 -2.463 11 HB2 PRO 3 HB2 PRO 3 -11.882 6.017 -4.316 12 HB3 PRO 3 HB3 PRO 3 -11.997 4.277 -4.673 13 HG2 PRO 3 HG2 PRO 3 -14.188 5.753 -4.606 14 HG3 PRO 3 HG3 PRO 3 -14.177 4.135 -3.872 15 HD2 PRO 3 HD2 PRO 3 -14.042 6.819 -2.503 16 HD3 PRO 3 HD3 PRO 3 -14.903 5.328 -2.012 17 H GLN 4 H GLN 4 -11.296 7.082 -1.751 18 HA GLN 4 HA GLN 4 -8.659 7.467 -2.573 19 HB2 GLN 4 HB2 GLN 4 -10.127 9.320 -2.009 20 HB3 GLN 4 HB3 GLN 4 -10.221 8.772 -0.342 21 HG2 GLN 4 HG2 GLN 4 -7.866 9.264 -0.019 22 HG3 GLN 4 HG3 GLN 4 -7.713 9.747 -1.706 23 HE21 GLN 4 HE21 GLN 4 -10.527 10.507 0.217 24 HE22 GLN 4 HE22 GLN 4 -10.233 12.211 0.320 25 H GLN 5 H GLN 5 -9.971 6.181 0.435 26 HA GLN 5 HA GLN 5 -7.550 6.282 1.890 27 HB2 GLN 5 HB2 GLN 5 -8.623 5.065 3.585 28 HB3 GLN 5 HB3 GLN 5 -9.925 5.958 2.817 29 HG2 GLN 5 HG2 GLN 5 -10.421 3.892 1.480 30 HG3 GLN 5 HG3 GLN 5 -9.260 3.043 2.493 31 HE21 GLN 5 HE21 GLN 5 -10.043 4.642 4.866 32 HE22 GLN 5 HE22 GLN 5 -11.569 3.997 5.369 33 H ALA 6 H ALA 6 -8.946 3.894 -0.235 34 HA ALA 6 HA ALA 6 -6.961 1.897 0.248 35 HB1 ALA 6 HB1 ALA 6 -9.119 1.240 -0.646 36 HB2 ALA 6 HB2 ALA 6 -7.841 0.816 -1.788 37 HB3 ALA 6 HB3 ALA 6 -8.850 2.232 -2.082 38 H LYS 7 H LYS 7 -7.402 4.446 -2.142 39 HA LYS 7 HA LYS 7 -5.194 3.803 -3.766 40 HB2 LYS 7 HB2 LYS 7 -7.006 5.349 -4.446 41 HB3 LYS 7 HB3 LYS 7 -6.452 6.512 -3.253 42 HG2 LYS 7 HG2 LYS 7 -5.708 7.163 -5.448 43 HG3 LYS 7 HG3 LYS 7 -4.306 6.706 -4.446 44 HD2 LYS 7 HD2 LYS 7 -4.225 4.518 -5.527 45 HD3 LYS 7 HD3 LYS 7 -5.669 4.899 -6.472 46 HE2 LYS 7 HE2 LYS 7 -3.572 5.175 -7.779 47 HE3 LYS 7 HE3 LYS 7 -4.484 6.676 -7.627 48 HZ1 LYS 7 HZ1 LYS 7 -2.991 7.381 -5.876 49 HZ2 LYS 7 HZ2 LYS 7 -2.109 7.003 -7.268 50 HZ3 LYS 7 HZ3 LYS 7 -2.139 5.921 -5.971 51 H TYR 8 H TYR 8 -5.516 5.749 -0.851 52 HA TYR 8 HA TYR 8 -2.896 6.797 -0.812 53 HB2 TYR 8 HB2 TYR 8 -4.847 7.608 0.567 54 HB3 TYR 8 HB3 TYR 8 -4.636 6.182 1.583 55 HD1 TYR 8 HD1 TYR 8 -2.902 6.077 3.222 56 HD2 TYR 8 HD2 TYR 8 -3.103 9.354 0.522 57 HE1 TYR 8 HE1 TYR 8 -1.265 7.296 4.591 58 HE2 TYR 8 HE2 TYR 8 -1.472 10.588 1.883 59 HH TYR 8 HH TYR 8 0.315 9.088 4.407 60 H CYS 9 H CYS 9 -4.308 3.846 0.506 61 HA CYS 9 HA CYS 9 -2.092 3.000 2.016 62 HB2 CYS 9 HB2 CYS 9 -4.449 2.065 2.131 63 HB3 CYS 9 HB3 CYS 9 -4.088 1.161 0.654 64 H TYR 10 H TYR 10 -3.031 2.336 -1.334 65 HA TYR 10 HA TYR 10 -0.777 0.618 -1.800 66 HB2 TYR 10 HB2 TYR 10 -2.911 1.776 -3.598 67 HB3 TYR 10 HB3 TYR 10 -1.552 0.851 -4.239 68 HD1 TYR 10 HD1 TYR 10 -4.796 0.678 -2.676 69 HD2 TYR 10 HD2 TYR 10 -1.235 -1.511 -3.467 70 HE1 TYR 10 HE1 TYR 10 -6.000 -1.420 -2.272 71 HE2 TYR 10 HE2 TYR 10 -2.428 -3.608 -3.066 72 HH TYR 10 HH TYR 10 -5.693 -3.912 -3.026 73 H GLU 11 H GLU 11 -1.375 4.038 -2.168 74 HA GLU 11 HA GLU 11 0.772 4.450 -3.999 75 HB2 GLU 11 HB2 GLU 11 -1.100 6.045 -3.875 76 HB3 GLU 11 HB3 GLU 11 -0.636 6.462 -2.210 77 HG2 GLU 11 HG2 GLU 11 1.528 7.289 -3.054 78 HG3 GLU 11 HG3 GLU 11 0.986 6.942 -4.711 79 H GLN 12 H GLN 12 0.426 4.911 -0.468 80 HA GLN 12 HA GLN 12 3.079 6.006 -0.315 81 HB2 GLN 12 HB2 GLN 12 1.051 5.364 1.831 82 HB3 GLN 12 HB3 GLN 12 2.580 6.178 2.119 83 HG2 GLN 12 HG2 GLN 12 0.708 7.267 0.082 84 HG3 GLN 12 HG3 GLN 12 0.389 7.536 1.789 85 HE21 GLN 12 HE21 GLN 12 3.647 7.273 0.640 86 HE22 GLN 12 HE22 GLN 12 4.052 8.946 0.801 87 H CYS 13 H CYS 13 1.733 2.861 -0.047 88 HA CYS 13 HA CYS 13 3.335 1.720 1.934 89 HB2 CYS 13 HB2 CYS 13 2.814 -0.448 0.861 90 HB3 CYS 13 HB3 CYS 13 1.376 0.575 0.966 91 H ASN 14 H ASN 14 3.903 1.598 -1.603 92 HA ASN 14 HA ASN 14 6.540 0.561 -1.292 93 HB2 ASN 14 HB2 ASN 14 6.797 1.111 -3.721 94 HB3 ASN 14 HB3 ASN 14 5.378 0.143 -3.357 95 HD21 ASN 14 HD21 ASN 14 6.478 3.385 -4.263 96 HD22 ASN 14 HD22 ASN 14 4.930 3.921 -4.834 97 H VAL 15 H VAL 15 5.231 3.780 -1.377 98 HA VAL 15 HA VAL 15 7.611 5.168 -1.963 99 HB VAL 15 HB VAL 15 5.163 6.068 -0.436 100 HG11 VAL 15 HG11 VAL 15 5.998 8.364 -0.777 101 HG12 VAL 15 HG12 VAL 15 7.501 7.708 -1.423 102 HG13 VAL 15 HG13 VAL 15 7.065 7.418 0.261 103 HG21 VAL 15 HG21 VAL 15 6.092 6.616 -3.259 104 HG22 VAL 15 HG22 VAL 15 4.648 7.289 -2.504 105 HG23 VAL 15 HG23 VAL 15 4.764 5.555 -2.794 106 H ASN 16 H ASN 16 6.181 4.043 1.078 107 HA ASN 16 HA ASN 16 8.170 5.244 2.740 108 HB2 ASN 16 HB2 ASN 16 6.458 2.797 3.311 109 HB3 ASN 16 HB3 ASN 16 7.345 3.755 4.501 110 HD21 ASN 16 HD21 ASN 16 6.609 6.272 3.126 111 HD22 ASN 16 HD22 ASN 16 4.959 6.548 3.569 112 H LYS 17 H LYS 17 7.653 1.741 2.468 113 HA LYS 17 HA LYS 17 9.824 1.113 0.915 114 HB2 LYS 17 HB2 LYS 17 11.492 0.223 2.462 115 HB3 LYS 17 HB3 LYS 17 11.261 1.955 2.717 116 HG2 LYS 17 HG2 LYS 17 9.946 -0.148 4.435 117 HG3 LYS 17 HG3 LYS 17 11.546 0.510 4.779 118 HD2 LYS 17 HD2 LYS 17 10.587 2.776 4.904 119 HD3 LYS 17 HD3 LYS 17 8.965 2.111 4.606 120 HE2 LYS 17 HE2 LYS 17 10.769 1.448 6.948 121 HE3 LYS 17 HE3 LYS 17 9.372 2.521 6.999 122 HZ1 LYS 17 HZ1 LYS 17 9.359 -0.398 6.459 123 HZ2 LYS 17 HZ2 LYS 17 8.000 0.593 6.327 124 HZ3 LYS 17 HZ3 LYS 17 8.747 0.386 7.826 125 H VAL 18 H VAL 18 8.037 -0.263 0.187 126 HA VAL 18 HA VAL 18 8.221 -2.846 1.509 127 HB VAL 18 HB VAL 18 5.993 -3.274 1.931 128 HG11 VAL 18 HG11 VAL 18 6.022 -0.288 2.351 129 HG12 VAL 18 HG12 VAL 18 6.700 -1.489 3.447 130 HG13 VAL 18 HG13 VAL 18 4.965 -1.456 3.145 131 HG21 VAL 18 HG21 VAL 18 4.089 -2.132 0.916 132 HG22 VAL 18 HG22 VAL 18 5.187 -2.813 -0.292 133 HG23 VAL 18 HG23 VAL 18 5.197 -1.077 0.033 134 HA PRO 19 HA PRO 19 8.117 -4.189 -2.795 135 HB2 PRO 19 HB2 PRO 19 7.282 -6.763 -1.620 136 HB3 PRO 19 HB3 PRO 19 8.687 -6.401 -2.638 137 HG2 PRO 19 HG2 PRO 19 8.966 -6.942 -0.025 138 HG3 PRO 19 HG3 PRO 19 9.995 -5.758 -0.855 139 HD2 PRO 19 HD2 PRO 19 7.647 -5.275 0.952 140 HD3 PRO 19 HD3 PRO 19 9.190 -4.397 0.823 141 H PHE 20 H PHE 20 6.425 -4.880 -4.309 142 HA PHE 20 HA PHE 20 3.935 -3.798 -3.684 143 HB2 PHE 20 HB2 PHE 20 4.784 -4.171 -6.013 144 HB3 PHE 20 HB3 PHE 20 4.376 -5.875 -5.830 145 HD1 PHE 20 HD1 PHE 20 3.036 -2.485 -6.134 146 HD2 PHE 20 HD2 PHE 20 2.083 -6.621 -5.820 147 HE1 PHE 20 HE1 PHE 20 0.716 -1.996 -6.788 148 HE2 PHE 20 HE2 PHE 20 -0.238 -6.138 -6.482 149 HZ PHE 20 HZ PHE 20 -0.924 -3.825 -6.964 150 H ASP 21 H ASP 21 4.929 -7.209 -3.641 151 HA ASP 21 HA ASP 21 2.400 -8.298 -3.095 152 HB2 ASP 21 HB2 ASP 21 3.596 -10.282 -2.276 153 HB3 ASP 21 HB3 ASP 21 4.273 -9.710 -3.797 154 H GLN 22 H GLN 22 4.850 -6.939 -0.975 155 HA GLN 22 HA GLN 22 3.541 -7.554 1.470 156 HB2 GLN 22 HB2 GLN 22 5.918 -6.958 1.369 157 HB3 GLN 22 HB3 GLN 22 5.493 -5.337 0.822 158 HG2 GLN 22 HG2 GLN 22 6.024 -5.313 3.169 159 HG3 GLN 22 HG3 GLN 22 4.307 -4.952 2.931 160 HE21 GLN 22 HE21 GLN 22 3.787 -5.567 5.024 161 HE22 GLN 22 HE22 GLN 22 3.751 -7.230 5.511 162 H CYS 23 H CYS 23 3.439 -4.817 -0.765 163 HA CYS 23 HA CYS 23 1.792 -3.123 0.775 164 HB2 CYS 23 HB2 CYS 23 2.960 -2.390 -1.330 165 HB3 CYS 23 HB3 CYS 23 1.795 -3.341 -2.255 166 H TYR 24 H TYR 24 0.987 -5.590 -1.636 167 HA TYR 24 HA TYR 24 -1.799 -5.390 -1.417 168 HB2 TYR 24 HB2 TYR 24 -0.557 -6.685 -3.192 169 HB3 TYR 24 HB3 TYR 24 -0.232 -7.929 -1.973 170 HD1 TYR 24 HD1 TYR 24 -2.029 -9.351 -1.143 171 HD2 TYR 24 HD2 TYR 24 -2.769 -6.403 -4.113 172 HE1 TYR 24 HE1 TYR 24 -4.183 -10.414 -1.651 173 HE2 TYR 24 HE2 TYR 24 -4.922 -7.457 -4.631 174 HH TYR 24 HH TYR 24 -6.320 -9.890 -2.643 175 H GLN 25 H GLN 25 0.589 -7.073 0.544 176 HA GLN 25 HA GLN 25 -1.205 -8.800 1.870 177 HB2 GLN 25 HB2 GLN 25 1.270 -9.090 1.785 178 HB3 GLN 25 HB3 GLN 25 1.436 -7.706 2.867 179 HG2 GLN 25 HG2 GLN 25 1.629 -9.843 4.058 180 HG3 GLN 25 HG3 GLN 25 0.248 -8.899 4.621 181 HE21 GLN 25 HE21 GLN 25 -1.829 -9.605 4.165 182 HE22 GLN 25 HE22 GLN 25 -2.160 -11.214 3.614 183 H MET 26 H MET 26 -0.149 -5.510 2.498 184 HA MET 26 HA MET 26 -1.483 -5.435 5.061 185 HB2 MET 26 HB2 MET 26 0.504 -4.182 5.020 186 HB3 MET 26 HB3 MET 26 0.129 -3.482 3.455 187 HG2 MET 26 HG2 MET 26 -1.675 -2.161 4.504 188 HG3 MET 26 HG3 MET 26 -1.215 -2.824 6.073 189 HE1 MET 26 HE1 MET 26 1.579 -1.996 3.378 190 HE2 MET 26 HE2 MET 26 1.698 -0.248 3.571 191 HE3 MET 26 HE3 MET 26 0.222 -0.964 2.926 192 H CYS 27 H CYS 27 -1.976 -4.012 1.833 193 HA CYS 27 HA CYS 27 -4.295 -2.555 2.779 194 HB2 CYS 27 HB2 CYS 27 -3.234 -2.778 -0.057 195 HB3 CYS 27 HB3 CYS 27 -4.401 -1.591 0.554 196 H SER 28 H SER 28 -3.849 -5.711 1.680 197 HA SER 28 HA SER 28 -6.097 -6.070 0.068 198 HB2 SER 28 HB2 SER 28 -5.962 -8.512 0.965 199 HB3 SER 28 HB3 SER 28 -4.660 -7.868 -0.041 200 HG SER 28 HG SER 28 -3.363 -7.765 1.668 201 HA PRO 29 HA PRO 29 -8.630 -7.178 4.180 202 HB2 PRO 29 HB2 PRO 29 -7.201 -5.129 5.827 203 HB3 PRO 29 HB3 PRO 29 -7.999 -6.628 6.344 204 HG2 PRO 29 HG2 PRO 29 -5.362 -6.563 6.191 205 HG3 PRO 29 HG3 PRO 29 -6.250 -7.981 5.569 206 HD2 PRO 29 HD2 PRO 29 -4.992 -5.714 4.048 207 HD3 PRO 29 HD3 PRO 29 -5.051 -7.449 3.651 208 H LEU 30 H LEU 30 -7.274 -4.133 3.190 209 HA LEU 30 HA LEU 30 -9.612 -2.588 3.862 210 HB2 LEU 30 HB2 LEU 30 -7.110 -1.834 3.807 211 HB3 LEU 30 HB3 LEU 30 -7.377 -1.677 2.062 212 HG LEU 30 HG LEU 30 -8.824 -0.148 4.251 213 HD11 LEU 30 HD11 LEU 30 -6.581 0.633 3.993 214 HD12 LEU 30 HD12 LEU 30 -7.653 1.785 3.193 215 HD13 LEU 30 HD13 LEU 30 -6.726 0.628 2.237 216 HD21 LEU 30 HD21 LEU 30 -10.253 -0.622 2.261 217 HD22 LEU 30 HD22 LEU 30 -9.059 0.201 1.258 218 HD23 LEU 30 HD23 LEU 30 -9.923 1.092 2.508 219 H GLU 31 H GLU 31 -7.882 -3.178 0.793 220 HA GLU 31 HA GLU 31 -10.233 -2.348 -0.673 221 HB2 GLU 31 HB2 GLU 31 -7.748 -1.886 -1.288 222 HB3 GLU 31 HB3 GLU 31 -7.768 -3.534 -1.930 223 HG2 GLU 31 HG2 GLU 31 -9.657 -1.345 -2.820 224 HG3 GLU 31 HG3 GLU 31 -8.144 -1.756 -3.637 225 H ARG 32 H ARG 32 -8.182 -5.238 -1.118 226 HA ARG 32 HA ARG 32 -10.449 -6.987 -0.903 227 HB2 ARG 32 HB2 ARG 32 -10.805 -6.172 -3.188 228 HB3 ARG 32 HB3 ARG 32 -9.127 -6.545 -3.599 229 HG2 ARG 32 HG2 ARG 32 -10.606 -8.242 -4.530 230 HG3 ARG 32 HG3 ARG 32 -9.577 -8.947 -3.282 231 HD2 ARG 32 HD2 ARG 32 -12.125 -9.509 -3.371 232 HD3 ARG 32 HD3 ARG 32 -11.331 -9.259 -1.821 233 HE ARG 32 HE ARG 32 -12.705 -7.012 -3.123 234 HH11 ARG 32 HH11 ARG 32 -12.567 -9.349 -0.523 235 HH12 ARG 32 HH12 ARG 32 -13.658 -8.471 0.496 236 HH21 ARG 32 HH21 ARG 32 -14.147 -5.855 -1.794 237 HH22 ARG 32 HH22 ARG 32 -14.564 -6.482 -0.229 238 H SER 33 H SER 33 -9.772 -8.853 -0.110 239 HA SER 33 HA SER 33 -6.920 -9.503 -0.295 240 HB2 SER 33 HB2 SER 33 -7.730 -11.177 1.606 241 HB3 SER 33 HB3 SER 33 -7.425 -9.479 1.982 242 HG SER 33 HG SER 33 -9.701 -10.851 2.218 Start of MODEL 36 1 HA ALA 1 HA ALA 1 -14.404 -1.218 0.004 2 HB1 ALA 1 HB1 ALA 1 -15.490 0.138 -1.700 3 HB2 ALA 1 HB2 ALA 1 -16.878 0.385 -0.641 4 HB3 ALA 1 HB3 ALA 1 -16.511 -1.229 -1.253 5 H SER 2 H SER 2 -13.152 0.639 -0.564 6 HA SER 2 HA SER 2 -13.524 3.165 0.741 7 HB2 SER 2 HB2 SER 2 -12.712 1.596 2.625 8 HB3 SER 2 HB3 SER 2 -11.179 1.524 1.752 9 HG SER 2 HG SER 2 -11.629 4.033 1.867 10 HA PRO 3 HA PRO 3 -11.015 2.456 -3.254 11 HB2 PRO 3 HB2 PRO 3 -12.518 4.972 -3.836 12 HB3 PRO 3 HB3 PRO 3 -12.139 3.607 -4.912 13 HG2 PRO 3 HG2 PRO 3 -14.568 3.848 -3.920 14 HG3 PRO 3 HG3 PRO 3 -13.780 2.256 -3.974 15 HD2 PRO 3 HD2 PRO 3 -14.191 4.069 -1.604 16 HD3 PRO 3 HD3 PRO 3 -14.269 2.284 -1.706 17 H GLN 4 H GLN 4 -11.628 5.630 -1.730 18 HA GLN 4 HA GLN 4 -9.273 6.799 -2.798 19 HB2 GLN 4 HB2 GLN 4 -11.068 7.672 -0.537 20 HB3 GLN 4 HB3 GLN 4 -9.696 8.617 -1.102 21 HG2 GLN 4 HG2 GLN 4 -12.075 7.823 -2.784 22 HG3 GLN 4 HG3 GLN 4 -11.821 9.408 -2.058 23 HE21 GLN 4 HE21 GLN 4 -8.956 9.407 -2.579 24 HE22 GLN 4 HE22 GLN 4 -8.774 9.664 -4.283 25 H GLN 5 H GLN 5 -10.051 5.510 0.402 26 HA GLN 5 HA GLN 5 -7.515 6.111 1.512 27 HB2 GLN 5 HB2 GLN 5 -9.655 4.175 2.371 28 HB3 GLN 5 HB3 GLN 5 -8.164 4.400 3.268 29 HG2 GLN 5 HG2 GLN 5 -8.708 6.761 3.605 30 HG3 GLN 5 HG3 GLN 5 -10.200 6.553 2.694 31 HE21 GLN 5 HE21 GLN 5 -8.987 4.104 4.855 32 HE22 GLN 5 HE22 GLN 5 -10.205 4.292 6.065 33 H ALA 6 H ALA 6 -8.797 3.333 -0.184 34 HA ALA 6 HA ALA 6 -6.592 1.612 0.202 35 HB1 ALA 6 HB1 ALA 6 -8.483 1.761 -2.148 36 HB2 ALA 6 HB2 ALA 6 -8.724 0.805 -0.686 37 HB3 ALA 6 HB3 ALA 6 -7.398 0.423 -1.786 38 H LYS 7 H LYS 7 -7.296 4.105 -2.185 39 HA LYS 7 HA LYS 7 -5.067 3.663 -3.851 40 HB2 LYS 7 HB2 LYS 7 -7.034 5.004 -4.519 41 HB3 LYS 7 HB3 LYS 7 -6.590 6.232 -3.345 42 HG2 LYS 7 HG2 LYS 7 -5.954 6.913 -5.572 43 HG3 LYS 7 HG3 LYS 7 -4.509 6.655 -4.562 44 HD2 LYS 7 HD2 LYS 7 -4.185 4.444 -5.585 45 HD3 LYS 7 HD3 LYS 7 -5.637 4.669 -6.567 46 HE2 LYS 7 HE2 LYS 7 -3.566 5.137 -7.841 47 HE3 LYS 7 HE3 LYS 7 -4.606 6.555 -7.704 48 HZ1 LYS 7 HZ1 LYS 7 -2.292 7.107 -7.313 49 HZ2 LYS 7 HZ2 LYS 7 -2.215 6.005 -6.035 50 HZ3 LYS 7 HZ3 LYS 7 -3.205 7.372 -5.915 51 H TYR 8 H TYR 8 -5.527 5.629 -0.961 52 HA TYR 8 HA TYR 8 -2.996 6.879 -0.961 53 HB2 TYR 8 HB2 TYR 8 -4.855 7.658 0.456 54 HB3 TYR 8 HB3 TYR 8 -4.775 6.159 1.383 55 HD1 TYR 8 HD1 TYR 8 -2.994 9.300 0.623 56 HD2 TYR 8 HD2 TYR 8 -3.177 5.860 3.118 57 HE1 TYR 8 HE1 TYR 8 -1.375 10.333 2.162 58 HE2 TYR 8 HE2 TYR 8 -1.558 6.874 4.657 59 HH TYR 8 HH TYR 8 -0.708 10.146 4.540 60 H CYS 9 H CYS 9 -4.151 3.833 0.405 61 HA CYS 9 HA CYS 9 -1.823 3.178 1.851 62 HB2 CYS 9 HB2 CYS 9 -4.053 2.068 2.135 63 HB3 CYS 9 HB3 CYS 9 -3.790 1.229 0.600 64 H TYR 10 H TYR 10 -2.870 2.183 -1.407 65 HA TYR 10 HA TYR 10 -0.529 0.686 -1.961 66 HB2 TYR 10 HB2 TYR 10 -2.686 1.853 -3.733 67 HB3 TYR 10 HB3 TYR 10 -1.298 0.984 -4.396 68 HD1 TYR 10 HD1 TYR 10 -0.942 -1.400 -3.761 69 HD2 TYR 10 HD2 TYR 10 -4.529 0.673 -2.794 70 HE1 TYR 10 HE1 TYR 10 -2.080 -3.538 -3.418 71 HE2 TYR 10 HE2 TYR 10 -5.675 -1.467 -2.447 72 HH TYR 10 HH TYR 10 -5.499 -3.771 -3.042 73 H GLU 11 H GLU 11 -1.256 4.080 -2.188 74 HA GLU 11 HA GLU 11 0.939 4.675 -3.914 75 HB2 GLU 11 HB2 GLU 11 -1.010 6.179 -3.778 76 HB3 GLU 11 HB3 GLU 11 -0.620 6.527 -2.080 77 HG2 GLU 11 HG2 GLU 11 1.536 7.483 -2.808 78 HG3 GLU 11 HG3 GLU 11 1.053 7.211 -4.499 79 H GLN 12 H GLN 12 0.433 4.936 -0.375 80 HA GLN 12 HA GLN 12 3.054 6.070 -0.042 81 HB2 GLN 12 HB2 GLN 12 0.987 5.220 1.986 82 HB3 GLN 12 HB3 GLN 12 2.470 6.074 2.366 83 HG2 GLN 12 HG2 GLN 12 0.384 7.123 0.493 84 HG3 GLN 12 HG3 GLN 12 0.428 7.483 2.212 85 HE21 GLN 12 HE21 GLN 12 1.915 7.998 -0.858 86 HE22 GLN 12 HE22 GLN 12 2.938 9.312 -0.377 87 H CYS 13 H CYS 13 1.728 2.880 0.036 88 HA CYS 13 HA CYS 13 3.306 1.669 1.986 89 HB2 CYS 13 HB2 CYS 13 2.807 -0.458 0.845 90 HB3 CYS 13 HB3 CYS 13 1.366 0.561 0.920 91 H ASN 14 H ASN 14 3.953 1.593 -1.545 92 HA ASN 14 HA ASN 14 6.603 0.641 -1.137 93 HB2 ASN 14 HB2 ASN 14 6.980 0.908 -3.495 94 HB3 ASN 14 HB3 ASN 14 5.362 0.269 -3.268 95 HD21 ASN 14 HD21 ASN 14 4.124 2.818 -2.609 96 HD22 ASN 14 HD22 ASN 14 4.109 3.748 -4.066 97 H VAL 15 H VAL 15 5.257 3.846 -1.278 98 HA VAL 15 HA VAL 15 7.599 5.306 -1.764 99 HB VAL 15 HB VAL 15 5.101 6.017 -0.229 100 HG11 VAL 15 HG11 VAL 15 7.409 7.849 -0.892 101 HG12 VAL 15 HG12 VAL 15 6.984 7.280 0.721 102 HG13 VAL 15 HG13 VAL 15 5.878 8.329 -0.164 103 HG21 VAL 15 HG21 VAL 15 4.652 7.445 -2.159 104 HG22 VAL 15 HG22 VAL 15 4.898 5.774 -2.670 105 HG23 VAL 15 HG23 VAL 15 6.183 6.962 -2.888 106 H ASN 16 H ASN 16 6.153 4.167 1.275 107 HA ASN 16 HA ASN 16 8.201 5.221 2.937 108 HB2 ASN 16 HB2 ASN 16 6.302 2.895 3.406 109 HB3 ASN 16 HB3 ASN 16 7.327 3.632 4.646 110 HD21 ASN 16 HD21 ASN 16 4.427 3.459 4.638 111 HD22 ASN 16 HD22 ASN 16 3.845 5.088 4.678 112 H LYS 17 H LYS 17 7.575 1.741 2.533 113 HA LYS 17 HA LYS 17 9.739 1.130 0.934 114 HB2 LYS 17 HB2 LYS 17 11.096 1.873 2.906 115 HB3 LYS 17 HB3 LYS 17 10.378 0.545 3.829 116 HG2 LYS 17 HG2 LYS 17 11.358 -1.084 2.312 117 HG3 LYS 17 HG3 LYS 17 12.021 0.215 1.314 118 HD2 LYS 17 HD2 LYS 17 13.402 0.984 3.163 119 HD3 LYS 17 HD3 LYS 17 12.732 -0.269 4.229 120 HE2 LYS 17 HE2 LYS 17 13.647 -1.990 2.702 121 HE3 LYS 17 HE3 LYS 17 14.347 -0.714 1.706 122 HZ1 LYS 17 HZ1 LYS 17 15.996 -1.607 3.186 123 HZ2 LYS 17 HZ2 LYS 17 15.022 -1.306 4.533 124 HZ3 LYS 17 HZ3 LYS 17 15.652 -0.015 3.642 125 H VAL 18 H VAL 18 7.883 -0.205 0.188 126 HA VAL 18 HA VAL 18 8.123 -2.830 1.418 127 HB VAL 18 HB VAL 18 5.899 -3.310 1.826 128 HG11 VAL 18 HG11 VAL 18 4.866 -1.557 3.138 129 HG12 VAL 18 HG12 VAL 18 5.924 -0.350 2.407 130 HG13 VAL 18 HG13 VAL 18 6.605 -1.611 3.436 131 HG21 VAL 18 HG21 VAL 18 5.070 -2.739 -0.359 132 HG22 VAL 18 HG22 VAL 18 5.070 -1.022 0.054 133 HG23 VAL 18 HG23 VAL 18 3.979 -2.131 0.889 134 HA PRO 19 HA PRO 19 7.979 -4.001 -2.932 135 HB2 PRO 19 HB2 PRO 19 7.261 -6.660 -1.880 136 HB3 PRO 19 HB3 PRO 19 8.652 -6.187 -2.873 137 HG2 PRO 19 HG2 PRO 19 8.941 -6.851 -0.285 138 HG3 PRO 19 HG3 PRO 19 9.934 -5.598 -1.055 139 HD2 PRO 19 HD2 PRO 19 7.566 -5.269 0.762 140 HD3 PRO 19 HD3 PRO 19 9.086 -4.346 0.687 141 H PHE 20 H PHE 20 6.311 -4.703 -4.443 142 HA PHE 20 HA PHE 20 3.791 -3.716 -3.878 143 HB2 PHE 20 HB2 PHE 20 4.664 -4.135 -6.177 144 HB3 PHE 20 HB3 PHE 20 4.377 -5.855 -5.938 145 HD1 PHE 20 HD1 PHE 20 2.163 -6.774 -6.014 146 HD2 PHE 20 HD2 PHE 20 2.793 -2.578 -6.352 147 HE1 PHE 20 HE1 PHE 20 -0.158 -6.489 -6.778 148 HE2 PHE 20 HE2 PHE 20 0.471 -2.286 -7.114 149 HZ PHE 20 HZ PHE 20 -1.008 -4.245 -7.326 150 H ASP 21 H ASP 21 4.881 -7.089 -3.694 151 HA ASP 21 HA ASP 21 2.376 -8.239 -3.158 152 HB2 ASP 21 HB2 ASP 21 3.682 -10.139 -2.212 153 HB3 ASP 21 HB3 ASP 21 4.222 -9.645 -3.812 154 H GLN 22 H GLN 22 4.836 -6.903 -0.973 155 HA GLN 22 HA GLN 22 3.456 -7.475 1.426 156 HB2 GLN 22 HB2 GLN 22 5.801 -6.868 1.469 157 HB3 GLN 22 HB3 GLN 22 5.435 -5.288 0.785 158 HG2 GLN 22 HG2 GLN 22 5.826 -5.048 3.128 159 HG3 GLN 22 HG3 GLN 22 4.114 -4.758 2.800 160 HE21 GLN 22 HE21 GLN 22 5.472 -5.519 5.274 161 HE22 GLN 22 HE22 GLN 22 4.714 -6.988 5.796 162 H CYS 23 H CYS 23 3.371 -4.768 -0.829 163 HA CYS 23 HA CYS 23 1.695 -3.071 0.670 164 HB2 CYS 23 HB2 CYS 23 2.920 -2.399 -1.448 165 HB3 CYS 23 HB3 CYS 23 1.700 -3.296 -2.355 166 H TYR 24 H TYR 24 0.939 -5.606 -1.687 167 HA TYR 24 HA TYR 24 -1.849 -5.360 -1.576 168 HB2 TYR 24 HB2 TYR 24 -0.609 -6.737 -3.267 169 HB3 TYR 24 HB3 TYR 24 -0.285 -7.929 -1.995 170 HD1 TYR 24 HD1 TYR 24 -2.886 -6.415 -4.105 171 HD2 TYR 24 HD2 TYR 24 -2.012 -9.405 -1.216 172 HE1 TYR 24 HE1 TYR 24 -5.049 -7.478 -4.566 173 HE2 TYR 24 HE2 TYR 24 -4.173 -10.478 -1.663 174 HH TYR 24 HH TYR 24 -6.377 -9.890 -2.557 175 H GLN 25 H GLN 25 0.416 -6.991 0.568 176 HA GLN 25 HA GLN 25 -1.587 -8.587 1.849 177 HB2 GLN 25 HB2 GLN 25 1.266 -7.925 2.577 178 HB3 GLN 25 HB3 GLN 25 0.236 -8.896 3.620 179 HG2 GLN 25 HG2 GLN 25 0.974 -9.588 0.765 180 HG3 GLN 25 HG3 GLN 25 1.678 -10.295 2.215 181 HE21 GLN 25 HE21 GLN 25 -0.886 -10.342 3.626 182 HE22 GLN 25 HE22 GLN 25 -1.793 -11.635 2.917 183 H MET 26 H MET 26 -0.292 -5.394 2.370 184 HA MET 26 HA MET 26 -1.611 -5.179 4.947 185 HB2 MET 26 HB2 MET 26 0.552 -4.136 4.778 186 HB3 MET 26 HB3 MET 26 0.067 -3.260 3.338 187 HG2 MET 26 HG2 MET 26 -1.570 -1.992 4.702 188 HG3 MET 26 HG3 MET 26 -0.960 -2.816 6.137 189 HE1 MET 26 HE1 MET 26 1.290 -1.626 3.084 190 HE2 MET 26 HE2 MET 26 1.635 0.031 3.575 191 HE3 MET 26 HE3 MET 26 -0.010 -0.437 3.148 192 H CYS 27 H CYS 27 -1.928 -3.817 1.681 193 HA CYS 27 HA CYS 27 -4.085 -2.095 2.525 194 HB2 CYS 27 HB2 CYS 27 -3.068 -2.614 -0.288 195 HB3 CYS 27 HB3 CYS 27 -4.110 -1.279 0.242 196 H SER 28 H SER 28 -3.885 -5.268 1.043 197 HA SER 28 HA SER 28 -6.391 -5.237 -0.212 198 HB2 SER 28 HB2 SER 28 -4.715 -6.999 -0.670 199 HB3 SER 28 HB3 SER 28 -5.058 -7.701 0.919 200 HG SER 28 HG SER 28 -7.034 -7.269 -1.070 201 HA PRO 29 HA PRO 29 -8.236 -7.117 3.979 202 HB2 PRO 29 HB2 PRO 29 -6.376 -5.606 5.762 203 HB3 PRO 29 HB3 PRO 29 -7.182 -7.165 6.037 204 HG2 PRO 29 HG2 PRO 29 -4.615 -7.136 5.400 205 HG3 PRO 29 HG3 PRO 29 -5.704 -8.327 4.641 206 HD2 PRO 29 HD2 PRO 29 -4.579 -5.782 3.498 207 HD3 PRO 29 HD3 PRO 29 -4.821 -7.364 2.719 208 H LEU 30 H LEU 30 -6.879 -3.960 3.436 209 HA LEU 30 HA LEU 30 -8.934 -2.503 4.830 210 HB2 LEU 30 HB2 LEU 30 -6.521 -1.732 4.311 211 HB3 LEU 30 HB3 LEU 30 -7.107 -1.444 2.664 212 HG LEU 30 HG LEU 30 -8.021 -0.026 5.194 213 HD11 LEU 30 HD11 LEU 30 -6.463 0.905 2.780 214 HD12 LEU 30 HD12 LEU 30 -5.827 0.663 4.409 215 HD13 LEU 30 HD13 LEU 30 -7.012 1.934 4.105 216 HD21 LEU 30 HD21 LEU 30 -8.921 0.415 2.337 217 HD22 LEU 30 HD22 LEU 30 -9.368 1.398 3.733 218 HD23 LEU 30 HD23 LEU 30 -9.898 -0.282 3.628 219 H GLU 31 H GLU 31 -8.039 -2.945 1.447 220 HA GLU 31 HA GLU 31 -10.278 -1.593 0.384 221 HB2 GLU 31 HB2 GLU 31 -8.166 -1.841 -0.844 222 HB3 GLU 31 HB3 GLU 31 -8.405 -3.589 -0.914 223 HG2 GLU 31 HG2 GLU 31 -10.421 -3.244 -2.274 224 HG3 GLU 31 HG3 GLU 31 -10.130 -1.501 -2.246 225 H ARG 32 H ARG 32 -9.514 -5.057 0.081 226 HA ARG 32 HA ARG 32 -10.864 -6.891 -0.287 227 HB2 ARG 32 HB2 ARG 32 -12.525 -5.412 1.773 228 HB3 ARG 32 HB3 ARG 32 -12.806 -7.087 1.295 229 HG2 ARG 32 HG2 ARG 32 -10.478 -7.615 2.126 230 HG3 ARG 32 HG3 ARG 32 -10.384 -5.961 2.733 231 HD2 ARG 32 HD2 ARG 32 -12.192 -8.191 3.638 232 HD3 ARG 32 HD3 ARG 32 -11.020 -7.269 4.573 233 HE ARG 32 HE ARG 32 -12.988 -5.517 3.587 234 HH11 ARG 32 HH11 ARG 32 -12.568 -8.059 5.951 235 HH12 ARG 32 HH12 ARG 32 -13.844 -7.487 6.978 236 HH21 ARG 32 HH21 ARG 32 -14.663 -4.756 4.939 237 HH22 ARG 32 HH22 ARG 32 -15.037 -5.614 6.403 238 H SER 33 H SER 33 -11.188 -5.164 -2.321 239 HA SER 33 HA SER 33 -14.105 -5.153 -2.772 240 HB2 SER 33 HB2 SER 33 -12.136 -3.128 -3.884 241 HB3 SER 33 HB3 SER 33 -13.886 -3.117 -4.095 242 HG SER 33 HG SER 33 -13.045 -3.222 -1.467 Start of MODEL 37 1 HA ALA 1 HA ALA 1 -14.707 -0.742 -1.580 2 HB1 ALA 1 HB1 ALA 1 -14.540 -0.139 -3.938 3 HB2 ALA 1 HB2 ALA 1 -16.207 0.438 -3.915 4 HB3 ALA 1 HB3 ALA 1 -15.862 -1.274 -3.666 5 H SER 2 H SER 2 -13.009 0.734 -1.809 6 HA SER 2 HA SER 2 -13.604 3.593 -1.794 7 HB2 SER 2 HB2 SER 2 -13.663 2.784 0.637 8 HB3 SER 2 HB3 SER 2 -11.952 2.396 0.455 9 HG SER 2 HG SER 2 -13.202 4.929 0.314 10 HA PRO 3 HA PRO 3 -9.918 1.966 -4.271 11 HB2 PRO 3 HB2 PRO 3 -10.997 4.178 -5.969 12 HB3 PRO 3 HB3 PRO 3 -10.337 2.598 -6.455 13 HG2 PRO 3 HG2 PRO 3 -12.940 2.961 -6.485 14 HG3 PRO 3 HG3 PRO 3 -12.271 1.462 -5.803 15 HD2 PRO 3 HD2 PRO 3 -13.341 3.875 -4.336 16 HD3 PRO 3 HD3 PRO 3 -13.558 2.132 -3.982 17 H GLN 4 H GLN 4 -10.928 5.230 -3.379 18 HA GLN 4 HA GLN 4 -8.430 6.435 -4.060 19 HB2 GLN 4 HB2 GLN 4 -10.674 7.452 -2.314 20 HB3 GLN 4 HB3 GLN 4 -9.269 8.400 -2.782 21 HG2 GLN 4 HG2 GLN 4 -11.365 7.275 -4.644 22 HG3 GLN 4 HG3 GLN 4 -11.163 8.965 -4.191 23 HE21 GLN 4 HE21 GLN 4 -8.227 8.782 -4.322 24 HE22 GLN 4 HE22 GLN 4 -7.838 8.756 -6.010 25 H GLN 5 H GLN 5 -9.902 5.395 -1.019 26 HA GLN 5 HA GLN 5 -7.706 6.237 0.581 27 HB2 GLN 5 HB2 GLN 5 -9.954 4.311 1.159 28 HB3 GLN 5 HB3 GLN 5 -8.735 4.754 2.341 29 HG2 GLN 5 HG2 GLN 5 -9.438 7.104 2.183 30 HG3 GLN 5 HG3 GLN 5 -10.677 6.649 1.016 31 HE21 GLN 5 HE21 GLN 5 -9.832 4.650 3.752 32 HE22 GLN 5 HE22 GLN 5 -11.309 4.887 4.623 33 H ALA 6 H ALA 6 -8.640 3.174 -0.881 34 HA ALA 6 HA ALA 6 -6.536 1.637 0.203 35 HB1 ALA 6 HB1 ALA 6 -8.497 0.624 -0.880 36 HB2 ALA 6 HB2 ALA 6 -6.983 0.044 -1.577 37 HB3 ALA 6 HB3 ALA 6 -7.943 1.244 -2.436 38 H LYS 7 H LYS 7 -6.773 3.673 -2.673 39 HA LYS 7 HA LYS 7 -4.255 2.972 -3.754 40 HB2 LYS 7 HB2 LYS 7 -6.073 4.156 -5.009 41 HB3 LYS 7 HB3 LYS 7 -5.717 5.600 -4.076 42 HG2 LYS 7 HG2 LYS 7 -4.712 5.645 -6.315 43 HG3 LYS 7 HG3 LYS 7 -3.497 5.732 -5.013 44 HD2 LYS 7 HD2 LYS 7 -2.724 4.203 -6.753 45 HD3 LYS 7 HD3 LYS 7 -3.092 3.292 -5.284 46 HE2 LYS 7 HE2 LYS 7 -3.963 2.073 -7.177 47 HE3 LYS 7 HE3 LYS 7 -5.315 2.737 -6.263 48 HZ1 LYS 7 HZ1 LYS 7 -4.179 3.846 -8.769 49 HZ2 LYS 7 HZ2 LYS 7 -5.426 4.560 -7.878 50 HZ3 LYS 7 HZ3 LYS 7 -5.664 3.054 -8.605 51 H TYR 8 H TYR 8 -5.261 5.249 -1.293 52 HA TYR 8 HA TYR 8 -2.809 6.637 -1.066 53 HB2 TYR 8 HB2 TYR 8 -4.921 7.477 -0.084 54 HB3 TYR 8 HB3 TYR 8 -4.886 6.148 1.080 55 HD1 TYR 8 HD1 TYR 8 -3.079 9.184 -0.017 56 HD2 TYR 8 HD2 TYR 8 -3.613 6.301 3.062 57 HE1 TYR 8 HE1 TYR 8 -1.711 10.554 1.495 58 HE2 TYR 8 HE2 TYR 8 -2.249 7.663 4.582 59 HH TYR 8 HH TYR 8 -0.446 9.398 4.384 60 H CYS 9 H CYS 9 -4.113 3.766 0.526 61 HA CYS 9 HA CYS 9 -2.002 3.289 2.314 62 HB2 CYS 9 HB2 CYS 9 -4.254 2.144 2.305 63 HB3 CYS 9 HB3 CYS 9 -3.694 1.172 0.938 64 H TYR 10 H TYR 10 -2.534 2.161 -1.000 65 HA TYR 10 HA TYR 10 -0.120 0.684 -1.176 66 HB2 TYR 10 HB2 TYR 10 -2.091 1.688 -3.226 67 HB3 TYR 10 HB3 TYR 10 -0.587 0.893 -3.709 68 HD1 TYR 10 HD1 TYR 10 -0.150 -1.428 -2.992 69 HD2 TYR 10 HD2 TYR 10 -3.939 0.404 -2.397 70 HE1 TYR 10 HE1 TYR 10 -1.158 -3.628 -2.665 71 HE2 TYR 10 HE2 TYR 10 -4.959 -1.799 -2.071 72 HH TYR 10 HH TYR 10 -4.508 -4.152 -2.660 73 H GLU 11 H GLU 11 -0.967 4.020 -1.911 74 HA GLU 11 HA GLU 11 1.342 4.781 -3.301 75 HB2 GLU 11 HB2 GLU 11 -0.760 6.157 -3.024 76 HB3 GLU 11 HB3 GLU 11 -0.216 6.503 -1.369 77 HG2 GLU 11 HG2 GLU 11 0.343 8.357 -2.762 78 HG3 GLU 11 HG3 GLU 11 1.838 7.511 -2.300 79 H GLN 12 H GLN 12 0.587 5.004 0.175 80 HA GLN 12 HA GLN 12 3.057 6.087 0.936 81 HB2 GLN 12 HB2 GLN 12 1.019 4.498 2.494 82 HB3 GLN 12 HB3 GLN 12 2.441 5.209 3.234 83 HG2 GLN 12 HG2 GLN 12 0.624 6.917 1.620 84 HG3 GLN 12 HG3 GLN 12 0.163 6.452 3.250 85 HE21 GLN 12 HE21 GLN 12 3.494 6.917 2.352 86 HE22 GLN 12 HE22 GLN 12 3.733 8.375 3.252 87 H CYS 13 H CYS 13 2.113 2.833 0.202 88 HA CYS 13 HA CYS 13 4.196 1.484 1.497 89 HB2 CYS 13 HB2 CYS 13 2.559 0.802 -0.942 90 HB3 CYS 13 HB3 CYS 13 3.867 -0.245 -0.387 91 H ASN 14 H ASN 14 4.059 2.733 -1.866 92 HA ASN 14 HA ASN 14 6.797 1.998 -2.307 93 HB2 ASN 14 HB2 ASN 14 6.535 3.311 -4.449 94 HB3 ASN 14 HB3 ASN 14 5.391 1.996 -4.231 95 HD21 ASN 14 HD21 ASN 14 5.741 5.522 -4.181 96 HD22 ASN 14 HD22 ASN 14 4.042 5.848 -4.349 97 H VAL 15 H VAL 15 5.139 4.812 -1.152 98 HA VAL 15 HA VAL 15 7.243 6.663 -1.430 99 HB VAL 15 HB VAL 15 5.013 6.561 0.607 100 HG11 VAL 15 HG11 VAL 15 5.524 8.920 1.062 101 HG12 VAL 15 HG12 VAL 15 6.923 8.821 -0.005 102 HG13 VAL 15 HG13 VAL 15 6.882 7.874 1.482 103 HG21 VAL 15 HG21 VAL 15 5.356 8.192 -1.911 104 HG22 VAL 15 HG22 VAL 15 4.014 8.325 -0.779 105 HG23 VAL 15 HG23 VAL 15 4.246 6.840 -1.697 106 H ASN 16 H ASN 16 6.402 4.398 1.197 107 HA ASN 16 HA ASN 16 8.625 5.412 2.774 108 HB2 ASN 16 HB2 ASN 16 6.706 3.140 3.373 109 HB3 ASN 16 HB3 ASN 16 7.867 3.844 4.503 110 HD21 ASN 16 HD21 ASN 16 7.370 6.563 3.512 111 HD22 ASN 16 HD22 ASN 16 5.835 7.018 4.178 112 H LYS 17 H LYS 17 7.729 2.000 2.294 113 HA LYS 17 HA LYS 17 9.803 1.224 0.650 114 HB2 LYS 17 HB2 LYS 17 11.124 -0.055 2.570 115 HB3 LYS 17 HB3 LYS 17 11.578 1.575 2.059 116 HG2 LYS 17 HG2 LYS 17 11.637 1.523 4.438 117 HG3 LYS 17 HG3 LYS 17 10.226 2.470 3.969 118 HD2 LYS 17 HD2 LYS 17 8.807 0.428 4.349 119 HD3 LYS 17 HD3 LYS 17 10.265 -0.401 4.932 120 HE2 LYS 17 HE2 LYS 17 9.138 2.130 6.137 121 HE3 LYS 17 HE3 LYS 17 8.844 0.506 6.758 122 HZ1 LYS 17 HZ1 LYS 17 10.620 1.604 7.958 123 HZ2 LYS 17 HZ2 LYS 17 11.501 1.815 6.532 124 HZ3 LYS 17 HZ3 LYS 17 11.217 0.259 7.127 125 H VAL 18 H VAL 18 7.820 0.042 0.009 126 HA VAL 18 HA VAL 18 8.033 -2.641 0.965 127 HB VAL 18 HB VAL 18 6.572 -2.374 2.692 128 HG11 VAL 18 HG11 VAL 18 4.738 -0.744 2.768 129 HG12 VAL 18 HG12 VAL 18 5.155 -0.226 1.136 130 HG13 VAL 18 HG13 VAL 18 6.300 0.016 2.455 131 HG21 VAL 18 HG21 VAL 18 4.669 -2.648 0.366 132 HG22 VAL 18 HG22 VAL 18 4.272 -3.000 2.049 133 HG23 VAL 18 HG23 VAL 18 5.494 -3.954 1.210 134 HA PRO 19 HA PRO 19 7.082 -3.161 -3.359 135 HB2 PRO 19 HB2 PRO 19 6.727 -5.977 -2.497 136 HB3 PRO 19 HB3 PRO 19 7.785 -5.310 -3.754 137 HG2 PRO 19 HG2 PRO 19 8.795 -6.175 -1.442 138 HG3 PRO 19 HG3 PRO 19 9.443 -4.738 -2.256 139 HD2 PRO 19 HD2 PRO 19 7.629 -4.900 0.128 140 HD3 PRO 19 HD3 PRO 19 8.976 -3.786 -0.213 141 H PHE 20 H PHE 20 5.259 -3.718 -4.658 142 HA PHE 20 HA PHE 20 2.785 -3.114 -3.562 143 HB2 PHE 20 HB2 PHE 20 3.378 -2.970 -5.994 144 HB3 PHE 20 HB3 PHE 20 3.198 -4.717 -6.091 145 HD1 PHE 20 HD1 PHE 20 1.011 -5.754 -5.958 146 HD2 PHE 20 HD2 PHE 20 1.466 -1.532 -5.732 147 HE1 PHE 20 HE1 PHE 20 -1.399 -5.478 -6.368 148 HE2 PHE 20 HE2 PHE 20 -0.944 -1.246 -6.141 149 HZ PHE 20 HZ PHE 20 -2.379 -3.223 -6.458 150 H ASP 21 H ASP 21 4.152 -6.315 -4.267 151 HA ASP 21 HA ASP 21 1.830 -7.808 -3.747 152 HB2 ASP 21 HB2 ASP 21 3.393 -9.731 -3.413 153 HB3 ASP 21 HB3 ASP 21 3.666 -8.841 -4.909 154 H GLN 22 H GLN 22 4.493 -6.898 -1.579 155 HA GLN 22 HA GLN 22 3.325 -8.165 0.702 156 HB2 GLN 22 HB2 GLN 22 5.756 -7.719 0.435 157 HB3 GLN 22 HB3 GLN 22 5.434 -6.000 0.595 158 HG2 GLN 22 HG2 GLN 22 6.205 -6.815 2.689 159 HG3 GLN 22 HG3 GLN 22 4.478 -6.456 2.845 160 HE21 GLN 22 HE21 GLN 22 4.332 -7.838 4.632 161 HE22 GLN 22 HE22 GLN 22 4.316 -9.561 4.445 162 H CYS 23 H CYS 23 3.090 -5.002 -0.781 163 HA CYS 23 HA CYS 23 1.748 -3.711 1.371 164 HB2 CYS 23 HB2 CYS 23 2.745 -2.531 -0.644 165 HB3 CYS 23 HB3 CYS 23 1.363 -3.111 -1.572 166 H TYR 24 H TYR 24 0.656 -5.606 -1.392 167 HA TYR 24 HA TYR 24 -2.095 -5.413 -1.088 168 HB2 TYR 24 HB2 TYR 24 -0.878 -6.622 -2.952 169 HB3 TYR 24 HB3 TYR 24 -0.590 -7.949 -1.820 170 HD1 TYR 24 HD1 TYR 24 -3.066 -6.218 -3.866 171 HD2 TYR 24 HD2 TYR 24 -2.426 -9.384 -1.106 172 HE1 TYR 24 HE1 TYR 24 -5.232 -7.193 -4.491 173 HE2 TYR 24 HE2 TYR 24 -4.588 -10.366 -1.717 174 HH TYR 24 HH TYR 24 -6.703 -9.712 -2.702 175 H GLN 25 H GLN 25 0.258 -7.250 0.744 176 HA GLN 25 HA GLN 25 -1.568 -8.971 2.031 177 HB2 GLN 25 HB2 GLN 25 0.809 -9.497 1.971 178 HB3 GLN 25 HB3 GLN 25 1.200 -8.009 2.823 179 HG2 GLN 25 HG2 GLN 25 0.197 -8.821 4.844 180 HG3 GLN 25 HG3 GLN 25 -0.433 -10.241 4.014 181 HE21 GLN 25 HE21 GLN 25 1.933 -10.735 2.467 182 HE22 GLN 25 HE22 GLN 25 3.129 -11.346 3.561 183 H MET 26 H MET 26 -0.447 -5.717 2.711 184 HA MET 26 HA MET 26 -1.728 -5.706 5.315 185 HB2 MET 26 HB2 MET 26 0.396 -4.633 5.273 186 HB3 MET 26 HB3 MET 26 -0.023 -3.719 3.834 187 HG2 MET 26 HG2 MET 26 -1.708 -2.472 5.162 188 HG3 MET 26 HG3 MET 26 -1.156 -3.333 6.597 189 HE1 MET 26 HE1 MET 26 1.317 -2.152 3.716 190 HE2 MET 26 HE2 MET 26 1.585 -0.481 4.200 191 HE3 MET 26 HE3 MET 26 -0.010 -0.992 3.652 192 H CYS 27 H CYS 27 -2.085 -4.011 2.193 193 HA CYS 27 HA CYS 27 -4.204 -2.369 3.283 194 HB2 CYS 27 HB2 CYS 27 -3.185 -2.519 0.428 195 HB3 CYS 27 HB3 CYS 27 -4.234 -1.263 1.113 196 H SER 28 H SER 28 -4.142 -5.430 1.738 197 HA SER 28 HA SER 28 -6.439 -5.277 0.178 198 HB2 SER 28 HB2 SER 28 -6.601 -7.780 0.494 199 HB3 SER 28 HB3 SER 28 -5.061 -7.176 -0.131 200 HG SER 28 HG SER 28 -4.094 -7.831 1.615 201 HA PRO 29 HA PRO 29 -8.927 -6.883 4.210 202 HB2 PRO 29 HB2 PRO 29 -7.554 -4.882 5.955 203 HB3 PRO 29 HB3 PRO 29 -8.322 -6.421 6.400 204 HG2 PRO 29 HG2 PRO 29 -5.688 -6.302 6.209 205 HG3 PRO 29 HG3 PRO 29 -6.563 -7.700 5.530 206 HD2 PRO 29 HD2 PRO 29 -5.330 -5.359 4.112 207 HD3 PRO 29 HD3 PRO 29 -5.435 -7.062 3.609 208 H LEU 30 H LEU 30 -7.800 -3.501 4.064 209 HA LEU 30 HA LEU 30 -10.381 -2.434 4.647 210 HB2 LEU 30 HB2 LEU 30 -9.431 -0.305 4.476 211 HB3 LEU 30 HB3 LEU 30 -8.087 -1.312 5.029 212 HG LEU 30 HG LEU 30 -7.667 -1.461 2.376 213 HD11 LEU 30 HD11 LEU 30 -8.097 0.652 1.289 214 HD12 LEU 30 HD12 LEU 30 -8.842 1.295 2.750 215 HD13 LEU 30 HD13 LEU 30 -9.619 -0.027 1.874 216 HD21 LEU 30 HD21 LEU 30 -6.023 0.341 2.635 217 HD22 LEU 30 HD22 LEU 30 -6.006 -0.758 4.013 218 HD23 LEU 30 HD23 LEU 30 -6.788 0.820 4.152 219 H GLU 31 H GLU 31 -8.712 -3.344 1.777 220 HA GLU 31 HA GLU 31 -10.414 -1.873 -0.022 221 HB2 GLU 31 HB2 GLU 31 -7.939 -2.510 -0.400 222 HB3 GLU 31 HB3 GLU 31 -8.546 -4.131 -0.758 223 HG2 GLU 31 HG2 GLU 31 -9.517 -1.705 -2.257 224 HG3 GLU 31 HG3 GLU 31 -8.061 -2.590 -2.728 225 H ARG 32 H ARG 32 -9.735 -5.350 0.240 226 HA ARG 32 HA ARG 32 -12.542 -6.012 0.403 227 HB2 ARG 32 HB2 ARG 32 -10.877 -6.819 -2.003 228 HB3 ARG 32 HB3 ARG 32 -12.351 -7.666 -1.533 229 HG2 ARG 32 HG2 ARG 32 -12.196 -4.743 -2.323 230 HG3 ARG 32 HG3 ARG 32 -12.689 -6.053 -3.396 231 HD2 ARG 32 HD2 ARG 32 -14.133 -4.868 -1.051 232 HD3 ARG 32 HD3 ARG 32 -14.709 -5.190 -2.679 233 HE ARG 32 HE ARG 32 -14.309 -7.663 -1.859 234 HH11 ARG 32 HH11 ARG 32 -15.760 -4.984 -0.148 235 HH12 ARG 32 HH12 ARG 32 -16.815 -5.988 0.787 236 HH21 ARG 32 HH21 ARG 32 -15.675 -8.994 -0.611 237 HH22 ARG 32 HH22 ARG 32 -16.765 -8.277 0.531 238 H SER 33 H SER 33 -12.571 -7.455 1.985 239 HA SER 33 HA SER 33 -11.075 -9.887 1.798 240 HB2 SER 33 HB2 SER 33 -9.371 -8.266 2.779 241 HB3 SER 33 HB3 SER 33 -10.426 -8.135 4.186 242 HG SER 33 HG SER 33 -8.608 -9.993 3.667 Start of MODEL 38 1 HA ALA 1 HA ALA 1 -15.781 -0.457 -0.286 2 HB1 ALA 1 HB1 ALA 1 -15.682 0.910 -2.298 3 HB2 ALA 1 HB2 ALA 1 -16.892 2.005 -1.634 4 HB3 ALA 1 HB3 ALA 1 -17.326 0.342 -2.020 5 H SER 2 H SER 2 -13.685 0.587 -0.836 6 HA SER 2 HA SER 2 -13.100 2.956 0.798 7 HB2 SER 2 HB2 SER 2 -11.657 0.293 1.074 8 HB3 SER 2 HB3 SER 2 -11.117 1.797 1.810 9 HG SER 2 HG SER 2 -12.539 1.544 3.325 10 HA PRO 3 HA PRO 3 -11.013 2.530 -3.454 11 HB2 PRO 3 HB2 PRO 3 -12.139 5.226 -3.889 12 HB3 PRO 3 HB3 PRO 3 -12.178 3.797 -4.944 13 HG2 PRO 3 HG2 PRO 3 -14.371 4.659 -3.664 14 HG3 PRO 3 HG3 PRO 3 -14.053 2.933 -3.931 15 HD2 PRO 3 HD2 PRO 3 -13.709 4.535 -1.400 16 HD3 PRO 3 HD3 PRO 3 -14.296 2.860 -1.622 17 H GLN 4 H GLN 4 -11.349 5.682 -1.774 18 HA GLN 4 HA GLN 4 -8.885 6.648 -2.735 19 HB2 GLN 4 HB2 GLN 4 -10.749 8.097 -2.003 20 HB3 GLN 4 HB3 GLN 4 -10.460 7.598 -0.340 21 HG2 GLN 4 HG2 GLN 4 -9.452 9.762 -0.723 22 HG3 GLN 4 HG3 GLN 4 -8.193 8.554 -0.475 23 HE21 GLN 4 HE21 GLN 4 -9.977 8.816 -3.472 24 HE22 GLN 4 HE22 GLN 4 -8.654 9.405 -4.426 25 H GLN 5 H GLN 5 -9.803 5.185 0.352 26 HA GLN 5 HA GLN 5 -7.309 5.610 1.603 27 HB2 GLN 5 HB2 GLN 5 -9.500 3.632 2.172 28 HB3 GLN 5 HB3 GLN 5 -8.030 3.711 3.129 29 HG2 GLN 5 HG2 GLN 5 -10.015 5.953 2.761 30 HG3 GLN 5 HG3 GLN 5 -9.853 4.939 4.192 31 HE21 GLN 5 HE21 GLN 5 -6.906 4.922 4.001 32 HE22 GLN 5 HE22 GLN 5 -6.400 6.488 4.537 33 H ALA 6 H ALA 6 -8.568 3.007 -0.382 34 HA ALA 6 HA ALA 6 -6.391 1.237 -0.104 35 HB1 ALA 6 HB1 ALA 6 -7.162 0.187 -2.144 36 HB2 ALA 6 HB2 ALA 6 -8.145 1.596 -2.534 37 HB3 ALA 6 HB3 ALA 6 -8.549 0.604 -1.135 38 H LYS 7 H LYS 7 -7.018 3.915 -2.308 39 HA LYS 7 HA LYS 7 -4.707 3.587 -3.898 40 HB2 LYS 7 HB2 LYS 7 -6.647 4.956 -4.595 41 HB3 LYS 7 HB3 LYS 7 -6.277 6.115 -3.330 42 HG2 LYS 7 HG2 LYS 7 -5.521 6.899 -5.504 43 HG3 LYS 7 HG3 LYS 7 -4.156 6.651 -4.385 44 HD2 LYS 7 HD2 LYS 7 -3.602 5.782 -6.618 45 HD3 LYS 7 HD3 LYS 7 -3.698 4.467 -5.444 46 HE2 LYS 7 HE2 LYS 7 -6.013 3.990 -6.233 47 HE3 LYS 7 HE3 LYS 7 -5.810 5.245 -7.457 48 HZ1 LYS 7 HZ1 LYS 7 -4.145 2.804 -7.209 49 HZ2 LYS 7 HZ2 LYS 7 -3.990 3.991 -8.402 50 HZ3 LYS 7 HZ3 LYS 7 -5.380 3.034 -8.340 51 H TYR 8 H TYR 8 -5.368 5.519 -1.009 52 HA TYR 8 HA TYR 8 -2.859 6.763 -0.798 53 HB2 TYR 8 HB2 TYR 8 -4.875 7.422 0.509 54 HB3 TYR 8 HB3 TYR 8 -4.712 5.937 1.447 55 HD1 TYR 8 HD1 TYR 8 -3.068 9.153 0.664 56 HD2 TYR 8 HD2 TYR 8 -3.231 5.804 3.282 57 HE1 TYR 8 HE1 TYR 8 -1.582 10.317 2.239 58 HE2 TYR 8 HE2 TYR 8 -1.742 6.956 4.860 59 HH TYR 8 HH TYR 8 -1.027 10.275 4.609 60 H CYS 9 H CYS 9 -4.056 3.667 0.375 61 HA CYS 9 HA CYS 9 -1.824 2.973 1.950 62 HB2 CYS 9 HB2 CYS 9 -4.062 1.849 2.042 63 HB3 CYS 9 HB3 CYS 9 -3.697 1.074 0.495 64 H TYR 10 H TYR 10 -2.652 2.117 -1.413 65 HA TYR 10 HA TYR 10 -0.221 0.701 -1.851 66 HB2 TYR 10 HB2 TYR 10 -2.364 1.749 -3.706 67 HB3 TYR 10 HB3 TYR 10 -0.894 0.986 -4.319 68 HD1 TYR 10 HD1 TYR 10 -0.367 -1.365 -3.572 69 HD2 TYR 10 HD2 TYR 10 -4.181 0.424 -2.975 70 HE1 TYR 10 HE1 TYR 10 -1.359 -3.584 -3.293 71 HE2 TYR 10 HE2 TYR 10 -5.182 -1.797 -2.696 72 HH TYR 10 HH TYR 10 -4.709 -4.134 -3.325 73 H GLU 11 H GLU 11 -1.172 4.056 -2.257 74 HA GLU 11 HA GLU 11 1.044 4.808 -3.832 75 HB2 GLU 11 HB2 GLU 11 -0.980 6.220 -3.610 76 HB3 GLU 11 HB3 GLU 11 -0.568 6.525 -1.909 77 HG2 GLU 11 HG2 GLU 11 1.506 7.625 -2.627 78 HG3 GLU 11 HG3 GLU 11 1.049 7.346 -4.323 79 H GLN 12 H GLN 12 0.508 4.930 -0.287 80 HA GLN 12 HA GLN 12 3.105 6.101 0.079 81 HB2 GLN 12 HB2 GLN 12 1.062 5.167 2.102 82 HB3 GLN 12 HB3 GLN 12 2.527 6.051 2.490 83 HG2 GLN 12 HG2 GLN 12 0.606 7.180 0.522 84 HG3 GLN 12 HG3 GLN 12 0.262 7.288 2.242 85 HE21 GLN 12 HE21 GLN 12 3.523 7.366 1.030 86 HE22 GLN 12 HE22 GLN 12 3.812 9.036 1.371 87 H CYS 13 H CYS 13 1.780 2.879 0.209 88 HA CYS 13 HA CYS 13 3.573 1.670 1.979 89 HB2 CYS 13 HB2 CYS 13 2.973 -0.450 0.929 90 HB3 CYS 13 HB3 CYS 13 1.526 0.562 1.013 91 H ASN 14 H ASN 14 3.822 2.026 -1.543 92 HA ASN 14 HA ASN 14 6.463 0.903 -1.615 93 HB2 ASN 14 HB2 ASN 14 4.743 0.873 -3.524 94 HB3 ASN 14 HB3 ASN 14 5.210 2.545 -3.826 95 HD21 ASN 14 HD21 ASN 14 7.384 -0.038 -2.785 96 HD22 ASN 14 HD22 ASN 14 8.318 -0.053 -4.245 97 H VAL 15 H VAL 15 5.167 4.118 -1.254 98 HA VAL 15 HA VAL 15 7.529 5.530 -1.952 99 HB VAL 15 HB VAL 15 5.146 6.353 -0.286 100 HG11 VAL 15 HG11 VAL 15 7.467 8.066 -1.183 101 HG12 VAL 15 HG12 VAL 15 7.103 7.602 0.479 102 HG13 VAL 15 HG13 VAL 15 5.996 8.652 -0.407 103 HG21 VAL 15 HG21 VAL 15 4.610 7.745 -2.233 104 HG22 VAL 15 HG22 VAL 15 4.708 6.041 -2.674 105 HG23 VAL 15 HG23 VAL 15 6.038 7.132 -3.066 106 H ASN 16 H ASN 16 6.243 4.267 1.105 107 HA ASN 16 HA ASN 16 8.316 5.414 2.709 108 HB2 ASN 16 HB2 ASN 16 6.569 2.993 3.292 109 HB3 ASN 16 HB3 ASN 16 7.548 3.874 4.469 110 HD21 ASN 16 HD21 ASN 16 6.879 6.479 3.325 111 HD22 ASN 16 HD22 ASN 16 5.245 6.793 3.811 112 H LYS 17 H LYS 17 7.732 1.933 2.365 113 HA LYS 17 HA LYS 17 9.868 1.272 0.759 114 HB2 LYS 17 HB2 LYS 17 11.222 2.150 2.695 115 HB3 LYS 17 HB3 LYS 17 10.569 0.822 3.663 116 HG2 LYS 17 HG2 LYS 17 11.579 -0.795 2.106 117 HG3 LYS 17 HG3 LYS 17 12.260 0.546 1.175 118 HD2 LYS 17 HD2 LYS 17 13.561 1.284 3.073 119 HD3 LYS 17 HD3 LYS 17 12.833 0.043 4.115 120 HE2 LYS 17 HE2 LYS 17 13.811 -1.682 2.591 121 HE3 LYS 17 HE3 LYS 17 14.632 -0.389 1.719 122 HZ1 LYS 17 HZ1 LYS 17 15.760 0.207 3.792 123 HZ2 LYS 17 HZ2 LYS 17 16.105 -1.381 3.327 124 HZ3 LYS 17 HZ3 LYS 17 15.010 -1.088 4.582 125 H VAL 18 H VAL 18 7.954 -0.070 0.154 126 HA VAL 18 HA VAL 18 8.279 -2.669 1.386 127 HB VAL 18 HB VAL 18 6.203 -3.083 2.222 128 HG11 VAL 18 HG11 VAL 18 6.884 -1.084 3.444 129 HG12 VAL 18 HG12 VAL 18 5.129 -1.221 3.333 130 HG13 VAL 18 HG13 VAL 18 5.992 -0.076 2.305 131 HG21 VAL 18 HG21 VAL 18 4.973 -1.200 0.222 132 HG22 VAL 18 HG22 VAL 18 4.094 -2.265 1.323 133 HG23 VAL 18 HG23 VAL 18 5.121 -2.950 0.061 134 HA PRO 19 HA PRO 19 7.763 -3.834 -2.913 135 HB2 PRO 19 HB2 PRO 19 6.964 -6.471 -1.879 136 HB3 PRO 19 HB3 PRO 19 8.345 -6.043 -2.903 137 HG2 PRO 19 HG2 PRO 19 8.659 -6.771 -0.331 138 HG3 PRO 19 HG3 PRO 19 9.707 -5.573 -1.115 139 HD2 PRO 19 HD2 PRO 19 7.431 -5.129 0.788 140 HD3 PRO 19 HD3 PRO 19 8.994 -4.288 0.655 141 H PHE 20 H PHE 20 6.036 -4.358 -4.375 142 HA PHE 20 HA PHE 20 3.523 -3.400 -3.657 143 HB2 PHE 20 HB2 PHE 20 4.290 -3.538 -5.997 144 HB3 PHE 20 HB3 PHE 20 4.163 -5.292 -5.936 145 HD1 PHE 20 HD1 PHE 20 2.022 -6.394 -6.036 146 HD2 PHE 20 HD2 PHE 20 2.294 -2.146 -6.020 147 HE1 PHE 20 HE1 PHE 20 -0.332 -6.245 -6.730 148 HE2 PHE 20 HE2 PHE 20 -0.062 -1.994 -6.711 149 HZ PHE 20 HZ PHE 20 -1.377 -4.042 -7.064 150 H ASP 21 H ASP 21 4.660 -6.760 -3.769 151 HA ASP 21 HA ASP 21 2.179 -7.987 -3.295 152 HB2 ASP 21 HB2 ASP 21 3.511 -9.916 -2.464 153 HB3 ASP 21 HB3 ASP 21 4.064 -9.315 -4.026 154 H GLN 22 H GLN 22 4.600 -6.690 -1.064 155 HA GLN 22 HA GLN 22 3.151 -7.448 1.271 156 HB2 GLN 22 HB2 GLN 22 5.595 -7.019 1.290 157 HB3 GLN 22 HB3 GLN 22 5.280 -5.317 0.971 158 HG2 GLN 22 HG2 GLN 22 4.117 -5.104 3.083 159 HG3 GLN 22 HG3 GLN 22 4.331 -6.829 3.393 160 HE21 GLN 22 HE21 GLN 22 6.338 -7.618 3.947 161 HE22 GLN 22 HE22 GLN 22 7.615 -6.586 4.495 162 H CYS 23 H CYS 23 3.163 -4.606 -0.840 163 HA CYS 23 HA CYS 23 1.465 -2.984 0.693 164 HB2 CYS 23 HB2 CYS 23 1.462 -3.326 -2.326 165 HB3 CYS 23 HB3 CYS 23 0.630 -2.048 -1.456 166 H TYR 24 H TYR 24 0.715 -5.548 -1.629 167 HA TYR 24 HA TYR 24 -2.060 -5.423 -1.481 168 HB2 TYR 24 HB2 TYR 24 -0.688 -6.764 -3.145 169 HB3 TYR 24 HB3 TYR 24 -0.461 -7.969 -1.868 170 HD1 TYR 24 HD1 TYR 24 -2.284 -9.395 -1.174 171 HD2 TYR 24 HD2 TYR 24 -2.860 -6.432 -4.162 172 HE1 TYR 24 HE1 TYR 24 -4.411 -10.447 -1.792 173 HE2 TYR 24 HE2 TYR 24 -4.991 -7.473 -4.794 174 HH TYR 24 HH TYR 24 -6.067 -9.696 -4.642 175 H GLN 25 H GLN 25 0.246 -7.180 0.567 176 HA GLN 25 HA GLN 25 -1.708 -8.753 1.873 177 HB2 GLN 25 HB2 GLN 25 -0.014 -9.484 3.355 178 HB3 GLN 25 HB3 GLN 25 0.839 -9.142 1.856 179 HG2 GLN 25 HG2 GLN 25 1.654 -7.045 2.746 180 HG3 GLN 25 HG3 GLN 25 0.681 -7.252 4.198 181 HE21 GLN 25 HE21 GLN 25 2.341 -9.921 2.693 182 HE22 GLN 25 HE22 GLN 25 3.529 -10.127 3.939 183 H MET 26 H MET 26 -0.556 -5.512 2.440 184 HA MET 26 HA MET 26 -1.926 -5.350 4.996 185 HB2 MET 26 HB2 MET 26 0.172 -4.227 4.944 186 HB3 MET 26 HB3 MET 26 -0.211 -3.443 3.421 187 HG2 MET 26 HG2 MET 26 -1.901 -2.069 4.546 188 HG3 MET 26 HG3 MET 26 -1.514 -2.854 6.076 189 HE1 MET 26 HE1 MET 26 1.524 -0.218 3.785 190 HE2 MET 26 HE2 MET 26 -0.058 -0.665 3.143 191 HE3 MET 26 HE3 MET 26 1.197 -1.890 3.337 192 H CYS 27 H CYS 27 -2.192 -3.944 1.744 193 HA CYS 27 HA CYS 27 -4.378 -2.250 2.538 194 HB2 CYS 27 HB2 CYS 27 -3.429 -2.817 -0.286 195 HB3 CYS 27 HB3 CYS 27 -4.348 -1.414 0.292 196 H SER 28 H SER 28 -4.195 -5.502 1.345 197 HA SER 28 HA SER 28 -6.610 -5.496 -0.089 198 HB2 SER 28 HB2 SER 28 -6.575 -8.006 0.202 199 HB3 SER 28 HB3 SER 28 -5.155 -7.290 -0.567 200 HG SER 28 HG SER 28 -3.968 -7.715 1.178 201 HA PRO 29 HA PRO 29 -8.859 -7.049 3.970 202 HB2 PRO 29 HB2 PRO 29 -7.120 -5.769 6.011 203 HB3 PRO 29 HB3 PRO 29 -7.970 -7.325 6.073 204 HG2 PRO 29 HG2 PRO 29 -5.339 -7.279 5.730 205 HG3 PRO 29 HG3 PRO 29 -6.348 -8.417 4.798 206 HD2 PRO 29 HD2 PRO 29 -5.144 -5.798 3.916 207 HD3 PRO 29 HD3 PRO 29 -5.224 -7.354 3.050 208 H LEU 30 H LEU 30 -7.298 -4.099 3.322 209 HA LEU 30 HA LEU 30 -9.119 -2.392 4.773 210 HB2 LEU 30 HB2 LEU 30 -6.648 -1.920 4.197 211 HB3 LEU 30 HB3 LEU 30 -7.218 -1.613 2.549 212 HG LEU 30 HG LEU 30 -7.900 -0.019 5.043 213 HD11 LEU 30 HD11 LEU 30 -6.328 0.637 2.552 214 HD12 LEU 30 HD12 LEU 30 -5.664 0.376 4.168 215 HD13 LEU 30 HD13 LEU 30 -6.703 1.768 3.853 216 HD21 LEU 30 HD21 LEU 30 -8.822 0.426 2.196 217 HD22 LEU 30 HD22 LEU 30 -9.113 1.500 3.565 218 HD23 LEU 30 HD23 LEU 30 -9.839 -0.108 3.534 219 H GLU 31 H GLU 31 -8.320 -2.939 1.377 220 HA GLU 31 HA GLU 31 -10.465 -1.438 0.338 221 HB2 GLU 31 HB2 GLU 31 -8.369 -1.990 -0.903 222 HB3 GLU 31 HB3 GLU 31 -8.921 -3.665 -1.019 223 HG2 GLU 31 HG2 GLU 31 -10.906 -2.867 -2.279 224 HG3 GLU 31 HG3 GLU 31 -10.216 -1.238 -2.270 225 H ARG 32 H ARG 32 -10.042 -4.962 0.663 226 HA ARG 32 HA ARG 32 -12.971 -5.230 0.621 227 HB2 ARG 32 HB2 ARG 32 -11.087 -7.080 -0.884 228 HB3 ARG 32 HB3 ARG 32 -12.842 -7.239 -0.789 229 HG2 ARG 32 HG2 ARG 32 -11.286 -5.056 -2.210 230 HG3 ARG 32 HG3 ARG 32 -12.208 -6.353 -2.965 231 HD2 ARG 32 HD2 ARG 32 -13.185 -3.897 -1.550 232 HD3 ARG 32 HD3 ARG 32 -13.611 -4.520 -3.137 233 HE ARG 32 HE ARG 32 -14.751 -6.381 -1.851 234 HH11 ARG 32 HH11 ARG 32 -14.359 -3.163 -0.530 235 HH12 ARG 32 HH12 ARG 32 -15.807 -3.238 0.426 236 HH21 ARG 32 HH21 ARG 32 -16.656 -6.486 -0.592 237 HH22 ARG 32 HH22 ARG 32 -17.115 -5.129 0.389 238 H SER 33 H SER 33 -13.365 -7.782 1.079 239 HA SER 33 HA SER 33 -11.482 -8.870 2.979 240 HB2 SER 33 HB2 SER 33 -14.229 -7.971 3.908 241 HB3 SER 33 HB3 SER 33 -13.139 -8.995 4.843 242 HG SER 33 HG SER 33 -11.783 -6.856 4.017 Start of MODEL 39 1 HA ALA 1 HA ALA 1 -14.835 -1.299 0.977 2 HB1 ALA 1 HB1 ALA 1 -16.723 -0.976 -0.541 3 HB2 ALA 1 HB2 ALA 1 -15.351 0.028 -1.008 4 HB3 ALA 1 HB3 ALA 1 -16.729 0.748 -0.175 5 H SER 2 H SER 2 -13.169 0.211 0.145 6 HA SER 2 HA SER 2 -13.105 2.891 1.254 7 HB2 SER 2 HB2 SER 2 -12.342 1.210 3.116 8 HB3 SER 2 HB3 SER 2 -10.863 1.083 2.162 9 HG SER 2 HG SER 2 -11.530 3.670 2.470 10 HA PRO 3 HA PRO 3 -10.736 1.778 -2.734 11 HB2 PRO 3 HB2 PRO 3 -12.333 4.054 -3.766 12 HB3 PRO 3 HB3 PRO 3 -11.989 2.478 -4.510 13 HG2 PRO 3 HG2 PRO 3 -14.399 3.021 -3.517 14 HG3 PRO 3 HG3 PRO 3 -13.671 1.411 -3.346 15 HD2 PRO 3 HD2 PRO 3 -13.912 3.592 -1.275 16 HD3 PRO 3 HD3 PRO 3 -14.084 1.820 -1.092 17 H GLN 4 H GLN 4 -11.556 4.937 -1.336 18 HA GLN 4 HA GLN 4 -9.440 6.314 -2.660 19 HB2 GLN 4 HB2 GLN 4 -11.125 7.089 -0.275 20 HB3 GLN 4 HB3 GLN 4 -9.930 8.150 -1.003 21 HG2 GLN 4 HG2 GLN 4 -11.173 8.128 -3.110 22 HG3 GLN 4 HG3 GLN 4 -12.365 7.038 -2.404 23 HE21 GLN 4 HE21 GLN 4 -12.267 8.400 0.199 24 HE22 GLN 4 HE22 GLN 4 -13.142 9.879 -0.018 25 H GLN 5 H GLN 5 -9.864 5.101 0.635 26 HA GLN 5 HA GLN 5 -7.304 5.913 1.525 27 HB2 GLN 5 HB2 GLN 5 -9.243 3.864 2.573 28 HB3 GLN 5 HB3 GLN 5 -7.686 4.154 3.335 29 HG2 GLN 5 HG2 GLN 5 -9.816 6.250 2.928 30 HG3 GLN 5 HG3 GLN 5 -9.541 5.367 4.427 31 HE21 GLN 5 HE21 GLN 5 -6.614 5.410 4.098 32 HE22 GLN 5 HE22 GLN 5 -6.131 7.029 4.472 33 H ALA 6 H ALA 6 -8.493 3.069 -0.089 34 HA ALA 6 HA ALA 6 -6.221 1.441 0.252 35 HB1 ALA 6 HB1 ALA 6 -7.086 0.066 -1.482 36 HB2 ALA 6 HB2 ALA 6 -8.064 1.384 -2.120 37 HB3 ALA 6 HB3 ALA 6 -8.460 0.673 -0.555 38 H LYS 7 H LYS 7 -7.084 3.817 -2.218 39 HA LYS 7 HA LYS 7 -4.874 3.337 -3.917 40 HB2 LYS 7 HB2 LYS 7 -6.988 4.629 -4.481 41 HB3 LYS 7 HB3 LYS 7 -6.321 5.972 -3.568 42 HG2 LYS 7 HG2 LYS 7 -5.955 6.291 -5.935 43 HG3 LYS 7 HG3 LYS 7 -4.400 6.064 -5.093 44 HD2 LYS 7 HD2 LYS 7 -4.324 3.732 -5.817 45 HD3 LYS 7 HD3 LYS 7 -5.912 3.882 -6.575 46 HE2 LYS 7 HE2 LYS 7 -4.065 4.004 -8.224 47 HE3 LYS 7 HE3 LYS 7 -5.022 5.483 -8.178 48 HZ1 LYS 7 HZ1 LYS 7 -2.633 5.912 -8.265 49 HZ2 LYS 7 HZ2 LYS 7 -2.421 5.094 -6.803 50 HZ3 LYS 7 HZ3 LYS 7 -3.321 6.525 -6.848 51 H TYR 8 H TYR 8 -5.380 5.409 -1.141 52 HA TYR 8 HA TYR 8 -2.894 6.758 -1.198 53 HB2 TYR 8 HB2 TYR 8 -4.835 7.548 0.106 54 HB3 TYR 8 HB3 TYR 8 -4.715 6.123 1.137 55 HD1 TYR 8 HD1 TYR 8 -2.987 9.244 0.165 56 HD2 TYR 8 HD2 TYR 8 -3.254 6.068 2.979 57 HE1 TYR 8 HE1 TYR 8 -1.498 10.472 1.689 58 HE2 TYR 8 HE2 TYR 8 -1.765 7.282 4.505 59 HH TYR 8 HH TYR 8 -0.045 9.027 4.391 60 H CYS 9 H CYS 9 -4.001 3.778 0.328 61 HA CYS 9 HA CYS 9 -1.673 3.228 1.817 62 HB2 CYS 9 HB2 CYS 9 -3.856 2.094 2.195 63 HB3 CYS 9 HB3 CYS 9 -3.655 1.243 0.657 64 H TYR 10 H TYR 10 -2.697 2.080 -1.401 65 HA TYR 10 HA TYR 10 -0.364 0.556 -1.895 66 HB2 TYR 10 HB2 TYR 10 -2.501 1.702 -3.688 67 HB3 TYR 10 HB3 TYR 10 -1.086 0.888 -4.362 68 HD1 TYR 10 HD1 TYR 10 -4.342 0.456 -2.908 69 HD2 TYR 10 HD2 TYR 10 -0.642 -1.495 -3.671 70 HE1 TYR 10 HE1 TYR 10 -5.442 -1.721 -2.661 71 HE2 TYR 10 HE2 TYR 10 -1.730 -3.673 -3.419 72 HH TYR 10 HH TYR 10 -3.771 -4.616 -2.291 73 H GLU 11 H GLU 11 -0.986 3.942 -2.095 74 HA GLU 11 HA GLU 11 1.219 4.497 -3.836 75 HB2 GLU 11 HB2 GLU 11 -0.879 5.970 -3.405 76 HB3 GLU 11 HB3 GLU 11 0.008 6.504 -1.958 77 HG2 GLU 11 HG2 GLU 11 0.367 8.060 -3.762 78 HG3 GLU 11 HG3 GLU 11 1.880 7.201 -3.390 79 H GLN 12 H GLN 12 0.611 5.138 -0.382 80 HA GLN 12 HA GLN 12 3.254 6.047 0.057 81 HB2 GLN 12 HB2 GLN 12 1.053 5.303 1.985 82 HB3 GLN 12 HB3 GLN 12 2.582 6.009 2.478 83 HG2 GLN 12 HG2 GLN 12 0.930 7.364 0.409 84 HG3 GLN 12 HG3 GLN 12 0.499 7.504 2.107 85 HE21 GLN 12 HE21 GLN 12 3.818 7.190 1.126 86 HE22 GLN 12 HE22 GLN 12 4.283 8.814 1.502 87 H CYS 13 H CYS 13 1.840 2.888 0.138 88 HA CYS 13 HA CYS 13 3.445 1.633 2.044 89 HB2 CYS 13 HB2 CYS 13 2.891 -0.473 0.922 90 HB3 CYS 13 HB3 CYS 13 1.464 0.573 0.936 91 H ASN 14 H ASN 14 4.005 1.833 -1.475 92 HA ASN 14 HA ASN 14 6.662 0.776 -1.239 93 HB2 ASN 14 HB2 ASN 14 5.290 0.541 -3.316 94 HB3 ASN 14 HB3 ASN 14 5.461 2.273 -3.593 95 HD21 ASN 14 HD21 ASN 14 8.004 0.188 -2.325 96 HD22 ASN 14 HD22 ASN 14 9.046 0.347 -3.700 97 H VAL 15 H VAL 15 5.294 3.985 -1.145 98 HA VAL 15 HA VAL 15 7.671 5.410 -1.713 99 HB VAL 15 HB VAL 15 5.212 6.275 -0.180 100 HG11 VAL 15 HG11 VAL 15 6.014 8.574 -0.489 101 HG12 VAL 15 HG12 VAL 15 7.500 7.956 -1.211 102 HG13 VAL 15 HG13 VAL 15 7.141 7.625 0.484 103 HG21 VAL 15 HG21 VAL 15 4.778 5.764 -2.530 104 HG22 VAL 15 HG22 VAL 15 6.101 6.821 -3.019 105 HG23 VAL 15 HG23 VAL 15 4.668 7.499 -2.245 106 H ASN 16 H ASN 16 6.212 4.207 1.290 107 HA ASN 16 HA ASN 16 8.194 5.356 2.998 108 HB2 ASN 16 HB2 ASN 16 6.458 2.899 3.458 109 HB3 ASN 16 HB3 ASN 16 7.385 3.756 4.694 110 HD21 ASN 16 HD21 ASN 16 6.725 6.376 3.531 111 HD22 ASN 16 HD22 ASN 16 5.081 6.672 3.981 112 H LYS 17 H LYS 17 7.710 1.863 2.630 113 HA LYS 17 HA LYS 17 9.763 1.321 0.889 114 HB2 LYS 17 HB2 LYS 17 11.458 0.266 2.407 115 HB3 LYS 17 HB3 LYS 17 11.412 2.033 2.453 116 HG2 LYS 17 HG2 LYS 17 10.116 1.942 4.531 117 HG3 LYS 17 HG3 LYS 17 10.187 0.175 4.490 118 HD2 LYS 17 HD2 LYS 17 12.591 0.201 4.651 119 HD3 LYS 17 HD3 LYS 17 12.632 1.975 4.546 120 HE2 LYS 17 HE2 LYS 17 11.390 2.104 6.665 121 HE3 LYS 17 HE3 LYS 17 11.352 0.344 6.751 122 HZ1 LYS 17 HZ1 LYS 17 13.775 2.055 6.833 123 HZ2 LYS 17 HZ2 LYS 17 13.789 0.366 6.812 124 HZ3 LYS 17 HZ3 LYS 17 13.113 1.184 8.126 125 H VAL 18 H VAL 18 7.879 -0.022 0.297 126 HA VAL 18 HA VAL 18 8.325 -2.683 1.392 127 HB VAL 18 HB VAL 18 6.139 -3.265 1.924 128 HG11 VAL 18 HG11 VAL 18 5.162 -1.620 3.402 129 HG12 VAL 18 HG12 VAL 18 6.128 -0.342 2.662 130 HG13 VAL 18 HG13 VAL 18 6.920 -1.632 3.569 131 HG21 VAL 18 HG21 VAL 18 5.149 -2.581 -0.172 132 HG22 VAL 18 HG22 VAL 18 5.124 -0.899 0.366 133 HG23 VAL 18 HG23 VAL 18 4.128 -2.105 1.187 134 HA PRO 19 HA PRO 19 7.759 -3.725 -2.970 135 HB2 PRO 19 HB2 PRO 19 6.941 -6.384 -2.024 136 HB3 PRO 19 HB3 PRO 19 8.332 -5.935 -3.025 137 HG2 PRO 19 HG2 PRO 19 8.634 -6.764 -0.484 138 HG3 PRO 19 HG3 PRO 19 9.689 -5.540 -1.218 139 HD2 PRO 19 HD2 PRO 19 7.386 -5.151 0.670 140 HD3 PRO 19 HD3 PRO 19 8.972 -4.343 0.620 141 H PHE 20 H PHE 20 5.985 -4.212 -4.400 142 HA PHE 20 HA PHE 20 3.486 -3.281 -3.516 143 HB2 PHE 20 HB2 PHE 20 4.288 -3.245 -5.894 144 HB3 PHE 20 HB3 PHE 20 3.966 -4.974 -5.977 145 HD1 PHE 20 HD1 PHE 20 1.695 -5.821 -6.009 146 HD2 PHE 20 HD2 PHE 20 2.483 -1.645 -5.804 147 HE1 PHE 20 HE1 PHE 20 -0.648 -5.354 -6.602 148 HE2 PHE 20 HE2 PHE 20 0.144 -1.172 -6.394 149 HZ PHE 20 HZ PHE 20 -1.426 -3.027 -6.791 150 H ASP 21 H ASP 21 4.696 -6.588 -3.917 151 HA ASP 21 HA ASP 21 2.277 -7.927 -3.471 152 HB2 ASP 21 HB2 ASP 21 3.639 -9.854 -2.751 153 HB3 ASP 21 HB3 ASP 21 4.248 -9.139 -4.239 154 H GLN 22 H GLN 22 4.556 -6.475 -1.238 155 HA GLN 22 HA GLN 22 3.247 -7.376 1.131 156 HB2 GLN 22 HB2 GLN 22 5.583 -6.689 1.181 157 HB3 GLN 22 HB3 GLN 22 5.135 -5.058 0.690 158 HG2 GLN 22 HG2 GLN 22 5.568 -5.104 3.048 159 HG3 GLN 22 HG3 GLN 22 3.846 -4.812 2.768 160 HE21 GLN 22 HE21 GLN 22 2.361 -6.357 3.341 161 HE22 GLN 22 HE22 GLN 22 2.755 -7.701 4.361 162 H CYS 23 H CYS 23 3.076 -4.431 -0.866 163 HA CYS 23 HA CYS 23 1.229 -2.992 0.645 164 HB2 CYS 23 HB2 CYS 23 1.241 -3.197 -2.385 165 HB3 CYS 23 HB3 CYS 23 0.529 -1.907 -1.426 166 H TYR 24 H TYR 24 0.734 -5.601 -1.667 167 HA TYR 24 HA TYR 24 -2.084 -5.559 -1.652 168 HB2 TYR 24 HB2 TYR 24 -0.368 -6.784 -3.236 169 HB3 TYR 24 HB3 TYR 24 -0.563 -8.109 -2.078 170 HD1 TYR 24 HD1 TYR 24 -2.903 -8.995 -1.667 171 HD2 TYR 24 HD2 TYR 24 -1.962 -6.395 -4.892 172 HE1 TYR 24 HE1 TYR 24 -4.964 -9.677 -2.807 173 HE2 TYR 24 HE2 TYR 24 -4.021 -7.066 -6.046 174 HH TYR 24 HH TYR 24 -6.492 -8.867 -4.495 175 H GLN 25 H GLN 25 0.205 -6.782 0.641 176 HA GLN 25 HA GLN 25 -1.721 -8.605 1.820 177 HB2 GLN 25 HB2 GLN 25 1.107 -7.859 2.587 178 HB3 GLN 25 HB3 GLN 25 0.097 -8.902 3.583 179 HG2 GLN 25 HG2 GLN 25 1.067 -9.446 0.769 180 HG3 GLN 25 HG3 GLN 25 1.492 -10.311 2.244 181 HE21 GLN 25 HE21 GLN 25 -0.021 -11.704 3.187 182 HE22 GLN 25 HE22 GLN 25 -1.381 -12.303 2.295 183 H MET 26 H MET 26 -0.493 -5.385 2.373 184 HA MET 26 HA MET 26 -1.862 -5.214 4.930 185 HB2 MET 26 HB2 MET 26 0.249 -4.138 4.930 186 HB3 MET 26 HB3 MET 26 -0.073 -3.350 3.395 187 HG2 MET 26 HG2 MET 26 -1.776 -1.943 4.486 188 HG3 MET 26 HG3 MET 26 -1.401 -2.713 6.028 189 HE1 MET 26 HE1 MET 26 1.470 -1.930 3.396 190 HE2 MET 26 HE2 MET 26 1.744 -0.220 3.724 191 HE3 MET 26 HE3 MET 26 0.216 -0.747 3.020 192 H CYS 27 H CYS 27 -2.081 -3.712 1.707 193 HA CYS 27 HA CYS 27 -4.163 -1.930 2.561 194 HB2 CYS 27 HB2 CYS 27 -3.257 -2.504 -0.277 195 HB3 CYS 27 HB3 CYS 27 -4.139 -1.080 0.307 196 H SER 28 H SER 28 -4.104 -4.980 0.749 197 HA SER 28 HA SER 28 -6.690 -4.784 -0.278 198 HB2 SER 28 HB2 SER 28 -5.124 -7.282 0.351 199 HB3 SER 28 HB3 SER 28 -6.592 -7.213 -0.633 200 HG SER 28 HG SER 28 -5.532 -6.179 -2.194 201 HA PRO 29 HA PRO 29 -8.220 -7.289 3.714 202 HB2 PRO 29 HB2 PRO 29 -6.239 -6.039 5.565 203 HB3 PRO 29 HB3 PRO 29 -7.021 -7.632 5.658 204 HG2 PRO 29 HG2 PRO 29 -4.507 -7.470 4.847 205 HG3 PRO 29 HG3 PRO 29 -5.647 -8.550 4.004 206 HD2 PRO 29 HD2 PRO 29 -4.614 -5.851 3.166 207 HD3 PRO 29 HD3 PRO 29 -4.916 -7.304 2.184 208 H LEU 30 H LEU 30 -6.938 -4.061 3.544 209 HA LEU 30 HA LEU 30 -8.749 -2.818 5.354 210 HB2 LEU 30 HB2 LEU 30 -6.837 -1.537 4.939 211 HB3 LEU 30 HB3 LEU 30 -6.888 -1.870 3.199 212 HG LEU 30 HG LEU 30 -8.871 -0.393 3.003 213 HD11 LEU 30 HD11 LEU 30 -9.674 -0.574 5.307 214 HD12 LEU 30 HD12 LEU 30 -9.456 1.104 4.813 215 HD13 LEU 30 HD13 LEU 30 -8.270 0.336 5.868 216 HD21 LEU 30 HD21 LEU 30 -7.630 1.703 3.220 217 HD22 LEU 30 HD22 LEU 30 -6.622 0.436 2.519 218 HD23 LEU 30 HD23 LEU 30 -6.419 0.890 4.210 219 H GLU 31 H GLU 31 -8.633 -3.031 1.829 220 HA GLU 31 HA GLU 31 -11.168 -1.683 1.556 221 HB2 GLU 31 HB2 GLU 31 -9.085 -1.660 -0.035 222 HB3 GLU 31 HB3 GLU 31 -9.817 -3.128 -0.696 223 HG2 GLU 31 HG2 GLU 31 -11.069 -0.371 -0.599 224 HG3 GLU 31 HG3 GLU 31 -10.436 -1.197 -2.030 225 H ARG 32 H ARG 32 -9.956 -4.974 0.968 226 HA ARG 32 HA ARG 32 -12.745 -5.880 0.834 227 HB2 ARG 32 HB2 ARG 32 -11.645 -5.580 -1.462 228 HB3 ARG 32 HB3 ARG 32 -10.554 -6.890 -1.000 229 HG2 ARG 32 HG2 ARG 32 -12.314 -7.786 -2.388 230 HG3 ARG 32 HG3 ARG 32 -12.503 -8.395 -0.742 231 HD2 ARG 32 HD2 ARG 32 -14.538 -7.432 -2.166 232 HD3 ARG 32 HD3 ARG 32 -14.466 -7.295 -0.414 233 HE ARG 32 HE ARG 32 -13.227 -5.048 -1.625 234 HH11 ARG 32 HH11 ARG 32 -16.372 -6.450 -1.068 235 HH12 ARG 32 HH12 ARG 32 -17.197 -4.926 -1.066 236 HH21 ARG 32 HH21 ARG 32 -14.281 -3.029 -1.581 237 HH22 ARG 32 HH22 ARG 32 -16.005 -2.975 -1.358 238 H SER 33 H SER 33 -13.007 -7.226 2.488 239 HA SER 33 HA SER 33 -11.264 -9.509 2.804 240 HB2 SER 33 HB2 SER 33 -10.162 -7.622 4.131 241 HB3 SER 33 HB3 SER 33 -11.576 -7.652 5.182 242 HG SER 33 HG SER 33 -10.913 -9.460 6.053 Start of MODEL 40 1 HA ALA 1 HA ALA 1 -16.879 0.942 1.719 2 HB1 ALA 1 HB1 ALA 1 -14.132 -0.137 2.329 3 HB2 ALA 1 HB2 ALA 1 -15.646 -0.992 2.615 4 HB3 ALA 1 HB3 ALA 1 -15.294 0.498 3.491 5 H SER 2 H SER 2 -13.559 1.299 0.458 6 HA SER 2 HA SER 2 -13.909 4.155 0.245 7 HB2 SER 2 HB2 SER 2 -13.313 3.878 2.671 8 HB3 SER 2 HB3 SER 2 -11.805 3.112 2.169 9 HG SER 2 HG SER 2 -12.492 5.762 2.211 10 HA PRO 3 HA PRO 3 -11.049 2.236 -2.890 11 HB2 PRO 3 HB2 PRO 3 -12.395 4.264 -4.582 12 HB3 PRO 3 HB3 PRO 3 -12.086 2.543 -4.905 13 HG2 PRO 3 HG2 PRO 3 -14.546 3.413 -4.350 14 HG3 PRO 3 HG3 PRO 3 -13.956 1.849 -3.749 15 HD2 PRO 3 HD2 PRO 3 -14.243 4.449 -2.249 16 HD3 PRO 3 HD3 PRO 3 -14.587 2.773 -1.711 17 H GLN 4 H GLN 4 -11.636 5.300 -1.542 18 HA GLN 4 HA GLN 4 -9.569 6.689 -2.997 19 HB2 GLN 4 HB2 GLN 4 -11.310 7.502 -0.672 20 HB3 GLN 4 HB3 GLN 4 -10.072 8.543 -1.363 21 HG2 GLN 4 HG2 GLN 4 -12.413 7.415 -2.895 22 HG3 GLN 4 HG3 GLN 4 -12.338 9.042 -2.219 23 HE21 GLN 4 HE21 GLN 4 -9.527 9.408 -2.837 24 HE22 GLN 4 HE22 GLN 4 -9.424 9.634 -4.551 25 H GLN 5 H GLN 5 -10.026 5.727 0.421 26 HA GLN 5 HA GLN 5 -7.399 6.460 1.153 27 HB2 GLN 5 HB2 GLN 5 -7.784 5.496 3.249 28 HB3 GLN 5 HB3 GLN 5 -9.372 6.031 2.730 29 HG2 GLN 5 HG2 GLN 5 -9.976 3.782 2.118 30 HG3 GLN 5 HG3 GLN 5 -8.350 3.215 2.480 31 HE21 GLN 5 HE21 GLN 5 -8.105 4.886 4.865 32 HE22 GLN 5 HE22 GLN 5 -9.085 4.129 6.076 33 H ALA 6 H ALA 6 -8.748 3.622 -0.277 34 HA ALA 6 HA ALA 6 -6.652 1.807 0.096 35 HB1 ALA 6 HB1 ALA 6 -7.436 0.723 -1.976 36 HB2 ALA 6 HB2 ALA 6 -8.472 2.111 -2.290 37 HB3 ALA 6 HB3 ALA 6 -8.761 1.100 -0.872 38 H LYS 7 H LYS 7 -7.068 4.417 -2.243 39 HA LYS 7 HA LYS 7 -4.795 3.836 -3.814 40 HB2 LYS 7 HB2 LYS 7 -6.601 5.419 -4.495 41 HB3 LYS 7 HB3 LYS 7 -6.037 6.549 -3.276 42 HG2 LYS 7 HG2 LYS 7 -5.213 7.246 -5.408 43 HG3 LYS 7 HG3 LYS 7 -3.840 6.650 -4.439 44 HD2 LYS 7 HD2 LYS 7 -3.941 4.497 -5.620 45 HD3 LYS 7 HD3 LYS 7 -5.328 5.056 -6.557 46 HE2 LYS 7 HE2 LYS 7 -3.318 5.237 -7.909 47 HE3 LYS 7 HE3 LYS 7 -3.908 6.851 -7.514 48 HZ1 LYS 7 HZ1 LYS 7 -1.747 5.485 -6.015 49 HZ2 LYS 7 HZ2 LYS 7 -2.210 7.108 -5.882 50 HZ3 LYS 7 HZ3 LYS 7 -1.469 6.550 -7.296 51 H TYR 8 H TYR 8 -5.272 5.747 -0.893 52 HA TYR 8 HA TYR 8 -2.661 6.785 -0.698 53 HB2 TYR 8 HB2 TYR 8 -4.545 7.695 0.608 54 HB3 TYR 8 HB3 TYR 8 -4.656 6.179 1.504 55 HD1 TYR 8 HD1 TYR 8 -3.225 5.725 3.345 56 HD2 TYR 8 HD2 TYR 8 -2.562 9.165 0.939 57 HE1 TYR 8 HE1 TYR 8 -1.637 6.575 5.014 58 HE2 TYR 8 HE2 TYR 8 -0.972 10.030 2.605 59 HH TYR 8 HH TYR 8 0.223 8.103 5.178 60 H CYS 9 H CYS 9 -4.163 3.836 0.552 61 HA CYS 9 HA CYS 9 -2.056 2.918 2.134 62 HB2 CYS 9 HB2 CYS 9 -4.428 1.947 1.925 63 HB3 CYS 9 HB3 CYS 9 -3.828 1.064 0.517 64 H TYR 10 H TYR 10 -2.737 2.217 -1.290 65 HA TYR 10 HA TYR 10 -0.364 0.641 -1.604 66 HB2 TYR 10 HB2 TYR 10 -2.353 1.745 -3.603 67 HB3 TYR 10 HB3 TYR 10 -0.967 0.748 -4.057 68 HD1 TYR 10 HD1 TYR 10 -4.347 0.758 -2.818 69 HD2 TYR 10 HD2 TYR 10 -0.807 -1.578 -3.127 70 HE1 TYR 10 HE1 TYR 10 -5.656 -1.272 -2.421 71 HE2 TYR 10 HE2 TYR 10 -2.110 -3.610 -2.734 72 HH TYR 10 HH TYR 10 -5.504 -3.682 -2.883 73 H GLU 11 H GLU 11 -1.235 3.981 -2.364 74 HA GLU 11 HA GLU 11 0.945 4.517 -4.060 75 HB2 GLU 11 HB2 GLU 11 -1.173 5.885 -3.843 76 HB3 GLU 11 HB3 GLU 11 -0.518 6.527 -2.322 77 HG2 GLU 11 HG2 GLU 11 1.346 7.512 -3.523 78 HG3 GLU 11 HG3 GLU 11 0.744 6.822 -5.050 79 H GLN 12 H GLN 12 0.571 4.686 -0.563 80 HA GLN 12 HA GLN 12 3.084 6.040 -0.203 81 HB2 GLN 12 HB2 GLN 12 1.290 4.743 1.854 82 HB3 GLN 12 HB3 GLN 12 2.658 5.788 2.184 83 HG2 GLN 12 HG2 GLN 12 0.212 6.595 0.657 84 HG3 GLN 12 HG3 GLN 12 0.511 6.940 2.353 85 HE21 GLN 12 HE21 GLN 12 1.380 7.663 -0.914 86 HE22 GLN 12 HE22 GLN 12 2.284 9.107 -0.580 87 H CYS 13 H CYS 13 2.094 2.800 -0.618 88 HA CYS 13 HA CYS 13 3.835 1.347 0.953 89 HB2 CYS 13 HB2 CYS 13 2.903 0.745 -1.877 90 HB3 CYS 13 HB3 CYS 13 3.732 -0.411 -0.836 91 H ASN 14 H ASN 14 4.471 2.531 -2.363 92 HA ASN 14 HA ASN 14 7.188 1.597 -2.259 93 HB2 ASN 14 HB2 ASN 14 5.855 1.742 -4.386 94 HB3 ASN 14 HB3 ASN 14 5.958 3.498 -4.283 95 HD21 ASN 14 HD21 ASN 14 8.539 1.228 -3.441 96 HD22 ASN 14 HD22 ASN 14 9.608 1.724 -4.710 97 H VAL 15 H VAL 15 5.531 4.515 -1.464 98 HA VAL 15 HA VAL 15 7.735 6.292 -1.614 99 HB VAL 15 HB VAL 15 5.128 6.486 -0.101 100 HG11 VAL 15 HG11 VAL 15 5.623 8.862 0.202 101 HG12 VAL 15 HG12 VAL 15 7.209 8.631 -0.532 102 HG13 VAL 15 HG13 VAL 15 6.830 7.855 1.006 103 HG21 VAL 15 HG21 VAL 15 4.545 8.103 -1.870 104 HG22 VAL 15 HG22 VAL 15 4.868 6.497 -2.519 105 HG23 VAL 15 HG23 VAL 15 6.083 7.766 -2.663 106 H ASN 16 H ASN 16 6.277 4.405 1.035 107 HA ASN 16 HA ASN 16 8.169 5.465 2.942 108 HB2 ASN 16 HB2 ASN 16 6.246 3.122 3.163 109 HB3 ASN 16 HB3 ASN 16 7.193 3.792 4.497 110 HD21 ASN 16 HD21 ASN 16 6.852 6.541 3.616 111 HD22 ASN 16 HD22 ASN 16 5.216 6.961 3.989 112 H LYS 17 H LYS 17 7.545 2.022 2.405 113 HA LYS 17 HA LYS 17 9.720 1.352 0.877 114 HB2 LYS 17 HB2 LYS 17 11.092 2.145 2.812 115 HB3 LYS 17 HB3 LYS 17 10.343 0.883 3.802 116 HG2 LYS 17 HG2 LYS 17 11.272 -0.835 2.318 117 HG3 LYS 17 HG3 LYS 17 12.025 0.429 1.337 118 HD2 LYS 17 HD2 LYS 17 13.395 1.146 3.182 119 HD3 LYS 17 HD3 LYS 17 12.586 0.017 4.291 120 HE2 LYS 17 HE2 LYS 17 13.404 -1.849 2.833 121 HE3 LYS 17 HE3 LYS 17 14.321 -0.660 1.909 122 HZ1 LYS 17 HZ1 LYS 17 15.715 -1.707 3.548 123 HZ2 LYS 17 HZ2 LYS 17 14.658 -1.272 4.792 124 HZ3 LYS 17 HZ3 LYS 17 15.508 -0.077 3.949 125 H VAL 18 H VAL 18 7.833 0.032 0.180 126 HA VAL 18 HA VAL 18 8.089 -2.587 1.292 127 HB VAL 18 HB VAL 18 6.536 -1.964 2.950 128 HG11 VAL 18 HG11 VAL 18 5.782 0.140 2.044 129 HG12 VAL 18 HG12 VAL 18 4.390 -0.858 2.468 130 HG13 VAL 18 HG13 VAL 18 4.881 -0.697 0.782 131 HG21 VAL 18 HG21 VAL 18 5.949 -4.093 2.068 132 HG22 VAL 18 HG22 VAL 18 5.122 -3.367 0.693 133 HG23 VAL 18 HG23 VAL 18 4.438 -3.211 2.312 134 HA PRO 19 HA PRO 19 7.351 -3.421 -3.033 135 HB2 PRO 19 HB2 PRO 19 6.948 -6.150 -1.925 136 HB3 PRO 19 HB3 PRO 19 8.022 -5.616 -3.230 137 HG2 PRO 19 HG2 PRO 19 9.016 -6.259 -0.843 138 HG3 PRO 19 HG3 PRO 19 9.667 -4.897 -1.775 139 HD2 PRO 19 HD2 PRO 19 7.842 -4.856 0.600 140 HD3 PRO 19 HD3 PRO 19 9.174 -3.757 0.162 141 H PHE 20 H PHE 20 5.563 -3.750 -4.269 142 HA PHE 20 HA PHE 20 3.061 -3.178 -3.197 143 HB2 PHE 20 HB2 PHE 20 3.842 -2.857 -5.591 144 HB3 PHE 20 HB3 PHE 20 3.515 -4.566 -5.841 145 HD1 PHE 20 HD1 PHE 20 2.086 -1.260 -5.465 146 HD2 PHE 20 HD2 PHE 20 1.210 -5.414 -5.749 147 HE1 PHE 20 HE1 PHE 20 -0.260 -0.725 -5.981 148 HE2 PHE 20 HE2 PHE 20 -1.139 -4.887 -6.267 149 HZ PHE 20 HZ PHE 20 -1.875 -2.540 -6.383 150 H ASP 21 H ASP 21 4.489 -6.304 -4.015 151 HA ASP 21 HA ASP 21 2.133 -7.836 -3.716 152 HB2 ASP 21 HB2 ASP 21 3.728 -9.765 -3.444 153 HB3 ASP 21 HB3 ASP 21 3.976 -8.806 -4.900 154 H GLN 22 H GLN 22 4.790 -7.174 -1.438 155 HA GLN 22 HA GLN 22 3.582 -8.529 0.742 156 HB2 GLN 22 HB2 GLN 22 6.003 -8.017 0.641 157 HB3 GLN 22 HB3 GLN 22 5.643 -6.300 0.771 158 HG2 GLN 22 HG2 GLN 22 4.501 -6.869 2.971 159 HG3 GLN 22 HG3 GLN 22 5.290 -8.447 2.834 160 HE21 GLN 22 HE21 GLN 22 5.657 -6.372 4.839 161 HE22 GLN 22 HE22 GLN 22 7.336 -5.951 4.796 162 H CYS 23 H CYS 23 3.386 -5.243 -0.488 163 HA CYS 23 HA CYS 23 2.039 -4.205 1.810 164 HB2 CYS 23 HB2 CYS 23 3.194 -2.992 -0.318 165 HB3 CYS 23 HB3 CYS 23 1.493 -2.912 -0.799 166 H TYR 24 H TYR 24 1.029 -5.801 -1.122 167 HA TYR 24 HA TYR 24 -1.709 -5.396 -1.054 168 HB2 TYR 24 HB2 TYR 24 -0.495 -6.648 -2.846 169 HB3 TYR 24 HB3 TYR 24 -0.297 -8.002 -1.725 170 HD1 TYR 24 HD1 TYR 24 -2.239 -9.361 -1.067 171 HD2 TYR 24 HD2 TYR 24 -2.599 -6.218 -3.907 172 HE1 TYR 24 HE1 TYR 24 -4.402 -10.268 -1.785 173 HE2 TYR 24 HE2 TYR 24 -4.766 -7.114 -4.631 174 HH TYR 24 HH TYR 24 -6.416 -9.581 -2.879 175 H GLN 25 H GLN 25 0.303 -7.445 0.981 176 HA GLN 25 HA GLN 25 -1.843 -8.992 2.023 177 HB2 GLN 25 HB2 GLN 25 -0.266 -10.071 3.314 178 HB3 GLN 25 HB3 GLN 25 0.816 -9.339 2.134 179 HG2 GLN 25 HG2 GLN 25 1.235 -7.481 3.708 180 HG3 GLN 25 HG3 GLN 25 0.193 -8.270 4.888 181 HE21 GLN 25 HE21 GLN 25 1.153 -10.946 4.071 182 HE22 GLN 25 HE22 GLN 25 2.727 -11.098 4.773 183 H MET 26 H MET 26 -0.625 -5.834 2.739 184 HA MET 26 HA MET 26 -2.022 -5.705 5.284 185 HB2 MET 26 HB2 MET 26 0.139 -4.644 5.229 186 HB3 MET 26 HB3 MET 26 -0.294 -3.735 3.792 187 HG2 MET 26 HG2 MET 26 -1.970 -2.487 5.111 188 HG3 MET 26 HG3 MET 26 -1.453 -3.363 6.552 189 HE1 MET 26 HE1 MET 26 1.321 -0.467 4.235 190 HE2 MET 26 HE2 MET 26 -0.327 -0.837 3.731 191 HE3 MET 26 HE3 MET 26 0.922 -2.077 3.642 192 H CYS 27 H CYS 27 -2.190 -4.125 2.084 193 HA CYS 27 HA CYS 27 -4.477 -2.559 2.882 194 HB2 CYS 27 HB2 CYS 27 -3.353 -2.936 0.084 195 HB3 CYS 27 HB3 CYS 27 -4.457 -1.657 0.626 196 H SER 28 H SER 28 -4.168 -5.759 1.796 197 HA SER 28 HA SER 28 -6.335 -5.973 0.060 198 HB2 SER 28 HB2 SER 28 -6.351 -8.448 0.872 199 HB3 SER 28 HB3 SER 28 -4.962 -7.822 -0.024 200 HG SER 28 HG SER 28 -3.763 -7.888 1.735 201 HA PRO 29 HA PRO 29 -9.225 -7.167 3.807 202 HB2 PRO 29 HB2 PRO 29 -7.897 -5.646 5.984 203 HB3 PRO 29 HB3 PRO 29 -8.717 -7.217 6.046 204 HG2 PRO 29 HG2 PRO 29 -6.065 -7.110 6.157 205 HG3 PRO 29 HG3 PRO 29 -6.878 -8.366 5.189 206 HD2 PRO 29 HD2 PRO 29 -5.575 -5.810 4.262 207 HD3 PRO 29 HD3 PRO 29 -5.493 -7.444 3.554 208 H LEU 30 H LEU 30 -7.673 -4.249 3.066 209 HA LEU 30 HA LEU 30 -9.827 -2.524 3.989 210 HB2 LEU 30 HB2 LEU 30 -7.285 -2.000 4.045 211 HB3 LEU 30 HB3 LEU 30 -7.451 -1.725 2.303 212 HG LEU 30 HG LEU 30 -8.786 -0.150 4.531 213 HD11 LEU 30 HD11 LEU 30 -6.421 0.335 4.248 214 HD12 LEU 30 HD12 LEU 30 -7.398 1.683 3.666 215 HD13 LEU 30 HD13 LEU 30 -6.660 0.570 2.514 216 HD21 LEU 30 HD21 LEU 30 -8.967 0.305 1.547 217 HD22 LEU 30 HD22 LEU 30 -9.694 1.296 2.813 218 HD23 LEU 30 HD23 LEU 30 -10.259 -0.355 2.548 219 H GLU 31 H GLU 31 -8.135 -3.146 0.936 220 HA GLU 31 HA GLU 31 -10.154 -1.790 -0.591 221 HB2 GLU 31 HB2 GLU 31 -7.767 -1.658 -1.203 222 HB3 GLU 31 HB3 GLU 31 -7.756 -3.399 -1.508 223 HG2 GLU 31 HG2 GLU 31 -9.460 -3.040 -3.283 224 HG3 GLU 31 HG3 GLU 31 -9.275 -1.295 -3.052 225 H ARG 32 H ARG 32 -9.436 -5.136 0.144 226 HA ARG 32 HA ARG 32 -11.375 -5.963 -1.915 227 HB2 ARG 32 HB2 ARG 32 -9.190 -7.615 -0.600 228 HB3 ARG 32 HB3 ARG 32 -10.345 -8.233 -1.778 229 HG2 ARG 32 HG2 ARG 32 -8.283 -6.064 -2.317 230 HG3 ARG 32 HG3 ARG 32 -8.099 -7.759 -2.753 231 HD2 ARG 32 HD2 ARG 32 -8.747 -6.497 -4.693 232 HD3 ARG 32 HD3 ARG 32 -10.085 -7.544 -4.242 233 HE ARG 32 HE ARG 32 -10.431 -5.015 -3.046 234 HH11 ARG 32 HH11 ARG 32 -10.508 -6.510 -6.210 235 HH12 ARG 32 HH12 ARG 32 -11.641 -5.368 -6.859 236 HH21 ARG 32 HH21 ARG 32 -11.920 -3.514 -3.889 237 HH22 ARG 32 HH22 ARG 32 -12.458 -3.672 -5.532 238 H SER 33 H SER 33 -13.267 -6.669 -1.264 239 HA SER 33 HA SER 33 -13.583 -7.419 1.565 240 HB2 SER 33 HB2 SER 33 -15.768 -6.562 -0.364 241 HB3 SER 33 HB3 SER 33 -15.902 -6.753 1.384 242 HG SER 33 HG SER 33 -14.067 -5.095 1.327 Start of MODEL 41 1 HA ALA 1 HA ALA 1 -16.213 1.857 1.129 2 HB1 ALA 1 HB1 ALA 1 -18.654 2.131 1.289 3 HB2 ALA 1 HB2 ALA 1 -17.964 3.059 -0.041 4 HB3 ALA 1 HB3 ALA 1 -18.433 3.873 1.450 5 H SER 2 H SER 2 -14.384 2.725 0.423 6 HA SER 2 HA SER 2 -14.079 5.475 -0.173 7 HB2 SER 2 HB2 SER 2 -13.854 5.570 2.352 8 HB3 SER 2 HB3 SER 2 -12.428 4.544 2.199 9 HG SER 2 HG SER 2 -12.003 6.846 2.286 10 HA PRO 3 HA PRO 3 -11.281 2.484 -2.402 11 HB2 PRO 3 HB2 PRO 3 -11.801 4.486 -4.536 12 HB3 PRO 3 HB3 PRO 3 -11.821 2.711 -4.620 13 HG2 PRO 3 HG2 PRO 3 -14.092 4.108 -4.657 14 HG3 PRO 3 HG3 PRO 3 -13.970 2.561 -3.794 15 HD2 PRO 3 HD2 PRO 3 -13.978 5.351 -2.662 16 HD3 PRO 3 HD3 PRO 3 -14.714 3.852 -2.012 17 H GLN 4 H GLN 4 -11.377 5.941 -1.965 18 HA GLN 4 HA GLN 4 -8.825 6.561 -2.978 19 HB2 GLN 4 HB2 GLN 4 -10.550 8.258 -2.656 20 HB3 GLN 4 HB3 GLN 4 -10.498 8.002 -0.916 21 HG2 GLN 4 HG2 GLN 4 -8.121 8.739 -0.942 22 HG3 GLN 4 HG3 GLN 4 -8.306 9.140 -2.649 23 HE21 GLN 4 HE21 GLN 4 -11.093 10.021 -2.228 24 HE22 GLN 4 HE22 GLN 4 -10.972 11.578 -1.481 25 H GLN 5 H GLN 5 -9.954 5.721 0.278 26 HA GLN 5 HA GLN 5 -7.508 6.244 1.571 27 HB2 GLN 5 HB2 GLN 5 -8.355 5.150 3.480 28 HB3 GLN 5 HB3 GLN 5 -9.749 5.888 2.712 29 HG2 GLN 5 HG2 GLN 5 -10.413 3.749 1.789 30 HG3 GLN 5 HG3 GLN 5 -8.963 2.993 2.443 31 HE21 GLN 5 HE21 GLN 5 -9.106 4.499 4.949 32 HE22 GLN 5 HE22 GLN 5 -10.404 3.798 5.854 33 H ALA 6 H ALA 6 -8.712 3.481 -0.138 34 HA ALA 6 HA ALA 6 -6.574 1.732 0.554 35 HB1 ALA 6 HB1 ALA 6 -7.368 0.318 -1.253 36 HB2 ALA 6 HB2 ALA 6 -8.393 1.623 -1.849 37 HB3 ALA 6 HB3 ALA 6 -8.726 0.890 -0.278 38 H LYS 7 H LYS 7 -7.216 3.930 -2.125 39 HA LYS 7 HA LYS 7 -4.931 3.315 -3.646 40 HB2 LYS 7 HB2 LYS 7 -6.849 4.585 -4.537 41 HB3 LYS 7 HB3 LYS 7 -6.451 5.927 -3.475 42 HG2 LYS 7 HG2 LYS 7 -5.679 6.420 -5.685 43 HG3 LYS 7 HG3 LYS 7 -4.274 6.155 -4.620 44 HD2 LYS 7 HD2 LYS 7 -4.144 3.811 -5.471 45 HD3 LYS 7 HD3 LYS 7 -5.447 4.178 -6.606 46 HE2 LYS 7 HE2 LYS 7 -3.281 4.354 -7.725 47 HE3 LYS 7 HE3 LYS 7 -4.038 5.943 -7.610 48 HZ1 LYS 7 HZ1 LYS 7 -1.683 6.010 -7.051 49 HZ2 LYS 7 HZ2 LYS 7 -1.934 4.918 -5.786 50 HZ3 LYS 7 HZ3 LYS 7 -2.636 6.455 -5.727 51 H TYR 8 H TYR 8 -5.483 5.538 -0.975 52 HA TYR 8 HA TYR 8 -2.958 6.800 -1.006 53 HB2 TYR 8 HB2 TYR 8 -4.910 7.660 0.267 54 HB3 TYR 8 HB3 TYR 8 -4.776 6.284 1.363 55 HD1 TYR 8 HD1 TYR 8 -3.176 6.252 3.121 56 HD2 TYR 8 HD2 TYR 8 -3.129 9.388 0.251 57 HE1 TYR 8 HE1 TYR 8 -1.604 7.505 4.532 58 HE2 TYR 8 HE2 TYR 8 -1.555 10.655 1.653 59 HH TYR 8 HH TYR 8 0.143 9.280 4.200 60 H CYS 9 H CYS 9 -4.146 3.875 0.579 61 HA CYS 9 HA CYS 9 -1.810 3.293 2.050 62 HB2 CYS 9 HB2 CYS 9 -4.024 2.176 2.401 63 HB3 CYS 9 HB3 CYS 9 -3.789 1.303 0.882 64 H TYR 10 H TYR 10 -2.871 2.307 -1.187 65 HA TYR 10 HA TYR 10 -0.549 0.783 -1.772 66 HB2 TYR 10 HB2 TYR 10 -2.781 1.911 -3.451 67 HB3 TYR 10 HB3 TYR 10 -1.368 1.171 -4.209 68 HD1 TYR 10 HD1 TYR 10 -0.821 -1.207 -3.680 69 HD2 TYR 10 HD2 TYR 10 -4.521 0.567 -2.558 70 HE1 TYR 10 HE1 TYR 10 -1.802 -3.436 -3.426 71 HE2 TYR 10 HE2 TYR 10 -5.513 -1.663 -2.296 72 HH TYR 10 HH TYR 10 -3.629 -4.524 -2.279 73 H GLU 11 H GLU 11 -1.268 4.199 -2.045 74 HA GLU 11 HA GLU 11 0.879 4.688 -3.870 75 HB2 GLU 11 HB2 GLU 11 0.306 6.965 -3.782 76 HB3 GLU 11 HB3 GLU 11 -1.237 6.115 -3.585 77 HG2 GLU 11 HG2 GLU 11 -1.082 6.483 -1.159 78 HG3 GLU 11 HG3 GLU 11 0.419 7.398 -1.422 79 H GLN 12 H GLN 12 0.444 5.033 -0.356 80 HA GLN 12 HA GLN 12 3.075 6.139 -0.053 81 HB2 GLN 12 HB2 GLN 12 1.031 5.254 1.986 82 HB3 GLN 12 HB3 GLN 12 2.561 6.008 2.395 83 HG2 GLN 12 HG2 GLN 12 0.692 7.346 0.508 84 HG3 GLN 12 HG3 GLN 12 0.414 7.427 2.238 85 HE21 GLN 12 HE21 GLN 12 3.636 7.287 0.937 86 HE22 GLN 12 HE22 GLN 12 4.060 8.923 1.302 87 H CYS 13 H CYS 13 1.738 2.935 0.037 88 HA CYS 13 HA CYS 13 3.426 1.741 1.908 89 HB2 CYS 13 HB2 CYS 13 2.848 -0.394 0.857 90 HB3 CYS 13 HB3 CYS 13 1.416 0.638 0.952 91 H ASN 14 H ASN 14 3.881 1.856 -1.645 92 HA ASN 14 HA ASN 14 6.507 0.751 -1.469 93 HB2 ASN 14 HB2 ASN 14 6.715 1.492 -3.868 94 HB3 ASN 14 HB3 ASN 14 5.344 0.448 -3.528 95 HD21 ASN 14 HD21 ASN 14 6.291 3.784 -4.258 96 HD22 ASN 14 HD22 ASN 14 4.713 4.279 -4.775 97 H VAL 15 H VAL 15 5.252 3.994 -1.329 98 HA VAL 15 HA VAL 15 7.681 5.351 -1.833 99 HB VAL 15 HB VAL 15 5.223 6.240 -0.313 100 HG11 VAL 15 HG11 VAL 15 7.160 7.491 0.492 101 HG12 VAL 15 HG12 VAL 15 6.121 8.525 -0.491 102 HG13 VAL 15 HG13 VAL 15 7.615 7.879 -1.167 103 HG21 VAL 15 HG21 VAL 15 4.784 7.579 -2.320 104 HG22 VAL 15 HG22 VAL 15 4.870 5.860 -2.704 105 HG23 VAL 15 HG23 VAL 15 6.231 6.916 -3.081 106 H ASN 16 H ASN 16 6.153 4.133 1.127 107 HA ASN 16 HA ASN 16 8.119 5.196 2.890 108 HB2 ASN 16 HB2 ASN 16 6.338 2.756 3.252 109 HB3 ASN 16 HB3 ASN 16 7.259 3.554 4.529 110 HD21 ASN 16 HD21 ASN 16 6.701 6.230 3.616 111 HD22 ASN 16 HD22 ASN 16 5.034 6.535 3.983 112 H LYS 17 H LYS 17 7.595 1.719 2.429 113 HA LYS 17 HA LYS 17 9.762 1.132 0.862 114 HB2 LYS 17 HB2 LYS 17 11.451 0.219 2.365 115 HB3 LYS 17 HB3 LYS 17 11.193 1.933 2.703 116 HG2 LYS 17 HG2 LYS 17 9.985 -0.319 4.318 117 HG3 LYS 17 HG3 LYS 17 11.510 0.475 4.714 118 HD2 LYS 17 HD2 LYS 17 10.395 2.597 5.022 119 HD3 LYS 17 HD3 LYS 17 8.844 1.921 4.475 120 HE2 LYS 17 HE2 LYS 17 8.875 2.057 6.897 121 HE3 LYS 17 HE3 LYS 17 8.901 0.364 6.403 122 HZ1 LYS 17 HZ1 LYS 17 10.456 0.745 8.183 123 HZ2 LYS 17 HZ2 LYS 17 11.235 1.962 7.306 124 HZ3 LYS 17 HZ3 LYS 17 11.305 0.358 6.773 125 H VAL 18 H VAL 18 7.944 -0.228 0.116 126 HA VAL 18 HA VAL 18 8.160 -2.834 1.397 127 HB VAL 18 HB VAL 18 5.928 -3.293 1.796 128 HG11 VAL 18 HG11 VAL 18 6.659 -1.586 3.390 129 HG12 VAL 18 HG12 VAL 18 4.921 -1.520 3.098 130 HG13 VAL 18 HG13 VAL 18 5.986 -0.327 2.352 131 HG21 VAL 18 HG21 VAL 18 5.116 -2.716 -0.403 132 HG22 VAL 18 HG22 VAL 18 5.117 -1.002 0.018 133 HG23 VAL 18 HG23 VAL 18 4.023 -2.115 0.847 134 HA PRO 19 HA PRO 19 8.019 -4.127 -2.919 135 HB2 PRO 19 HB2 PRO 19 7.315 -6.756 -1.789 136 HB3 PRO 19 HB3 PRO 19 8.708 -6.307 -2.789 137 HG2 PRO 19 HG2 PRO 19 8.986 -6.896 -0.181 138 HG3 PRO 19 HG3 PRO 19 9.979 -5.664 -0.985 139 HD2 PRO 19 HD2 PRO 19 7.599 -5.288 0.807 140 HD3 PRO 19 HD3 PRO 19 9.121 -4.368 0.719 141 H PHE 20 H PHE 20 6.331 -4.884 -4.393 142 HA PHE 20 HA PHE 20 3.822 -3.877 -3.789 143 HB2 PHE 20 HB2 PHE 20 4.620 -4.305 -6.103 144 HB3 PHE 20 HB3 PHE 20 4.374 -6.030 -5.842 145 HD1 PHE 20 HD1 PHE 20 2.694 -2.778 -6.156 146 HD2 PHE 20 HD2 PHE 20 2.194 -6.998 -5.908 147 HE1 PHE 20 HE1 PHE 20 0.337 -2.536 -6.821 148 HE2 PHE 20 HE2 PHE 20 -0.161 -6.762 -6.578 149 HZ PHE 20 HZ PHE 20 -1.093 -4.528 -7.035 150 H ASP 21 H ASP 21 4.923 -7.249 -3.570 151 HA ASP 21 HA ASP 21 2.446 -8.417 -2.993 152 HB2 ASP 21 HB2 ASP 21 3.638 -10.312 -2.151 153 HB3 ASP 21 HB3 ASP 21 4.567 -9.680 -3.504 154 H GLN 22 H GLN 22 4.829 -6.915 -0.863 155 HA GLN 22 HA GLN 22 3.486 -7.448 1.565 156 HB2 GLN 22 HB2 GLN 22 5.852 -6.766 1.440 157 HB3 GLN 22 HB3 GLN 22 5.353 -5.167 0.897 158 HG2 GLN 22 HG2 GLN 22 5.865 -5.080 3.230 159 HG3 GLN 22 HG3 GLN 22 4.119 -4.878 3.015 160 HE21 GLN 22 HE21 GLN 22 2.738 -6.490 3.679 161 HE22 GLN 22 HE22 GLN 22 3.235 -7.782 4.718 162 H CYS 23 H CYS 23 3.353 -4.773 -0.738 163 HA CYS 23 HA CYS 23 1.615 -3.111 0.757 164 HB2 CYS 23 HB2 CYS 23 2.903 -2.397 -1.318 165 HB3 CYS 23 HB3 CYS 23 1.712 -3.286 -2.269 166 H TYR 24 H TYR 24 1.049 -5.693 -1.552 167 HA TYR 24 HA TYR 24 -1.749 -5.465 -1.683 168 HB2 TYR 24 HB2 TYR 24 -0.273 -6.787 -3.252 169 HB3 TYR 24 HB3 TYR 24 -0.134 -8.011 -1.979 170 HD1 TYR 24 HD1 TYR 24 -1.920 -9.527 -1.527 171 HD2 TYR 24 HD2 TYR 24 -2.437 -6.383 -4.341 172 HE1 TYR 24 HE1 TYR 24 -3.989 -10.580 -2.315 173 HE2 TYR 24 HE2 TYR 24 -4.512 -7.428 -5.139 174 HH TYR 24 HH TYR 24 -6.086 -9.908 -3.465 175 H GLN 25 H GLN 25 0.366 -6.930 0.691 176 HA GLN 25 HA GLN 25 -1.727 -8.575 1.807 177 HB2 GLN 25 HB2 GLN 25 1.095 -7.967 2.703 178 HB3 GLN 25 HB3 GLN 25 -0.011 -8.940 3.667 179 HG2 GLN 25 HG2 GLN 25 0.933 -9.585 0.863 180 HG3 GLN 25 HG3 GLN 25 1.449 -10.370 2.350 181 HE21 GLN 25 HE21 GLN 25 -1.254 -10.343 3.494 182 HE22 GLN 25 HE22 GLN 25 -2.135 -11.567 2.646 183 H MET 26 H MET 26 -0.437 -5.400 2.378 184 HA MET 26 HA MET 26 -1.878 -5.158 4.882 185 HB2 MET 26 HB2 MET 26 0.247 -4.096 4.889 186 HB3 MET 26 HB3 MET 26 -0.059 -3.322 3.344 187 HG2 MET 26 HG2 MET 26 -1.751 -1.890 4.388 188 HG3 MET 26 HG3 MET 26 -1.443 -2.666 5.942 189 HE1 MET 26 HE1 MET 26 1.393 -1.795 3.289 190 HE2 MET 26 HE2 MET 26 1.737 -0.127 3.736 191 HE3 MET 26 HE3 MET 26 0.173 -0.546 3.043 192 H CYS 27 H CYS 27 -1.984 -3.710 1.631 193 HA CYS 27 HA CYS 27 -4.193 -2.020 2.440 194 HB2 CYS 27 HB2 CYS 27 -2.914 -2.249 -0.299 195 HB3 CYS 27 HB3 CYS 27 -3.937 -0.934 0.310 196 H SER 28 H SER 28 -3.851 -5.021 0.645 197 HA SER 28 HA SER 28 -6.308 -4.750 -0.745 198 HB2 SER 28 HB2 SER 28 -4.627 -6.347 -1.544 199 HB3 SER 28 HB3 SER 28 -4.890 -7.341 -0.103 200 HG SER 28 HG SER 28 -6.670 -8.093 -0.943 201 HA PRO 29 HA PRO 29 -8.252 -7.377 2.925 202 HB2 PRO 29 HB2 PRO 29 -6.393 -6.433 5.057 203 HB3 PRO 29 HB3 PRO 29 -7.237 -7.989 4.905 204 HG2 PRO 29 HG2 PRO 29 -4.652 -7.867 4.355 205 HG3 PRO 29 HG3 PRO 29 -5.743 -8.792 3.288 206 HD2 PRO 29 HD2 PRO 29 -4.569 -6.048 2.878 207 HD3 PRO 29 HD3 PRO 29 -4.756 -7.382 1.715 208 H LEU 30 H LEU 30 -6.855 -4.232 2.939 209 HA LEU 30 HA LEU 30 -8.655 -2.970 4.757 210 HB2 LEU 30 HB2 LEU 30 -6.377 -2.113 3.918 211 HB3 LEU 30 HB3 LEU 30 -7.224 -1.671 2.426 212 HG LEU 30 HG LEU 30 -7.792 -0.541 5.188 213 HD11 LEU 30 HD11 LEU 30 -6.841 1.528 4.222 214 HD12 LEU 30 HD12 LEU 30 -6.386 0.615 2.783 215 HD13 LEU 30 HD13 LEU 30 -5.662 0.222 4.343 216 HD21 LEU 30 HD21 LEU 30 -9.783 -0.605 3.711 217 HD22 LEU 30 HD22 LEU 30 -8.886 0.325 2.509 218 HD23 LEU 30 HD23 LEU 30 -9.246 1.036 4.081 219 H GLU 31 H GLU 31 -8.444 -3.062 1.226 220 HA GLU 31 HA GLU 31 -11.043 -1.844 0.926 221 HB2 GLU 31 HB2 GLU 31 -8.967 -1.566 -0.608 222 HB3 GLU 31 HB3 GLU 31 -9.468 -3.114 -1.301 223 HG2 GLU 31 HG2 GLU 31 -11.220 -0.647 -1.199 224 HG3 GLU 31 HG3 GLU 31 -10.232 -1.125 -2.586 225 H ARG 32 H ARG 32 -9.614 -4.991 0.071 226 HA ARG 32 HA ARG 32 -12.319 -6.115 -0.007 227 HB2 ARG 32 HB2 ARG 32 -11.501 -5.439 -2.330 228 HB3 ARG 32 HB3 ARG 32 -10.229 -6.650 -2.134 229 HG2 ARG 32 HG2 ARG 32 -11.988 -7.607 -3.465 230 HG3 ARG 32 HG3 ARG 32 -11.980 -8.399 -1.889 231 HD2 ARG 32 HD2 ARG 32 -14.219 -7.597 -3.018 232 HD3 ARG 32 HD3 ARG 32 -13.999 -7.502 -1.275 233 HE ARG 32 HE ARG 32 -13.115 -5.092 -2.373 234 HH11 ARG 32 HH11 ARG 32 -16.111 -6.888 -2.133 235 HH12 ARG 32 HH12 ARG 32 -17.101 -5.465 -2.084 236 HH21 ARG 32 HH21 ARG 32 -14.401 -3.221 -2.292 237 HH22 ARG 32 HH22 ARG 32 -16.132 -3.377 -2.181 238 H SER 33 H SER 33 -11.949 -7.257 1.884 239 HA SER 33 HA SER 33 -9.697 -9.125 1.920 240 HB2 SER 33 HB2 SER 33 -10.639 -9.563 4.313 241 HB3 SER 33 HB3 SER 33 -9.815 -8.035 4.006 242 HG SER 33 HG SER 33 -12.531 -8.561 4.427 Start of MODEL 42 1 HA ALA 1 HA ALA 1 -14.566 -0.785 0.645 2 HB1 ALA 1 HB1 ALA 1 -17.216 0.635 0.863 3 HB2 ALA 1 HB2 ALA 1 -16.943 -0.930 0.099 4 HB3 ALA 1 HB3 ALA 1 -16.216 0.523 -0.585 5 H SER 2 H SER 2 -13.205 0.837 0.154 6 HA SER 2 HA SER 2 -13.501 3.511 1.146 7 HB2 SER 2 HB2 SER 2 -12.665 2.162 3.187 8 HB3 SER 2 HB3 SER 2 -11.149 1.990 2.301 9 HG SER 2 HG SER 2 -11.673 3.927 3.835 10 HA PRO 3 HA PRO 3 -11.110 2.491 -2.785 11 HB2 PRO 3 HB2 PRO 3 -12.513 4.982 -3.608 12 HB3 PRO 3 HB3 PRO 3 -12.291 3.457 -4.494 13 HG2 PRO 3 HG2 PRO 3 -14.645 4.069 -3.423 14 HG3 PRO 3 HG3 PRO 3 -14.023 2.404 -3.385 15 HD2 PRO 3 HD2 PRO 3 -14.128 4.424 -1.154 16 HD3 PRO 3 HD3 PRO 3 -14.373 2.650 -1.106 17 H GLN 4 H GLN 4 -11.573 5.679 -1.264 18 HA GLN 4 HA GLN 4 -9.298 6.811 -2.577 19 HB2 GLN 4 HB2 GLN 4 -10.916 7.809 -0.231 20 HB3 GLN 4 HB3 GLN 4 -9.608 8.713 -0.981 21 HG2 GLN 4 HG2 GLN 4 -12.164 7.849 -2.337 22 HG3 GLN 4 HG3 GLN 4 -11.775 9.479 -1.794 23 HE21 GLN 4 HE21 GLN 4 -8.974 9.256 -2.659 24 HE22 GLN 4 HE22 GLN 4 -9.006 9.392 -4.385 25 H GLN 5 H GLN 5 -9.916 5.575 0.666 26 HA GLN 5 HA GLN 5 -7.345 6.184 1.678 27 HB2 GLN 5 HB2 GLN 5 -9.358 4.128 2.583 28 HB3 GLN 5 HB3 GLN 5 -7.880 4.505 3.455 29 HG2 GLN 5 HG2 GLN 5 -10.135 6.434 2.898 30 HG3 GLN 5 HG3 GLN 5 -9.817 5.632 4.432 31 HE21 GLN 5 HE21 GLN 5 -6.898 5.933 4.116 32 HE22 GLN 5 HE22 GLN 5 -6.573 7.600 4.451 33 H ALA 6 H ALA 6 -8.698 3.452 -0.024 34 HA ALA 6 HA ALA 6 -6.526 1.680 0.257 35 HB1 ALA 6 HB1 ALA 6 -8.466 1.899 -2.038 36 HB2 ALA 6 HB2 ALA 6 -8.706 0.947 -0.573 37 HB3 ALA 6 HB3 ALA 6 -7.412 0.530 -1.699 38 H LYS 7 H LYS 7 -7.208 4.235 -2.074 39 HA LYS 7 HA LYS 7 -5.011 3.693 -3.771 40 HB2 LYS 7 HB2 LYS 7 -6.942 5.089 -4.454 41 HB3 LYS 7 HB3 LYS 7 -6.442 6.325 -3.309 42 HG2 LYS 7 HG2 LYS 7 -5.802 6.863 -5.613 43 HG3 LYS 7 HG3 LYS 7 -4.394 6.707 -4.533 44 HD2 LYS 7 HD2 LYS 7 -4.043 4.401 -5.362 45 HD3 LYS 7 HD3 LYS 7 -5.415 4.588 -6.459 46 HE2 LYS 7 HE2 LYS 7 -3.215 4.934 -7.576 47 HE3 LYS 7 HE3 LYS 7 -4.264 6.347 -7.657 48 HZ1 LYS 7 HZ1 LYS 7 -1.946 6.881 -7.100 49 HZ2 LYS 7 HZ2 LYS 7 -2.090 5.989 -5.672 50 HZ3 LYS 7 HZ3 LYS 7 -3.030 7.379 -5.901 51 H TYR 8 H TYR 8 -5.401 5.610 -0.863 52 HA TYR 8 HA TYR 8 -2.840 6.814 -0.870 53 HB2 TYR 8 HB2 TYR 8 -4.715 7.599 0.556 54 HB3 TYR 8 HB3 TYR 8 -4.607 6.106 1.488 55 HD1 TYR 8 HD1 TYR 8 -2.947 5.809 3.166 56 HD2 TYR 8 HD2 TYR 8 -2.895 9.268 0.699 57 HE1 TYR 8 HE1 TYR 8 -1.306 6.841 4.670 58 HE2 TYR 8 HE2 TYR 8 -1.255 10.322 2.197 59 HH TYR 8 HH TYR 8 -0.466 10.163 4.478 60 H CYS 9 H CYS 9 -4.094 3.803 0.486 61 HA CYS 9 HA CYS 9 -1.803 3.006 1.897 62 HB2 CYS 9 HB2 CYS 9 -4.089 1.969 2.095 63 HB3 CYS 9 HB3 CYS 9 -3.806 1.164 0.545 64 H TYR 10 H TYR 10 -2.849 2.155 -1.403 65 HA TYR 10 HA TYR 10 -0.526 0.609 -1.958 66 HB2 TYR 10 HB2 TYR 10 -2.716 1.758 -3.692 67 HB3 TYR 10 HB3 TYR 10 -1.325 0.927 -4.392 68 HD1 TYR 10 HD1 TYR 10 -0.888 -1.446 -3.747 69 HD2 TYR 10 HD2 TYR 10 -4.533 0.527 -2.792 70 HE1 TYR 10 HE1 TYR 10 -1.969 -3.618 -3.428 71 HE2 TYR 10 HE2 TYR 10 -5.626 -1.647 -2.463 72 HH TYR 10 HH TYR 10 -5.366 -3.969 -3.083 73 H GLU 11 H GLU 11 -1.217 4.007 -2.186 74 HA GLU 11 HA GLU 11 0.926 4.536 -4.007 75 HB2 GLU 11 HB2 GLU 11 -1.096 6.000 -3.826 76 HB3 GLU 11 HB3 GLU 11 -0.531 6.511 -2.221 77 HG2 GLU 11 HG2 GLU 11 1.505 7.418 -3.248 78 HG3 GLU 11 HG3 GLU 11 0.896 6.938 -4.848 79 H GLN 12 H GLN 12 0.475 4.925 -0.482 80 HA GLN 12 HA GLN 12 3.096 6.084 -0.242 81 HB2 GLN 12 HB2 GLN 12 1.055 5.332 1.855 82 HB3 GLN 12 HB3 GLN 12 2.551 6.196 2.175 83 HG2 GLN 12 HG2 GLN 12 0.668 7.252 0.137 84 HG3 GLN 12 HG3 GLN 12 0.315 7.478 1.843 85 HE21 GLN 12 HE21 GLN 12 3.595 7.373 0.716 86 HE22 GLN 12 HE22 GLN 12 3.928 9.059 0.926 87 H CYS 13 H CYS 13 1.780 2.898 -0.015 88 HA CYS 13 HA CYS 13 3.432 1.779 1.934 89 HB2 CYS 13 HB2 CYS 13 2.926 -0.394 0.892 90 HB3 CYS 13 HB3 CYS 13 1.473 0.609 0.982 91 H ASN 14 H ASN 14 3.971 1.818 -1.604 92 HA ASN 14 HA ASN 14 6.619 0.767 -1.342 93 HB2 ASN 14 HB2 ASN 14 6.856 1.252 -3.736 94 HB3 ASN 14 HB3 ASN 14 5.323 0.462 -3.406 95 HD21 ASN 14 HD21 ASN 14 6.852 3.453 -4.425 96 HD22 ASN 14 HD22 ASN 14 5.389 4.226 -4.944 97 H VAL 15 H VAL 15 5.274 3.981 -1.335 98 HA VAL 15 HA VAL 15 7.666 5.402 -1.829 99 HB VAL 15 HB VAL 15 5.170 6.245 -0.348 100 HG11 VAL 15 HG11 VAL 15 6.002 8.554 -0.561 101 HG12 VAL 15 HG12 VAL 15 7.522 7.937 -1.206 102 HG13 VAL 15 HG13 VAL 15 7.056 7.569 0.455 103 HG21 VAL 15 HG21 VAL 15 4.720 7.538 -2.387 104 HG22 VAL 15 HG22 VAL 15 4.848 5.813 -2.731 105 HG23 VAL 15 HG23 VAL 15 6.189 6.891 -3.118 106 H ASN 16 H ASN 16 6.107 4.275 1.162 107 HA ASN 16 HA ASN 16 8.067 5.353 2.915 108 HB2 ASN 16 HB2 ASN 16 6.348 2.870 3.294 109 HB3 ASN 16 HB3 ASN 16 7.210 3.740 4.565 110 HD21 ASN 16 HD21 ASN 16 6.558 6.372 3.559 111 HD22 ASN 16 HD22 ASN 16 4.875 6.613 3.889 112 H LYS 17 H LYS 17 7.590 1.869 2.485 113 HA LYS 17 HA LYS 17 9.656 1.319 0.773 114 HB2 LYS 17 HB2 LYS 17 10.733 1.947 3.302 115 HB3 LYS 17 HB3 LYS 17 10.825 0.185 3.145 116 HG2 LYS 17 HG2 LYS 17 11.976 0.475 0.972 117 HG3 LYS 17 HG3 LYS 17 11.946 2.228 1.217 118 HD2 LYS 17 HD2 LYS 17 13.179 1.805 3.413 119 HD3 LYS 17 HD3 LYS 17 13.391 0.134 2.845 120 HE2 LYS 17 HE2 LYS 17 15.363 1.430 2.303 121 HE3 LYS 17 HE3 LYS 17 14.515 0.988 0.822 122 HZ1 LYS 17 HZ1 LYS 17 13.576 3.195 0.720 123 HZ2 LYS 17 HZ2 LYS 17 15.258 3.302 0.815 124 HZ3 LYS 17 HZ3 LYS 17 14.316 3.623 2.178 125 H VAL 18 H VAL 18 7.802 -0.090 0.178 126 HA VAL 18 HA VAL 18 8.191 -2.666 1.489 127 HB VAL 18 HB VAL 18 6.012 -3.169 2.023 128 HG11 VAL 18 HG11 VAL 18 6.689 -1.295 3.448 129 HG12 VAL 18 HG12 VAL 18 4.942 -1.357 3.212 130 HG13 VAL 18 HG13 VAL 18 5.909 -0.168 2.335 131 HG21 VAL 18 HG21 VAL 18 5.102 -2.834 -0.183 132 HG22 VAL 18 HG22 VAL 18 5.035 -1.086 0.076 133 HG23 VAL 18 HG23 VAL 18 4.016 -2.163 1.039 134 HA PRO 19 HA PRO 19 8.038 -4.064 -2.783 135 HB2 PRO 19 HB2 PRO 19 7.222 -6.654 -1.634 136 HB3 PRO 19 HB3 PRO 19 8.647 -6.263 -2.612 137 HG2 PRO 19 HG2 PRO 19 8.856 -6.820 0.008 138 HG3 PRO 19 HG3 PRO 19 9.903 -5.633 -0.793 139 HD2 PRO 19 HD2 PRO 19 7.513 -5.159 0.959 140 HD3 PRO 19 HD3 PRO 19 9.058 -4.279 0.868 141 H PHE 20 H PHE 20 6.383 -4.719 -4.315 142 HA PHE 20 HA PHE 20 3.837 -3.740 -3.740 143 HB2 PHE 20 HB2 PHE 20 4.738 -4.033 -6.045 144 HB3 PHE 20 HB3 PHE 20 4.484 -5.767 -5.890 145 HD1 PHE 20 HD1 PHE 20 2.273 -6.721 -6.007 146 HD2 PHE 20 HD2 PHE 20 2.847 -2.509 -6.203 147 HE1 PHE 20 HE1 PHE 20 -0.044 -6.445 -6.782 148 HE2 PHE 20 HE2 PHE 20 0.527 -2.227 -6.979 149 HZ PHE 20 HZ PHE 20 -0.920 -4.197 -7.267 150 H ASP 21 H ASP 21 4.988 -7.090 -3.730 151 HA ASP 21 HA ASP 21 2.526 -8.340 -3.268 152 HB2 ASP 21 HB2 ASP 21 3.879 -10.229 -2.380 153 HB3 ASP 21 HB3 ASP 21 4.458 -9.642 -3.935 154 H GLN 22 H GLN 22 4.838 -6.893 -1.029 155 HA GLN 22 HA GLN 22 3.443 -7.656 1.330 156 HB2 GLN 22 HB2 GLN 22 5.809 -6.989 1.372 157 HB3 GLN 22 HB3 GLN 22 5.353 -5.353 0.895 158 HG2 GLN 22 HG2 GLN 22 5.710 -5.351 3.238 159 HG3 GLN 22 HG3 GLN 22 3.966 -5.219 2.961 160 HE21 GLN 22 HE21 GLN 22 6.537 -7.176 4.181 161 HE22 GLN 22 HE22 GLN 22 5.541 -8.379 4.930 162 H CYS 23 H CYS 23 3.396 -4.817 -0.779 163 HA CYS 23 HA CYS 23 1.685 -3.207 0.771 164 HB2 CYS 23 HB2 CYS 23 2.940 -2.432 -1.292 165 HB3 CYS 23 HB3 CYS 23 1.740 -3.289 -2.262 166 H TYR 24 H TYR 24 1.002 -5.656 -1.669 167 HA TYR 24 HA TYR 24 -1.780 -5.435 -1.727 168 HB2 TYR 24 HB2 TYR 24 -0.339 -6.821 -3.284 169 HB3 TYR 24 HB3 TYR 24 -0.210 -8.018 -1.984 170 HD1 TYR 24 HD1 TYR 24 -2.259 -9.217 -1.221 171 HD2 TYR 24 HD2 TYR 24 -2.277 -6.683 -4.630 172 HE1 TYR 24 HE1 TYR 24 -4.345 -10.262 -1.971 173 HE2 TYR 24 HE2 TYR 24 -4.367 -7.719 -5.394 174 HH TYR 24 HH TYR 24 -5.593 -9.826 -5.105 175 H GLN 25 H GLN 25 0.339 -7.005 0.597 176 HA GLN 25 HA GLN 25 -1.760 -8.606 1.726 177 HB2 GLN 25 HB2 GLN 25 1.094 -8.072 2.508 178 HB3 GLN 25 HB3 GLN 25 0.006 -8.915 3.604 179 HG2 GLN 25 HG2 GLN 25 0.709 -9.798 0.794 180 HG3 GLN 25 HG3 GLN 25 1.299 -10.509 2.296 181 HE21 GLN 25 HE21 GLN 25 -0.104 -11.733 3.563 182 HE22 GLN 25 HE22 GLN 25 -1.590 -12.364 2.938 183 H MET 26 H MET 26 -0.370 -5.474 2.430 184 HA MET 26 HA MET 26 -1.739 -5.287 4.959 185 HB2 MET 26 HB2 MET 26 0.346 -4.127 4.820 186 HB3 MET 26 HB3 MET 26 -0.129 -3.328 3.330 187 HG2 MET 26 HG2 MET 26 -1.827 -2.049 4.569 188 HG3 MET 26 HG3 MET 26 -1.304 -2.827 6.063 189 HE1 MET 26 HE1 MET 26 -0.090 -0.618 3.036 190 HE2 MET 26 HE2 MET 26 1.248 -1.751 3.212 191 HE3 MET 26 HE3 MET 26 1.475 -0.054 3.616 192 H CYS 27 H CYS 27 -2.144 -3.920 1.703 193 HA CYS 27 HA CYS 27 -4.344 -2.281 2.586 194 HB2 CYS 27 HB2 CYS 27 -3.452 -2.775 -0.269 195 HB3 CYS 27 HB3 CYS 27 -4.409 -1.417 0.351 196 H SER 28 H SER 28 -4.114 -5.510 1.362 197 HA SER 28 HA SER 28 -6.530 -5.627 -0.036 198 HB2 SER 28 HB2 SER 28 -6.429 -8.149 0.528 199 HB3 SER 28 HB3 SER 28 -5.147 -7.440 -0.463 200 HG SER 28 HG SER 28 -3.757 -7.616 1.164 201 HA PRO 29 HA PRO 29 -8.763 -7.111 4.070 202 HB2 PRO 29 HB2 PRO 29 -7.097 -5.625 6.038 203 HB3 PRO 29 HB3 PRO 29 -7.894 -7.204 6.200 204 HG2 PRO 29 HG2 PRO 29 -5.267 -7.095 5.860 205 HG3 PRO 29 HG3 PRO 29 -6.233 -8.318 4.992 206 HD2 PRO 29 HD2 PRO 29 -5.097 -5.721 3.967 207 HD3 PRO 29 HD3 PRO 29 -5.142 -7.322 3.184 208 H LEU 30 H LEU 30 -7.354 -4.087 3.334 209 HA LEU 30 HA LEU 30 -9.388 -2.495 4.641 210 HB2 LEU 30 HB2 LEU 30 -7.247 -1.483 4.655 211 HB3 LEU 30 HB3 LEU 30 -6.975 -1.872 2.947 212 HG LEU 30 HG LEU 30 -8.660 -0.214 2.289 213 HD11 LEU 30 HD11 LEU 30 -10.086 -0.285 4.257 214 HD12 LEU 30 HD12 LEU 30 -9.559 1.362 3.917 215 HD13 LEU 30 HD13 LEU 30 -8.811 0.453 5.227 216 HD21 LEU 30 HD21 LEU 30 -7.367 1.783 2.876 217 HD22 LEU 30 HD22 LEU 30 -6.316 0.437 2.428 218 HD23 LEU 30 HD23 LEU 30 -6.524 0.870 4.127 219 H GLU 31 H GLU 31 -8.292 -3.044 1.314 220 HA GLU 31 HA GLU 31 -10.487 -1.598 0.198 221 HB2 GLU 31 HB2 GLU 31 -8.194 -1.836 -0.828 222 HB3 GLU 31 HB3 GLU 31 -8.623 -3.503 -1.235 223 HG2 GLU 31 HG2 GLU 31 -10.389 -1.276 -2.178 224 HG3 GLU 31 HG3 GLU 31 -8.859 -1.587 -3.008 225 H ARG 32 H ARG 32 -9.815 -4.994 0.807 226 HA ARG 32 HA ARG 32 -12.463 -5.652 -0.320 227 HB2 ARG 32 HB2 ARG 32 -10.173 -7.569 0.240 228 HB3 ARG 32 HB3 ARG 32 -11.717 -7.984 -0.502 229 HG2 ARG 32 HG2 ARG 32 -9.522 -6.268 -1.697 230 HG3 ARG 32 HG3 ARG 32 -10.002 -7.881 -2.210 231 HD2 ARG 32 HD2 ARG 32 -11.349 -5.258 -2.654 232 HD3 ARG 32 HD3 ARG 32 -11.020 -6.562 -3.784 233 HE ARG 32 HE ARG 32 -12.825 -7.810 -2.506 234 HH11 ARG 32 HH11 ARG 32 -12.763 -4.315 -2.831 235 HH12 ARG 32 HH12 ARG 32 -14.492 -4.161 -2.726 236 HH21 ARG 32 HH21 ARG 32 -15.101 -7.587 -2.367 237 HH22 ARG 32 HH22 ARG 32 -15.818 -6.007 -2.450 238 H SER 33 H SER 33 -13.112 -4.649 1.818 239 HA SER 33 HA SER 33 -12.882 -6.556 4.031 240 HB2 SER 33 HB2 SER 33 -14.029 -4.727 5.351 241 HB3 SER 33 HB3 SER 33 -12.470 -4.255 4.671 242 HG SER 33 HG SER 33 -14.725 -3.786 3.106 Start of MODEL 43 1 HA ALA 1 HA ALA 1 -16.445 2.366 0.076 2 HB1 ALA 1 HB1 ALA 1 -18.872 2.682 0.088 3 HB2 ALA 1 HB2 ALA 1 -18.081 3.777 -1.043 4 HB3 ALA 1 HB3 ALA 1 -18.647 4.378 0.514 5 H SER 2 H SER 2 -14.426 3.177 -0.035 6 HA SER 2 HA SER 2 -14.096 6.009 -0.403 7 HB2 SER 2 HB2 SER 2 -14.041 5.815 2.113 8 HB3 SER 2 HB3 SER 2 -12.653 4.741 1.951 9 HG SER 2 HG SER 2 -12.569 7.319 2.125 10 HA PRO 3 HA PRO 3 -11.155 3.314 -2.821 11 HB2 PRO 3 HB2 PRO 3 -11.667 5.549 -4.717 12 HB3 PRO 3 HB3 PRO 3 -11.590 3.800 -5.023 13 HG2 PRO 3 HG2 PRO 3 -13.929 5.070 -5.008 14 HG3 PRO 3 HG3 PRO 3 -13.761 3.442 -4.316 15 HD2 PRO 3 HD2 PRO 3 -13.960 6.084 -2.881 16 HD3 PRO 3 HD3 PRO 3 -14.651 4.491 -2.442 17 H GLN 4 H GLN 4 -11.441 6.605 -1.862 18 HA GLN 4 HA GLN 4 -8.937 7.632 -2.531 19 HB2 GLN 4 HB2 GLN 4 -10.777 9.037 -1.793 20 HB3 GLN 4 HB3 GLN 4 -10.791 8.247 -0.225 21 HG2 GLN 4 HG2 GLN 4 -8.508 9.144 0.183 22 HG3 GLN 4 HG3 GLN 4 -8.633 10.041 -1.331 23 HE21 GLN 4 HE21 GLN 4 -11.341 9.506 0.808 24 HE22 GLN 4 HE22 GLN 4 -11.513 11.149 1.318 25 H GLN 5 H GLN 5 -10.037 5.838 0.312 26 HA GLN 5 HA GLN 5 -7.608 6.049 1.759 27 HB2 GLN 5 HB2 GLN 5 -9.890 4.083 1.943 28 HB3 GLN 5 HB3 GLN 5 -8.479 3.979 2.980 29 HG2 GLN 5 HG2 GLN 5 -8.961 6.222 3.851 30 HG3 GLN 5 HG3 GLN 5 -10.400 6.301 2.833 31 HE21 GLN 5 HE21 GLN 5 -10.171 6.380 5.784 32 HE22 GLN 5 HE22 GLN 5 -11.150 5.071 6.355 33 H ALA 6 H ALA 6 -8.927 3.547 -0.345 34 HA ALA 6 HA ALA 6 -6.781 1.759 -0.175 35 HB1 ALA 6 HB1 ALA 6 -8.667 2.217 -2.479 36 HB2 ALA 6 HB2 ALA 6 -8.901 1.086 -1.144 37 HB3 ALA 6 HB3 ALA 6 -7.593 0.835 -2.303 38 H LYS 7 H LYS 7 -7.362 4.531 -2.262 39 HA LYS 7 HA LYS 7 -5.123 4.183 -3.940 40 HB2 LYS 7 HB2 LYS 7 -6.944 5.673 -4.576 41 HB3 LYS 7 HB3 LYS 7 -6.634 6.699 -3.184 42 HG2 LYS 7 HG2 LYS 7 -5.755 7.758 -5.139 43 HG3 LYS 7 HG3 LYS 7 -4.402 7.231 -4.104 44 HD2 LYS 7 HD2 LYS 7 -4.384 5.102 -5.563 45 HD3 LYS 7 HD3 LYS 7 -5.374 6.023 -6.702 46 HE2 LYS 7 HE2 LYS 7 -3.026 6.197 -7.325 47 HE3 LYS 7 HE3 LYS 7 -3.611 7.763 -6.763 48 HZ1 LYS 7 HZ1 LYS 7 -2.574 7.385 -4.643 49 HZ2 LYS 7 HZ2 LYS 7 -1.417 7.182 -5.861 50 HZ3 LYS 7 HZ3 LYS 7 -2.094 5.831 -5.101 51 H TYR 8 H TYR 8 -5.540 5.910 -0.879 52 HA TYR 8 HA TYR 8 -2.951 7.062 -0.827 53 HB2 TYR 8 HB2 TYR 8 -4.884 7.835 0.568 54 HB3 TYR 8 HB3 TYR 8 -4.715 6.368 1.532 55 HD1 TYR 8 HD1 TYR 8 -2.986 9.486 0.545 56 HD2 TYR 8 HD2 TYR 8 -3.137 6.235 3.283 57 HE1 TYR 8 HE1 TYR 8 -1.348 10.627 1.980 58 HE2 TYR 8 HE2 TYR 8 -1.497 7.364 4.726 59 HH TYR 8 HH TYR 8 0.288 9.079 4.503 60 H CYS 9 H CYS 9 -4.310 4.077 0.396 61 HA CYS 9 HA CYS 9 -2.171 3.183 1.955 62 HB2 CYS 9 HB2 CYS 9 -4.358 2.158 2.092 63 HB3 CYS 9 HB3 CYS 9 -4.267 1.636 0.408 64 H TYR 10 H TYR 10 -2.939 2.285 -1.425 65 HA TYR 10 HA TYR 10 -0.542 0.773 -1.727 66 HB2 TYR 10 HB2 TYR 10 -2.528 1.833 -3.753 67 HB3 TYR 10 HB3 TYR 10 -1.143 0.825 -4.181 68 HD1 TYR 10 HD1 TYR 10 -4.536 0.856 -3.017 69 HD2 TYR 10 HD2 TYR 10 -0.982 -1.476 -3.133 70 HE1 TYR 10 HE1 TYR 10 -5.846 -1.165 -2.570 71 HE2 TYR 10 HE2 TYR 10 -2.284 -3.497 -2.690 72 HH TYR 10 HH TYR 10 -5.672 -3.590 -2.925 73 H GLU 11 H GLU 11 -1.343 4.114 -2.170 74 HA GLU 11 HA GLU 11 0.817 4.856 -3.820 75 HB2 GLU 11 HB2 GLU 11 -1.157 6.315 -3.333 76 HB3 GLU 11 HB3 GLU 11 -0.536 6.508 -1.680 77 HG2 GLU 11 HG2 GLU 11 -0.018 8.423 -3.123 78 HG3 GLU 11 HG3 GLU 11 1.430 7.615 -2.481 79 H GLN 12 H GLN 12 0.423 5.185 -0.288 80 HA GLN 12 HA GLN 12 3.114 6.089 -0.030 81 HB2 GLN 12 HB2 GLN 12 1.051 5.374 2.058 82 HB3 GLN 12 HB3 GLN 12 2.604 6.109 2.411 83 HG2 GLN 12 HG2 GLN 12 0.790 7.412 0.456 84 HG3 GLN 12 HG3 GLN 12 0.460 7.556 2.176 85 HE21 GLN 12 HE21 GLN 12 3.712 7.326 0.920 86 HE22 GLN 12 HE22 GLN 12 4.158 8.960 1.274 87 H CYS 13 H CYS 13 1.637 2.944 0.147 88 HA CYS 13 HA CYS 13 3.296 1.765 2.066 89 HB2 CYS 13 HB2 CYS 13 2.636 -0.398 1.131 90 HB3 CYS 13 HB3 CYS 13 1.238 0.681 1.192 91 H ASN 14 H ASN 14 3.714 1.551 -1.505 92 HA ASN 14 HA ASN 14 6.352 0.514 -1.178 93 HB2 ASN 14 HB2 ASN 14 6.616 0.636 -3.562 94 HB3 ASN 14 HB3 ASN 14 5.000 0.051 -3.217 95 HD21 ASN 14 HD21 ASN 14 3.876 2.680 -2.645 96 HD22 ASN 14 HD22 ASN 14 3.798 3.512 -4.155 97 H VAL 15 H VAL 15 5.093 3.749 -1.429 98 HA VAL 15 HA VAL 15 7.515 5.049 -2.063 99 HB VAL 15 HB VAL 15 5.078 6.085 -0.603 100 HG11 VAL 15 HG11 VAL 15 7.441 7.644 -1.663 101 HG12 VAL 15 HG12 VAL 15 7.040 7.403 0.036 102 HG13 VAL 15 HG13 VAL 15 5.962 8.338 -1.000 103 HG21 VAL 15 HG21 VAL 15 4.600 7.215 -2.720 104 HG22 VAL 15 HG22 VAL 15 4.702 5.470 -2.946 105 HG23 VAL 15 HG23 VAL 15 6.045 6.501 -3.435 106 H ASN 16 H ASN 16 6.055 4.079 1.030 107 HA ASN 16 HA ASN 16 8.031 5.285 2.671 108 HB2 ASN 16 HB2 ASN 16 6.378 2.789 3.212 109 HB3 ASN 16 HB3 ASN 16 7.314 3.682 4.415 110 HD21 ASN 16 HD21 ASN 16 6.549 6.271 3.200 111 HD22 ASN 16 HD22 ASN 16 4.912 6.533 3.707 112 H LYS 17 H LYS 17 7.690 1.771 2.364 113 HA LYS 17 HA LYS 17 9.748 1.297 0.612 114 HB2 LYS 17 HB2 LYS 17 11.501 0.322 2.116 115 HB3 LYS 17 HB3 LYS 17 11.379 2.086 2.166 116 HG2 LYS 17 HG2 LYS 17 10.124 1.937 4.255 117 HG3 LYS 17 HG3 LYS 17 10.223 0.174 4.195 118 HD2 LYS 17 HD2 LYS 17 12.743 0.409 4.173 119 HD3 LYS 17 HD3 LYS 17 12.497 2.145 4.472 120 HE2 LYS 17 HE2 LYS 17 12.931 0.991 6.562 121 HE3 LYS 17 HE3 LYS 17 11.282 1.608 6.536 122 HZ1 LYS 17 HZ1 LYS 17 11.387 -0.639 7.414 123 HZ2 LYS 17 HZ2 LYS 17 12.072 -1.198 5.973 124 HZ3 LYS 17 HZ3 LYS 17 10.492 -0.600 5.981 125 H VAL 18 H VAL 18 7.963 -0.151 0.015 126 HA VAL 18 HA VAL 18 8.360 -2.739 1.291 127 HB VAL 18 HB VAL 18 6.173 -3.258 1.843 128 HG11 VAL 18 HG11 VAL 18 6.227 -0.287 2.361 129 HG12 VAL 18 HG12 VAL 18 6.934 -1.539 3.383 130 HG13 VAL 18 HG13 VAL 18 5.187 -1.464 3.163 131 HG21 VAL 18 HG21 VAL 18 5.185 -1.020 0.085 132 HG22 VAL 18 HG22 VAL 18 4.172 -2.137 1.006 133 HG23 VAL 18 HG23 VAL 18 5.195 -2.744 -0.302 134 HA PRO 19 HA PRO 19 7.911 -4.077 -2.996 135 HB2 PRO 19 HB2 PRO 19 7.176 -6.680 -1.827 136 HB3 PRO 19 HB3 PRO 19 8.534 -6.277 -2.894 137 HG2 PRO 19 HG2 PRO 19 8.907 -6.878 -0.297 138 HG3 PRO 19 HG3 PRO 19 9.915 -5.695 -1.152 139 HD2 PRO 19 HD2 PRO 19 7.653 -5.210 0.760 140 HD3 PRO 19 HD3 PRO 19 9.200 -4.349 0.576 141 H PHE 20 H PHE 20 6.125 -4.747 -4.377 142 HA PHE 20 HA PHE 20 3.651 -3.738 -3.562 143 HB2 PHE 20 HB2 PHE 20 4.369 -4.011 -5.951 144 HB3 PHE 20 HB3 PHE 20 4.050 -5.736 -5.797 145 HD1 PHE 20 HD1 PHE 20 1.819 -6.593 -5.818 146 HD2 PHE 20 HD2 PHE 20 2.531 -2.396 -5.823 147 HE1 PHE 20 HE1 PHE 20 -0.545 -6.193 -6.380 148 HE2 PHE 20 HE2 PHE 20 0.169 -1.990 -6.382 149 HZ PHE 20 HZ PHE 20 -1.372 -3.892 -6.659 150 H ASP 21 H ASP 21 4.820 -7.079 -3.617 151 HA ASP 21 HA ASP 21 2.427 -8.360 -2.959 152 HB2 ASP 21 HB2 ASP 21 3.877 -10.160 -1.985 153 HB3 ASP 21 HB3 ASP 21 4.311 -9.696 -3.626 154 H GLN 22 H GLN 22 4.929 -7.020 -0.820 155 HA GLN 22 HA GLN 22 3.698 -7.578 1.632 156 HB2 GLN 22 HB2 GLN 22 6.007 -6.821 1.483 157 HB3 GLN 22 HB3 GLN 22 5.486 -5.269 0.833 158 HG2 GLN 22 HG2 GLN 22 5.987 -4.871 3.078 159 HG3 GLN 22 HG3 GLN 22 4.222 -4.945 2.999 160 HE21 GLN 22 HE21 GLN 22 6.059 -5.365 5.249 161 HE22 GLN 22 HE22 GLN 22 5.714 -6.954 5.845 162 H CYS 23 H CYS 23 3.338 -4.860 -0.600 163 HA CYS 23 HA CYS 23 1.646 -3.291 1.038 164 HB2 CYS 23 HB2 CYS 23 2.782 -2.465 -1.073 165 HB3 CYS 23 HB3 CYS 23 1.584 -3.377 -1.995 166 H TYR 24 H TYR 24 0.920 -5.744 -1.430 167 HA TYR 24 HA TYR 24 -1.881 -5.568 -1.192 168 HB2 TYR 24 HB2 TYR 24 -0.739 -6.701 -3.089 169 HB3 TYR 24 HB3 TYR 24 -0.243 -7.996 -1.987 170 HD1 TYR 24 HD1 TYR 24 -3.142 -6.396 -3.617 171 HD2 TYR 24 HD2 TYR 24 -1.763 -9.715 -1.348 172 HE1 TYR 24 HE1 TYR 24 -5.257 -7.563 -4.047 173 HE2 TYR 24 HE2 TYR 24 -3.873 -10.892 -1.773 174 HH TYR 24 HH TYR 24 -6.099 -9.887 -4.119 175 H GLN 25 H GLN 25 0.527 -7.321 0.678 176 HA GLN 25 HA GLN 25 -1.278 -9.169 1.853 177 HB2 GLN 25 HB2 GLN 25 1.425 -8.160 2.774 178 HB3 GLN 25 HB3 GLN 25 0.516 -9.367 3.666 179 HG2 GLN 25 HG2 GLN 25 0.581 -10.834 1.641 180 HG3 GLN 25 HG3 GLN 25 1.627 -9.649 0.865 181 HE21 GLN 25 HE21 GLN 25 2.136 -12.423 1.570 182 HE22 GLN 25 HE22 GLN 25 3.526 -12.401 2.604 183 H MET 26 H MET 26 -0.166 -5.966 2.835 184 HA MET 26 HA MET 26 -1.776 -6.095 5.251 185 HB2 MET 26 HB2 MET 26 -0.089 -3.880 4.091 186 HB3 MET 26 HB3 MET 26 -0.928 -3.776 5.628 187 HG2 MET 26 HG2 MET 26 0.443 -5.605 6.509 188 HG3 MET 26 HG3 MET 26 1.272 -5.740 4.957 189 HE1 MET 26 HE1 MET 26 2.763 -3.697 3.932 190 HE2 MET 26 HE2 MET 26 3.073 -2.205 4.814 191 HE3 MET 26 HE3 MET 26 1.453 -2.551 4.216 192 H CYS 27 H CYS 27 -1.955 -4.657 2.055 193 HA CYS 27 HA CYS 27 -4.099 -2.876 2.889 194 HB2 CYS 27 HB2 CYS 27 -2.199 -2.401 1.099 195 HB3 CYS 27 HB3 CYS 27 -3.358 -3.187 0.002 196 H SER 28 H SER 28 -3.924 -6.063 1.681 197 HA SER 28 HA SER 28 -6.182 -6.139 0.062 198 HB2 SER 28 HB2 SER 28 -6.284 -8.622 0.822 199 HB3 SER 28 HB3 SER 28 -4.887 -8.051 -0.101 200 HG SER 28 HG SER 28 -3.644 -8.246 1.609 201 HA PRO 29 HA PRO 29 -8.857 -7.151 4.096 202 HB2 PRO 29 HB2 PRO 29 -7.298 -5.345 5.892 203 HB3 PRO 29 HB3 PRO 29 -8.216 -6.812 6.293 204 HG2 PRO 29 HG2 PRO 29 -5.575 -6.932 6.179 205 HG3 PRO 29 HG3 PRO 29 -6.555 -8.239 5.460 206 HD2 PRO 29 HD2 PRO 29 -5.118 -5.972 4.094 207 HD3 PRO 29 HD3 PRO 29 -5.276 -7.676 3.597 208 H LEU 30 H LEU 30 -7.343 -4.251 3.012 209 HA LEU 30 HA LEU 30 -9.563 -2.542 3.807 210 HB2 LEU 30 HB2 LEU 30 -7.018 -1.938 3.806 211 HB3 LEU 30 HB3 LEU 30 -7.248 -1.720 2.062 212 HG LEU 30 HG LEU 30 -8.569 -0.143 4.296 213 HD11 LEU 30 HD11 LEU 30 -7.340 1.732 3.279 214 HD12 LEU 30 HD12 LEU 30 -6.578 0.604 2.157 215 HD13 LEU 30 HD13 LEU 30 -6.266 0.473 3.888 216 HD21 LEU 30 HD21 LEU 30 -9.648 1.193 2.594 217 HD22 LEU 30 HD22 LEU 30 -10.133 -0.494 2.403 218 HD23 LEU 30 HD23 LEU 30 -8.934 0.208 1.317 219 H GLU 31 H GLU 31 -7.824 -3.204 0.767 220 HA GLU 31 HA GLU 31 -10.004 -2.082 -0.746 221 HB2 GLU 31 HB2 GLU 31 -7.615 -1.712 -1.368 222 HB3 GLU 31 HB3 GLU 31 -7.495 -3.430 -1.769 223 HG2 GLU 31 HG2 GLU 31 -9.331 -3.076 -3.436 224 HG3 GLU 31 HG3 GLU 31 -9.188 -1.342 -3.138 225 H ARG 32 H ARG 32 -8.415 -5.289 -0.775 226 HA ARG 32 HA ARG 32 -10.955 -6.431 -1.708 227 HB2 ARG 32 HB2 ARG 32 -8.240 -6.892 -2.980 228 HB3 ARG 32 HB3 ARG 32 -9.649 -7.903 -3.300 229 HG2 ARG 32 HG2 ARG 32 -9.616 -4.917 -3.810 230 HG3 ARG 32 HG3 ARG 32 -9.122 -6.092 -5.024 231 HD2 ARG 32 HD2 ARG 32 -11.450 -5.326 -5.301 232 HD3 ARG 32 HD3 ARG 32 -11.344 -7.062 -5.047 233 HE ARG 32 HE ARG 32 -11.893 -5.375 -2.720 234 HH11 ARG 32 HH11 ARG 32 -13.110 -7.557 -5.177 235 HH12 ARG 32 HH12 ARG 32 -14.569 -7.923 -4.315 236 HH21 ARG 32 HH21 ARG 32 -13.801 -5.882 -1.572 237 HH22 ARG 32 HH22 ARG 32 -14.958 -6.972 -2.265 238 H SER 33 H SER 33 -11.405 -7.522 0.130 239 HA SER 33 HA SER 33 -9.346 -9.224 1.317 240 HB2 SER 33 HB2 SER 33 -11.304 -9.604 3.021 241 HB3 SER 33 HB3 SER 33 -10.459 -8.053 3.021 242 HG SER 33 HG SER 33 -12.806 -7.924 3.035 Start of MODEL 44 1 HA ALA 1 HA ALA 1 -14.698 -0.692 1.899 2 HB1 ALA 1 HB1 ALA 1 -16.699 1.114 0.544 3 HB2 ALA 1 HB2 ALA 1 -16.599 -0.636 0.355 4 HB3 ALA 1 HB3 ALA 1 -15.278 0.389 -0.208 5 H SER 2 H SER 2 -13.210 0.923 0.833 6 HA SER 2 HA SER 2 -13.209 3.599 1.958 7 HB2 SER 2 HB2 SER 2 -12.259 1.979 3.752 8 HB3 SER 2 HB3 SER 2 -10.875 1.809 2.673 9 HG SER 2 HG SER 2 -10.466 3.436 4.157 10 HA PRO 3 HA PRO 3 -11.303 2.640 -2.308 11 HB2 PRO 3 HB2 PRO 3 -12.814 5.162 -2.825 12 HB3 PRO 3 HB3 PRO 3 -12.634 3.721 -3.850 13 HG2 PRO 3 HG2 PRO 3 -14.899 4.134 -2.557 14 HG3 PRO 3 HG3 PRO 3 -14.193 2.504 -2.622 15 HD2 PRO 3 HD2 PRO 3 -14.167 4.472 -0.333 16 HD3 PRO 3 HD3 PRO 3 -14.380 2.694 -0.312 17 H GLN 4 H GLN 4 -11.704 5.821 -0.750 18 HA GLN 4 HA GLN 4 -9.537 7.033 -2.094 19 HB2 GLN 4 HB2 GLN 4 -11.353 8.346 -1.128 20 HB3 GLN 4 HB3 GLN 4 -10.928 7.790 0.482 21 HG2 GLN 4 HG2 GLN 4 -8.712 8.910 0.202 22 HG3 GLN 4 HG3 GLN 4 -9.313 9.604 -1.304 23 HE21 GLN 4 HE21 GLN 4 -12.039 9.879 -0.219 24 HE22 GLN 4 HE22 GLN 4 -11.977 11.233 0.858 25 H GLN 5 H GLN 5 -9.848 5.651 1.159 26 HA GLN 5 HA GLN 5 -7.175 6.236 1.904 27 HB2 GLN 5 HB2 GLN 5 -9.212 4.328 3.023 28 HB3 GLN 5 HB3 GLN 5 -7.589 4.454 3.685 29 HG2 GLN 5 HG2 GLN 5 -9.263 6.918 3.394 30 HG3 GLN 5 HG3 GLN 5 -9.540 5.820 4.745 31 HE21 GLN 5 HE21 GLN 5 -6.341 6.249 3.414 32 HE22 GLN 5 HE22 GLN 5 -5.694 7.135 4.751 33 H ALA 6 H ALA 6 -8.697 3.538 0.304 34 HA ALA 6 HA ALA 6 -6.576 1.706 0.382 35 HB1 ALA 6 HB1 ALA 6 -8.760 1.034 -0.400 36 HB2 ALA 6 HB2 ALA 6 -7.569 0.757 -1.675 37 HB3 ALA 6 HB3 ALA 6 -8.646 2.146 -1.764 38 H LYS 7 H LYS 7 -7.271 4.381 -1.814 39 HA LYS 7 HA LYS 7 -5.167 3.866 -3.631 40 HB2 LYS 7 HB2 LYS 7 -7.075 5.328 -4.177 41 HB3 LYS 7 HB3 LYS 7 -6.542 6.482 -2.966 42 HG2 LYS 7 HG2 LYS 7 -5.969 7.175 -5.244 43 HG3 LYS 7 HG3 LYS 7 -4.533 6.954 -4.215 44 HD2 LYS 7 HD2 LYS 7 -4.086 4.794 -5.236 45 HD3 LYS 7 HD3 LYS 7 -5.584 4.881 -6.171 46 HE2 LYS 7 HE2 LYS 7 -3.593 5.451 -7.531 47 HE3 LYS 7 HE3 LYS 7 -4.730 6.793 -7.409 48 HZ1 LYS 7 HZ1 LYS 7 -2.605 7.692 -7.091 49 HZ2 LYS 7 HZ2 LYS 7 -2.132 6.477 -6.014 50 HZ3 LYS 7 HZ3 LYS 7 -3.283 7.629 -5.543 51 H TYR 8 H TYR 8 -5.391 5.811 -0.701 52 HA TYR 8 HA TYR 8 -2.789 6.896 -0.787 53 HB2 TYR 8 HB2 TYR 8 -4.649 7.713 0.685 54 HB3 TYR 8 HB3 TYR 8 -4.446 6.259 1.664 55 HD1 TYR 8 HD1 TYR 8 -2.851 9.413 0.629 56 HD2 TYR 8 HD2 TYR 8 -2.696 6.079 3.264 57 HE1 TYR 8 HE1 TYR 8 -1.154 10.570 1.983 58 HE2 TYR 8 HE2 TYR 8 -0.998 7.221 4.623 59 HH TYR 8 HH TYR 8 0.729 9.012 4.281 60 H CYS 9 H CYS 9 -4.106 3.922 0.563 61 HA CYS 9 HA CYS 9 -1.823 3.061 1.961 62 HB2 CYS 9 HB2 CYS 9 -4.186 2.108 2.123 63 HB3 CYS 9 HB3 CYS 9 -3.837 1.218 0.636 64 H TYR 10 H TYR 10 -2.941 2.246 -1.328 65 HA TYR 10 HA TYR 10 -0.675 0.628 -1.914 66 HB2 TYR 10 HB2 TYR 10 -2.840 1.856 -3.625 67 HB3 TYR 10 HB3 TYR 10 -1.487 0.974 -4.337 68 HD1 TYR 10 HD1 TYR 10 -4.717 0.694 -2.803 69 HD2 TYR 10 HD2 TYR 10 -1.105 -1.408 -3.598 70 HE1 TYR 10 HE1 TYR 10 -5.884 -1.438 -2.463 71 HE2 TYR 10 HE2 TYR 10 -2.259 -3.538 -3.262 72 HH TYR 10 HH TYR 10 -5.603 -3.830 -3.159 73 H GLU 11 H GLU 11 -1.257 4.031 -2.099 74 HA GLU 11 HA GLU 11 0.821 4.557 -3.990 75 HB2 GLU 11 HB2 GLU 11 -1.250 6.030 -3.371 76 HB3 GLU 11 HB3 GLU 11 -0.206 6.600 -2.049 77 HG2 GLU 11 HG2 GLU 11 -0.141 8.067 -4.020 78 HG3 GLU 11 HG3 GLU 11 1.446 7.366 -3.623 79 H GLN 12 H GLN 12 0.499 5.143 -0.483 80 HA GLN 12 HA GLN 12 3.205 6.064 -0.350 81 HB2 GLN 12 HB2 GLN 12 1.256 5.510 1.894 82 HB3 GLN 12 HB3 GLN 12 2.779 6.361 2.045 83 HG2 GLN 12 HG2 GLN 12 0.711 7.322 0.133 84 HG3 GLN 12 HG3 GLN 12 0.584 7.685 1.844 85 HE21 GLN 12 HE21 GLN 12 3.675 7.431 0.272 86 HE22 GLN 12 HE22 GLN 12 4.049 9.121 0.292 87 H CYS 13 H CYS 13 1.755 2.965 -0.070 88 HA CYS 13 HA CYS 13 3.388 1.793 1.878 89 HB2 CYS 13 HB2 CYS 13 2.766 -0.367 0.891 90 HB3 CYS 13 HB3 CYS 13 1.356 0.698 0.943 91 H ASN 14 H ASN 14 3.821 1.656 -1.675 92 HA ASN 14 HA ASN 14 6.474 0.623 -1.361 93 HB2 ASN 14 HB2 ASN 14 6.590 0.945 -3.887 94 HB3 ASN 14 HB3 ASN 14 5.368 -0.159 -3.279 95 HD21 ASN 14 HD21 ASN 14 5.318 3.412 -3.526 96 HD22 ASN 14 HD22 ASN 14 3.920 3.462 -4.544 97 H VAL 15 H VAL 15 5.149 3.825 -1.707 98 HA VAL 15 HA VAL 15 7.541 5.117 -2.513 99 HB VAL 15 HB VAL 15 5.196 6.223 -0.949 100 HG11 VAL 15 HG11 VAL 15 7.214 7.553 -0.550 101 HG12 VAL 15 HG12 VAL 15 6.055 8.442 -1.539 102 HG13 VAL 15 HG13 VAL 15 7.465 7.701 -2.290 103 HG21 VAL 15 HG21 VAL 15 4.551 7.250 -3.074 104 HG22 VAL 15 HG22 VAL 15 4.616 5.493 -3.215 105 HG23 VAL 15 HG23 VAL 15 5.922 6.481 -3.869 106 H ASN 16 H ASN 16 6.157 4.282 0.625 107 HA ASN 16 HA ASN 16 8.195 5.602 2.150 108 HB2 ASN 16 HB2 ASN 16 5.896 5.002 3.019 109 HB3 ASN 16 HB3 ASN 16 6.419 3.306 3.061 110 HD21 ASN 16 HD21 ASN 16 5.546 5.014 5.282 111 HD22 ASN 16 HD22 ASN 16 6.878 5.050 6.386 112 H LYS 17 H LYS 17 7.508 2.108 2.192 113 HA LYS 17 HA LYS 17 9.728 1.235 0.815 114 HB2 LYS 17 HB2 LYS 17 11.046 2.255 2.651 115 HB3 LYS 17 HB3 LYS 17 10.228 1.182 3.796 116 HG2 LYS 17 HG2 LYS 17 11.197 -0.767 2.731 117 HG3 LYS 17 HG3 LYS 17 11.938 0.248 1.488 118 HD2 LYS 17 HD2 LYS 17 13.327 1.351 3.119 119 HD3 LYS 17 HD3 LYS 17 12.533 0.492 4.457 120 HE2 LYS 17 HE2 LYS 17 14.679 -0.531 3.945 121 HE3 LYS 17 HE3 LYS 17 13.374 -1.640 3.522 122 HZ1 LYS 17 HZ1 LYS 17 15.164 -1.486 1.840 123 HZ2 LYS 17 HZ2 LYS 17 14.743 0.129 1.571 124 HZ3 LYS 17 HZ3 LYS 17 13.635 -1.101 1.230 125 H VAL 18 H VAL 18 7.889 -0.177 0.202 126 HA VAL 18 HA VAL 18 8.082 -2.611 1.784 127 HB VAL 18 HB VAL 18 5.848 -3.038 2.189 128 HG11 VAL 18 HG11 VAL 18 5.894 -0.027 2.330 129 HG12 VAL 18 HG12 VAL 18 6.442 -1.150 3.575 130 HG13 VAL 18 HG13 VAL 18 4.737 -1.084 3.138 131 HG21 VAL 18 HG21 VAL 18 5.028 -1.031 0.100 132 HG22 VAL 18 HG22 VAL 18 3.957 -2.101 1.010 133 HG23 VAL 18 HG23 VAL 18 5.132 -2.778 -0.120 134 HA PRO 19 HA PRO 19 8.125 -4.350 -2.363 135 HB2 PRO 19 HB2 PRO 19 7.089 -6.800 -1.097 136 HB3 PRO 19 HB3 PRO 19 8.596 -6.558 -1.997 137 HG2 PRO 19 HG2 PRO 19 8.579 -6.930 0.670 138 HG3 PRO 19 HG3 PRO 19 9.764 -5.891 -0.141 139 HD2 PRO 19 HD2 PRO 19 7.328 -5.107 1.417 140 HD3 PRO 19 HD3 PRO 19 8.928 -4.333 1.328 141 H PHE 20 H PHE 20 6.549 -4.965 -3.947 142 HA PHE 20 HA PHE 20 4.002 -3.895 -3.622 143 HB2 PHE 20 HB2 PHE 20 5.058 -4.375 -5.828 144 HB3 PHE 20 HB3 PHE 20 4.763 -6.089 -5.570 145 HD1 PHE 20 HD1 PHE 20 3.220 -2.846 -6.259 146 HD2 PHE 20 HD2 PHE 20 2.557 -7.024 -5.794 147 HE1 PHE 20 HE1 PHE 20 0.986 -2.598 -7.258 148 HE2 PHE 20 HE2 PHE 20 0.321 -6.785 -6.796 149 HZ PHE 20 HZ PHE 20 -0.467 -4.570 -7.528 150 H ASP 21 H ASP 21 5.072 -7.250 -3.226 151 HA ASP 21 HA ASP 21 2.542 -8.395 -2.852 152 HB2 ASP 21 HB2 ASP 21 3.709 -10.277 -1.787 153 HB3 ASP 21 HB3 ASP 21 4.506 -9.786 -3.277 154 H GLN 22 H GLN 22 4.770 -6.890 -0.539 155 HA GLN 22 HA GLN 22 3.235 -7.466 1.760 156 HB2 GLN 22 HB2 GLN 22 5.601 -6.694 1.855 157 HB3 GLN 22 HB3 GLN 22 5.075 -5.098 1.331 158 HG2 GLN 22 HG2 GLN 22 3.557 -5.087 3.357 159 HG3 GLN 22 HG3 GLN 22 4.455 -6.509 3.904 160 HE21 GLN 22 HE21 GLN 22 4.240 -3.907 5.146 161 HE22 GLN 22 HE22 GLN 22 5.851 -3.282 5.268 162 H CYS 23 H CYS 23 3.261 -4.770 -0.525 163 HA CYS 23 HA CYS 23 1.373 -3.147 0.818 164 HB2 CYS 23 HB2 CYS 23 2.812 -2.440 -1.175 165 HB3 CYS 23 HB3 CYS 23 1.665 -3.310 -2.196 166 H TYR 24 H TYR 24 0.999 -5.682 -1.616 167 HA TYR 24 HA TYR 24 -1.823 -5.577 -1.750 168 HB2 TYR 24 HB2 TYR 24 -0.268 -6.717 -3.401 169 HB3 TYR 24 HB3 TYR 24 -0.095 -8.021 -2.214 170 HD1 TYR 24 HD1 TYR 24 -1.894 -9.572 -1.805 171 HD2 TYR 24 HD2 TYR 24 -2.370 -6.377 -4.567 172 HE1 TYR 24 HE1 TYR 24 -3.915 -10.646 -2.690 173 HE2 TYR 24 HE2 TYR 24 -4.393 -7.442 -5.460 174 HH TYR 24 HH TYR 24 -5.960 -10.021 -3.899 175 H GLN 25 H GLN 25 0.384 -7.014 0.518 176 HA GLN 25 HA GLN 25 -1.450 -8.916 1.586 177 HB2 GLN 25 HB2 GLN 25 1.012 -9.175 1.729 178 HB3 GLN 25 HB3 GLN 25 1.084 -7.760 2.776 179 HG2 GLN 25 HG2 GLN 25 1.210 -9.508 4.278 180 HG3 GLN 25 HG3 GLN 25 -0.502 -9.106 4.315 181 HE21 GLN 25 HE21 GLN 25 -1.019 -10.418 1.718 182 HE22 GLN 25 HE22 GLN 25 -0.972 -12.113 2.042 183 H MET 26 H MET 26 -0.519 -5.615 2.401 184 HA MET 26 HA MET 26 -2.271 -5.657 4.729 185 HB2 MET 26 HB2 MET 26 -0.509 -3.466 3.633 186 HB3 MET 26 HB3 MET 26 -1.437 -3.348 5.118 187 HG2 MET 26 HG2 MET 26 -0.116 -5.198 6.071 188 HG3 MET 26 HG3 MET 26 0.833 -5.276 4.586 189 HE1 MET 26 HE1 MET 26 2.487 -1.651 4.669 190 HE2 MET 26 HE2 MET 26 0.939 -2.071 3.941 191 HE3 MET 26 HE3 MET 26 2.333 -3.130 3.725 192 H CYS 27 H CYS 27 -2.036 -3.875 1.637 193 HA CYS 27 HA CYS 27 -4.323 -2.274 2.328 194 HB2 CYS 27 HB2 CYS 27 -2.922 -2.480 -0.355 195 HB3 CYS 27 HB3 CYS 27 -4.027 -1.199 0.177 196 H SER 28 H SER 28 -3.905 -5.249 0.512 197 HA SER 28 HA SER 28 -6.292 -4.965 -0.988 198 HB2 SER 28 HB2 SER 28 -4.467 -6.549 -1.634 199 HB3 SER 28 HB3 SER 28 -5.005 -7.611 -0.322 200 HG SER 28 HG SER 28 -6.552 -6.739 -2.543 201 HA PRO 29 HA PRO 29 -8.409 -7.601 2.608 202 HB2 PRO 29 HB2 PRO 29 -6.617 -6.656 4.797 203 HB3 PRO 29 HB3 PRO 29 -7.462 -8.209 4.625 204 HG2 PRO 29 HG2 PRO 29 -4.861 -8.106 4.164 205 HG3 PRO 29 HG3 PRO 29 -5.921 -9.025 3.062 206 HD2 PRO 29 HD2 PRO 29 -4.723 -6.281 2.691 207 HD3 PRO 29 HD3 PRO 29 -4.858 -7.621 1.525 208 H LEU 30 H LEU 30 -7.082 -4.476 2.498 209 HA LEU 30 HA LEU 30 -9.095 -3.232 4.187 210 HB2 LEU 30 HB2 LEU 30 -6.649 -2.464 3.904 211 HB3 LEU 30 HB3 LEU 30 -7.139 -1.890 2.303 212 HG LEU 30 HG LEU 30 -8.128 -0.859 4.983 213 HD11 LEU 30 HD11 LEU 30 -5.873 -0.146 4.413 214 HD12 LEU 30 HD12 LEU 30 -6.999 1.206 4.268 215 HD13 LEU 30 HD13 LEU 30 -6.422 0.378 2.819 216 HD21 LEU 30 HD21 LEU 30 -9.363 0.820 3.733 217 HD22 LEU 30 HD22 LEU 30 -9.923 -0.795 3.292 218 HD23 LEU 30 HD23 LEU 30 -8.854 0.095 2.208 219 H GLU 31 H GLU 31 -8.084 -3.153 0.813 220 HA GLU 31 HA GLU 31 -10.305 -1.596 -0.061 221 HB2 GLU 31 HB2 GLU 31 -8.097 -1.474 -1.140 222 HB3 GLU 31 HB3 GLU 31 -8.254 -3.158 -1.648 223 HG2 GLU 31 HG2 GLU 31 -10.247 -2.513 -2.982 224 HG3 GLU 31 HG3 GLU 31 -9.925 -0.821 -2.579 225 H ARG 32 H ARG 32 -9.500 -5.040 -0.300 226 HA ARG 32 HA ARG 32 -12.128 -5.458 -1.577 227 HB2 ARG 32 HB2 ARG 32 -9.550 -6.975 -2.094 228 HB3 ARG 32 HB3 ARG 32 -11.119 -7.420 -2.760 229 HG2 ARG 32 HG2 ARG 32 -9.752 -4.765 -3.299 230 HG3 ARG 32 HG3 ARG 32 -9.573 -6.178 -4.334 231 HD2 ARG 32 HD2 ARG 32 -11.209 -4.678 -5.264 232 HD3 ARG 32 HD3 ARG 32 -12.014 -6.151 -4.746 233 HE ARG 32 HE ARG 32 -12.106 -4.157 -2.716 234 HH11 ARG 32 HH11 ARG 32 -13.534 -5.067 -5.779 235 HH12 ARG 32 HH12 ARG 32 -15.029 -4.245 -5.472 236 HH21 ARG 32 HH21 ARG 32 -14.078 -3.085 -2.305 237 HH22 ARG 32 HH22 ARG 32 -15.337 -3.114 -3.499 238 H SER 33 H SER 33 -13.034 -5.816 0.483 239 HA SER 33 HA SER 33 -12.901 -8.633 1.159 240 HB2 SER 33 HB2 SER 33 -12.448 -6.493 3.266 241 HB3 SER 33 HB3 SER 33 -12.754 -8.195 3.609 242 HG SER 33 HG SER 33 -10.765 -7.894 1.791 Start of MODEL 45 1 HA ALA 1 HA ALA 1 -16.477 2.704 0.711 2 HB1 ALA 1 HB1 ALA 1 -18.416 4.661 1.938 3 HB2 ALA 1 HB2 ALA 1 -18.845 3.119 1.198 4 HB3 ALA 1 HB3 ALA 1 -18.144 4.402 0.214 5 H SER 2 H SER 2 -14.445 3.452 0.420 6 HA SER 2 HA SER 2 -13.916 6.236 0.489 7 HB2 SER 2 HB2 SER 2 -13.801 5.683 2.979 8 HB3 SER 2 HB3 SER 2 -12.409 4.668 2.605 9 HG SER 2 HG SER 2 -12.507 7.381 1.819 10 HA PRO 3 HA PRO 3 -11.352 3.448 -2.316 11 HB2 PRO 3 HB2 PRO 3 -11.821 5.878 -3.989 12 HB3 PRO 3 HB3 PRO 3 -11.839 4.161 -4.457 13 HG2 PRO 3 HG2 PRO 3 -14.117 5.474 -4.191 14 HG3 PRO 3 HG3 PRO 3 -13.962 3.817 -3.565 15 HD2 PRO 3 HD2 PRO 3 -13.915 6.417 -2.033 16 HD3 PRO 3 HD3 PRO 3 -14.675 4.851 -1.606 17 H GLN 4 H GLN 4 -11.137 6.773 -1.253 18 HA GLN 4 HA GLN 4 -8.547 7.267 -2.328 19 HB2 GLN 4 HB2 GLN 4 -10.071 8.695 -0.150 20 HB3 GLN 4 HB3 GLN 4 -8.522 9.235 -0.786 21 HG2 GLN 4 HG2 GLN 4 -11.082 8.965 -2.367 22 HG3 GLN 4 HG3 GLN 4 -10.360 10.473 -1.811 23 HE21 GLN 4 HE21 GLN 4 -7.634 9.602 -2.398 24 HE22 GLN 4 HE22 GLN 4 -7.478 9.663 -4.122 25 H GLN 5 H GLN 5 -9.723 6.076 0.766 26 HA GLN 5 HA GLN 5 -7.234 6.257 2.098 27 HB2 GLN 5 HB2 GLN 5 -8.193 5.110 3.883 28 HB3 GLN 5 HB3 GLN 5 -9.582 5.873 3.129 29 HG2 GLN 5 HG2 GLN 5 -10.214 3.807 2.075 30 HG3 GLN 5 HG3 GLN 5 -8.745 3.022 2.646 31 HE21 GLN 5 HE21 GLN 5 -8.537 2.638 4.946 32 HE22 GLN 5 HE22 GLN 5 -9.956 2.498 5.928 33 H ALA 6 H ALA 6 -8.710 3.819 0.102 34 HA ALA 6 HA ALA 6 -6.692 1.842 0.506 35 HB1 ALA 6 HB1 ALA 6 -8.684 2.154 -1.738 36 HB2 ALA 6 HB2 ALA 6 -8.888 1.183 -0.279 37 HB3 ALA 6 HB3 ALA 6 -7.664 0.744 -1.472 38 H LYS 7 H LYS 7 -7.281 4.332 -1.936 39 HA LYS 7 HA LYS 7 -5.103 3.685 -3.608 40 HB2 LYS 7 HB2 LYS 7 -6.964 5.138 -4.328 41 HB3 LYS 7 HB3 LYS 7 -6.451 6.367 -3.184 42 HG2 LYS 7 HG2 LYS 7 -5.753 6.943 -5.423 43 HG3 LYS 7 HG3 LYS 7 -4.334 6.621 -4.393 44 HD2 LYS 7 HD2 LYS 7 -4.170 4.353 -5.344 45 HD3 LYS 7 HD3 LYS 7 -5.577 4.669 -6.364 46 HE2 LYS 7 HE2 LYS 7 -3.478 4.939 -7.626 47 HE3 LYS 7 HE3 LYS 7 -4.354 6.463 -7.500 48 HZ1 LYS 7 HZ1 LYS 7 -2.020 5.651 -5.856 49 HZ2 LYS 7 HZ2 LYS 7 -2.878 7.095 -5.673 50 HZ3 LYS 7 HZ3 LYS 7 -2.019 6.800 -7.095 51 H TYR 8 H TYR 8 -5.415 5.768 -0.786 52 HA TYR 8 HA TYR 8 -2.834 6.892 -0.845 53 HB2 TYR 8 HB2 TYR 8 -4.782 7.654 0.580 54 HB3 TYR 8 HB3 TYR 8 -4.463 6.267 1.624 55 HD1 TYR 8 HD1 TYR 8 -3.138 9.484 0.431 56 HD2 TYR 8 HD2 TYR 8 -2.659 6.282 3.187 57 HE1 TYR 8 HE1 TYR 8 -1.520 10.831 1.701 58 HE2 TYR 8 HE2 TYR 8 -1.035 7.613 4.465 59 HH TYR 8 HH TYR 8 -0.649 10.931 4.037 60 H CYS 9 H CYS 9 -4.114 3.922 0.540 61 HA CYS 9 HA CYS 9 -1.801 3.142 1.958 62 HB2 CYS 9 HB2 CYS 9 -4.125 2.183 2.263 63 HB3 CYS 9 HB3 CYS 9 -3.882 1.277 0.763 64 H TYR 10 H TYR 10 -2.997 2.189 -1.272 65 HA TYR 10 HA TYR 10 -0.745 0.568 -1.880 66 HB2 TYR 10 HB2 TYR 10 -2.900 1.817 -3.591 67 HB3 TYR 10 HB3 TYR 10 -1.569 0.896 -4.295 68 HD1 TYR 10 HD1 TYR 10 -1.272 -1.507 -3.587 69 HD2 TYR 10 HD2 TYR 10 -4.792 0.722 -2.718 70 HE1 TYR 10 HE1 TYR 10 -2.508 -3.601 -3.255 71 HE2 TYR 10 HE2 TYR 10 -6.034 -1.364 -2.381 72 HH TYR 10 HH TYR 10 -5.894 -3.723 -3.066 73 H GLU 11 H GLU 11 -1.303 3.976 -2.079 74 HA GLU 11 HA GLU 11 0.803 4.507 -3.939 75 HB2 GLU 11 HB2 GLU 11 -1.150 6.057 -3.486 76 HB3 GLU 11 HB3 GLU 11 -0.380 6.421 -1.927 77 HG2 GLU 11 HG2 GLU 11 0.096 8.130 -3.606 78 HG3 GLU 11 HG3 GLU 11 1.569 7.300 -3.047 79 H GLN 12 H GLN 12 0.462 5.122 -0.444 80 HA GLN 12 HA GLN 12 3.171 5.977 -0.272 81 HB2 GLN 12 HB2 GLN 12 1.103 5.457 1.861 82 HB3 GLN 12 HB3 GLN 12 2.676 6.170 2.168 83 HG2 GLN 12 HG2 GLN 12 0.899 7.388 0.120 84 HG3 GLN 12 HG3 GLN 12 0.576 7.664 1.825 85 HE21 GLN 12 HE21 GLN 12 3.812 7.219 0.641 86 HE22 GLN 12 HE22 GLN 12 4.323 8.857 0.858 87 H CYS 13 H CYS 13 1.687 2.890 -0.016 88 HA CYS 13 HA CYS 13 3.272 1.685 1.941 89 HB2 CYS 13 HB2 CYS 13 2.683 -0.463 0.899 90 HB3 CYS 13 HB3 CYS 13 1.271 0.598 0.955 91 H ASN 14 H ASN 14 3.817 1.528 -1.604 92 HA ASN 14 HA ASN 14 6.470 0.538 -1.186 93 HB2 ASN 14 HB2 ASN 14 6.716 0.851 -3.682 94 HB3 ASN 14 HB3 ASN 14 5.424 -0.216 -3.166 95 HD21 ASN 14 HD21 ASN 14 5.380 3.346 -3.269 96 HD22 ASN 14 HD22 ASN 14 4.105 3.440 -4.437 97 H VAL 15 H VAL 15 5.111 3.711 -1.527 98 HA VAL 15 HA VAL 15 7.487 5.065 -2.262 99 HB VAL 15 HB VAL 15 5.053 6.085 -0.786 100 HG11 VAL 15 HG11 VAL 15 6.984 7.478 -0.240 101 HG12 VAL 15 HG12 VAL 15 5.873 8.345 -1.299 102 HG13 VAL 15 HG13 VAL 15 7.357 7.655 -1.955 103 HG21 VAL 15 HG21 VAL 15 5.931 6.401 -3.661 104 HG22 VAL 15 HG22 VAL 15 4.502 7.136 -2.935 105 HG23 VAL 15 HG23 VAL 15 4.610 5.382 -3.087 106 H ASN 16 H ASN 16 6.051 4.225 0.879 107 HA ASN 16 HA ASN 16 8.073 5.497 2.428 108 HB2 ASN 16 HB2 ASN 16 6.234 3.173 3.119 109 HB3 ASN 16 HB3 ASN 16 7.295 3.984 4.275 110 HD21 ASN 16 HD21 ASN 16 6.848 6.619 3.118 111 HD22 ASN 16 HD22 ASN 16 5.255 7.087 3.608 112 H LYS 17 H LYS 17 7.570 1.986 2.373 113 HA LYS 17 HA LYS 17 9.607 1.268 0.686 114 HB2 LYS 17 HB2 LYS 17 10.616 1.854 3.365 115 HB3 LYS 17 HB3 LYS 17 10.993 0.211 2.822 116 HG2 LYS 17 HG2 LYS 17 12.000 1.141 0.771 117 HG3 LYS 17 HG3 LYS 17 11.654 2.775 1.354 118 HD2 LYS 17 HD2 LYS 17 13.052 2.235 3.396 119 HD3 LYS 17 HD3 LYS 17 13.495 0.717 2.586 120 HE2 LYS 17 HE2 LYS 17 15.225 2.363 2.208 121 HE3 LYS 17 HE3 LYS 17 14.393 2.018 0.693 122 HZ1 LYS 17 HZ1 LYS 17 13.109 4.043 0.979 123 HZ2 LYS 17 HZ2 LYS 17 14.761 4.384 0.975 124 HZ3 LYS 17 HZ3 LYS 17 13.907 4.374 2.432 125 H VAL 18 H VAL 18 7.785 -0.160 0.205 126 HA VAL 18 HA VAL 18 8.174 -2.648 1.680 127 HB VAL 18 HB VAL 18 5.947 -3.182 2.082 128 HG11 VAL 18 HG11 VAL 18 6.616 -1.380 3.581 129 HG12 VAL 18 HG12 VAL 18 4.881 -1.354 3.264 130 HG13 VAL 18 HG13 VAL 18 5.941 -0.192 2.464 131 HG21 VAL 18 HG21 VAL 18 4.009 -2.103 1.064 132 HG22 VAL 18 HG22 VAL 18 5.117 -2.760 -0.146 133 HG23 VAL 18 HG23 VAL 18 5.082 -1.023 0.169 134 HA PRO 19 HA PRO 19 8.159 -4.297 -2.503 135 HB2 PRO 19 HB2 PRO 19 7.181 -6.777 -1.224 136 HB3 PRO 19 HB3 PRO 19 8.640 -6.520 -2.198 137 HG2 PRO 19 HG2 PRO 19 8.788 -6.911 0.452 138 HG3 PRO 19 HG3 PRO 19 9.890 -5.814 -0.400 139 HD2 PRO 19 HD2 PRO 19 7.498 -5.149 1.280 140 HD3 PRO 19 HD3 PRO 19 9.069 -4.323 1.153 141 H PHE 20 H PHE 20 6.543 -4.978 -4.060 142 HA PHE 20 HA PHE 20 4.008 -3.873 -3.621 143 HB2 PHE 20 HB2 PHE 20 5.037 -4.296 -5.879 144 HB3 PHE 20 HB3 PHE 20 4.637 -5.999 -5.684 145 HD1 PHE 20 HD1 PHE 20 2.363 -6.777 -5.857 146 HD2 PHE 20 HD2 PHE 20 3.294 -2.636 -6.196 147 HE1 PHE 20 HE1 PHE 20 0.114 -6.345 -6.760 148 HE2 PHE 20 HE2 PHE 20 1.046 -2.201 -7.099 149 HZ PHE 20 HZ PHE 20 -0.546 -4.057 -7.379 150 H ASP 21 H ASP 21 5.085 -7.243 -3.416 151 HA ASP 21 HA ASP 21 2.589 -8.416 -2.976 152 HB2 ASP 21 HB2 ASP 21 3.891 -10.231 -1.795 153 HB3 ASP 21 HB3 ASP 21 4.396 -9.879 -3.444 154 H GLN 22 H GLN 22 4.848 -6.933 -0.687 155 HA GLN 22 HA GLN 22 3.373 -7.505 1.650 156 HB2 GLN 22 HB2 GLN 22 5.672 -6.797 1.819 157 HB3 GLN 22 HB3 GLN 22 5.299 -5.261 1.038 158 HG2 GLN 22 HG2 GLN 22 5.536 -4.937 3.406 159 HG3 GLN 22 HG3 GLN 22 3.854 -4.668 2.929 160 HE21 GLN 22 HE21 GLN 22 3.073 -5.039 4.986 161 HE22 GLN 22 HE22 GLN 22 3.028 -6.626 5.690 162 H CYS 23 H CYS 23 3.302 -4.801 -0.628 163 HA CYS 23 HA CYS 23 1.441 -3.208 0.776 164 HB2 CYS 23 HB2 CYS 23 2.797 -2.476 -1.262 165 HB3 CYS 23 HB3 CYS 23 1.633 -3.366 -2.246 166 H TYR 24 H TYR 24 1.048 -5.794 -1.570 167 HA TYR 24 HA TYR 24 -1.770 -5.741 -1.710 168 HB2 TYR 24 HB2 TYR 24 -0.218 -6.902 -3.317 169 HB3 TYR 24 HB3 TYR 24 0.042 -8.143 -2.080 170 HD1 TYR 24 HD1 TYR 24 -1.705 -9.728 -1.533 171 HD2 TYR 24 HD2 TYR 24 -2.305 -6.757 -4.509 172 HE1 TYR 24 HE1 TYR 24 -3.668 -10.950 -2.344 173 HE2 TYR 24 HE2 TYR 24 -4.275 -7.969 -5.327 174 HH TYR 24 HH TYR 24 -5.134 -10.310 -5.309 175 H GLN 25 H GLN 25 0.413 -7.015 0.694 176 HA GLN 25 HA GLN 25 -1.570 -8.813 1.781 177 HB2 GLN 25 HB2 GLN 25 1.160 -7.989 2.777 178 HB3 GLN 25 HB3 GLN 25 0.093 -9.056 3.684 179 HG2 GLN 25 HG2 GLN 25 1.395 -9.577 1.009 180 HG3 GLN 25 HG3 GLN 25 1.588 -10.474 2.513 181 HE21 GLN 25 HE21 GLN 25 -0.073 -11.858 3.191 182 HE22 GLN 25 HE22 GLN 25 -1.273 -12.438 2.084 183 H MET 26 H MET 26 -0.490 -5.559 2.329 184 HA MET 26 HA MET 26 -1.995 -5.381 4.806 185 HB2 MET 26 HB2 MET 26 0.112 -4.290 4.874 186 HB3 MET 26 HB3 MET 26 -0.173 -3.498 3.335 187 HG2 MET 26 HG2 MET 26 -1.901 -2.102 4.368 188 HG3 MET 26 HG3 MET 26 -1.608 -2.895 5.917 189 HE1 MET 26 HE1 MET 26 1.317 -2.051 3.374 190 HE2 MET 26 HE2 MET 26 1.636 -0.371 3.792 191 HE3 MET 26 HE3 MET 26 0.105 -0.816 3.038 192 H CYS 27 H CYS 27 -2.035 -3.804 1.593 193 HA CYS 27 HA CYS 27 -4.310 -2.209 2.391 194 HB2 CYS 27 HB2 CYS 27 -2.995 -2.356 -0.338 195 HB3 CYS 27 HB3 CYS 27 -4.063 -1.080 0.276 196 H SER 28 H SER 28 -3.839 -5.119 0.475 197 HA SER 28 HA SER 28 -6.251 -4.890 -0.961 198 HB2 SER 28 HB2 SER 28 -4.709 -7.419 -0.389 199 HB3 SER 28 HB3 SER 28 -5.933 -7.185 -1.648 200 HG SER 28 HG SER 28 -4.415 -5.299 -2.209 201 HA PRO 29 HA PRO 29 -8.224 -7.769 2.510 202 HB2 PRO 29 HB2 PRO 29 -6.507 -6.771 4.740 203 HB3 PRO 29 HB3 PRO 29 -7.277 -8.359 4.534 204 HG2 PRO 29 HG2 PRO 29 -4.678 -8.118 4.099 205 HG3 PRO 29 HG3 PRO 29 -5.681 -9.081 2.982 206 HD2 PRO 29 HD2 PRO 29 -4.593 -6.295 2.632 207 HD3 PRO 29 HD3 PRO 29 -4.705 -7.622 1.451 208 H LEU 30 H LEU 30 -6.876 -4.589 2.832 209 HA LEU 30 HA LEU 30 -8.926 -3.435 4.460 210 HB2 LEU 30 HB2 LEU 30 -6.540 -2.568 4.039 211 HB3 LEU 30 HB3 LEU 30 -7.138 -2.023 2.465 212 HG LEU 30 HG LEU 30 -7.956 -0.997 5.202 213 HD11 LEU 30 HD11 LEU 30 -5.817 -0.173 4.396 214 HD12 LEU 30 HD12 LEU 30 -7.026 1.110 4.325 215 HD13 LEU 30 HD13 LEU 30 -6.544 0.272 2.850 216 HD21 LEU 30 HD21 LEU 30 -9.402 0.595 4.057 217 HD22 LEU 30 HD22 LEU 30 -9.922 -1.058 3.711 218 HD23 LEU 30 HD23 LEU 30 -9.018 -0.145 2.501 219 H GLU 31 H GLU 31 -8.115 -3.175 1.036 220 HA GLU 31 HA GLU 31 -10.421 -1.708 0.314 221 HB2 GLU 31 HB2 GLU 31 -8.209 -1.772 -0.911 222 HB3 GLU 31 HB3 GLU 31 -8.666 -3.372 -1.507 223 HG2 GLU 31 HG2 GLU 31 -10.329 -0.908 -2.029 224 HG3 GLU 31 HG3 GLU 31 -9.014 -1.427 -3.090 225 H ARG 32 H ARG 32 -9.587 -5.143 -0.093 226 HA ARG 32 HA ARG 32 -12.420 -5.634 -0.721 227 HB2 ARG 32 HB2 ARG 32 -10.941 -5.701 -2.761 228 HB3 ARG 32 HB3 ARG 32 -10.059 -7.035 -2.011 229 HG2 ARG 32 HG2 ARG 32 -11.632 -7.895 -3.652 230 HG3 ARG 32 HG3 ARG 32 -12.103 -8.402 -2.030 231 HD2 ARG 32 HD2 ARG 32 -13.825 -7.393 -3.814 232 HD3 ARG 32 HD3 ARG 32 -14.034 -7.220 -2.077 233 HE ARG 32 HE ARG 32 -12.517 -5.075 -3.249 234 HH11 ARG 32 HH11 ARG 32 -15.753 -6.277 -2.662 235 HH12 ARG 32 HH12 ARG 32 -16.477 -4.700 -2.662 236 HH21 ARG 32 HH21 ARG 32 -13.457 -2.992 -3.232 237 HH22 ARG 32 HH22 ARG 32 -15.176 -2.832 -2.981 238 H SER 33 H SER 33 -13.094 -6.529 1.133 239 HA SER 33 HA SER 33 -11.498 -8.709 2.300 240 HB2 SER 33 HB2 SER 33 -13.915 -7.374 3.556 241 HB3 SER 33 HB3 SER 33 -12.705 -8.378 4.349 242 HG SER 33 HG SER 33 -11.159 -6.699 3.759 Start of MODEL 46 1 HA ALA 1 HA ALA 1 -17.039 2.387 -0.164 2 HB1 ALA 1 HB1 ALA 1 -18.650 2.210 1.666 3 HB2 ALA 1 HB2 ALA 1 -18.516 3.872 1.089 4 HB3 ALA 1 HB3 ALA 1 -17.730 3.394 2.593 5 H SER 2 H SER 2 -14.448 2.792 -0.253 6 HA SER 2 HA SER 2 -14.091 5.575 -0.550 7 HB2 SER 2 HB2 SER 2 -14.006 5.381 2.005 8 HB3 SER 2 HB3 SER 2 -12.523 4.452 1.791 9 HG SER 2 HG SER 2 -12.953 7.150 1.571 10 HA PRO 3 HA PRO 3 -11.200 2.681 -2.872 11 HB2 PRO 3 HB2 PRO 3 -11.808 4.841 -4.847 12 HB3 PRO 3 HB3 PRO 3 -11.635 3.090 -5.105 13 HG2 PRO 3 HG2 PRO 3 -14.042 4.168 -5.091 14 HG3 PRO 3 HG3 PRO 3 -13.751 2.633 -4.243 15 HD2 PRO 3 HD2 PRO 3 -14.025 5.400 -3.070 16 HD3 PRO 3 HD3 PRO 3 -14.668 3.839 -2.471 17 H GLN 4 H GLN 4 -11.387 6.131 -2.318 18 HA GLN 4 HA GLN 4 -8.819 6.842 -3.186 19 HB2 GLN 4 HB2 GLN 4 -10.498 8.537 -2.834 20 HB3 GLN 4 HB3 GLN 4 -10.639 8.105 -1.134 21 HG2 GLN 4 HG2 GLN 4 -9.345 10.021 -1.046 22 HG3 GLN 4 HG3 GLN 4 -8.129 8.746 -1.017 23 HE21 GLN 4 HE21 GLN 4 -8.562 8.240 -3.950 24 HE22 GLN 4 HE22 GLN 4 -7.730 9.531 -4.738 25 H GLN 5 H GLN 5 -10.008 5.850 0.010 26 HA GLN 5 HA GLN 5 -7.543 6.327 1.311 27 HB2 GLN 5 HB2 GLN 5 -8.451 5.348 3.236 28 HB3 GLN 5 HB3 GLN 5 -9.820 6.075 2.419 29 HG2 GLN 5 HG2 GLN 5 -10.452 3.881 1.533 30 HG3 GLN 5 HG3 GLN 5 -9.078 3.165 2.367 31 HE21 GLN 5 HE21 GLN 5 -10.986 5.741 3.762 32 HE22 GLN 5 HE22 GLN 5 -11.732 4.774 4.991 33 H ALA 6 H ALA 6 -8.866 3.549 -0.337 34 HA ALA 6 HA ALA 6 -6.827 1.709 0.344 35 HB1 ALA 6 HB1 ALA 6 -7.524 0.445 -1.639 36 HB2 ALA 6 HB2 ALA 6 -8.500 1.813 -2.168 37 HB3 ALA 6 HB3 ALA 6 -8.915 0.957 -0.684 38 H LYS 7 H LYS 7 -7.156 4.097 -2.218 39 HA LYS 7 HA LYS 7 -4.779 3.445 -3.594 40 HB2 LYS 7 HB2 LYS 7 -6.522 4.825 -4.613 41 HB3 LYS 7 HB3 LYS 7 -6.253 6.079 -3.412 42 HG2 LYS 7 HG2 LYS 7 -5.227 6.674 -5.518 43 HG3 LYS 7 HG3 LYS 7 -3.993 6.430 -4.256 44 HD2 LYS 7 HD2 LYS 7 -3.539 4.182 -5.136 45 HD3 LYS 7 HD3 LYS 7 -4.782 4.398 -6.374 46 HE2 LYS 7 HE2 LYS 7 -2.253 6.033 -6.084 47 HE3 LYS 7 HE3 LYS 7 -2.542 4.791 -7.301 48 HZ1 LYS 7 HZ1 LYS 7 -4.331 6.126 -8.203 49 HZ2 LYS 7 HZ2 LYS 7 -2.893 7.016 -8.180 50 HZ3 LYS 7 HZ3 LYS 7 -4.089 7.314 -7.021 51 H TYR 8 H TYR 8 -5.457 5.504 -0.827 52 HA TYR 8 HA TYR 8 -2.942 6.758 -0.634 53 HB2 TYR 8 HB2 TYR 8 -4.973 7.459 0.632 54 HB3 TYR 8 HB3 TYR 8 -4.810 6.013 1.630 55 HD1 TYR 8 HD1 TYR 8 -3.253 5.932 3.435 56 HD2 TYR 8 HD2 TYR 8 -3.260 9.237 0.762 57 HE1 TYR 8 HE1 TYR 8 -1.780 7.166 4.967 58 HE2 TYR 8 HE2 TYR 8 -1.786 10.481 2.284 59 HH TYR 8 HH TYR 8 -0.151 9.019 4.869 60 H CYS 9 H CYS 9 -4.190 3.739 0.719 61 HA CYS 9 HA CYS 9 -1.925 3.015 2.216 62 HB2 CYS 9 HB2 CYS 9 -4.176 1.928 2.387 63 HB3 CYS 9 HB3 CYS 9 -3.882 1.142 0.830 64 H TYR 10 H TYR 10 -2.839 2.280 -1.125 65 HA TYR 10 HA TYR 10 -0.498 0.741 -1.668 66 HB2 TYR 10 HB2 TYR 10 -2.694 1.888 -3.386 67 HB3 TYR 10 HB3 TYR 10 -1.271 1.131 -4.108 68 HD1 TYR 10 HD1 TYR 10 -0.749 -1.244 -3.512 69 HD2 TYR 10 HD2 TYR 10 -4.486 0.557 -2.579 70 HE1 TYR 10 HE1 TYR 10 -1.749 -3.459 -3.289 71 HE2 TYR 10 HE2 TYR 10 -5.502 -1.666 -2.349 72 HH TYR 10 HH TYR 10 -3.638 -4.521 -2.181 73 H GLU 11 H GLU 11 -1.274 4.152 -1.963 74 HA GLU 11 HA GLU 11 0.913 4.729 -3.689 75 HB2 GLU 11 HB2 GLU 11 -1.088 6.222 -3.450 76 HB3 GLU 11 HB3 GLU 11 -0.513 6.661 -1.826 77 HG2 GLU 11 HG2 GLU 11 1.597 7.483 -2.890 78 HG3 GLU 11 HG3 GLU 11 0.829 7.214 -4.471 79 H GLN 12 H GLN 12 0.462 4.967 -0.152 80 HA GLN 12 HA GLN 12 3.065 6.161 0.136 81 HB2 GLN 12 HB2 GLN 12 1.127 5.232 2.267 82 HB3 GLN 12 HB3 GLN 12 2.553 6.214 2.527 83 HG2 GLN 12 HG2 GLN 12 0.466 7.133 0.623 84 HG3 GLN 12 HG3 GLN 12 0.221 7.315 2.352 85 HE21 GLN 12 HE21 GLN 12 3.413 7.505 1.018 86 HE22 GLN 12 HE22 GLN 12 3.610 9.216 1.202 87 H CYS 13 H CYS 13 1.869 2.946 0.094 88 HA CYS 13 HA CYS 13 3.634 1.762 1.950 89 HB2 CYS 13 HB2 CYS 13 3.036 -0.367 0.920 90 HB3 CYS 13 HB3 CYS 13 1.588 0.642 1.016 91 H ASN 14 H ASN 14 3.879 1.895 -1.619 92 HA ASN 14 HA ASN 14 6.573 0.955 -1.566 93 HB2 ASN 14 HB2 ASN 14 6.578 1.559 -4.015 94 HB3 ASN 14 HB3 ASN 14 5.338 0.423 -3.515 95 HD21 ASN 14 HD21 ASN 14 5.306 3.980 -3.214 96 HD22 ASN 14 HD22 ASN 14 3.922 4.196 -4.231 97 H VAL 15 H VAL 15 5.141 4.107 -1.390 98 HA VAL 15 HA VAL 15 7.377 5.643 -2.129 99 HB VAL 15 HB VAL 15 5.098 6.264 -0.246 100 HG11 VAL 15 HG11 VAL 15 7.001 7.559 0.518 101 HG12 VAL 15 HG12 VAL 15 5.868 8.621 -0.320 102 HG13 VAL 15 HG13 VAL 15 7.340 8.088 -1.130 103 HG21 VAL 15 HG21 VAL 15 4.410 7.785 -2.054 104 HG22 VAL 15 HG22 VAL 15 4.509 6.114 -2.608 105 HG23 VAL 15 HG23 VAL 15 5.789 7.255 -3.017 106 H ASN 16 H ASN 16 6.372 4.321 1.032 107 HA ASN 16 HA ASN 16 8.628 5.405 2.408 108 HB2 ASN 16 HB2 ASN 16 6.883 3.026 3.143 109 HB3 ASN 16 HB3 ASN 16 8.027 3.834 4.220 110 HD21 ASN 16 HD21 ASN 16 7.352 6.495 3.241 111 HD22 ASN 16 HD22 ASN 16 5.799 6.861 3.918 112 H LYS 17 H LYS 17 7.971 1.937 2.183 113 HA LYS 17 HA LYS 17 9.759 1.229 0.238 114 HB2 LYS 17 HB2 LYS 17 11.632 0.220 1.541 115 HB3 LYS 17 HB3 LYS 17 11.620 1.987 1.531 116 HG2 LYS 17 HG2 LYS 17 10.682 2.002 3.785 117 HG3 LYS 17 HG3 LYS 17 10.657 0.232 3.793 118 HD2 LYS 17 HD2 LYS 17 13.058 0.132 3.574 119 HD3 LYS 17 HD3 LYS 17 13.168 1.896 3.404 120 HE2 LYS 17 HE2 LYS 17 12.218 0.381 5.846 121 HE3 LYS 17 HE3 LYS 17 13.786 1.161 5.659 122 HZ1 LYS 17 HZ1 LYS 17 11.141 2.505 5.720 123 HZ2 LYS 17 HZ2 LYS 17 12.604 3.288 5.402 124 HZ3 LYS 17 HZ3 LYS 17 12.339 2.573 6.908 125 H VAL 18 H VAL 18 7.857 -0.145 -0.080 126 HA VAL 18 HA VAL 18 8.285 -2.642 1.384 127 HB VAL 18 HB VAL 18 6.101 -3.065 1.990 128 HG11 VAL 18 HG11 VAL 18 6.870 -1.192 3.325 129 HG12 VAL 18 HG12 VAL 18 5.122 -1.123 3.088 130 HG13 VAL 18 HG13 VAL 18 6.182 -0.054 2.165 131 HG21 VAL 18 HG21 VAL 18 5.105 -1.021 0.014 132 HG22 VAL 18 HG22 VAL 18 4.113 -2.086 1.017 133 HG23 VAL 18 HG23 VAL 18 5.162 -2.769 -0.231 134 HA PRO 19 HA PRO 19 8.015 -4.348 -2.743 135 HB2 PRO 19 HB2 PRO 19 7.153 -6.826 -1.403 136 HB3 PRO 19 HB3 PRO 19 8.573 -6.544 -2.424 137 HG2 PRO 19 HG2 PRO 19 8.808 -6.913 0.222 138 HG3 PRO 19 HG3 PRO 19 9.866 -5.804 -0.671 139 HD2 PRO 19 HD2 PRO 19 7.498 -5.165 1.060 140 HD3 PRO 19 HD3 PRO 19 9.063 -4.327 0.905 141 H PHE 20 H PHE 20 6.350 -5.066 -4.199 142 HA PHE 20 HA PHE 20 3.817 -4.045 -3.751 143 HB2 PHE 20 HB2 PHE 20 4.703 -4.602 -5.997 144 HB3 PHE 20 HB3 PHE 20 4.504 -6.312 -5.638 145 HD1 PHE 20 HD1 PHE 20 2.742 -3.157 -6.275 146 HD2 PHE 20 HD2 PHE 20 2.363 -7.361 -5.735 147 HE1 PHE 20 HE1 PHE 20 0.427 -3.051 -7.104 148 HE2 PHE 20 HE2 PHE 20 0.048 -7.264 -6.568 149 HZ PHE 20 HZ PHE 20 -0.923 -5.107 -7.251 150 H ASP 21 H ASP 21 4.959 -7.357 -3.247 151 HA ASP 21 HA ASP 21 2.515 -8.565 -2.685 152 HB2 ASP 21 HB2 ASP 21 3.900 -10.183 -1.303 153 HB3 ASP 21 HB3 ASP 21 4.379 -9.994 -2.987 154 H GLN 22 H GLN 22 4.814 -7.048 -0.395 155 HA GLN 22 HA GLN 22 3.224 -7.413 1.881 156 HB2 GLN 22 HB2 GLN 22 5.566 -6.754 2.073 157 HB3 GLN 22 HB3 GLN 22 5.220 -5.210 1.300 158 HG2 GLN 22 HG2 GLN 22 3.668 -4.703 3.188 159 HG3 GLN 22 HG3 GLN 22 4.251 -6.170 3.980 160 HE21 GLN 22 HE21 GLN 22 6.978 -5.820 3.018 161 HE22 GLN 22 HE22 GLN 22 7.658 -4.535 3.958 162 H CYS 23 H CYS 23 3.330 -4.794 -0.499 163 HA CYS 23 HA CYS 23 1.508 -3.087 0.827 164 HB2 CYS 23 HB2 CYS 23 2.962 -2.440 -1.178 165 HB3 CYS 23 HB3 CYS 23 1.770 -3.269 -2.183 166 H TYR 24 H TYR 24 1.033 -5.650 -1.556 167 HA TYR 24 HA TYR 24 -1.764 -5.359 -1.751 168 HB2 TYR 24 HB2 TYR 24 -0.231 -6.700 -3.306 169 HB3 TYR 24 HB3 TYR 24 -0.285 -7.977 -2.081 170 HD1 TYR 24 HD1 TYR 24 -2.378 -9.174 -1.632 171 HD2 TYR 24 HD2 TYR 24 -2.127 -6.232 -4.690 172 HE1 TYR 24 HE1 TYR 24 -4.476 -10.006 -2.596 173 HE2 TYR 24 HE2 TYR 24 -4.224 -7.055 -5.664 174 HH TYR 24 HH TYR 24 -6.311 -9.162 -4.037 175 H GLN 25 H GLN 25 0.292 -7.094 0.527 176 HA GLN 25 HA GLN 25 -1.881 -8.677 1.546 177 HB2 GLN 25 HB2 GLN 25 0.954 -8.236 2.476 178 HB3 GLN 25 HB3 GLN 25 -0.193 -9.187 3.411 179 HG2 GLN 25 HG2 GLN 25 0.666 -9.781 0.567 180 HG3 GLN 25 HG3 GLN 25 1.212 -10.624 2.014 181 HE21 GLN 25 HE21 GLN 25 -0.205 -11.995 3.096 182 HE22 GLN 25 HE22 GLN 25 -1.661 -12.577 2.360 183 H MET 26 H MET 26 -0.395 -5.630 2.411 184 HA MET 26 HA MET 26 -1.781 -5.480 4.928 185 HB2 MET 26 HB2 MET 26 0.326 -4.373 4.836 186 HB3 MET 26 HB3 MET 26 -0.105 -3.536 3.356 187 HG2 MET 26 HG2 MET 26 -1.752 -2.198 4.589 188 HG3 MET 26 HG3 MET 26 -1.304 -3.032 6.077 189 HE1 MET 26 HE1 MET 26 1.655 -0.352 3.741 190 HE2 MET 26 HE2 MET 26 0.082 -0.855 3.118 191 HE3 MET 26 HE3 MET 26 1.376 -2.037 3.312 192 H CYS 27 H CYS 27 -2.156 -3.989 1.719 193 HA CYS 27 HA CYS 27 -4.406 -2.430 2.672 194 HB2 CYS 27 HB2 CYS 27 -3.408 -2.637 -0.181 195 HB3 CYS 27 HB3 CYS 27 -4.384 -1.345 0.542 196 H SER 28 H SER 28 -4.083 -5.565 1.358 197 HA SER 28 HA SER 28 -6.327 -5.673 -0.297 198 HB2 SER 28 HB2 SER 28 -6.309 -8.192 0.289 199 HB3 SER 28 HB3 SER 28 -4.924 -7.496 -0.561 200 HG SER 28 HG SER 28 -3.706 -7.768 1.155 201 HA PRO 29 HA PRO 29 -8.964 -7.206 3.564 202 HB2 PRO 29 HB2 PRO 29 -7.568 -5.544 5.611 203 HB3 PRO 29 HB3 PRO 29 -8.361 -7.123 5.792 204 HG2 PRO 29 HG2 PRO 29 -5.716 -6.999 5.729 205 HG3 PRO 29 HG3 PRO 29 -6.572 -8.284 4.837 206 HD2 PRO 29 HD2 PRO 29 -5.326 -5.752 3.786 207 HD3 PRO 29 HD3 PRO 29 -5.318 -7.392 3.089 208 H LEU 30 H LEU 30 -7.509 -4.096 3.112 209 HA LEU 30 HA LEU 30 -9.770 -2.555 3.995 210 HB2 LEU 30 HB2 LEU 30 -7.305 -1.845 4.019 211 HB3 LEU 30 HB3 LEU 30 -7.458 -1.645 2.265 212 HG LEU 30 HG LEU 30 -9.002 -0.083 4.366 213 HD11 LEU 30 HD11 LEU 30 -7.598 1.803 3.552 214 HD12 LEU 30 HD12 LEU 30 -6.656 0.645 2.609 215 HD13 LEU 30 HD13 LEU 30 -6.674 0.540 4.370 216 HD21 LEU 30 HD21 LEU 30 -9.795 1.286 2.545 217 HD22 LEU 30 HD22 LEU 30 -10.219 -0.395 2.214 218 HD23 LEU 30 HD23 LEU 30 -8.859 0.355 1.377 219 H GLU 31 H GLU 31 -8.195 -3.121 0.871 220 HA GLU 31 HA GLU 31 -10.155 -1.780 -0.654 221 HB2 GLU 31 HB2 GLU 31 -7.828 -2.167 -1.431 222 HB3 GLU 31 HB3 GLU 31 -8.182 -3.895 -1.566 223 HG2 GLU 31 HG2 GLU 31 -9.924 -3.351 -3.250 224 HG3 GLU 31 HG3 GLU 31 -9.419 -1.658 -3.176 225 H ARG 32 H ARG 32 -9.703 -5.209 0.088 226 HA ARG 32 HA ARG 32 -12.516 -5.667 -0.424 227 HB2 ARG 32 HB2 ARG 32 -11.528 -6.032 -2.660 228 HB3 ARG 32 HB3 ARG 32 -10.371 -7.168 -1.962 229 HG2 ARG 32 HG2 ARG 32 -11.898 -8.667 -2.767 230 HG3 ARG 32 HG3 ARG 32 -12.574 -8.405 -1.162 231 HD2 ARG 32 HD2 ARG 32 -13.519 -7.282 -3.796 232 HD3 ARG 32 HD3 ARG 32 -14.384 -8.315 -2.668 233 HE ARG 32 HE ARG 32 -13.653 -5.579 -1.887 234 HH11 ARG 32 HH11 ARG 32 -16.072 -8.040 -2.481 235 HH12 ARG 32 HH12 ARG 32 -17.382 -7.075 -1.888 236 HH21 ARG 32 HH21 ARG 32 -15.393 -4.302 -1.110 237 HH22 ARG 32 HH22 ARG 32 -17.000 -4.954 -1.119 238 H SER 33 H SER 33 -9.945 -8.049 -0.452 239 HA SER 33 HA SER 33 -9.823 -8.688 2.262 240 HB2 SER 33 HB2 SER 33 -12.298 -9.230 1.781 241 HB3 SER 33 HB3 SER 33 -11.699 -10.572 0.807 242 HG SER 33 HG SER 33 -11.795 -11.555 2.678 Start of MODEL 47 1 HA ALA 1 HA ALA 1 -16.405 1.946 -0.106 2 HB1 ALA 1 HB1 ALA 1 -17.350 4.783 0.292 3 HB2 ALA 1 HB2 ALA 1 -18.045 3.616 -0.833 4 HB3 ALA 1 HB3 ALA 1 -16.392 4.182 -1.062 5 H SER 2 H SER 2 -14.245 2.610 -0.279 6 HA SER 2 HA SER 2 -13.062 4.378 1.657 7 HB2 SER 2 HB2 SER 2 -12.497 1.396 1.801 8 HB3 SER 2 HB3 SER 2 -11.444 2.609 2.523 9 HG SER 2 HG SER 2 -14.158 2.777 3.135 10 HA PRO 3 HA PRO 3 -11.113 3.391 -2.575 11 HB2 PRO 3 HB2 PRO 3 -11.509 5.810 -3.782 12 HB3 PRO 3 HB3 PRO 3 -12.657 4.457 -3.895 13 HG2 PRO 3 HG2 PRO 3 -12.735 6.896 -2.180 14 HG3 PRO 3 HG3 PRO 3 -14.063 6.054 -3.001 15 HD2 PRO 3 HD2 PRO 3 -13.526 5.805 -0.311 16 HD3 PRO 3 HD3 PRO 3 -14.297 4.509 -1.268 17 H GLN 4 H GLN 4 -10.954 6.546 -0.925 18 HA GLN 4 HA GLN 4 -8.427 7.225 -1.991 19 HB2 GLN 4 HB2 GLN 4 -9.913 8.279 0.411 20 HB3 GLN 4 HB3 GLN 4 -8.365 8.923 -0.113 21 HG2 GLN 4 HG2 GLN 4 -9.357 9.547 -2.277 22 HG3 GLN 4 HG3 GLN 4 -10.911 8.911 -1.740 23 HE21 GLN 4 HE21 GLN 4 -10.488 9.868 1.006 24 HE22 GLN 4 HE22 GLN 4 -10.759 11.577 0.948 25 H GLN 5 H GLN 5 -9.393 5.699 1.038 26 HA GLN 5 HA GLN 5 -6.819 5.694 2.191 27 HB2 GLN 5 HB2 GLN 5 -9.196 3.909 2.659 28 HB3 GLN 5 HB3 GLN 5 -7.691 3.717 3.540 29 HG2 GLN 5 HG2 GLN 5 -7.929 6.097 4.295 30 HG3 GLN 5 HG3 GLN 5 -9.541 6.095 3.582 31 HE21 GLN 5 HE21 GLN 5 -9.967 3.264 4.313 32 HE22 GLN 5 HE22 GLN 5 -10.291 3.273 6.014 33 H ALA 6 H ALA 6 -8.488 3.382 0.135 34 HA ALA 6 HA ALA 6 -6.465 1.414 0.172 35 HB1 ALA 6 HB1 ALA 6 -8.701 0.883 -0.600 36 HB2 ALA 6 HB2 ALA 6 -7.520 0.553 -1.869 37 HB3 ALA 6 HB3 ALA 6 -8.521 2.000 -1.954 38 H LYS 7 H LYS 7 -7.113 4.131 -2.012 39 HA LYS 7 HA LYS 7 -4.958 3.539 -3.762 40 HB2 LYS 7 HB2 LYS 7 -6.906 4.978 -4.384 41 HB3 LYS 7 HB3 LYS 7 -6.293 6.218 -3.302 42 HG2 LYS 7 HG2 LYS 7 -5.712 6.732 -5.593 43 HG3 LYS 7 HG3 LYS 7 -4.247 6.393 -4.635 44 HD2 LYS 7 HD2 LYS 7 -4.186 4.108 -5.547 45 HD3 LYS 7 HD3 LYS 7 -5.650 4.427 -6.483 46 HE2 LYS 7 HE2 LYS 7 -3.003 5.853 -6.796 47 HE3 LYS 7 HE3 LYS 7 -3.633 4.617 -7.882 48 HZ1 LYS 7 HZ1 LYS 7 -4.909 7.250 -7.360 49 HZ2 LYS 7 HZ2 LYS 7 -5.465 6.072 -8.434 50 HZ3 LYS 7 HZ3 LYS 7 -3.998 6.858 -8.728 51 H TYR 8 H TYR 8 -5.295 5.585 -0.904 52 HA TYR 8 HA TYR 8 -2.764 6.807 -1.015 53 HB2 TYR 8 HB2 TYR 8 -4.665 7.518 0.474 54 HB3 TYR 8 HB3 TYR 8 -4.322 6.110 1.480 55 HD1 TYR 8 HD1 TYR 8 -3.055 9.375 0.370 56 HD2 TYR 8 HD2 TYR 8 -2.468 6.077 2.984 57 HE1 TYR 8 HE1 TYR 8 -1.402 10.680 1.633 58 HE2 TYR 8 HE2 TYR 8 -0.814 7.368 4.256 59 HH TYR 8 HH TYR 8 0.686 9.270 3.929 60 H CYS 9 H CYS 9 -3.878 3.795 0.488 61 HA CYS 9 HA CYS 9 -1.455 3.102 1.720 62 HB2 CYS 9 HB2 CYS 9 -3.429 1.853 2.306 63 HB3 CYS 9 HB3 CYS 9 -3.661 1.322 0.632 64 H TYR 10 H TYR 10 -2.726 2.075 -1.446 65 HA TYR 10 HA TYR 10 -0.387 0.593 -2.078 66 HB2 TYR 10 HB2 TYR 10 -2.743 1.520 -3.729 67 HB3 TYR 10 HB3 TYR 10 -1.395 0.614 -4.430 68 HD1 TYR 10 HD1 TYR 10 -4.462 0.386 -2.528 69 HD2 TYR 10 HD2 TYR 10 -0.866 -1.651 -3.522 70 HE1 TYR 10 HE1 TYR 10 -5.467 -1.729 -1.808 71 HE2 TYR 10 HE2 TYR 10 -1.862 -3.762 -2.811 72 HH TYR 10 HH TYR 10 -5.113 -4.217 -2.329 73 H GLU 11 H GLU 11 -1.186 3.920 -2.374 74 HA GLU 11 HA GLU 11 0.886 4.516 -4.265 75 HB2 GLU 11 HB2 GLU 11 -1.064 5.978 -4.081 76 HB3 GLU 11 HB3 GLU 11 -0.683 6.312 -2.381 77 HG2 GLU 11 HG2 GLU 11 1.442 7.358 -3.127 78 HG3 GLU 11 HG3 GLU 11 0.900 7.140 -4.809 79 H GLN 12 H GLN 12 0.518 5.006 -0.726 80 HA GLN 12 HA GLN 12 3.182 6.076 -0.576 81 HB2 GLN 12 HB2 GLN 12 1.121 5.546 1.566 82 HB3 GLN 12 HB3 GLN 12 2.648 6.371 1.829 83 HG2 GLN 12 HG2 GLN 12 0.809 7.370 -0.279 84 HG3 GLN 12 HG3 GLN 12 0.448 7.708 1.406 85 HE21 GLN 12 HE21 GLN 12 3.717 7.419 0.277 86 HE22 GLN 12 HE22 GLN 12 4.121 9.094 0.419 87 H CYS 13 H CYS 13 1.811 2.950 -0.258 88 HA CYS 13 HA CYS 13 3.299 1.840 1.812 89 HB2 CYS 13 HB2 CYS 13 2.870 -0.353 0.765 90 HB3 CYS 13 HB3 CYS 13 1.422 0.660 0.710 91 H ASN 14 H ASN 14 4.140 1.804 -1.664 92 HA ASN 14 HA ASN 14 6.760 0.773 -1.148 93 HB2 ASN 14 HB2 ASN 14 5.678 0.429 -3.334 94 HB3 ASN 14 HB3 ASN 14 5.727 2.161 -3.637 95 HD21 ASN 14 HD21 ASN 14 7.769 -0.693 -3.165 96 HD22 ASN 14 HD22 ASN 14 9.131 -0.050 -4.022 97 H VAL 15 H VAL 15 5.414 3.977 -1.280 98 HA VAL 15 HA VAL 15 7.839 5.378 -1.676 99 HB VAL 15 HB VAL 15 5.261 6.303 -0.395 100 HG11 VAL 15 HG11 VAL 15 7.665 7.903 -1.275 101 HG12 VAL 15 HG12 VAL 15 7.087 7.699 0.378 102 HG13 VAL 15 HG13 VAL 15 6.116 8.590 -0.794 103 HG21 VAL 15 HG21 VAL 15 6.377 6.700 -3.176 104 HG22 VAL 15 HG22 VAL 15 4.906 7.448 -2.556 105 HG23 VAL 15 HG23 VAL 15 4.996 5.697 -2.740 106 H ASN 16 H ASN 16 6.102 4.254 1.191 107 HA ASN 16 HA ASN 16 7.953 5.376 3.059 108 HB2 ASN 16 HB2 ASN 16 6.096 2.986 3.373 109 HB3 ASN 16 HB3 ASN 16 6.935 3.818 4.686 110 HD21 ASN 16 HD21 ASN 16 6.517 6.468 3.594 111 HD22 ASN 16 HD22 ASN 16 4.838 6.828 3.828 112 H LYS 17 H LYS 17 7.410 1.890 2.623 113 HA LYS 17 HA LYS 17 9.672 1.298 1.148 114 HB2 LYS 17 HB2 LYS 17 10.976 2.001 3.113 115 HB3 LYS 17 HB3 LYS 17 10.115 0.810 4.100 116 HG2 LYS 17 HG2 LYS 17 10.992 -0.969 2.575 117 HG3 LYS 17 HG3 LYS 17 12.006 0.259 1.806 118 HD2 LYS 17 HD2 LYS 17 13.348 -0.855 3.440 119 HD3 LYS 17 HD3 LYS 17 12.968 0.744 4.114 120 HE2 LYS 17 HE2 LYS 17 12.731 -0.991 5.810 121 HE3 LYS 17 HE3 LYS 17 11.167 -0.263 5.446 122 HZ1 LYS 17 HZ1 LYS 17 10.609 -2.167 4.097 123 HZ2 LYS 17 HZ2 LYS 17 11.066 -2.689 5.639 124 HZ3 LYS 17 HZ3 LYS 17 12.139 -2.844 4.343 125 H VAL 18 H VAL 18 7.817 -0.003 0.314 126 HA VAL 18 HA VAL 18 8.058 -2.671 1.396 127 HB VAL 18 HB VAL 18 5.917 -3.152 2.033 128 HG11 VAL 18 HG11 VAL 18 5.757 -0.172 2.468 129 HG12 VAL 18 HG12 VAL 18 6.602 -1.317 3.508 130 HG13 VAL 18 HG13 VAL 18 4.852 -1.423 3.326 131 HG21 VAL 18 HG21 VAL 18 4.840 -0.994 0.238 132 HG22 VAL 18 HG22 VAL 18 3.886 -2.166 1.153 133 HG23 VAL 18 HG23 VAL 18 4.956 -2.712 -0.142 134 HA PRO 19 HA PRO 19 7.602 -3.582 -3.009 135 HB2 PRO 19 HB2 PRO 19 6.900 -6.289 -2.075 136 HB3 PRO 19 HB3 PRO 19 8.231 -5.778 -3.128 137 HG2 PRO 19 HG2 PRO 19 8.676 -6.609 -0.612 138 HG3 PRO 19 HG3 PRO 19 9.643 -5.329 -1.371 139 HD2 PRO 19 HD2 PRO 19 7.410 -5.075 0.621 140 HD3 PRO 19 HD3 PRO 19 8.942 -4.175 0.499 141 H PHE 20 H PHE 20 5.819 -4.099 -4.433 142 HA PHE 20 HA PHE 20 3.326 -3.221 -3.528 143 HB2 PHE 20 HB2 PHE 20 4.080 -3.249 -5.925 144 HB3 PHE 20 HB3 PHE 20 3.762 -4.981 -5.948 145 HD1 PHE 20 HD1 PHE 20 2.258 -1.652 -5.763 146 HD2 PHE 20 HD2 PHE 20 1.513 -5.836 -5.976 147 HE1 PHE 20 HE1 PHE 20 -0.094 -1.200 -6.315 148 HE2 PHE 20 HE2 PHE 20 -0.841 -5.390 -6.535 149 HZ PHE 20 HZ PHE 20 -1.648 -3.070 -6.704 150 H ASP 21 H ASP 21 4.539 -6.533 -3.887 151 HA ASP 21 HA ASP 21 2.145 -7.883 -3.352 152 HB2 ASP 21 HB2 ASP 21 3.565 -9.773 -2.600 153 HB3 ASP 21 HB3 ASP 21 4.088 -9.109 -4.144 154 H GLN 22 H GLN 22 4.539 -6.476 -1.172 155 HA GLN 22 HA GLN 22 3.243 -7.352 1.197 156 HB2 GLN 22 HB2 GLN 22 5.621 -6.742 1.184 157 HB3 GLN 22 HB3 GLN 22 5.195 -5.075 0.813 158 HG2 GLN 22 HG2 GLN 22 4.042 -4.876 2.944 159 HG3 GLN 22 HG3 GLN 22 4.415 -6.564 3.310 160 HE21 GLN 22 HE21 GLN 22 5.530 -6.003 5.171 161 HE22 GLN 22 HE22 GLN 22 7.106 -5.289 5.117 162 H CYS 23 H CYS 23 3.034 -4.437 -0.819 163 HA CYS 23 HA CYS 23 1.314 -2.920 0.772 164 HB2 CYS 23 HB2 CYS 23 1.062 -3.218 -2.245 165 HB3 CYS 23 HB3 CYS 23 0.474 -1.880 -1.271 166 H TYR 24 H TYR 24 0.611 -5.534 -1.500 167 HA TYR 24 HA TYR 24 -2.185 -5.525 -1.167 168 HB2 TYR 24 HB2 TYR 24 -0.961 -6.663 -3.055 169 HB3 TYR 24 HB3 TYR 24 -0.463 -7.913 -1.903 170 HD1 TYR 24 HD1 TYR 24 -3.357 -6.398 -3.613 171 HD2 TYR 24 HD2 TYR 24 -1.973 -9.622 -1.217 172 HE1 TYR 24 HE1 TYR 24 -5.464 -7.590 -4.009 173 HE2 TYR 24 HE2 TYR 24 -4.075 -10.824 -1.609 174 HH TYR 24 HH TYR 24 -6.271 -9.969 -3.996 175 H GLN 25 H GLN 25 0.390 -7.181 0.609 176 HA GLN 25 HA GLN 25 -1.344 -9.035 1.884 177 HB2 GLN 25 HB2 GLN 25 1.422 -8.059 2.611 178 HB3 GLN 25 HB3 GLN 25 0.556 -9.245 3.579 179 HG2 GLN 25 HG2 GLN 25 1.462 -9.564 0.707 180 HG3 GLN 25 HG3 GLN 25 2.050 -10.428 2.123 181 HE21 GLN 25 HE21 GLN 25 -0.489 -10.142 -0.201 182 HE22 GLN 25 HE22 GLN 25 -1.315 -11.606 0.214 183 H MET 26 H MET 26 -0.290 -5.795 2.682 184 HA MET 26 HA MET 26 -1.452 -5.902 5.318 185 HB2 MET 26 HB2 MET 26 0.527 -4.604 5.108 186 HB3 MET 26 HB3 MET 26 -0.095 -3.765 3.697 187 HG2 MET 26 HG2 MET 26 -1.736 -2.606 5.101 188 HG3 MET 26 HG3 MET 26 -1.104 -3.445 6.520 189 HE1 MET 26 HE1 MET 26 1.347 -2.267 3.645 190 HE2 MET 26 HE2 MET 26 1.541 -0.564 4.051 191 HE3 MET 26 HE3 MET 26 -0.021 -1.163 3.494 192 H CYS 27 H CYS 27 -2.282 -4.410 2.201 193 HA CYS 27 HA CYS 27 -4.671 -3.302 3.493 194 HB2 CYS 27 HB2 CYS 27 -3.195 -2.436 1.001 195 HB3 CYS 27 HB3 CYS 27 -4.802 -1.814 1.440 196 H SER 28 H SER 28 -4.053 -6.044 1.847 197 HA SER 28 HA SER 28 -6.138 -6.207 0.028 198 HB2 SER 28 HB2 SER 28 -6.207 -8.709 0.762 199 HB3 SER 28 HB3 SER 28 -4.769 -8.069 -0.043 200 HG SER 28 HG SER 28 -3.703 -8.034 1.870 201 HA PRO 29 HA PRO 29 -9.191 -7.315 3.695 202 HB2 PRO 29 HB2 PRO 29 -7.830 -5.819 5.875 203 HB3 PRO 29 HB3 PRO 29 -8.734 -7.344 5.949 204 HG2 PRO 29 HG2 PRO 29 -6.089 -7.390 6.114 205 HG3 PRO 29 HG3 PRO 29 -6.943 -8.603 5.125 206 HD2 PRO 29 HD2 PRO 29 -5.503 -6.106 4.232 207 HD3 PRO 29 HD3 PRO 29 -5.457 -7.746 3.534 208 H LEU 30 H LEU 30 -7.521 -4.479 2.908 209 HA LEU 30 HA LEU 30 -9.567 -2.642 3.872 210 HB2 LEU 30 HB2 LEU 30 -6.993 -2.251 3.876 211 HB3 LEU 30 HB3 LEU 30 -7.190 -1.951 2.142 212 HG LEU 30 HG LEU 30 -8.420 -0.337 4.403 213 HD11 LEU 30 HD11 LEU 30 -6.211 0.262 2.434 214 HD12 LEU 30 HD12 LEU 30 -6.048 0.054 4.178 215 HD13 LEU 30 HD13 LEU 30 -6.929 1.440 3.533 216 HD21 LEU 30 HD21 LEU 30 -8.545 0.188 1.429 217 HD22 LEU 30 HD22 LEU 30 -9.240 1.182 2.710 218 HD23 LEU 30 HD23 LEU 30 -9.881 -0.433 2.399 219 H GLU 31 H GLU 31 -7.970 -3.384 0.793 220 HA GLU 31 HA GLU 31 -10.010 -2.002 -0.700 221 HB2 GLU 31 HB2 GLU 31 -7.467 -2.121 -1.201 222 HB3 GLU 31 HB3 GLU 31 -7.832 -3.707 -1.892 223 HG2 GLU 31 HG2 GLU 31 -9.205 -1.182 -2.813 224 HG3 GLU 31 HG3 GLU 31 -7.690 -1.764 -3.513 225 H ARG 32 H ARG 32 -9.111 -5.370 -0.125 226 HA ARG 32 HA ARG 32 -11.226 -6.234 -1.967 227 HB2 ARG 32 HB2 ARG 32 -9.017 -7.798 -0.592 228 HB3 ARG 32 HB3 ARG 32 -10.305 -8.568 -1.512 229 HG2 ARG 32 HG2 ARG 32 -8.281 -6.599 -2.637 230 HG3 ARG 32 HG3 ARG 32 -8.184 -8.351 -2.794 231 HD2 ARG 32 HD2 ARG 32 -9.044 -7.558 -4.836 232 HD3 ARG 32 HD3 ARG 32 -10.434 -8.222 -3.993 233 HE ARG 32 HE ARG 32 -9.820 -5.328 -4.069 234 HH11 ARG 32 HH11 ARG 32 -12.122 -7.974 -4.303 235 HH12 ARG 32 HH12 ARG 32 -13.470 -6.924 -4.602 236 HH21 ARG 32 HH21 ARG 32 -11.589 -3.967 -4.453 237 HH22 ARG 32 HH22 ARG 32 -13.176 -4.653 -4.667 238 H SER 33 H SER 33 -12.664 -7.996 -1.258 239 HA SER 33 HA SER 33 -13.110 -8.138 1.620 240 HB2 SER 33 HB2 SER 33 -15.623 -7.694 1.124 241 HB3 SER 33 HB3 SER 33 -14.536 -6.305 1.189 242 HG SER 33 HG SER 33 -15.338 -7.655 -1.185 Start of MODEL 48 1 HA ALA 1 HA ALA 1 -16.310 1.921 -0.369 2 HB1 ALA 1 HB1 ALA 1 -17.307 2.598 -2.496 3 HB2 ALA 1 HB2 ALA 1 -18.474 3.597 -1.633 4 HB3 ALA 1 HB3 ALA 1 -18.500 1.845 -1.441 5 H SER 2 H SER 2 -14.437 2.806 -1.011 6 HA SER 2 HA SER 2 -14.110 5.559 -1.673 7 HB2 SER 2 HB2 SER 2 -14.354 5.689 0.860 8 HB3 SER 2 HB3 SER 2 -12.872 4.740 0.975 9 HG SER 2 HG SER 2 -13.109 7.235 -0.365 10 HA PRO 3 HA PRO 3 -10.927 2.551 -3.298 11 HB2 PRO 3 HB2 PRO 3 -11.133 4.461 -5.568 12 HB3 PRO 3 HB3 PRO 3 -11.098 2.682 -5.580 13 HG2 PRO 3 HG2 PRO 3 -13.367 4.000 -6.033 14 HG3 PRO 3 HG3 PRO 3 -13.348 2.501 -5.081 15 HD2 PRO 3 HD2 PRO 3 -13.584 5.343 -4.108 16 HD3 PRO 3 HD3 PRO 3 -14.391 3.859 -3.511 17 H GLN 4 H GLN 4 -11.088 5.963 -2.799 18 HA GLN 4 HA GLN 4 -8.394 6.579 -3.476 19 HB2 GLN 4 HB2 GLN 4 -10.416 8.022 -1.763 20 HB3 GLN 4 HB3 GLN 4 -8.805 8.651 -2.080 21 HG2 GLN 4 HG2 GLN 4 -9.270 8.781 -4.456 22 HG3 GLN 4 HG3 GLN 4 -10.839 8.016 -4.222 23 HE21 GLN 4 HE21 GLN 4 -9.557 10.362 -1.994 24 HE22 GLN 4 HE22 GLN 4 -10.661 11.635 -2.389 25 H GLN 5 H GLN 5 -9.985 5.477 -0.568 26 HA GLN 5 HA GLN 5 -7.848 5.920 1.228 27 HB2 GLN 5 HB2 GLN 5 -10.069 3.871 1.289 28 HB3 GLN 5 HB3 GLN 5 -8.912 4.077 2.591 29 HG2 GLN 5 HG2 GLN 5 -9.687 6.386 2.908 30 HG3 GLN 5 HG3 GLN 5 -10.865 6.162 1.617 31 HE21 GLN 5 HE21 GLN 5 -10.040 3.660 3.919 32 HE22 GLN 5 HE22 GLN 5 -11.561 3.654 4.745 33 H ALA 6 H ALA 6 -8.709 3.194 -0.812 34 HA ALA 6 HA ALA 6 -6.576 1.506 -0.027 35 HB1 ALA 6 HB1 ALA 6 -8.581 0.669 -1.187 36 HB2 ALA 6 HB2 ALA 6 -7.093 0.211 -2.017 37 HB3 ALA 6 HB3 ALA 6 -8.081 1.528 -2.645 38 H LYS 7 H LYS 7 -6.964 3.909 -2.571 39 HA LYS 7 HA LYS 7 -4.502 3.467 -3.859 40 HB2 LYS 7 HB2 LYS 7 -6.282 4.743 -4.925 41 HB3 LYS 7 HB3 LYS 7 -6.184 5.978 -3.679 42 HG2 LYS 7 HG2 LYS 7 -5.113 6.730 -5.708 43 HG3 LYS 7 HG3 LYS 7 -3.916 6.538 -4.400 44 HD2 LYS 7 HD2 LYS 7 -3.376 4.268 -5.350 45 HD3 LYS 7 HD3 LYS 7 -4.416 4.652 -6.729 46 HE2 LYS 7 HE2 LYS 7 -2.052 5.108 -7.242 47 HE3 LYS 7 HE3 LYS 7 -3.009 6.590 -7.248 48 HZ1 LYS 7 HZ1 LYS 7 -1.250 5.650 -5.052 49 HZ2 LYS 7 HZ2 LYS 7 -2.216 7.037 -4.985 50 HZ3 LYS 7 HZ3 LYS 7 -0.946 6.945 -6.097 51 H TYR 8 H TYR 8 -5.403 5.458 -1.092 52 HA TYR 8 HA TYR 8 -2.949 6.787 -0.745 53 HB2 TYR 8 HB2 TYR 8 -4.995 7.454 0.455 54 HB3 TYR 8 HB3 TYR 8 -4.962 5.937 1.355 55 HD1 TYR 8 HD1 TYR 8 -3.598 5.674 3.279 56 HD2 TYR 8 HD2 TYR 8 -3.192 9.141 0.851 57 HE1 TYR 8 HE1 TYR 8 -2.192 6.708 5.007 58 HE2 TYR 8 HE2 TYR 8 -1.787 10.190 2.576 59 HH TYR 8 HH TYR 8 -0.419 8.468 5.120 60 H CYS 9 H CYS 9 -4.127 3.676 0.439 61 HA CYS 9 HA CYS 9 -1.921 3.074 2.096 62 HB2 CYS 9 HB2 CYS 9 -4.117 1.902 2.216 63 HB3 CYS 9 HB3 CYS 9 -3.767 1.122 0.668 64 H TYR 10 H TYR 10 -2.667 2.136 -1.249 65 HA TYR 10 HA TYR 10 -0.248 0.721 -1.661 66 HB2 TYR 10 HB2 TYR 10 -2.322 1.861 -3.540 67 HB3 TYR 10 HB3 TYR 10 -0.849 1.094 -4.143 68 HD1 TYR 10 HD1 TYR 10 -4.160 0.544 -2.807 69 HD2 TYR 10 HD2 TYR 10 -0.392 -1.285 -3.540 70 HE1 TYR 10 HE1 TYR 10 -5.198 -1.671 -2.605 71 HE2 TYR 10 HE2 TYR 10 -1.417 -3.495 -3.339 72 HH TYR 10 HH TYR 10 -3.391 -4.521 -2.283 73 H GLU 11 H GLU 11 -1.092 4.103 -1.936 74 HA GLU 11 HA GLU 11 1.221 4.817 -3.411 75 HB2 GLU 11 HB2 GLU 11 -0.750 6.293 -3.331 76 HB3 GLU 11 HB3 GLU 11 -0.488 6.551 -1.595 77 HG2 GLU 11 HG2 GLU 11 1.626 7.646 -2.052 78 HG3 GLU 11 HG3 GLU 11 1.431 7.334 -3.791 79 H GLN 12 H GLN 12 0.446 4.985 0.084 80 HA GLN 12 HA GLN 12 2.970 6.151 0.687 81 HB2 GLN 12 HB2 GLN 12 0.879 4.948 2.510 82 HB3 GLN 12 HB3 GLN 12 2.306 5.802 3.055 83 HG2 GLN 12 HG2 GLN 12 0.460 7.120 1.140 84 HG3 GLN 12 HG3 GLN 12 0.041 7.029 2.842 85 HE21 GLN 12 HE21 GLN 12 3.349 7.282 1.810 86 HE22 GLN 12 HE22 GLN 12 3.597 8.916 2.334 87 H CYS 13 H CYS 13 1.832 2.859 0.493 88 HA CYS 13 HA CYS 13 3.801 1.685 2.146 89 HB2 CYS 13 HB2 CYS 13 3.197 -0.423 1.105 90 HB3 CYS 13 HB3 CYS 13 1.718 0.519 1.336 91 H ASN 14 H ASN 14 3.694 2.133 -1.386 92 HA ASN 14 HA ASN 14 6.403 1.274 -1.746 93 HB2 ASN 14 HB2 ASN 14 4.731 1.117 -3.563 94 HB3 ASN 14 HB3 ASN 14 4.641 2.872 -3.634 95 HD21 ASN 14 HD21 ASN 14 7.626 1.032 -3.188 96 HD22 ASN 14 HD22 ASN 14 8.313 1.476 -4.715 97 H VAL 15 H VAL 15 4.889 4.383 -1.117 98 HA VAL 15 HA VAL 15 7.088 6.011 -1.789 99 HB VAL 15 HB VAL 15 4.847 6.447 0.190 100 HG11 VAL 15 HG11 VAL 15 6.759 7.700 1.003 101 HG12 VAL 15 HG12 VAL 15 5.587 8.810 0.288 102 HG13 VAL 15 HG13 VAL 15 7.040 8.365 -0.606 103 HG21 VAL 15 HG21 VAL 15 4.073 8.077 -1.469 104 HG22 VAL 15 HG22 VAL 15 4.220 6.471 -2.180 105 HG23 VAL 15 HG23 VAL 15 5.451 7.691 -2.499 106 H ASN 16 H ASN 16 6.225 4.296 1.203 107 HA ASN 16 HA ASN 16 8.489 5.366 2.624 108 HB2 ASN 16 HB2 ASN 16 6.589 3.076 3.215 109 HB3 ASN 16 HB3 ASN 16 7.979 3.441 4.234 110 HD21 ASN 16 HD21 ASN 16 6.193 5.958 2.650 111 HD22 ASN 16 HD22 ASN 16 5.457 6.597 4.079 112 H LYS 17 H LYS 17 7.862 1.902 2.175 113 HA LYS 17 HA LYS 17 9.656 1.339 0.195 114 HB2 LYS 17 HB2 LYS 17 11.514 0.232 1.563 115 HB3 LYS 17 HB3 LYS 17 11.562 1.988 1.372 116 HG2 LYS 17 HG2 LYS 17 10.544 2.199 3.628 117 HG3 LYS 17 HG3 LYS 17 10.660 0.441 3.808 118 HD2 LYS 17 HD2 LYS 17 13.120 0.587 3.466 119 HD3 LYS 17 HD3 LYS 17 12.963 2.347 3.302 120 HE2 LYS 17 HE2 LYS 17 12.152 0.806 5.767 121 HE3 LYS 17 HE3 LYS 17 13.714 1.596 5.561 122 HZ1 LYS 17 HZ1 LYS 17 12.546 3.710 5.282 123 HZ2 LYS 17 HZ2 LYS 17 12.211 3.007 6.782 124 HZ3 LYS 17 HZ3 LYS 17 11.065 2.935 5.543 125 H VAL 18 H VAL 18 7.790 -0.097 -0.176 126 HA VAL 18 HA VAL 18 8.343 -2.669 1.091 127 HB VAL 18 HB VAL 18 6.257 -3.177 1.896 128 HG11 VAL 18 HG11 VAL 18 5.277 -1.354 3.140 129 HG12 VAL 18 HG12 VAL 18 6.112 -0.174 2.131 130 HG13 VAL 18 HG13 VAL 18 7.037 -1.246 3.180 131 HG21 VAL 18 HG21 VAL 18 5.025 -1.183 0.005 132 HG22 VAL 18 HG22 VAL 18 4.141 -2.243 1.111 133 HG23 VAL 18 HG23 VAL 18 5.102 -2.935 -0.203 134 HA PRO 19 HA PRO 19 7.732 -4.092 -3.132 135 HB2 PRO 19 HB2 PRO 19 7.043 -6.689 -1.926 136 HB3 PRO 19 HB3 PRO 19 8.378 -6.281 -3.019 137 HG2 PRO 19 HG2 PRO 19 8.810 -6.852 -0.430 138 HG3 PRO 19 HG3 PRO 19 9.775 -5.649 -1.307 139 HD2 PRO 19 HD2 PRO 19 7.520 -5.206 0.628 140 HD3 PRO 19 HD3 PRO 19 9.056 -4.326 0.440 141 H PHE 20 H PHE 20 5.960 -4.809 -4.499 142 HA PHE 20 HA PHE 20 3.492 -3.790 -3.725 143 HB2 PHE 20 HB2 PHE 20 4.096 -4.086 -6.093 144 HB3 PHE 20 HB3 PHE 20 3.974 -5.834 -5.907 145 HD1 PHE 20 HD1 PHE 20 1.862 -6.938 -5.912 146 HD2 PHE 20 HD2 PHE 20 2.069 -2.687 -5.907 147 HE1 PHE 20 HE1 PHE 20 -0.547 -6.822 -6.402 148 HE2 PHE 20 HE2 PHE 20 -0.338 -2.566 -6.399 149 HZ PHE 20 HZ PHE 20 -1.648 -4.635 -6.646 150 H ASP 21 H ASP 21 4.575 -7.169 -3.729 151 HA ASP 21 HA ASP 21 2.129 -8.357 -3.093 152 HB2 ASP 21 HB2 ASP 21 3.497 -10.245 -2.201 153 HB3 ASP 21 HB3 ASP 21 3.980 -9.727 -3.814 154 H GLN 22 H GLN 22 4.642 -7.052 -0.945 155 HA GLN 22 HA GLN 22 3.283 -7.727 1.458 156 HB2 GLN 22 HB2 GLN 22 5.666 -7.237 1.474 157 HB3 GLN 22 HB3 GLN 22 5.358 -5.592 0.920 158 HG2 GLN 22 HG2 GLN 22 5.813 -5.662 3.307 159 HG3 GLN 22 HG3 GLN 22 4.171 -5.094 2.973 160 HE21 GLN 22 HE21 GLN 22 5.095 -8.464 2.777 161 HE22 GLN 22 HE22 GLN 22 4.175 -8.987 4.146 162 H CYS 23 H CYS 23 3.291 -4.881 -0.640 163 HA CYS 23 HA CYS 23 1.669 -3.249 0.998 164 HB2 CYS 23 HB2 CYS 23 2.911 -2.469 -1.086 165 HB3 CYS 23 HB3 CYS 23 1.629 -3.231 -2.031 166 H TYR 24 H TYR 24 0.890 -5.610 -1.505 167 HA TYR 24 HA TYR 24 -1.890 -5.351 -1.461 168 HB2 TYR 24 HB2 TYR 24 -0.470 -6.721 -3.094 169 HB3 TYR 24 HB3 TYR 24 -0.428 -7.975 -1.846 170 HD1 TYR 24 HD1 TYR 24 -2.495 -9.150 -1.202 171 HD2 TYR 24 HD2 TYR 24 -2.432 -6.333 -4.385 172 HE1 TYR 24 HE1 TYR 24 -4.632 -10.034 -2.017 173 HE2 TYR 24 HE2 TYR 24 -4.572 -7.207 -5.210 174 HH TYR 24 HH TYR 24 -5.885 -9.287 -5.083 175 H GLN 25 H GLN 25 0.308 -7.158 0.638 176 HA GLN 25 HA GLN 25 -1.644 -8.729 1.920 177 HB2 GLN 25 HB2 GLN 25 0.750 -9.264 2.081 178 HB3 GLN 25 HB3 GLN 25 1.051 -7.747 2.923 179 HG2 GLN 25 HG2 GLN 25 -0.388 -8.535 4.783 180 HG3 GLN 25 HG3 GLN 25 -0.556 -10.081 3.955 181 HE21 GLN 25 HE21 GLN 25 0.592 -9.412 6.568 182 HE22 GLN 25 HE22 GLN 25 2.217 -10.019 6.539 183 H MET 26 H MET 26 -0.353 -5.519 2.610 184 HA MET 26 HA MET 26 -1.799 -5.322 5.091 185 HB2 MET 26 HB2 MET 26 0.329 -4.249 5.024 186 HB3 MET 26 HB3 MET 26 -0.069 -3.420 3.530 187 HG2 MET 26 HG2 MET 26 -1.717 -2.051 4.728 188 HG3 MET 26 HG3 MET 26 -1.299 -2.876 6.230 189 HE1 MET 26 HE1 MET 26 1.719 -0.247 3.906 190 HE2 MET 26 HE2 MET 26 0.136 -0.706 3.279 191 HE3 MET 26 HE3 MET 26 1.401 -1.921 3.462 192 H CYS 27 H CYS 27 -2.084 -3.920 1.844 193 HA CYS 27 HA CYS 27 -4.250 -2.209 2.669 194 HB2 CYS 27 HB2 CYS 27 -3.281 -2.775 -0.151 195 HB3 CYS 27 HB3 CYS 27 -4.272 -1.406 0.391 196 H SER 28 H SER 28 -4.086 -5.441 1.383 197 HA SER 28 HA SER 28 -6.502 -5.452 -0.015 198 HB2 SER 28 HB2 SER 28 -6.497 -7.961 0.382 199 HB3 SER 28 HB3 SER 28 -5.087 -7.279 -0.437 200 HG SER 28 HG SER 28 -3.871 -7.676 1.276 201 HA PRO 29 HA PRO 29 -8.704 -6.989 4.123 202 HB2 PRO 29 HB2 PRO 29 -7.059 -5.351 5.992 203 HB3 PRO 29 HB3 PRO 29 -7.841 -6.920 6.261 204 HG2 PRO 29 HG2 PRO 29 -5.222 -6.827 5.884 205 HG3 PRO 29 HG3 PRO 29 -6.191 -8.095 5.086 206 HD2 PRO 29 HD2 PRO 29 -5.061 -5.557 3.927 207 HD3 PRO 29 HD3 PRO 29 -5.134 -7.191 3.219 208 H LEU 30 H LEU 30 -7.374 -3.896 3.381 209 HA LEU 30 HA LEU 30 -9.499 -2.343 4.561 210 HB2 LEU 30 HB2 LEU 30 -7.058 -1.610 4.127 211 HB3 LEU 30 HB3 LEU 30 -7.542 -1.457 2.430 212 HG LEU 30 HG LEU 30 -8.625 0.151 4.768 213 HD11 LEU 30 HD11 LEU 30 -7.518 2.023 3.615 214 HD12 LEU 30 HD12 LEU 30 -6.863 0.890 2.431 215 HD13 LEU 30 HD13 LEU 30 -6.371 0.781 4.121 216 HD21 LEU 30 HD21 LEU 30 -10.361 -0.240 3.052 217 HD22 LEU 30 HD22 LEU 30 -9.273 0.412 1.825 218 HD23 LEU 30 HD23 LEU 30 -9.858 1.452 3.125 219 H GLU 31 H GLU 31 -8.390 -2.997 1.274 220 HA GLU 31 HA GLU 31 -10.631 -1.796 0.026 221 HB2 GLU 31 HB2 GLU 31 -8.367 -2.010 -1.000 222 HB3 GLU 31 HB3 GLU 31 -8.640 -3.750 -1.153 223 HG2 GLU 31 HG2 GLU 31 -10.552 -1.823 -2.430 224 HG3 GLU 31 HG3 GLU 31 -9.005 -2.192 -3.203 225 H ARG 32 H ARG 32 -9.916 -5.094 0.997 226 HA ARG 32 HA ARG 32 -12.633 -5.845 0.203 227 HB2 ARG 32 HB2 ARG 32 -11.016 -6.500 -1.629 228 HB3 ARG 32 HB3 ARG 32 -10.185 -7.519 -0.452 229 HG2 ARG 32 HG2 ARG 32 -11.609 -8.922 -1.793 230 HG3 ARG 32 HG3 ARG 32 -12.281 -8.832 -0.164 231 HD2 ARG 32 HD2 ARG 32 -13.807 -8.586 -2.294 232 HD3 ARG 32 HD3 ARG 32 -14.124 -7.644 -0.842 233 HE ARG 32 HE ARG 32 -12.399 -6.167 -2.481 234 HH11 ARG 32 HH11 ARG 32 -15.683 -7.386 -2.585 235 HH12 ARG 32 HH12 ARG 32 -16.273 -6.055 -3.528 236 HH21 ARG 32 HH21 ARG 32 -13.156 -4.420 -3.693 237 HH22 ARG 32 HH22 ARG 32 -14.832 -4.365 -4.172 238 H SER 33 H SER 33 -13.585 -7.357 1.545 239 HA SER 33 HA SER 33 -12.059 -8.067 3.934 240 HB2 SER 33 HB2 SER 33 -14.481 -8.926 4.585 241 HB3 SER 33 HB3 SER 33 -14.102 -7.202 4.644 242 HG SER 33 HG SER 33 -15.662 -8.635 2.812 Start of MODEL 49 1 HA ALA 1 HA ALA 1 -16.041 1.141 3.263 2 HB1 ALA 1 HB1 ALA 1 -13.182 0.335 2.740 3 HB2 ALA 1 HB2 ALA 1 -14.416 -0.688 3.474 4 HB3 ALA 1 HB3 ALA 1 -13.875 0.772 4.300 5 H SER 2 H SER 2 -13.221 1.926 1.233 6 HA SER 2 HA SER 2 -13.861 4.689 1.029 7 HB2 SER 2 HB2 SER 2 -13.148 4.645 3.431 8 HB3 SER 2 HB3 SER 2 -11.591 3.993 2.927 9 HG SER 2 HG SER 2 -11.724 6.346 3.248 10 HA PRO 3 HA PRO 3 -11.160 2.759 -2.221 11 HB2 PRO 3 HB2 PRO 3 -12.339 5.075 -3.683 12 HB3 PRO 3 HB3 PRO 3 -12.116 3.393 -4.214 13 HG2 PRO 3 HG2 PRO 3 -14.522 4.263 -3.519 14 HG3 PRO 3 HG3 PRO 3 -13.971 2.640 -3.052 15 HD2 PRO 3 HD2 PRO 3 -14.191 5.112 -1.349 16 HD3 PRO 3 HD3 PRO 3 -14.506 3.399 -0.929 17 H GLN 4 H GLN 4 -11.437 6.094 -1.149 18 HA GLN 4 HA GLN 4 -9.102 7.043 -2.460 19 HB2 GLN 4 HB2 GLN 4 -10.615 8.098 -0.075 20 HB3 GLN 4 HB3 GLN 4 -9.200 8.898 -0.736 21 HG2 GLN 4 HG2 GLN 4 -10.353 9.227 -2.865 22 HG3 GLN 4 HG3 GLN 4 -11.766 8.379 -2.238 23 HE21 GLN 4 HE21 GLN 4 -9.856 10.503 -0.247 24 HE22 GLN 4 HE22 GLN 4 -11.038 11.761 -0.117 25 H GLN 5 H GLN 5 -9.683 5.967 0.885 26 HA GLN 5 HA GLN 5 -7.024 6.419 1.716 27 HB2 GLN 5 HB2 GLN 5 -7.557 5.393 3.744 28 HB3 GLN 5 HB3 GLN 5 -9.090 6.057 3.205 29 HG2 GLN 5 HG2 GLN 5 -9.766 3.854 2.401 30 HG3 GLN 5 HG3 GLN 5 -8.221 3.190 2.915 31 HE21 GLN 5 HE21 GLN 5 -8.150 4.807 5.354 32 HE22 GLN 5 HE22 GLN 5 -9.293 4.083 6.433 33 H ALA 6 H ALA 6 -8.637 3.668 0.300 34 HA ALA 6 HA ALA 6 -6.499 1.837 0.581 35 HB1 ALA 6 HB1 ALA 6 -7.608 0.531 -1.163 36 HB2 ALA 6 HB2 ALA 6 -8.686 1.886 -1.489 37 HB3 ALA 6 HB3 ALA 6 -8.749 1.066 0.073 38 H LYS 7 H LYS 7 -7.412 4.114 -1.953 39 HA LYS 7 HA LYS 7 -5.423 3.399 -3.813 40 HB2 LYS 7 HB2 LYS 7 -7.446 4.842 -4.250 41 HB3 LYS 7 HB3 LYS 7 -6.630 6.145 -3.402 42 HG2 LYS 7 HG2 LYS 7 -6.387 6.466 -5.761 43 HG3 LYS 7 HG3 LYS 7 -4.801 6.044 -5.066 44 HD2 LYS 7 HD2 LYS 7 -5.008 3.765 -5.859 45 HD3 LYS 7 HD3 LYS 7 -6.670 4.049 -6.389 46 HE2 LYS 7 HE2 LYS 7 -4.173 5.320 -7.528 47 HE3 LYS 7 HE3 LYS 7 -5.173 4.096 -8.312 48 HZ1 LYS 7 HZ1 LYS 7 -7.020 5.699 -8.280 49 HZ2 LYS 7 HZ2 LYS 7 -5.700 6.254 -9.178 50 HZ3 LYS 7 HZ3 LYS 7 -5.986 6.871 -7.633 51 H TYR 8 H TYR 8 -5.472 5.657 -1.109 52 HA TYR 8 HA TYR 8 -2.874 6.702 -1.532 53 HB2 TYR 8 HB2 TYR 8 -4.604 7.826 -0.137 54 HB3 TYR 8 HB3 TYR 8 -4.407 6.547 1.066 55 HD1 TYR 8 HD1 TYR 8 -2.546 9.226 -0.705 56 HD2 TYR 8 HD2 TYR 8 -2.757 6.704 2.709 57 HE1 TYR 8 HE1 TYR 8 -0.696 10.476 0.324 58 HE2 TYR 8 HE2 TYR 8 -0.907 7.944 3.747 59 HH TYR 8 HH TYR 8 0.219 10.932 2.527 60 H CYS 9 H CYS 9 -4.130 3.995 0.355 61 HA CYS 9 HA CYS 9 -1.799 3.288 1.729 62 HB2 CYS 9 HB2 CYS 9 -4.085 2.276 2.084 63 HB3 CYS 9 HB3 CYS 9 -3.836 1.333 0.608 64 H TYR 10 H TYR 10 -2.949 2.260 -1.466 65 HA TYR 10 HA TYR 10 -0.688 0.635 -2.043 66 HB2 TYR 10 HB2 TYR 10 -2.889 1.819 -3.739 67 HB3 TYR 10 HB3 TYR 10 -1.540 0.940 -4.466 68 HD1 TYR 10 HD1 TYR 10 -4.681 0.647 -2.674 69 HD2 TYR 10 HD2 TYR 10 -1.166 -1.433 -3.867 70 HE1 TYR 10 HE1 TYR 10 -5.807 -1.489 -2.254 71 HE2 TYR 10 HE2 TYR 10 -2.284 -3.567 -3.455 72 HH TYR 10 HH TYR 10 -4.137 -4.448 -2.110 73 H GLU 11 H GLU 11 -1.235 4.027 -2.210 74 HA GLU 11 HA GLU 11 0.953 4.519 -4.004 75 HB2 GLU 11 HB2 GLU 11 -0.922 6.089 -3.942 76 HB3 GLU 11 HB3 GLU 11 -0.606 6.423 -2.228 77 HG2 GLU 11 HG2 GLU 11 1.593 7.343 -2.848 78 HG3 GLU 11 HG3 GLU 11 1.188 7.083 -4.560 79 H GLN 12 H GLN 12 0.419 4.891 -0.480 80 HA GLN 12 HA GLN 12 3.058 5.952 -0.172 81 HB2 GLN 12 HB2 GLN 12 2.546 6.230 2.163 82 HB3 GLN 12 HB3 GLN 12 1.198 6.796 1.195 83 HG2 GLN 12 HG2 GLN 12 -0.167 5.066 1.851 84 HG3 GLN 12 HG3 GLN 12 1.188 4.025 2.270 85 HE21 GLN 12 HE21 GLN 12 2.568 6.093 3.775 86 HE22 GLN 12 HE22 GLN 12 1.683 6.290 5.251 87 H CYS 13 H CYS 13 1.763 2.802 -0.164 88 HA CYS 13 HA CYS 13 3.239 1.588 1.879 89 HB2 CYS 13 HB2 CYS 13 2.834 -0.530 0.648 90 HB3 CYS 13 HB3 CYS 13 1.369 0.455 0.759 91 H ASN 14 H ASN 14 4.034 1.665 -1.618 92 HA ASN 14 HA ASN 14 6.690 0.744 -1.145 93 HB2 ASN 14 HB2 ASN 14 7.094 1.396 -3.545 94 HB3 ASN 14 HB3 ASN 14 5.776 0.268 -3.287 95 HD21 ASN 14 HD21 ASN 14 5.736 3.820 -2.907 96 HD22 ASN 14 HD22 ASN 14 4.542 4.083 -4.133 97 H VAL 15 H VAL 15 5.220 3.873 -1.173 98 HA VAL 15 HA VAL 15 7.512 5.470 -1.518 99 HB VAL 15 HB VAL 15 4.913 5.996 -0.081 100 HG11 VAL 15 HG11 VAL 15 6.641 7.360 0.976 101 HG12 VAL 15 HG12 VAL 15 5.536 8.357 0.031 102 HG13 VAL 15 HG13 VAL 15 7.134 7.968 -0.604 103 HG21 VAL 15 HG21 VAL 15 4.768 5.806 -2.512 104 HG22 VAL 15 HG22 VAL 15 6.026 7.028 -2.690 105 HG23 VAL 15 HG23 VAL 15 4.467 7.464 -1.993 106 H ASN 16 H ASN 16 5.988 4.091 1.374 107 HA ASN 16 HA ASN 16 7.879 5.208 3.195 108 HB2 ASN 16 HB2 ASN 16 6.105 2.757 3.505 109 HB3 ASN 16 HB3 ASN 16 6.986 3.562 4.809 110 HD21 ASN 16 HD21 ASN 16 6.468 6.228 3.758 111 HD22 ASN 16 HD22 ASN 16 4.807 6.555 4.111 112 H LYS 17 H LYS 17 7.439 1.720 2.640 113 HA LYS 17 HA LYS 17 9.708 1.254 1.151 114 HB2 LYS 17 HB2 LYS 17 10.901 2.032 3.226 115 HB3 LYS 17 HB3 LYS 17 10.233 0.619 4.057 116 HG2 LYS 17 HG2 LYS 17 11.414 -0.870 2.539 117 HG3 LYS 17 HG3 LYS 17 12.042 0.516 1.639 118 HD2 LYS 17 HD2 LYS 17 13.260 1.298 3.568 119 HD3 LYS 17 HD3 LYS 17 12.573 0.014 4.586 120 HE2 LYS 17 HE2 LYS 17 13.673 -1.657 3.126 121 HE3 LYS 17 HE3 LYS 17 14.395 -0.347 2.196 122 HZ1 LYS 17 HZ1 LYS 17 14.854 -0.893 5.077 123 HZ2 LYS 17 HZ2 LYS 17 15.528 0.390 4.205 124 HZ3 LYS 17 HZ3 LYS 17 15.942 -1.202 3.820 125 H VAL 18 H VAL 18 7.968 -0.152 0.274 126 HA VAL 18 HA VAL 18 8.221 -2.792 1.469 127 HB VAL 18 HB VAL 18 5.998 -3.335 1.775 128 HG11 VAL 18 HG11 VAL 18 6.566 -1.637 3.427 129 HG12 VAL 18 HG12 VAL 18 4.847 -1.613 3.031 130 HG13 VAL 18 HG13 VAL 18 5.922 -0.380 2.368 131 HG21 VAL 18 HG21 VAL 18 5.262 -2.761 -0.455 132 HG22 VAL 18 HG22 VAL 18 5.168 -1.055 -0.009 133 HG23 VAL 18 HG23 VAL 18 4.088 -2.229 0.752 134 HA PRO 19 HA PRO 19 8.130 -3.918 -2.905 135 HB2 PRO 19 HB2 PRO 19 7.435 -6.611 -1.987 136 HB3 PRO 19 HB3 PRO 19 8.889 -6.069 -2.845 137 HG2 PRO 19 HG2 PRO 19 8.960 -6.852 -0.264 138 HG3 PRO 19 HG3 PRO 19 10.021 -5.584 -0.911 139 HD2 PRO 19 HD2 PRO 19 7.506 -5.291 0.709 140 HD3 PRO 19 HD3 PRO 19 9.045 -4.400 0.816 141 H PHE 20 H PHE 20 6.480 -4.624 -4.450 142 HA PHE 20 HA PHE 20 3.961 -3.630 -3.867 143 HB2 PHE 20 HB2 PHE 20 4.846 -4.006 -6.174 144 HB3 PHE 20 HB3 PHE 20 4.514 -5.724 -5.976 145 HD1 PHE 20 HD1 PHE 20 2.268 -6.579 -6.073 146 HD2 PHE 20 HD2 PHE 20 3.022 -2.397 -6.308 147 HE1 PHE 20 HE1 PHE 20 -0.047 -6.208 -6.818 148 HE2 PHE 20 HE2 PHE 20 0.708 -2.018 -7.050 149 HZ PHE 20 HZ PHE 20 -0.831 -3.924 -7.305 150 H ASP 21 H ASP 21 5.061 -6.985 -3.690 151 HA ASP 21 HA ASP 21 2.572 -8.200 -3.295 152 HB2 ASP 21 HB2 ASP 21 3.843 -10.064 -2.271 153 HB3 ASP 21 HB3 ASP 21 4.518 -9.543 -3.811 154 H GLN 22 H GLN 22 4.857 -6.846 -0.923 155 HA GLN 22 HA GLN 22 3.273 -7.483 1.337 156 HB2 GLN 22 HB2 GLN 22 5.637 -6.890 1.578 157 HB3 GLN 22 HB3 GLN 22 5.305 -5.264 0.988 158 HG2 GLN 22 HG2 GLN 22 3.803 -4.918 2.926 159 HG3 GLN 22 HG3 GLN 22 4.287 -6.505 3.534 160 HE21 GLN 22 HE21 GLN 22 7.042 -6.214 2.648 161 HE22 GLN 22 HE22 GLN 22 7.784 -5.100 3.748 162 H CYS 23 H CYS 23 3.385 -4.739 -0.858 163 HA CYS 23 HA CYS 23 1.658 -3.007 0.524 164 HB2 CYS 23 HB2 CYS 23 2.967 -2.372 -1.540 165 HB3 CYS 23 HB3 CYS 23 1.810 -3.305 -2.492 166 H TYR 24 H TYR 24 0.972 -5.577 -1.806 167 HA TYR 24 HA TYR 24 -1.819 -5.285 -1.802 168 HB2 TYR 24 HB2 TYR 24 -0.619 -6.658 -3.478 169 HB3 TYR 24 HB3 TYR 24 -0.207 -7.828 -2.212 170 HD1 TYR 24 HD1 TYR 24 -1.801 -9.426 -1.447 171 HD2 TYR 24 HD2 TYR 24 -2.971 -6.401 -4.194 172 HE1 TYR 24 HE1 TYR 24 -3.923 -10.598 -1.824 173 HE2 TYR 24 HE2 TYR 24 -5.094 -7.567 -4.584 174 HH TYR 24 HH TYR 24 -6.225 -10.046 -2.588 175 H GLN 25 H GLN 25 0.341 -7.066 0.362 176 HA GLN 25 HA GLN 25 -1.847 -8.538 1.509 177 HB2 GLN 25 HB2 GLN 25 1.076 -8.340 2.228 178 HB3 GLN 25 HB3 GLN 25 -0.068 -9.253 3.205 179 HG2 GLN 25 HG2 GLN 25 0.566 -9.763 0.286 180 HG3 GLN 25 HG3 GLN 25 1.105 -10.727 1.657 181 HE21 GLN 25 HE21 GLN 25 -1.421 -10.532 3.072 182 HE22 GLN 25 HE22 GLN 25 -2.534 -11.552 2.227 183 H MET 26 H MET 26 -0.316 -5.511 2.188 184 HA MET 26 HA MET 26 -1.538 -5.387 4.818 185 HB2 MET 26 HB2 MET 26 0.642 -4.383 4.620 186 HB3 MET 26 HB3 MET 26 0.121 -3.419 3.250 187 HG2 MET 26 HG2 MET 26 -1.420 -2.182 4.731 188 HG3 MET 26 HG3 MET 26 -0.814 -3.115 6.100 189 HE1 MET 26 HE1 MET 26 0.203 -0.672 3.201 190 HE2 MET 26 HE2 MET 26 1.492 -1.872 3.107 191 HE3 MET 26 HE3 MET 26 1.850 -0.236 3.653 192 H CYS 27 H CYS 27 -1.920 -3.805 1.648 193 HA CYS 27 HA CYS 27 -4.066 -2.161 2.666 194 HB2 CYS 27 HB2 CYS 27 -3.118 -2.464 -0.203 195 HB3 CYS 27 HB3 CYS 27 -4.163 -1.185 0.445 196 H SER 28 H SER 28 -3.885 -5.221 0.951 197 HA SER 28 HA SER 28 -6.428 -5.090 -0.244 198 HB2 SER 28 HB2 SER 28 -4.761 -6.776 -0.931 199 HB3 SER 28 HB3 SER 28 -5.027 -7.632 0.597 200 HG SER 28 HG SER 28 -7.059 -8.151 -0.035 201 HA PRO 29 HA PRO 29 -8.154 -7.417 3.767 202 HB2 PRO 29 HB2 PRO 29 -6.244 -6.093 5.647 203 HB3 PRO 29 HB3 PRO 29 -7.052 -7.669 5.789 204 HG2 PRO 29 HG2 PRO 29 -4.509 -7.593 5.086 205 HG3 PRO 29 HG3 PRO 29 -5.628 -8.688 4.234 206 HD2 PRO 29 HD2 PRO 29 -4.508 -6.046 3.335 207 HD3 PRO 29 HD3 PRO 29 -4.787 -7.534 2.400 208 H LEU 30 H LEU 30 -6.690 -4.234 3.803 209 HA LEU 30 HA LEU 30 -8.671 -2.879 5.294 210 HB2 LEU 30 HB2 LEU 30 -6.578 -1.788 5.062 211 HB3 LEU 30 HB3 LEU 30 -6.579 -2.012 3.303 212 HG LEU 30 HG LEU 30 -8.432 -0.383 3.118 213 HD11 LEU 30 HD11 LEU 30 -9.391 -0.642 5.346 214 HD12 LEU 30 HD12 LEU 30 -8.999 1.041 5.005 215 HD13 LEU 30 HD13 LEU 30 -7.954 0.092 6.059 216 HD21 LEU 30 HD21 LEU 30 -6.148 0.346 2.777 217 HD22 LEU 30 HD22 LEU 30 -5.939 0.597 4.511 218 HD23 LEU 30 HD23 LEU 30 -7.061 1.611 3.603 219 H GLU 31 H GLU 31 -8.134 -3.242 1.837 220 HA GLU 31 HA GLU 31 -10.411 -1.657 1.126 221 HB2 GLU 31 HB2 GLU 31 -8.256 -1.849 -0.178 222 HB3 GLU 31 HB3 GLU 31 -8.777 -3.470 -0.659 223 HG2 GLU 31 HG2 GLU 31 -10.408 -0.999 -1.245 224 HG3 GLU 31 HG3 GLU 31 -9.160 -1.613 -2.336 225 H ARG 32 H ARG 32 -9.661 -5.125 1.004 226 HA ARG 32 HA ARG 32 -12.289 -5.731 -0.047 227 HB2 ARG 32 HB2 ARG 32 -9.993 -7.509 0.814 228 HB3 ARG 32 HB3 ARG 32 -11.562 -8.165 0.356 229 HG2 ARG 32 HG2 ARG 32 -9.752 -6.505 -1.440 230 HG3 ARG 32 HG3 ARG 32 -9.916 -8.258 -1.499 231 HD2 ARG 32 HD2 ARG 32 -11.221 -7.311 -3.266 232 HD3 ARG 32 HD3 ARG 32 -12.340 -7.941 -2.064 233 HE ARG 32 HE ARG 32 -11.633 -5.073 -2.234 234 HH11 ARG 32 HH11 ARG 32 -14.041 -7.623 -1.985 235 HH12 ARG 32 HH12 ARG 32 -15.368 -6.517 -1.845 236 HH21 ARG 32 HH21 ARG 32 -13.362 -3.631 -2.012 237 HH22 ARG 32 HH22 ARG 32 -14.984 -4.244 -1.847 238 H SER 33 H SER 33 -13.829 -5.210 1.364 239 HA SER 33 HA SER 33 -13.743 -6.550 3.991 240 HB2 SER 33 HB2 SER 33 -15.245 -3.993 3.336 241 HB3 SER 33 HB3 SER 33 -15.038 -4.729 4.925 242 HG SER 33 HG SER 33 -13.053 -3.534 3.286 Start of MODEL 50 1 HA ALA 1 HA ALA 1 -16.165 3.006 0.974 2 HB1 ALA 1 HB1 ALA 1 -18.331 4.614 -0.372 3 HB2 ALA 1 HB2 ALA 1 -18.404 2.890 -0.003 4 HB3 ALA 1 HB3 ALA 1 -17.223 3.496 -1.164 5 H SER 2 H SER 2 -14.346 3.771 0.109 6 HA SER 2 HA SER 2 -14.012 6.415 -0.890 7 HB2 SER 2 HB2 SER 2 -14.002 6.843 1.621 8 HB3 SER 2 HB3 SER 2 -12.548 5.852 1.708 9 HG SER 2 HG SER 2 -12.884 8.247 0.215 10 HA PRO 3 HA PRO 3 -11.133 3.077 -2.529 11 HB2 PRO 3 HB2 PRO 3 -11.573 4.978 -4.802 12 HB3 PRO 3 HB3 PRO 3 -11.414 3.206 -4.830 13 HG2 PRO 3 HG2 PRO 3 -13.803 4.284 -5.066 14 HG3 PRO 3 HG3 PRO 3 -13.573 2.882 -4.000 15 HD2 PRO 3 HD2 PRO 3 -13.892 5.782 -3.242 16 HD3 PRO 3 HD3 PRO 3 -14.536 4.314 -2.443 17 H GLN 4 H GLN 4 -11.159 6.574 -2.531 18 HA GLN 4 HA GLN 4 -8.533 7.117 -3.266 19 HB2 GLN 4 HB2 GLN 4 -10.191 8.862 -3.106 20 HB3 GLN 4 HB3 GLN 4 -10.408 8.559 -1.389 21 HG2 GLN 4 HG2 GLN 4 -8.167 9.363 -0.934 22 HG3 GLN 4 HG3 GLN 4 -7.879 9.610 -2.657 23 HE21 GLN 4 HE21 GLN 4 -7.812 11.565 -0.487 24 HE22 GLN 4 HE22 GLN 4 -8.967 12.781 -0.911 25 H GLN 5 H GLN 5 -9.887 6.139 -0.179 26 HA GLN 5 HA GLN 5 -7.532 6.649 1.337 27 HB2 GLN 5 HB2 GLN 5 -9.944 4.934 1.903 28 HB3 GLN 5 HB3 GLN 5 -8.609 5.101 3.032 29 HG2 GLN 5 HG2 GLN 5 -9.002 7.532 3.116 30 HG3 GLN 5 HG3 GLN 5 -10.381 7.333 2.037 31 HE21 GLN 5 HE21 GLN 5 -11.190 4.805 3.269 32 HE22 GLN 5 HE22 GLN 5 -11.900 5.227 4.790 33 H ALA 6 H ALA 6 -8.853 3.786 -0.226 34 HA ALA 6 HA ALA 6 -6.823 2.004 0.597 35 HB1 ALA 6 HB1 ALA 6 -7.542 0.606 -1.305 36 HB2 ALA 6 HB2 ALA 6 -8.566 1.923 -1.866 37 HB3 ALA 6 HB3 ALA 6 -8.898 1.146 -0.318 38 H LYS 7 H LYS 7 -7.167 4.150 -2.173 39 HA LYS 7 HA LYS 7 -4.824 3.341 -3.516 40 HB2 LYS 7 HB2 LYS 7 -6.639 4.698 -4.547 41 HB3 LYS 7 HB3 LYS 7 -6.151 6.062 -3.550 42 HG2 LYS 7 HG2 LYS 7 -5.288 6.271 -5.813 43 HG3 LYS 7 HG3 LYS 7 -3.966 6.103 -4.628 44 HD2 LYS 7 HD2 LYS 7 -3.705 3.752 -5.207 45 HD3 LYS 7 HD3 LYS 7 -5.102 3.824 -6.287 46 HE2 LYS 7 HE2 LYS 7 -2.461 5.253 -6.626 47 HE3 LYS 7 HE3 LYS 7 -3.082 3.934 -7.619 48 HZ1 LYS 7 HZ1 LYS 7 -4.937 5.423 -8.252 49 HZ2 LYS 7 HZ2 LYS 7 -3.425 5.979 -8.762 50 HZ3 LYS 7 HZ3 LYS 7 -4.174 6.688 -7.424 51 H TYR 8 H TYR 8 -5.409 5.569 -0.876 52 HA TYR 8 HA TYR 8 -2.913 6.861 -0.871 53 HB2 TYR 8 HB2 TYR 8 -4.895 7.627 0.437 54 HB3 TYR 8 HB3 TYR 8 -4.662 6.256 1.526 55 HD1 TYR 8 HD1 TYR 8 -3.207 9.430 0.356 56 HD2 TYR 8 HD2 TYR 8 -3.001 6.315 3.242 57 HE1 TYR 8 HE1 TYR 8 -1.669 10.792 1.703 58 HE2 TYR 8 HE2 TYR 8 -1.459 7.667 4.600 59 HH TYR 8 HH TYR 8 -0.956 10.967 4.070 60 H CYS 9 H CYS 9 -4.033 3.907 0.753 61 HA CYS 9 HA CYS 9 -1.652 3.350 2.136 62 HB2 CYS 9 HB2 CYS 9 -3.634 2.081 2.703 63 HB3 CYS 9 HB3 CYS 9 -3.759 1.435 1.057 64 H TYR 10 H TYR 10 -2.753 2.242 -1.047 65 HA TYR 10 HA TYR 10 -0.420 0.716 -1.566 66 HB2 TYR 10 HB2 TYR 10 -2.685 1.685 -3.318 67 HB3 TYR 10 HB3 TYR 10 -1.314 0.783 -3.974 68 HD1 TYR 10 HD1 TYR 10 -4.382 0.573 -1.992 69 HD2 TYR 10 HD2 TYR 10 -0.929 -1.536 -3.308 70 HE1 TYR 10 HE1 TYR 10 -5.442 -1.543 -1.370 71 HE2 TYR 10 HE2 TYR 10 -1.986 -3.653 -2.691 72 HH TYR 10 HH TYR 10 -5.284 -3.928 -1.952 73 H GLU 11 H GLU 11 -1.280 4.059 -2.191 74 HA GLU 11 HA GLU 11 0.878 4.587 -3.949 75 HB2 GLU 11 HB2 GLU 11 -1.056 6.095 -3.818 76 HB3 GLU 11 HB3 GLU 11 -0.658 6.478 -2.130 77 HG2 GLU 11 HG2 GLU 11 1.483 7.447 -2.902 78 HG3 GLU 11 HG3 GLU 11 0.970 7.150 -4.580 79 H GLN 12 H GLN 12 0.481 5.018 -0.426 80 HA GLN 12 HA GLN 12 3.097 6.204 -0.241 81 HB2 GLN 12 HB2 GLN 12 1.139 5.501 1.955 82 HB3 GLN 12 HB3 GLN 12 2.578 6.485 2.128 83 HG2 GLN 12 HG2 GLN 12 0.519 7.256 0.133 84 HG3 GLN 12 HG3 GLN 12 0.251 7.586 1.835 85 HE21 GLN 12 HE21 GLN 12 3.448 7.629 0.500 86 HE22 GLN 12 HE22 GLN 12 3.671 9.345 0.564 87 H CYS 13 H CYS 13 1.837 3.003 0.059 88 HA CYS 13 HA CYS 13 3.552 2.018 2.060 89 HB2 CYS 13 HB2 CYS 13 3.003 -0.229 1.207 90 HB3 CYS 13 HB3 CYS 13 1.552 0.775 1.307 91 H ASN 14 H ASN 14 3.926 1.913 -1.492 92 HA ASN 14 HA ASN 14 6.567 0.836 -1.314 93 HB2 ASN 14 HB2 ASN 14 6.745 1.322 -3.711 94 HB3 ASN 14 HB3 ASN 14 5.233 0.511 -3.344 95 HD21 ASN 14 HD21 ASN 14 3.255 1.714 -3.564 96 HD22 ASN 14 HD22 ASN 14 3.226 3.228 -4.400 97 H VAL 15 H VAL 15 5.256 4.055 -1.298 98 HA VAL 15 HA VAL 15 7.634 5.443 -1.927 99 HB VAL 15 HB VAL 15 5.203 6.351 -0.370 100 HG11 VAL 15 HG11 VAL 15 7.104 7.717 0.279 101 HG12 VAL 15 HG12 VAL 15 6.028 8.647 -0.764 102 HG13 VAL 15 HG13 VAL 15 7.524 7.980 -1.412 103 HG21 VAL 15 HG21 VAL 15 4.744 5.822 -2.709 104 HG22 VAL 15 HG22 VAL 15 6.074 6.860 -3.218 105 HG23 VAL 15 HG23 VAL 15 4.656 7.564 -2.442 106 H ASN 16 H ASN 16 6.247 4.260 1.110 107 HA ASN 16 HA ASN 16 8.336 5.376 2.734 108 HB2 ASN 16 HB2 ASN 16 6.456 3.056 3.303 109 HB3 ASN 16 HB3 ASN 16 7.500 3.842 4.490 110 HD21 ASN 16 HD21 ASN 16 7.020 6.505 3.408 111 HD22 ASN 16 HD22 ASN 16 5.416 6.930 3.901 112 H LYS 17 H LYS 17 7.629 1.900 2.435 113 HA LYS 17 HA LYS 17 9.716 1.209 0.774 114 HB2 LYS 17 HB2 LYS 17 11.359 0.161 2.270 115 HB3 LYS 17 HB3 LYS 17 11.268 1.907 2.521 116 HG2 LYS 17 HG2 LYS 17 9.779 -0.029 4.284 117 HG3 LYS 17 HG3 LYS 17 11.472 0.374 4.573 118 HD2 LYS 17 HD2 LYS 17 10.909 2.735 4.798 119 HD3 LYS 17 HD3 LYS 17 9.201 2.396 4.440 120 HE2 LYS 17 HE2 LYS 17 10.734 1.239 6.777 121 HE3 LYS 17 HE3 LYS 17 9.717 2.672 6.871 122 HZ1 LYS 17 HZ1 LYS 17 8.563 0.667 7.602 123 HZ2 LYS 17 HZ2 LYS 17 8.784 -0.033 6.080 124 HZ3 LYS 17 HZ3 LYS 17 7.818 1.344 6.244 125 H VAL 18 H VAL 18 7.794 -0.064 0.100 126 HA VAL 18 HA VAL 18 8.076 -2.709 1.276 127 HB VAL 18 HB VAL 18 5.892 -3.190 1.808 128 HG11 VAL 18 HG11 VAL 18 5.864 -0.216 2.305 129 HG12 VAL 18 HG12 VAL 18 6.616 -1.431 3.341 130 HG13 VAL 18 HG13 VAL 18 4.866 -1.432 3.109 131 HG21 VAL 18 HG21 VAL 18 3.911 -2.084 0.916 132 HG22 VAL 18 HG22 VAL 18 4.970 -2.697 -0.361 133 HG23 VAL 18 HG23 VAL 18 4.943 -0.970 0.011 134 HA PRO 19 HA PRO 19 7.712 -3.844 -3.074 135 HB2 PRO 19 HB2 PRO 19 7.102 -6.520 -2.022 136 HB3 PRO 19 HB3 PRO 19 8.444 -6.007 -3.058 137 HG2 PRO 19 HG2 PRO 19 8.828 -6.707 -0.487 138 HG3 PRO 19 HG3 PRO 19 9.788 -5.444 -1.282 139 HD2 PRO 19 HD2 PRO 19 7.490 -5.143 0.628 140 HD3 PRO 19 HD3 PRO 19 9.003 -4.212 0.501 141 H PHE 20 H PHE 20 5.967 -4.549 -4.488 142 HA PHE 20 HA PHE 20 3.434 -3.704 -3.731 143 HB2 PHE 20 HB2 PHE 20 4.182 -4.003 -6.093 144 HB3 PHE 20 HB3 PHE 20 4.016 -5.743 -5.894 145 HD1 PHE 20 HD1 PHE 20 1.842 -6.788 -5.830 146 HD2 PHE 20 HD2 PHE 20 2.234 -2.566 -6.171 147 HE1 PHE 20 HE1 PHE 20 -0.525 -6.626 -6.477 148 HE2 PHE 20 HE2 PHE 20 -0.133 -2.397 -6.814 149 HZ PHE 20 HZ PHE 20 -1.517 -4.427 -6.969 150 H ASP 21 H ASP 21 4.713 -7.019 -3.772 151 HA ASP 21 HA ASP 21 2.358 -8.352 -3.107 152 HB2 ASP 21 HB2 ASP 21 3.786 -10.175 -2.273 153 HB3 ASP 21 HB3 ASP 21 4.341 -9.571 -3.830 154 H GLN 22 H GLN 22 4.782 -6.866 -1.004 155 HA GLN 22 HA GLN 22 3.601 -7.601 1.453 156 HB2 GLN 22 HB2 GLN 22 5.904 -6.832 1.319 157 HB3 GLN 22 HB3 GLN 22 5.368 -5.252 0.753 158 HG2 GLN 22 HG2 GLN 22 5.950 -5.121 3.070 159 HG3 GLN 22 HG3 GLN 22 4.202 -4.912 2.889 160 HE21 GLN 22 HE21 GLN 22 3.805 -5.500 5.003 161 HE22 GLN 22 HE22 GLN 22 3.946 -7.136 5.555 162 H CYS 23 H CYS 23 3.205 -4.810 -0.676 163 HA CYS 23 HA CYS 23 1.555 -3.298 1.059 164 HB2 CYS 23 HB2 CYS 23 2.713 -2.482 -1.103 165 HB3 CYS 23 HB3 CYS 23 1.346 -3.203 -1.958 166 H TYR 24 H TYR 24 0.849 -5.711 -1.412 167 HA TYR 24 HA TYR 24 -1.957 -5.620 -1.215 168 HB2 TYR 24 HB2 TYR 24 -0.762 -6.759 -3.071 169 HB3 TYR 24 HB3 TYR 24 -0.196 -7.989 -1.930 170 HD1 TYR 24 HD1 TYR 24 -1.541 -9.836 -1.380 171 HD2 TYR 24 HD2 TYR 24 -3.238 -6.564 -3.500 172 HE1 TYR 24 HE1 TYR 24 -3.570 -11.156 -1.779 173 HE2 TYR 24 HE2 TYR 24 -5.273 -7.874 -3.902 174 HH TYR 24 HH TYR 24 -5.974 -10.744 -2.258 175 H GLN 25 H GLN 25 0.474 -7.302 0.716 176 HA GLN 25 HA GLN 25 -1.434 -9.114 1.854 177 HB2 GLN 25 HB2 GLN 25 1.403 -8.423 2.647 178 HB3 GLN 25 HB3 GLN 25 0.424 -9.603 3.513 179 HG2 GLN 25 HG2 GLN 25 1.258 -9.775 0.605 180 HG3 GLN 25 HG3 GLN 25 1.896 -10.725 1.940 181 HE21 GLN 25 HE21 GLN 25 -0.690 -11.109 3.199 182 HE22 GLN 25 HE22 GLN 25 -1.542 -12.248 2.214 183 H MET 26 H MET 26 -0.443 -5.898 2.555 184 HA MET 26 HA MET 26 -1.530 -5.998 5.241 185 HB2 MET 26 HB2 MET 26 0.453 -4.696 5.045 186 HB3 MET 26 HB3 MET 26 -0.168 -3.847 3.639 187 HG2 MET 26 HG2 MET 26 -1.829 -2.720 5.044 188 HG3 MET 26 HG3 MET 26 -1.206 -3.571 6.458 189 HE1 MET 26 HE1 MET 26 1.356 -0.538 4.075 190 HE2 MET 26 HE2 MET 26 -0.212 -1.132 3.526 191 HE3 MET 26 HE3 MET 26 1.176 -2.217 3.577 192 H CYS 27 H CYS 27 -2.279 -4.263 2.187 193 HA CYS 27 HA CYS 27 -4.719 -3.329 3.523 194 HB2 CYS 27 HB2 CYS 27 -3.121 -2.148 1.258 195 HB3 CYS 27 HB3 CYS 27 -4.801 -1.656 1.569 196 H SER 28 H SER 28 -4.068 -5.861 1.528 197 HA SER 28 HA SER 28 -6.141 -5.660 -0.325 198 HB2 SER 28 HB2 SER 28 -6.232 -8.176 -0.288 199 HB3 SER 28 HB3 SER 28 -4.643 -7.476 -0.617 200 HG SER 28 HG SER 28 -3.919 -8.172 1.265 201 HA PRO 29 HA PRO 29 -9.139 -7.462 3.176 202 HB2 PRO 29 HB2 PRO 29 -7.841 -5.951 5.402 203 HB3 PRO 29 HB3 PRO 29 -8.719 -7.496 5.450 204 HG2 PRO 29 HG2 PRO 29 -6.075 -7.509 5.588 205 HG3 PRO 29 HG3 PRO 29 -6.917 -8.700 4.563 206 HD2 PRO 29 HD2 PRO 29 -5.474 -6.184 3.757 207 HD3 PRO 29 HD3 PRO 29 -5.490 -7.783 2.969 208 H LEU 30 H LEU 30 -7.579 -4.397 2.905 209 HA LEU 30 HA LEU 30 -9.872 -2.816 3.650 210 HB2 LEU 30 HB2 LEU 30 -7.328 -2.220 3.833 211 HB3 LEU 30 HB3 LEU 30 -7.472 -1.831 2.113 212 HG LEU 30 HG LEU 30 -8.913 -0.472 4.415 213 HD11 LEU 30 HD11 LEU 30 -6.596 0.172 4.256 214 HD12 LEU 30 HD12 LEU 30 -7.597 1.488 3.645 215 HD13 LEU 30 HD13 LEU 30 -6.744 0.433 2.517 216 HD21 LEU 30 HD21 LEU 30 -10.356 -0.591 2.416 217 HD22 LEU 30 HD22 LEU 30 -9.072 0.149 1.460 218 HD23 LEU 30 HD23 LEU 30 -9.835 1.058 2.764 219 H GLU 31 H GLU 31 -7.992 -3.285 0.669 220 HA GLU 31 HA GLU 31 -10.015 -1.955 -0.895 221 HB2 GLU 31 HB2 GLU 31 -7.561 -1.705 -1.338 222 HB3 GLU 31 HB3 GLU 31 -7.527 -3.394 -1.848 223 HG2 GLU 31 HG2 GLU 31 -9.093 -2.880 -3.656 224 HG3 GLU 31 HG3 GLU 31 -9.113 -1.183 -3.160 225 H ARG 32 H ARG 32 -8.429 -5.086 -1.473 226 HA ARG 32 HA ARG 32 -11.013 -6.361 -1.839 227 HB2 ARG 32 HB2 ARG 32 -8.973 -6.074 -4.055 228 HB3 ARG 32 HB3 ARG 32 -10.166 -7.373 -4.051 229 HG2 ARG 32 HG2 ARG 32 -10.810 -4.409 -4.066 230 HG3 ARG 32 HG3 ARG 32 -10.817 -5.454 -5.488 231 HD2 ARG 32 HD2 ARG 32 -12.753 -5.295 -3.223 232 HD3 ARG 32 HD3 ARG 32 -13.039 -5.465 -4.950 233 HE ARG 32 HE ARG 32 -11.994 -7.833 -4.466 234 HH11 ARG 32 HH11 ARG 32 -14.325 -6.045 -2.552 235 HH12 ARG 32 HH12 ARG 32 -15.078 -7.465 -1.907 236 HH21 ARG 32 HH21 ARG 32 -12.966 -9.704 -3.598 237 HH22 ARG 32 HH22 ARG 32 -14.298 -9.554 -2.496 238 H SER 33 H SER 33 -10.939 -8.165 -0.750 239 HA SER 33 HA SER 33 -8.544 -9.844 -0.880 240 HB2 SER 33 HB2 SER 33 -8.465 -8.414 1.232 241 HB3 SER 33 HB3 SER 33 -9.921 -9.258 1.760 242 HG SER 33 HG SER 33 -7.307 -10.228 1.439
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