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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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8099 |
1ljz ![]() ![]() |
4195 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ILE 1 HT1 ILE 1 -9.738 14.175 4.009 2 2H ILE 1 HT2 ILE 1 -11.377 13.810 4.363 3 3H ILE 1 HT3 ILE 1 -10.681 13.293 2.881 4 HA ILE 1 HA ILE 1 -10.217 12.311 5.599 5 HB ILE 1 HB ILE 1 -10.751 10.189 4.702 6 1HG1 ILE 1 HG12 ILE 1 -11.494 10.679 2.006 7 2HG1 ILE 1 HG11 ILE 1 -9.874 11.334 2.222 8 1HG2 ILE 1 HG21 ILE 1 -12.975 10.495 4.492 9 2HG2 ILE 1 HG22 ILE 1 -12.802 11.694 3.210 10 3HG2 ILE 1 HG23 ILE 1 -12.558 12.160 4.894 11 1HD1 ILE 1 HD11 ILE 1 -9.264 9.233 1.731 12 2HD1 ILE 1 HD12 ILE 1 -10.809 8.552 2.237 13 3HD1 ILE 1 HD13 ILE 1 -9.588 8.958 3.441 14 H VAL 2 HN VAL 2 -8.603 10.720 5.843 15 HA VAL 2 HA VAL 2 -6.128 11.427 4.452 16 HB VAL 2 HB VAL 2 -6.586 9.816 6.972 17 1HG1 VAL 2 HG11 VAL 2 -4.125 10.728 5.516 18 2HG1 VAL 2 HG12 VAL 2 -4.486 9.153 6.223 19 3HG1 VAL 2 HG13 VAL 2 -4.089 10.519 7.266 20 1HG2 VAL 2 HG21 VAL 2 -5.343 12.496 7.095 21 2HG2 VAL 2 HG22 VAL 2 -6.448 11.701 8.215 22 3HG2 VAL 2 HG23 VAL 2 -7.070 12.449 6.743 23 H CYS 3 HN CYS 3 -4.583 9.553 3.997 24 HA CYS 3 HA CYS 3 -5.943 7.008 3.601 25 1HB CYS 3 HB2 CYS 3 -6.149 8.706 1.580 26 2HB CYS 3 HB1 CYS 3 -4.539 8.093 1.211 27 H HIS 4 HN HIS 4 -4.646 5.466 4.282 28 HA HIS 4 HA HIS 4 -1.813 5.814 4.609 29 1HB HIS 4 HB2 HIS 4 -3.799 3.655 5.139 30 2HB HIS 4 HB1 HIS 4 -2.114 3.180 4.979 31 HD1 HIS 4 HD1 HIS 4 -3.821 2.991 7.611 32 HD2 HIS 4 HD2 HIS 4 -1.089 5.984 6.682 33 HE1 HIS 4 HE1 HIS 4 -3.085 3.945 9.824 34 HE2 HIS 4 HE2 HIS 4 -1.502 5.814 9.231 35 H THR 5 HN THR 5 -1.306 6.278 2.310 36 HA THR 5 HA THR 5 -1.528 3.975 0.537 37 HB THR 5 HB THR 5 -2.197 6.113 -0.401 38 HG1 THR 5 HG1 THR 5 -1.139 5.861 -2.260 39 1HG2 THR 5 HG21 THR 5 -0.457 7.831 -0.903 40 2HG2 THR 5 HG22 THR 5 0.591 7.014 0.255 41 3HG2 THR 5 HG23 THR 5 -0.933 7.721 0.792 42 H THR 6 HN THR 6 0.027 2.621 0.250 43 HA THR 6 HA THR 6 2.607 2.966 1.410 44 HB THR 6 HB THR 6 2.964 0.702 0.384 45 HG1 THR 6 HG1 THR 6 1.070 -0.301 -0.447 46 1HG2 THR 6 HG21 THR 6 0.558 1.106 2.124 47 2HG2 THR 6 HG22 THR 6 2.199 0.719 2.629 48 3HG2 THR 6 HG23 THR 6 1.242 -0.477 1.752 49 H ALA 7 HN ALA 7 3.443 4.739 0.214 50 HA ALA 7 HA ALA 7 4.151 4.022 -2.547 51 1HB ALA 7 HB1 ALA 7 2.278 5.694 -2.316 52 2HB ALA 7 HB2 ALA 7 3.624 6.142 -3.365 53 3HB ALA 7 HB3 ALA 7 3.500 6.830 -1.745 54 H THR 8 HN THR 8 5.171 6.274 0.116 55 HA THR 8 HA THR 8 7.694 6.536 -1.292 56 HB THR 8 HB THR 8 8.119 8.454 -0.177 57 HG1 THR 8 HG1 THR 8 6.558 7.657 2.051 58 1HG2 THR 8 HG21 THR 8 5.782 9.398 0.730 59 2HG2 THR 8 HG22 THR 8 5.197 8.097 -0.299 60 3HG2 THR 8 HG23 THR 8 6.227 9.357 -0.972 61 H SER 9 HN SER 9 8.915 7.100 1.586 62 HA SER 9 HA SER 9 10.367 4.668 1.612 63 1HB SER 9 HB2 SER 9 10.362 7.150 3.259 64 2HB SER 9 HB1 SER 9 11.057 5.703 3.988 65 HG SER 9 HG SER 9 11.980 7.268 1.916 66 HA PRO 10 HA PRO 10 7.592 3.324 5.147 67 1HB PRO 10 HB2 PRO 10 6.599 5.057 6.892 68 2HB PRO 10 HB1 PRO 10 8.350 4.819 6.813 69 1HG PRO 10 HG2 PRO 10 6.733 7.119 5.929 70 2HG PRO 10 HG1 PRO 10 8.455 7.051 6.343 71 1HD PRO 10 HD2 PRO 10 7.184 6.871 3.723 72 2HD PRO 10 HD1 PRO 10 8.905 7.047 4.113 73 H ILE 11 HN ILE 11 5.115 3.663 6.107 74 HA ILE 11 HA ILE 11 3.433 3.795 3.798 75 HB ILE 11 HB ILE 11 2.979 3.443 6.719 76 1HG1 ILE 11 HG12 ILE 11 3.101 1.713 4.653 77 2HG1 ILE 11 HG11 ILE 11 2.201 1.387 6.128 78 1HG2 ILE 11 HG21 ILE 11 0.975 4.683 4.900 79 2HG2 ILE 11 HG22 ILE 11 1.341 5.042 6.588 80 3HG2 ILE 11 HG23 ILE 11 0.438 3.585 6.172 81 1HD1 ILE 11 HD11 ILE 11 0.865 0.822 4.224 82 2HD1 ILE 11 HD12 ILE 11 1.087 2.431 3.537 83 3HD1 ILE 11 HD13 ILE 11 0.162 2.226 5.025 84 H SER 12 HN SER 12 2.974 5.660 2.746 85 HA SER 12 HA SER 12 3.200 8.156 4.249 86 1HB SER 12 HB2 SER 12 3.610 9.230 2.219 87 2HB SER 12 HB1 SER 12 4.314 7.639 1.931 88 HG SER 12 HG SER 12 1.834 8.657 1.030 89 H ALA 13 HN ALA 13 1.439 8.860 5.181 90 HA ALA 13 HA ALA 13 -1.191 8.247 4.148 91 1HB ALA 13 HB1 ALA 13 -0.927 10.125 6.405 92 2HB ALA 13 HB2 ALA 13 -0.275 8.506 6.665 93 3HB ALA 13 HB3 ALA 13 -1.968 8.714 6.216 94 H VAL 14 HN VAL 14 -2.292 9.513 2.801 95 HA VAL 14 HA VAL 14 -1.622 12.381 2.719 96 HB VAL 14 HB VAL 14 -2.000 12.364 0.280 97 1HG1 VAL 14 HG11 VAL 14 0.264 11.787 1.588 98 2HG1 VAL 14 HG12 VAL 14 0.169 11.898 -0.170 99 3HG1 VAL 14 HG13 VAL 14 0.109 10.322 0.620 100 1HG2 VAL 14 HG21 VAL 14 -3.242 10.612 -0.418 101 2HG2 VAL 14 HG22 VAL 14 -2.627 9.538 0.839 102 3HG2 VAL 14 HG23 VAL 14 -1.667 9.843 -0.609 103 H THR 15 HN THR 15 -3.288 13.780 2.611 104 HA THR 15 HA THR 15 -5.973 12.664 2.843 105 HB THR 15 HB THR 15 -5.957 15.517 3.054 106 HG1 THR 15 HG1 THR 15 -4.014 14.240 4.674 107 1HG2 THR 15 HG21 THR 15 -6.417 14.980 5.497 108 2HG2 THR 15 HG22 THR 15 -6.371 13.287 5.003 109 3HG2 THR 15 HG23 THR 15 -7.562 14.379 4.297 110 H CYS 16 HN CYS 16 -7.225 12.534 1.096 111 HA CYS 16 HA CYS 16 -6.531 14.052 -1.291 112 1HB CYS 16 HB2 CYS 16 -8.508 11.819 -0.815 113 2HB CYS 16 HB1 CYS 16 -8.283 12.612 -2.371 114 HA PRO 17 HA PRO 17 -9.720 17.010 0.049 115 1HB PRO 17 HB2 PRO 17 -8.681 18.613 -2.179 116 2HB PRO 17 HB1 PRO 17 -8.786 19.006 -0.464 117 1HG PRO 17 HG2 PRO 17 -6.434 18.497 -1.682 118 2HG PRO 17 HG1 PRO 17 -6.737 18.082 0.014 119 1HD PRO 17 HD2 PRO 17 -6.720 16.316 -2.396 120 2HD PRO 17 HD1 PRO 17 -6.132 15.997 -0.760 121 HA PRO 18 HA PRO 18 -11.437 17.368 -4.599 122 1HB PRO 18 HB2 PRO 18 -10.089 14.903 -5.598 123 2HB PRO 18 HB1 PRO 18 -10.505 16.388 -6.461 124 1HG PRO 18 HG2 PRO 18 -7.999 15.923 -5.726 125 2HG PRO 18 HG1 PRO 18 -8.689 17.552 -5.601 126 1HD PRO 18 HD2 PRO 18 -8.154 15.547 -3.456 127 2HD PRO 18 HD1 PRO 18 -8.016 17.316 -3.413 128 H GLY 19 HN GLY 19 -12.615 15.436 -5.998 129 1HA GLY 19 HA2 GLY 19 -14.487 14.339 -4.161 130 2HA GLY 19 HA1 GLY 19 -14.442 14.047 -5.892 131 H GLU 20 HN GLU 20 -11.770 12.956 -5.943 132 HA GLU 20 HA GLU 20 -12.433 10.267 -5.167 133 1HB GLU 20 HB2 GLU 20 -10.458 9.597 -6.322 134 2HB GLU 20 HB1 GLU 20 -11.204 10.867 -7.279 135 1HG GLU 20 HG2 GLU 20 -9.495 12.293 -5.717 136 2HG GLU 20 HG1 GLU 20 -8.607 10.785 -5.943 137 H ASN 21 HN ASN 21 -12.271 9.684 -3.109 138 HA ASN 21 HA ASN 21 -9.788 10.314 -1.670 139 1HB ASN 21 HB2 ASN 21 -12.322 10.334 -0.104 140 2HB ASN 21 HB1 ASN 21 -10.823 11.214 0.176 141 1HD2 ASN 21 HD21 ASN 21 -13.902 11.213 -1.305 142 2HD2 ASN 21 HD22 ASN 21 -13.866 12.835 -1.906 143 H LEU 22 HN LEU 22 -11.553 7.928 -2.884 144 HA LEU 22 HA LEU 22 -11.971 6.231 -0.658 145 1HB LEU 22 HB2 LEU 22 -12.910 6.147 -3.113 146 2HB LEU 22 HB1 LEU 22 -11.525 5.096 -3.371 147 HG LEU 22 HG LEU 22 -13.693 4.676 -1.329 148 1HD1 LEU 22 HD11 LEU 22 -14.547 4.219 -3.516 149 2HD1 LEU 22 HD12 LEU 22 -14.209 2.678 -2.725 150 3HD1 LEU 22 HD13 LEU 22 -13.098 3.308 -3.940 151 1HD2 LEU 22 HD21 LEU 22 -12.489 2.367 -1.293 152 2HD2 LEU 22 HD22 LEU 22 -11.896 3.717 -0.324 153 3HD2 LEU 22 HD23 LEU 22 -11.106 3.314 -1.849 154 H CYS 23 HN CYS 23 -10.694 4.938 0.388 155 HA CYS 23 HA CYS 23 -7.919 4.667 -0.442 156 1HB CYS 23 HB2 CYS 23 -9.304 4.274 2.180 157 2HB CYS 23 HB1 CYS 23 -7.632 3.819 1.916 158 H TYR 24 HN TYR 24 -7.505 2.902 -1.615 159 HA TYR 24 HA TYR 24 -9.061 0.489 -1.049 160 1HB TYR 24 HB2 TYR 24 -8.478 -0.313 -3.206 161 2HB TYR 24 HB1 TYR 24 -8.945 1.373 -3.400 162 HD1 TYR 24 HD1 TYR 24 -6.198 -1.050 -3.665 163 HD2 TYR 24 HD2 TYR 24 -7.253 3.088 -3.844 164 HE1 TYR 24 HE1 TYR 24 -4.126 -0.585 -4.815 165 HE2 TYR 24 HE2 TYR 24 -5.139 3.559 -5.000 166 HH TYR 24 HH TYR 24 -2.780 2.378 -5.100 167 H ARG 25 HN ARG 25 -8.162 -1.443 -0.658 168 HA ARG 25 HA ARG 25 -5.276 -1.552 -0.169 169 1HB ARG 25 HB2 ARG 25 -7.514 -2.129 1.710 170 2HB ARG 25 HB1 ARG 25 -6.125 -3.206 1.750 171 1HG ARG 25 HG2 ARG 25 -4.879 -0.819 1.784 172 2HG ARG 25 HG1 ARG 25 -6.381 -0.408 2.610 173 1HD ARG 25 HD2 ARG 25 -4.413 -1.196 4.033 174 2HD ARG 25 HD1 ARG 25 -5.987 -1.924 4.335 175 HE ARG 25 HE ARG 25 -3.690 -3.200 3.034 176 1HH1 ARG 25 HH11 ARG 25 -6.933 -3.446 4.324 177 2HH1 ARG 25 HH12 ARG 25 -6.907 -5.175 4.379 178 1HH2 ARG 25 HH21 ARG 25 -3.665 -5.465 3.112 179 2HH2 ARG 25 HH22 ARG 25 -5.057 -6.322 3.688 180 H LYS 26 HN LYS 26 -5.189 -2.550 -2.209 181 HA LYS 26 HA LYS 26 -6.543 -5.127 -2.437 182 1HB LYS 26 HB2 LYS 26 -5.734 -5.068 -4.802 183 2HB LYS 26 HB1 LYS 26 -6.882 -3.817 -4.360 184 1HG LYS 26 HG2 LYS 26 -5.441 -2.474 -5.397 185 2HG LYS 26 HG1 LYS 26 -4.554 -2.548 -3.873 186 1HD LYS 26 HD2 LYS 26 -4.016 -4.775 -5.679 187 2HD LYS 26 HD1 LYS 26 -3.544 -3.197 -6.315 188 1HE LYS 26 HE2 LYS 26 -1.691 -3.426 -5.133 189 2HE LYS 26 HE1 LYS 26 -2.674 -3.112 -3.704 190 1HZ LYS 26 HZ1 LYS 26 -2.182 -5.136 -2.989 191 2HZ LYS 26 HZ2 LYS 26 -1.248 -5.429 -4.361 192 3HZ LYS 26 HZ3 LYS 26 -2.892 -5.830 -4.359 193 H MET 27 HN MET 27 -5.479 -7.012 -3.071 194 HA MET 27 HA MET 27 -2.606 -7.072 -2.687 195 1HB MET 27 HB2 MET 27 -4.476 -8.647 -0.914 196 2HB MET 27 HB1 MET 27 -2.724 -8.773 -0.927 197 1HG MET 27 HG2 MET 27 -2.532 -6.481 -0.159 198 2HG MET 27 HG1 MET 27 -4.286 -6.308 -0.196 199 1HE MET 27 HE1 MET 27 -5.897 -7.430 1.193 200 2HE MET 27 HE2 MET 27 -5.599 -8.213 2.744 201 3HE MET 27 HE3 MET 27 -5.387 -9.118 1.245 202 H TRP 28 HN TRP 28 -1.625 -8.830 -3.442 203 HA TRP 28 HA TRP 28 -3.098 -11.087 -4.511 204 1HB TRP 28 HB2 TRP 28 -2.180 -10.970 -6.753 205 2HB TRP 28 HB1 TRP 28 -3.107 -9.519 -6.411 206 HD1 TRP 28 HD1 TRP 28 0.465 -10.716 -6.983 207 HE1 TRP 28 HE1 TRP 28 1.941 -8.679 -7.535 208 HE3 TRP 28 HE3 TRP 28 -2.931 -7.003 -6.119 209 HZ2 TRP 28 HZ2 TRP 28 1.681 -5.865 -7.593 210 HZ3 TRP 28 HZ3 TRP 28 -2.245 -4.693 -6.480 211 HH2 TRP 28 HH2 TRP 28 0.008 -4.112 -7.175 212 H CYS 29 HN CYS 29 -0.584 -11.900 -6.050 213 HA CYS 29 HA CYS 29 0.804 -12.701 -3.594 214 1HB CYS 29 HB2 CYS 29 0.017 -14.620 -4.759 215 2HB CYS 29 HB1 CYS 29 0.673 -14.045 -6.289 216 H ASP 30 HN ASP 30 2.716 -12.008 -3.098 217 HA ASP 30 HA ASP 30 4.544 -11.143 -5.228 218 1HB ASP 30 HB2 ASP 30 3.477 -9.492 -3.102 219 2HB ASP 30 HB1 ASP 30 5.218 -9.632 -2.953 220 H ALA 31 HN ALA 31 4.797 -13.570 -4.573 221 HA ALA 31 HA ALA 31 6.650 -14.884 -4.095 222 1HB ALA 31 HB1 ALA 31 7.479 -13.412 -1.709 223 2HB ALA 31 HB2 ALA 31 7.691 -12.579 -3.249 224 3HB ALA 31 HB3 ALA 31 8.445 -14.146 -2.986 225 H PHE 32 HN PHE 32 4.060 -13.983 -1.992 226 HA PHE 32 HA PHE 32 4.743 -15.781 0.109 227 1HB PHE 32 HB2 PHE 32 2.786 -13.959 -0.101 228 2HB PHE 32 HB1 PHE 32 1.870 -15.389 -0.519 229 HD1 PHE 32 HD1 PHE 32 0.462 -15.411 1.395 230 HD2 PHE 32 HD2 PHE 32 4.697 -15.369 1.840 231 HE1 PHE 32 HE1 PHE 32 0.212 -15.961 3.780 232 HE2 PHE 32 HE2 PHE 32 4.452 -15.921 4.228 233 HZ PHE 32 HZ PHE 32 2.209 -16.217 5.200 234 H CYS 33 HN CYS 33 2.534 -16.035 -2.643 235 HA CYS 33 HA CYS 33 2.115 -18.806 -2.332 236 1HB CYS 33 HB2 CYS 33 1.042 -18.746 -4.473 237 2HB CYS 33 HB1 CYS 33 0.656 -17.226 -3.679 238 H SER 34 HN SER 34 4.627 -16.860 -3.594 239 HA SER 34 HA SER 34 5.961 -19.076 -4.928 240 1HB SER 34 HB2 SER 34 5.953 -16.268 -5.290 241 2HB SER 34 HB1 SER 34 7.585 -16.712 -4.793 242 HG SER 34 HG SER 34 7.501 -16.939 -6.988 243 H SER 35 HN SER 35 7.403 -16.546 -2.877 244 HA SER 35 HA SER 35 8.422 -18.599 -1.058 245 1HB SER 35 HB2 SER 35 10.708 -17.811 -1.238 246 2HB SER 35 HB1 SER 35 10.107 -18.283 -2.827 247 HG SER 35 HG SER 35 10.308 -16.294 -3.484 248 H ARG 36 HN ARG 36 8.539 -15.024 -1.576 249 HA ARG 36 HA ARG 36 9.022 -14.580 1.209 250 1HB ARG 36 HB2 ARG 36 8.266 -12.297 -0.561 251 2HB ARG 36 HB1 ARG 36 9.404 -12.359 0.764 252 1HG ARG 36 HG2 ARG 36 10.624 -14.013 -0.963 253 2HG ARG 36 HG1 ARG 36 9.776 -12.946 -2.089 254 1HD ARG 36 HD2 ARG 36 10.864 -11.037 -1.299 255 2HD ARG 36 HD1 ARG 36 11.371 -11.834 0.191 256 HE ARG 36 HE ARG 36 12.497 -13.020 -2.167 257 1HH1 ARG 36 HH11 ARG 36 12.861 -10.470 0.189 258 2HH1 ARG 36 HH12 ARG 36 14.568 -10.316 -0.057 259 1HH2 ARG 36 HH21 ARG 36 14.743 -12.818 -2.491 260 2HH2 ARG 36 HH22 ARG 36 15.636 -11.648 -1.578 261 H GLY 37 HN GLY 37 6.573 -12.508 -0.383 262 1HA GLY 37 HA2 GLY 37 4.561 -13.560 1.464 263 2HA GLY 37 HA1 GLY 37 5.057 -11.899 1.678 264 H LYS 38 HN LYS 38 2.558 -11.921 1.376 265 HA LYS 38 HA LYS 38 1.650 -12.105 -1.344 266 1HB LYS 38 HB2 LYS 38 0.432 -12.148 1.149 267 2HB LYS 38 HB1 LYS 38 -0.079 -10.609 0.471 268 1HG LYS 38 HG2 LYS 38 -1.517 -11.601 -0.897 269 2HG LYS 38 HG1 LYS 38 -0.295 -12.738 -1.468 270 1HD LYS 38 HD2 LYS 38 -1.109 -14.381 -0.196 271 2HD LYS 38 HD1 LYS 38 -1.147 -13.349 1.234 272 1HE LYS 38 HE2 LYS 38 -3.215 -12.675 -0.699 273 2HE LYS 38 HE1 LYS 38 -3.335 -14.338 -0.127 274 1HZ LYS 38 HZ1 LYS 38 -2.935 -13.074 2.169 275 2HZ LYS 38 HZ2 LYS 38 -4.475 -13.352 1.527 276 3HZ LYS 38 HZ3 LYS 38 -3.732 -11.847 1.317 277 H VAL 39 HN VAL 39 0.405 -10.135 -2.252 278 HA VAL 39 HA VAL 39 2.274 -7.895 -2.208 279 HB VAL 39 HB VAL 39 -0.082 -8.227 -4.022 280 1HG1 VAL 39 HG11 VAL 39 2.009 -6.262 -3.715 281 2HG1 VAL 39 HG12 VAL 39 0.546 -6.198 -4.697 282 3HG1 VAL 39 HG13 VAL 39 2.005 -6.950 -5.339 283 1HG2 VAL 39 HG21 VAL 39 2.286 -8.898 -5.370 284 2HG2 VAL 39 HG22 VAL 39 0.888 -9.909 -5.022 285 3HG2 VAL 39 HG23 VAL 39 2.213 -9.839 -3.888 286 H VAL 40 HN VAL 40 1.813 -5.913 -1.520 287 HA VAL 40 HA VAL 40 -0.945 -5.272 -0.769 288 HB VAL 40 HB VAL 40 1.315 -4.467 1.022 289 1HG1 VAL 40 HG11 VAL 40 -1.626 -4.359 1.051 290 2HG1 VAL 40 HG12 VAL 40 -0.441 -3.270 1.772 291 3HG1 VAL 40 HG13 VAL 40 -0.859 -4.780 2.583 292 1HG2 VAL 40 HG21 VAL 40 0.739 -6.388 2.471 293 2HG2 VAL 40 HG22 VAL 40 1.462 -6.870 0.936 294 3HG2 VAL 40 HG23 VAL 40 -0.278 -7.010 1.172 295 H GLU 41 HN GLU 41 -1.540 -3.553 -1.761 296 HA GLU 41 HA GLU 41 0.267 -1.258 -1.960 297 1HB GLU 41 HB2 GLU 41 0.403 -1.521 -4.169 298 2HB GLU 41 HB1 GLU 41 -0.780 -2.800 -4.139 299 1HG GLU 41 HG2 GLU 41 -1.655 -1.234 -5.588 300 2HG GLU 41 HG1 GLU 41 -2.528 -0.983 -4.080 301 H LEU 42 HN LEU 42 -0.631 0.491 -1.123 302 HA LEU 42 HA LEU 42 -3.565 0.592 -0.852 303 1HB LEU 42 HB2 LEU 42 -1.813 2.150 0.973 304 2HB LEU 42 HB1 LEU 42 -3.369 1.406 1.288 305 HG LEU 42 HG LEU 42 -0.669 0.103 1.241 306 1HD1 LEU 42 HD11 LEU 42 -0.792 0.019 3.468 307 2HD1 LEU 42 HD12 LEU 42 -2.505 -0.399 3.455 308 3HD1 LEU 42 HD13 LEU 42 -2.008 1.283 3.290 309 1HD2 LEU 42 HD21 LEU 42 -1.595 -1.783 0.521 310 2HD2 LEU 42 HD22 LEU 42 -3.204 -1.065 0.541 311 3HD2 LEU 42 HD23 LEU 42 -2.555 -1.812 1.999 312 H GLY 43 HN GLY 43 -4.563 2.333 -1.748 313 1HA GLY 43 HA2 GLY 43 -2.964 4.746 -2.234 314 2HA GLY 43 HA1 GLY 43 -3.721 3.969 -3.612 315 H CYS 44 HN CYS 44 -4.571 6.242 -3.690 316 HA CYS 44 HA CYS 44 -7.130 6.366 -2.250 317 1HB CYS 44 HB2 CYS 44 -5.652 8.024 -1.264 318 2HB CYS 44 HB1 CYS 44 -5.249 8.656 -2.856 319 H ALA 45 HN ALA 45 -8.515 5.782 -3.845 320 HA ALA 45 HA ALA 45 -8.292 7.181 -6.424 321 1HB ALA 45 HB1 ALA 45 -8.155 4.552 -6.156 322 2HB ALA 45 HB2 ALA 45 -8.947 5.309 -7.537 323 3HB ALA 45 HB3 ALA 45 -9.911 4.709 -6.188 324 H ALA 46 HN ALA 46 -10.653 6.846 -7.525 325 HA ALA 46 HA ALA 46 -12.544 8.169 -5.699 326 1HB ALA 46 HB1 ALA 46 -13.083 8.351 -8.571 327 2HB ALA 46 HB2 ALA 46 -11.560 9.099 -8.084 328 3HB ALA 46 HB3 ALA 46 -13.074 9.616 -7.339 329 H THR 47 HN THR 47 -11.950 5.616 -7.949 330 HA THR 47 HA THR 47 -14.503 4.419 -7.244 331 HB THR 47 HB THR 47 -13.926 3.738 -9.924 332 HG1 THR 47 HG1 THR 47 -13.845 5.670 -10.919 333 1HG2 THR 47 HG21 THR 47 -16.139 4.191 -8.455 334 2HG2 THR 47 HG22 THR 47 -16.115 4.039 -10.214 335 3HG2 THR 47 HG23 THR 47 -16.088 5.636 -9.464 336 H CYS 48 HN CYS 48 -13.317 3.113 -5.842 337 HA CYS 48 HA CYS 48 -11.110 1.536 -6.568 338 1HB CYS 48 HB2 CYS 48 -11.551 1.915 -4.253 339 2HB CYS 48 HB1 CYS 48 -13.175 1.253 -4.386 340 HA PRO 49 HA PRO 49 -13.487 -1.332 -9.138 341 1HB PRO 49 HB2 PRO 49 -11.346 -2.640 -10.157 342 2HB PRO 49 HB1 PRO 49 -11.864 -1.057 -10.750 343 1HG PRO 49 HG2 PRO 49 -9.670 -1.736 -8.827 344 2HG PRO 49 HG1 PRO 49 -9.661 -0.579 -10.171 345 1HD PRO 49 HD2 PRO 49 -10.004 0.179 -7.589 346 2HD PRO 49 HD1 PRO 49 -10.749 1.043 -8.949 347 H SER 50 HN SER 50 -14.213 -3.366 -8.736 348 HA SER 50 HA SER 50 -13.126 -4.722 -6.403 349 1HB SER 50 HB2 SER 50 -15.550 -5.505 -8.029 350 2HB SER 50 HB1 SER 50 -15.151 -6.007 -6.386 351 HG SER 50 HG SER 50 -16.191 -3.593 -7.314 352 H LYS 51 HN LYS 51 -11.139 -5.340 -7.547 353 HA LYS 51 HA LYS 51 -11.425 -7.406 -9.562 354 1HB LYS 51 HB2 LYS 51 -8.931 -7.357 -9.619 355 2HB LYS 51 HB1 LYS 51 -9.689 -5.817 -9.994 356 1HG LYS 51 HG2 LYS 51 -8.983 -6.258 -7.167 357 2HG LYS 51 HG1 LYS 51 -7.636 -6.092 -8.295 358 1HD LYS 51 HD2 LYS 51 -9.239 -4.058 -9.101 359 2HD LYS 51 HD1 LYS 51 -9.592 -4.097 -7.372 360 1HE LYS 51 HE2 LYS 51 -7.064 -4.125 -7.031 361 2HE LYS 51 HE1 LYS 51 -6.946 -3.680 -8.733 362 1HZ LYS 51 HZ1 LYS 51 -8.740 -2.087 -7.077 363 2HZ LYS 51 HZ2 LYS 51 -7.721 -1.607 -8.339 364 3HZ LYS 51 HZ3 LYS 51 -7.081 -1.893 -6.799 365 H LYS 52 HN LYS 52 -12.601 -8.646 -7.775 366 HA LYS 52 HA LYS 52 -10.783 -10.016 -5.968 367 1HB LYS 52 HB2 LYS 52 -13.331 -9.150 -5.631 368 2HB LYS 52 HB1 LYS 52 -13.594 -10.853 -5.984 369 1HG LYS 52 HG2 LYS 52 -11.620 -9.949 -3.915 370 2HG LYS 52 HG1 LYS 52 -13.329 -10.185 -3.544 371 1HD LYS 52 HD2 LYS 52 -12.542 -12.264 -3.020 372 2HD LYS 52 HD1 LYS 52 -12.887 -12.512 -4.732 373 1HE LYS 52 HE2 LYS 52 -10.767 -13.264 -4.813 374 2HE LYS 52 HE1 LYS 52 -10.350 -11.552 -4.847 375 1HZ LYS 52 HZ1 LYS 52 -9.112 -12.871 -3.174 376 2HZ LYS 52 HZ2 LYS 52 -10.565 -13.149 -2.355 377 3HZ LYS 52 HZ3 LYS 52 -9.971 -11.573 -2.510 378 HA PRO 53 HA PRO 53 -11.911 -13.424 -9.127 379 1HB PRO 53 HB2 PRO 53 -10.230 -13.218 -11.215 380 2HB PRO 53 HB1 PRO 53 -11.791 -12.388 -11.186 381 1HG PRO 53 HG2 PRO 53 -9.058 -11.309 -10.683 382 2HG PRO 53 HG1 PRO 53 -10.424 -10.561 -11.527 383 1HD PRO 53 HD2 PRO 53 -9.686 -10.025 -8.926 384 2HD PRO 53 HD1 PRO 53 -11.303 -9.732 -9.598 385 H TYR 54 HN TYR 54 -9.272 -12.208 -7.526 386 HA TYR 54 HA TYR 54 -8.233 -14.650 -6.732 387 1HB TYR 54 HB2 TYR 54 -7.436 -14.812 -9.082 388 2HB TYR 54 HB1 TYR 54 -6.518 -13.328 -8.850 389 HD1 TYR 54 HD1 TYR 54 -4.837 -13.370 -6.823 390 HD2 TYR 54 HD2 TYR 54 -6.377 -16.841 -8.740 391 HE1 TYR 54 HE1 TYR 54 -2.933 -14.675 -5.975 392 HE2 TYR 54 HE2 TYR 54 -4.477 -18.156 -7.898 393 HH TYR 54 HH TYR 54 -1.727 -16.698 -6.450 394 H GLU 55 HN GLU 55 -7.698 -11.242 -7.349 395 HA GLU 55 HA GLU 55 -5.807 -11.070 -5.122 396 1HB GLU 55 HB2 GLU 55 -6.716 -8.796 -6.879 397 2HB GLU 55 HB1 GLU 55 -5.254 -8.901 -5.909 398 1HG GLU 55 HG2 GLU 55 -4.409 -10.659 -7.395 399 2HG GLU 55 HG1 GLU 55 -5.863 -10.506 -8.381 400 H GLU 56 HN GLU 56 -6.357 -10.320 -3.170 401 HA GLU 56 HA GLU 56 -9.095 -9.757 -2.570 402 1HB GLU 56 HB2 GLU 56 -7.498 -10.906 -1.014 403 2HB GLU 56 HB1 GLU 56 -6.681 -9.365 -0.794 404 1HG GLU 56 HG2 GLU 56 -8.161 -9.750 1.049 405 2HG GLU 56 HG1 GLU 56 -8.777 -8.412 0.081 406 H VAL 57 HN VAL 57 -9.857 -7.901 -3.447 407 HA VAL 57 HA VAL 57 -8.345 -5.429 -2.937 408 HB VAL 57 HB VAL 57 -8.707 -5.867 -5.304 409 1HG1 VAL 57 HG11 VAL 57 -11.564 -5.381 -5.380 410 2HG1 VAL 57 HG12 VAL 57 -11.169 -6.859 -4.506 411 3HG1 VAL 57 HG13 VAL 57 -10.612 -6.640 -6.164 412 1HG2 VAL 57 HG21 VAL 57 -9.404 -3.506 -3.924 413 2HG2 VAL 57 HG22 VAL 57 -10.555 -3.689 -5.247 414 3HG2 VAL 57 HG23 VAL 57 -8.824 -3.668 -5.581 415 H THR 58 HN THR 58 -9.074 -4.226 -1.334 416 HA THR 58 HA THR 58 -11.946 -4.312 -0.683 417 HB THR 58 HB THR 58 -10.024 -3.102 1.226 418 HG1 THR 58 HG1 THR 58 -9.199 -5.016 1.876 419 1HG2 THR 58 HG21 THR 58 -11.352 -4.318 2.873 420 2HG2 THR 58 HG22 THR 58 -12.300 -5.038 1.572 421 3HG2 THR 58 HG23 THR 58 -12.357 -3.296 1.844 422 H CYS 59 HN CYS 59 -12.920 -2.269 0.053 423 HA CYS 59 HA CYS 59 -11.575 0.130 -0.961 424 1HB CYS 59 HB2 CYS 59 -14.481 -0.377 -1.564 425 2HB CYS 59 HB1 CYS 59 -13.410 0.827 -2.273 426 H CYS 60 HN CYS 60 -11.516 1.589 0.593 427 HA CYS 60 HA CYS 60 -13.871 2.010 2.278 428 1HB CYS 60 HB2 CYS 60 -12.616 1.990 4.325 429 2HB CYS 60 HB1 CYS 60 -12.286 0.481 3.485 430 H SER 61 HN SER 61 -14.323 4.142 2.472 431 HA SER 61 HA SER 61 -12.238 5.989 1.538 432 1HB SER 61 HB2 SER 61 -14.407 7.516 1.331 433 2HB SER 61 HB1 SER 61 -13.959 6.361 0.076 434 HG SER 61 HG SER 61 -15.512 4.992 0.761 435 H THR 62 HN THR 62 -11.573 5.644 3.996 436 HA THR 62 HA THR 62 -12.563 7.996 5.409 437 HB THR 62 HB THR 62 -12.483 6.573 7.556 438 HG1 THR 62 HG1 THR 62 -13.066 4.396 7.182 439 1HG2 THR 62 HG21 THR 62 -14.586 7.215 5.824 440 2HG2 THR 62 HG22 THR 62 -14.672 6.819 7.541 441 3HG2 THR 62 HG23 THR 62 -14.843 5.546 6.331 442 H ASP 63 HN ASP 63 -11.092 8.898 6.899 443 HA ASP 63 HA ASP 63 -8.482 9.024 6.249 444 1HB ASP 63 HB2 ASP 63 -9.398 9.220 9.116 445 2HB ASP 63 HB1 ASP 63 -8.062 10.072 8.351 446 H LYS 64 HN LYS 64 -6.767 7.833 6.357 447 HA LYS 64 HA LYS 64 -5.469 5.954 6.648 448 1HB LYS 64 HB2 LYS 64 -6.145 7.041 9.311 449 2HB LYS 64 HB1 LYS 64 -5.463 5.421 9.305 450 1HG LYS 64 HG2 LYS 64 -3.534 6.571 9.418 451 2HG LYS 64 HG1 LYS 64 -3.733 6.611 7.663 452 1HD LYS 64 HD2 LYS 64 -3.396 8.825 8.019 453 2HD LYS 64 HD1 LYS 64 -5.143 8.773 8.267 454 1HE LYS 64 HE2 LYS 64 -4.776 8.558 10.688 455 2HE LYS 64 HE1 LYS 64 -3.035 8.652 10.423 456 1HZ LYS 64 HZ1 LYS 64 -3.606 10.865 9.276 457 2HZ LYS 64 HZ2 LYS 64 -3.604 10.807 10.966 458 3HZ LYS 64 HZ3 LYS 64 -5.069 10.764 10.122 459 H CYS 65 HN CYS 65 -8.077 5.229 5.878 460 HA CYS 65 HA CYS 65 -8.841 3.031 7.607 461 1HB CYS 65 HB2 CYS 65 -10.817 2.848 6.361 462 2HB CYS 65 HB1 CYS 65 -10.500 4.574 6.483 463 H ASN 66 HN ASN 66 -6.647 3.423 5.087 464 HA ASN 66 HA ASN 66 -7.063 0.665 4.171 465 1HB ASN 66 HB2 ASN 66 -5.386 1.355 2.361 466 2HB ASN 66 HB1 ASN 66 -7.000 2.049 2.292 467 1HD2 ASN 66 HD21 ASN 66 -4.419 2.971 1.227 468 2HD2 ASN 66 HD22 ASN 66 -4.215 4.571 1.844 469 HA PRO 67 HA PRO 67 -3.053 0.302 6.523 470 1HB PRO 67 HB2 PRO 67 -3.751 -0.717 8.821 471 2HB PRO 67 HB1 PRO 67 -4.208 0.970 8.507 472 1HG PRO 67 HG2 PRO 67 -5.863 -1.513 8.162 473 2HG PRO 67 HG1 PRO 67 -6.276 -0.039 9.066 474 1HD PRO 67 HD2 PRO 67 -7.044 -0.494 6.461 475 2HD PRO 67 HD1 PRO 67 -6.803 1.123 7.153 476 H HIS 68 HN HIS 68 -1.865 -1.652 6.443 477 HA HIS 68 HA HIS 68 -3.426 -3.948 5.508 478 1HB HIS 68 HB2 HIS 68 -1.308 -4.840 4.588 479 2HB HIS 68 HB1 HIS 68 -1.793 -3.297 3.908 480 HD1 HIS 68 HD1 HIS 68 1.070 -5.011 5.070 481 HD2 HIS 68 HD2 HIS 68 -0.276 -1.077 5.346 482 HE1 HIS 68 HE1 HIS 68 3.126 -3.596 5.420 483 HE2 HIS 68 HE2 HIS 68 2.293 -1.231 5.540 484 HA PRO 69 HA PRO 69 -3.006 -6.684 8.837 485 1HB PRO 69 HB2 PRO 69 -2.021 -8.916 7.469 486 2HB PRO 69 HB1 PRO 69 -3.719 -8.495 7.700 487 1HG PRO 69 HG2 PRO 69 -1.939 -8.027 5.362 488 2HG PRO 69 HG1 PRO 69 -3.668 -8.419 5.400 489 1HD PRO 69 HD2 PRO 69 -2.821 -5.945 4.874 490 2HD PRO 69 HD1 PRO 69 -4.279 -6.228 5.848 491 H LYS 70 HN LYS 70 -0.154 -6.817 6.693 492 HA LYS 70 HA LYS 70 1.505 -8.063 8.609 493 1HB LYS 70 HB2 LYS 70 2.002 -8.092 6.227 494 2HB LYS 70 HB1 LYS 70 2.209 -6.351 6.224 495 1HG LYS 70 HG2 LYS 70 3.917 -7.525 8.199 496 2HG LYS 70 HG1 LYS 70 4.158 -8.314 6.640 497 1HD LYS 70 HD2 LYS 70 3.966 -5.376 6.571 498 2HD LYS 70 HD1 LYS 70 5.394 -6.032 7.372 499 1HE LYS 70 HE2 LYS 70 5.481 -7.556 5.231 500 2HE LYS 70 HE1 LYS 70 4.542 -6.238 4.530 501 1HZ LYS 70 HZ1 LYS 70 6.359 -5.018 4.354 502 2HZ LYS 70 HZ2 LYS 70 7.277 -6.351 4.847 503 3HZ LYS 70 HZ3 LYS 70 6.746 -5.222 5.989 504 H GLN 71 HN GLN 71 1.172 -4.700 7.604 505 HA GLN 71 HA GLN 71 2.340 -3.921 10.195 506 1HB GLN 71 HB2 GLN 71 2.995 -2.774 7.492 507 2HB GLN 71 HB1 GLN 71 3.333 -1.917 8.989 508 1HG GLN 71 HG2 GLN 71 4.830 -3.597 9.716 509 2HG GLN 71 HG1 GLN 71 4.332 -4.686 8.422 510 1HE2 GLN 71 HE21 GLN 71 5.406 -1.304 8.619 511 2HE2 GLN 71 HE22 GLN 71 6.617 -1.440 7.395 512 H ARG 72 HN ARG 72 1.399 -2.316 11.278 513 HA ARG 72 HA ARG 72 -0.449 -0.482 10.050 514 1HB ARG 72 HB2 ARG 72 -2.293 -1.229 11.713 515 2HB ARG 72 HB1 ARG 72 -2.077 -2.141 10.226 516 1HG ARG 72 HG2 ARG 72 -1.095 -3.939 11.328 517 2HG ARG 72 HG1 ARG 72 -0.713 -2.975 12.756 518 1HD ARG 72 HD2 ARG 72 -3.112 -2.794 13.254 519 2HD ARG 72 HD1 ARG 72 -3.470 -3.795 11.847 520 HE ARG 72 HE ARG 72 -1.666 -5.111 13.596 521 1HH1 ARG 72 HH11 ARG 72 -5.032 -4.264 13.235 522 2HH1 ARG 72 HH12 ARG 72 -5.599 -5.595 14.186 523 1HH2 ARG 72 HH21 ARG 72 -2.410 -6.864 14.848 524 2HH2 ARG 72 HH22 ARG 72 -4.111 -7.072 15.102 525 HA PRO 73 HA PRO 73 0.653 2.214 13.347 526 1HB PRO 73 HB2 PRO 73 -1.842 3.037 14.276 527 2HB PRO 73 HB1 PRO 73 -0.955 3.762 12.933 528 1HG PRO 73 HG2 PRO 73 -3.169 1.760 12.884 529 2HG PRO 73 HG1 PRO 73 -2.859 3.121 11.790 530 1HD PRO 73 HD2 PRO 73 -2.296 0.608 11.067 531 2HD PRO 73 HD1 PRO 73 -1.235 1.955 10.603 532 H GLY 74 HN GLY 74 1.486 0.512 14.686 533 1HA GLY 74 HA2 GLY 74 -0.314 -0.660 16.657 534 2HA GLY 74 HA1 GLY 74 1.386 -1.050 16.434 535 1H GLU 180 HT1 GLU 180 19.826 15.808 -2.490 536 2H GLU 180 HT2 GLU 180 18.419 15.443 -1.577 537 3H GLU 180 HT3 GLU 180 18.416 15.240 -3.281 538 HA GLU 180 HA GLU 180 20.299 13.638 -2.905 539 1HB GLU 180 HB2 GLU 180 19.527 14.421 -0.202 540 2HB GLU 180 HB1 GLU 180 19.503 12.677 -0.425 541 1HG GLU 180 HG2 GLU 180 21.739 12.532 -0.610 542 2HG GLU 180 HG1 GLU 180 21.875 14.061 -1.477 543 H GLU 181 HN GLU 181 16.943 14.130 -2.113 544 HA GLU 181 HA GLU 181 16.336 11.521 -3.314 545 1HB GLU 181 HB2 GLU 181 15.035 12.661 -0.835 546 2HB GLU 181 HB1 GLU 181 14.493 11.221 -1.684 547 1HG GLU 181 HG2 GLU 181 17.106 11.607 -0.247 548 2HG GLU 181 HG1 GLU 181 15.766 10.567 0.231 549 H ARG 182 HN ARG 182 16.316 14.236 -4.398 550 HA ARG 182 HA ARG 182 13.624 15.150 -4.572 551 1HB ARG 182 HB2 ARG 182 16.227 15.890 -5.700 552 2HB ARG 182 HB1 ARG 182 14.886 16.162 -6.803 553 1HG ARG 182 HG2 ARG 182 15.398 18.146 -5.478 554 2HG ARG 182 HG1 ARG 182 13.771 17.544 -5.153 555 1HD ARG 182 HD2 ARG 182 14.515 17.932 -3.018 556 2HD ARG 182 HD1 ARG 182 14.976 16.242 -3.223 557 HE ARG 182 HE ARG 182 17.089 17.926 -4.038 558 1HH1 ARG 182 HH11 ARG 182 15.459 16.801 -1.166 559 2HH1 ARG 182 HH12 ARG 182 16.851 16.982 -0.153 560 1HH2 ARG 182 HH21 ARG 182 18.924 18.163 -2.707 561 2HH2 ARG 182 HH22 ARG 182 18.818 17.755 -1.027 562 H GLY 183 HN GLY 183 12.769 12.918 -5.036 563 1HA GLY 183 HA2 GLY 183 12.556 12.603 -7.951 564 2HA GLY 183 HA1 GLY 183 12.973 11.207 -6.973 565 H TRP 184 HN TRP 184 11.278 9.905 -6.935 566 HA TRP 184 HA TRP 184 8.616 11.071 -6.418 567 1HB TRP 184 HB2 TRP 184 7.821 8.896 -7.593 568 2HB TRP 184 HB1 TRP 184 8.473 10.188 -8.583 569 HD1 TRP 184 HD1 TRP 184 9.925 9.290 -10.402 570 HE1 TRP 184 HE1 TRP 184 11.603 7.364 -10.693 571 HE3 TRP 184 HE3 TRP 184 9.616 7.197 -5.713 572 HZ2 TRP 184 HZ2 TRP 184 12.653 5.256 -9.162 573 HZ3 TRP 184 HZ3 TRP 184 10.994 5.231 -5.239 574 HH2 TRP 184 HH2 TRP 184 12.480 4.277 -6.920 575 H LYS 185 HN LYS 185 7.298 8.615 -5.963 576 HA LYS 185 HA LYS 185 8.715 7.400 -3.730 577 1HB LYS 185 HB2 LYS 185 7.396 8.209 -2.117 578 2HB LYS 185 HB1 LYS 185 6.876 9.392 -3.296 579 1HG LYS 185 HG2 LYS 185 5.229 7.219 -3.759 580 2HG LYS 185 HG1 LYS 185 5.405 7.276 -2.012 581 1HD LYS 185 HD2 LYS 185 4.012 8.966 -1.891 582 2HD LYS 185 HD1 LYS 185 5.045 9.916 -2.960 583 1HE LYS 185 HE2 LYS 185 3.826 8.281 -4.744 584 2HE LYS 185 HE1 LYS 185 2.555 8.456 -3.535 585 1HZ LYS 185 HZ1 LYS 185 3.687 10.441 -5.340 586 2HZ LYS 185 HZ2 LYS 185 3.282 10.980 -3.789 587 3HZ LYS 185 HZ3 LYS 185 2.103 10.273 -4.772 588 H HIS 186 HN HIS 186 8.558 5.268 -3.744 589 HA HIS 186 HA HIS 186 6.202 3.977 -4.916 590 1HB HIS 186 HB2 HIS 186 8.133 4.219 -6.607 591 2HB HIS 186 HB1 HIS 186 8.950 2.995 -5.647 592 HD1 HIS 186 HD1 HIS 186 8.405 0.620 -6.199 593 HD2 HIS 186 HD2 HIS 186 5.576 3.273 -7.686 594 HE1 HIS 186 HE1 HIS 186 6.847 -0.772 -7.597 595 HE2 HIS 186 HE2 HIS 186 5.086 0.839 -8.405 596 H TRP 187 HN TRP 187 5.631 2.048 -3.937 597 HA TRP 187 HA TRP 187 7.407 1.065 -1.788 598 1HB TRP 187 HB2 TRP 187 4.866 2.331 -1.573 599 2HB TRP 187 HB1 TRP 187 4.693 0.665 -1.043 600 HD1 TRP 187 HD1 TRP 187 5.560 3.956 0.186 601 HE1 TRP 187 HE1 TRP 187 6.668 3.875 2.467 602 HE3 TRP 187 HE3 TRP 187 6.613 -1.024 0.363 603 HZ2 TRP 187 HZ2 TRP 187 7.811 1.925 4.179 604 HZ3 TRP 187 HZ3 TRP 187 7.756 -1.899 2.337 605 HH2 TRP 187 HH2 TRP 187 8.318 -0.467 4.224 606 H VAL 188 HN VAL 188 7.239 -1.072 -1.205 607 HA VAL 188 HA VAL 188 5.532 -2.816 -2.820 608 HB VAL 188 HB VAL 188 8.223 -3.880 -2.070 609 1HG1 VAL 188 HG11 VAL 188 7.534 -5.520 -3.395 610 2HG1 VAL 188 HG12 VAL 188 7.423 -4.405 -4.755 611 3HG1 VAL 188 HG13 VAL 188 6.033 -4.647 -3.698 612 1HG2 VAL 188 HG21 VAL 188 8.973 -1.829 -2.967 613 2HG2 VAL 188 HG22 VAL 188 7.777 -1.865 -4.262 614 3HG2 VAL 188 HG23 VAL 188 9.121 -3.006 -4.272 615 H TYR 189 HN TYR 189 4.113 -2.972 -0.939 616 HA TYR 189 HA TYR 189 5.369 -4.133 1.447 617 1HB TYR 189 HB2 TYR 189 2.904 -2.556 0.972 618 2HB TYR 189 HB1 TYR 189 2.803 -3.800 2.213 619 HD1 TYR 189 HD1 TYR 189 3.418 -0.463 1.672 620 HD2 TYR 189 HD2 TYR 189 4.954 -3.732 3.880 621 HE1 TYR 189 HE1 TYR 189 4.349 1.105 3.283 622 HE2 TYR 189 HE2 TYR 189 5.925 -2.173 5.515 623 HH TYR 189 HH TYR 189 5.059 1.056 5.708 624 H TYR 190 HN TYR 190 5.283 -6.209 1.834 625 HA TYR 190 HA TYR 190 3.245 -7.802 0.437 626 1HB TYR 190 HB2 TYR 190 5.955 -8.664 1.479 627 2HB TYR 190 HB1 TYR 190 4.785 -9.729 0.716 628 HD1 TYR 190 HD1 TYR 190 4.446 -6.816 -1.065 629 HD2 TYR 190 HD2 TYR 190 7.253 -9.950 -0.463 630 HE1 TYR 190 HE1 TYR 190 5.445 -6.324 -3.237 631 HE2 TYR 190 HE2 TYR 190 8.266 -9.477 -2.651 632 HH TYR 190 HH TYR 190 7.685 -8.418 -4.755 633 H THR 191 HN THR 191 1.737 -8.849 1.683 634 HA THR 191 HA THR 191 1.863 -8.489 4.521 635 HB THR 191 HB THR 191 -0.163 -9.526 4.727 636 HG1 THR 191 HG1 THR 191 0.705 -11.146 2.634 637 1HG2 THR 191 HG21 THR 191 -0.490 -7.655 3.212 638 2HG2 THR 191 HG22 THR 191 -1.624 -8.963 2.881 639 3HG2 THR 191 HG23 THR 191 -0.224 -8.727 1.835 640 H CYS 192 HN CYS 192 2.803 -9.689 6.019 641 HA CYS 192 HA CYS 192 2.935 -12.415 6.258 642 1HB CYS 192 HB2 CYS 192 4.112 -13.167 4.460 643 2HB CYS 192 HB1 CYS 192 4.674 -11.550 4.052 644 H CYS 193 HN CYS 193 5.198 -9.802 6.020 645 HA CYS 193 HA CYS 193 6.248 -10.505 8.678 646 1HB CYS 193 HB2 CYS 193 8.362 -9.597 7.043 647 2HB CYS 193 HB1 CYS 193 8.084 -11.233 7.633 648 HA PRO 194 HA PRO 194 5.128 -6.147 9.234 649 1HB PRO 194 HB2 PRO 194 6.142 -7.044 11.888 650 2HB PRO 194 HB1 PRO 194 4.705 -6.088 11.503 651 1HG PRO 194 HG2 PRO 194 4.435 -8.623 12.146 652 2HG PRO 194 HG1 PRO 194 3.517 -7.971 10.772 653 1HD PRO 194 HD2 PRO 194 6.005 -9.637 10.769 654 2HD PRO 194 HD1 PRO 194 4.577 -9.744 9.718 655 H ASP 195 HN ASP 195 8.159 -7.810 9.829 656 HA ASP 195 HA ASP 195 9.499 -5.189 9.990 657 1HB ASP 195 HB2 ASP 195 9.972 -7.752 11.411 658 2HB ASP 195 HB1 ASP 195 11.386 -6.792 10.989 659 H THR 196 HN THR 196 8.835 -6.885 7.552 660 HA THR 196 HA THR 196 11.532 -6.726 6.437 661 HB THR 196 HB THR 196 11.638 -8.863 5.601 662 HG1 THR 196 HG1 THR 196 9.762 -9.011 4.476 663 1HG2 THR 196 HG21 THR 196 10.010 -9.143 8.107 664 2HG2 THR 196 HG22 THR 196 11.762 -9.238 7.928 665 3HG2 THR 196 HG23 THR 196 10.736 -10.507 7.258 666 HA PRO 197 HA PRO 197 8.110 -5.135 3.626 667 1HB PRO 197 HB2 PRO 197 8.271 -2.496 4.050 668 2HB PRO 197 HB1 PRO 197 7.320 -3.534 5.115 669 1HG PRO 197 HG2 PRO 197 10.055 -2.400 5.524 670 2HG PRO 197 HG1 PRO 197 8.718 -2.542 6.680 671 1HD PRO 197 HD2 PRO 197 10.840 -4.287 6.546 672 2HD PRO 197 HD1 PRO 197 9.245 -4.702 7.201 673 H TYR 198 HN TYR 198 8.585 -4.597 1.538 674 HA TYR 198 HA TYR 198 11.363 -3.781 1.022 675 1HB TYR 198 HB2 TYR 198 9.507 -4.801 -1.107 676 2HB TYR 198 HB1 TYR 198 11.261 -4.847 -1.057 677 HD1 TYR 198 HD1 TYR 198 11.156 -5.940 1.938 678 HD2 TYR 198 HD2 TYR 198 9.438 -7.100 -1.765 679 HE1 TYR 198 HE1 TYR 198 11.033 -8.259 2.725 680 HE2 TYR 198 HE2 TYR 198 9.315 -9.392 -0.998 681 HH TYR 198 HH TYR 198 9.797 -10.303 2.259 682 H LEU 199 HN LEU 199 11.652 -1.721 0.621 683 HA LEU 199 HA LEU 199 9.398 -0.135 -0.351 684 1HB LEU 199 HB2 LEU 199 12.048 0.764 0.760 685 2HB LEU 199 HB1 LEU 199 10.700 1.797 0.349 686 HG LEU 199 HG LEU 199 9.407 0.971 2.151 687 1HD1 LEU 199 HD11 LEU 199 11.608 -1.052 2.473 688 2HD1 LEU 199 HD12 LEU 199 9.881 -1.338 2.259 689 3HD1 LEU 199 HD13 LEU 199 10.482 -0.673 3.776 690 1HD2 LEU 199 HD21 LEU 199 10.644 1.809 3.986 691 2HD2 LEU 199 HD22 LEU 199 11.202 2.684 2.560 692 3HD2 LEU 199 HD23 LEU 199 12.180 1.379 3.232 693 H ASP 200 HN ASP 200 10.068 1.756 -1.782 694 HA ASP 200 HA ASP 200 12.167 1.035 -3.678 695 1HB ASP 200 HB2 ASP 200 10.081 0.080 -4.573 696 2HB ASP 200 HB1 ASP 200 9.328 1.669 -4.505 697 H ILE 201 HN ILE 201 13.457 2.698 -3.443 698 HA ILE 201 HA ILE 201 12.484 5.373 -4.063 699 HB ILE 201 HB ILE 201 12.323 5.542 -1.730 700 1HG1 ILE 201 HG12 ILE 201 14.016 7.163 -3.018 701 2HG1 ILE 201 HG11 ILE 201 13.697 7.319 -1.296 702 1HG2 ILE 201 HG21 ILE 201 14.898 3.993 -1.571 703 2HG2 ILE 201 HG22 ILE 201 13.293 3.480 -1.050 704 3HG2 ILE 201 HG23 ILE 201 14.130 4.770 -0.187 705 1HD1 ILE 201 HD11 ILE 201 15.725 6.039 -0.812 706 2HD1 ILE 201 HD12 ILE 201 16.067 7.484 -1.760 707 3HD1 ILE 201 HD13 ILE 201 16.046 5.905 -2.540 708 H THR 202 HN THR 202 14.069 6.724 -4.940 709 HA THR 202 HA THR 202 16.222 5.402 -6.241 710 HB THR 202 HB THR 202 15.075 7.299 -7.269 711 HG1 THR 202 HG1 THR 202 16.921 8.388 -7.955 712 1HG2 THR 202 HG21 THR 202 16.336 9.488 -5.989 713 2HG2 THR 202 HG22 THR 202 15.458 8.563 -4.771 714 3HG2 THR 202 HG23 THR 202 14.615 9.169 -6.197 715 H GLU 203 HN GLU 203 18.171 4.957 -5.481 716 HA GLU 203 HA GLU 203 19.032 5.824 -2.915 717 1HB GLU 203 HB2 GLU 203 20.225 4.187 -5.115 718 2HB GLU 203 HB1 GLU 203 21.269 4.768 -3.825 719 1HG GLU 203 HG2 GLU 203 20.675 2.979 -2.669 720 2HG GLU 203 HG1 GLU 203 19.078 3.707 -2.502 721 H GLU 204 HN GLU 204 20.928 6.136 -5.903 722 HA GLU 204 HA GLU 204 22.300 8.435 -4.921 723 1HB GLU 204 HB2 GLU 204 23.413 8.464 -7.082 724 2HB GLU 204 HB1 GLU 204 23.346 6.821 -6.463 725 1HG GLU 204 HG2 GLU 204 22.242 6.109 -8.245 726 2HG GLU 204 HG1 GLU 204 21.047 7.396 -8.099 Start of MODEL 2 1 1H ILE 1 HT1 ILE 1 -12.298 13.981 3.653 2 2H ILE 1 HT2 ILE 1 -10.974 13.809 2.575 3 3H ILE 1 HT3 ILE 1 -10.861 14.878 3.914 4 HA ILE 1 HA ILE 1 -10.840 13.146 5.435 5 HB ILE 1 HB ILE 1 -10.856 10.749 4.490 6 1HG1 ILE 1 HG12 ILE 1 -12.420 12.187 2.335 7 2HG1 ILE 1 HG11 ILE 1 -10.877 11.367 2.112 8 1HG2 ILE 1 HG21 ILE 1 -13.596 11.841 4.364 9 2HG2 ILE 1 HG22 ILE 1 -12.668 12.210 5.817 10 3HG2 ILE 1 HG23 ILE 1 -12.935 10.532 5.346 11 1HD1 ILE 1 HD11 ILE 1 -11.833 9.254 2.432 12 2HD1 ILE 1 HD12 ILE 1 -12.968 10.125 1.398 13 3HD1 ILE 1 HD13 ILE 1 -13.309 9.934 3.119 14 H VAL 2 HN VAL 2 -9.181 11.506 5.753 15 HA VAL 2 HA VAL 2 -6.744 12.304 4.351 16 HB VAL 2 HB VAL 2 -7.071 10.715 6.904 17 1HG1 VAL 2 HG11 VAL 2 -4.692 11.581 7.247 18 2HG1 VAL 2 HG12 VAL 2 -4.712 11.991 5.532 19 3HG1 VAL 2 HG13 VAL 2 -4.915 10.314 6.039 20 1HG2 VAL 2 HG21 VAL 2 -7.772 13.342 6.581 21 2HG2 VAL 2 HG22 VAL 2 -6.099 13.468 7.122 22 3HG2 VAL 2 HG23 VAL 2 -7.279 12.598 8.101 23 H CYS 3 HN CYS 3 -5.077 10.439 4.107 24 HA CYS 3 HA CYS 3 -6.261 7.828 3.747 25 1HB CYS 3 HB2 CYS 3 -6.655 9.433 1.680 26 2HB CYS 3 HB1 CYS 3 -5.007 8.950 1.289 27 H HIS 4 HN HIS 4 -4.823 6.212 3.891 28 HA HIS 4 HA HIS 4 -2.085 6.782 4.545 29 1HB HIS 4 HB2 HIS 4 -3.779 4.333 4.380 30 2HB HIS 4 HB1 HIS 4 -2.047 4.115 4.211 31 HD1 HIS 4 HD1 HIS 4 -4.510 5.582 6.690 32 HD2 HIS 4 HD2 HIS 4 -0.744 3.858 6.557 33 HE1 HIS 4 HE1 HIS 4 -3.821 5.301 9.091 34 HE2 HIS 4 HE2 HIS 4 -1.582 4.153 8.984 35 H THR 5 HN THR 5 -0.353 5.499 3.511 36 HA THR 5 HA THR 5 -0.541 4.610 0.866 37 HB THR 5 HB THR 5 -0.640 7.293 0.852 38 HG1 THR 5 HG1 THR 5 -0.895 6.130 -0.995 39 1HG2 THR 5 HG21 THR 5 1.834 7.112 1.774 40 2HG2 THR 5 HG22 THR 5 1.315 8.376 0.659 41 3HG2 THR 5 HG23 THR 5 2.174 6.960 0.051 42 H THR 6 HN THR 6 1.681 4.157 -0.006 43 HA THR 6 HA THR 6 3.177 2.890 2.026 44 HB THR 6 HB THR 6 4.354 1.939 0.312 45 HG1 THR 6 HG1 THR 6 3.770 4.093 -1.417 46 1HG2 THR 6 HG21 THR 6 1.805 1.791 0.060 47 2HG2 THR 6 HG22 THR 6 2.858 1.210 -1.238 48 3HG2 THR 6 HG23 THR 6 2.084 2.790 -1.373 49 H ALA 7 HN ALA 7 4.097 5.586 -0.161 50 HA ALA 7 HA ALA 7 5.435 7.378 0.204 51 1HB ALA 7 HB1 ALA 7 4.712 6.673 2.824 52 2HB ALA 7 HB2 ALA 7 5.313 8.221 2.220 53 3HB ALA 7 HB3 ALA 7 6.444 7.013 2.820 54 H THR 8 HN THR 8 7.272 7.490 -0.676 55 HA THR 8 HA THR 8 9.070 5.598 -1.254 56 HB THR 8 HB THR 8 9.635 7.453 -2.348 57 HG1 THR 8 HG1 THR 8 11.197 8.058 -0.069 58 1HG2 THR 8 HG21 THR 8 8.125 9.019 -1.538 59 2HG2 THR 8 HG22 THR 8 9.706 9.762 -1.279 60 3HG2 THR 8 HG23 THR 8 8.849 9.018 0.072 61 H SER 9 HN SER 9 8.743 7.082 1.892 62 HA SER 9 HA SER 9 11.129 5.618 2.782 63 1HB SER 9 HB2 SER 9 9.648 7.946 3.982 64 2HB SER 9 HB1 SER 9 10.730 6.938 4.950 65 HG SER 9 HG SER 9 12.426 7.534 3.659 66 HA PRO 10 HA PRO 10 7.882 3.372 5.197 67 1HB PRO 10 HB2 PRO 10 6.985 4.330 7.460 68 2HB PRO 10 HB1 PRO 10 8.744 4.285 7.240 69 1HG PRO 10 HG2 PRO 10 6.876 6.592 7.098 70 2HG PRO 10 HG1 PRO 10 8.560 6.547 7.652 71 1HD PRO 10 HD2 PRO 10 7.559 7.223 5.034 72 2HD PRO 10 HD1 PRO 10 9.243 7.190 5.590 73 H ILE 11 HN ILE 11 5.475 3.159 5.924 74 HA ILE 11 HA ILE 11 3.740 4.045 3.958 75 HB ILE 11 HB ILE 11 2.522 3.682 6.650 76 1HG1 ILE 11 HG12 ILE 11 3.961 1.475 5.180 77 2HG1 ILE 11 HG11 ILE 11 4.290 2.051 6.808 78 1HG2 ILE 11 HG21 ILE 11 1.060 2.131 5.240 79 2HG2 ILE 11 HG22 ILE 11 1.927 2.774 3.843 80 3HG2 ILE 11 HG23 ILE 11 0.987 3.856 4.876 81 1HD1 ILE 11 HD11 ILE 11 3.134 -0.010 6.980 82 2HD1 ILE 11 HD12 ILE 11 1.883 0.527 5.859 83 3HD1 ILE 11 HD13 ILE 11 2.014 1.266 7.455 84 H SER 12 HN SER 12 2.900 6.067 3.487 85 HA SER 12 HA SER 12 3.234 8.146 5.537 86 1HB SER 12 HB2 SER 12 3.454 9.712 3.847 87 2HB SER 12 HB1 SER 12 3.953 8.300 2.933 88 HG SER 12 HG SER 12 1.278 8.562 2.837 89 H ALA 13 HN ALA 13 1.401 10.011 4.757 90 HA ALA 13 HA ALA 13 -1.221 8.855 4.564 91 1HB ALA 13 HB1 ALA 13 -1.628 8.635 6.737 92 2HB ALA 13 HB2 ALA 13 -1.525 10.390 6.876 93 3HB ALA 13 HB3 ALA 13 -0.094 9.398 7.157 94 H VAL 14 HN VAL 14 -1.709 10.158 2.888 95 HA VAL 14 HA VAL 14 -1.483 13.069 3.269 96 HB VAL 14 HB VAL 14 -1.626 13.286 0.846 97 1HG1 VAL 14 HG11 VAL 14 0.540 12.705 0.404 98 2HG1 VAL 14 HG12 VAL 14 0.390 11.125 1.171 99 3HG1 VAL 14 HG13 VAL 14 0.541 12.575 2.162 100 1HG2 VAL 14 HG21 VAL 14 -1.317 10.884 -0.327 101 2HG2 VAL 14 HG22 VAL 14 -2.881 11.672 -0.122 102 3HG2 VAL 14 HG23 VAL 14 -2.363 10.432 1.020 103 H THR 15 HN THR 15 -3.326 13.915 1.372 104 HA THR 15 HA THR 15 -5.867 12.887 2.458 105 HB THR 15 HB THR 15 -5.254 15.186 3.242 106 HG1 THR 15 HG1 THR 15 -7.310 16.065 2.710 107 1HG2 THR 15 HG21 THR 15 -5.705 15.966 0.375 108 2HG2 THR 15 HG22 THR 15 -4.156 16.004 1.217 109 3HG2 THR 15 HG23 THR 15 -5.469 17.060 1.737 110 H CYS 16 HN CYS 16 -7.704 12.962 1.032 111 HA CYS 16 HA CYS 16 -6.945 12.461 -1.739 112 1HB CYS 16 HB2 CYS 16 -9.590 12.078 -0.325 113 2HB CYS 16 HB1 CYS 16 -9.227 11.568 -1.968 114 HA PRO 17 HA PRO 17 -8.391 16.701 -2.463 115 1HB PRO 17 HB2 PRO 17 -6.947 16.631 -4.964 116 2HB PRO 17 HB1 PRO 17 -6.622 17.580 -3.517 117 1HG PRO 17 HG2 PRO 17 -5.033 15.523 -4.388 118 2HG PRO 17 HG1 PRO 17 -5.120 16.073 -2.707 119 1HD PRO 17 HD2 PRO 17 -6.400 13.701 -3.995 120 2HD PRO 17 HD1 PRO 17 -5.715 13.873 -2.375 121 HA PRO 18 HA PRO 18 -10.343 15.914 -6.806 122 1HB PRO 18 HB2 PRO 18 -9.742 13.097 -7.434 123 2HB PRO 18 HB1 PRO 18 -9.618 14.530 -8.457 124 1HG PRO 18 HG2 PRO 18 -7.438 13.290 -7.524 125 2HG PRO 18 HG1 PRO 18 -7.502 15.054 -7.698 126 1HD PRO 18 HD2 PRO 18 -7.809 13.378 -5.235 127 2HD PRO 18 HD1 PRO 18 -6.921 14.894 -5.464 128 H GLY 19 HN GLY 19 -11.871 13.868 -7.788 129 1HA GLY 19 HA2 GLY 19 -13.916 13.662 -5.822 130 2HA GLY 19 HA1 GLY 19 -13.922 12.902 -7.408 131 H GLU 20 HN GLU 20 -11.168 11.768 -6.451 132 HA GLU 20 HA GLU 20 -12.282 9.292 -5.450 133 1HB GLU 20 HB2 GLU 20 -9.443 10.109 -6.113 134 2HB GLU 20 HB1 GLU 20 -9.924 8.492 -5.623 135 1HG GLU 20 HG2 GLU 20 -10.614 7.967 -7.666 136 2HG GLU 20 HG1 GLU 20 -11.491 9.486 -7.851 137 H ASN 21 HN ASN 21 -12.845 9.415 -3.326 138 HA ASN 21 HA ASN 21 -10.781 10.408 -1.466 139 1HB ASN 21 HB2 ASN 21 -13.634 10.316 -0.612 140 2HB ASN 21 HB1 ASN 21 -12.355 11.423 -0.126 141 1HD2 ASN 21 HD21 ASN 21 -14.493 10.564 -2.770 142 2HD2 ASN 21 HD22 ASN 21 -14.589 12.150 -3.457 143 H LEU 22 HN LEU 22 -12.209 7.710 -2.608 144 HA LEU 22 HA LEU 22 -12.515 6.350 -0.089 145 1HB LEU 22 HB2 LEU 22 -13.454 5.993 -2.746 146 2HB LEU 22 HB1 LEU 22 -12.606 4.535 -2.261 147 HG LEU 22 HG LEU 22 -14.000 4.660 -0.133 148 1HD1 LEU 22 HD11 LEU 22 -14.997 6.719 -0.085 149 2HD1 LEU 22 HD12 LEU 22 -16.298 5.724 -0.744 150 3HD1 LEU 22 HD13 LEU 22 -15.319 6.722 -1.821 151 1HD2 LEU 22 HD21 LEU 22 -14.313 3.292 -2.444 152 2HD2 LEU 22 HD22 LEU 22 -15.869 4.118 -2.335 153 3HD2 LEU 22 HD23 LEU 22 -15.332 3.073 -1.020 154 H CYS 23 HN CYS 23 -10.773 5.755 0.940 155 HA CYS 23 HA CYS 23 -8.258 5.257 -0.258 156 1HB CYS 23 HB2 CYS 23 -9.336 4.711 2.481 157 2HB CYS 23 HB1 CYS 23 -7.667 4.445 2.031 158 H TYR 24 HN TYR 24 -7.447 3.405 -1.076 159 HA TYR 24 HA TYR 24 -9.034 0.974 -0.604 160 1HB TYR 24 HB2 TYR 24 -8.303 0.171 -2.781 161 2HB TYR 24 HB1 TYR 24 -9.051 1.756 -2.943 162 HD1 TYR 24 HD1 TYR 24 -7.730 3.718 -3.454 163 HD2 TYR 24 HD2 TYR 24 -5.918 -0.141 -3.250 164 HE1 TYR 24 HE1 TYR 24 -5.752 4.576 -4.629 165 HE2 TYR 24 HE2 TYR 24 -3.953 0.719 -4.411 166 HH TYR 24 HH TYR 24 -3.897 3.682 -6.021 167 H ARG 25 HN ARG 25 -7.997 -1.001 -0.500 168 HA ARG 25 HA ARG 25 -5.190 -0.913 0.357 169 1HB ARG 25 HB2 ARG 25 -7.578 -2.220 1.529 170 2HB ARG 25 HB1 ARG 25 -6.125 -3.208 1.470 171 1HG ARG 25 HG2 ARG 25 -5.751 -0.476 2.487 172 2HG ARG 25 HG1 ARG 25 -6.750 -1.531 3.486 173 1HD ARG 25 HD2 ARG 25 -4.082 -1.399 3.685 174 2HD ARG 25 HD1 ARG 25 -5.009 -2.843 4.071 175 HE ARG 25 HE ARG 25 -3.406 -2.392 1.653 176 1HH1 ARG 25 HH11 ARG 25 -5.349 -4.544 3.613 177 2HH1 ARG 25 HH12 ARG 25 -4.769 -5.972 2.830 178 1HH2 ARG 25 HH21 ARG 25 -2.650 -4.278 0.633 179 2HH2 ARG 25 HH22 ARG 25 -3.237 -5.824 1.148 180 H LYS 26 HN LYS 26 -4.764 -1.149 -1.911 181 HA LYS 26 HA LYS 26 -5.663 -3.375 -3.417 182 1HB LYS 26 HB2 LYS 26 -3.921 -1.097 -3.760 183 2HB LYS 26 HB1 LYS 26 -3.211 -2.541 -4.463 184 1HG LYS 26 HG2 LYS 26 -5.850 -2.596 -5.308 185 2HG LYS 26 HG1 LYS 26 -5.383 -0.898 -5.415 186 1HD LYS 26 HD2 LYS 26 -4.101 -3.273 -6.742 187 2HD LYS 26 HD1 LYS 26 -4.834 -1.861 -7.505 188 1HE LYS 26 HE2 LYS 26 -2.597 -1.309 -5.667 189 2HE LYS 26 HE1 LYS 26 -2.176 -2.186 -7.132 190 1HZ LYS 26 HZ1 LYS 26 -2.636 -0.415 -8.438 191 2HZ LYS 26 HZ2 LYS 26 -2.277 0.448 -7.028 192 3HZ LYS 26 HZ3 LYS 26 -3.888 0.152 -7.451 193 H MET 27 HN MET 27 -4.784 -5.322 -3.805 194 HA MET 27 HA MET 27 -2.164 -5.960 -2.891 195 1HB MET 27 HB2 MET 27 -3.417 -5.991 -0.765 196 2HB MET 27 HB1 MET 27 -4.532 -7.157 -1.454 197 1HG MET 27 HG2 MET 27 -1.953 -8.235 -1.753 198 2HG MET 27 HG1 MET 27 -2.063 -7.608 -0.111 199 1HE MET 27 HE1 MET 27 -3.800 -10.259 1.735 200 2HE MET 27 HE2 MET 27 -3.851 -8.496 1.705 201 3HE MET 27 HE3 MET 27 -2.310 -9.337 1.534 202 H TRP 28 HN TRP 28 -1.424 -7.881 -3.555 203 HA TRP 28 HA TRP 28 -3.119 -9.857 -4.709 204 1HB TRP 28 HB2 TRP 28 -1.979 -9.870 -6.932 205 2HB TRP 28 HB1 TRP 28 -3.054 -8.511 -6.651 206 HD1 TRP 28 HD1 TRP 28 0.489 -9.384 -7.387 207 HE1 TRP 28 HE1 TRP 28 1.849 -7.226 -7.787 208 HE3 TRP 28 HE3 TRP 28 -2.942 -5.998 -5.767 209 HZ2 TRP 28 HZ2 TRP 28 1.481 -4.436 -7.449 210 HZ3 TRP 28 HZ3 TRP 28 -2.375 -3.621 -5.822 211 HH2 TRP 28 HH2 TRP 28 -0.212 -2.845 -6.641 212 H CYS 29 HN CYS 29 -0.397 -10.624 -6.274 213 HA CYS 29 HA CYS 29 0.740 -11.732 -3.809 214 1HB CYS 29 HB2 CYS 29 0.824 -13.830 -4.649 215 2HB CYS 29 HB1 CYS 29 -0.491 -13.228 -5.648 216 H ASP 30 HN ASP 30 2.678 -11.248 -3.296 217 HA ASP 30 HA ASP 30 4.676 -10.693 -5.370 218 1HB ASP 30 HB2 ASP 30 3.681 -8.792 -3.415 219 2HB ASP 30 HB1 ASP 30 5.399 -9.076 -3.192 220 H ALA 31 HN ALA 31 5.162 -12.911 -4.885 221 HA ALA 31 HA ALA 31 6.888 -14.232 -4.109 222 1HB ALA 31 HB1 ALA 31 8.394 -13.512 -2.647 223 2HB ALA 31 HB2 ALA 31 7.170 -13.043 -1.473 224 3HB ALA 31 HB3 ALA 31 7.570 -11.964 -2.808 225 H PHE 32 HN PHE 32 4.004 -13.397 -2.254 226 HA PHE 32 HA PHE 32 4.255 -15.619 -0.471 227 1HB PHE 32 HB2 PHE 32 2.521 -13.585 -0.452 228 2HB PHE 32 HB1 PHE 32 1.528 -14.760 -1.299 229 HD1 PHE 32 HD1 PHE 32 3.997 -15.176 1.435 230 HD2 PHE 32 HD2 PHE 32 -0.063 -15.518 0.214 231 HE1 PHE 32 HE1 PHE 32 3.442 -16.237 3.590 232 HE2 PHE 32 HE2 PHE 32 -0.628 -16.577 2.363 233 HZ PHE 32 HZ PHE 32 1.125 -16.939 4.053 234 H CYS 33 HN CYS 33 2.962 -15.054 -3.645 235 HA CYS 33 HA CYS 33 1.933 -17.689 -4.004 236 1HB CYS 33 HB2 CYS 33 1.979 -17.017 -6.462 237 2HB CYS 33 HB1 CYS 33 1.013 -15.979 -5.417 238 H SER 34 HN SER 34 4.919 -15.992 -4.391 239 HA SER 34 HA SER 34 6.278 -18.275 -5.571 240 1HB SER 34 HB2 SER 34 6.673 -15.454 -5.625 241 2HB SER 34 HB1 SER 34 8.094 -16.182 -4.876 242 HG SER 34 HG SER 34 7.909 -15.989 -7.318 243 H SER 35 HN SER 35 7.416 -16.063 -3.011 244 HA SER 35 HA SER 35 7.740 -18.346 -1.212 245 1HB SER 35 HB2 SER 35 10.091 -17.724 -0.737 246 2HB SER 35 HB1 SER 35 9.833 -18.253 -2.399 247 HG SER 35 HG SER 35 10.079 -16.215 -3.105 248 H ARG 36 HN ARG 36 8.300 -14.787 -1.375 249 HA ARG 36 HA ARG 36 8.317 -14.564 1.456 250 1HB ARG 36 HB2 ARG 36 8.002 -12.165 -0.306 251 2HB ARG 36 HB1 ARG 36 8.812 -12.313 1.239 252 1HG ARG 36 HG2 ARG 36 10.389 -13.933 -0.054 253 2HG ARG 36 HG1 ARG 36 9.762 -13.093 -1.472 254 1HD ARG 36 HD2 ARG 36 11.805 -12.032 -0.708 255 2HD ARG 36 HD1 ARG 36 10.434 -10.946 -0.482 256 HE ARG 36 HE ARG 36 10.765 -12.343 1.893 257 1HH1 ARG 36 HH11 ARG 36 12.580 -10.079 -0.041 258 2HH1 ARG 36 HH12 ARG 36 13.419 -9.401 1.313 259 1HH2 ARG 36 HH21 ARG 36 11.865 -11.457 3.679 260 2HH2 ARG 36 HH22 ARG 36 13.013 -10.183 3.428 261 H GLY 37 HN GLY 37 6.207 -12.230 -0.268 262 1HA GLY 37 HA2 GLY 37 3.933 -13.285 1.264 263 2HA GLY 37 HA1 GLY 37 4.491 -11.676 1.657 264 H LYS 38 HN LYS 38 2.214 -11.148 1.166 265 HA LYS 38 HA LYS 38 1.521 -11.171 -1.669 266 1HB LYS 38 HB2 LYS 38 0.054 -11.100 0.841 267 2HB LYS 38 HB1 LYS 38 -0.536 -9.899 -0.299 268 1HG LYS 38 HG2 LYS 38 -1.792 -11.562 -1.090 269 2HG LYS 38 HG1 LYS 38 -0.311 -12.102 -1.884 270 1HD LYS 38 HD2 LYS 38 -1.306 -13.963 -0.721 271 2HD LYS 38 HD1 LYS 38 0.189 -13.498 0.091 272 1HE LYS 38 HE2 LYS 38 -2.113 -12.084 1.147 273 2HE LYS 38 HE1 LYS 38 -2.299 -13.833 1.268 274 1HZ LYS 38 HZ1 LYS 38 0.245 -12.635 2.098 275 2HZ LYS 38 HZ2 LYS 38 -0.536 -14.016 2.683 276 3HZ LYS 38 HZ3 LYS 38 -1.089 -12.482 3.128 277 H VAL 39 HN VAL 39 1.009 -9.345 -2.830 278 HA VAL 39 HA VAL 39 2.614 -7.058 -2.403 279 HB VAL 39 HB VAL 39 0.222 -7.231 -4.189 280 1HG1 VAL 39 HG11 VAL 39 0.919 -5.168 -4.694 281 2HG1 VAL 39 HG12 VAL 39 2.247 -5.953 -5.546 282 3HG1 VAL 39 HG13 VAL 39 2.467 -5.402 -3.884 283 1HG2 VAL 39 HG21 VAL 39 2.525 -7.915 -5.657 284 2HG2 VAL 39 HG22 VAL 39 1.104 -8.900 -5.313 285 3HG2 VAL 39 HG23 VAL 39 2.470 -8.935 -4.227 286 H VAL 40 HN VAL 40 2.132 -5.024 -1.618 287 HA VAL 40 HA VAL 40 -0.654 -4.402 -0.957 288 HB VAL 40 HB VAL 40 1.541 -3.926 1.047 289 1HG1 VAL 40 HG11 VAL 40 -1.096 -2.941 0.769 290 2HG1 VAL 40 HG12 VAL 40 0.028 -2.694 2.105 291 3HG1 VAL 40 HG13 VAL 40 -1.091 -4.056 2.135 292 1HG2 VAL 40 HG21 VAL 40 -0.578 -6.022 1.294 293 2HG2 VAL 40 HG22 VAL 40 0.897 -5.833 2.244 294 3HG2 VAL 40 HG23 VAL 40 0.986 -6.381 0.570 295 H GLU 41 HN GLU 41 -1.212 -2.484 -1.625 296 HA GLU 41 HA GLU 41 0.679 -0.245 -1.516 297 1HB GLU 41 HB2 GLU 41 -0.833 0.240 -3.830 298 2HB GLU 41 HB1 GLU 41 0.886 -0.110 -3.740 299 1HG GLU 41 HG2 GLU 41 -1.005 -2.388 -3.731 300 2HG GLU 41 HG1 GLU 41 -0.754 -1.511 -5.239 301 H LEU 42 HN LEU 42 -0.271 1.453 -0.563 302 HA LEU 42 HA LEU 42 -3.190 1.388 -0.243 303 1HB LEU 42 HB2 LEU 42 -1.485 3.234 1.342 304 2HB LEU 42 HB1 LEU 42 -2.932 2.367 1.813 305 HG LEU 42 HG LEU 42 -0.169 1.194 1.524 306 1HD1 LEU 42 HD11 LEU 42 -0.880 2.689 3.545 307 2HD1 LEU 42 HD12 LEU 42 0.005 1.187 3.804 308 3HD1 LEU 42 HD13 LEU 42 -1.741 1.237 4.053 309 1HD2 LEU 42 HD21 LEU 42 -2.757 -0.052 1.435 310 2HD2 LEU 42 HD22 LEU 42 -1.878 -0.579 2.871 311 3HD2 LEU 42 HD23 LEU 42 -1.156 -0.776 1.273 312 H GLY 43 HN GLY 43 -4.463 2.936 -1.099 313 1HA GLY 43 HA2 GLY 43 -3.331 5.531 -1.785 314 2HA GLY 43 HA1 GLY 43 -3.866 4.556 -3.142 315 H CYS 44 HN CYS 44 -5.350 6.234 -3.646 316 HA CYS 44 HA CYS 44 -7.854 6.033 -2.133 317 1HB CYS 44 HB2 CYS 44 -6.496 8.096 -1.477 318 2HB CYS 44 HB1 CYS 44 -6.783 8.683 -3.111 319 H ALA 45 HN ALA 45 -9.311 5.268 -3.592 320 HA ALA 45 HA ALA 45 -9.100 6.225 -6.368 321 1HB ALA 45 HB1 ALA 45 -9.647 4.172 -7.130 322 2HB ALA 45 HB2 ALA 45 -10.749 3.850 -5.792 323 3HB ALA 45 HB3 ALA 45 -9.010 3.664 -5.567 324 H ALA 46 HN ALA 46 -11.430 5.782 -7.433 325 HA ALA 46 HA ALA 46 -13.358 7.285 -5.792 326 1HB ALA 46 HB1 ALA 46 -12.387 7.690 -8.489 327 2HB ALA 46 HB2 ALA 46 -13.354 8.759 -7.469 328 3HB ALA 46 HB3 ALA 46 -14.142 7.519 -8.452 329 H THR 47 HN THR 47 -12.727 4.568 -7.844 330 HA THR 47 HA THR 47 -15.223 3.373 -7.027 331 HB THR 47 HB THR 47 -14.981 2.786 -9.770 332 HG1 THR 47 HG1 THR 47 -14.690 4.639 -10.718 333 1HG2 THR 47 HG21 THR 47 -17.183 3.118 -9.774 334 2HG2 THR 47 HG22 THR 47 -17.037 4.701 -9.008 335 3HG2 THR 47 HG23 THR 47 -16.986 3.237 -8.024 336 H CYS 48 HN CYS 48 -13.844 2.047 -5.821 337 HA CYS 48 HA CYS 48 -11.679 0.593 -6.443 338 1HB CYS 48 HB2 CYS 48 -13.661 0.451 -4.504 339 2HB CYS 48 HB1 CYS 48 -13.654 -1.158 -5.218 340 HA PRO 49 HA PRO 49 -12.948 -2.131 -9.764 341 1HB PRO 49 HB2 PRO 49 -10.550 -3.115 -10.355 342 2HB PRO 49 HB1 PRO 49 -10.906 -1.404 -10.628 343 1HG PRO 49 HG2 PRO 49 -9.323 -2.687 -8.452 344 2HG PRO 49 HG1 PRO 49 -9.060 -1.139 -9.270 345 1HD PRO 49 HD2 PRO 49 -10.316 -1.525 -6.778 346 2HD PRO 49 HD1 PRO 49 -10.319 -0.034 -7.740 347 H SER 50 HN SER 50 -13.332 -4.344 -10.067 348 HA SER 50 HA SER 50 -13.541 -5.948 -7.766 349 1HB SER 50 HB2 SER 50 -13.574 -6.847 -10.658 350 2HB SER 50 HB1 SER 50 -14.216 -7.740 -9.280 351 HG SER 50 HG SER 50 -15.620 -5.861 -8.962 352 H LYS 51 HN LYS 51 -12.153 -7.282 -6.782 353 HA LYS 51 HA LYS 51 -9.486 -7.572 -7.907 354 1HB LYS 51 HB2 LYS 51 -9.026 -8.693 -5.656 355 2HB LYS 51 HB1 LYS 51 -9.384 -6.975 -5.643 356 1HG LYS 51 HG2 LYS 51 -10.525 -8.044 -3.825 357 2HG LYS 51 HG1 LYS 51 -11.715 -7.503 -5.008 358 1HD LYS 51 HD2 LYS 51 -12.333 -9.615 -5.546 359 2HD LYS 51 HD1 LYS 51 -10.697 -10.251 -5.359 360 1HE LYS 51 HE2 LYS 51 -12.053 -9.340 -2.895 361 2HE LYS 51 HE1 LYS 51 -12.696 -10.796 -3.655 362 1HZ LYS 51 HZ1 LYS 51 -10.171 -11.436 -3.706 363 2HZ LYS 51 HZ2 LYS 51 -11.104 -11.692 -2.318 364 3HZ LYS 51 HZ3 LYS 51 -10.081 -10.348 -2.413 365 H LYS 52 HN LYS 52 -8.421 -9.577 -8.136 366 HA LYS 52 HA LYS 52 -10.066 -11.646 -9.199 367 1HB LYS 52 HB2 LYS 52 -7.217 -11.026 -9.048 368 2HB LYS 52 HB1 LYS 52 -7.544 -12.746 -8.889 369 1HG LYS 52 HG2 LYS 52 -8.670 -12.798 -10.993 370 2HG LYS 52 HG1 LYS 52 -8.607 -11.040 -11.127 371 1HD LYS 52 HD2 LYS 52 -6.240 -12.910 -11.123 372 2HD LYS 52 HD1 LYS 52 -6.904 -12.076 -12.529 373 1HE LYS 52 HE2 LYS 52 -6.437 -9.913 -11.339 374 2HE LYS 52 HE1 LYS 52 -5.573 -10.849 -10.120 375 1HZ LYS 52 HZ1 LYS 52 -3.831 -11.162 -11.477 376 2HZ LYS 52 HZ2 LYS 52 -4.430 -9.811 -12.299 377 3HZ LYS 52 HZ3 LYS 52 -4.786 -11.367 -12.859 378 HA PRO 53 HA PRO 53 -10.587 -14.565 -5.949 379 1HB PRO 53 HB2 PRO 53 -8.737 -16.538 -7.159 380 2HB PRO 53 HB1 PRO 53 -10.454 -16.693 -6.771 381 1HG PRO 53 HG2 PRO 53 -9.636 -16.447 -9.299 382 2HG PRO 53 HG1 PRO 53 -11.127 -15.668 -8.738 383 1HD PRO 53 HD2 PRO 53 -8.427 -14.470 -9.226 384 2HD PRO 53 HD1 PRO 53 -10.036 -13.811 -9.593 385 H TYR 54 HN TYR 54 -7.342 -13.660 -6.730 386 HA TYR 54 HA TYR 54 -6.528 -14.406 -4.007 387 1HB TYR 54 HB2 TYR 54 -4.160 -14.579 -5.076 388 2HB TYR 54 HB1 TYR 54 -5.280 -15.930 -5.213 389 HD1 TYR 54 HD1 TYR 54 -4.646 -16.963 -7.209 390 HD2 TYR 54 HD2 TYR 54 -5.240 -12.759 -7.136 391 HE1 TYR 54 HE1 TYR 54 -4.418 -16.899 -9.658 392 HE2 TYR 54 HE2 TYR 54 -5.013 -12.675 -9.586 393 HH TYR 54 HH TYR 54 -4.087 -13.956 -11.395 394 H GLU 55 HN GLU 55 -7.521 -11.847 -5.264 395 HA GLU 55 HA GLU 55 -5.223 -10.173 -4.482 396 1HB GLU 55 HB2 GLU 55 -7.360 -9.550 -6.527 397 2HB GLU 55 HB1 GLU 55 -6.099 -8.439 -6.012 398 1HG GLU 55 HG2 GLU 55 -4.458 -10.242 -6.793 399 2HG GLU 55 HG1 GLU 55 -5.844 -10.948 -7.624 400 H GLU 56 HN GLU 56 -5.578 -8.608 -2.980 401 HA GLU 56 HA GLU 56 -8.319 -8.420 -1.923 402 1HB GLU 56 HB2 GLU 56 -6.253 -9.305 -0.523 403 2HB GLU 56 HB1 GLU 56 -5.963 -7.586 -0.294 404 1HG GLU 56 HG2 GLU 56 -7.991 -7.275 0.827 405 2HG GLU 56 HG1 GLU 56 -8.632 -8.821 0.274 406 H VAL 57 HN VAL 57 -9.316 -6.606 -2.380 407 HA VAL 57 HA VAL 57 -7.782 -4.096 -2.422 408 HB VAL 57 HB VAL 57 -8.279 -4.711 -4.735 409 1HG1 VAL 57 HG11 VAL 57 -11.206 -4.426 -4.295 410 2HG1 VAL 57 HG12 VAL 57 -10.440 -5.965 -3.903 411 3HG1 VAL 57 HG13 VAL 57 -10.332 -5.319 -5.542 412 1HG2 VAL 57 HG21 VAL 57 -9.621 -2.356 -3.499 413 2HG2 VAL 57 HG22 VAL 57 -9.871 -2.677 -5.214 414 3HG2 VAL 57 HG23 VAL 57 -8.239 -2.422 -4.593 415 H THR 58 HN THR 58 -8.516 -3.875 -0.220 416 HA THR 58 HA THR 58 -11.369 -3.622 0.220 417 HB THR 58 HB THR 58 -9.376 -2.820 2.289 418 HG1 THR 58 HG1 THR 58 -8.367 -4.638 1.815 419 1HG2 THR 58 HG21 THR 58 -12.007 -3.093 2.469 420 2HG2 THR 58 HG22 THR 58 -10.919 -3.462 3.808 421 3HG2 THR 58 HG23 THR 58 -11.544 -4.763 2.794 422 H CYS 59 HN CYS 59 -12.430 -1.814 -0.193 423 HA CYS 59 HA CYS 59 -10.952 0.721 -0.145 424 1HB CYS 59 HB2 CYS 59 -13.213 -0.281 -1.778 425 2HB CYS 59 HB1 CYS 59 -13.230 1.430 -1.358 426 H CYS 60 HN CYS 60 -11.570 2.396 1.047 427 HA CYS 60 HA CYS 60 -13.996 2.235 2.659 428 1HB CYS 60 HB2 CYS 60 -12.635 2.915 4.660 429 2HB CYS 60 HB1 CYS 60 -12.323 1.281 4.077 430 H SER 61 HN SER 61 -14.343 4.417 3.833 431 HA SER 61 HA SER 61 -13.279 6.601 2.159 432 1HB SER 61 HB2 SER 61 -15.668 5.857 1.629 433 2HB SER 61 HB1 SER 61 -16.112 6.569 3.180 434 HG SER 61 HG SER 61 -16.312 8.274 1.918 435 H THR 62 HN THR 62 -12.259 5.923 4.781 436 HA THR 62 HA THR 62 -13.055 8.368 6.211 437 HB THR 62 HB THR 62 -12.562 7.097 8.345 438 HG1 THR 62 HG1 THR 62 -11.914 5.132 8.132 439 1HG2 THR 62 HG21 THR 62 -14.733 5.873 8.368 440 2HG2 THR 62 HG22 THR 62 -14.912 6.283 6.661 441 3HG2 THR 62 HG23 THR 62 -14.839 7.563 7.873 442 H ASP 63 HN ASP 63 -11.423 9.420 7.414 443 HA ASP 63 HA ASP 63 -8.995 9.765 6.311 444 1HB ASP 63 HB2 ASP 63 -9.599 9.932 9.268 445 2HB ASP 63 HB1 ASP 63 -8.249 10.713 8.452 446 H LYS 64 HN LYS 64 -7.079 8.859 6.264 447 HA LYS 64 HA LYS 64 -5.595 7.090 6.252 448 1HB LYS 64 HB2 LYS 64 -5.856 8.270 8.877 449 2HB LYS 64 HB1 LYS 64 -5.331 6.598 9.002 450 1HG LYS 64 HG2 LYS 64 -3.286 7.450 8.731 451 2HG LYS 64 HG1 LYS 64 -3.717 7.510 7.021 452 1HD LYS 64 HD2 LYS 64 -3.401 9.702 7.080 453 2HD LYS 64 HD1 LYS 64 -4.793 9.825 8.154 454 1HE LYS 64 HE2 LYS 64 -3.472 9.849 10.069 455 2HE LYS 64 HE1 LYS 64 -2.080 9.162 9.232 456 1HZ LYS 64 HZ1 LYS 64 -2.693 11.570 7.978 457 2HZ LYS 64 HZ2 LYS 64 -1.338 11.210 8.924 458 3HZ LYS 64 HZ3 LYS 64 -2.719 11.871 9.643 459 H CYS 65 HN CYS 65 -8.142 6.029 5.822 460 HA CYS 65 HA CYS 65 -8.444 3.791 7.637 461 1HB CYS 65 HB2 CYS 65 -10.519 3.361 6.563 462 2HB CYS 65 HB1 CYS 65 -10.389 5.094 6.837 463 H ASN 66 HN ASN 66 -6.390 4.143 5.052 464 HA ASN 66 HA ASN 66 -6.952 1.403 4.119 465 1HB ASN 66 HB2 ASN 66 -5.435 2.047 2.166 466 2HB ASN 66 HB1 ASN 66 -7.043 2.755 2.238 467 1HD2 ASN 66 HD21 ASN 66 -4.266 3.523 1.165 468 2HD2 ASN 66 HD22 ASN 66 -4.104 5.170 1.655 469 HA PRO 67 HA PRO 67 -2.697 0.930 5.981 470 1HB PRO 67 HB2 PRO 67 -3.124 0.020 8.401 471 2HB PRO 67 HB1 PRO 67 -3.473 1.732 8.087 472 1HG PRO 67 HG2 PRO 67 -5.371 -0.592 8.133 473 2HG PRO 67 HG1 PRO 67 -5.518 0.965 8.975 474 1HD PRO 67 HD2 PRO 67 -6.696 0.412 6.539 475 2HD PRO 67 HD1 PRO 67 -6.260 2.044 7.087 476 H HIS 68 HN HIS 68 -1.634 -1.193 6.041 477 HA HIS 68 HA HIS 68 -3.493 -3.334 5.313 478 1HB HIS 68 HB2 HIS 68 -1.587 -4.515 4.275 479 2HB HIS 68 HB1 HIS 68 -1.995 -2.980 3.534 480 HD1 HIS 68 HD1 HIS 68 -0.303 -0.973 4.045 481 HD2 HIS 68 HD2 HIS 68 1.004 -4.796 5.035 482 HE1 HIS 68 HE1 HIS 68 2.197 -0.830 4.110 483 HE2 HIS 68 HE2 HIS 68 2.963 -3.189 4.511 484 HA PRO 69 HA PRO 69 -3.473 -5.791 8.860 485 1HB PRO 69 HB2 PRO 69 -2.533 -8.050 7.263 486 2HB PRO 69 HB1 PRO 69 -4.063 -7.828 8.109 487 1HG PRO 69 HG2 PRO 69 -3.460 -7.425 5.315 488 2HG PRO 69 HG1 PRO 69 -5.029 -7.353 6.131 489 1HD PRO 69 HD2 PRO 69 -3.762 -5.190 5.029 490 2HD PRO 69 HD1 PRO 69 -4.934 -5.081 6.357 491 H LYS 70 HN LYS 70 -0.602 -6.652 6.856 492 HA LYS 70 HA LYS 70 0.741 -7.757 9.068 493 1HB LYS 70 HB2 LYS 70 1.203 -8.222 6.646 494 2HB LYS 70 HB1 LYS 70 2.038 -6.678 6.575 495 1HG LYS 70 HG2 LYS 70 3.467 -8.745 6.907 496 2HG LYS 70 HG1 LYS 70 3.742 -7.396 8.005 497 1HD LYS 70 HD2 LYS 70 3.690 -9.639 9.106 498 2HD LYS 70 HD1 LYS 70 2.538 -8.480 9.761 499 1HE LYS 70 HE2 LYS 70 1.272 -9.903 7.650 500 2HE LYS 70 HE1 LYS 70 2.055 -11.072 8.709 501 1HZ LYS 70 HZ1 LYS 70 0.270 -10.857 9.991 502 2HZ LYS 70 HZ2 LYS 70 -0.273 -9.479 9.176 503 3HZ LYS 70 HZ3 LYS 70 0.857 -9.331 10.426 504 H GLN 71 HN GLN 71 1.042 -4.585 7.554 505 HA GLN 71 HA GLN 71 2.820 -3.794 9.763 506 1HB GLN 71 HB2 GLN 71 2.331 -1.976 7.459 507 2HB GLN 71 HB1 GLN 71 3.792 -2.211 8.413 508 1HG GLN 71 HG2 GLN 71 2.702 -4.240 6.495 509 2HG GLN 71 HG1 GLN 71 3.915 -3.029 6.065 510 1HE2 GLN 71 HE21 GLN 71 5.394 -4.683 5.567 511 2HE2 GLN 71 HE22 GLN 71 6.211 -5.565 6.808 512 H ARG 72 HN ARG 72 -0.307 -3.815 9.212 513 HA ARG 72 HA ARG 72 -1.146 -1.169 9.761 514 1HB ARG 72 HB2 ARG 72 -2.945 -2.294 8.966 515 2HB ARG 72 HB1 ARG 72 -2.399 -3.832 9.612 516 1HG ARG 72 HG2 ARG 72 -3.321 -3.364 11.745 517 2HG ARG 72 HG1 ARG 72 -3.618 -1.678 11.317 518 1HD ARG 72 HD2 ARG 72 -5.713 -2.477 10.967 519 2HD ARG 72 HD1 ARG 72 -5.033 -2.845 9.382 520 HE ARG 72 HE ARG 72 -4.711 -4.973 11.280 521 1HH1 ARG 72 HH11 ARG 72 -6.880 -3.533 8.956 522 2HH1 ARG 72 HH12 ARG 72 -7.757 -5.000 8.678 523 1HH2 ARG 72 HH21 ARG 72 -5.861 -6.904 10.915 524 2HH2 ARG 72 HH22 ARG 72 -7.178 -6.914 9.790 525 HA PRO 73 HA PRO 73 -1.310 -2.412 14.346 526 1HB PRO 73 HB2 PRO 73 -0.868 -4.906 15.154 527 2HB PRO 73 HB1 PRO 73 -2.393 -4.469 14.373 528 1HG PRO 73 HG2 PRO 73 -0.022 -5.889 13.241 529 2HG PRO 73 HG1 PRO 73 -1.746 -6.192 12.968 530 1HD PRO 73 HD2 PRO 73 -0.065 -4.746 11.275 531 2HD PRO 73 HD1 PRO 73 -1.838 -4.691 11.263 532 H GLY 74 HN GLY 74 1.206 -2.160 12.599 533 1HA GLY 74 HA2 GLY 74 3.392 -3.367 13.851 534 2HA GLY 74 HA1 GLY 74 3.452 -1.863 12.944 535 1H GLU 180 HT1 GLU 180 13.832 10.326 2.534 536 2H GLU 180 HT2 GLU 180 14.725 9.230 1.562 537 3H GLU 180 HT3 GLU 180 13.809 10.480 0.827 538 HA GLU 180 HA GLU 180 15.219 12.086 2.030 539 1HB GLU 180 HB2 GLU 180 17.356 11.244 2.864 540 2HB GLU 180 HB1 GLU 180 16.020 10.473 3.709 541 1HG GLU 180 HG2 GLU 180 16.926 9.008 1.351 542 2HG GLU 180 HG1 GLU 180 18.154 9.186 2.604 543 H GLU 181 HN GLU 181 14.526 11.831 -0.479 544 HA GLU 181 HA GLU 181 16.990 12.202 -1.918 545 1HB GLU 181 HB2 GLU 181 15.155 9.900 -2.572 546 2HB GLU 181 HB1 GLU 181 16.291 10.568 -3.736 547 1HG GLU 181 HG2 GLU 181 18.112 10.095 -2.079 548 2HG GLU 181 HG1 GLU 181 16.915 9.221 -1.125 549 H ARG 182 HN ARG 182 16.286 12.434 -4.428 550 HA ARG 182 HA ARG 182 14.054 14.348 -4.382 551 1HB ARG 182 HB2 ARG 182 16.491 14.167 -6.154 552 2HB ARG 182 HB1 ARG 182 15.151 15.261 -6.467 553 1HG ARG 182 HG2 ARG 182 15.789 16.703 -4.874 554 2HG ARG 182 HG1 ARG 182 16.246 15.421 -3.753 555 1HD ARG 182 HD2 ARG 182 18.132 16.873 -4.562 556 2HD ARG 182 HD1 ARG 182 18.356 15.140 -4.797 557 HE ARG 182 HE ARG 182 18.332 15.473 -7.064 558 1HH1 ARG 182 HH11 ARG 182 17.131 18.341 -5.481 559 2HH1 ARG 182 HH12 ARG 182 17.116 19.288 -6.931 560 1HH2 ARG 182 HH21 ARG 182 18.315 16.715 -8.971 561 2HH2 ARG 182 HH22 ARG 182 17.788 18.364 -8.914 562 H GLY 183 HN GLY 183 12.902 12.087 -4.550 563 1HA GLY 183 HA2 GLY 183 12.251 11.754 -7.398 564 2HA GLY 183 HA1 GLY 183 12.636 10.331 -6.442 565 H TRP 184 HN TRP 184 10.563 9.458 -6.834 566 HA TRP 184 HA TRP 184 8.349 10.896 -5.545 567 1HB TRP 184 HB2 TRP 184 7.042 8.934 -6.805 568 2HB TRP 184 HB1 TRP 184 7.459 10.447 -7.590 569 HD1 TRP 184 HD1 TRP 184 8.241 10.025 -9.920 570 HE1 TRP 184 HE1 TRP 184 9.648 8.248 -11.144 571 HE3 TRP 184 HE3 TRP 184 9.216 6.918 -5.986 572 HZ2 TRP 184 HZ2 TRP 184 10.988 5.850 -10.520 573 HZ3 TRP 184 HZ3 TRP 184 10.566 4.903 -6.383 574 HH2 TRP 184 HH2 TRP 184 11.431 4.380 -8.604 575 H LYS 185 HN LYS 185 6.604 8.885 -5.069 576 HA LYS 185 HA LYS 185 7.961 7.398 -2.934 577 1HB LYS 185 HB2 LYS 185 6.351 8.418 -1.697 578 2HB LYS 185 HB1 LYS 185 5.421 8.834 -3.123 579 1HG LYS 185 HG2 LYS 185 4.909 6.171 -2.910 580 2HG LYS 185 HG1 LYS 185 5.103 6.642 -1.234 581 1HD LYS 185 HD2 LYS 185 3.315 7.993 -3.216 582 2HD LYS 185 HD1 LYS 185 2.787 6.833 -1.998 583 1HE LYS 185 HE2 LYS 185 2.331 8.861 -0.980 584 2HE LYS 185 HE1 LYS 185 3.919 8.460 -0.330 585 1HZ LYS 185 HZ1 LYS 185 4.907 10.126 -1.469 586 2HZ LYS 185 HZ2 LYS 185 3.364 10.811 -1.380 587 3HZ LYS 185 HZ3 LYS 185 3.857 10.020 -2.791 588 H HIS 186 HN HIS 186 8.442 5.349 -3.477 589 HA HIS 186 HA HIS 186 6.354 3.764 -4.796 590 1HB HIS 186 HB2 HIS 186 8.270 4.548 -6.357 591 2HB HIS 186 HB1 HIS 186 9.252 3.368 -5.503 592 HD1 HIS 186 HD1 HIS 186 5.903 2.079 -5.749 593 HD2 HIS 186 HD2 HIS 186 9.195 2.272 -8.276 594 HE1 HIS 186 HE1 HIS 186 5.484 0.356 -7.530 595 HE2 HIS 186 HE2 HIS 186 7.519 0.445 -9.012 596 H TRP 187 HN TRP 187 5.966 1.878 -3.812 597 HA TRP 187 HA TRP 187 7.980 0.762 -1.954 598 1HB TRP 187 HB2 TRP 187 5.358 1.857 -1.358 599 2HB TRP 187 HB1 TRP 187 5.517 0.204 -0.803 600 HD1 TRP 187 HD1 TRP 187 6.534 3.718 -0.014 601 HE1 TRP 187 HE1 TRP 187 7.872 3.763 2.176 602 HE3 TRP 187 HE3 TRP 187 7.258 -1.301 0.653 603 HZ2 TRP 187 HZ2 TRP 187 9.044 1.969 3.961 604 HZ3 TRP 187 HZ3 TRP 187 8.503 -2.039 2.610 605 HH2 TRP 187 HH2 TRP 187 9.371 -0.447 4.251 606 H VAL 188 HN VAL 188 6.942 -1.270 -1.020 607 HA VAL 188 HA VAL 188 5.281 -2.889 -2.634 608 HB VAL 188 HB VAL 188 7.986 -4.116 -2.330 609 1HG1 VAL 188 HG11 VAL 188 5.852 -5.300 -3.063 610 2HG1 VAL 188 HG12 VAL 188 7.289 -5.538 -4.058 611 3HG1 VAL 188 HG13 VAL 188 6.028 -4.421 -4.584 612 1HG2 VAL 188 HG21 VAL 188 8.448 -1.962 -3.440 613 2HG2 VAL 188 HG22 VAL 188 7.281 -2.387 -4.693 614 3HG2 VAL 188 HG23 VAL 188 8.745 -3.347 -4.489 615 H TYR 189 HN TYR 189 4.162 -2.983 -0.683 616 HA TYR 189 HA TYR 189 5.564 -4.158 1.607 617 1HB TYR 189 HB2 TYR 189 3.109 -2.508 1.266 618 2HB TYR 189 HB1 TYR 189 3.113 -3.669 2.591 619 HD1 TYR 189 HD1 TYR 189 3.503 -0.367 2.058 620 HD2 TYR 189 HD2 TYR 189 5.718 -3.609 3.702 621 HE1 TYR 189 HE1 TYR 189 4.785 1.210 3.428 622 HE2 TYR 189 HE2 TYR 189 7.002 -2.035 5.085 623 HH TYR 189 HH TYR 189 6.661 1.442 4.722 624 H TYR 190 HN TYR 190 5.448 -6.265 1.936 625 HA TYR 190 HA TYR 190 3.388 -7.750 0.508 626 1HB TYR 190 HB2 TYR 190 5.795 -8.879 1.928 627 2HB TYR 190 HB1 TYR 190 4.738 -9.717 0.807 628 HD1 TYR 190 HD1 TYR 190 5.785 -6.317 -0.071 629 HD2 TYR 190 HD2 TYR 190 6.718 -10.434 -0.422 630 HE1 TYR 190 HE1 TYR 190 7.347 -5.808 -1.873 631 HE2 TYR 190 HE2 TYR 190 8.286 -9.936 -2.237 632 HH TYR 190 HH TYR 190 9.270 -6.750 -2.981 633 H THR 191 HN THR 191 1.592 -8.421 1.592 634 HA THR 191 HA THR 191 1.507 -8.255 4.456 635 HB THR 191 HB THR 191 -0.670 -9.101 4.402 636 HG1 THR 191 HG1 THR 191 -1.384 -10.509 2.988 637 1HG2 THR 191 HG21 THR 191 -0.557 -7.848 1.700 638 2HG2 THR 191 HG22 THR 191 -0.364 -6.906 3.185 639 3HG2 THR 191 HG23 THR 191 -1.860 -7.794 2.887 640 H CYS 192 HN CYS 192 2.138 -9.656 5.885 641 HA CYS 192 HA CYS 192 1.804 -12.340 6.106 642 1HB CYS 192 HB2 CYS 192 2.829 -13.321 4.317 643 2HB CYS 192 HB1 CYS 192 3.673 -11.837 3.887 644 H CYS 193 HN CYS 193 4.510 -10.224 5.790 645 HA CYS 193 HA CYS 193 5.497 -11.090 8.418 646 1HB CYS 193 HB2 CYS 193 7.628 -10.389 6.658 647 2HB CYS 193 HB1 CYS 193 7.253 -11.967 7.348 648 HA PRO 194 HA PRO 194 5.392 -6.785 9.426 649 1HB PRO 194 HB2 PRO 194 7.119 -7.746 11.633 650 2HB PRO 194 HB1 PRO 194 5.603 -6.846 11.709 651 1HG PRO 194 HG2 PRO 194 5.666 -9.403 12.374 652 2HG PRO 194 HG1 PRO 194 4.315 -8.765 11.412 653 1HD PRO 194 HD2 PRO 194 6.728 -10.298 10.502 654 2HD PRO 194 HD1 PRO 194 5.024 -10.514 10.050 655 H ASP 195 HN ASP 195 8.388 -8.685 9.613 656 HA ASP 195 HA ASP 195 9.975 -6.274 9.162 657 1HB ASP 195 HB2 ASP 195 10.982 -9.076 9.662 658 2HB ASP 195 HB1 ASP 195 11.888 -7.573 9.795 659 H THR 196 HN THR 196 8.470 -6.931 6.956 660 HA THR 196 HA THR 196 10.567 -7.777 5.085 661 HB THR 196 HB THR 196 8.836 -9.578 5.470 662 HG1 THR 196 HG1 THR 196 8.976 -10.161 3.403 663 1HG2 THR 196 HG21 THR 196 6.676 -9.212 5.225 664 2HG2 THR 196 HG22 THR 196 6.931 -8.580 3.600 665 3HG2 THR 196 HG23 THR 196 7.019 -7.501 4.992 666 HA PRO 197 HA PRO 197 8.525 -3.802 3.792 667 1HB PRO 197 HB2 PRO 197 10.357 -2.009 4.508 668 2HB PRO 197 HB1 PRO 197 9.228 -2.674 5.696 669 1HG PRO 197 HG2 PRO 197 12.097 -3.350 5.215 670 2HG PRO 197 HG1 PRO 197 11.220 -3.208 6.748 671 1HD PRO 197 HD2 PRO 197 11.780 -5.592 5.420 672 2HD PRO 197 HD1 PRO 197 10.546 -5.375 6.675 673 H TYR 198 HN TYR 198 8.703 -3.895 1.595 674 HA TYR 198 HA TYR 198 11.406 -3.755 0.434 675 1HB TYR 198 HB2 TYR 198 8.883 -4.381 -1.086 676 2HB TYR 198 HB1 TYR 198 10.535 -4.700 -1.567 677 HD1 TYR 198 HD1 TYR 198 8.276 -5.608 1.287 678 HD2 TYR 198 HD2 TYR 198 11.141 -6.886 -1.581 679 HE1 TYR 198 HE1 TYR 198 8.054 -7.911 2.095 680 HE2 TYR 198 HE2 TYR 198 10.924 -9.174 -0.785 681 HH TYR 198 HH TYR 198 8.422 -10.195 1.265 682 H LEU 199 HN LEU 199 11.943 -1.666 0.208 683 HA LEU 199 HA LEU 199 9.892 0.280 -0.539 684 1HB LEU 199 HB2 LEU 199 12.014 0.311 1.251 685 2HB LEU 199 HB1 LEU 199 12.553 1.338 -0.060 686 HG LEU 199 HG LEU 199 10.245 1.707 1.790 687 1HD1 LEU 199 HD11 LEU 199 12.367 3.634 0.913 688 2HD1 LEU 199 HD12 LEU 199 12.542 2.559 2.301 689 3HD1 LEU 199 HD13 LEU 199 11.266 3.776 2.283 690 1HD2 LEU 199 HD21 LEU 199 9.341 2.057 -0.451 691 2HD2 LEU 199 HD22 LEU 199 10.662 3.169 -0.809 692 3HD2 LEU 199 HD23 LEU 199 9.474 3.578 0.429 693 H ASP 200 HN ASP 200 10.215 1.819 -2.203 694 HA ASP 200 HA ASP 200 12.295 1.190 -4.161 695 1HB ASP 200 HB2 ASP 200 10.212 0.050 -4.856 696 2HB ASP 200 HB1 ASP 200 9.386 1.603 -4.872 697 H ILE 201 HN ILE 201 13.395 2.907 -4.670 698 HA ILE 201 HA ILE 201 12.162 5.567 -4.412 699 HB ILE 201 HB ILE 201 14.217 4.757 -2.951 700 1HG1 ILE 201 HG12 ILE 201 14.983 7.391 -3.641 701 2HG1 ILE 201 HG11 ILE 201 13.236 7.295 -3.858 702 1HG2 ILE 201 HG21 ILE 201 16.306 4.886 -3.820 703 2HG2 ILE 201 HG22 ILE 201 15.853 6.077 -5.038 704 3HG2 ILE 201 HG23 ILE 201 15.440 4.378 -5.269 705 1HD1 ILE 201 HD11 ILE 201 14.850 7.186 -1.408 706 2HD1 ILE 201 HD12 ILE 201 13.483 6.073 -1.480 707 3HD1 ILE 201 HD13 ILE 201 13.221 7.807 -1.676 708 H THR 202 HN THR 202 14.150 7.028 -5.754 709 HA THR 202 HA THR 202 13.371 6.627 -8.453 710 HB THR 202 HB THR 202 15.742 8.299 -8.041 711 HG1 THR 202 HG1 THR 202 15.064 8.920 -6.129 712 1HG2 THR 202 HG21 THR 202 13.714 9.961 -8.752 713 2HG2 THR 202 HG22 THR 202 13.189 8.428 -9.449 714 3HG2 THR 202 HG23 THR 202 14.764 9.098 -9.876 715 H GLU 203 HN GLU 203 16.682 6.698 -7.116 716 HA GLU 203 HA GLU 203 17.407 4.642 -9.100 717 1HB GLU 203 HB2 GLU 203 19.004 6.941 -7.981 718 2HB GLU 203 HB1 GLU 203 19.757 5.594 -8.825 719 1HG GLU 203 HG2 GLU 203 19.104 6.324 -10.837 720 2HG GLU 203 HG1 GLU 203 17.516 6.824 -10.255 721 H GLU 204 HN GLU 204 19.162 5.870 -6.273 722 HA GLU 204 HA GLU 204 18.876 3.268 -4.964 723 1HB GLU 204 HB2 GLU 204 21.302 3.162 -4.521 724 2HB GLU 204 HB1 GLU 204 20.932 3.068 -6.238 725 1HG GLU 204 HG2 GLU 204 22.341 4.728 -6.602 726 2HG GLU 204 HG1 GLU 204 21.301 5.792 -5.656 Start of MODEL 3 1 1H ILE 1 HT1 ILE 1 -10.451 14.721 2.792 2 2H ILE 1 HT2 ILE 1 -12.052 14.453 3.351 3 3H ILE 1 HT3 ILE 1 -11.476 13.626 1.962 4 HA ILE 1 HA ILE 1 -10.911 13.189 4.780 5 HB ILE 1 HB ILE 1 -11.241 10.899 4.238 6 1HG1 ILE 1 HG12 ILE 1 -11.956 10.516 1.681 7 2HG1 ILE 1 HG11 ILE 1 -10.812 11.836 1.448 8 1HG2 ILE 1 HG21 ILE 1 -13.217 12.582 4.289 9 2HG2 ILE 1 HG22 ILE 1 -13.501 10.920 3.772 10 3HG2 ILE 1 HG23 ILE 1 -13.349 12.203 2.571 11 1HD1 ILE 1 HD11 ILE 1 -9.951 9.437 1.285 12 2HD1 ILE 1 HD12 ILE 1 -10.083 9.414 3.044 13 3HD1 ILE 1 HD13 ILE 1 -9.028 10.585 2.254 14 H VAL 2 HN VAL 2 -9.219 11.642 5.259 15 HA VAL 2 HA VAL 2 -6.742 12.367 3.872 16 HB VAL 2 HB VAL 2 -7.179 10.986 6.535 17 1HG1 VAL 2 HG11 VAL 2 -4.764 11.630 6.892 18 2HG1 VAL 2 HG12 VAL 2 -4.688 12.001 5.170 19 3HG1 VAL 2 HG13 VAL 2 -5.040 10.357 5.703 20 1HG2 VAL 2 HG21 VAL 2 -6.846 13.035 7.608 21 2HG2 VAL 2 HG22 VAL 2 -7.915 13.432 6.262 22 3HG2 VAL 2 HG23 VAL 2 -6.194 13.798 6.158 23 H CYS 3 HN CYS 3 -5.102 10.573 3.600 24 HA CYS 3 HA CYS 3 -6.156 7.887 3.573 25 1HB CYS 3 HB2 CYS 3 -6.837 9.224 1.398 26 2HB CYS 3 HB1 CYS 3 -5.192 8.833 0.910 27 H HIS 4 HN HIS 4 -4.620 6.353 3.671 28 HA HIS 4 HA HIS 4 -1.863 7.187 4.003 29 1HB HIS 4 HB2 HIS 4 -3.297 4.545 4.276 30 2HB HIS 4 HB1 HIS 4 -1.548 4.669 4.385 31 HD1 HIS 4 HD1 HIS 4 -3.868 3.980 6.638 32 HD2 HIS 4 HD2 HIS 4 -1.444 7.342 6.344 33 HE1 HIS 4 HE1 HIS 4 -3.711 4.904 8.972 34 HE2 HIS 4 HE2 HIS 4 -2.173 6.891 8.784 35 H THR 5 HN THR 5 -0.217 5.558 3.031 36 HA THR 5 HA THR 5 -0.740 4.395 0.525 37 HB THR 5 HB THR 5 -0.922 6.482 -0.494 38 HG1 THR 5 HG1 THR 5 1.864 6.001 -0.650 39 1HG2 THR 5 HG21 THR 5 1.198 7.380 1.395 40 2HG2 THR 5 HG22 THR 5 -0.398 8.069 1.096 41 3HG2 THR 5 HG23 THR 5 0.884 8.259 -0.100 42 H THR 6 HN THR 6 1.046 3.328 -0.324 43 HA THR 6 HA THR 6 3.383 3.222 1.449 44 HB THR 6 HB THR 6 2.545 1.136 1.690 45 HG1 THR 6 HG1 THR 6 3.852 0.710 -0.774 46 1HG2 THR 6 HG21 THR 6 0.644 1.486 0.223 47 2HG2 THR 6 HG22 THR 6 1.342 -0.126 0.062 48 3HG2 THR 6 HG23 THR 6 1.666 1.108 -1.159 49 H ALA 7 HN ALA 7 4.631 4.739 0.312 50 HA ALA 7 HA ALA 7 5.689 3.675 -2.167 51 1HB ALA 7 HB1 ALA 7 4.497 6.434 -2.055 52 2HB ALA 7 HB2 ALA 7 3.819 5.035 -2.884 53 3HB ALA 7 HB3 ALA 7 5.345 5.724 -3.429 54 H THR 8 HN THR 8 5.962 6.556 -0.001 55 HA THR 8 HA THR 8 8.665 7.042 -0.776 56 HB THR 8 HB THR 8 7.733 8.967 0.039 57 HG1 THR 8 HG1 THR 8 9.052 9.526 1.560 58 1HG2 THR 8 HG21 THR 8 6.443 7.293 2.144 59 2HG2 THR 8 HG22 THR 8 5.704 8.379 0.968 60 3HG2 THR 8 HG23 THR 8 6.599 9.039 2.337 61 H SER 9 HN SER 9 9.691 7.486 2.039 62 HA SER 9 HA SER 9 11.058 5.007 2.244 63 1HB SER 9 HB2 SER 9 11.050 7.566 3.782 64 2HB SER 9 HB1 SER 9 11.665 6.130 4.601 65 HG SER 9 HG SER 9 12.987 7.645 2.980 66 HA PRO 10 HA PRO 10 7.921 4.062 5.647 67 1HB PRO 10 HB2 PRO 10 6.767 6.007 7.022 68 2HB PRO 10 HB1 PRO 10 8.518 5.787 7.156 69 1HG PRO 10 HG2 PRO 10 6.996 7.912 5.791 70 2HG PRO 10 HG1 PRO 10 8.664 7.935 6.390 71 1HD PRO 10 HD2 PRO 10 7.680 7.353 3.700 72 2HD PRO 10 HD1 PRO 10 9.350 7.627 4.236 73 H ILE 11 HN ILE 11 5.381 4.465 6.268 74 HA ILE 11 HA ILE 11 4.006 4.537 3.713 75 HB ILE 11 HB ILE 11 2.445 4.396 6.251 76 1HG1 ILE 11 HG12 ILE 11 3.011 1.772 5.930 77 2HG1 ILE 11 HG11 ILE 11 4.562 2.477 5.480 78 1HG2 ILE 11 HG21 ILE 11 1.315 2.566 4.879 79 2HG2 ILE 11 HG22 ILE 11 2.302 3.133 3.532 80 3HG2 ILE 11 HG23 ILE 11 1.152 4.226 4.304 81 1HD1 ILE 11 HD11 ILE 11 4.920 2.258 7.696 82 2HD1 ILE 11 HD12 ILE 11 3.208 2.379 8.100 83 3HD1 ILE 11 HD13 ILE 11 4.131 3.834 7.729 84 H SER 12 HN SER 12 3.214 6.407 2.856 85 HA SER 12 HA SER 12 3.037 8.723 4.634 86 1HB SER 12 HB2 SER 12 3.516 10.057 2.808 87 2HB SER 12 HB1 SER 12 4.305 8.566 2.297 88 HG SER 12 HG SER 12 3.028 9.354 0.633 89 H ALA 13 HN ALA 13 1.275 10.369 3.863 90 HA ALA 13 HA ALA 13 -1.177 9.089 3.016 91 1HB ALA 13 HB1 ALA 13 -0.673 9.058 5.687 92 2HB ALA 13 HB2 ALA 13 -2.281 9.018 4.965 93 3HB ALA 13 HB3 ALA 13 -1.602 10.548 5.519 94 H VAL 14 HN VAL 14 -2.543 10.453 2.018 95 HA VAL 14 HA VAL 14 -2.218 13.338 2.386 96 HB VAL 14 HB VAL 14 -2.357 13.677 -0.086 97 1HG1 VAL 14 HG11 VAL 14 -0.050 12.573 1.371 98 2HG1 VAL 14 HG12 VAL 14 -0.215 14.084 0.477 99 3HG1 VAL 14 HG13 VAL 14 0.091 12.578 -0.387 100 1HG2 VAL 14 HG21 VAL 14 -3.256 11.383 -0.552 101 2HG2 VAL 14 HG22 VAL 14 -1.630 10.760 -0.279 102 3HG2 VAL 14 HG23 VAL 14 -1.931 11.886 -1.602 103 H THR 15 HN THR 15 -4.035 14.585 1.595 104 HA THR 15 HA THR 15 -6.531 13.124 1.898 105 HB THR 15 HB THR 15 -5.858 16.064 1.792 106 HG1 THR 15 HG1 THR 15 -5.429 15.113 3.758 107 1HG2 THR 15 HG21 THR 15 -7.945 16.593 1.310 108 2HG2 THR 15 HG22 THR 15 -8.469 15.741 2.762 109 3HG2 THR 15 HG23 THR 15 -8.392 14.890 1.219 110 H CYS 16 HN CYS 16 -8.042 12.838 0.331 111 HA CYS 16 HA CYS 16 -7.204 13.384 -2.412 112 1HB CYS 16 HB2 CYS 16 -9.674 11.854 -1.657 113 2HB CYS 16 HB1 CYS 16 -8.678 11.699 -3.098 114 HA PRO 17 HA PRO 17 -10.212 16.899 -1.734 115 1HB PRO 17 HB2 PRO 17 -9.016 18.424 -3.734 116 2HB PRO 17 HB1 PRO 17 -8.728 18.573 -2.000 117 1HG PRO 17 HG2 PRO 17 -7.105 17.213 -4.080 118 2HG PRO 17 HG1 PRO 17 -6.584 18.048 -2.610 119 1HD PRO 17 HD2 PRO 17 -6.623 15.348 -2.816 120 2HD PRO 17 HD1 PRO 17 -6.909 16.204 -1.287 121 HA PRO 18 HA PRO 18 -11.113 16.341 -6.541 122 1HB PRO 18 HB2 PRO 18 -10.211 13.539 -6.839 123 2HB PRO 18 HB1 PRO 18 -10.044 14.899 -7.952 124 1HG PRO 18 HG2 PRO 18 -7.941 13.969 -6.604 125 2HG PRO 18 HG1 PRO 18 -8.151 15.707 -6.889 126 1HD PRO 18 HD2 PRO 18 -8.691 14.114 -4.412 127 2HD PRO 18 HD1 PRO 18 -7.942 15.709 -4.584 128 H GLY 19 HN GLY 19 -12.331 14.138 -7.635 129 1HA GLY 19 HA2 GLY 19 -14.664 13.909 -6.025 130 2HA GLY 19 HA1 GLY 19 -14.363 13.069 -7.538 131 H GLU 20 HN GLU 20 -11.868 11.867 -6.516 132 HA GLU 20 HA GLU 20 -13.104 9.611 -5.188 133 1HB GLU 20 HB2 GLU 20 -11.138 8.399 -5.697 134 2HB GLU 20 HB1 GLU 20 -11.439 9.416 -7.095 135 1HG GLU 20 HG2 GLU 20 -9.550 10.274 -4.936 136 2HG GLU 20 HG1 GLU 20 -9.041 9.193 -6.231 137 H ASN 21 HN ASN 21 -12.796 8.991 -3.106 138 HA ASN 21 HA ASN 21 -10.760 10.288 -1.479 139 1HB ASN 21 HB2 ASN 21 -13.507 10.343 -0.321 140 2HB ASN 21 HB1 ASN 21 -12.147 11.422 -0.035 141 1HD2 ASN 21 HD21 ASN 21 -14.401 10.460 -2.561 142 2HD2 ASN 21 HD22 ASN 21 -14.601 12.039 -3.239 143 H LEU 22 HN LEU 22 -11.806 7.545 -2.455 144 HA LEU 22 HA LEU 22 -12.260 6.260 0.110 145 1HB LEU 22 HB2 LEU 22 -13.016 5.751 -2.619 146 2HB LEU 22 HB1 LEU 22 -12.223 4.340 -1.942 147 HG LEU 22 HG LEU 22 -13.831 4.566 0.013 148 1HD1 LEU 22 HD11 LEU 22 -14.726 6.700 -0.167 149 2HD1 LEU 22 HD12 LEU 22 -16.022 5.664 -0.766 150 3HD1 LEU 22 HD13 LEU 22 -15.000 6.544 -1.903 151 1HD2 LEU 22 HD21 LEU 22 -14.481 2.754 -1.136 152 2HD2 LEU 22 HD22 LEU 22 -14.300 3.559 -2.696 153 3HD2 LEU 22 HD23 LEU 22 -15.769 3.794 -1.746 154 H CYS 23 HN CYS 23 -10.777 5.022 1.112 155 HA CYS 23 HA CYS 23 -8.142 4.767 -0.123 156 1HB CYS 23 HB2 CYS 23 -9.043 4.302 2.714 157 2HB CYS 23 HB1 CYS 23 -7.395 4.126 2.146 158 H TYR 24 HN TYR 24 -7.601 2.903 -1.081 159 HA TYR 24 HA TYR 24 -9.148 0.528 -0.337 160 1HB TYR 24 HB2 TYR 24 -8.599 -0.397 -2.500 161 2HB TYR 24 HB1 TYR 24 -9.282 1.212 -2.701 162 HD1 TYR 24 HD1 TYR 24 -7.917 3.060 -3.435 163 HD2 TYR 24 HD2 TYR 24 -6.249 -0.846 -3.045 164 HE1 TYR 24 HE1 TYR 24 -5.974 3.749 -4.765 165 HE2 TYR 24 HE2 TYR 24 -4.323 -0.161 -4.360 166 HH TYR 24 HH TYR 24 -4.232 2.636 -6.207 167 H ARG 25 HN ARG 25 -8.231 -1.413 -0.031 168 HA ARG 25 HA ARG 25 -5.410 -1.454 0.764 169 1HB ARG 25 HB2 ARG 25 -7.760 -3.173 1.612 170 2HB ARG 25 HB1 ARG 25 -6.103 -3.461 2.116 171 1HG ARG 25 HG2 ARG 25 -7.435 -0.835 2.656 172 2HG ARG 25 HG1 ARG 25 -7.691 -2.223 3.714 173 1HD ARG 25 HD2 ARG 25 -5.750 -0.484 4.151 174 2HD ARG 25 HD1 ARG 25 -5.542 -2.201 4.489 175 HE ARG 25 HE ARG 25 -4.393 -0.702 2.270 176 1HH1 ARG 25 HH11 ARG 25 -4.743 -3.739 3.957 177 2HH1 ARG 25 HH12 ARG 25 -3.498 -4.524 3.051 178 1HH2 ARG 25 HH21 ARG 25 -2.785 -1.756 1.050 179 2HH2 ARG 25 HH22 ARG 25 -2.406 -3.406 1.389 180 H LYS 26 HN LYS 26 -4.662 -1.864 -1.368 181 HA LYS 26 HA LYS 26 -5.703 -4.160 -2.799 182 1HB LYS 26 HB2 LYS 26 -4.092 -1.826 -3.398 183 2HB LYS 26 HB1 LYS 26 -3.421 -3.283 -4.114 184 1HG LYS 26 HG2 LYS 26 -6.242 -3.252 -4.542 185 2HG LYS 26 HG1 LYS 26 -5.558 -1.707 -5.047 186 1HD LYS 26 HD2 LYS 26 -4.698 -4.451 -5.944 187 2HD LYS 26 HD1 LYS 26 -5.532 -3.233 -6.912 188 1HE LYS 26 HE2 LYS 26 -3.481 -1.755 -6.294 189 2HE LYS 26 HE1 LYS 26 -2.714 -3.303 -5.953 190 1HZ LYS 26 HZ1 LYS 26 -4.088 -2.878 -8.522 191 2HZ LYS 26 HZ2 LYS 26 -2.829 -3.945 -8.150 192 3HZ LYS 26 HZ3 LYS 26 -2.517 -2.289 -8.301 193 H MET 27 HN MET 27 -4.821 -6.137 -2.999 194 HA MET 27 HA MET 27 -2.068 -6.561 -2.299 195 1HB MET 27 HB2 MET 27 -4.154 -8.022 -0.678 196 2HB MET 27 HB1 MET 27 -2.411 -8.079 -0.470 197 1HG MET 27 HG2 MET 27 -2.431 -5.723 0.214 198 2HG MET 27 HG1 MET 27 -4.185 -5.704 0.041 199 1HE MET 27 HE1 MET 27 -5.484 -6.857 3.285 200 2HE MET 27 HE2 MET 27 -5.849 -6.966 1.563 201 3HE MET 27 HE3 MET 27 -5.332 -5.430 2.259 202 H TRP 28 HN TRP 28 -1.222 -8.308 -3.228 203 HA TRP 28 HA TRP 28 -2.963 -10.402 -4.262 204 1HB TRP 28 HB2 TRP 28 -2.073 -10.351 -6.507 205 2HB TRP 28 HB1 TRP 28 -2.827 -8.814 -6.120 206 HD1 TRP 28 HD1 TRP 28 0.576 -10.392 -6.783 207 HE1 TRP 28 HE1 TRP 28 2.241 -8.508 -7.385 208 HE3 TRP 28 HE3 TRP 28 -2.376 -6.396 -5.746 209 HZ2 TRP 28 HZ2 TRP 28 2.269 -5.666 -7.397 210 HZ3 TRP 28 HZ3 TRP 28 -1.475 -4.133 -6.061 211 HH2 TRP 28 HH2 TRP 28 0.787 -3.766 -6.852 212 H CYS 29 HN CYS 29 -0.890 -11.665 -5.848 213 HA CYS 29 HA CYS 29 0.664 -12.641 -3.579 214 1HB CYS 29 HB2 CYS 29 0.389 -14.709 -4.379 215 2HB CYS 29 HB1 CYS 29 -0.783 -14.006 -5.481 216 H ASP 30 HN ASP 30 2.619 -12.024 -3.274 217 HA ASP 30 HA ASP 30 4.430 -11.753 -5.540 218 1HB ASP 30 HB2 ASP 30 3.821 -9.488 -5.247 219 2HB ASP 30 HB1 ASP 30 3.916 -9.600 -3.493 220 H ALA 31 HN ALA 31 5.214 -13.707 -4.826 221 HA ALA 31 HA ALA 31 7.070 -14.747 -3.950 222 1HB ALA 31 HB1 ALA 31 7.276 -13.320 -1.448 223 2HB ALA 31 HB2 ALA 31 7.471 -12.285 -2.859 224 3HB ALA 31 HB3 ALA 31 8.504 -13.692 -2.648 225 H PHE 32 HN PHE 32 4.196 -13.951 -2.017 226 HA PHE 32 HA PHE 32 4.652 -16.056 -0.137 227 1HB PHE 32 HB2 PHE 32 2.816 -14.105 -0.167 228 2HB PHE 32 HB1 PHE 32 1.849 -15.382 -0.878 229 HD1 PHE 32 HD1 PHE 32 0.325 -15.896 0.820 230 HD2 PHE 32 HD2 PHE 32 4.481 -15.674 1.709 231 HE1 PHE 32 HE1 PHE 32 -0.112 -16.810 3.062 232 HE2 PHE 32 HE2 PHE 32 4.052 -16.590 3.956 233 HZ PHE 32 HZ PHE 32 1.752 -17.159 4.632 234 H CYS 33 HN CYS 33 3.314 -15.724 -3.295 235 HA CYS 33 HA CYS 33 2.405 -18.442 -3.477 236 1HB CYS 33 HB2 CYS 33 2.309 -17.809 -5.992 237 2HB CYS 33 HB1 CYS 33 1.203 -16.982 -4.901 238 H SER 34 HN SER 34 5.190 -16.502 -4.161 239 HA SER 34 HA SER 34 6.661 -18.706 -5.358 240 1HB SER 34 HB2 SER 34 6.773 -15.875 -5.576 241 2HB SER 34 HB1 SER 34 8.309 -16.410 -4.894 242 HG SER 34 HG SER 34 7.588 -16.499 -7.401 243 H SER 35 HN SER 35 7.761 -16.284 -2.980 244 HA SER 35 HA SER 35 8.496 -18.440 -1.144 245 1HB SER 35 HB2 SER 35 10.769 -17.255 -0.868 246 2HB SER 35 HB1 SER 35 10.517 -18.274 -2.285 247 HG SER 35 HG SER 35 10.309 -16.498 -3.541 248 H ARG 36 HN ARG 36 8.644 -14.844 -1.438 249 HA ARG 36 HA ARG 36 8.785 -14.520 1.383 250 1HB ARG 36 HB2 ARG 36 8.050 -12.210 -0.366 251 2HB ARG 36 HB1 ARG 36 9.029 -12.250 1.084 252 1HG ARG 36 HG2 ARG 36 10.655 -13.654 -0.389 253 2HG ARG 36 HG1 ARG 36 9.771 -12.903 -1.720 254 1HD ARG 36 HD2 ARG 36 10.174 -10.698 -0.471 255 2HD ARG 36 HD1 ARG 36 11.407 -11.594 0.419 256 HE ARG 36 HE ARG 36 11.718 -11.917 -2.389 257 1HH1 ARG 36 HH11 ARG 36 12.280 -9.667 0.219 258 2HH1 ARG 36 HH12 ARG 36 13.606 -8.886 -0.574 259 1HH2 ARG 36 HH21 ARG 36 13.461 -10.892 -3.434 260 2HH2 ARG 36 HH22 ARG 36 14.276 -9.581 -2.649 261 H GLY 37 HN GLY 37 6.331 -12.519 -0.318 262 1HA GLY 37 HA2 GLY 37 4.232 -13.855 1.189 263 2HA GLY 37 HA1 GLY 37 4.634 -12.240 1.726 264 H LYS 38 HN LYS 38 2.407 -11.738 1.270 265 HA LYS 38 HA LYS 38 1.669 -11.669 -1.553 266 1HB LYS 38 HB2 LYS 38 0.239 -11.773 0.975 267 2HB LYS 38 HB1 LYS 38 -0.398 -10.518 -0.077 268 1HG LYS 38 HG2 LYS 38 -1.616 -12.131 -1.003 269 2HG LYS 38 HG1 LYS 38 -0.119 -12.657 -1.777 270 1HD LYS 38 HD2 LYS 38 -0.865 -14.606 -0.779 271 2HD LYS 38 HD1 LYS 38 0.256 -13.974 0.428 272 1HE LYS 38 HE2 LYS 38 -2.479 -12.989 0.732 273 2HE LYS 38 HE1 LYS 38 -2.335 -14.739 0.896 274 1HZ LYS 38 HZ1 LYS 38 -0.369 -13.127 2.316 275 2HZ LYS 38 HZ2 LYS 38 -1.141 -14.555 2.788 276 3HZ LYS 38 HZ3 LYS 38 -1.953 -13.077 2.910 277 H VAL 39 HN VAL 39 1.004 -9.749 -2.583 278 HA VAL 39 HA VAL 39 2.605 -7.476 -1.990 279 HB VAL 39 HB VAL 39 0.572 -8.188 -4.027 280 1HG1 VAL 39 HG11 VAL 39 1.075 -5.414 -3.100 281 2HG1 VAL 39 HG12 VAL 39 -0.368 -6.125 -3.820 282 3HG1 VAL 39 HG13 VAL 39 1.003 -5.691 -4.825 283 1HG2 VAL 39 HG21 VAL 39 3.411 -7.723 -3.864 284 2HG2 VAL 39 HG22 VAL 39 2.686 -6.746 -5.141 285 3HG2 VAL 39 HG23 VAL 39 2.467 -8.493 -5.136 286 H VAL 40 HN VAL 40 2.082 -5.499 -1.217 287 HA VAL 40 HA VAL 40 -0.640 -5.033 -0.247 288 HB VAL 40 HB VAL 40 1.593 -4.105 1.495 289 1HG1 VAL 40 HG11 VAL 40 -0.528 -3.283 2.078 290 2HG1 VAL 40 HG12 VAL 40 -0.203 -4.584 3.224 291 3HG1 VAL 40 HG13 VAL 40 -1.286 -4.862 1.863 292 1HG2 VAL 40 HG21 VAL 40 2.309 -6.161 1.960 293 2HG2 VAL 40 HG22 VAL 40 1.024 -6.903 1.020 294 3HG2 VAL 40 HG23 VAL 40 0.744 -6.449 2.698 295 H GLU 41 HN GLU 41 -1.327 -3.300 -1.224 296 HA GLU 41 HA GLU 41 0.457 -0.985 -1.611 297 1HB GLU 41 HB2 GLU 41 -1.964 -1.075 -3.271 298 2HB GLU 41 HB1 GLU 41 -0.324 -0.617 -3.694 299 1HG GLU 41 HG2 GLU 41 -0.802 -3.486 -3.238 300 2HG GLU 41 HG1 GLU 41 -1.570 -2.762 -4.649 301 H LEU 42 HN LEU 42 -0.516 1.093 -1.337 302 HA LEU 42 HA LEU 42 -3.131 1.137 0.012 303 1HB LEU 42 HB2 LEU 42 -0.741 2.791 0.821 304 2HB LEU 42 HB1 LEU 42 -2.313 2.797 1.591 305 HG LEU 42 HG LEU 42 -0.327 0.536 1.586 306 1HD1 LEU 42 HD11 LEU 42 -0.172 2.748 3.072 307 2HD1 LEU 42 HD12 LEU 42 0.303 1.157 3.669 308 3HD1 LEU 42 HD13 LEU 42 -1.284 1.813 4.071 309 1HD2 LEU 42 HD21 LEU 42 -1.839 -0.811 2.632 310 2HD2 LEU 42 HD22 LEU 42 -2.931 0.108 1.596 311 3HD2 LEU 42 HD23 LEU 42 -2.752 0.543 3.295 312 H GLY 43 HN GLY 43 -4.484 2.377 -1.207 313 1HA GLY 43 HA2 GLY 43 -3.389 4.886 -2.264 314 2HA GLY 43 HA1 GLY 43 -4.042 3.751 -3.427 315 H CYS 44 HN CYS 44 -5.131 6.057 -3.602 316 HA CYS 44 HA CYS 44 -7.645 5.973 -2.076 317 1HB CYS 44 HB2 CYS 44 -6.253 8.000 -1.704 318 2HB CYS 44 HB1 CYS 44 -6.356 8.356 -3.423 319 H ALA 45 HN ALA 45 -9.113 4.955 -3.320 320 HA ALA 45 HA ALA 45 -9.148 5.463 -6.205 321 1HB ALA 45 HB1 ALA 45 -10.711 3.519 -6.273 322 2HB ALA 45 HB2 ALA 45 -10.456 3.324 -4.538 323 3HB ALA 45 HB3 ALA 45 -9.103 3.140 -5.653 324 H ALA 46 HN ALA 46 -11.501 5.303 -7.112 325 HA ALA 46 HA ALA 46 -13.218 7.110 -5.541 326 1HB ALA 46 HB1 ALA 46 -11.986 7.694 -7.947 327 2HB ALA 46 HB2 ALA 46 -13.351 8.553 -7.237 328 3HB ALA 46 HB3 ALA 46 -13.633 7.268 -8.411 329 H THR 47 HN THR 47 -12.968 4.314 -7.600 330 HA THR 47 HA THR 47 -15.567 3.410 -6.755 331 HB THR 47 HB THR 47 -16.085 4.817 -8.733 332 HG1 THR 47 HG1 THR 47 -17.376 2.989 -8.326 333 1HG2 THR 47 HG21 THR 47 -14.690 4.822 -10.448 334 2HG2 THR 47 HG22 THR 47 -15.305 3.220 -10.859 335 3HG2 THR 47 HG23 THR 47 -13.862 3.381 -9.854 336 H CYS 48 HN CYS 48 -13.508 2.188 -5.937 337 HA CYS 48 HA CYS 48 -11.947 0.459 -7.279 338 1HB CYS 48 HB2 CYS 48 -12.096 -1.065 -5.329 339 2HB CYS 48 HB1 CYS 48 -11.900 0.623 -4.867 340 HA PRO 49 HA PRO 49 -15.191 -1.793 -9.584 341 1HB PRO 49 HB2 PRO 49 -12.817 -2.760 -11.048 342 2HB PRO 49 HB1 PRO 49 -14.277 -1.980 -11.664 343 1HG PRO 49 HG2 PRO 49 -11.937 -0.686 -11.589 344 2HG PRO 49 HG1 PRO 49 -13.467 0.149 -11.267 345 1HD PRO 49 HD2 PRO 49 -11.397 -0.827 -9.335 346 2HD PRO 49 HD1 PRO 49 -12.322 0.690 -9.325 347 H SER 50 HN SER 50 -14.620 -4.226 -10.673 348 HA SER 50 HA SER 50 -14.820 -5.972 -8.496 349 1HB SER 50 HB2 SER 50 -14.017 -6.663 -11.331 350 2HB SER 50 HB1 SER 50 -14.677 -7.774 -10.132 351 HG SER 50 HG SER 50 -16.565 -6.372 -10.122 352 H LYS 51 HN LYS 51 -13.279 -6.388 -7.072 353 HA LYS 51 HA LYS 51 -10.477 -6.305 -7.845 354 1HB LYS 51 HB2 LYS 51 -10.013 -6.436 -5.464 355 2HB LYS 51 HB1 LYS 51 -11.211 -5.189 -5.781 356 1HG LYS 51 HG2 LYS 51 -12.222 -7.889 -5.116 357 2HG LYS 51 HG1 LYS 51 -11.464 -6.964 -3.820 358 1HD LYS 51 HD2 LYS 51 -13.253 -5.650 -3.617 359 2HD LYS 51 HD1 LYS 51 -13.272 -5.311 -5.349 360 1HE LYS 51 HE2 LYS 51 -15.241 -6.401 -5.281 361 2HE LYS 51 HE1 LYS 51 -14.219 -7.838 -5.337 362 1HZ LYS 51 HZ1 LYS 51 -15.809 -6.782 -3.155 363 2HZ LYS 51 HZ2 LYS 51 -14.281 -7.357 -2.716 364 3HZ LYS 51 HZ3 LYS 51 -15.373 -8.378 -3.505 365 H LYS 52 HN LYS 52 -12.559 -8.586 -8.395 366 HA LYS 52 HA LYS 52 -11.224 -10.801 -7.083 367 1HB LYS 52 HB2 LYS 52 -13.822 -10.355 -7.920 368 2HB LYS 52 HB1 LYS 52 -13.206 -11.551 -9.052 369 1HG LYS 52 HG2 LYS 52 -12.648 -12.020 -6.189 370 2HG LYS 52 HG1 LYS 52 -14.322 -12.197 -6.720 371 1HD LYS 52 HD2 LYS 52 -13.711 -14.289 -7.263 372 2HD LYS 52 HD1 LYS 52 -12.974 -13.533 -8.679 373 1HE LYS 52 HE2 LYS 52 -11.334 -14.954 -7.698 374 2HE LYS 52 HE1 LYS 52 -10.870 -13.291 -7.342 375 1HZ LYS 52 HZ1 LYS 52 -10.627 -14.213 -5.296 376 2HZ LYS 52 HZ2 LYS 52 -11.827 -15.380 -5.535 377 3HZ LYS 52 HZ3 LYS 52 -12.259 -13.784 -5.181 378 HA PRO 53 HA PRO 53 -10.215 -10.991 -12.032 379 1HB PRO 53 HB2 PRO 53 -8.076 -9.037 -11.254 380 2HB PRO 53 HB1 PRO 53 -8.815 -9.320 -12.837 381 1HG PRO 53 HG2 PRO 53 -9.585 -7.252 -11.371 382 2HG PRO 53 HG1 PRO 53 -10.780 -8.211 -12.263 383 1HD PRO 53 HD2 PRO 53 -10.198 -8.144 -9.352 384 2HD PRO 53 HD1 PRO 53 -11.733 -8.449 -10.186 385 H TYR 54 HN TYR 54 -8.455 -10.759 -9.020 386 HA TYR 54 HA TYR 54 -7.484 -13.293 -8.903 387 1HB TYR 54 HB2 TYR 54 -6.268 -12.760 -11.027 388 2HB TYR 54 HB1 TYR 54 -5.333 -11.564 -10.137 389 HD1 TYR 54 HD1 TYR 54 -6.066 -15.177 -10.429 390 HD2 TYR 54 HD2 TYR 54 -3.486 -12.216 -8.792 391 HE1 TYR 54 HE1 TYR 54 -4.473 -16.932 -9.778 392 HE2 TYR 54 HE2 TYR 54 -1.886 -13.963 -8.137 393 HH TYR 54 HH TYR 54 -2.135 -17.194 -9.247 394 H GLU 55 HN GLU 55 -7.365 -10.041 -7.924 395 HA GLU 55 HA GLU 55 -5.585 -10.727 -5.676 396 1HB GLU 55 HB2 GLU 55 -6.244 -7.894 -6.322 397 2HB GLU 55 HB1 GLU 55 -4.796 -8.570 -5.597 398 1HG GLU 55 HG2 GLU 55 -5.555 -8.394 -8.478 399 2HG GLU 55 HG1 GLU 55 -4.083 -7.856 -7.672 400 H GLU 56 HN GLU 56 -6.143 -8.808 -3.915 401 HA GLU 56 HA GLU 56 -9.022 -8.872 -3.408 402 1HB GLU 56 HB2 GLU 56 -7.913 -10.806 -2.233 403 2HB GLU 56 HB1 GLU 56 -6.981 -9.633 -1.311 404 1HG GLU 56 HG2 GLU 56 -8.912 -8.804 -0.235 405 2HG GLU 56 HG1 GLU 56 -9.984 -9.655 -1.346 406 H VAL 57 HN VAL 57 -9.670 -6.866 -2.988 407 HA VAL 57 HA VAL 57 -7.940 -5.137 -1.404 408 HB VAL 57 HB VAL 57 -7.438 -4.591 -3.744 409 1HG1 VAL 57 HG11 VAL 57 -9.685 -3.190 -4.606 410 2HG1 VAL 57 HG12 VAL 57 -10.310 -4.719 -3.992 411 3HG1 VAL 57 HG13 VAL 57 -9.071 -4.715 -5.246 412 1HG2 VAL 57 HG21 VAL 57 -8.582 -2.103 -3.408 413 2HG2 VAL 57 HG22 VAL 57 -7.027 -2.629 -2.769 414 3HG2 VAL 57 HG23 VAL 57 -8.472 -2.732 -1.766 415 H THR 58 HN THR 58 -8.962 -3.781 -0.053 416 HA THR 58 HA THR 58 -11.886 -4.004 0.046 417 HB THR 58 HB THR 58 -10.418 -2.652 2.237 418 HG1 THR 58 HG1 THR 58 -10.082 -5.382 1.598 419 1HG2 THR 58 HG21 THR 58 -12.197 -4.970 2.677 420 2HG2 THR 58 HG22 THR 58 -12.928 -3.485 2.065 421 3HG2 THR 58 HG23 THR 58 -12.037 -3.467 3.586 422 H CYS 59 HN CYS 59 -13.120 -2.052 0.661 423 HA CYS 59 HA CYS 59 -11.858 0.425 -0.301 424 1HB CYS 59 HB2 CYS 59 -14.737 -0.213 -0.888 425 2HB CYS 59 HB1 CYS 59 -13.703 0.997 -1.639 426 H CYS 60 HN CYS 60 -12.006 2.038 1.088 427 HA CYS 60 HA CYS 60 -14.290 2.193 2.911 428 1HB CYS 60 HB2 CYS 60 -12.818 2.586 4.825 429 2HB CYS 60 HB1 CYS 60 -12.514 1.006 4.108 430 H SER 61 HN SER 61 -14.702 4.308 3.744 431 HA SER 61 HA SER 61 -13.329 6.436 2.232 432 1HB SER 61 HB2 SER 61 -15.440 7.640 2.116 433 2HB SER 61 HB1 SER 61 -15.641 6.016 1.457 434 HG SER 61 HG SER 61 -16.337 6.829 4.088 435 H THR 62 HN THR 62 -12.127 5.986 4.543 436 HA THR 62 HA THR 62 -12.994 8.239 6.207 437 HB THR 62 HB THR 62 -13.415 6.943 7.967 438 HG1 THR 62 HG1 THR 62 -11.426 7.082 8.766 439 1HG2 THR 62 HG21 THR 62 -14.205 5.103 6.829 440 2HG2 THR 62 HG22 THR 62 -12.954 4.413 7.863 441 3HG2 THR 62 HG23 THR 62 -12.623 4.711 6.158 442 H ASP 63 HN ASP 63 -11.311 9.337 7.322 443 HA ASP 63 HA ASP 63 -9.049 9.913 5.974 444 1HB ASP 63 HB2 ASP 63 -9.641 10.009 8.918 445 2HB ASP 63 HB1 ASP 63 -8.078 10.530 8.296 446 H LYS 64 HN LYS 64 -7.580 8.619 5.218 447 HA LYS 64 HA LYS 64 -6.157 6.841 4.971 448 1HB LYS 64 HB2 LYS 64 -4.382 6.815 6.564 449 2HB LYS 64 HB1 LYS 64 -4.870 8.474 6.300 450 1HG LYS 64 HG2 LYS 64 -6.168 7.088 8.542 451 2HG LYS 64 HG1 LYS 64 -4.443 7.404 8.715 452 1HD LYS 64 HD2 LYS 64 -5.732 9.718 7.644 453 2HD LYS 64 HD1 LYS 64 -6.581 9.197 9.101 454 1HE LYS 64 HE2 LYS 64 -3.616 9.282 9.169 455 2HE LYS 64 HE1 LYS 64 -4.482 10.817 9.183 456 1HZ LYS 64 HZ1 LYS 64 -5.277 10.453 11.245 457 2HZ LYS 64 HZ2 LYS 64 -3.927 9.444 11.380 458 3HZ LYS 64 HZ3 LYS 64 -5.442 8.783 11.026 459 H CYS 65 HN CYS 65 -8.516 5.797 5.422 460 HA CYS 65 HA CYS 65 -8.510 3.978 7.652 461 1HB CYS 65 HB2 CYS 65 -10.596 3.126 6.616 462 2HB CYS 65 HB1 CYS 65 -10.617 4.865 6.892 463 H ASN 66 HN ASN 66 -6.496 3.902 5.241 464 HA ASN 66 HA ASN 66 -6.886 1.070 4.567 465 1HB ASN 66 HB2 ASN 66 -5.205 1.574 2.719 466 2HB ASN 66 HB1 ASN 66 -6.795 2.310 2.544 467 1HD2 ASN 66 HD21 ASN 66 -4.248 3.074 1.396 468 2HD2 ASN 66 HD22 ASN 66 -3.963 4.702 1.895 469 HA PRO 67 HA PRO 67 -3.100 1.234 7.220 470 1HB PRO 67 HB2 PRO 67 -3.900 -0.134 9.323 471 2HB PRO 67 HB1 PRO 67 -4.510 1.514 9.077 472 1HG PRO 67 HG2 PRO 67 -5.832 -1.094 8.392 473 2HG PRO 67 HG1 PRO 67 -6.501 0.283 9.290 474 1HD PRO 67 HD2 PRO 67 -6.904 -0.111 6.606 475 2HD PRO 67 HD1 PRO 67 -6.905 1.487 7.380 476 H HIS 68 HN HIS 68 -1.677 -0.555 7.786 477 HA HIS 68 HA HIS 68 -1.830 -2.647 5.860 478 1HB HIS 68 HB2 HIS 68 0.204 -1.493 7.411 479 2HB HIS 68 HB1 HIS 68 0.153 -3.194 7.876 480 HD1 HIS 68 HD1 HIS 68 0.472 -1.043 4.786 481 HD2 HIS 68 HD2 HIS 68 1.297 -4.912 6.064 482 HE1 HIS 68 HE1 HIS 68 1.652 -2.144 2.873 483 HE2 HIS 68 HE2 HIS 68 1.970 -4.535 3.608 484 HA PRO 69 HA PRO 69 -3.817 -5.797 8.235 485 1HB PRO 69 HB2 PRO 69 -2.612 -7.874 6.641 486 2HB PRO 69 HB1 PRO 69 -4.247 -7.222 6.533 487 1HG PRO 69 HG2 PRO 69 -2.323 -6.894 4.603 488 2HG PRO 69 HG1 PRO 69 -3.699 -5.803 4.836 489 1HD PRO 69 HD2 PRO 69 -0.857 -5.488 5.717 490 2HD PRO 69 HD1 PRO 69 -1.985 -4.274 5.075 491 H LYS 70 HN LYS 70 -0.773 -7.314 7.156 492 HA LYS 70 HA LYS 70 -0.370 -8.571 9.673 493 1HB LYS 70 HB2 LYS 70 1.088 -8.413 7.095 494 2HB LYS 70 HB1 LYS 70 2.038 -8.833 8.516 495 1HG LYS 70 HG2 LYS 70 -0.505 -10.289 8.174 496 2HG LYS 70 HG1 LYS 70 0.762 -10.637 6.998 497 1HD LYS 70 HD2 LYS 70 0.673 -12.083 9.107 498 2HD LYS 70 HD1 LYS 70 2.236 -11.412 8.646 499 1HE LYS 70 HE2 LYS 70 2.091 -9.718 10.310 500 2HE LYS 70 HE1 LYS 70 0.403 -10.104 10.643 501 1HZ LYS 70 HZ1 LYS 70 2.418 -11.011 12.106 502 2HZ LYS 70 HZ2 LYS 70 2.305 -12.275 10.989 503 3HZ LYS 70 HZ3 LYS 70 0.961 -11.853 11.925 504 H GLN 71 HN GLN 71 0.536 -5.527 8.330 505 HA GLN 71 HA GLN 71 2.428 -5.030 10.522 506 1HB GLN 71 HB2 GLN 71 2.038 -3.855 7.806 507 2HB GLN 71 HB1 GLN 71 2.708 -2.829 9.066 508 1HG GLN 71 HG2 GLN 71 4.512 -4.427 9.420 509 2HG GLN 71 HG1 GLN 71 3.836 -5.472 8.171 510 1HE2 GLN 71 HE21 GLN 71 5.216 -5.401 6.539 511 2HE2 GLN 71 HE22 GLN 71 5.838 -3.967 5.805 512 H ARG 72 HN ARG 72 2.188 -3.283 11.891 513 HA ARG 72 HA ARG 72 1.140 -1.209 12.501 514 1HB ARG 72 HB2 ARG 72 -1.101 -0.707 12.158 515 2HB ARG 72 HB1 ARG 72 -0.648 -1.549 10.690 516 1HG ARG 72 HG2 ARG 72 -2.220 -3.088 11.014 517 2HG ARG 72 HG1 ARG 72 -1.669 -3.399 12.657 518 1HD ARG 72 HD2 ARG 72 -3.434 -1.093 11.858 519 2HD ARG 72 HD1 ARG 72 -4.026 -2.621 12.509 520 HE ARG 72 HE ARG 72 -2.148 -1.670 14.306 521 1HH1 ARG 72 HH11 ARG 72 -5.221 -0.630 13.019 522 2HH1 ARG 72 HH12 ARG 72 -5.666 0.242 14.447 523 1HH2 ARG 72 HH21 ARG 72 -2.733 -0.523 16.186 524 2HH2 ARG 72 HH22 ARG 72 -4.253 0.302 16.245 525 HA PRO 73 HA PRO 73 -0.829 -3.886 15.923 526 1HB PRO 73 HB2 PRO 73 -0.555 -6.542 15.839 527 2HB PRO 73 HB1 PRO 73 -1.839 -5.724 14.940 528 1HG PRO 73 HG2 PRO 73 0.755 -6.827 13.961 529 2HG PRO 73 HG1 PRO 73 -0.839 -6.856 13.189 530 1HD PRO 73 HD2 PRO 73 1.197 -5.063 12.605 531 2HD PRO 73 HD1 PRO 73 -0.516 -4.822 12.221 532 H GLY 74 HN GLY 74 1.609 -2.745 15.940 533 1HA GLY 74 HA2 GLY 74 3.563 -4.643 16.977 534 2HA GLY 74 HA1 GLY 74 3.826 -2.930 16.683 535 1H GLU 180 HT1 GLU 180 19.992 12.082 -2.009 536 2H GLU 180 HT2 GLU 180 21.336 13.050 -1.559 537 3H GLU 180 HT3 GLU 180 21.176 12.500 -3.176 538 HA GLU 180 HA GLU 180 19.167 14.202 -1.887 539 1HB GLU 180 HB2 GLU 180 20.314 16.108 -2.956 540 2HB GLU 180 HB1 GLU 180 21.316 15.340 -1.732 541 1HG GLU 180 HG2 GLU 180 21.901 14.072 -4.177 542 2HG GLU 180 HG1 GLU 180 21.874 15.807 -4.489 543 H GLU 181 HN GLU 181 17.682 12.898 -3.124 544 HA GLU 181 HA GLU 181 17.347 13.910 -5.807 545 1HB GLU 181 HB2 GLU 181 18.808 11.656 -5.683 546 2HB GLU 181 HB1 GLU 181 17.198 10.949 -5.689 547 1HG GLU 181 HG2 GLU 181 16.888 11.392 -7.849 548 2HG GLU 181 HG1 GLU 181 17.539 13.024 -7.701 549 H ARG 182 HN ARG 182 15.914 14.064 -3.299 550 HA ARG 182 HA ARG 182 13.708 12.349 -3.164 551 1HB ARG 182 HB2 ARG 182 14.260 15.127 -2.204 552 2HB ARG 182 HB1 ARG 182 12.620 14.502 -2.103 553 1HG ARG 182 HG2 ARG 182 13.340 13.839 -0.070 554 2HG ARG 182 HG1 ARG 182 13.911 12.448 -0.995 555 1HD ARG 182 HD2 ARG 182 15.603 13.397 0.570 556 2HD ARG 182 HD1 ARG 182 16.123 13.350 -1.114 557 HE ARG 182 HE ARG 182 14.951 15.856 -0.485 558 1HH1 ARG 182 HH11 ARG 182 17.866 13.988 -0.040 559 2HH1 ARG 182 HH12 ARG 182 18.883 15.380 0.115 560 1HH2 ARG 182 HH21 ARG 182 16.289 17.687 -0.282 561 2HH2 ARG 182 HH22 ARG 182 17.989 17.481 -0.021 562 H GLY 183 HN GLY 183 12.204 11.993 -4.660 563 1HA GLY 183 HA2 GLY 183 11.107 14.304 -6.108 564 2HA GLY 183 HA1 GLY 183 11.677 12.917 -7.024 565 H TRP 184 HN TRP 184 10.705 10.760 -6.198 566 HA TRP 184 HA TRP 184 7.823 11.194 -5.734 567 1HB TRP 184 HB2 TRP 184 7.630 8.946 -7.017 568 2HB TRP 184 HB1 TRP 184 7.956 10.407 -7.932 569 HD1 TRP 184 HD1 TRP 184 9.674 10.044 -9.702 570 HE1 TRP 184 HE1 TRP 184 11.777 8.595 -10.019 571 HE3 TRP 184 HE3 TRP 184 9.672 7.595 -5.200 572 HZ2 TRP 184 HZ2 TRP 184 13.234 6.682 -8.561 573 HZ3 TRP 184 HZ3 TRP 184 11.457 5.974 -4.753 574 HH2 TRP 184 HH2 TRP 184 13.200 5.523 -6.397 575 H LYS 185 HN LYS 185 7.059 8.575 -5.405 576 HA LYS 185 HA LYS 185 8.559 7.668 -3.040 577 1HB LYS 185 HB2 LYS 185 5.565 7.888 -3.387 578 2HB LYS 185 HB1 LYS 185 6.324 6.986 -2.103 579 1HG LYS 185 HG2 LYS 185 6.353 8.779 -0.876 580 2HG LYS 185 HG1 LYS 185 7.463 9.536 -2.027 581 1HD LYS 185 HD2 LYS 185 5.198 9.889 -3.347 582 2HD LYS 185 HD1 LYS 185 4.532 9.810 -1.713 583 1HE LYS 185 HE2 LYS 185 5.723 11.697 -1.013 584 2HE LYS 185 HE1 LYS 185 6.857 11.593 -2.358 585 1HZ LYS 185 HZ1 LYS 185 3.987 12.140 -2.800 586 2HZ LYS 185 HZ2 LYS 185 5.288 12.436 -3.839 587 3HZ LYS 185 HZ3 LYS 185 5.079 13.386 -2.455 588 H HIS 186 HN HIS 186 8.998 5.516 -2.987 589 HA HIS 186 HA HIS 186 7.467 3.714 -4.722 590 1HB HIS 186 HB2 HIS 186 9.631 4.588 -5.833 591 2HB HIS 186 HB1 HIS 186 10.463 3.525 -4.706 592 HD1 HIS 186 HD1 HIS 186 9.145 3.544 -8.009 593 HD2 HIS 186 HD2 HIS 186 9.343 0.725 -4.963 594 HE1 HIS 186 HE1 HIS 186 8.813 1.318 -9.131 595 HE2 HIS 186 HE2 HIS 186 8.848 -0.365 -7.256 596 H TRP 187 HN TRP 187 6.629 2.336 -3.289 597 HA TRP 187 HA TRP 187 8.403 1.127 -1.241 598 1HB TRP 187 HB2 TRP 187 5.710 2.234 -1.091 599 2HB TRP 187 HB1 TRP 187 5.790 0.606 -0.474 600 HD1 TRP 187 HD1 TRP 187 6.431 4.129 0.466 601 HE1 TRP 187 HE1 TRP 187 7.325 4.296 2.823 602 HE3 TRP 187 HE3 TRP 187 7.502 -0.794 1.222 603 HZ2 TRP 187 HZ2 TRP 187 8.313 2.534 4.822 604 HZ3 TRP 187 HZ3 TRP 187 8.444 -1.451 3.365 605 HH2 TRP 187 HH2 TRP 187 8.822 0.170 5.152 606 H VAL 188 HN VAL 188 7.233 -0.939 -0.453 607 HA VAL 188 HA VAL 188 5.765 -2.516 -2.284 608 HB VAL 188 HB VAL 188 8.396 -3.806 -1.702 609 1HG1 VAL 188 HG11 VAL 188 7.870 -5.161 -3.542 610 2HG1 VAL 188 HG12 VAL 188 6.719 -3.992 -4.187 611 3HG1 VAL 188 HG13 VAL 188 6.328 -4.901 -2.725 612 1HG2 VAL 188 HG21 VAL 188 9.445 -2.993 -3.704 613 2HG2 VAL 188 HG22 VAL 188 9.008 -1.614 -2.697 614 3HG2 VAL 188 HG23 VAL 188 8.028 -2.024 -4.107 615 H TYR 189 HN TYR 189 4.387 -2.790 -0.492 616 HA TYR 189 HA TYR 189 5.620 -3.968 1.894 617 1HB TYR 189 HB2 TYR 189 3.168 -2.395 1.342 618 2HB TYR 189 HB1 TYR 189 3.068 -3.616 2.604 619 HD1 TYR 189 HD1 TYR 189 3.195 -0.351 2.411 620 HD2 TYR 189 HD2 TYR 189 5.704 -3.459 3.865 621 HE1 TYR 189 HE1 TYR 189 4.217 1.226 3.981 622 HE2 TYR 189 HE2 TYR 189 6.732 -1.883 5.450 623 HH TYR 189 HH TYR 189 6.855 0.234 6.140 624 H TYR 190 HN TYR 190 5.362 -6.041 2.429 625 HA TYR 190 HA TYR 190 3.581 -7.668 0.741 626 1HB TYR 190 HB2 TYR 190 6.114 -8.467 2.188 627 2HB TYR 190 HB1 TYR 190 5.097 -9.563 1.268 628 HD1 TYR 190 HD1 TYR 190 6.382 -6.138 0.452 629 HD2 TYR 190 HD2 TYR 190 6.330 -10.267 -0.547 630 HE1 TYR 190 HE1 TYR 190 7.710 -5.671 -1.545 631 HE2 TYR 190 HE2 TYR 190 7.661 -9.815 -2.554 632 HH TYR 190 HH TYR 190 9.081 -6.696 -3.144 633 H THR 191 HN THR 191 1.866 -8.656 1.756 634 HA THR 191 HA THR 191 1.616 -8.509 4.609 635 HB THR 191 HB THR 191 -0.457 -9.506 4.429 636 HG1 THR 191 HG1 THR 191 -1.036 -10.949 2.838 637 1HG2 THR 191 HG21 THR 191 -0.656 -7.483 3.178 638 2HG2 THR 191 HG22 THR 191 -1.604 -8.738 2.382 639 3HG2 THR 191 HG23 THR 191 -0.037 -8.271 1.727 640 H CYS 192 HN CYS 192 2.329 -9.897 6.072 641 HA CYS 192 HA CYS 192 2.404 -12.572 6.254 642 1HB CYS 192 HB2 CYS 192 3.602 -13.398 4.486 643 2HB CYS 192 HB1 CYS 192 4.223 -11.806 4.063 644 H CYS 193 HN CYS 193 4.739 -10.039 5.998 645 HA CYS 193 HA CYS 193 5.747 -10.680 8.678 646 1HB CYS 193 HB2 CYS 193 7.906 -9.878 7.034 647 2HB CYS 193 HB1 CYS 193 7.587 -11.490 7.673 648 HA PRO 194 HA PRO 194 5.465 -6.254 9.032 649 1HB PRO 194 HB2 PRO 194 5.633 -6.107 11.661 650 2HB PRO 194 HB1 PRO 194 4.258 -6.931 10.910 651 1HG PRO 194 HG2 PRO 194 6.719 -8.108 12.139 652 2HG PRO 194 HG1 PRO 194 5.029 -8.615 12.316 653 1HD PRO 194 HD2 PRO 194 6.857 -9.739 10.552 654 2HD PRO 194 HD1 PRO 194 5.092 -9.856 10.405 655 H ASP 195 HN ASP 195 8.153 -8.231 10.002 656 HA ASP 195 HA ASP 195 9.842 -5.867 10.394 657 1HB ASP 195 HB2 ASP 195 10.341 -8.778 11.042 658 2HB ASP 195 HB1 ASP 195 11.497 -7.477 11.319 659 H THR 196 HN THR 196 8.860 -7.291 7.795 660 HA THR 196 HA THR 196 11.498 -7.216 6.516 661 HB THR 196 HB THR 196 11.199 -9.194 5.324 662 HG1 THR 196 HG1 THR 196 9.337 -9.732 4.570 663 1HG2 THR 196 HG21 THR 196 9.734 -9.870 7.857 664 2HG2 THR 196 HG22 THR 196 11.483 -9.672 7.747 665 3HG2 THR 196 HG23 THR 196 10.682 -10.952 6.836 666 HA PRO 197 HA PRO 197 8.284 -4.813 4.129 667 1HB PRO 197 HB2 PRO 197 8.706 -2.326 4.961 668 2HB PRO 197 HB1 PRO 197 7.775 -3.450 5.959 669 1HG PRO 197 HG2 PRO 197 10.618 -2.572 6.242 670 2HG PRO 197 HG1 PRO 197 9.394 -2.831 7.498 671 1HD PRO 197 HD2 PRO 197 11.368 -4.656 6.760 672 2HD PRO 197 HD1 PRO 197 9.889 -5.042 7.660 673 H TYR 198 HN TYR 198 8.896 -4.302 2.051 674 HA TYR 198 HA TYR 198 11.703 -3.505 1.679 675 1HB TYR 198 HB2 TYR 198 9.935 -4.378 -0.580 676 2HB TYR 198 HB1 TYR 198 11.679 -4.503 -0.425 677 HD1 TYR 198 HD1 TYR 198 9.812 -6.644 -1.322 678 HD2 TYR 198 HD2 TYR 198 11.347 -5.713 2.521 679 HE1 TYR 198 HE1 TYR 198 9.527 -8.964 -0.657 680 HE2 TYR 198 HE2 TYR 198 11.058 -8.054 3.212 681 HH TYR 198 HH TYR 198 9.569 -10.019 2.482 682 H LEU 199 HN LEU 199 12.193 -1.520 1.141 683 HA LEU 199 HA LEU 199 10.049 0.283 0.248 684 1HB LEU 199 HB2 LEU 199 12.682 0.920 1.559 685 2HB LEU 199 HB1 LEU 199 11.443 2.077 1.141 686 HG LEU 199 HG LEU 199 9.950 1.086 2.765 687 1HD1 LEU 199 HD11 LEU 199 11.109 -0.501 4.456 688 2HD1 LEU 199 HD12 LEU 199 12.201 -0.848 3.116 689 3HD1 LEU 199 HD13 LEU 199 10.477 -1.169 2.953 690 1HD2 LEU 199 HD21 LEU 199 12.546 1.574 4.165 691 2HD2 LEU 199 HD22 LEU 199 10.918 2.053 4.646 692 3HD2 LEU 199 HD23 LEU 199 11.716 2.868 3.300 693 H ASP 200 HN ASP 200 11.163 2.347 -0.822 694 HA ASP 200 HA ASP 200 13.378 1.942 -2.522 695 1HB ASP 200 HB2 ASP 200 10.690 1.288 -3.613 696 2HB ASP 200 HB1 ASP 200 11.774 2.212 -4.647 697 H ILE 201 HN ILE 201 14.203 3.906 -2.536 698 HA ILE 201 HA ILE 201 12.430 6.192 -3.057 699 HB ILE 201 HB ILE 201 13.882 7.548 -1.498 700 1HG1 ILE 201 HG12 ILE 201 14.753 5.867 0.397 701 2HG1 ILE 201 HG11 ILE 201 14.964 4.819 -1.001 702 1HG2 ILE 201 HG21 ILE 201 11.851 5.545 -0.763 703 2HG2 ILE 201 HG22 ILE 201 11.865 7.293 -0.527 704 3HG2 ILE 201 HG23 ILE 201 12.762 6.248 0.575 705 1HD1 ILE 201 HD11 ILE 201 16.011 7.391 -1.618 706 2HD1 ILE 201 HD12 ILE 201 16.851 5.845 -1.504 707 3HD1 ILE 201 HD13 ILE 201 16.664 6.857 -0.071 708 H THR 202 HN THR 202 15.773 5.009 -2.985 709 HA THR 202 HA THR 202 16.640 7.127 -4.770 710 HB THR 202 HB THR 202 18.111 6.385 -2.941 711 HG1 THR 202 HG1 THR 202 18.947 7.137 -5.030 712 1HG2 THR 202 HG21 THR 202 19.227 4.276 -2.958 713 2HG2 THR 202 HG22 THR 202 18.412 3.802 -4.447 714 3HG2 THR 202 HG23 THR 202 17.487 3.988 -2.956 715 H GLU 203 HN GLU 203 17.268 6.875 -6.885 716 HA GLU 203 HA GLU 203 16.061 4.690 -8.308 717 1HB GLU 203 HB2 GLU 203 16.644 7.303 -8.928 718 2HB GLU 203 HB1 GLU 203 17.878 6.426 -9.823 719 1HG GLU 203 HG2 GLU 203 16.381 5.474 -11.236 720 2HG GLU 203 HG1 GLU 203 15.093 5.443 -10.031 721 H GLU 204 HN GLU 204 19.297 5.634 -7.360 722 HA GLU 204 HA GLU 204 20.476 3.441 -8.884 723 1HB GLU 204 HB2 GLU 204 22.629 4.373 -8.182 724 2HB GLU 204 HB1 GLU 204 21.620 5.605 -8.927 725 1HG GLU 204 HG2 GLU 204 20.977 5.865 -6.289 726 2HG GLU 204 HG1 GLU 204 22.683 5.431 -6.215 Start of MODEL 4 1 1H ILE 1 HT1 ILE 1 -11.620 14.629 3.424 2 2H ILE 1 HT2 ILE 1 -10.691 13.816 2.233 3 3H ILE 1 HT3 ILE 1 -9.916 14.804 3.403 4 HA ILE 1 HA ILE 1 -10.990 13.254 5.079 5 HB ILE 1 HB ILE 1 -11.359 11.010 4.337 6 1HG1 ILE 1 HG12 ILE 1 -11.423 11.255 1.502 7 2HG1 ILE 1 HG11 ILE 1 -9.866 11.858 2.057 8 1HG2 ILE 1 HG21 ILE 1 -13.325 12.322 4.249 9 2HG2 ILE 1 HG22 ILE 1 -13.304 11.362 2.771 10 3HG2 ILE 1 HG23 ILE 1 -12.847 13.064 2.723 11 1HD1 ILE 1 HD11 ILE 1 -9.233 9.823 2.920 12 2HD1 ILE 1 HD12 ILE 1 -10.130 9.359 1.476 13 3HD1 ILE 1 HD13 ILE 1 -10.894 9.247 3.062 14 H VAL 2 HN VAL 2 -9.680 11.251 5.657 15 HA VAL 2 HA VAL 2 -6.859 11.900 5.218 16 HB VAL 2 HB VAL 2 -8.194 10.142 7.290 17 1HG1 VAL 2 HG11 VAL 2 -5.353 11.154 7.159 18 2HG1 VAL 2 HG12 VAL 2 -5.871 9.506 6.814 19 3HG1 VAL 2 HG13 VAL 2 -6.055 10.163 8.438 20 1HG2 VAL 2 HG21 VAL 2 -7.638 11.999 8.845 21 2HG2 VAL 2 HG22 VAL 2 -8.831 12.434 7.620 22 3HG2 VAL 2 HG23 VAL 2 -7.160 12.971 7.453 23 H CYS 3 HN CYS 3 -5.418 10.419 4.300 24 HA CYS 3 HA CYS 3 -6.392 7.703 3.820 25 1HB CYS 3 HB2 CYS 3 -6.929 9.330 1.870 26 2HB CYS 3 HB1 CYS 3 -5.213 9.196 1.502 27 H HIS 4 HN HIS 4 -4.871 6.144 3.434 28 HA HIS 4 HA HIS 4 -2.107 6.815 4.170 29 1HB HIS 4 HB2 HIS 4 -3.796 4.368 4.349 30 2HB HIS 4 HB1 HIS 4 -2.078 4.131 4.075 31 HD1 HIS 4 HD1 HIS 4 -4.190 3.845 6.728 32 HD2 HIS 4 HD2 HIS 4 -0.775 6.155 6.177 33 HE1 HIS 4 HE1 HIS 4 -3.280 4.275 9.037 34 HE2 HIS 4 HE2 HIS 4 -1.273 5.755 8.682 35 H THR 5 HN THR 5 -0.443 5.388 3.080 36 HA THR 5 HA THR 5 -0.892 4.332 0.520 37 HB THR 5 HB THR 5 -1.151 6.468 -0.403 38 HG1 THR 5 HG1 THR 5 1.645 6.070 -0.589 39 1HG2 THR 5 HG21 THR 5 1.032 8.040 0.243 40 2HG2 THR 5 HG22 THR 5 0.507 7.349 1.776 41 3HG2 THR 5 HG23 THR 5 -0.632 8.258 0.787 42 H THR 6 HN THR 6 1.029 3.477 -0.425 43 HA THR 6 HA THR 6 3.272 3.331 1.436 44 HB THR 6 HB THR 6 3.543 1.069 0.780 45 HG1 THR 6 HG1 THR 6 3.069 0.622 -1.203 46 1HG2 THR 6 HG21 THR 6 1.427 0.007 1.341 47 2HG2 THR 6 HG22 THR 6 0.613 1.560 1.121 48 3HG2 THR 6 HG23 THR 6 1.788 1.360 2.418 49 H ALA 7 HN ALA 7 4.624 4.857 0.493 50 HA ALA 7 HA ALA 7 5.908 4.015 -1.918 51 1HB ALA 7 HB1 ALA 7 4.009 5.018 -2.932 52 2HB ALA 7 HB2 ALA 7 5.415 6.033 -3.232 53 3HB ALA 7 HB3 ALA 7 4.235 6.501 -2.007 54 H THR 8 HN THR 8 5.617 6.753 0.404 55 HA THR 8 HA THR 8 8.171 7.789 -0.319 56 HB THR 8 HB THR 8 7.966 9.356 1.393 57 HG1 THR 8 HG1 THR 8 6.259 7.495 2.681 58 1HG2 THR 8 HG21 THR 8 6.237 9.973 -0.001 59 2HG2 THR 8 HG22 THR 8 5.445 9.865 1.568 60 3HG2 THR 8 HG23 THR 8 5.263 8.560 0.398 61 H SER 9 HN SER 9 9.090 8.091 2.598 62 HA SER 9 HA SER 9 10.902 5.905 2.502 63 1HB SER 9 HB2 SER 9 10.441 8.188 4.361 64 2HB SER 9 HB1 SER 9 11.298 6.789 5.007 65 HG SER 9 HG SER 9 12.433 8.654 3.772 66 HA PRO 10 HA PRO 10 8.085 3.864 5.656 67 1HB PRO 10 HB2 PRO 10 6.738 5.301 7.464 68 2HB PRO 10 HB1 PRO 10 8.499 5.186 7.565 69 1HG PRO 10 HG2 PRO 10 6.832 7.484 6.832 70 2HG PRO 10 HG1 PRO 10 8.532 7.447 7.324 71 1HD PRO 10 HD2 PRO 10 7.380 7.499 4.630 72 2HD PRO 10 HD1 PRO 10 9.050 7.801 5.138 73 H ILE 11 HN ILE 11 5.453 3.979 6.479 74 HA ILE 11 HA ILE 11 3.995 4.065 4.035 75 HB ILE 11 HB ILE 11 2.709 4.260 6.755 76 1HG1 ILE 11 HG12 ILE 11 2.772 1.556 5.993 77 2HG1 ILE 11 HG11 ILE 11 4.414 2.155 5.781 78 1HG2 ILE 11 HG21 ILE 11 1.020 2.768 5.553 79 2HG2 ILE 11 HG22 ILE 11 1.855 3.243 4.072 80 3HG2 ILE 11 HG23 ILE 11 1.093 4.468 5.086 81 1HD1 ILE 11 HD11 ILE 11 2.867 2.599 8.309 82 2HD1 ILE 11 HD12 ILE 11 4.606 2.737 8.043 83 3HD1 ILE 11 HD13 ILE 11 3.833 1.151 8.028 84 H SER 12 HN SER 12 2.912 5.806 3.093 85 HA SER 12 HA SER 12 3.318 8.366 4.436 86 1HB SER 12 HB2 SER 12 2.420 9.112 2.027 87 2HB SER 12 HB1 SER 12 4.103 8.685 2.316 88 HG SER 12 HG SER 12 2.292 6.667 1.607 89 H ALA 13 HN ALA 13 1.704 9.984 4.476 90 HA ALA 13 HA ALA 13 -1.061 8.981 4.419 91 1HB ALA 13 HB1 ALA 13 -0.946 10.882 6.463 92 2HB ALA 13 HB2 ALA 13 0.478 9.868 6.689 93 3HB ALA 13 HB3 ALA 13 -1.124 9.136 6.636 94 H VAL 14 HN VAL 14 -2.215 10.147 3.025 95 HA VAL 14 HA VAL 14 -1.852 13.053 2.961 96 HB VAL 14 HB VAL 14 -2.088 13.004 0.456 97 1HG1 VAL 14 HG11 VAL 14 0.357 12.147 0.160 98 2HG1 VAL 14 HG12 VAL 14 0.321 12.021 1.918 99 3HG1 VAL 14 HG13 VAL 14 0.036 13.578 1.139 100 1HG2 VAL 14 HG21 VAL 14 -0.989 10.271 0.349 101 2HG2 VAL 14 HG22 VAL 14 -2.095 11.095 -0.749 102 3HG2 VAL 14 HG23 VAL 14 -2.703 10.394 0.750 103 H THR 15 HN THR 15 -3.666 14.222 2.141 104 HA THR 15 HA THR 15 -6.176 12.940 2.750 105 HB THR 15 HB THR 15 -5.635 15.296 3.410 106 HG1 THR 15 HG1 THR 15 -7.712 15.426 3.470 107 1HG2 THR 15 HG21 THR 15 -4.529 16.024 1.361 108 2HG2 THR 15 HG22 THR 15 -5.880 17.073 1.794 109 3HG2 THR 15 HG23 THR 15 -6.061 15.890 0.498 110 H CYS 16 HN CYS 16 -7.986 12.852 1.320 111 HA CYS 16 HA CYS 16 -7.178 12.255 -1.414 112 1HB CYS 16 HB2 CYS 16 -9.559 11.610 0.261 113 2HB CYS 16 HB1 CYS 16 -9.700 11.533 -1.485 114 HA PRO 17 HA PRO 17 -8.911 15.941 -3.160 115 1HB PRO 17 HB2 PRO 17 -9.232 15.151 -5.712 116 2HB PRO 17 HB1 PRO 17 -7.629 15.382 -5.004 117 1HG PRO 17 HG2 PRO 17 -9.163 12.849 -5.439 118 2HG PRO 17 HG1 PRO 17 -7.446 13.181 -5.730 119 1HD PRO 17 HD2 PRO 17 -8.374 11.892 -3.510 120 2HD PRO 17 HD1 PRO 17 -6.884 12.853 -3.532 121 HA PRO 18 HA PRO 18 -13.318 16.003 -3.428 122 1HB PRO 18 HB2 PRO 18 -13.801 16.933 -6.014 123 2HB PRO 18 HB1 PRO 18 -13.520 17.938 -4.590 124 1HG PRO 18 HG2 PRO 18 -11.612 17.103 -6.727 125 2HG PRO 18 HG1 PRO 18 -11.739 18.653 -5.877 126 1HD PRO 18 HD2 PRO 18 -9.820 16.903 -5.265 127 2HD PRO 18 HD1 PRO 18 -10.623 17.854 -4.000 128 H GLY 19 HN GLY 19 -11.837 14.683 -6.388 129 1HA GLY 19 HA2 GLY 19 -14.123 13.161 -7.149 130 2HA GLY 19 HA1 GLY 19 -12.486 12.946 -7.759 131 H GLU 20 HN GLU 20 -11.000 11.667 -6.486 132 HA GLU 20 HA GLU 20 -12.275 9.357 -5.344 133 1HB GLU 20 HB2 GLU 20 -9.365 10.143 -5.621 134 2HB GLU 20 HB1 GLU 20 -9.908 8.595 -4.991 135 1HG GLU 20 HG2 GLU 20 -10.181 7.772 -7.031 136 2HG GLU 20 HG1 GLU 20 -11.135 9.166 -7.536 137 H ASN 21 HN ASN 21 -13.163 9.643 -3.354 138 HA ASN 21 HA ASN 21 -11.641 11.207 -1.388 139 1HB ASN 21 HB2 ASN 21 -14.424 10.327 -0.810 140 2HB ASN 21 HB1 ASN 21 -13.606 11.823 -0.375 141 1HD2 ASN 21 HD21 ASN 21 -14.991 10.041 -3.037 142 2HD2 ASN 21 HD22 ASN 21 -15.463 11.419 -3.974 143 H LEU 22 HN LEU 22 -12.022 8.040 -2.218 144 HA LEU 22 HA LEU 22 -11.922 7.217 0.574 145 1HB LEU 22 HB2 LEU 22 -12.159 4.862 -0.841 146 2HB LEU 22 HB1 LEU 22 -13.430 5.699 0.010 147 HG LEU 22 HG LEU 22 -12.783 6.290 -2.786 148 1HD1 LEU 22 HD11 LEU 22 -13.937 3.887 -1.775 149 2HD1 LEU 22 HD12 LEU 22 -13.554 4.320 -3.442 150 3HD1 LEU 22 HD13 LEU 22 -15.115 4.764 -2.752 151 1HD2 LEU 22 HD21 LEU 22 -14.488 7.723 -2.730 152 2HD2 LEU 22 HD22 LEU 22 -14.405 7.547 -0.975 153 3HD2 LEU 22 HD23 LEU 22 -15.524 6.553 -1.911 154 H CYS 23 HN CYS 23 -10.773 4.762 0.350 155 HA CYS 23 HA CYS 23 -8.100 5.255 -0.734 156 1HB CYS 23 HB2 CYS 23 -8.679 4.121 1.990 157 2HB CYS 23 HB1 CYS 23 -7.100 4.323 1.256 158 H TYR 24 HN TYR 24 -7.770 3.663 -2.204 159 HA TYR 24 HA TYR 24 -9.222 1.199 -2.011 160 1HB TYR 24 HB2 TYR 24 -8.058 0.539 -4.054 161 2HB TYR 24 HB1 TYR 24 -8.722 2.163 -4.212 162 HD1 TYR 24 HD1 TYR 24 -7.262 4.106 -4.159 163 HD2 TYR 24 HD2 TYR 24 -5.675 0.152 -4.092 164 HE1 TYR 24 HE1 TYR 24 -5.054 4.985 -4.766 165 HE2 TYR 24 HE2 TYR 24 -3.469 1.028 -4.682 166 HH TYR 24 HH TYR 24 -2.221 3.191 -4.509 167 H ARG 25 HN ARG 25 -8.335 -0.855 -1.829 168 HA ARG 25 HA ARG 25 -5.773 -0.979 -0.405 169 1HB ARG 25 HB2 ARG 25 -7.867 -1.434 0.969 170 2HB ARG 25 HB1 ARG 25 -8.090 -2.874 -0.017 171 1HG ARG 25 HG2 ARG 25 -7.007 -3.448 2.059 172 2HG ARG 25 HG1 ARG 25 -5.895 -3.693 0.711 173 1HD ARG 25 HD2 ARG 25 -4.539 -1.983 1.333 174 2HD ARG 25 HD1 ARG 25 -5.856 -1.043 2.032 175 HE ARG 25 HE ARG 25 -4.087 -2.673 3.439 176 1HH1 ARG 25 HH11 ARG 25 -7.517 -2.013 3.256 177 2HH1 ARG 25 HH12 ARG 25 -7.829 -2.531 4.877 178 1HH2 ARG 25 HH21 ARG 25 -4.508 -3.348 5.577 179 2HH2 ARG 25 HH22 ARG 25 -6.124 -3.282 6.196 180 H LYS 26 HN LYS 26 -4.674 -1.365 -2.357 181 HA LYS 26 HA LYS 26 -5.423 -3.591 -4.029 182 1HB LYS 26 HB2 LYS 26 -3.113 -1.670 -3.978 183 2HB LYS 26 HB1 LYS 26 -3.126 -3.050 -5.062 184 1HG LYS 26 HG2 LYS 26 -5.606 -1.685 -5.309 185 2HG LYS 26 HG1 LYS 26 -4.295 -0.514 -5.429 186 1HD LYS 26 HD2 LYS 26 -4.769 -1.340 -7.623 187 2HD LYS 26 HD1 LYS 26 -3.211 -1.991 -7.104 188 1HE LYS 26 HE2 LYS 26 -4.133 -4.107 -6.638 189 2HE LYS 26 HE1 LYS 26 -5.782 -3.483 -6.733 190 1HZ LYS 26 HZ1 LYS 26 -4.031 -4.365 -8.851 191 2HZ LYS 26 HZ2 LYS 26 -4.809 -2.899 -9.178 192 3HZ LYS 26 HZ3 LYS 26 -5.720 -4.276 -8.812 193 H MET 27 HN MET 27 -4.811 -5.630 -3.796 194 HA MET 27 HA MET 27 -2.331 -6.282 -2.508 195 1HB MET 27 HB2 MET 27 -4.286 -5.908 -0.762 196 2HB MET 27 HB1 MET 27 -4.714 -7.545 -1.238 197 1HG MET 27 HG2 MET 27 -2.387 -8.234 -0.660 198 2HG MET 27 HG1 MET 27 -2.135 -6.617 -0.006 199 1HE MET 27 HE1 MET 27 -4.531 -9.610 -0.012 200 2HE MET 27 HE2 MET 27 -4.793 -9.933 1.703 201 3HE MET 27 HE3 MET 27 -3.208 -10.219 0.984 202 H TRP 28 HN TRP 28 -1.571 -8.233 -2.992 203 HA TRP 28 HA TRP 28 -3.189 -10.358 -4.013 204 1HB TRP 28 HB2 TRP 28 -2.199 -10.522 -6.225 205 2HB TRP 28 HB1 TRP 28 -3.037 -8.987 -6.033 206 HD1 TRP 28 HD1 TRP 28 0.360 -10.467 -6.638 207 HE1 TRP 28 HE1 TRP 28 2.024 -8.570 -7.202 208 HE3 TRP 28 HE3 TRP 28 -2.572 -6.497 -5.455 209 HZ2 TRP 28 HZ2 TRP 28 2.060 -5.733 -7.131 210 HZ3 TRP 28 HZ3 TRP 28 -1.670 -4.219 -5.707 211 HH2 TRP 28 HH2 TRP 28 0.603 -3.843 -6.521 212 H CYS 29 HN CYS 29 -1.043 -11.755 -5.344 213 HA CYS 29 HA CYS 29 0.761 -12.051 -3.045 214 1HB CYS 29 HB2 CYS 29 0.726 -14.413 -3.223 215 2HB CYS 29 HB1 CYS 29 -0.947 -13.874 -3.262 216 H ASP 30 HN ASP 30 2.778 -11.771 -3.359 217 HA ASP 30 HA ASP 30 3.971 -12.474 -5.939 218 1HB ASP 30 HB2 ASP 30 3.616 -9.993 -5.820 219 2HB ASP 30 HB1 ASP 30 4.676 -9.958 -4.414 220 H ALA 31 HN ALA 31 4.815 -14.297 -5.106 221 HA ALA 31 HA ALA 31 6.734 -15.370 -4.385 222 1HB ALA 31 HB1 ALA 31 8.404 -14.342 -3.334 223 2HB ALA 31 HB2 ALA 31 7.336 -13.599 -2.149 224 3HB ALA 31 HB3 ALA 31 7.516 -12.878 -3.745 225 H PHE 32 HN PHE 32 4.294 -14.011 -2.145 226 HA PHE 32 HA PHE 32 4.762 -16.025 -0.164 227 1HB PHE 32 HB2 PHE 32 3.197 -13.828 -0.156 228 2HB PHE 32 HB1 PHE 32 1.988 -15.035 -0.535 229 HD1 PHE 32 HD1 PHE 32 4.976 -15.346 1.629 230 HD2 PHE 32 HD2 PHE 32 0.729 -15.195 1.420 231 HE1 PHE 32 HE1 PHE 32 4.839 -15.958 4.014 232 HE2 PHE 32 HE2 PHE 32 0.583 -15.804 3.801 233 HZ PHE 32 HZ PHE 32 2.640 -16.186 5.101 234 H CYS 33 HN CYS 33 3.131 -15.718 -3.155 235 HA CYS 33 HA CYS 33 1.685 -18.179 -3.059 236 1HB CYS 33 HB2 CYS 33 2.224 -15.998 -4.989 237 2HB CYS 33 HB1 CYS 33 2.010 -17.589 -5.721 238 H SER 34 HN SER 34 4.733 -16.932 -4.207 239 HA SER 34 HA SER 34 5.674 -19.545 -5.070 240 1HB SER 34 HB2 SER 34 6.188 -16.909 -5.902 241 2HB SER 34 HB1 SER 34 7.682 -17.466 -5.151 242 HG SER 34 HG SER 34 6.464 -18.281 -7.482 243 H SER 35 HN SER 35 7.355 -16.968 -3.251 244 HA SER 35 HA SER 35 7.972 -18.900 -1.141 245 1HB SER 35 HB2 SER 35 10.406 -17.987 -1.268 246 2HB SER 35 HB1 SER 35 9.881 -19.243 -2.388 247 HG SER 35 HG SER 35 10.883 -17.680 -3.591 248 H ARG 36 HN ARG 36 8.662 -15.464 -2.029 249 HA ARG 36 HA ARG 36 9.171 -14.751 0.647 250 1HB ARG 36 HB2 ARG 36 10.349 -13.436 -0.769 251 2HB ARG 36 HB1 ARG 36 9.041 -13.252 -1.907 252 1HG ARG 36 HG2 ARG 36 8.094 -11.502 -0.739 253 2HG ARG 36 HG1 ARG 36 8.859 -11.976 0.780 254 1HD ARG 36 HD2 ARG 36 9.863 -9.949 -0.225 255 2HD ARG 36 HD1 ARG 36 11.008 -11.275 -0.031 256 HE ARG 36 HE ARG 36 9.839 -11.288 -2.619 257 1HH1 ARG 36 HH11 ARG 36 12.247 -9.683 -0.666 258 2HH1 ARG 36 HH12 ARG 36 13.216 -9.214 -2.022 259 1HH2 ARG 36 HH21 ARG 36 11.115 -10.671 -4.406 260 2HH2 ARG 36 HH22 ARG 36 12.573 -9.773 -4.145 261 H GLY 37 HN GLY 37 6.723 -12.703 -1.073 262 1HA GLY 37 HA2 GLY 37 4.739 -13.494 0.893 263 2HA GLY 37 HA1 GLY 37 5.461 -11.935 1.207 264 H LYS 38 HN LYS 38 2.886 -11.828 1.010 265 HA LYS 38 HA LYS 38 1.869 -11.558 -1.639 266 1HB LYS 38 HB2 LYS 38 0.870 -11.116 1.113 267 2HB LYS 38 HB1 LYS 38 0.089 -10.179 -0.153 268 1HG LYS 38 HG2 LYS 38 -0.905 -11.991 -1.073 269 2HG LYS 38 HG1 LYS 38 0.428 -13.070 -0.659 270 1HD LYS 38 HD2 LYS 38 -0.338 -12.773 1.768 271 2HD LYS 38 HD1 LYS 38 -1.823 -12.112 1.080 272 1HE LYS 38 HE2 LYS 38 -2.403 -14.132 0.078 273 2HE LYS 38 HE1 LYS 38 -0.758 -14.758 0.170 274 1HZ LYS 38 HZ1 LYS 38 -0.968 -15.144 2.460 275 2HZ LYS 38 HZ2 LYS 38 -2.419 -15.704 1.794 276 3HZ LYS 38 HZ3 LYS 38 -2.375 -14.212 2.589 277 H VAL 39 HN VAL 39 0.770 -9.374 -2.232 278 HA VAL 39 HA VAL 39 2.801 -7.290 -1.818 279 HB VAL 39 HB VAL 39 0.908 -7.695 -4.127 280 1HG1 VAL 39 HG11 VAL 39 2.532 -5.370 -3.256 281 2HG1 VAL 39 HG12 VAL 39 1.050 -5.418 -4.208 282 3HG1 VAL 39 HG13 VAL 39 2.601 -5.775 -4.968 283 1HG2 VAL 39 HG21 VAL 39 3.918 -7.762 -4.020 284 2HG2 VAL 39 HG22 VAL 39 2.894 -8.127 -5.408 285 3HG2 VAL 39 HG23 VAL 39 2.881 -9.187 -4.000 286 H VAL 40 HN VAL 40 2.236 -5.211 -1.372 287 HA VAL 40 HA VAL 40 -0.572 -4.600 -0.823 288 HB VAL 40 HB VAL 40 1.497 -3.770 1.178 289 1HG1 VAL 40 HG11 VAL 40 -1.441 -3.828 0.958 290 2HG1 VAL 40 HG12 VAL 40 -0.383 -2.678 1.775 291 3HG1 VAL 40 HG13 VAL 40 -0.775 -4.216 2.544 292 1HG2 VAL 40 HG21 VAL 40 0.365 -6.480 0.823 293 2HG2 VAL 40 HG22 VAL 40 0.440 -5.850 2.467 294 3HG2 VAL 40 HG23 VAL 40 1.912 -5.981 1.505 295 H GLU 41 HN GLU 41 -1.121 -2.761 -1.662 296 HA GLU 41 HA GLU 41 0.709 -0.494 -1.698 297 1HB GLU 41 HB2 GLU 41 -0.313 -0.022 -4.077 298 2HB GLU 41 HB1 GLU 41 1.119 -1.025 -3.896 299 1HG GLU 41 HG2 GLU 41 0.056 -2.892 -4.565 300 2HG GLU 41 HG1 GLU 41 -1.464 -2.427 -3.804 301 H LEU 42 HN LEU 42 -0.448 0.830 -0.382 302 HA LEU 42 HA LEU 42 -3.355 0.957 -0.689 303 1HB LEU 42 HB2 LEU 42 -1.919 2.582 1.351 304 2HB LEU 42 HB1 LEU 42 -3.479 1.789 1.449 305 HG LEU 42 HG LEU 42 -0.771 0.510 1.722 306 1HD1 LEU 42 HD11 LEU 42 -1.994 1.794 3.628 307 2HD1 LEU 42 HD12 LEU 42 -1.237 0.231 3.945 308 3HD1 LEU 42 HD13 LEU 42 -2.982 0.334 3.702 309 1HD2 LEU 42 HD21 LEU 42 -1.653 -1.383 0.965 310 2HD2 LEU 42 HD22 LEU 42 -3.242 -0.634 0.796 311 3HD2 LEU 42 HD23 LEU 42 -2.764 -1.353 2.334 312 H GLY 43 HN GLY 43 -4.480 2.899 -1.068 313 1HA GLY 43 HA2 GLY 43 -3.123 5.382 -1.455 314 2HA GLY 43 HA1 GLY 43 -3.446 4.600 -2.992 315 H CYS 44 HN CYS 44 -4.682 6.634 -3.294 316 HA CYS 44 HA CYS 44 -7.313 6.566 -1.988 317 1HB CYS 44 HB2 CYS 44 -6.001 8.684 -1.866 318 2HB CYS 44 HB1 CYS 44 -6.083 8.793 -3.621 319 H ALA 45 HN ALA 45 -9.110 6.093 -3.108 320 HA ALA 45 HA ALA 45 -8.973 6.068 -6.045 321 1HB ALA 45 HB1 ALA 45 -9.855 3.827 -4.254 322 2HB ALA 45 HB2 ALA 45 -8.643 3.802 -5.535 323 3HB ALA 45 HB3 ALA 45 -10.354 3.938 -5.942 324 H ALA 46 HN ALA 46 -11.276 5.597 -6.932 325 HA ALA 46 HA ALA 46 -13.184 7.252 -5.414 326 1HB ALA 46 HB1 ALA 46 -13.019 8.632 -7.170 327 2HB ALA 46 HB2 ALA 46 -14.021 7.449 -8.008 328 3HB ALA 46 HB3 ALA 46 -12.267 7.403 -8.187 329 H THR 47 HN THR 47 -12.656 4.377 -7.325 330 HA THR 47 HA THR 47 -14.900 3.069 -6.209 331 HB THR 47 HB THR 47 -16.075 4.517 -7.847 332 HG1 THR 47 HG1 THR 47 -16.848 2.382 -7.325 333 1HG2 THR 47 HG21 THR 47 -15.198 4.869 -9.843 334 2HG2 THR 47 HG22 THR 47 -15.610 3.205 -10.256 335 3HG2 THR 47 HG23 THR 47 -14.012 3.583 -9.609 336 H CYS 48 HN CYS 48 -12.340 2.344 -6.203 337 HA CYS 48 HA CYS 48 -11.247 0.839 -8.202 338 1HB CYS 48 HB2 CYS 48 -9.967 -0.290 -6.526 339 2HB CYS 48 HB1 CYS 48 -10.228 1.362 -5.986 340 HA PRO 49 HA PRO 49 -14.118 -2.564 -8.571 341 1HB PRO 49 HB2 PRO 49 -13.078 -3.692 -10.747 342 2HB PRO 49 HB1 PRO 49 -13.828 -2.093 -10.822 343 1HG PRO 49 HG2 PRO 49 -10.944 -2.834 -10.818 344 2HG PRO 49 HG1 PRO 49 -11.765 -1.516 -11.669 345 1HD PRO 49 HD2 PRO 49 -10.345 -1.315 -9.246 346 2HD PRO 49 HD1 PRO 49 -11.420 -0.090 -9.941 347 H SER 50 HN SER 50 -14.139 -4.295 -7.289 348 HA SER 50 HA SER 50 -12.026 -5.572 -6.089 349 1HB SER 50 HB2 SER 50 -14.555 -7.012 -6.877 350 2HB SER 50 HB1 SER 50 -13.540 -7.297 -5.464 351 HG SER 50 HG SER 50 -14.131 -5.065 -4.866 352 H LYS 51 HN LYS 51 -10.454 -6.941 -6.753 353 HA LYS 51 HA LYS 51 -10.649 -7.992 -9.435 354 1HB LYS 51 HB2 LYS 51 -8.189 -8.782 -8.818 355 2HB LYS 51 HB1 LYS 51 -8.560 -7.200 -9.467 356 1HG LYS 51 HG2 LYS 51 -8.752 -6.722 -6.808 357 2HG LYS 51 HG1 LYS 51 -7.527 -7.972 -6.845 358 1HD LYS 51 HD2 LYS 51 -6.951 -6.172 -8.948 359 2HD LYS 51 HD1 LYS 51 -7.277 -5.210 -7.510 360 1HE LYS 51 HE2 LYS 51 -5.306 -7.483 -7.704 361 2HE LYS 51 HE1 LYS 51 -4.902 -5.775 -7.718 362 1HZ LYS 51 HZ1 LYS 51 -4.557 -6.490 -5.532 363 2HZ LYS 51 HZ2 LYS 51 -6.006 -7.360 -5.480 364 3HZ LYS 51 HZ3 LYS 51 -6.036 -5.669 -5.483 365 H LYS 52 HN LYS 52 -9.222 -10.216 -9.540 366 HA LYS 52 HA LYS 52 -10.899 -12.248 -9.049 367 1HB LYS 52 HB2 LYS 52 -8.774 -13.712 -8.786 368 2HB LYS 52 HB1 LYS 52 -9.047 -12.848 -10.291 369 1HG LYS 52 HG2 LYS 52 -7.578 -11.006 -9.154 370 2HG LYS 52 HG1 LYS 52 -7.034 -12.354 -8.155 371 1HD LYS 52 HD2 LYS 52 -5.515 -12.536 -9.842 372 2HD LYS 52 HD1 LYS 52 -6.807 -13.516 -10.535 373 1HE LYS 52 HE2 LYS 52 -7.541 -11.068 -11.398 374 2HE LYS 52 HE1 LYS 52 -5.791 -10.868 -11.340 375 1HZ LYS 52 HZ1 LYS 52 -7.020 -13.205 -12.665 376 2HZ LYS 52 HZ2 LYS 52 -5.472 -12.560 -12.883 377 3HZ LYS 52 HZ3 LYS 52 -6.821 -11.739 -13.485 378 HA PRO 53 HA PRO 53 -11.552 -13.347 -4.877 379 1HB PRO 53 HB2 PRO 53 -10.696 -16.017 -4.886 380 2HB PRO 53 HB1 PRO 53 -12.320 -15.438 -5.264 381 1HG PRO 53 HG2 PRO 53 -10.089 -16.167 -7.103 382 2HG PRO 53 HG1 PRO 53 -11.836 -16.413 -7.296 383 1HD PRO 53 HD2 PRO 53 -10.564 -14.476 -8.624 384 2HD PRO 53 HD1 PRO 53 -12.194 -14.213 -7.967 385 H TYR 54 HN TYR 54 -8.374 -13.991 -6.222 386 HA TYR 54 HA TYR 54 -7.288 -14.141 -3.510 387 1HB TYR 54 HB2 TYR 54 -5.093 -14.583 -4.893 388 2HB TYR 54 HB1 TYR 54 -6.259 -15.863 -4.590 389 HD1 TYR 54 HD1 TYR 54 -4.498 -13.987 -7.074 390 HD2 TYR 54 HD2 TYR 54 -7.945 -16.385 -6.403 391 HE1 TYR 54 HE1 TYR 54 -4.663 -14.416 -9.493 392 HE2 TYR 54 HE2 TYR 54 -8.126 -16.819 -8.822 393 HH TYR 54 HH TYR 54 -6.090 -16.730 -10.860 394 H GLU 55 HN GLU 55 -7.798 -11.836 -5.926 395 HA GLU 55 HA GLU 55 -5.558 -10.221 -4.907 396 1HB GLU 55 HB2 GLU 55 -7.101 -10.049 -7.497 397 2HB GLU 55 HB1 GLU 55 -5.946 -8.843 -6.964 398 1HG GLU 55 HG2 GLU 55 -4.169 -10.496 -6.983 399 2HG GLU 55 HG1 GLU 55 -5.318 -11.732 -7.489 400 H GLU 56 HN GLU 56 -6.119 -8.764 -3.444 401 HA GLU 56 HA GLU 56 -8.910 -7.949 -3.246 402 1HB GLU 56 HB2 GLU 56 -7.345 -8.806 -1.317 403 2HB GLU 56 HB1 GLU 56 -6.832 -7.125 -1.268 404 1HG GLU 56 HG2 GLU 56 -8.524 -7.254 0.317 405 2HG GLU 56 HG1 GLU 56 -9.316 -6.560 -1.098 406 H VAL 57 HN VAL 57 -9.651 -6.026 -3.685 407 HA VAL 57 HA VAL 57 -7.938 -3.675 -3.735 408 HB VAL 57 HB VAL 57 -7.809 -4.414 -6.053 409 1HG1 VAL 57 HG11 VAL 57 -10.729 -4.082 -6.471 410 2HG1 VAL 57 HG12 VAL 57 -10.157 -5.580 -5.741 411 3HG1 VAL 57 HG13 VAL 57 -9.576 -5.104 -7.338 412 1HG2 VAL 57 HG21 VAL 57 -7.828 -2.057 -5.810 413 2HG2 VAL 57 HG22 VAL 57 -9.575 -2.027 -5.567 414 3HG2 VAL 57 HG23 VAL 57 -8.912 -2.425 -7.151 415 H THR 58 HN THR 58 -9.255 -3.446 -1.806 416 HA THR 58 HA THR 58 -12.093 -2.918 -2.277 417 HB THR 58 HB THR 58 -10.609 -2.920 0.351 418 HG1 THR 58 HG1 THR 58 -12.082 -5.037 -0.818 419 1HG2 THR 58 HG21 THR 58 -13.408 -2.560 -0.384 420 2HG2 THR 58 HG22 THR 58 -12.560 -2.162 1.110 421 3HG2 THR 58 HG23 THR 58 -13.135 -3.806 0.833 422 H CYS 59 HN CYS 59 -13.089 -1.006 -2.061 423 HA CYS 59 HA CYS 59 -11.379 1.366 -1.783 424 1HB CYS 59 HB2 CYS 59 -14.248 1.610 -2.552 425 2HB CYS 59 HB1 CYS 59 -12.856 2.522 -3.115 426 H CYS 60 HN CYS 60 -11.663 2.790 -0.091 427 HA CYS 60 HA CYS 60 -14.039 2.453 1.585 428 1HB CYS 60 HB2 CYS 60 -12.730 2.329 3.638 429 2HB CYS 60 HB1 CYS 60 -12.324 0.998 2.559 430 H SER 61 HN SER 61 -14.935 4.377 1.868 431 HA SER 61 HA SER 61 -13.290 6.759 1.587 432 1HB SER 61 HB2 SER 61 -15.288 7.951 1.113 433 2HB SER 61 HB1 SER 61 -15.400 6.415 0.250 434 HG SER 61 HG SER 61 -16.635 7.081 2.721 435 H THR 62 HN THR 62 -12.446 6.022 3.865 436 HA THR 62 HA THR 62 -13.825 7.729 5.787 437 HB THR 62 HB THR 62 -13.247 5.881 7.526 438 HG1 THR 62 HG1 THR 62 -12.918 3.947 6.762 439 1HG2 THR 62 HG21 THR 62 -15.580 5.192 5.809 440 2HG2 THR 62 HG22 THR 62 -15.553 6.704 6.716 441 3HG2 THR 62 HG23 THR 62 -15.431 5.163 7.567 442 H ASP 63 HN ASP 63 -12.479 8.777 7.198 443 HA ASP 63 HA ASP 63 -9.982 9.498 6.552 444 1HB ASP 63 HB2 ASP 63 -11.257 9.236 9.261 445 2HB ASP 63 HB1 ASP 63 -9.623 9.871 9.083 446 H LYS 64 HN LYS 64 -8.176 8.485 6.209 447 HA LYS 64 HA LYS 64 -6.574 6.838 6.174 448 1HB LYS 64 HB2 LYS 64 -6.479 8.199 8.496 449 2HB LYS 64 HB1 LYS 64 -6.725 6.574 9.122 450 1HG LYS 64 HG2 LYS 64 -4.363 7.135 8.997 451 2HG LYS 64 HG1 LYS 64 -4.777 5.799 7.926 452 1HD LYS 64 HD2 LYS 64 -3.645 6.963 6.376 453 2HD LYS 64 HD1 LYS 64 -5.109 7.929 6.271 454 1HE LYS 64 HE2 LYS 64 -4.066 9.322 8.167 455 2HE LYS 64 HE1 LYS 64 -2.561 8.520 7.727 456 1HZ LYS 64 HZ1 LYS 64 -2.867 10.665 6.598 457 2HZ LYS 64 HZ2 LYS 64 -4.255 10.067 5.842 458 3HZ LYS 64 HZ3 LYS 64 -2.750 9.379 5.505 459 H CYS 65 HN CYS 65 -8.758 5.642 5.461 460 HA CYS 65 HA CYS 65 -9.360 3.419 7.208 461 1HB CYS 65 HB2 CYS 65 -11.102 2.880 5.612 462 2HB CYS 65 HB1 CYS 65 -11.160 4.586 6.053 463 H ASN 66 HN ASN 66 -7.032 3.954 4.813 464 HA ASN 66 HA ASN 66 -7.042 1.108 4.065 465 1HB ASN 66 HB2 ASN 66 -5.610 1.770 2.167 466 2HB ASN 66 HB1 ASN 66 -7.171 2.584 2.149 467 1HD2 ASN 66 HD21 ASN 66 -4.546 3.260 0.976 468 2HD2 ASN 66 HD22 ASN 66 -4.205 4.857 1.533 469 HA PRO 67 HA PRO 67 -3.171 1.459 6.529 470 1HB PRO 67 HB2 PRO 67 -3.773 0.050 8.663 471 2HB PRO 67 HB1 PRO 67 -4.542 1.634 8.441 472 1HG PRO 67 HG2 PRO 67 -5.663 -1.095 7.897 473 2HG PRO 67 HG1 PRO 67 -6.426 0.284 8.713 474 1HD PRO 67 HD2 PRO 67 -6.734 -0.367 6.015 475 2HD PRO 67 HD1 PRO 67 -7.082 1.211 6.745 476 H HIS 68 HN HIS 68 -2.107 -0.797 7.684 477 HA HIS 68 HA HIS 68 -2.023 -2.594 5.389 478 1HB HIS 68 HB2 HIS 68 -0.078 -1.729 7.286 479 2HB HIS 68 HB1 HIS 68 -0.198 -3.487 7.372 480 HD1 HIS 68 HD1 HIS 68 0.836 -4.819 5.455 481 HD2 HIS 68 HD2 HIS 68 0.586 -0.733 4.687 482 HE1 HIS 68 HE1 HIS 68 1.974 -4.459 3.248 483 HE2 HIS 68 HE2 HIS 68 1.634 -2.027 2.727 484 HA PRO 69 HA PRO 69 -4.452 -5.781 7.222 485 1HB PRO 69 HB2 PRO 69 -2.937 -7.763 5.695 486 2HB PRO 69 HB1 PRO 69 -4.619 -7.263 5.513 487 1HG PRO 69 HG2 PRO 69 -2.699 -6.660 3.700 488 2HG PRO 69 HG1 PRO 69 -4.107 -5.625 3.997 489 1HD PRO 69 HD2 PRO 69 -1.288 -5.317 4.944 490 2HD PRO 69 HD1 PRO 69 -2.439 -4.081 4.397 491 H LYS 70 HN LYS 70 -1.285 -7.291 6.579 492 HA LYS 70 HA LYS 70 -1.304 -8.684 9.052 493 1HB LYS 70 HB2 LYS 70 -0.161 -9.709 7.260 494 2HB LYS 70 HB1 LYS 70 0.764 -8.259 6.912 495 1HG LYS 70 HG2 LYS 70 1.360 -9.015 9.570 496 2HG LYS 70 HG1 LYS 70 1.444 -10.465 8.570 497 1HD LYS 70 HD2 LYS 70 3.599 -9.362 8.657 498 2HD LYS 70 HD1 LYS 70 2.948 -9.304 7.026 499 1HE LYS 70 HE2 LYS 70 2.407 -7.019 8.849 500 2HE LYS 70 HE1 LYS 70 4.018 -7.180 8.154 501 1HZ LYS 70 HZ1 LYS 70 2.368 -7.562 6.031 502 2HZ LYS 70 HZ2 LYS 70 3.177 -6.125 6.405 503 3HZ LYS 70 HZ3 LYS 70 1.579 -6.349 6.907 504 H GLN 71 HN GLN 71 0.042 -5.656 7.943 505 HA GLN 71 HA GLN 71 1.462 -5.275 10.471 506 1HB GLN 71 HB2 GLN 71 1.641 -4.105 7.760 507 2HB GLN 71 HB1 GLN 71 1.955 -3.003 9.092 508 1HG GLN 71 HG2 GLN 71 3.391 -5.330 9.676 509 2HG GLN 71 HG1 GLN 71 3.638 -5.026 7.959 510 1HE2 GLN 71 HE21 GLN 71 4.738 -3.203 7.307 511 2HE2 GLN 71 HE22 GLN 71 5.635 -2.211 8.401 512 H ARG 72 HN ARG 72 0.660 -4.082 12.069 513 HA ARG 72 HA ARG 72 -1.042 -1.828 11.605 514 1HB ARG 72 HB2 ARG 72 -2.603 -3.370 13.411 515 2HB ARG 72 HB1 ARG 72 -3.055 -2.761 11.826 516 1HG ARG 72 HG2 ARG 72 -2.439 -4.759 10.757 517 2HG ARG 72 HG1 ARG 72 -1.535 -5.329 12.158 518 1HD ARG 72 HD2 ARG 72 -4.371 -5.578 11.527 519 2HD ARG 72 HD1 ARG 72 -3.366 -6.528 12.615 520 HE ARG 72 HE ARG 72 -3.940 -5.106 14.370 521 1HH1 ARG 72 HH11 ARG 72 -5.360 -4.018 11.367 522 2HH1 ARG 72 HH12 ARG 72 -6.492 -2.965 12.143 523 1HH2 ARG 72 HH21 ARG 72 -5.430 -3.718 15.385 524 2HH2 ARG 72 HH22 ARG 72 -6.531 -2.793 14.420 525 HA PRO 73 HA PRO 73 -0.193 -2.144 16.293 526 1HB PRO 73 HB2 PRO 73 0.607 -4.431 17.421 527 2HB PRO 73 HB1 PRO 73 -1.093 -4.137 17.047 528 1HG PRO 73 HG2 PRO 73 0.933 -5.701 15.486 529 2HG PRO 73 HG1 PRO 73 -0.735 -6.141 15.903 530 1HD PRO 73 HD2 PRO 73 -0.035 -5.115 13.483 531 2HD PRO 73 HD1 PRO 73 -1.627 -4.855 14.221 532 H GLY 74 HN GLY 74 2.123 -4.529 16.666 533 1HA GLY 74 HA2 GLY 74 4.261 -2.790 16.998 534 2HA GLY 74 HA1 GLY 74 4.414 -4.519 16.729 535 1H GLU 180 HT1 GLU 180 19.601 18.352 -5.127 536 2H GLU 180 HT2 GLU 180 20.872 17.719 -6.090 537 3H GLU 180 HT3 GLU 180 21.233 18.671 -4.709 538 HA GLU 180 HA GLU 180 21.539 16.252 -4.453 539 1HB GLU 180 HB2 GLU 180 20.725 18.224 -2.738 540 2HB GLU 180 HB1 GLU 180 19.485 17.005 -2.481 541 1HG GLU 180 HG2 GLU 180 21.079 16.486 -0.893 542 2HG GLU 180 HG1 GLU 180 21.446 15.369 -2.205 543 H GLU 181 HN GLU 181 19.688 14.817 -2.943 544 HA GLU 181 HA GLU 181 17.487 14.275 -4.808 545 1HB GLU 181 HB2 GLU 181 19.690 12.723 -4.826 546 2HB GLU 181 HB1 GLU 181 18.785 11.923 -3.549 547 1HG GLU 181 HG2 GLU 181 18.209 10.792 -5.511 548 2HG GLU 181 HG1 GLU 181 16.840 11.850 -5.174 549 H ARG 182 HN ARG 182 16.844 11.828 -3.190 550 HA ARG 182 HA ARG 182 15.589 11.231 -1.400 551 1HB ARG 182 HB2 ARG 182 17.256 13.418 -0.264 552 2HB ARG 182 HB1 ARG 182 15.860 12.890 0.664 553 1HG ARG 182 HG2 ARG 182 17.655 11.629 1.475 554 2HG ARG 182 HG1 ARG 182 16.774 10.535 0.407 555 1HD ARG 182 HD2 ARG 182 18.436 11.411 -1.399 556 2HD ARG 182 HD1 ARG 182 19.411 11.879 -0.007 557 HE ARG 182 HE ARG 182 18.815 9.297 0.511 558 1HH1 ARG 182 HH11 ARG 182 20.152 10.909 -2.280 559 2HH1 ARG 182 HH12 ARG 182 21.093 9.543 -2.775 560 1HH2 ARG 182 HH21 ARG 182 20.053 7.499 -0.137 561 2HH2 ARG 182 HH22 ARG 182 21.036 7.606 -1.560 562 H GLY 183 HN GLY 183 13.990 12.116 -3.128 563 1HA GLY 183 HA2 GLY 183 12.205 13.963 -1.699 564 2HA GLY 183 HA1 GLY 183 12.615 14.302 -3.372 565 H TRP 184 HN TRP 184 12.549 11.639 -4.360 566 HA TRP 184 HA TRP 184 9.827 11.413 -4.971 567 1HB TRP 184 HB2 TRP 184 10.516 9.078 -5.804 568 2HB TRP 184 HB1 TRP 184 11.211 10.494 -6.573 569 HD1 TRP 184 HD1 TRP 184 13.075 8.694 -7.391 570 HE1 TRP 184 HE1 TRP 184 15.278 7.983 -6.284 571 HE3 TRP 184 HE3 TRP 184 12.129 10.174 -2.553 572 HZ2 TRP 184 HZ2 TRP 184 16.465 8.047 -3.745 573 HZ3 TRP 184 HZ3 TRP 184 13.863 9.802 -0.868 574 HH2 TRP 184 HH2 TRP 184 15.986 8.755 -1.448 575 H LYS 185 HN LYS 185 8.654 9.238 -4.794 576 HA LYS 185 HA LYS 185 8.998 8.026 -2.177 577 1HB LYS 185 HB2 LYS 185 7.379 9.221 -1.245 578 2HB LYS 185 HB1 LYS 185 6.997 9.989 -2.770 579 1HG LYS 185 HG2 LYS 185 5.654 7.796 -3.204 580 2HG LYS 185 HG1 LYS 185 5.716 7.654 -1.447 581 1HD LYS 185 HD2 LYS 185 4.351 9.380 -1.132 582 2HD LYS 185 HD1 LYS 185 5.020 10.292 -2.482 583 1HE LYS 185 HE2 LYS 185 3.105 9.821 -3.541 584 2HE LYS 185 HE1 LYS 185 3.766 8.199 -3.735 585 1HZ LYS 185 HZ1 LYS 185 2.710 7.698 -1.516 586 2HZ LYS 185 HZ2 LYS 185 1.643 7.926 -2.809 587 3HZ LYS 185 HZ3 LYS 185 1.871 9.158 -1.674 588 H HIS 186 HN HIS 186 9.235 5.970 -2.632 589 HA HIS 186 HA HIS 186 7.201 4.602 -4.227 590 1HB HIS 186 HB2 HIS 186 9.424 5.192 -5.526 591 2HB HIS 186 HB1 HIS 186 10.056 3.805 -4.651 592 HD1 HIS 186 HD1 HIS 186 10.224 3.006 -7.301 593 HD2 HIS 186 HD2 HIS 186 6.473 3.058 -5.513 594 HE1 HIS 186 HE1 HIS 186 8.776 1.527 -8.731 595 HE2 HIS 186 HE2 HIS 186 6.531 1.514 -7.587 596 H TRP 187 HN TRP 187 6.661 2.580 -3.411 597 HA TRP 187 HA TRP 187 8.378 1.471 -1.279 598 1HB TRP 187 HB2 TRP 187 5.674 2.499 -0.994 599 2HB TRP 187 HB1 TRP 187 5.802 0.840 -0.460 600 HD1 TRP 187 HD1 TRP 187 6.581 4.340 0.576 601 HE1 TRP 187 HE1 TRP 187 7.685 4.382 2.859 602 HE3 TRP 187 HE3 TRP 187 7.460 -0.657 1.128 603 HZ2 TRP 187 HZ2 TRP 187 8.780 2.540 4.694 604 HZ3 TRP 187 HZ3 TRP 187 8.539 -1.427 3.173 605 HH2 TRP 187 HH2 TRP 187 9.182 0.139 4.935 606 H VAL 188 HN VAL 188 7.214 -0.617 -0.530 607 HA VAL 188 HA VAL 188 5.948 -2.264 -2.462 608 HB VAL 188 HB VAL 188 8.850 -2.827 -1.783 609 1HG1 VAL 188 HG11 VAL 188 8.679 -4.871 -2.969 610 2HG1 VAL 188 HG12 VAL 188 7.052 -4.486 -3.528 611 3HG1 VAL 188 HG13 VAL 188 7.339 -4.834 -1.823 612 1HG2 VAL 188 HG21 VAL 188 9.078 -2.805 -4.309 613 2HG2 VAL 188 HG22 VAL 188 8.841 -1.245 -3.522 614 3HG2 VAL 188 HG23 VAL 188 7.493 -2.034 -4.341 615 H TYR 189 HN TYR 189 4.497 -2.453 -0.647 616 HA TYR 189 HA TYR 189 5.646 -3.703 1.738 617 1HB TYR 189 HB2 TYR 189 3.219 -2.104 1.166 618 2HB TYR 189 HB1 TYR 189 3.098 -3.331 2.414 619 HD1 TYR 189 HD1 TYR 189 3.118 -0.123 2.380 620 HD2 TYR 189 HD2 TYR 189 5.838 -3.146 3.595 621 HE1 TYR 189 HE1 TYR 189 4.087 1.430 3.975 622 HE2 TYR 189 HE2 TYR 189 6.842 -1.590 5.212 623 HH TYR 189 HH TYR 189 6.274 1.728 5.165 624 H TYR 190 HN TYR 190 5.364 -5.758 2.241 625 HA TYR 190 HA TYR 190 3.512 -7.304 0.558 626 1HB TYR 190 HB2 TYR 190 6.178 -7.977 1.771 627 2HB TYR 190 HB1 TYR 190 5.046 -9.255 1.345 628 HD1 TYR 190 HD1 TYR 190 6.415 -10.252 -0.355 629 HD2 TYR 190 HD2 TYR 190 5.389 -6.140 -0.580 630 HE1 TYR 190 HE1 TYR 190 7.202 -10.186 -2.681 631 HE2 TYR 190 HE2 TYR 190 6.158 -6.055 -2.886 632 HH TYR 190 HH TYR 190 8.131 -8.102 -4.249 633 H THR 191 HN THR 191 2.133 -8.795 1.490 634 HA THR 191 HA THR 191 1.688 -8.392 4.345 635 HB THR 191 HB THR 191 -0.454 -8.936 4.065 636 HG1 THR 191 HG1 THR 191 -0.690 -10.966 3.672 637 1HG2 THR 191 HG21 THR 191 -0.695 -7.451 2.370 638 2HG2 THR 191 HG22 THR 191 -1.211 -8.926 1.554 639 3HG2 THR 191 HG23 THR 191 0.417 -8.309 1.308 640 H CYS 192 HN CYS 192 1.942 -9.895 5.849 641 HA CYS 192 HA CYS 192 1.926 -12.510 6.079 642 1HB CYS 192 HB2 CYS 192 3.077 -13.484 4.356 643 2HB CYS 192 HB1 CYS 192 3.907 -11.988 3.949 644 H CYS 193 HN CYS 193 4.599 -10.312 5.835 645 HA CYS 193 HA CYS 193 5.493 -11.139 8.515 646 1HB CYS 193 HB2 CYS 193 7.652 -10.320 6.812 647 2HB CYS 193 HB1 CYS 193 7.358 -11.895 7.546 648 HA PRO 194 HA PRO 194 5.038 -6.821 9.608 649 1HB PRO 194 HB2 PRO 194 6.673 -7.937 11.839 650 2HB PRO 194 HB1 PRO 194 5.238 -6.907 11.912 651 1HG PRO 194 HG2 PRO 194 5.006 -9.463 12.461 652 2HG PRO 194 HG1 PRO 194 3.802 -8.694 11.405 653 1HD PRO 194 HD2 PRO 194 6.133 -10.429 10.669 654 2HD PRO 194 HD1 PRO 194 4.473 -10.443 10.032 655 H ASP 195 HN ASP 195 8.082 -8.611 10.025 656 HA ASP 195 HA ASP 195 9.614 -6.158 9.683 657 1HB ASP 195 HB2 ASP 195 10.633 -8.960 10.183 658 2HB ASP 195 HB1 ASP 195 11.539 -7.459 10.346 659 H THR 196 HN THR 196 8.218 -6.850 7.389 660 HA THR 196 HA THR 196 10.445 -7.510 5.604 661 HB THR 196 HB THR 196 8.733 -9.404 5.967 662 HG1 THR 196 HG1 THR 196 9.626 -10.081 4.226 663 1HG2 THR 196 HG21 THR 196 6.637 -9.218 5.300 664 2HG2 THR 196 HG22 THR 196 7.129 -8.550 3.745 665 3HG2 THR 196 HG23 THR 196 6.913 -7.485 5.132 666 HA PRO 197 HA PRO 197 8.023 -3.750 4.191 667 1HB PRO 197 HB2 PRO 197 9.227 -1.713 5.378 668 2HB PRO 197 HB1 PRO 197 8.072 -2.700 6.283 669 1HG PRO 197 HG2 PRO 197 11.065 -2.769 6.329 670 2HG PRO 197 HG1 PRO 197 9.923 -2.873 7.681 671 1HD PRO 197 HD2 PRO 197 11.140 -5.045 6.450 672 2HD PRO 197 HD1 PRO 197 9.659 -5.115 7.425 673 H TYR 198 HN TYR 198 8.745 -3.687 2.098 674 HA TYR 198 HA TYR 198 11.591 -3.139 1.643 675 1HB TYR 198 HB2 TYR 198 9.709 -3.769 -0.593 676 2HB TYR 198 HB1 TYR 198 11.407 -4.171 -0.423 677 HD1 TYR 198 HD1 TYR 198 9.108 -5.939 -1.316 678 HD2 TYR 198 HD2 TYR 198 10.970 -5.367 2.457 679 HE1 TYR 198 HE1 TYR 198 8.459 -8.188 -0.667 680 HE2 TYR 198 HE2 TYR 198 10.315 -7.636 3.130 681 HH TYR 198 HH TYR 198 9.684 -9.742 2.140 682 H LEU 199 HN LEU 199 12.123 -1.096 1.409 683 HA LEU 199 HA LEU 199 10.139 0.847 0.484 684 1HB LEU 199 HB2 LEU 199 11.572 1.030 2.627 685 2HB LEU 199 HB1 LEU 199 12.880 1.463 1.549 686 HG LEU 199 HG LEU 199 10.334 2.982 2.059 687 1HD1 LEU 199 HD11 LEU 199 13.171 3.222 2.826 688 2HD1 LEU 199 HD12 LEU 199 11.718 3.741 3.677 689 3HD1 LEU 199 HD13 LEU 199 12.366 4.719 2.360 690 1HD2 LEU 199 HD21 LEU 199 12.297 3.207 -0.178 691 2HD2 LEU 199 HD22 LEU 199 11.526 4.656 0.464 692 3HD2 LEU 199 HD23 LEU 199 10.542 3.357 -0.204 693 H ASP 200 HN ASP 200 10.286 1.903 -1.406 694 HA ASP 200 HA ASP 200 12.644 1.363 -3.074 695 1HB ASP 200 HB2 ASP 200 10.537 0.441 -3.949 696 2HB ASP 200 HB1 ASP 200 9.835 2.053 -3.955 697 H ILE 201 HN ILE 201 13.961 2.951 -3.405 698 HA ILE 201 HA ILE 201 13.142 5.585 -4.115 699 HB ILE 201 HB ILE 201 14.515 6.629 -2.190 700 1HG1 ILE 201 HG12 ILE 201 14.168 5.309 -0.036 701 2HG1 ILE 201 HG11 ILE 201 13.850 3.914 -1.062 702 1HG2 ILE 201 HG21 ILE 201 11.952 6.616 -2.649 703 2HG2 ILE 201 HG22 ILE 201 12.568 7.180 -1.096 704 3HG2 ILE 201 HG23 ILE 201 11.901 5.554 -1.242 705 1HD1 ILE 201 HD11 ILE 201 16.042 3.915 -1.910 706 2HD1 ILE 201 HD12 ILE 201 16.191 4.141 -0.168 707 3HD1 ILE 201 HD13 ILE 201 16.376 5.517 -1.256 708 H THR 202 HN THR 202 14.734 3.537 -5.260 709 HA THR 202 HA THR 202 17.110 5.049 -5.833 710 HB THR 202 HB THR 202 17.473 2.279 -4.690 711 HG1 THR 202 HG1 THR 202 17.680 3.134 -2.787 712 1HG2 THR 202 HG21 THR 202 19.516 4.436 -5.126 713 2HG2 THR 202 HG22 THR 202 19.226 3.106 -6.248 714 3HG2 THR 202 HG23 THR 202 19.796 2.772 -4.612 715 H GLU 203 HN GLU 203 15.178 4.545 -7.575 716 HA GLU 203 HA GLU 203 16.015 2.200 -9.135 717 1HB GLU 203 HB2 GLU 203 13.910 2.433 -10.343 718 2HB GLU 203 HB1 GLU 203 13.619 2.337 -8.612 719 1HG GLU 203 HG2 GLU 203 13.733 4.989 -8.869 720 2HG GLU 203 HG1 GLU 203 13.182 4.571 -10.492 721 H GLU 204 HN GLU 204 17.971 3.635 -9.569 722 HA GLU 204 HA GLU 204 17.459 5.583 -11.700 723 1HB GLU 204 HB2 GLU 204 19.750 6.327 -11.354 724 2HB GLU 204 HB1 GLU 204 18.883 6.307 -9.825 725 1HG GLU 204 HG2 GLU 204 19.966 3.846 -9.783 726 2HG GLU 204 HG1 GLU 204 21.183 4.709 -10.720 Start of MODEL 5 1 1H ILE 1 HT1 ILE 1 -10.753 14.587 2.193 2 2H ILE 1 HT2 ILE 1 -12.358 14.060 2.497 3 3H ILE 1 HT3 ILE 1 -11.454 13.365 1.215 4 HA ILE 1 HA ILE 1 -11.101 13.054 4.109 5 HB ILE 1 HB ILE 1 -11.143 10.922 1.994 6 1HG1 ILE 1 HG12 ILE 1 -13.499 12.146 3.451 7 2HG1 ILE 1 HG11 ILE 1 -13.233 12.115 1.711 8 1HG2 ILE 1 HG21 ILE 1 -11.450 11.018 4.973 9 2HG2 ILE 1 HG22 ILE 1 -10.330 10.065 4.001 10 3HG2 ILE 1 HG23 ILE 1 -12.042 9.646 4.038 11 1HD1 ILE 1 HD11 ILE 1 -13.296 9.487 3.021 12 2HD1 ILE 1 HD12 ILE 1 -14.020 10.025 1.504 13 3HD1 ILE 1 HD13 ILE 1 -14.812 10.390 3.037 14 H VAL 2 HN VAL 2 -9.359 11.618 4.696 15 HA VAL 2 HA VAL 2 -6.891 12.347 3.295 16 HB VAL 2 HB VAL 2 -7.302 11.119 6.035 17 1HG1 VAL 2 HG11 VAL 2 -4.919 11.940 6.356 18 2HG1 VAL 2 HG12 VAL 2 -4.853 12.147 4.606 19 3HG1 VAL 2 HG13 VAL 2 -5.125 10.547 5.295 20 1HG2 VAL 2 HG21 VAL 2 -6.324 13.900 5.708 21 2HG2 VAL 2 HG22 VAL 2 -7.327 13.189 6.972 22 3HG2 VAL 2 HG23 VAL 2 -8.037 13.606 5.413 23 H CYS 3 HN CYS 3 -5.183 10.571 3.207 24 HA CYS 3 HA CYS 3 -6.155 7.873 3.348 25 1HB CYS 3 HB2 CYS 3 -6.931 8.993 1.103 26 2HB CYS 3 HB1 CYS 3 -5.274 8.661 0.607 27 H HIS 4 HN HIS 4 -4.591 6.327 3.296 28 HA HIS 4 HA HIS 4 -1.853 7.254 3.622 29 1HB HIS 4 HB2 HIS 4 -3.184 4.562 3.965 30 2HB HIS 4 HB1 HIS 4 -1.449 4.790 4.115 31 HD1 HIS 4 HD1 HIS 4 -1.572 7.471 5.761 32 HD2 HIS 4 HD2 HIS 4 -3.785 4.053 6.573 33 HE1 HIS 4 HE1 HIS 4 -2.054 7.558 8.226 34 HE2 HIS 4 HE2 HIS 4 -3.463 5.518 8.680 35 H THR 5 HN THR 5 -0.212 5.565 2.669 36 HA THR 5 HA THR 5 -0.783 4.359 0.198 37 HB THR 5 HB THR 5 -0.949 6.406 -0.893 38 HG1 THR 5 HG1 THR 5 0.557 5.994 -2.268 39 1HG2 THR 5 HG21 THR 5 1.144 7.381 0.986 40 2HG2 THR 5 HG22 THR 5 -0.446 8.054 0.641 41 3HG2 THR 5 HG23 THR 5 0.854 8.205 -0.543 42 H THR 6 HN THR 6 1.138 3.495 -0.833 43 HA THR 6 HA THR 6 3.397 3.268 1.007 44 HB THR 6 HB THR 6 3.518 0.945 0.294 45 HG1 THR 6 HG1 THR 6 2.632 0.863 -1.683 46 1HG2 THR 6 HG21 THR 6 1.375 0.137 1.273 47 2HG2 THR 6 HG22 THR 6 0.851 1.820 1.314 48 3HG2 THR 6 HG23 THR 6 2.243 1.315 2.262 49 H ALA 7 HN ALA 7 4.805 4.658 -0.059 50 HA ALA 7 HA ALA 7 5.912 3.624 -2.496 51 1HB ALA 7 HB1 ALA 7 5.516 5.601 -3.864 52 2HB ALA 7 HB2 ALA 7 4.540 6.295 -2.567 53 3HB ALA 7 HB3 ALA 7 4.019 4.817 -3.370 54 H THR 8 HN THR 8 6.000 6.559 -0.368 55 HA THR 8 HA THR 8 8.680 7.182 -1.105 56 HB THR 8 HB THR 8 7.636 9.035 -0.232 57 HG1 THR 8 HG1 THR 8 8.863 9.631 1.391 58 1HG2 THR 8 HG21 THR 8 5.663 8.147 0.706 59 2HG2 THR 8 HG22 THR 8 6.467 9.063 1.981 60 3HG2 THR 8 HG23 THR 8 6.561 7.301 1.966 61 H SER 9 HN SER 9 9.623 7.564 1.785 62 HA SER 9 HA SER 9 11.131 5.163 1.888 63 1HB SER 9 HB2 SER 9 10.954 7.634 3.550 64 2HB SER 9 HB1 SER 9 11.625 6.193 4.315 65 HG SER 9 HG SER 9 13.004 7.786 2.976 66 HA PRO 10 HA PRO 10 8.059 3.797 5.163 67 1HB PRO 10 HB2 PRO 10 6.851 5.532 6.767 68 2HB PRO 10 HB1 PRO 10 8.605 5.326 6.880 69 1HG PRO 10 HG2 PRO 10 7.052 7.586 5.799 70 2HG PRO 10 HG1 PRO 10 8.722 7.553 6.388 71 1HD PRO 10 HD2 PRO 10 7.732 7.317 3.653 72 2HD PRO 10 HD1 PRO 10 9.399 7.534 4.216 73 H ILE 11 HN ILE 11 5.509 4.100 5.881 74 HA ILE 11 HA ILE 11 4.057 4.161 3.417 75 HB ILE 11 HB ILE 11 2.863 4.256 6.192 76 1HG1 ILE 11 HG12 ILE 11 2.843 1.636 4.966 77 2HG1 ILE 11 HG11 ILE 11 4.491 2.234 5.132 78 1HG2 ILE 11 HG21 ILE 11 1.332 4.765 4.345 79 2HG2 ILE 11 HG22 ILE 11 0.917 3.255 5.156 80 3HG2 ILE 11 HG23 ILE 11 1.742 3.221 3.598 81 1HD1 ILE 11 HD11 ILE 11 2.948 1.003 7.078 82 2HD1 ILE 11 HD12 ILE 11 2.979 2.708 7.534 83 3HD1 ILE 11 HD13 ILE 11 4.490 1.827 7.305 84 H SER 12 HN SER 12 3.080 5.901 2.442 85 HA SER 12 HA SER 12 3.296 8.465 3.832 86 1HB SER 12 HB2 SER 12 2.584 9.186 1.347 87 2HB SER 12 HB1 SER 12 4.252 8.822 1.777 88 HG SER 12 HG SER 12 3.804 7.636 -0.021 89 H ALA 13 HN ALA 13 1.506 10.079 2.987 90 HA ALA 13 HA ALA 13 -1.118 8.942 2.727 91 1HB ALA 13 HB1 ALA 13 -0.971 10.635 5.137 92 2HB ALA 13 HB2 ALA 13 -0.279 9.019 5.278 93 3HB ALA 13 HB3 ALA 13 -1.966 9.217 4.803 94 H VAL 14 HN VAL 14 -2.394 10.306 1.644 95 HA VAL 14 HA VAL 14 -1.881 13.186 1.798 96 HB VAL 14 HB VAL 14 -2.181 13.339 -0.699 97 1HG1 VAL 14 HG11 VAL 14 0.263 11.837 0.232 98 2HG1 VAL 14 HG12 VAL 14 0.006 13.572 0.411 99 3HG1 VAL 14 HG13 VAL 14 0.141 12.861 -1.198 100 1HG2 VAL 14 HG21 VAL 14 -2.134 11.501 -2.075 101 2HG2 VAL 14 HG22 VAL 14 -3.026 10.854 -0.697 102 3HG2 VAL 14 HG23 VAL 14 -1.309 10.494 -0.885 103 H THR 15 HN THR 15 -3.657 14.494 1.042 104 HA THR 15 HA THR 15 -6.221 13.194 1.518 105 HB THR 15 HB THR 15 -6.521 15.984 1.001 106 HG1 THR 15 HG1 THR 15 -4.381 16.319 1.440 107 1HG2 THR 15 HG21 THR 15 -6.666 14.315 3.484 108 2HG2 THR 15 HG22 THR 15 -7.987 14.991 2.530 109 3HG2 THR 15 HG23 THR 15 -6.960 16.055 3.492 110 H CYS 16 HN CYS 16 -7.617 12.705 -0.051 111 HA CYS 16 HA CYS 16 -6.952 13.435 -2.792 112 1HB CYS 16 HB2 CYS 16 -9.213 11.653 -1.881 113 2HB CYS 16 HB1 CYS 16 -8.444 11.699 -3.465 114 HA PRO 17 HA PRO 17 -9.909 16.826 -2.295 115 1HB PRO 17 HB2 PRO 17 -9.096 17.494 -5.039 116 2HB PRO 17 HB1 PRO 17 -9.000 18.463 -3.569 117 1HG PRO 17 HG2 PRO 17 -6.810 17.420 -4.740 118 2HG PRO 17 HG1 PRO 17 -6.941 17.623 -2.983 119 1HD PRO 17 HD2 PRO 17 -7.237 15.149 -4.636 120 2HD PRO 17 HD1 PRO 17 -6.482 15.362 -3.048 121 HA PRO 18 HA PRO 18 -12.272 15.730 -6.468 122 1HB PRO 18 HB2 PRO 18 -11.046 13.064 -6.955 123 2HB PRO 18 HB1 PRO 18 -11.566 14.293 -8.113 124 1HG PRO 18 HG2 PRO 18 -8.980 13.905 -7.608 125 2HG PRO 18 HG1 PRO 18 -9.626 15.536 -7.866 126 1HD PRO 18 HD2 PRO 18 -8.841 14.187 -5.320 127 2HD PRO 18 HD1 PRO 18 -8.649 15.881 -5.807 128 H GLY 19 HN GLY 19 -13.719 13.630 -6.985 129 1HA GLY 19 HA2 GLY 19 -15.040 13.027 -4.534 130 2HA GLY 19 HA1 GLY 19 -15.429 12.359 -6.114 131 H GLU 20 HN GLU 20 -12.399 11.596 -6.123 132 HA GLU 20 HA GLU 20 -12.841 8.932 -5.086 133 1HB GLU 20 HB2 GLU 20 -10.548 8.518 -6.036 134 2HB GLU 20 HB1 GLU 20 -11.745 9.051 -7.206 135 1HG GLU 20 HG2 GLU 20 -10.449 11.343 -6.144 136 2HG GLU 20 HG1 GLU 20 -9.219 10.173 -6.620 137 H ASN 21 HN ASN 21 -12.936 9.374 -2.836 138 HA ASN 21 HA ASN 21 -10.320 10.024 -1.634 139 1HB ASN 21 HB2 ASN 21 -12.821 10.336 -0.040 140 2HB ASN 21 HB1 ASN 21 -11.317 11.247 0.043 141 1HD2 ASN 21 HD21 ASN 21 -14.138 10.684 -1.986 142 2HD2 ASN 21 HD22 ASN 21 -14.221 12.286 -2.632 143 H LEU 22 HN LEU 22 -12.002 7.456 -2.402 144 HA LEU 22 HA LEU 22 -12.204 6.172 0.167 145 1HB LEU 22 HB2 LEU 22 -13.208 5.711 -2.474 146 2HB LEU 22 HB1 LEU 22 -12.412 4.258 -1.900 147 HG LEU 22 HG LEU 22 -13.832 4.631 0.247 148 1HD1 LEU 22 HD11 LEU 22 -16.127 5.582 -0.798 149 2HD1 LEU 22 HD12 LEU 22 -14.949 6.593 -1.636 150 3HD1 LEU 22 HD13 LEU 22 -14.984 6.556 0.127 151 1HD2 LEU 22 HD21 LEU 22 -15.698 3.361 -0.780 152 2HD2 LEU 22 HD22 LEU 22 -14.107 2.716 -1.184 153 3HD2 LEU 22 HD23 LEU 22 -14.995 3.677 -2.365 154 H CYS 23 HN CYS 23 -10.725 4.972 1.121 155 HA CYS 23 HA CYS 23 -8.175 4.529 -0.201 156 1HB CYS 23 HB2 CYS 23 -9.003 4.119 2.665 157 2HB CYS 23 HB1 CYS 23 -7.377 3.922 2.040 158 H TYR 24 HN TYR 24 -8.043 2.717 -1.365 159 HA TYR 24 HA TYR 24 -9.448 0.338 -0.414 160 1HB TYR 24 HB2 TYR 24 -9.175 -0.570 -2.620 161 2HB TYR 24 HB1 TYR 24 -9.796 1.070 -2.764 162 HD1 TYR 24 HD1 TYR 24 -6.868 -1.095 -3.254 163 HD2 TYR 24 HD2 TYR 24 -8.475 2.823 -3.741 164 HE1 TYR 24 HE1 TYR 24 -5.018 -0.535 -4.747 165 HE2 TYR 24 HE2 TYR 24 -6.621 3.387 -5.255 166 HH TYR 24 HH TYR 24 -3.833 1.682 -5.474 167 H ARG 25 HN ARG 25 -8.437 -1.620 -0.141 168 HA ARG 25 HA ARG 25 -5.544 -1.462 0.338 169 1HB ARG 25 HB2 ARG 25 -7.624 -2.272 2.012 170 2HB ARG 25 HB1 ARG 25 -6.871 -3.774 1.496 171 1HG ARG 25 HG2 ARG 25 -5.195 -1.519 2.512 172 2HG ARG 25 HG1 ARG 25 -6.026 -2.598 3.633 173 1HD ARG 25 HD2 ARG 25 -4.344 -4.033 3.415 174 2HD ARG 25 HD1 ARG 25 -4.808 -4.255 1.729 175 HE ARG 25 HE ARG 25 -2.942 -3.104 1.133 176 1HH1 ARG 25 HH11 ARG 25 -3.754 -2.225 4.409 177 2HH1 ARG 25 HH12 ARG 25 -2.346 -1.240 4.623 178 1HH2 ARG 25 HH21 ARG 25 -1.084 -1.806 1.422 179 2HH2 ARG 25 HH22 ARG 25 -0.829 -1.010 2.939 180 H LYS 26 HN LYS 26 -4.908 -1.964 -1.749 181 HA LYS 26 HA LYS 26 -5.836 -4.329 -3.092 182 1HB LYS 26 HB2 LYS 26 -5.224 -2.536 -4.497 183 2HB LYS 26 HB1 LYS 26 -3.719 -2.263 -3.637 184 1HG LYS 26 HG2 LYS 26 -2.785 -3.334 -5.343 185 2HG LYS 26 HG1 LYS 26 -3.371 -4.802 -4.565 186 1HD LYS 26 HD2 LYS 26 -5.007 -3.247 -6.551 187 2HD LYS 26 HD1 LYS 26 -3.906 -4.541 -7.027 188 1HE LYS 26 HE2 LYS 26 -5.127 -6.087 -5.548 189 2HE LYS 26 HE1 LYS 26 -6.249 -4.789 -5.144 190 1HZ LYS 26 HZ1 LYS 26 -5.815 -5.583 -7.951 191 2HZ LYS 26 HZ2 LYS 26 -7.142 -4.792 -7.264 192 3HZ LYS 26 HZ3 LYS 26 -6.897 -6.439 -6.970 193 H MET 27 HN MET 27 -5.074 -6.331 -2.897 194 HA MET 27 HA MET 27 -2.330 -6.756 -2.014 195 1HB MET 27 HB2 MET 27 -4.768 -7.663 -0.511 196 2HB MET 27 HB1 MET 27 -3.249 -8.540 -0.388 197 1HG MET 27 HG2 MET 27 -2.177 -6.789 0.684 198 2HG MET 27 HG1 MET 27 -3.350 -5.598 0.124 199 1HE MET 27 HE1 MET 27 -3.310 -9.009 2.210 200 2HE MET 27 HE2 MET 27 -4.795 -8.939 1.260 201 3HE MET 27 HE3 MET 27 -4.868 -8.825 3.018 202 H TRP 28 HN TRP 28 -1.399 -8.504 -2.899 203 HA TRP 28 HA TRP 28 -3.039 -10.670 -3.929 204 1HB TRP 28 HB2 TRP 28 -2.214 -10.609 -6.193 205 2HB TRP 28 HB1 TRP 28 -2.969 -9.073 -5.809 206 HD1 TRP 28 HD1 TRP 28 0.526 -10.606 -6.299 207 HE1 TRP 28 HE1 TRP 28 2.130 -8.731 -7.025 208 HE3 TRP 28 HE3 TRP 28 -2.631 -6.630 -5.830 209 HZ2 TRP 28 HZ2 TRP 28 2.057 -5.924 -7.343 210 HZ3 TRP 28 HZ3 TRP 28 -1.787 -4.385 -6.374 211 HH2 TRP 28 HH2 TRP 28 0.504 -4.037 -7.107 212 H CYS 29 HN CYS 29 -0.800 -11.759 -5.551 213 HA CYS 29 HA CYS 29 0.741 -12.706 -3.249 214 1HB CYS 29 HB2 CYS 29 0.672 -14.774 -4.115 215 2HB CYS 29 HB1 CYS 29 -0.607 -14.136 -5.134 216 H ASP 30 HN ASP 30 2.722 -12.099 -2.928 217 HA ASP 30 HA ASP 30 4.470 -11.505 -5.199 218 1HB ASP 30 HB2 ASP 30 3.411 -9.527 -3.485 219 2HB ASP 30 HB1 ASP 30 5.097 -9.718 -3.037 220 H ALA 31 HN ALA 31 5.214 -13.628 -4.640 221 HA ALA 31 HA ALA 31 7.132 -14.725 -3.962 222 1HB ALA 31 HB1 ALA 31 8.672 -13.775 -2.677 223 2HB ALA 31 HB2 ALA 31 7.509 -13.380 -1.416 224 3HB ALA 31 HB3 ALA 31 7.676 -12.330 -2.820 225 H PHE 32 HN PHE 32 4.367 -14.019 -1.896 226 HA PHE 32 HA PHE 32 4.917 -16.148 -0.064 227 1HB PHE 32 HB2 PHE 32 3.073 -14.207 0.010 228 2HB PHE 32 HB1 PHE 32 2.084 -15.477 -0.683 229 HD1 PHE 32 HD1 PHE 32 4.818 -15.775 1.795 230 HD2 PHE 32 HD2 PHE 32 0.634 -16.042 1.063 231 HE1 PHE 32 HE1 PHE 32 4.487 -16.728 4.044 232 HE2 PHE 32 HE2 PHE 32 0.295 -16.991 3.308 233 HZ PHE 32 HZ PHE 32 2.223 -17.335 4.801 234 H CYS 33 HN CYS 33 3.432 -15.761 -3.152 235 HA CYS 33 HA CYS 33 2.530 -18.470 -3.374 236 1HB CYS 33 HB2 CYS 33 2.385 -17.805 -5.870 237 2HB CYS 33 HB1 CYS 33 1.329 -16.946 -4.751 238 H SER 34 HN SER 34 5.312 -16.536 -4.082 239 HA SER 34 HA SER 34 6.750 -18.734 -5.330 240 1HB SER 34 HB2 SER 34 6.865 -15.904 -5.529 241 2HB SER 34 HB1 SER 34 8.412 -16.442 -4.875 242 HG SER 34 HG SER 34 8.415 -17.992 -6.658 243 H SER 35 HN SER 35 7.912 -16.338 -2.951 244 HA SER 35 HA SER 35 8.665 -18.520 -1.153 245 1HB SER 35 HB2 SER 35 10.943 -17.145 -0.956 246 2HB SER 35 HB1 SER 35 10.713 -18.443 -2.127 247 HG SER 35 HG SER 35 10.154 -15.730 -2.713 248 H ARG 36 HN ARG 36 8.862 -14.926 -1.417 249 HA ARG 36 HA ARG 36 9.081 -14.622 1.397 250 1HB ARG 36 HB2 ARG 36 8.325 -12.295 -0.321 251 2HB ARG 36 HB1 ARG 36 9.353 -12.355 1.094 252 1HG ARG 36 HG2 ARG 36 10.775 -13.896 -0.603 253 2HG ARG 36 HG1 ARG 36 9.997 -12.788 -1.736 254 1HD ARG 36 HD2 ARG 36 11.508 -11.239 -1.223 255 2HD ARG 36 HD1 ARG 36 10.897 -11.223 0.429 256 HE ARG 36 HE ARG 36 12.587 -13.363 0.359 257 1HH1 ARG 36 HH11 ARG 36 12.908 -9.969 -0.390 258 2HH1 ARG 36 HH12 ARG 36 14.580 -9.901 0.056 259 1HH2 ARG 36 HH21 ARG 36 14.786 -13.274 0.945 260 2HH2 ARG 36 HH22 ARG 36 15.646 -11.777 0.812 261 H GLY 37 HN GLY 37 6.605 -12.573 -0.186 262 1HA GLY 37 HA2 GLY 37 4.542 -13.889 1.413 263 2HA GLY 37 HA1 GLY 37 4.957 -12.252 1.872 264 H LYS 38 HN LYS 38 2.711 -11.750 1.464 265 HA LYS 38 HA LYS 38 1.815 -11.877 -1.300 266 1HB LYS 38 HB2 LYS 38 0.559 -11.620 1.311 267 2HB LYS 38 HB1 LYS 38 -0.096 -10.473 0.152 268 1HG LYS 38 HG2 LYS 38 -1.463 -12.180 -0.354 269 2HG LYS 38 HG1 LYS 38 -0.102 -12.708 -1.346 270 1HD LYS 38 HD2 LYS 38 0.575 -14.299 0.216 271 2HD LYS 38 HD1 LYS 38 -0.340 -13.544 1.522 272 1HE LYS 38 HE2 LYS 38 -2.301 -14.149 -0.287 273 2HE LYS 38 HE1 LYS 38 -1.184 -15.498 -0.487 274 1HZ LYS 38 HZ1 LYS 38 -1.267 -15.738 1.989 275 2HZ LYS 38 HZ2 LYS 38 -2.710 -16.106 1.187 276 3HZ LYS 38 HZ3 LYS 38 -2.546 -14.631 1.998 277 H VAL 39 HN VAL 39 0.486 -9.765 -1.937 278 HA VAL 39 HA VAL 39 2.417 -7.563 -1.811 279 HB VAL 39 HB VAL 39 0.366 -8.366 -3.813 280 1HG1 VAL 39 HG11 VAL 39 -0.569 -6.265 -3.307 281 2HG1 VAL 39 HG12 VAL 39 0.429 -6.008 -4.729 282 3HG1 VAL 39 HG13 VAL 39 1.015 -5.509 -3.152 283 1HG2 VAL 39 HG21 VAL 39 2.339 -6.966 -5.080 284 2HG2 VAL 39 HG22 VAL 39 2.349 -8.708 -4.815 285 3HG2 VAL 39 HG23 VAL 39 3.201 -7.640 -3.701 286 H VAL 40 HN VAL 40 1.926 -5.585 -1.201 287 HA VAL 40 HA VAL 40 -0.739 -5.005 -0.157 288 HB VAL 40 HB VAL 40 1.569 -3.916 1.384 289 1HG1 VAL 40 HG11 VAL 40 -1.156 -3.741 1.558 290 2HG1 VAL 40 HG12 VAL 40 -0.014 -3.336 2.839 291 3HG1 VAL 40 HG13 VAL 40 -0.763 -4.931 2.797 292 1HG2 VAL 40 HG21 VAL 40 0.652 -6.284 2.691 293 2HG2 VAL 40 HG22 VAL 40 2.288 -5.824 2.252 294 3HG2 VAL 40 HG23 VAL 40 1.288 -6.704 1.103 295 H GLU 41 HN GLU 41 -1.388 -3.475 -1.424 296 HA GLU 41 HA GLU 41 0.379 -1.221 -2.104 297 1HB GLU 41 HB2 GLU 41 -0.055 -2.586 -4.067 298 2HB GLU 41 HB1 GLU 41 -1.781 -2.579 -3.735 299 1HG GLU 41 HG2 GLU 41 -1.053 -1.093 -5.584 300 2HG GLU 41 HG1 GLU 41 -1.971 -0.292 -4.306 301 H LEU 42 HN LEU 42 -0.307 0.651 -1.270 302 HA LEU 42 HA LEU 42 -3.064 0.883 -0.308 303 1HB LEU 42 HB2 LEU 42 -0.548 2.456 0.208 304 2HB LEU 42 HB1 LEU 42 -2.122 3.037 0.712 305 HG LEU 42 HG LEU 42 -0.664 0.589 1.695 306 1HD1 LEU 42 HD11 LEU 42 -0.371 3.069 2.558 307 2HD1 LEU 42 HD12 LEU 42 -0.388 1.690 3.659 308 3HD1 LEU 42 HD13 LEU 42 -1.841 2.670 3.448 309 1HD2 LEU 42 HD21 LEU 42 -2.911 -0.129 1.463 310 2HD2 LEU 42 HD22 LEU 42 -3.536 1.412 2.049 311 3HD2 LEU 42 HD23 LEU 42 -2.710 0.316 3.159 312 H GLY 43 HN GLY 43 -4.562 2.160 -1.323 313 1HA GLY 43 HA2 GLY 43 -3.554 4.295 -3.068 314 2HA GLY 43 HA1 GLY 43 -4.529 3.049 -3.812 315 H CYS 44 HN CYS 44 -5.367 5.508 -4.132 316 HA CYS 44 HA CYS 44 -7.764 5.683 -2.448 317 1HB CYS 44 HB2 CYS 44 -6.290 7.405 -1.593 318 2HB CYS 44 HB1 CYS 44 -5.942 7.975 -3.218 319 H ALA 45 HN ALA 45 -9.503 5.510 -3.752 320 HA ALA 45 HA ALA 45 -9.499 6.938 -6.288 321 1HB ALA 45 HB1 ALA 45 -10.090 3.990 -6.148 322 2HB ALA 45 HB2 ALA 45 -8.622 4.705 -6.813 323 3HB ALA 45 HB3 ALA 45 -10.179 5.012 -7.582 324 H ALA 46 HN ALA 46 -11.721 6.496 -7.411 325 HA ALA 46 HA ALA 46 -13.803 6.834 -5.367 326 1HB ALA 46 HB1 ALA 46 -13.297 8.071 -7.992 327 2HB ALA 46 HB2 ALA 46 -14.145 8.710 -6.583 328 3HB ALA 46 HB3 ALA 46 -14.975 7.619 -7.692 329 H THR 47 HN THR 47 -12.672 5.026 -8.075 330 HA THR 47 HA THR 47 -15.086 3.444 -8.265 331 HB THR 47 HB THR 47 -13.894 4.112 -10.331 332 HG1 THR 47 HG1 THR 47 -14.003 1.356 -9.711 333 1HG2 THR 47 HG21 THR 47 -11.685 4.065 -10.375 334 2HG2 THR 47 HG22 THR 47 -11.788 2.304 -10.448 335 3HG2 THR 47 HG23 THR 47 -11.623 3.115 -8.889 336 H CYS 48 HN CYS 48 -14.412 3.042 -5.872 337 HA CYS 48 HA CYS 48 -12.414 1.566 -4.896 338 1HB CYS 48 HB2 CYS 48 -13.791 1.701 -3.143 339 2HB CYS 48 HB1 CYS 48 -15.174 1.973 -4.195 340 HA PRO 49 HA PRO 49 -14.621 -2.632 -6.399 341 1HB PRO 49 HB2 PRO 49 -15.511 -1.451 -8.995 342 2HB PRO 49 HB1 PRO 49 -16.245 -2.744 -8.038 343 1HG PRO 49 HG2 PRO 49 -17.295 -0.305 -8.020 344 2HG PRO 49 HG1 PRO 49 -17.206 -1.261 -6.528 345 1HD PRO 49 HD2 PRO 49 -15.545 1.055 -7.400 346 2HD PRO 49 HD1 PRO 49 -16.085 0.604 -5.771 347 H SER 50 HN SER 50 -12.205 -2.541 -6.368 348 HA SER 50 HA SER 50 -10.848 -2.100 -8.871 349 1HB SER 50 HB2 SER 50 -9.534 -3.509 -6.592 350 2HB SER 50 HB1 SER 50 -8.882 -2.288 -7.681 351 HG SER 50 HG SER 50 -9.353 -0.890 -6.203 352 H LYS 51 HN LYS 51 -8.977 -4.200 -8.789 353 HA LYS 51 HA LYS 51 -10.630 -6.272 -9.957 354 1HB LYS 51 HB2 LYS 51 -8.191 -7.206 -10.483 355 2HB LYS 51 HB1 LYS 51 -8.966 -5.977 -11.470 356 1HG LYS 51 HG2 LYS 51 -7.297 -5.088 -9.182 357 2HG LYS 51 HG1 LYS 51 -6.491 -5.716 -10.618 358 1HD LYS 51 HD2 LYS 51 -8.030 -4.095 -11.909 359 2HD LYS 51 HD1 LYS 51 -8.262 -3.313 -10.345 360 1HE LYS 51 HE2 LYS 51 -6.489 -2.147 -11.346 361 2HE LYS 51 HE1 LYS 51 -5.723 -3.234 -10.188 362 1HZ LYS 51 HZ1 LYS 51 -5.305 -4.780 -12.039 363 2HZ LYS 51 HZ2 LYS 51 -4.529 -3.292 -12.249 364 3HZ LYS 51 HZ3 LYS 51 -5.935 -3.641 -13.121 365 H LYS 52 HN LYS 52 -11.515 -7.197 -8.134 366 HA LYS 52 HA LYS 52 -9.730 -8.521 -6.265 367 1HB LYS 52 HB2 LYS 52 -11.910 -7.294 -5.634 368 2HB LYS 52 HB1 LYS 52 -12.720 -8.745 -6.210 369 1HG LYS 52 HG2 LYS 52 -10.518 -8.946 -4.198 370 2HG LYS 52 HG1 LYS 52 -12.155 -8.517 -3.697 371 1HD LYS 52 HD2 LYS 52 -12.819 -10.639 -3.834 372 2HD LYS 52 HD1 LYS 52 -12.199 -10.786 -5.477 373 1HE LYS 52 HE2 LYS 52 -10.251 -11.751 -4.798 374 2HE LYS 52 HE1 LYS 52 -10.183 -10.801 -3.315 375 1HZ LYS 52 HZ1 LYS 52 -11.724 -13.269 -3.836 376 2HZ LYS 52 HZ2 LYS 52 -12.095 -12.248 -2.539 377 3HZ LYS 52 HZ3 LYS 52 -10.574 -12.982 -2.629 378 HA PRO 53 HA PRO 53 -12.385 -11.982 -8.940 379 1HB PRO 53 HB2 PRO 53 -10.433 -11.151 -11.070 380 2HB PRO 53 HB1 PRO 53 -11.982 -11.991 -11.241 381 1HG PRO 53 HG2 PRO 53 -11.830 -9.375 -11.672 382 2HG PRO 53 HG1 PRO 53 -13.222 -10.069 -10.821 383 1HD PRO 53 HD2 PRO 53 -10.986 -8.445 -9.772 384 2HD PRO 53 HD1 PRO 53 -12.633 -8.632 -9.140 385 H TYR 54 HN TYR 54 -9.026 -10.942 -8.758 386 HA TYR 54 HA TYR 54 -8.273 -13.719 -8.130 387 1HB TYR 54 HB2 TYR 54 -7.358 -12.891 -10.325 388 2HB TYR 54 HB1 TYR 54 -6.471 -11.664 -9.425 389 HD1 TYR 54 HD1 TYR 54 -5.230 -12.886 -7.235 390 HD2 TYR 54 HD2 TYR 54 -6.022 -14.612 -11.045 391 HE1 TYR 54 HE1 TYR 54 -3.384 -14.471 -6.894 392 HE2 TYR 54 HE2 TYR 54 -4.178 -16.205 -10.710 393 HH TYR 54 HH TYR 54 -2.995 -17.197 -8.421 394 H GLU 55 HN GLU 55 -7.197 -10.344 -7.769 395 HA GLU 55 HA GLU 55 -5.809 -10.956 -5.311 396 1HB GLU 55 HB2 GLU 55 -6.322 -8.160 -6.227 397 2HB GLU 55 HB1 GLU 55 -4.903 -8.831 -5.442 398 1HG GLU 55 HG2 GLU 55 -3.987 -8.708 -7.472 399 2HG GLU 55 HG1 GLU 55 -4.890 -10.190 -7.786 400 H GLU 56 HN GLU 56 -6.176 -9.189 -3.509 401 HA GLU 56 HA GLU 56 -9.050 -9.229 -2.891 402 1HB GLU 56 HB2 GLU 56 -7.178 -10.412 -1.429 403 2HB GLU 56 HB1 GLU 56 -6.989 -8.790 -0.775 404 1HG GLU 56 HG2 GLU 56 -8.489 -9.830 0.667 405 2HG GLU 56 HG1 GLU 56 -9.505 -8.840 -0.379 406 H VAL 57 HN VAL 57 -9.861 -7.305 -3.480 407 HA VAL 57 HA VAL 57 -8.342 -4.886 -2.816 408 HB VAL 57 HB VAL 57 -9.246 -3.809 -4.599 409 1HG1 VAL 57 HG11 VAL 57 -9.776 -5.423 -6.501 410 2HG1 VAL 57 HG12 VAL 57 -9.528 -6.712 -5.322 411 3HG1 VAL 57 HG13 VAL 57 -8.212 -5.604 -5.700 412 1HG2 VAL 57 HG21 VAL 57 -11.755 -5.443 -4.253 413 2HG2 VAL 57 HG22 VAL 57 -11.510 -4.260 -5.538 414 3HG2 VAL 57 HG23 VAL 57 -11.517 -3.741 -3.852 415 H THR 58 HN THR 58 -8.916 -3.750 -1.089 416 HA THR 58 HA THR 58 -11.576 -4.206 0.068 417 HB THR 58 HB THR 58 -9.532 -2.674 1.576 418 HG1 THR 58 HG1 THR 58 -9.311 -5.476 1.219 419 1HG2 THR 58 HG21 THR 58 -11.819 -4.357 2.149 420 2HG2 THR 58 HG22 THR 58 -11.038 -3.125 3.140 421 3HG2 THR 58 HG23 THR 58 -10.406 -4.772 3.118 422 H CYS 59 HN CYS 59 -12.665 -2.328 1.082 423 HA CYS 59 HA CYS 59 -11.985 0.248 -0.138 424 1HB CYS 59 HB2 CYS 59 -14.744 -0.968 -0.270 425 2HB CYS 59 HB1 CYS 59 -14.281 0.624 -0.854 426 H CYS 60 HN CYS 60 -11.975 1.768 1.354 427 HA CYS 60 HA CYS 60 -14.022 1.779 3.438 428 1HB CYS 60 HB2 CYS 60 -12.420 2.169 5.211 429 2HB CYS 60 HB1 CYS 60 -12.035 0.654 4.400 430 H SER 61 HN SER 61 -14.774 3.789 3.904 431 HA SER 61 HA SER 61 -13.507 6.000 2.436 432 1HB SER 61 HB2 SER 61 -15.747 5.591 1.684 433 2HB SER 61 HB1 SER 61 -16.362 5.597 3.336 434 HG SER 61 HG SER 61 -16.689 7.639 2.977 435 H THR 62 HN THR 62 -12.059 5.902 4.517 436 HA THR 62 HA THR 62 -12.996 8.080 6.208 437 HB THR 62 HB THR 62 -13.324 6.830 8.019 438 HG1 THR 62 HG1 THR 62 -11.346 7.136 8.784 439 1HG2 THR 62 HG21 THR 62 -12.475 4.588 6.267 440 2HG2 THR 62 HG22 THR 62 -14.017 4.875 7.071 441 3HG2 THR 62 HG23 THR 62 -12.626 4.322 8.003 442 H ASP 63 HN ASP 63 -11.347 9.362 7.080 443 HA ASP 63 HA ASP 63 -9.152 9.924 5.644 444 1HB ASP 63 HB2 ASP 63 -9.528 10.136 8.630 445 2HB ASP 63 HB1 ASP 63 -8.136 10.821 7.797 446 H LYS 64 HN LYS 64 -7.636 8.645 4.923 447 HA LYS 64 HA LYS 64 -6.141 6.905 4.756 448 1HB LYS 64 HB2 LYS 64 -4.335 7.045 6.320 449 2HB LYS 64 HB1 LYS 64 -4.881 8.662 5.936 450 1HG LYS 64 HG2 LYS 64 -6.062 7.380 8.317 451 2HG LYS 64 HG1 LYS 64 -4.369 7.860 8.413 452 1HD LYS 64 HD2 LYS 64 -5.699 9.991 7.188 453 2HD LYS 64 HD1 LYS 64 -6.734 9.489 8.525 454 1HE LYS 64 HE2 LYS 64 -3.831 10.272 8.653 455 2HE LYS 64 HE1 LYS 64 -5.203 11.170 9.298 456 1HZ LYS 64 HZ1 LYS 64 -4.220 10.052 11.106 457 2HZ LYS 64 HZ2 LYS 64 -4.109 8.591 10.261 458 3HZ LYS 64 HZ3 LYS 64 -5.621 9.176 10.743 459 H CYS 65 HN CYS 65 -8.450 5.818 5.338 460 HA CYS 65 HA CYS 65 -8.334 4.140 7.675 461 1HB CYS 65 HB2 CYS 65 -10.442 3.221 6.790 462 2HB CYS 65 HB1 CYS 65 -10.467 4.979 6.889 463 H ASN 66 HN ASN 66 -6.410 3.948 5.187 464 HA ASN 66 HA ASN 66 -6.800 1.085 4.663 465 1HB ASN 66 HB2 ASN 66 -5.180 1.531 2.747 466 2HB ASN 66 HB1 ASN 66 -6.780 2.241 2.597 467 1HD2 ASN 66 HD21 ASN 66 -4.381 3.043 1.267 468 2HD2 ASN 66 HD22 ASN 66 -4.059 4.674 1.736 469 HA PRO 67 HA PRO 67 -2.931 1.288 7.168 470 1HB PRO 67 HB2 PRO 67 -3.651 -0.017 9.322 471 2HB PRO 67 HB1 PRO 67 -4.338 1.596 9.033 472 1HG PRO 67 HG2 PRO 67 -5.546 -1.087 8.426 473 2HG PRO 67 HG1 PRO 67 -6.262 0.264 9.330 474 1HD PRO 67 HD2 PRO 67 -6.705 -0.165 6.656 475 2HD PRO 67 HD1 PRO 67 -6.759 1.436 7.418 476 H HIS 68 HN HIS 68 -1.422 -0.388 7.542 477 HA HIS 68 HA HIS 68 -1.315 -2.417 5.695 478 1HB HIS 68 HB2 HIS 68 0.419 -1.451 7.528 479 2HB HIS 68 HB1 HIS 68 0.053 -3.022 8.236 480 HD1 HIS 68 HD1 HIS 68 1.323 -1.542 4.967 481 HD2 HIS 68 HD2 HIS 68 1.391 -5.130 7.085 482 HE1 HIS 68 HE1 HIS 68 2.909 -3.029 3.761 483 HE2 HIS 68 HE2 HIS 68 2.869 -5.217 4.979 484 HA PRO 69 HA PRO 69 -4.048 -5.581 7.119 485 1HB PRO 69 HB2 PRO 69 -2.945 -7.699 5.786 486 2HB PRO 69 HB1 PRO 69 -3.991 -6.495 5.027 487 1HG PRO 69 HG2 PRO 69 -1.025 -6.751 4.949 488 2HG PRO 69 HG1 PRO 69 -2.143 -6.223 3.683 489 1HD PRO 69 HD2 PRO 69 -0.615 -4.516 5.171 490 2HD PRO 69 HD1 PRO 69 -2.161 -4.065 4.430 491 H LYS 70 HN LYS 70 -0.906 -7.222 6.732 492 HA LYS 70 HA LYS 70 -1.251 -8.710 9.117 493 1HB LYS 70 HB2 LYS 70 0.538 -8.660 6.880 494 2HB LYS 70 HB1 LYS 70 1.478 -8.744 8.363 495 1HG LYS 70 HG2 LYS 70 -0.787 -10.558 8.395 496 2HG LYS 70 HG1 LYS 70 0.297 -10.858 7.037 497 1HD LYS 70 HD2 LYS 70 0.750 -12.080 9.256 498 2HD LYS 70 HD1 LYS 70 2.104 -11.321 8.431 499 1HE LYS 70 HE2 LYS 70 0.735 -9.555 10.295 500 2HE LYS 70 HE1 LYS 70 1.447 -10.969 11.063 501 1HZ LYS 70 HZ1 LYS 70 3.277 -9.707 11.073 502 2HZ LYS 70 HZ2 LYS 70 2.728 -8.682 9.846 503 3HZ LYS 70 HZ3 LYS 70 3.427 -10.171 9.453 504 H GLN 71 HN GLN 71 0.326 -5.691 8.371 505 HA GLN 71 HA GLN 71 1.567 -5.603 11.019 506 1HB GLN 71 HB2 GLN 71 1.805 -3.676 8.703 507 2HB GLN 71 HB1 GLN 71 2.692 -3.569 10.216 508 1HG GLN 71 HG2 GLN 71 3.987 -5.434 9.735 509 2HG GLN 71 HG1 GLN 71 2.877 -6.003 8.489 510 1HE2 GLN 71 HE21 GLN 71 4.334 -2.826 9.052 511 2HE2 GLN 71 HE22 GLN 71 5.113 -2.716 7.513 512 H ARG 72 HN ARG 72 1.567 -3.254 11.930 513 HA ARG 72 HA ARG 72 0.307 -1.231 12.239 514 1HB ARG 72 HB2 ARG 72 -2.004 -1.078 12.109 515 2HB ARG 72 HB1 ARG 72 -1.600 -2.163 10.793 516 1HG ARG 72 HG2 ARG 72 -2.931 -3.733 11.621 517 2HG ARG 72 HG1 ARG 72 -2.109 -3.677 13.179 518 1HD ARG 72 HD2 ARG 72 -4.411 -1.974 12.256 519 2HD ARG 72 HD1 ARG 72 -4.411 -3.171 13.550 520 HE ARG 72 HE ARG 72 -2.544 -1.423 14.380 521 1HH1 ARG 72 HH11 ARG 72 -5.813 -0.985 13.235 522 2HH1 ARG 72 HH12 ARG 72 -6.086 0.437 14.185 523 1HH2 ARG 72 HH21 ARG 72 -2.904 0.445 15.631 524 2HH2 ARG 72 HH22 ARG 72 -4.437 1.249 15.545 525 HA PRO 73 HA PRO 73 -0.817 -3.302 16.375 526 1HB PRO 73 HB2 PRO 73 -0.318 -5.888 16.760 527 2HB PRO 73 HB1 PRO 73 -1.763 -5.367 15.884 528 1HG PRO 73 HG2 PRO 73 0.804 -6.462 14.827 529 2HG PRO 73 HG1 PRO 73 -0.853 -6.755 14.274 530 1HD PRO 73 HD2 PRO 73 0.952 -4.961 13.132 531 2HD PRO 73 HD1 PRO 73 -0.802 -4.966 12.879 532 H GLY 74 HN GLY 74 1.594 -2.124 15.601 533 1HA GLY 74 HA2 GLY 74 3.873 -3.551 16.523 534 2HA GLY 74 HA1 GLY 74 3.779 -1.818 16.246 535 1H GLU 180 HT1 GLU 180 18.520 13.416 0.606 536 2H GLU 180 HT2 GLU 180 19.505 14.336 1.667 537 3H GLU 180 HT3 GLU 180 20.169 13.684 0.225 538 HA GLU 180 HA GLU 180 17.931 15.574 0.200 539 1HB GLU 180 HB2 GLU 180 20.881 16.050 0.488 540 2HB GLU 180 HB1 GLU 180 19.878 17.218 -0.363 541 1HG GLU 180 HG2 GLU 180 18.808 16.406 2.230 542 2HG GLU 180 HG1 GLU 180 20.375 17.208 2.315 543 H GLU 181 HN GLU 181 18.595 13.179 -1.368 544 HA GLU 181 HA GLU 181 18.657 14.465 -3.984 545 1HB GLU 181 HB2 GLU 181 20.976 13.414 -3.047 546 2HB GLU 181 HB1 GLU 181 20.282 12.002 -3.831 547 1HG GLU 181 HG2 GLU 181 20.380 12.944 -5.925 548 2HG GLU 181 HG1 GLU 181 20.378 14.593 -5.299 549 H ARG 182 HN ARG 182 16.619 13.156 -2.357 550 HA ARG 182 HA ARG 182 16.124 10.602 -3.626 551 1HB ARG 182 HB2 ARG 182 14.694 12.234 -1.548 552 2HB ARG 182 HB1 ARG 182 13.910 10.853 -2.301 553 1HG ARG 182 HG2 ARG 182 14.822 9.974 -0.360 554 2HG ARG 182 HG1 ARG 182 16.000 9.538 -1.600 555 1HD ARG 182 HD2 ARG 182 17.217 10.352 0.275 556 2HD ARG 182 HD1 ARG 182 17.285 11.595 -0.974 557 HE ARG 182 HE ARG 182 16.176 13.003 0.437 558 1HH1 ARG 182 HH11 ARG 182 15.686 9.728 1.539 559 2HH1 ARG 182 HH12 ARG 182 14.866 10.206 2.987 560 1HH2 ARG 182 HH21 ARG 182 15.098 13.633 2.341 561 2HH2 ARG 182 HH22 ARG 182 14.531 12.423 3.442 562 H GLY 183 HN GLY 183 13.565 10.410 -4.199 563 1HA GLY 183 HA2 GLY 183 12.996 12.600 -6.099 564 2HA GLY 183 HA1 GLY 183 12.858 10.913 -6.570 565 H TRP 184 HN TRP 184 10.832 10.263 -6.677 566 HA TRP 184 HA TRP 184 8.785 11.647 -5.162 567 1HB TRP 184 HB2 TRP 184 7.246 10.106 -6.514 568 2HB TRP 184 HB1 TRP 184 8.144 11.337 -7.384 569 HD1 TRP 184 HD1 TRP 184 7.827 9.901 -9.614 570 HE1 TRP 184 HE1 TRP 184 9.108 7.881 -10.549 571 HE3 TRP 184 HE3 TRP 184 10.243 8.369 -5.338 572 HZ2 TRP 184 HZ2 TRP 184 10.885 5.911 -9.625 573 HZ3 TRP 184 HZ3 TRP 184 11.706 6.407 -5.474 574 HH2 TRP 184 HH2 TRP 184 12.022 5.204 -7.570 575 H LYS 185 HN LYS 185 7.665 8.547 -5.702 576 HA LYS 185 HA LYS 185 8.568 7.532 -3.118 577 1HB LYS 185 HB2 LYS 185 5.707 7.991 -3.929 578 2HB LYS 185 HB1 LYS 185 6.161 6.874 -2.671 579 1HG LYS 185 HG2 LYS 185 6.290 8.455 -1.185 580 2HG LYS 185 HG1 LYS 185 7.389 9.405 -2.199 581 1HD LYS 185 HD2 LYS 185 5.126 9.834 -3.506 582 2HD LYS 185 HD1 LYS 185 4.450 9.522 -1.905 583 1HE LYS 185 HE2 LYS 185 5.262 11.450 -1.045 584 2HE LYS 185 HE1 LYS 185 6.754 11.357 -1.980 585 1HZ LYS 185 HZ1 LYS 185 4.987 11.848 -3.907 586 2HZ LYS 185 HZ2 LYS 185 5.819 13.063 -3.077 587 3HZ LYS 185 HZ3 LYS 185 4.241 12.658 -2.623 588 H HIS 186 HN HIS 186 9.012 5.412 -3.181 589 HA HIS 186 HA HIS 186 7.660 3.698 -5.136 590 1HB HIS 186 HB2 HIS 186 9.843 4.538 -6.104 591 2HB HIS 186 HB1 HIS 186 10.662 3.633 -4.840 592 HD1 HIS 186 HD1 HIS 186 9.440 0.956 -4.852 593 HD2 HIS 186 HD2 HIS 186 9.999 3.095 -8.370 594 HE1 HIS 186 HE1 HIS 186 9.440 -0.760 -6.689 595 HE2 HIS 186 HE2 HIS 186 9.698 0.566 -8.815 596 H TRP 187 HN TRP 187 6.669 2.275 -3.775 597 HA TRP 187 HA TRP 187 8.353 0.971 -1.716 598 1HB TRP 187 HB2 TRP 187 5.732 2.218 -1.485 599 2HB TRP 187 HB1 TRP 187 5.739 0.578 -0.889 600 HD1 TRP 187 HD1 TRP 187 6.688 4.050 0.046 601 HE1 TRP 187 HE1 TRP 187 7.743 4.106 2.354 602 HE3 TRP 187 HE3 TRP 187 7.362 -0.965 0.744 603 HZ2 TRP 187 HZ2 TRP 187 8.714 2.272 4.262 604 HZ3 TRP 187 HZ3 TRP 187 8.367 -1.713 2.834 605 HH2 TRP 187 HH2 TRP 187 9.019 -0.128 4.573 606 H VAL 188 HN VAL 188 7.193 -1.006 -0.923 607 HA VAL 188 HA VAL 188 5.637 -2.596 -2.683 608 HB VAL 188 HB VAL 188 8.263 -3.885 -2.084 609 1HG1 VAL 188 HG11 VAL 188 7.083 -4.379 -4.669 610 2HG1 VAL 188 HG12 VAL 188 5.919 -4.615 -3.365 611 3HG1 VAL 188 HG13 VAL 188 7.444 -5.500 -3.357 612 1HG2 VAL 188 HG21 VAL 188 8.899 -1.757 -3.163 613 2HG2 VAL 188 HG22 VAL 188 7.856 -2.163 -4.527 614 3HG2 VAL 188 HG23 VAL 188 9.263 -3.162 -4.164 615 H TYR 189 HN TYR 189 4.291 -2.759 -0.843 616 HA TYR 189 HA TYR 189 5.556 -3.859 1.557 617 1HB TYR 189 HB2 TYR 189 3.147 -2.243 0.995 618 2HB TYR 189 HB1 TYR 189 3.026 -3.399 2.316 619 HD1 TYR 189 HD1 TYR 189 3.373 -0.149 1.864 620 HD2 TYR 189 HD2 TYR 189 5.602 -3.298 3.616 621 HE1 TYR 189 HE1 TYR 189 4.436 1.470 3.351 622 HE2 TYR 189 HE2 TYR 189 6.700 -1.691 5.120 623 HH TYR 189 HH TYR 189 6.318 1.745 4.737 624 H TYR 190 HN TYR 190 5.277 -5.891 2.206 625 HA TYR 190 HA TYR 190 3.309 -7.507 0.729 626 1HB TYR 190 HB2 TYR 190 5.934 -8.351 1.968 627 2HB TYR 190 HB1 TYR 190 4.781 -9.454 1.232 628 HD1 TYR 190 HD1 TYR 190 7.381 -9.659 0.235 629 HD2 TYR 190 HD2 TYR 190 4.456 -6.771 -0.814 630 HE1 TYR 190 HE1 TYR 190 8.492 -9.343 -1.930 631 HE2 TYR 190 HE2 TYR 190 5.545 -6.434 -2.975 632 HH TYR 190 HH TYR 190 8.589 -7.341 -3.668 633 H THR 191 HN THR 191 2.013 -8.963 1.803 634 HA THR 191 HA THR 191 1.747 -8.525 4.686 635 HB THR 191 HB THR 191 -0.441 -9.164 4.526 636 HG1 THR 191 HG1 THR 191 -0.410 -11.220 3.954 637 1HG2 THR 191 HG21 THR 191 -1.334 -8.855 2.098 638 2HG2 THR 191 HG22 THR 191 0.288 -8.237 1.801 639 3HG2 THR 191 HG23 THR 191 -0.733 -7.481 3.022 640 H CYS 192 HN CYS 192 2.111 -10.115 6.191 641 HA CYS 192 HA CYS 192 2.115 -12.756 6.274 642 1HB CYS 192 HB2 CYS 192 3.992 -13.802 5.223 643 2HB CYS 192 HB1 CYS 192 3.271 -12.803 3.973 644 H CYS 193 HN CYS 193 4.488 -10.242 6.246 645 HA CYS 193 HA CYS 193 5.486 -11.169 8.832 646 1HB CYS 193 HB2 CYS 193 7.292 -10.246 6.614 647 2HB CYS 193 HB1 CYS 193 7.668 -11.286 7.988 648 HA PRO 194 HA PRO 194 5.228 -6.809 9.610 649 1HB PRO 194 HB2 PRO 194 5.378 -6.924 12.244 650 2HB PRO 194 HB1 PRO 194 4.009 -7.662 11.398 651 1HG PRO 194 HG2 PRO 194 6.435 -8.965 12.559 652 2HG PRO 194 HG1 PRO 194 4.745 -9.498 12.608 653 1HD PRO 194 HD2 PRO 194 6.678 -10.380 10.795 654 2HD PRO 194 HD1 PRO 194 4.923 -10.558 10.601 655 H ASP 195 HN ASP 195 7.922 -8.249 9.060 656 HA ASP 195 HA ASP 195 9.568 -6.063 9.986 657 1HB ASP 195 HB2 ASP 195 10.093 -8.901 10.888 658 2HB ASP 195 HB1 ASP 195 11.271 -7.597 11.003 659 H THR 196 HN THR 196 8.653 -7.262 7.444 660 HA THR 196 HA THR 196 11.294 -7.515 6.209 661 HB THR 196 HB THR 196 9.202 -9.259 5.057 662 HG1 THR 196 HG1 THR 196 10.375 -9.740 7.582 663 1HG2 THR 196 HG21 THR 196 11.530 -9.175 4.206 664 2HG2 THR 196 HG22 THR 196 11.001 -10.783 4.701 665 3HG2 THR 196 HG23 THR 196 12.068 -9.845 5.746 666 HA PRO 197 HA PRO 197 8.185 -4.841 3.875 667 1HB PRO 197 HB2 PRO 197 9.037 -2.385 4.530 668 2HB PRO 197 HB1 PRO 197 7.924 -3.284 5.569 669 1HG PRO 197 HG2 PRO 197 10.883 -2.917 5.832 670 2HG PRO 197 HG1 PRO 197 9.632 -2.845 7.086 671 1HD PRO 197 HD2 PRO 197 11.209 -5.040 6.624 672 2HD PRO 197 HD1 PRO 197 9.587 -5.119 7.339 673 H TYR 198 HN TYR 198 8.598 -3.907 1.872 674 HA TYR 198 HA TYR 198 11.439 -3.805 1.091 675 1HB TYR 198 HB2 TYR 198 9.119 -4.238 -0.788 676 2HB TYR 198 HB1 TYR 198 10.822 -4.542 -1.092 677 HD1 TYR 198 HD1 TYR 198 8.187 -5.606 1.339 678 HD2 TYR 198 HD2 TYR 198 11.476 -6.743 -1.102 679 HE1 TYR 198 HE1 TYR 198 7.911 -7.918 2.054 680 HE2 TYR 198 HE2 TYR 198 11.189 -9.058 -0.405 681 HH TYR 198 HH TYR 198 9.093 -10.471 0.530 682 H LEU 199 HN LEU 199 11.991 -1.746 1.309 683 HA LEU 199 HA LEU 199 10.197 0.398 0.450 684 1HB LEU 199 HB2 LEU 199 11.234 0.357 2.709 685 2HB LEU 199 HB1 LEU 199 12.809 0.501 1.960 686 HG LEU 199 HG LEU 199 10.639 2.573 1.710 687 1HD1 LEU 199 HD11 LEU 199 11.261 2.327 4.044 688 2HD1 LEU 199 HD12 LEU 199 11.925 3.828 3.399 689 3HD1 LEU 199 HD13 LEU 199 12.971 2.425 3.623 690 1HD2 LEU 199 HD21 LEU 199 13.143 3.739 1.446 691 2HD2 LEU 199 HD22 LEU 199 12.007 3.393 0.145 692 3HD2 LEU 199 HD23 LEU 199 13.274 2.232 0.543 693 H ASP 200 HN ASP 200 10.877 2.105 -0.921 694 HA ASP 200 HA ASP 200 13.419 1.907 -2.287 695 1HB ASP 200 HB2 ASP 200 10.906 1.011 -3.518 696 2HB ASP 200 HB1 ASP 200 11.813 2.164 -4.492 697 H ILE 201 HN ILE 201 14.169 3.908 -2.250 698 HA ILE 201 HA ILE 201 12.362 6.117 -2.946 699 HB ILE 201 HB ILE 201 13.232 7.554 -1.246 700 1HG1 ILE 201 HG12 ILE 201 15.554 6.678 -1.230 701 2HG1 ILE 201 HG11 ILE 201 14.894 6.871 0.391 702 1HG2 ILE 201 HG21 ILE 201 11.778 5.192 -0.682 703 2HG2 ILE 201 HG22 ILE 201 11.708 6.749 0.140 704 3HG2 ILE 201 HG23 ILE 201 12.837 5.513 0.689 705 1HD1 ILE 201 HD11 ILE 201 15.903 4.515 -0.921 706 2HD1 ILE 201 HD12 ILE 201 14.274 4.262 -0.297 707 3HD1 ILE 201 HD13 ILE 201 15.558 4.799 0.784 708 H THR 202 HN THR 202 15.628 4.839 -2.851 709 HA THR 202 HA THR 202 16.895 7.086 -4.034 710 HB THR 202 HB THR 202 18.036 4.380 -4.464 711 HG1 THR 202 HG1 THR 202 17.660 5.513 -1.894 712 1HG2 THR 202 HG21 THR 202 19.921 5.519 -4.564 713 2HG2 THR 202 HG22 THR 202 19.671 6.125 -2.928 714 3HG2 THR 202 HG23 THR 202 19.019 7.012 -4.307 715 H GLU 203 HN GLU 203 15.560 7.641 -5.795 716 HA GLU 203 HA GLU 203 15.143 5.788 -7.958 717 1HB GLU 203 HB2 GLU 203 14.192 7.797 -9.118 718 2HB GLU 203 HB1 GLU 203 13.433 7.417 -7.578 719 1HG GLU 203 HG2 GLU 203 14.064 9.347 -6.647 720 2HG GLU 203 HG1 GLU 203 15.665 9.294 -7.379 721 H GLU 204 HN GLU 204 16.552 5.347 -9.510 722 HA GLU 204 HA GLU 204 18.098 7.323 -10.828 723 1HB GLU 204 HB2 GLU 204 20.346 6.326 -10.194 724 2HB GLU 204 HB1 GLU 204 19.563 7.318 -8.972 725 1HG GLU 204 HG2 GLU 204 19.047 5.499 -7.638 726 2HG GLU 204 HG1 GLU 204 19.197 4.354 -8.970 Start of MODEL 6 1 1H ILE 1 HT1 ILE 1 -11.692 14.070 3.656 2 2H ILE 1 HT2 ILE 1 -10.592 13.691 2.394 3 3H ILE 1 HT3 ILE 1 -10.077 14.635 3.731 4 HA ILE 1 HA ILE 1 -10.517 12.755 5.184 5 HB ILE 1 HB ILE 1 -10.432 10.860 2.929 6 1HG1 ILE 1 HG12 ILE 1 -12.163 12.530 2.188 7 2HG1 ILE 1 HG11 ILE 1 -12.791 10.906 2.449 8 1HG2 ILE 1 HG21 ILE 1 -10.477 9.822 4.973 9 2HG2 ILE 1 HG22 ILE 1 -12.189 9.808 4.548 10 3HG2 ILE 1 HG23 ILE 1 -11.570 11.013 5.678 11 1HD1 ILE 1 HD11 ILE 1 -14.351 11.805 3.731 12 2HD1 ILE 1 HD12 ILE 1 -13.570 13.385 3.664 13 3HD1 ILE 1 HD13 ILE 1 -13.090 12.215 4.894 14 H VAL 2 HN VAL 2 -8.894 11.155 5.555 15 HA VAL 2 HA VAL 2 -6.345 11.909 4.327 16 HB VAL 2 HB VAL 2 -6.916 10.318 6.839 17 1HG1 VAL 2 HG11 VAL 2 -4.485 10.821 7.300 18 2HG1 VAL 2 HG12 VAL 2 -4.353 11.350 5.623 19 3HG1 VAL 2 HG13 VAL 2 -4.783 9.680 5.990 20 1HG2 VAL 2 HG21 VAL 2 -6.908 12.217 8.043 21 2HG2 VAL 2 HG22 VAL 2 -7.320 12.989 6.513 22 3HG2 VAL 2 HG23 VAL 2 -5.644 12.958 7.061 23 H CYS 3 HN CYS 3 -4.901 10.259 3.540 24 HA CYS 3 HA CYS 3 -6.045 7.576 3.357 25 1HB CYS 3 HB2 CYS 3 -6.591 9.191 1.339 26 2HB CYS 3 HB1 CYS 3 -4.965 8.738 0.835 27 H HIS 4 HN HIS 4 -4.617 6.014 3.578 28 HA HIS 4 HA HIS 4 -1.802 6.621 3.858 29 1HB HIS 4 HB2 HIS 4 -3.523 4.192 4.253 30 2HB HIS 4 HB1 HIS 4 -1.781 3.997 4.110 31 HD1 HIS 4 HD1 HIS 4 -0.944 6.502 5.769 32 HD2 HIS 4 HD2 HIS 4 -3.791 3.702 6.927 33 HE1 HIS 4 HE1 HIS 4 -1.043 6.644 8.277 34 HE2 HIS 4 HE2 HIS 4 -2.828 4.997 8.950 35 H THR 5 HN THR 5 -0.246 4.995 2.786 36 HA THR 5 HA THR 5 -0.955 3.810 0.334 37 HB THR 5 HB THR 5 -1.136 6.191 -0.354 38 HG1 THR 5 HG1 THR 5 1.044 4.845 -1.565 39 1HG2 THR 5 HG21 THR 5 0.357 7.618 0.461 40 2HG2 THR 5 HG22 THR 5 1.423 7.008 -0.806 41 3HG2 THR 5 HG23 THR 5 1.518 6.341 0.825 42 H THR 6 HN THR 6 0.846 2.912 -0.793 43 HA THR 6 HA THR 6 3.160 2.468 0.943 44 HB THR 6 HB THR 6 3.172 0.265 0.114 45 HG1 THR 6 HG1 THR 6 1.303 1.109 -1.827 46 1HG2 THR 6 HG21 THR 6 1.368 0.634 1.700 47 2HG2 THR 6 HG22 THR 6 0.955 -0.615 0.525 48 3HG2 THR 6 HG23 THR 6 0.282 1.008 0.365 49 H ALA 7 HN ALA 7 4.484 4.168 -0.027 50 HA ALA 7 HA ALA 7 5.580 3.315 -2.554 51 1HB ALA 7 HB1 ALA 7 3.703 4.549 -3.323 52 2HB ALA 7 HB2 ALA 7 5.177 5.424 -3.720 53 3HB ALA 7 HB3 ALA 7 4.176 5.952 -2.368 54 H THR 8 HN THR 8 5.879 5.756 0.074 55 HA THR 8 HA THR 8 8.533 6.356 -0.994 56 HB THR 8 HB THR 8 7.425 8.300 -0.328 57 HG1 THR 8 HG1 THR 8 9.164 8.997 0.558 58 1HG2 THR 8 HG21 THR 8 6.229 6.730 1.659 59 2HG2 THR 8 HG22 THR 8 5.924 8.424 1.273 60 3HG2 THR 8 HG23 THR 8 7.127 8.001 2.490 61 H SER 9 HN SER 9 9.399 6.959 1.973 62 HA SER 9 HA SER 9 10.962 4.598 2.149 63 1HB SER 9 HB2 SER 9 10.641 6.327 4.567 64 2HB SER 9 HB1 SER 9 12.094 5.615 3.878 65 HG SER 9 HG SER 9 12.342 7.638 3.266 66 HA PRO 10 HA PRO 10 7.772 3.138 5.293 67 1HB PRO 10 HB2 PRO 10 6.719 4.829 7.015 68 2HB PRO 10 HB1 PRO 10 8.481 4.653 6.991 69 1HG PRO 10 HG2 PRO 10 6.806 6.893 6.036 70 2HG PRO 10 HG1 PRO 10 8.506 6.902 6.538 71 1HD PRO 10 HD2 PRO 10 7.375 6.626 3.849 72 2HD PRO 10 HD1 PRO 10 9.060 6.922 4.317 73 H ILE 11 HN ILE 11 5.286 3.345 6.041 74 HA ILE 11 HA ILE 11 3.690 3.628 3.702 75 HB ILE 11 HB ILE 11 3.110 3.157 6.591 76 1HG1 ILE 11 HG12 ILE 11 3.495 1.432 4.705 77 2HG1 ILE 11 HG11 ILE 11 2.198 1.151 5.856 78 1HG2 ILE 11 HG21 ILE 11 1.487 4.855 6.195 79 2HG2 ILE 11 HG22 ILE 11 0.652 3.302 6.140 80 3HG2 ILE 11 HG23 ILE 11 1.043 4.147 4.641 81 1HD1 ILE 11 HD11 ILE 11 0.610 2.091 4.205 82 2HD1 ILE 11 HD12 ILE 11 1.430 0.631 3.654 83 3HD1 ILE 11 HD13 ILE 11 1.940 2.209 3.053 84 H SER 12 HN SER 12 3.185 5.550 2.739 85 HA SER 12 HA SER 12 3.248 7.963 4.400 86 1HB SER 12 HB2 SER 12 3.848 9.156 2.516 87 2HB SER 12 HB1 SER 12 4.485 7.574 2.082 88 HG SER 12 HG SER 12 2.468 9.006 0.944 89 H ALA 13 HN ALA 13 1.556 9.398 4.539 90 HA ALA 13 HA ALA 13 -0.994 8.516 3.367 91 1HB ALA 13 HB1 ALA 13 -2.021 8.446 5.351 92 2HB ALA 13 HB2 ALA 13 -1.249 9.931 5.906 93 3HB ALA 13 HB3 ALA 13 -0.398 8.392 6.036 94 H VAL 14 HN VAL 14 -2.126 10.018 2.315 95 HA VAL 14 HA VAL 14 -1.620 12.853 2.843 96 HB VAL 14 HB VAL 14 -1.663 13.264 0.345 97 1HG1 VAL 14 HG11 VAL 14 0.434 13.672 1.071 98 2HG1 VAL 14 HG12 VAL 14 0.803 12.190 0.189 99 3HG1 VAL 14 HG13 VAL 14 0.549 12.138 1.933 100 1HG2 VAL 14 HG21 VAL 14 -0.915 11.386 -1.081 101 2HG2 VAL 14 HG22 VAL 14 -2.519 11.130 -0.394 102 3HG2 VAL 14 HG23 VAL 14 -1.123 10.297 0.291 103 H THR 15 HN THR 15 -3.355 14.224 2.344 104 HA THR 15 HA THR 15 -5.928 12.951 2.392 105 HB THR 15 HB THR 15 -5.266 15.110 3.594 106 HG1 THR 15 HG1 THR 15 -7.617 14.928 2.034 107 1HG2 THR 15 HG21 THR 15 -5.820 16.283 0.882 108 2HG2 THR 15 HG22 THR 15 -4.279 16.321 1.742 109 3HG2 THR 15 HG23 THR 15 -5.673 17.188 2.389 110 H CYS 16 HN CYS 16 -7.548 13.050 0.839 111 HA CYS 16 HA CYS 16 -6.575 13.292 -1.894 112 1HB CYS 16 HB2 CYS 16 -9.268 12.330 -0.919 113 2HB CYS 16 HB1 CYS 16 -8.603 12.137 -2.538 114 HA PRO 17 HA PRO 17 -8.262 17.488 -1.941 115 1HB PRO 17 HB2 PRO 17 -7.376 17.327 -4.761 116 2HB PRO 17 HB1 PRO 17 -6.988 18.524 -3.522 117 1HG PRO 17 HG2 PRO 17 -5.183 16.719 -4.304 118 2HG PRO 17 HG1 PRO 17 -5.303 17.227 -2.608 119 1HD PRO 17 HD2 PRO 17 -6.294 14.723 -3.912 120 2HD PRO 17 HD1 PRO 17 -5.523 14.939 -2.329 121 HA PRO 18 HA PRO 18 -11.193 16.621 -5.650 122 1HB PRO 18 HB2 PRO 18 -11.155 14.190 -6.835 123 2HB PRO 18 HB1 PRO 18 -10.106 15.520 -7.341 124 1HG PRO 18 HG2 PRO 18 -9.476 13.153 -5.634 125 2HG PRO 18 HG1 PRO 18 -8.493 13.925 -6.890 126 1HD PRO 18 HD2 PRO 18 -8.136 14.323 -4.210 127 2HD PRO 18 HD1 PRO 18 -7.688 15.511 -5.449 128 H GLY 19 HN GLY 19 -13.028 14.842 -6.203 129 1HA GLY 19 HA2 GLY 19 -14.383 14.432 -3.737 130 2HA GLY 19 HA1 GLY 19 -14.932 13.904 -5.320 131 H GLU 20 HN GLU 20 -12.494 12.337 -5.816 132 HA GLU 20 HA GLU 20 -13.354 9.914 -4.555 133 1HB GLU 20 HB2 GLU 20 -11.557 8.859 -5.851 134 2HB GLU 20 HB1 GLU 20 -12.539 9.909 -6.861 135 1HG GLU 20 HG2 GLU 20 -10.435 11.487 -5.874 136 2HG GLU 20 HG1 GLU 20 -9.723 9.961 -6.395 137 H ASN 21 HN ASN 21 -12.973 9.849 -2.404 138 HA ASN 21 HA ASN 21 -10.175 10.194 -1.530 139 1HB ASN 21 HB2 ASN 21 -12.386 10.502 0.444 140 2HB ASN 21 HB1 ASN 21 -10.804 11.274 0.403 141 1HD2 ASN 21 HD21 ASN 21 -14.085 11.413 -0.589 142 2HD2 ASN 21 HD22 ASN 21 -14.042 13.000 -1.276 143 H LEU 22 HN LEU 22 -12.400 7.967 -2.197 144 HA LEU 22 HA LEU 22 -12.429 6.349 0.113 145 1HB LEU 22 HB2 LEU 22 -13.640 6.353 -2.417 146 2HB LEU 22 HB1 LEU 22 -12.770 4.833 -2.309 147 HG LEU 22 HG LEU 22 -13.947 4.727 0.050 148 1HD1 LEU 22 HD11 LEU 22 -15.018 6.850 0.015 149 2HD1 LEU 22 HD12 LEU 22 -16.270 5.620 -0.165 150 3HD1 LEU 22 HD13 LEU 22 -15.722 6.533 -1.571 151 1HD2 LEU 22 HD21 LEU 22 -15.989 3.996 -1.801 152 2HD2 LEU 22 HD22 LEU 22 -14.854 2.958 -0.939 153 3HD2 LEU 22 HD23 LEU 22 -14.418 3.627 -2.511 154 H CYS 23 HN CYS 23 -10.572 5.634 0.942 155 HA CYS 23 HA CYS 23 -8.270 4.967 -0.560 156 1HB CYS 23 HB2 CYS 23 -8.973 4.261 2.271 157 2HB CYS 23 HB1 CYS 23 -7.388 4.119 1.538 158 H TYR 24 HN TYR 24 -7.320 2.873 -0.788 159 HA TYR 24 HA TYR 24 -9.206 0.658 -0.481 160 1HB TYR 24 HB2 TYR 24 -8.730 -0.224 -2.654 161 2HB TYR 24 HB1 TYR 24 -9.224 1.456 -2.847 162 HD1 TYR 24 HD1 TYR 24 -6.460 -0.937 -3.197 163 HD2 TYR 24 HD2 TYR 24 -7.611 3.168 -3.425 164 HE1 TYR 24 HE1 TYR 24 -4.425 -0.451 -4.415 165 HE2 TYR 24 HE2 TYR 24 -5.554 3.659 -4.678 166 HH TYR 24 HH TYR 24 -3.922 2.356 -6.148 167 H ARG 25 HN ARG 25 -8.387 -1.251 -0.015 168 HA ARG 25 HA ARG 25 -5.493 -1.472 0.354 169 1HB ARG 25 HB2 ARG 25 -5.736 -1.969 2.533 170 2HB ARG 25 HB1 ARG 25 -7.396 -1.427 2.394 171 1HG ARG 25 HG2 ARG 25 -7.429 -3.525 3.476 172 2HG ARG 25 HG1 ARG 25 -8.026 -3.793 1.842 173 1HD ARG 25 HD2 ARG 25 -6.097 -5.276 3.069 174 2HD ARG 25 HD1 ARG 25 -6.317 -5.161 1.327 175 HE ARG 25 HE ARG 25 -4.404 -3.878 1.189 176 1HH1 ARG 25 HH11 ARG 25 -5.318 -4.269 4.536 177 2HH1 ARG 25 HH12 ARG 25 -3.819 -3.651 5.143 178 1HH2 ARG 25 HH21 ARG 25 -2.450 -3.070 1.979 179 2HH2 ARG 25 HH22 ARG 25 -2.186 -2.962 3.683 180 H LYS 26 HN LYS 26 -5.128 -2.518 -1.513 181 HA LYS 26 HA LYS 26 -6.574 -5.051 -1.908 182 1HB LYS 26 HB2 LYS 26 -6.013 -4.781 -4.326 183 2HB LYS 26 HB1 LYS 26 -7.140 -3.591 -3.696 184 1HG LYS 26 HG2 LYS 26 -5.800 -2.173 -4.810 185 2HG LYS 26 HG1 LYS 26 -4.856 -2.260 -3.322 186 1HD LYS 26 HD2 LYS 26 -3.440 -2.558 -5.278 187 2HD LYS 26 HD1 LYS 26 -3.483 -4.023 -4.293 188 1HE LYS 26 HE2 LYS 26 -5.519 -3.854 -6.394 189 2HE LYS 26 HE1 LYS 26 -3.857 -3.974 -6.967 190 1HZ LYS 26 HZ1 LYS 26 -4.185 -5.832 -4.914 191 2HZ LYS 26 HZ2 LYS 26 -3.925 -6.133 -6.558 192 3HZ LYS 26 HZ3 LYS 26 -5.503 -6.009 -5.959 193 H MET 27 HN MET 27 -5.503 -6.860 -2.247 194 HA MET 27 HA MET 27 -2.657 -6.801 -2.682 195 1HB MET 27 HB2 MET 27 -2.614 -8.450 -0.537 196 2HB MET 27 HB1 MET 27 -2.249 -6.733 -0.456 197 1HG MET 27 HG2 MET 27 -4.081 -6.259 0.726 198 2HG MET 27 HG1 MET 27 -5.087 -7.396 -0.171 199 1HE MET 27 HE1 MET 27 -6.218 -7.468 1.961 200 2HE MET 27 HE2 MET 27 -5.271 -7.341 3.444 201 3HE MET 27 HE3 MET 27 -6.004 -8.880 2.995 202 H TRP 28 HN TRP 28 -1.747 -8.845 -3.022 203 HA TRP 28 HA TRP 28 -3.547 -11.095 -3.453 204 1HB TRP 28 HB2 TRP 28 -2.640 -11.499 -5.706 205 2HB TRP 28 HB1 TRP 28 -3.566 -10.010 -5.579 206 HD1 TRP 28 HD1 TRP 28 -0.310 -11.330 -6.623 207 HE1 TRP 28 HE1 TRP 28 1.257 -9.402 -7.347 208 HE3 TRP 28 HE3 TRP 28 -3.017 -7.427 -4.821 209 HZ2 TRP 28 HZ2 TRP 28 1.302 -6.571 -7.157 210 HZ3 TRP 28 HZ3 TRP 28 -2.157 -5.145 -5.110 211 HH2 TRP 28 HH2 TRP 28 -0.042 -4.725 -6.247 212 H CYS 29 HN CYS 29 -1.038 -12.259 -5.027 213 HA CYS 29 HA CYS 29 0.502 -12.723 -2.567 214 1HB CYS 29 HB2 CYS 29 0.462 -15.007 -2.756 215 2HB CYS 29 HB1 CYS 29 -1.121 -14.606 -3.406 216 H ASP 30 HN ASP 30 2.610 -12.585 -2.628 217 HA ASP 30 HA ASP 30 4.017 -12.867 -5.164 218 1HB ASP 30 HB2 ASP 30 5.461 -10.894 -4.626 219 2HB ASP 30 HB1 ASP 30 3.805 -10.484 -5.047 220 H ALA 31 HN ALA 31 4.412 -14.884 -4.152 221 HA ALA 31 HA ALA 31 6.213 -16.175 -3.511 222 1HB ALA 31 HB1 ALA 31 7.334 -13.768 -2.986 223 2HB ALA 31 HB2 ALA 31 8.081 -15.334 -2.701 224 3HB ALA 31 HB3 ALA 31 7.249 -14.504 -1.385 225 H PHE 32 HN PHE 32 3.976 -14.593 -1.271 226 HA PHE 32 HA PHE 32 4.520 -16.416 0.865 227 1HB PHE 32 HB2 PHE 32 3.033 -14.207 0.800 228 2HB PHE 32 HB1 PHE 32 1.754 -15.372 0.518 229 HD1 PHE 32 HD1 PHE 32 0.548 -15.475 2.503 230 HD2 PHE 32 HD2 PHE 32 4.797 -15.603 2.611 231 HE1 PHE 32 HE1 PHE 32 0.464 -15.947 4.917 232 HE2 PHE 32 HE2 PHE 32 4.725 -16.076 5.030 233 HZ PHE 32 HZ PHE 32 2.554 -16.249 6.185 234 H CYS 33 HN CYS 33 2.758 -16.419 -2.062 235 HA CYS 33 HA CYS 33 1.442 -18.942 -1.545 236 1HB CYS 33 HB2 CYS 33 0.678 -18.679 -3.924 237 2HB CYS 33 HB1 CYS 33 0.237 -17.312 -2.902 238 H SER 34 HN SER 34 4.202 -17.536 -3.116 239 HA SER 34 HA SER 34 5.113 -20.072 -4.208 240 1HB SER 34 HB2 SER 34 5.417 -17.392 -4.992 241 2HB SER 34 HB1 SER 34 7.020 -17.919 -4.478 242 HG SER 34 HG SER 34 5.634 -18.570 -6.706 243 H SER 35 HN SER 35 6.909 -17.506 -2.450 244 HA SER 35 HA SER 35 7.937 -19.551 -0.632 245 1HB SER 35 HB2 SER 35 10.256 -18.627 -0.961 246 2HB SER 35 HB1 SER 35 9.587 -19.517 -2.330 247 HG SER 35 HG SER 35 9.062 -17.505 -3.280 248 H ARG 36 HN ARG 36 8.409 -15.974 -1.182 249 HA ARG 36 HA ARG 36 8.827 -15.737 1.651 250 1HB ARG 36 HB2 ARG 36 9.255 -13.258 1.124 251 2HB ARG 36 HB1 ARG 36 10.421 -14.474 0.645 252 1HG ARG 36 HG2 ARG 36 9.486 -14.390 -1.648 253 2HG ARG 36 HG1 ARG 36 8.439 -13.069 -1.125 254 1HD ARG 36 HD2 ARG 36 10.083 -11.577 -1.327 255 2HD ARG 36 HD1 ARG 36 11.186 -12.581 -0.383 256 HE ARG 36 HE ARG 36 12.109 -13.355 -2.334 257 1HH1 ARG 36 HH11 ARG 36 9.113 -11.716 -3.061 258 2HH1 ARG 36 HH12 ARG 36 9.359 -11.761 -4.774 259 1HH2 ARG 36 HH21 ARG 36 12.432 -13.417 -4.588 260 2HH2 ARG 36 HH22 ARG 36 11.243 -12.727 -5.641 261 H GLY 37 HN GLY 37 6.774 -13.356 -0.281 262 1HA GLY 37 HA2 GLY 37 4.819 -13.754 1.891 263 2HA GLY 37 HA1 GLY 37 5.530 -12.167 1.715 264 H LYS 38 HN LYS 38 3.060 -11.890 1.690 265 HA LYS 38 HA LYS 38 1.844 -12.355 -0.903 266 1HB LYS 38 HB2 LYS 38 0.914 -12.031 1.752 267 2HB LYS 38 HB1 LYS 38 0.251 -10.699 0.816 268 1HG LYS 38 HG2 LYS 38 -1.321 -12.057 0.061 269 2HG LYS 38 HG1 LYS 38 -0.077 -13.015 -0.744 270 1HD LYS 38 HD2 LYS 38 -0.123 -14.638 0.831 271 2HD LYS 38 HD1 LYS 38 -0.401 -13.497 2.148 272 1HE LYS 38 HE2 LYS 38 -2.607 -13.824 2.086 273 2HE LYS 38 HE1 LYS 38 -2.660 -13.641 0.334 274 1HZ LYS 38 HZ1 LYS 38 -2.567 -15.852 0.011 275 2HZ LYS 38 HZ2 LYS 38 -3.188 -15.922 1.583 276 3HZ LYS 38 HZ3 LYS 38 -1.530 -16.129 1.320 277 H VAL 39 HN VAL 39 0.572 -10.407 -1.830 278 HA VAL 39 HA VAL 39 2.475 -8.185 -2.011 279 HB VAL 39 HB VAL 39 0.110 -8.385 -3.790 280 1HG1 VAL 39 HG11 VAL 39 2.195 -7.737 -5.348 281 2HG1 VAL 39 HG12 VAL 39 2.818 -7.191 -3.791 282 3HG1 VAL 39 HG13 VAL 39 1.298 -6.545 -4.407 283 1HG2 VAL 39 HG21 VAL 39 0.621 -10.457 -4.413 284 2HG2 VAL 39 HG22 VAL 39 2.160 -10.426 -3.575 285 3HG2 VAL 39 HG23 VAL 39 2.030 -9.748 -5.195 286 H VAL 40 HN VAL 40 1.979 -6.106 -1.476 287 HA VAL 40 HA VAL 40 -0.791 -5.488 -0.729 288 HB VAL 40 HB VAL 40 1.445 -4.633 1.067 289 1HG1 VAL 40 HG11 VAL 40 -1.532 -4.716 1.176 290 2HG1 VAL 40 HG12 VAL 40 -0.425 -3.405 1.588 291 3HG1 VAL 40 HG13 VAL 40 -0.604 -4.783 2.674 292 1HG2 VAL 40 HG21 VAL 40 1.763 -6.872 1.381 293 2HG2 VAL 40 HG22 VAL 40 0.110 -7.276 0.929 294 3HG2 VAL 40 HG23 VAL 40 0.448 -6.592 2.518 295 H GLU 41 HN GLU 41 -1.476 -3.553 -1.269 296 HA GLU 41 HA GLU 41 0.301 -1.283 -1.503 297 1HB GLU 41 HB2 GLU 41 -1.038 -0.818 -3.786 298 2HB GLU 41 HB1 GLU 41 0.559 -1.555 -3.734 299 1HG GLU 41 HG2 GLU 41 -0.407 -3.745 -3.962 300 2HG GLU 41 HG1 GLU 41 -2.030 -3.065 -3.842 301 H LEU 42 HN LEU 42 -0.774 0.691 -1.269 302 HA LEU 42 HA LEU 42 -3.699 0.584 -0.961 303 1HB LEU 42 HB2 LEU 42 -2.098 2.358 0.831 304 2HB LEU 42 HB1 LEU 42 -3.708 1.708 1.059 305 HG LEU 42 HG LEU 42 -1.344 -0.103 1.106 306 1HD1 LEU 42 HD11 LEU 42 -1.652 0.250 3.693 307 2HD1 LEU 42 HD12 LEU 42 -2.190 1.849 3.179 308 3HD1 LEU 42 HD13 LEU 42 -0.576 1.283 2.752 309 1HD2 LEU 42 HD21 LEU 42 -3.124 -0.978 2.941 310 2HD2 LEU 42 HD22 LEU 42 -3.119 -1.481 1.250 311 3HD2 LEU 42 HD23 LEU 42 -4.201 -0.195 1.784 312 H GLY 43 HN GLY 43 -4.789 2.613 -1.298 313 1HA GLY 43 HA2 GLY 43 -3.279 4.900 -2.177 314 2HA GLY 43 HA1 GLY 43 -4.011 4.036 -3.515 315 H CYS 44 HN CYS 44 -5.029 6.211 -3.756 316 HA CYS 44 HA CYS 44 -7.470 6.377 -2.113 317 1HB CYS 44 HB2 CYS 44 -6.113 8.269 -1.562 318 2HB CYS 44 HB1 CYS 44 -5.767 8.594 -3.256 319 H ALA 45 HN ALA 45 -9.249 5.951 -3.223 320 HA ALA 45 HA ALA 45 -9.452 6.842 -6.011 321 1HB ALA 45 HB1 ALA 45 -10.859 4.525 -6.108 322 2HB ALA 45 HB2 ALA 45 -9.544 4.078 -5.020 323 3HB ALA 45 HB3 ALA 45 -9.183 4.696 -6.632 324 H ALA 46 HN ALA 46 -11.901 6.283 -6.690 325 HA ALA 46 HA ALA 46 -13.565 7.538 -4.618 326 1HB ALA 46 HB1 ALA 46 -14.808 7.299 -7.221 327 2HB ALA 46 HB2 ALA 46 -13.249 8.121 -7.323 328 3HB ALA 46 HB3 ALA 46 -14.503 8.741 -6.246 329 H THR 47 HN THR 47 -13.125 4.808 -6.684 330 HA THR 47 HA THR 47 -14.813 3.160 -5.116 331 HB THR 47 HB THR 47 -15.988 2.634 -7.541 332 HG1 THR 47 HG1 THR 47 -16.055 5.436 -7.209 333 1HG2 THR 47 HG21 THR 47 -16.910 3.023 -5.106 334 2HG2 THR 47 HG22 THR 47 -17.957 3.098 -6.526 335 3HG2 THR 47 HG23 THR 47 -17.351 4.586 -5.795 336 H CYS 48 HN CYS 48 -13.109 1.831 -4.895 337 HA CYS 48 HA CYS 48 -11.629 0.902 -7.205 338 1HB CYS 48 HB2 CYS 48 -10.084 -0.058 -5.646 339 2HB CYS 48 HB1 CYS 48 -10.488 1.564 -5.114 340 HA PRO 49 HA PRO 49 -14.066 -2.947 -7.022 341 1HB PRO 49 HB2 PRO 49 -15.169 -2.826 -9.450 342 2HB PRO 49 HB1 PRO 49 -15.769 -1.801 -8.141 343 1HG PRO 49 HG2 PRO 49 -14.227 -1.056 -10.534 344 2HG PRO 49 HG1 PRO 49 -15.220 -0.039 -9.479 345 1HD PRO 49 HD2 PRO 49 -12.329 -0.464 -9.432 346 2HD PRO 49 HD1 PRO 49 -13.294 0.735 -8.558 347 H SER 50 HN SER 50 -11.316 -2.948 -7.390 348 HA SER 50 HA SER 50 -10.735 -4.155 -9.965 349 1HB SER 50 HB2 SER 50 -8.697 -3.991 -7.796 350 2HB SER 50 HB1 SER 50 -8.514 -3.762 -9.535 351 HG SER 50 HG SER 50 -9.483 -1.966 -7.596 352 H LYS 51 HN LYS 51 -12.256 -5.987 -9.330 353 HA LYS 51 HA LYS 51 -11.009 -7.969 -7.589 354 1HB LYS 51 HB2 LYS 51 -13.029 -9.329 -8.057 355 2HB LYS 51 HB1 LYS 51 -13.400 -7.761 -7.350 356 1HG LYS 51 HG2 LYS 51 -13.410 -7.953 -10.306 357 2HG LYS 51 HG1 LYS 51 -14.721 -8.748 -9.432 358 1HD LYS 51 HD2 LYS 51 -15.647 -6.792 -8.783 359 2HD LYS 51 HD1 LYS 51 -14.082 -6.011 -8.549 360 1HE LYS 51 HE2 LYS 51 -15.444 -5.033 -10.393 361 2HE LYS 51 HE1 LYS 51 -13.854 -5.610 -10.895 362 1HZ LYS 51 HZ1 LYS 51 -16.032 -7.522 -11.107 363 2HZ LYS 51 HZ2 LYS 51 -14.744 -7.227 -12.162 364 3HZ LYS 51 HZ3 LYS 51 -16.096 -6.212 -12.177 365 H LYS 52 HN LYS 52 -9.309 -7.565 -9.528 366 HA LYS 52 HA LYS 52 -9.610 -8.817 -11.967 367 1HB LYS 52 HB2 LYS 52 -7.369 -8.450 -12.249 368 2HB LYS 52 HB1 LYS 52 -7.681 -7.378 -10.898 369 1HG LYS 52 HG2 LYS 52 -6.791 -8.987 -9.348 370 2HG LYS 52 HG1 LYS 52 -6.580 -10.166 -10.643 371 1HD LYS 52 HD2 LYS 52 -4.448 -9.226 -10.340 372 2HD LYS 52 HD1 LYS 52 -5.100 -8.412 -11.764 373 1HE LYS 52 HE2 LYS 52 -5.372 -7.257 -9.005 374 2HE LYS 52 HE1 LYS 52 -3.946 -6.967 -9.998 375 1HZ LYS 52 HZ1 LYS 52 -6.595 -5.855 -10.214 376 2HZ LYS 52 HZ2 LYS 52 -5.970 -6.398 -11.690 377 3HZ LYS 52 HZ3 LYS 52 -5.118 -5.253 -10.783 378 HA PRO 53 HA PRO 53 -9.118 -13.220 -12.086 379 1HB PRO 53 HB2 PRO 53 -6.156 -12.959 -11.664 380 2HB PRO 53 HB1 PRO 53 -7.042 -14.092 -12.696 381 1HG PRO 53 HG2 PRO 53 -5.978 -11.902 -13.745 382 2HG PRO 53 HG1 PRO 53 -7.584 -12.452 -14.256 383 1HD PRO 53 HD2 PRO 53 -6.826 -10.138 -12.587 384 2HD PRO 53 HD1 PRO 53 -8.269 -10.375 -13.586 385 H TYR 54 HN TYR 54 -7.465 -11.630 -9.370 386 HA TYR 54 HA TYR 54 -8.697 -13.144 -7.429 387 1HB TYR 54 HB2 TYR 54 -6.685 -14.608 -6.732 388 2HB TYR 54 HB1 TYR 54 -7.722 -15.164 -8.042 389 HD1 TYR 54 HD1 TYR 54 -4.899 -12.732 -7.912 390 HD2 TYR 54 HD2 TYR 54 -6.455 -16.312 -9.584 391 HE1 TYR 54 HE1 TYR 54 -2.930 -12.890 -9.381 392 HE2 TYR 54 HE2 TYR 54 -4.494 -16.487 -11.061 393 HH TYR 54 HH TYR 54 -1.700 -14.875 -10.601 394 H GLU 55 HN GLU 55 -8.052 -10.530 -7.483 395 HA GLU 55 HA GLU 55 -6.048 -10.346 -5.334 396 1HB GLU 55 HB2 GLU 55 -6.497 -8.317 -7.529 397 2HB GLU 55 HB1 GLU 55 -5.381 -8.141 -6.181 398 1HG GLU 55 HG2 GLU 55 -4.457 -10.431 -7.126 399 2HG GLU 55 HG1 GLU 55 -5.167 -9.821 -8.611 400 H GLU 56 HN GLU 56 -6.847 -9.597 -3.505 401 HA GLU 56 HA GLU 56 -9.537 -8.716 -3.294 402 1HB GLU 56 HB2 GLU 56 -7.919 -9.886 -1.558 403 2HB GLU 56 HB1 GLU 56 -7.578 -8.224 -1.097 404 1HG GLU 56 HG2 GLU 56 -9.302 -9.124 0.314 405 2HG GLU 56 HG1 GLU 56 -9.977 -7.860 -0.714 406 H VAL 57 HN VAL 57 -10.282 -6.697 -2.415 407 HA VAL 57 HA VAL 57 -8.628 -4.399 -2.256 408 HB VAL 57 HB VAL 57 -8.584 -4.639 -4.698 409 1HG1 VAL 57 HG11 VAL 57 -10.379 -5.030 -5.991 410 2HG1 VAL 57 HG12 VAL 57 -11.411 -3.938 -5.067 411 3HG1 VAL 57 HG13 VAL 57 -11.121 -5.578 -4.489 412 1HG2 VAL 57 HG21 VAL 57 -9.261 -2.353 -3.240 413 2HG2 VAL 57 HG22 VAL 57 -10.288 -2.318 -4.674 414 3HG2 VAL 57 HG23 VAL 57 -8.536 -2.423 -4.846 415 H THR 58 HN THR 58 -9.632 -3.496 -0.573 416 HA THR 58 HA THR 58 -12.573 -3.327 -0.626 417 HB THR 58 HB THR 58 -10.917 -2.962 1.853 418 HG1 THR 58 HG1 THR 58 -10.275 -4.952 1.196 419 1HG2 THR 58 HG21 THR 58 -13.649 -2.865 1.369 420 2HG2 THR 58 HG22 THR 58 -12.844 -2.960 2.935 421 3HG2 THR 58 HG23 THR 58 -13.371 -4.434 2.124 422 H CYS 59 HN CYS 59 -13.440 -1.388 -0.916 423 HA CYS 59 HA CYS 59 -11.739 0.975 -0.718 424 1HB CYS 59 HB2 CYS 59 -14.586 1.051 -1.655 425 2HB CYS 59 HB1 CYS 59 -13.232 2.067 -2.135 426 H CYS 60 HN CYS 60 -11.978 2.544 0.772 427 HA CYS 60 HA CYS 60 -14.350 2.546 2.492 428 1HB CYS 60 HB2 CYS 60 -12.865 2.785 4.495 429 2HB CYS 60 HB1 CYS 60 -12.788 1.203 3.722 430 H SER 61 HN SER 61 -14.858 4.544 3.413 431 HA SER 61 HA SER 61 -13.362 6.812 2.275 432 1HB SER 61 HB2 SER 61 -15.922 6.274 1.781 433 2HB SER 61 HB1 SER 61 -16.143 7.165 3.286 434 HG SER 61 HG SER 61 -14.815 8.837 2.279 435 H THR 62 HN THR 62 -12.093 6.121 4.433 436 HA THR 62 HA THR 62 -12.919 8.103 6.423 437 HB THR 62 HB THR 62 -13.405 6.585 7.975 438 HG1 THR 62 HG1 THR 62 -11.667 6.174 9.025 439 1HG2 THR 62 HG21 THR 62 -12.680 4.635 5.851 440 2HG2 THR 62 HG22 THR 62 -14.229 4.920 6.643 441 3HG2 THR 62 HG23 THR 62 -12.943 4.071 7.501 442 H ASP 63 HN ASP 63 -11.256 9.129 7.518 443 HA ASP 63 HA ASP 63 -8.850 9.499 6.233 444 1HB ASP 63 HB2 ASP 63 -9.501 9.920 9.158 445 2HB ASP 63 HB1 ASP 63 -8.098 10.591 8.333 446 H LYS 64 HN LYS 64 -7.255 8.162 5.910 447 HA LYS 64 HA LYS 64 -5.671 6.531 6.214 448 1HB LYS 64 HB2 LYS 64 -6.167 6.629 9.176 449 2HB LYS 64 HB1 LYS 64 -4.663 6.319 8.322 450 1HG LYS 64 HG2 LYS 64 -5.748 8.959 7.771 451 2HG LYS 64 HG1 LYS 64 -5.414 8.690 9.481 452 1HD LYS 64 HD2 LYS 64 -3.173 7.680 8.493 453 2HD LYS 64 HD1 LYS 64 -3.555 8.781 7.168 454 1HE LYS 64 HE2 LYS 64 -3.946 10.462 9.180 455 2HE LYS 64 HE1 LYS 64 -2.823 9.370 9.989 456 1HZ LYS 64 HZ1 LYS 64 -1.708 11.241 8.894 457 2HZ LYS 64 HZ2 LYS 64 -2.298 10.720 7.397 458 3HZ LYS 64 HZ3 LYS 64 -1.213 9.752 8.260 459 H CYS 65 HN CYS 65 -8.311 5.722 5.711 460 HA CYS 65 HA CYS 65 -8.929 3.533 7.484 461 1HB CYS 65 HB2 CYS 65 -10.914 3.238 6.213 462 2HB CYS 65 HB1 CYS 65 -10.666 4.969 6.402 463 H ASN 66 HN ASN 66 -6.764 3.823 4.955 464 HA ASN 66 HA ASN 66 -7.092 1.002 4.184 465 1HB ASN 66 HB2 ASN 66 -5.531 1.603 2.293 466 2HB ASN 66 HB1 ASN 66 -7.104 2.391 2.238 467 1HD2 ASN 66 HD21 ASN 66 -4.709 3.231 0.945 468 2HD2 ASN 66 HD22 ASN 66 -4.310 4.789 1.567 469 HA PRO 67 HA PRO 67 -3.258 1.103 6.759 470 1HB PRO 67 HB2 PRO 67 -3.963 -0.482 8.736 471 2HB PRO 67 HB1 PRO 67 -4.676 1.140 8.619 472 1HG PRO 67 HG2 PRO 67 -5.842 -1.483 7.724 473 2HG PRO 67 HG1 PRO 67 -6.587 -0.226 8.734 474 1HD PRO 67 HD2 PRO 67 -6.974 -0.418 6.026 475 2HD PRO 67 HD1 PRO 67 -7.073 1.101 6.938 476 H HIS 68 HN HIS 68 -2.170 -1.083 7.783 477 HA HIS 68 HA HIS 68 -2.067 -2.913 5.500 478 1HB HIS 68 HB2 HIS 68 -0.054 -1.621 6.935 479 2HB HIS 68 HB1 HIS 68 0.068 -3.319 7.395 480 HD1 HIS 68 HD1 HIS 68 0.338 -1.046 4.427 481 HD2 HIS 68 HD2 HIS 68 0.889 -5.042 5.385 482 HE1 HIS 68 HE1 HIS 68 1.422 -2.078 2.410 483 HE2 HIS 68 HE2 HIS 68 1.578 -4.531 2.964 484 HA PRO 69 HA PRO 69 -3.579 -6.303 7.892 485 1HB PRO 69 HB2 PRO 69 -2.506 -8.242 6.094 486 2HB PRO 69 HB1 PRO 69 -4.129 -7.552 6.100 487 1HG PRO 69 HG2 PRO 69 -2.247 -7.136 4.119 488 2HG PRO 69 HG1 PRO 69 -3.632 -6.078 4.439 489 1HD PRO 69 HD2 PRO 69 -0.781 -5.785 5.297 490 2HD PRO 69 HD1 PRO 69 -1.908 -4.548 4.706 491 H LYS 70 HN LYS 70 -0.127 -6.410 7.012 492 HA LYS 70 HA LYS 70 0.490 -8.657 8.670 493 1HB LYS 70 HB2 LYS 70 2.563 -6.548 8.304 494 2HB LYS 70 HB1 LYS 70 2.713 -8.289 8.176 495 1HG LYS 70 HG2 LYS 70 2.619 -8.180 5.978 496 2HG LYS 70 HG1 LYS 70 1.098 -7.291 6.023 497 1HD LYS 70 HD2 LYS 70 2.633 -5.897 4.890 498 2HD LYS 70 HD1 LYS 70 2.500 -5.231 6.519 499 1HE LYS 70 HE2 LYS 70 4.663 -5.570 6.924 500 2HE LYS 70 HE1 LYS 70 4.580 -7.235 6.353 501 1HZ LYS 70 HZ1 LYS 70 4.514 -5.181 4.299 502 2HZ LYS 70 HZ2 LYS 70 5.324 -6.666 4.320 503 3HZ LYS 70 HZ3 LYS 70 5.978 -5.336 5.134 504 H GLN 71 HN GLN 71 0.898 -5.208 8.968 505 HA GLN 71 HA GLN 71 1.019 -5.440 11.903 506 1HB GLN 71 HB2 GLN 71 1.834 -3.000 10.345 507 2HB GLN 71 HB1 GLN 71 2.313 -3.476 11.969 508 1HG GLN 71 HG2 GLN 71 3.874 -4.970 11.221 509 2HG GLN 71 HG1 GLN 71 3.081 -5.194 9.662 510 1HE2 GLN 71 HE21 GLN 71 3.542 -3.825 7.993 511 2HE2 GLN 71 HE22 GLN 71 4.792 -2.633 8.054 512 H ARG 72 HN ARG 72 0.547 -2.601 12.263 513 HA ARG 72 HA ARG 72 -1.793 -1.666 11.118 514 1HB ARG 72 HB2 ARG 72 -3.359 -3.012 11.980 515 2HB ARG 72 HB1 ARG 72 -2.212 -3.765 13.073 516 1HG ARG 72 HG2 ARG 72 -3.951 -2.840 14.387 517 2HG ARG 72 HG1 ARG 72 -2.528 -1.822 14.611 518 1HD ARG 72 HD2 ARG 72 -4.818 -0.692 14.227 519 2HD ARG 72 HD1 ARG 72 -3.415 -0.084 13.353 520 HE ARG 72 HE ARG 72 -4.325 -0.855 11.381 521 1HH1 ARG 72 HH11 ARG 72 -6.190 -2.047 14.084 522 2HH1 ARG 72 HH12 ARG 72 -7.496 -2.606 13.096 523 1HH2 ARG 72 HH21 ARG 72 -6.045 -1.593 10.084 524 2HH2 ARG 72 HH22 ARG 72 -7.415 -2.348 10.826 525 HA PRO 73 HA PRO 73 -0.840 0.821 15.075 526 1HB PRO 73 HB2 PRO 73 0.830 -0.132 16.941 527 2HB PRO 73 HB1 PRO 73 -0.864 -0.631 16.873 528 1HG PRO 73 HG2 PRO 73 1.578 -2.079 15.951 529 2HG PRO 73 HG1 PRO 73 0.132 -2.715 16.753 530 1HD PRO 73 HD2 PRO 73 0.620 -2.836 14.034 531 2HD PRO 73 HD1 PRO 73 -0.981 -2.966 14.781 532 H GLY 74 HN GLY 74 0.462 1.205 12.804 533 1HA GLY 74 HA2 GLY 74 3.328 1.416 13.298 534 2HA GLY 74 HA1 GLY 74 2.501 1.771 11.788 535 1H GLU 180 HT1 GLU 180 20.623 16.717 -0.599 536 2H GLU 180 HT2 GLU 180 20.027 18.169 0.097 537 3H GLU 180 HT3 GLU 180 19.906 17.913 -1.596 538 HA GLU 180 HA GLU 180 18.641 16.131 0.357 539 1HB GLU 180 HB2 GLU 180 16.607 17.452 0.103 540 2HB GLU 180 HB1 GLU 180 17.899 18.450 0.754 541 1HG GLU 180 HG2 GLU 180 18.204 18.915 -1.885 542 2HG GLU 180 HG1 GLU 180 16.465 18.636 -1.801 543 H GLU 181 HN GLU 181 18.032 14.364 -0.691 544 HA GLU 181 HA GLU 181 17.558 14.532 -3.594 545 1HB GLU 181 HB2 GLU 181 18.087 11.973 -2.110 546 2HB GLU 181 HB1 GLU 181 18.298 12.315 -3.821 547 1HG GLU 181 HG2 GLU 181 20.440 12.690 -3.436 548 2HG GLU 181 HG1 GLU 181 19.988 14.093 -2.470 549 H ARG 182 HN ARG 182 15.370 15.232 -3.232 550 HA ARG 182 HA ARG 182 13.599 13.080 -2.274 551 1HB ARG 182 HB2 ARG 182 12.851 15.993 -2.462 552 2HB ARG 182 HB1 ARG 182 12.012 14.712 -1.598 553 1HG ARG 182 HG2 ARG 182 13.506 14.722 0.149 554 2HG ARG 182 HG1 ARG 182 14.807 15.409 -0.826 555 1HD ARG 182 HD2 ARG 182 12.374 16.813 0.257 556 2HD ARG 182 HD1 ARG 182 14.062 17.099 0.681 557 HE ARG 182 HE ARG 182 14.008 17.608 -1.969 558 1HH1 ARG 182 HH11 ARG 182 12.069 18.735 0.705 559 2HH1 ARG 182 HH12 ARG 182 11.740 20.273 -0.019 560 1HH2 ARG 182 HH21 ARG 182 13.578 19.632 -2.923 561 2HH2 ARG 182 HH22 ARG 182 12.597 20.782 -2.078 562 H GLY 183 HN GLY 183 13.320 12.000 -4.206 563 1HA GLY 183 HA2 GLY 183 12.278 13.535 -6.488 564 2HA GLY 183 HA1 GLY 183 12.893 11.889 -6.554 565 H TRP 184 HN TRP 184 11.402 10.338 -6.744 566 HA TRP 184 HA TRP 184 8.630 11.003 -6.032 567 1HB TRP 184 HB2 TRP 184 8.156 8.839 -7.343 568 2HB TRP 184 HB1 TRP 184 8.701 10.236 -8.256 569 HD1 TRP 184 HD1 TRP 184 10.305 9.577 -10.040 570 HE1 TRP 184 HE1 TRP 184 12.185 7.849 -10.340 571 HE3 TRP 184 HE3 TRP 184 10.047 7.250 -5.468 572 HZ2 TRP 184 HZ2 TRP 184 13.394 5.804 -8.861 573 HZ3 TRP 184 HZ3 TRP 184 11.606 5.420 -5.020 574 HH2 TRP 184 HH2 TRP 184 13.245 4.704 -6.675 575 H LYS 185 HN LYS 185 7.610 8.449 -5.702 576 HA LYS 185 HA LYS 185 9.196 7.233 -3.600 577 1HB LYS 185 HB2 LYS 185 7.805 7.625 -1.873 578 2HB LYS 185 HB1 LYS 185 7.456 9.056 -2.805 579 1HG LYS 185 HG2 LYS 185 5.676 7.125 -3.706 580 2HG LYS 185 HG1 LYS 185 5.728 6.952 -1.950 581 1HD LYS 185 HD2 LYS 185 4.791 8.960 -1.594 582 2HD LYS 185 HD1 LYS 185 5.602 9.700 -2.976 583 1HE LYS 185 HE2 LYS 185 3.859 9.332 -4.334 584 2HE LYS 185 HE1 LYS 185 3.628 7.691 -3.734 585 1HZ LYS 185 HZ1 LYS 185 2.511 10.212 -2.688 586 2HZ LYS 185 HZ2 LYS 185 2.644 8.854 -1.690 587 3HZ LYS 185 HZ3 LYS 185 1.706 8.780 -3.096 588 H HIS 186 HN HIS 186 9.154 5.099 -3.603 589 HA HIS 186 HA HIS 186 6.928 3.661 -4.864 590 1HB HIS 186 HB2 HIS 186 8.711 4.027 -6.578 591 2HB HIS 186 HB1 HIS 186 9.825 3.126 -5.557 592 HD1 HIS 186 HD1 HIS 186 7.968 2.606 -8.445 593 HD2 HIS 186 HD2 HIS 186 8.383 0.424 -4.932 594 HE1 HIS 186 HE1 HIS 186 7.279 0.259 -9.027 595 HE2 HIS 186 HE2 HIS 186 7.614 -1.061 -6.907 596 H TRP 187 HN TRP 187 6.358 1.827 -3.793 597 HA TRP 187 HA TRP 187 8.215 0.717 -1.761 598 1HB TRP 187 HB2 TRP 187 5.566 1.829 -1.447 599 2HB TRP 187 HB1 TRP 187 5.591 0.165 -0.923 600 HD1 TRP 187 HD1 TRP 187 6.271 3.579 0.221 601 HE1 TRP 187 HE1 TRP 187 7.298 3.597 2.541 602 HE3 TRP 187 HE3 TRP 187 7.528 -1.374 0.607 603 HZ2 TRP 187 HZ2 TRP 187 8.448 1.752 4.351 604 HZ3 TRP 187 HZ3 TRP 187 8.598 -2.134 2.652 605 HH2 TRP 187 HH2 TRP 187 9.035 -0.605 4.507 606 H VAL 188 HN VAL 188 6.914 -1.314 -0.874 607 HA VAL 188 HA VAL 188 5.512 -2.996 -2.634 608 HB VAL 188 HB VAL 188 8.151 -4.233 -1.981 609 1HG1 VAL 188 HG11 VAL 188 5.845 -5.013 -3.296 610 2HG1 VAL 188 HG12 VAL 188 7.385 -5.872 -3.255 611 3HG1 VAL 188 HG13 VAL 188 7.025 -4.770 -4.585 612 1HG2 VAL 188 HG21 VAL 188 7.793 -2.580 -4.476 613 2HG2 VAL 188 HG22 VAL 188 9.205 -3.531 -4.023 614 3HG2 VAL 188 HG23 VAL 188 8.770 -2.103 -3.087 615 H TYR 189 HN TYR 189 4.167 -3.179 -0.757 616 HA TYR 189 HA TYR 189 5.448 -4.286 1.632 617 1HB TYR 189 HB2 TYR 189 2.774 -3.013 1.121 618 2HB TYR 189 HB1 TYR 189 3.098 -3.934 2.581 619 HD1 TYR 189 HD1 TYR 189 5.670 -3.151 3.484 620 HD2 TYR 189 HD2 TYR 189 2.713 -0.806 1.572 621 HE1 TYR 189 HE1 TYR 189 6.581 -1.136 4.534 622 HE2 TYR 189 HE2 TYR 189 3.616 1.222 2.599 623 HH TYR 189 HH TYR 189 5.572 2.048 3.632 624 H TYR 190 HN TYR 190 5.198 -6.331 2.250 625 HA TYR 190 HA TYR 190 3.296 -7.973 0.729 626 1HB TYR 190 HB2 TYR 190 5.901 -8.760 2.056 627 2HB TYR 190 HB1 TYR 190 4.787 -9.899 1.311 628 HD1 TYR 190 HD1 TYR 190 7.373 -10.115 0.312 629 HD2 TYR 190 HD2 TYR 190 4.478 -7.193 -0.738 630 HE1 TYR 190 HE1 TYR 190 8.499 -9.782 -1.846 631 HE2 TYR 190 HE2 TYR 190 5.588 -6.846 -2.883 632 HH TYR 190 HH TYR 190 8.037 -8.945 -4.053 633 H THR 191 HN THR 191 1.853 -9.306 1.800 634 HA THR 191 HA THR 191 1.473 -8.680 4.606 635 HB THR 191 HB THR 191 -0.598 -9.573 4.508 636 HG1 THR 191 HG1 THR 191 -0.650 -11.594 4.017 637 1HG2 THR 191 HG21 THR 191 -1.603 -9.386 2.206 638 2HG2 THR 191 HG22 THR 191 0.011 -8.953 1.647 639 3HG2 THR 191 HG23 THR 191 -0.812 -7.946 2.839 640 H CYS 192 HN CYS 192 2.064 -9.842 6.300 641 HA CYS 192 HA CYS 192 2.117 -12.344 7.026 642 1HB CYS 192 HB2 CYS 192 3.011 -13.622 5.333 643 2HB CYS 192 HB1 CYS 192 3.871 -12.259 4.625 644 H CYS 193 HN CYS 193 4.689 -10.264 5.985 645 HA CYS 193 HA CYS 193 5.786 -10.248 8.704 646 1HB CYS 193 HB2 CYS 193 7.977 -10.506 7.005 647 2HB CYS 193 HB1 CYS 193 7.281 -11.777 8.009 648 HA PRO 194 HA PRO 194 6.513 -6.018 7.431 649 1HB PRO 194 HB2 PRO 194 6.366 -4.934 9.812 650 2HB PRO 194 HB1 PRO 194 4.948 -5.759 9.148 651 1HG PRO 194 HG2 PRO 194 6.904 -6.723 11.191 652 2HG PRO 194 HG1 PRO 194 5.141 -6.905 11.155 653 1HD PRO 194 HD2 PRO 194 7.031 -8.795 10.268 654 2HD PRO 194 HD1 PRO 194 5.286 -8.820 9.945 655 H ASP 195 HN ASP 195 8.560 -8.103 9.199 656 HA ASP 195 HA ASP 195 10.588 -6.189 9.869 657 1HB ASP 195 HB2 ASP 195 10.269 -9.141 10.058 658 2HB ASP 195 HB1 ASP 195 11.912 -8.506 10.044 659 H THR 196 HN THR 196 9.784 -8.088 7.100 660 HA THR 196 HA THR 196 12.343 -7.353 5.840 661 HB THR 196 HB THR 196 11.335 -9.239 4.172 662 HG1 THR 196 HG1 THR 196 10.406 -10.857 5.391 663 1HG2 THR 196 HG21 THR 196 12.894 -9.919 6.648 664 2HG2 THR 196 HG22 THR 196 13.585 -9.255 5.168 665 3HG2 THR 196 HG23 THR 196 12.820 -10.843 5.149 666 HA PRO 197 HA PRO 197 8.767 -5.039 3.808 667 1HB PRO 197 HB2 PRO 197 9.849 -2.555 4.068 668 2HB PRO 197 HB1 PRO 197 8.804 -3.285 5.292 669 1HG PRO 197 HG2 PRO 197 11.793 -3.116 5.207 670 2HG PRO 197 HG1 PRO 197 10.695 -2.840 6.574 671 1HD PRO 197 HD2 PRO 197 12.048 -5.153 6.264 672 2HD PRO 197 HD1 PRO 197 10.419 -5.096 6.969 673 H TYR 198 HN TYR 198 8.779 -4.376 1.680 674 HA TYR 198 HA TYR 198 11.425 -4.294 0.380 675 1HB TYR 198 HB2 TYR 198 8.859 -5.011 -1.023 676 2HB TYR 198 HB1 TYR 198 10.507 -5.343 -1.535 677 HD1 TYR 198 HD1 TYR 198 8.207 -6.108 1.293 678 HD2 TYR 198 HD2 TYR 198 11.259 -7.498 -1.313 679 HE1 TYR 198 HE1 TYR 198 8.042 -8.324 2.293 680 HE2 TYR 198 HE2 TYR 198 11.101 -9.716 -0.321 681 HH TYR 198 HH TYR 198 8.559 -10.612 1.830 682 H LEU 199 HN LEU 199 11.844 -2.166 0.309 683 HA LEU 199 HA LEU 199 9.754 -0.311 -0.552 684 1HB LEU 199 HB2 LEU 199 12.510 0.282 0.513 685 2HB LEU 199 HB1 LEU 199 11.233 1.445 0.231 686 HG LEU 199 HG LEU 199 9.904 0.365 1.978 687 1HD1 LEU 199 HD11 LEU 199 11.336 -1.077 3.589 688 2HD1 LEU 199 HD12 LEU 199 12.318 -1.384 2.157 689 3HD1 LEU 199 HD13 LEU 199 10.615 -1.835 2.170 690 1HD2 LEU 199 HD21 LEU 199 11.444 2.315 2.352 691 2HD2 LEU 199 HD22 LEU 199 12.603 1.163 3.016 692 3HD2 LEU 199 HD23 LEU 199 11.033 1.379 3.790 693 H ASP 200 HN ASP 200 10.998 1.712 -1.635 694 HA ASP 200 HA ASP 200 12.944 1.094 -3.606 695 1HB ASP 200 HB2 ASP 200 11.009 -0.018 -4.655 696 2HB ASP 200 HB1 ASP 200 10.099 1.486 -4.566 697 H ILE 201 HN ILE 201 13.946 2.911 -2.804 698 HA ILE 201 HA ILE 201 12.719 5.470 -3.564 699 HB ILE 201 HB ILE 201 13.809 6.468 -1.501 700 1HG1 ILE 201 HG12 ILE 201 13.948 4.768 0.413 701 2HG1 ILE 201 HG11 ILE 201 13.990 3.531 -0.840 702 1HG2 ILE 201 HG21 ILE 201 11.480 6.409 -1.501 703 2HG2 ILE 201 HG22 ILE 201 11.918 5.593 -0.001 704 3HG2 ILE 201 HG23 ILE 201 11.430 4.648 -1.407 705 1HD1 ILE 201 HD11 ILE 201 16.079 4.157 -1.571 706 2HD1 ILE 201 HD12 ILE 201 16.198 4.437 0.166 707 3HD1 ILE 201 HD13 ILE 201 15.929 5.793 -0.929 708 H THR 202 HN THR 202 14.716 3.843 -4.898 709 HA THR 202 HA THR 202 17.231 5.238 -4.463 710 HB THR 202 HB THR 202 17.427 2.889 -4.873 711 HG1 THR 202 HG1 THR 202 18.111 4.211 -7.283 712 1HG2 THR 202 HG21 THR 202 15.905 1.823 -6.072 713 2HG2 THR 202 HG22 THR 202 16.711 2.446 -7.512 714 3HG2 THR 202 HG23 THR 202 15.346 3.321 -6.816 715 H GLU 203 HN GLU 203 17.158 7.282 -5.212 716 HA GLU 203 HA GLU 203 16.185 7.710 -7.958 717 1HB GLU 203 HB2 GLU 203 16.055 10.127 -7.281 718 2HB GLU 203 HB1 GLU 203 14.947 9.061 -6.429 719 1HG GLU 203 HG2 GLU 203 17.514 9.400 -5.085 720 2HG GLU 203 HG1 GLU 203 16.599 10.896 -5.270 721 H GLU 204 HN GLU 204 17.932 7.404 -9.234 722 HA GLU 204 HA GLU 204 20.175 9.246 -8.855 723 1HB GLU 204 HB2 GLU 204 21.711 7.336 -9.595 724 2HB GLU 204 HB1 GLU 204 21.130 7.306 -7.936 725 1HG GLU 204 HG2 GLU 204 19.916 5.437 -8.249 726 2HG GLU 204 HG1 GLU 204 19.476 5.867 -9.902 Start of MODEL 7 1 1H ILE 1 HT1 ILE 1 -10.732 14.320 3.739 2 2H ILE 1 HT2 ILE 1 -12.310 13.667 3.564 3 3H ILE 1 HT3 ILE 1 -11.141 13.433 2.330 4 HA ILE 1 HA ILE 1 -11.146 12.313 5.051 5 HB ILE 1 HB ILE 1 -10.778 10.613 2.667 6 1HG1 ILE 1 HG12 ILE 1 -12.607 12.188 1.964 7 2HG1 ILE 1 HG11 ILE 1 -13.114 10.506 2.079 8 1HG2 ILE 1 HG21 ILE 1 -12.235 10.419 5.285 9 2HG2 ILE 1 HG22 ILE 1 -10.795 9.547 4.760 10 3HG2 ILE 1 HG23 ILE 1 -12.360 9.185 4.032 11 1HD1 ILE 1 HD11 ILE 1 -13.628 11.583 4.591 12 2HD1 ILE 1 HD12 ILE 1 -14.799 11.200 3.330 13 3HD1 ILE 1 HD13 ILE 1 -14.125 12.825 3.442 14 H VAL 2 HN VAL 2 -9.434 10.936 5.533 15 HA VAL 2 HA VAL 2 -6.868 11.848 4.441 16 HB VAL 2 HB VAL 2 -7.356 10.134 6.890 17 1HG1 VAL 2 HG11 VAL 2 -5.153 10.588 7.486 18 2HG1 VAL 2 HG12 VAL 2 -5.064 12.024 6.467 19 3HG1 VAL 2 HG13 VAL 2 -5.044 10.423 5.734 20 1HG2 VAL 2 HG21 VAL 2 -7.345 12.103 8.259 21 2HG2 VAL 2 HG22 VAL 2 -8.591 12.298 7.026 22 3HG2 VAL 2 HG23 VAL 2 -7.049 13.137 6.861 23 H CYS 3 HN CYS 3 -5.244 10.139 3.862 24 HA CYS 3 HA CYS 3 -6.386 7.463 3.651 25 1HB CYS 3 HB2 CYS 3 -6.832 9.038 1.568 26 2HB CYS 3 HB1 CYS 3 -5.199 8.526 1.141 27 H HIS 4 HN HIS 4 -4.982 5.861 3.796 28 HA HIS 4 HA HIS 4 -2.164 6.460 4.203 29 1HB HIS 4 HB2 HIS 4 -3.957 4.120 4.673 30 2HB HIS 4 HB1 HIS 4 -2.249 3.791 4.416 31 HD1 HIS 4 HD1 HIS 4 -3.953 3.443 7.123 32 HD2 HIS 4 HD2 HIS 4 -1.232 6.454 6.230 33 HE1 HIS 4 HE1 HIS 4 -3.155 4.309 9.345 34 HE2 HIS 4 HE2 HIS 4 -1.442 6.068 8.779 35 H THR 5 HN THR 5 -0.557 5.021 3.148 36 HA THR 5 HA THR 5 -1.147 3.693 0.748 37 HB THR 5 HB THR 5 -1.515 5.658 -0.412 38 HG1 THR 5 HG1 THR 5 0.056 4.732 -1.590 39 1HG2 THR 5 HG21 THR 5 -1.004 7.251 1.340 40 2HG2 THR 5 HG22 THR 5 -0.240 7.716 -0.180 41 3HG2 THR 5 HG23 THR 5 0.718 6.976 1.099 42 H THR 6 HN THR 6 0.792 2.981 -0.374 43 HA THR 6 HA THR 6 3.148 2.968 1.350 44 HB THR 6 HB THR 6 3.433 0.677 0.805 45 HG1 THR 6 HG1 THR 6 1.268 0.979 -0.979 46 1HG2 THR 6 HG21 THR 6 1.347 -0.394 1.543 47 2HG2 THR 6 HG22 THR 6 0.537 1.167 1.369 48 3HG2 THR 6 HG23 THR 6 1.822 0.973 2.557 49 H ALA 7 HN ALA 7 4.357 4.499 0.200 50 HA ALA 7 HA ALA 7 5.263 3.593 -2.387 51 1HB ALA 7 HB1 ALA 7 3.951 6.279 -2.196 52 2HB ALA 7 HB2 ALA 7 3.177 4.826 -2.822 53 3HB ALA 7 HB3 ALA 7 4.587 5.493 -3.640 54 H THR 8 HN THR 8 5.592 6.258 0.024 55 HA THR 8 HA THR 8 8.146 6.909 -1.196 56 HB THR 8 HB THR 8 6.973 8.798 -0.531 57 HG1 THR 8 HG1 THR 8 9.051 9.163 -0.009 58 1HG2 THR 8 HG21 THR 8 5.915 7.267 1.529 59 2HG2 THR 8 HG22 THR 8 5.594 8.967 1.187 60 3HG2 THR 8 HG23 THR 8 6.858 8.523 2.331 61 H SER 9 HN SER 9 9.099 7.670 1.746 62 HA SER 9 HA SER 9 10.875 5.470 1.886 63 1HB SER 9 HB2 SER 9 10.520 7.221 4.281 64 2HB SER 9 HB1 SER 9 11.997 6.615 3.540 65 HG SER 9 HG SER 9 11.751 8.127 1.892 66 HA PRO 10 HA PRO 10 8.024 3.795 5.234 67 1HB PRO 10 HB2 PRO 10 6.755 5.443 6.885 68 2HB PRO 10 HB1 PRO 10 8.524 5.411 6.899 69 1HG PRO 10 HG2 PRO 10 6.704 7.498 5.893 70 2HG PRO 10 HG1 PRO 10 8.412 7.626 6.349 71 1HD PRO 10 HD2 PRO 10 7.223 7.191 3.700 72 2HD PRO 10 HD1 PRO 10 8.886 7.654 4.112 73 H ILE 11 HN ILE 11 5.459 3.907 6.063 74 HA ILE 11 HA ILE 11 3.907 3.790 3.678 75 HB ILE 11 HB ILE 11 2.612 4.203 6.355 76 1HG1 ILE 11 HG12 ILE 11 2.859 1.492 6.255 77 2HG1 ILE 11 HG11 ILE 11 4.418 1.999 5.609 78 1HG2 ILE 11 HG21 ILE 11 1.058 3.984 4.616 79 2HG2 ILE 11 HG22 ILE 11 1.104 2.400 5.391 80 3HG2 ILE 11 HG23 ILE 11 1.958 2.663 3.870 81 1HD1 ILE 11 HD11 ILE 11 3.689 1.782 8.278 82 2HD1 ILE 11 HD12 ILE 11 3.740 3.516 7.958 83 3HD1 ILE 11 HD13 ILE 11 5.155 2.516 7.629 84 H SER 12 HN SER 12 2.782 5.447 2.638 85 HA SER 12 HA SER 12 3.162 8.110 3.775 86 1HB SER 12 HB2 SER 12 2.238 8.640 1.311 87 2HB SER 12 HB1 SER 12 3.933 8.261 1.612 88 HG SER 12 HG SER 12 2.550 7.045 -0.075 89 H ALA 13 HN ALA 13 1.492 9.657 3.842 90 HA ALA 13 HA ALA 13 -1.246 8.645 3.599 91 1HB ALA 13 HB1 ALA 13 -0.628 8.320 5.934 92 2HB ALA 13 HB2 ALA 13 -1.853 9.579 5.779 93 3HB ALA 13 HB3 ALA 13 -0.168 10.017 6.060 94 H VAL 14 HN VAL 14 -2.443 10.026 2.471 95 HA VAL 14 HA VAL 14 -1.943 12.903 2.720 96 HB VAL 14 HB VAL 14 -2.206 13.168 0.253 97 1HG1 VAL 14 HG11 VAL 14 0.141 11.930 -0.173 98 2HG1 VAL 14 HG12 VAL 14 0.114 11.930 1.590 99 3HG1 VAL 14 HG13 VAL 14 -0.011 13.451 0.707 100 1HG2 VAL 14 HG21 VAL 14 -3.267 10.898 -0.047 101 2HG2 VAL 14 HG22 VAL 14 -1.647 10.215 0.092 102 3HG2 VAL 14 HG23 VAL 14 -2.027 11.324 -1.225 103 H THR 15 HN THR 15 -3.732 14.226 2.242 104 HA THR 15 HA THR 15 -6.294 12.885 2.532 105 HB THR 15 HB THR 15 -6.691 15.656 2.332 106 HG1 THR 15 HG1 THR 15 -4.903 16.525 2.928 107 1HG2 THR 15 HG21 THR 15 -6.554 13.762 4.629 108 2HG2 THR 15 HG22 THR 15 -7.951 14.590 3.940 109 3HG2 THR 15 HG23 THR 15 -6.776 15.490 4.898 110 H CYS 16 HN CYS 16 -7.773 12.684 0.943 111 HA CYS 16 HA CYS 16 -7.037 13.593 -1.728 112 1HB CYS 16 HB2 CYS 16 -9.447 11.911 -1.133 113 2HB CYS 16 HB1 CYS 16 -8.439 11.934 -2.575 114 HA PRO 17 HA PRO 17 -10.106 16.914 -0.529 115 1HB PRO 17 HB2 PRO 17 -9.022 18.667 -2.422 116 2HB PRO 17 HB1 PRO 17 -8.712 18.672 -0.686 117 1HG PRO 17 HG2 PRO 17 -7.059 17.604 -2.898 118 2HG PRO 17 HG1 PRO 17 -6.563 18.264 -1.334 119 1HD PRO 17 HD2 PRO 17 -6.525 15.607 -1.895 120 2HD PRO 17 HD1 PRO 17 -6.792 16.256 -0.265 121 HA PRO 18 HA PRO 18 -11.235 16.901 -5.312 122 1HB PRO 18 HB2 PRO 18 -10.181 14.236 -6.043 123 2HB PRO 18 HB1 PRO 18 -10.147 15.749 -6.955 124 1HG PRO 18 HG2 PRO 18 -7.931 14.766 -5.836 125 2HG PRO 18 HG1 PRO 18 -8.246 16.512 -5.876 126 1HD PRO 18 HD2 PRO 18 -8.572 14.576 -3.614 127 2HD PRO 18 HD1 PRO 18 -7.929 16.225 -3.602 128 H GLY 19 HN GLY 19 -12.516 14.983 -6.633 129 1HA GLY 19 HA2 GLY 19 -14.616 14.238 -4.859 130 2HA GLY 19 HA1 GLY 19 -14.484 13.792 -6.555 131 H GLU 20 HN GLU 20 -11.817 12.584 -6.114 132 HA GLU 20 HA GLU 20 -12.744 9.971 -5.335 133 1HB GLU 20 HB2 GLU 20 -10.610 9.182 -6.139 134 2HB GLU 20 HB1 GLU 20 -11.257 10.334 -7.294 135 1HG GLU 20 HG2 GLU 20 -9.780 12.006 -5.851 136 2HG GLU 20 HG1 GLU 20 -8.879 10.519 -5.551 137 H ASN 21 HN ASN 21 -13.054 9.894 -3.143 138 HA ASN 21 HA ASN 21 -10.691 10.452 -1.466 139 1HB ASN 21 HB2 ASN 21 -13.411 10.364 -0.248 140 2HB ASN 21 HB1 ASN 21 -12.004 11.315 0.217 141 1HD2 ASN 21 HD21 ASN 21 -14.664 11.044 -2.017 142 2HD2 ASN 21 HD22 ASN 21 -14.686 12.704 -2.501 143 H LEU 22 HN LEU 22 -12.264 7.985 -2.833 144 HA LEU 22 HA LEU 22 -12.714 6.250 -0.625 145 1HB LEU 22 HB2 LEU 22 -13.580 6.148 -3.098 146 2HB LEU 22 HB1 LEU 22 -12.122 5.200 -3.347 147 HG LEU 22 HG LEU 22 -14.317 4.588 -1.392 148 1HD1 LEU 22 HD11 LEU 22 -15.005 4.123 -3.659 149 2HD1 LEU 22 HD12 LEU 22 -14.681 2.606 -2.822 150 3HD1 LEU 22 HD13 LEU 22 -13.503 3.251 -3.965 151 1HD2 LEU 22 HD21 LEU 22 -12.419 3.803 -0.352 152 2HD2 LEU 22 HD22 LEU 22 -11.651 3.339 -1.872 153 3HD2 LEU 22 HD23 LEU 22 -13.000 2.394 -1.239 154 H CYS 23 HN CYS 23 -11.344 5.168 0.524 155 HA CYS 23 HA CYS 23 -8.571 5.001 -0.334 156 1HB CYS 23 HB2 CYS 23 -9.979 4.750 2.289 157 2HB CYS 23 HB1 CYS 23 -8.322 4.203 2.116 158 H TYR 24 HN TYR 24 -7.750 3.147 -1.120 159 HA TYR 24 HA TYR 24 -9.333 0.705 -0.691 160 1HB TYR 24 HB2 TYR 24 -8.523 -0.121 -2.801 161 2HB TYR 24 HB1 TYR 24 -9.164 1.500 -3.042 162 HD1 TYR 24 HD1 TYR 24 -6.216 -0.624 -3.268 163 HD2 TYR 24 HD2 TYR 24 -7.594 3.410 -3.315 164 HE1 TYR 24 HE1 TYR 24 -4.114 0.079 -4.301 165 HE2 TYR 24 HE2 TYR 24 -5.486 4.118 -4.346 166 HH TYR 24 HH TYR 24 -3.258 3.420 -4.670 167 H ARG 25 HN ARG 25 -8.278 -1.293 -0.539 168 HA ARG 25 HA ARG 25 -5.506 -1.172 0.441 169 1HB ARG 25 HB2 ARG 25 -7.827 -1.889 1.898 170 2HB ARG 25 HB1 ARG 25 -6.942 -3.379 1.595 171 1HG ARG 25 HG2 ARG 25 -5.293 -1.132 2.501 172 2HG ARG 25 HG1 ARG 25 -6.484 -1.707 3.669 173 1HD ARG 25 HD2 ARG 25 -5.545 -4.063 2.930 174 2HD ARG 25 HD1 ARG 25 -4.128 -3.101 2.508 175 HE ARG 25 HE ARG 25 -3.706 -2.793 4.735 176 1HH1 ARG 25 HH11 ARG 25 -6.935 -4.070 4.342 177 2HH1 ARG 25 HH12 ARG 25 -7.191 -4.290 6.041 178 1HH2 ARG 25 HH21 ARG 25 -4.055 -3.068 6.973 179 2HH2 ARG 25 HH22 ARG 25 -5.556 -3.722 7.534 180 H LYS 26 HN LYS 26 -4.795 -1.775 -1.651 181 HA LYS 26 HA LYS 26 -5.804 -4.132 -2.928 182 1HB LYS 26 HB2 LYS 26 -3.676 -2.130 -3.460 183 2HB LYS 26 HB1 LYS 26 -3.538 -3.690 -4.257 184 1HG LYS 26 HG2 LYS 26 -6.192 -2.462 -4.431 185 2HG LYS 26 HG1 LYS 26 -4.902 -1.562 -5.232 186 1HD LYS 26 HD2 LYS 26 -5.762 -3.036 -6.859 187 2HD LYS 26 HD1 LYS 26 -4.242 -3.751 -6.319 188 1HE LYS 26 HE2 LYS 26 -5.265 -5.579 -5.555 189 2HE LYS 26 HE1 LYS 26 -6.487 -4.629 -4.712 190 1HZ LYS 26 HZ1 LYS 26 -7.568 -4.340 -6.949 191 2HZ LYS 26 HZ2 LYS 26 -7.622 -5.905 -6.311 192 3HZ LYS 26 HZ3 LYS 26 -6.515 -5.530 -7.534 193 H MET 27 HN MET 27 -5.403 -6.119 -2.173 194 HA MET 27 HA MET 27 -2.645 -6.757 -1.412 195 1HB MET 27 HB2 MET 27 -4.859 -8.024 0.138 196 2HB MET 27 HB1 MET 27 -3.185 -7.759 0.598 197 1HG MET 27 HG2 MET 27 -3.864 -6.036 1.798 198 2HG MET 27 HG1 MET 27 -4.259 -5.207 0.297 199 1HE MET 27 HE1 MET 27 -6.825 -8.104 2.469 200 2HE MET 27 HE2 MET 27 -6.548 -6.782 3.603 201 3HE MET 27 HE3 MET 27 -5.179 -7.617 2.872 202 H TRP 28 HN TRP 28 -1.882 -8.507 -2.366 203 HA TRP 28 HA TRP 28 -3.648 -10.711 -3.055 204 1HB TRP 28 HB2 TRP 28 -2.893 -10.877 -5.352 205 2HB TRP 28 HB1 TRP 28 -3.652 -9.316 -5.077 206 HD1 TRP 28 HD1 TRP 28 -0.265 -10.906 -5.782 207 HE1 TRP 28 HE1 TRP 28 1.345 -9.061 -6.608 208 HE3 TRP 28 HE3 TRP 28 -3.208 -6.860 -4.907 209 HZ2 TRP 28 HZ2 TRP 28 1.345 -6.232 -6.838 210 HZ3 TRP 28 HZ3 TRP 28 -2.349 -4.617 -5.438 211 HH2 TRP 28 HH2 TRP 28 -0.114 -4.304 -6.373 212 H CYS 29 HN CYS 29 -1.583 -12.078 -4.627 213 HA CYS 29 HA CYS 29 0.393 -12.434 -2.480 214 1HB CYS 29 HB2 CYS 29 0.279 -14.760 -2.575 215 2HB CYS 29 HB1 CYS 29 -1.398 -14.243 -2.664 216 H ASP 30 HN ASP 30 2.393 -12.209 -2.957 217 HA ASP 30 HA ASP 30 3.369 -12.921 -5.616 218 1HB ASP 30 HB2 ASP 30 2.950 -10.458 -5.615 219 2HB ASP 30 HB1 ASP 30 4.086 -10.306 -4.275 220 H ALA 31 HN ALA 31 4.445 -14.634 -4.879 221 HA ALA 31 HA ALA 31 6.462 -15.571 -4.263 222 1HB ALA 31 HB1 ALA 31 8.138 -14.407 -3.348 223 2HB ALA 31 HB2 ALA 31 7.097 -13.673 -2.138 224 3HB ALA 31 HB3 ALA 31 7.135 -13.023 -3.772 225 H PHE 32 HN PHE 32 4.138 -14.278 -1.846 226 HA PHE 32 HA PHE 32 4.862 -16.262 0.097 227 1HB PHE 32 HB2 PHE 32 3.183 -14.131 0.241 228 2HB PHE 32 HB1 PHE 32 2.022 -15.419 0.013 229 HD1 PHE 32 HD1 PHE 32 5.244 -15.528 1.836 230 HD2 PHE 32 HD2 PHE 32 1.000 -15.600 2.105 231 HE1 PHE 32 HE1 PHE 32 5.409 -16.099 4.225 232 HE2 PHE 32 HE2 PHE 32 1.154 -16.167 4.493 233 HZ PHE 32 HZ PHE 32 3.361 -16.417 5.557 234 H CYS 33 HN CYS 33 2.893 -15.999 -2.706 235 HA CYS 33 HA CYS 33 1.560 -18.500 -2.493 236 1HB CYS 33 HB2 CYS 33 1.894 -16.336 -4.486 237 2HB CYS 33 HB1 CYS 33 1.667 -17.942 -5.180 238 H SER 34 HN SER 34 4.487 -17.217 -3.888 239 HA SER 34 HA SER 34 5.405 -19.835 -4.764 240 1HB SER 34 HB2 SER 34 5.992 -17.075 -5.473 241 2HB SER 34 HB1 SER 34 7.466 -18.000 -5.180 242 HG SER 34 HG SER 34 5.955 -18.033 -7.331 243 H SER 35 HN SER 35 7.191 -17.191 -3.160 244 HA SER 35 HA SER 35 7.968 -19.034 -1.023 245 1HB SER 35 HB2 SER 35 10.324 -18.650 -1.310 246 2HB SER 35 HB1 SER 35 9.649 -19.205 -2.842 247 HG SER 35 HG SER 35 9.964 -17.270 -3.704 248 H ARG 36 HN ARG 36 8.462 -15.634 -2.124 249 HA ARG 36 HA ARG 36 9.264 -14.752 0.434 250 1HB ARG 36 HB2 ARG 36 9.410 -13.678 -2.073 251 2HB ARG 36 HB1 ARG 36 8.261 -12.612 -1.282 252 1HG ARG 36 HG2 ARG 36 9.922 -12.362 0.579 253 2HG ARG 36 HG1 ARG 36 11.079 -13.219 -0.442 254 1HD ARG 36 HD2 ARG 36 9.674 -10.972 -1.726 255 2HD ARG 36 HD1 ARG 36 10.758 -10.526 -0.410 256 HE ARG 36 HE ARG 36 12.562 -11.177 -1.694 257 1HH1 ARG 36 HH11 ARG 36 9.590 -12.121 -3.267 258 2HH1 ARG 36 HH12 ARG 36 10.362 -12.500 -4.769 259 1HH2 ARG 36 HH21 ARG 36 13.574 -11.672 -3.671 260 2HH2 ARG 36 HH22 ARG 36 12.622 -12.246 -4.999 261 H GLY 37 HN GLY 37 6.515 -12.903 -1.008 262 1HA GLY 37 HA2 GLY 37 4.800 -13.722 1.177 263 2HA GLY 37 HA1 GLY 37 5.486 -12.128 1.385 264 H LYS 38 HN LYS 38 2.909 -12.058 1.449 265 HA LYS 38 HA LYS 38 1.612 -11.938 -1.088 266 1HB LYS 38 HB2 LYS 38 0.895 -11.554 1.716 267 2HB LYS 38 HB1 LYS 38 0.085 -10.411 0.656 268 1HG LYS 38 HG2 LYS 38 -1.427 -12.101 0.605 269 2HG LYS 38 HG1 LYS 38 -0.403 -12.604 -0.738 270 1HD LYS 38 HD2 LYS 38 -0.190 -14.558 0.315 271 2HD LYS 38 HD1 LYS 38 0.825 -13.710 1.483 272 1HE LYS 38 HE2 LYS 38 -0.787 -13.686 3.071 273 2HE LYS 38 HE1 LYS 38 -2.089 -13.499 1.898 274 1HZ LYS 38 HZ1 LYS 38 -0.897 -16.038 1.591 275 2HZ LYS 38 HZ2 LYS 38 -2.492 -15.660 2.010 276 3HZ LYS 38 HZ3 LYS 38 -1.316 -15.816 3.215 277 H VAL 39 HN VAL 39 0.430 -9.779 -1.667 278 HA VAL 39 HA VAL 39 2.496 -7.687 -1.606 279 HB VAL 39 HB VAL 39 0.292 -8.137 -3.616 280 1HG1 VAL 39 HG11 VAL 39 0.471 -5.918 -3.958 281 2HG1 VAL 39 HG12 VAL 39 2.028 -6.300 -4.693 282 3HG1 VAL 39 HG13 VAL 39 1.950 -5.799 -3.009 283 1HG2 VAL 39 HG21 VAL 39 2.401 -8.322 -5.106 284 2HG2 VAL 39 HG22 VAL 39 1.923 -9.696 -4.109 285 3HG2 VAL 39 HG23 VAL 39 3.237 -8.642 -3.587 286 H VAL 40 HN VAL 40 2.003 -5.597 -1.146 287 HA VAL 40 HA VAL 40 -0.716 -4.948 -0.302 288 HB VAL 40 HB VAL 40 1.528 -4.028 1.443 289 1HG1 VAL 40 HG11 VAL 40 -0.358 -2.997 2.164 290 2HG1 VAL 40 HG12 VAL 40 -0.525 -4.496 3.078 291 3HG1 VAL 40 HG13 VAL 40 -1.418 -4.276 1.574 292 1HG2 VAL 40 HG21 VAL 40 2.075 -6.216 1.752 293 2HG2 VAL 40 HG22 VAL 40 0.479 -6.793 1.285 294 3HG2 VAL 40 HG23 VAL 40 0.733 -6.109 2.890 295 H GLU 41 HN GLU 41 -1.325 -3.188 -1.263 296 HA GLU 41 HA GLU 41 0.507 -0.938 -1.535 297 1HB GLU 41 HB2 GLU 41 -0.829 -0.575 -3.816 298 2HB GLU 41 HB1 GLU 41 0.708 -1.426 -3.740 299 1HG GLU 41 HG2 GLU 41 -0.292 -3.495 -4.023 300 2HG GLU 41 HG1 GLU 41 -1.875 -2.904 -3.514 301 H LEU 42 HN LEU 42 -0.528 0.312 -0.041 302 HA LEU 42 HA LEU 42 -3.422 0.579 -0.121 303 1HB LEU 42 HB2 LEU 42 -1.698 2.290 1.619 304 2HB LEU 42 HB1 LEU 42 -3.287 1.631 1.937 305 HG LEU 42 HG LEU 42 -0.816 -0.091 1.856 306 1HD1 LEU 42 HD11 LEU 42 -0.224 0.472 3.921 307 2HD1 LEU 42 HD12 LEU 42 -1.893 0.503 4.486 308 3HD1 LEU 42 HD13 LEU 42 -1.208 1.915 3.683 309 1HD2 LEU 42 HD21 LEU 42 -2.182 -1.658 3.080 310 2HD2 LEU 42 HD22 LEU 42 -3.009 -1.194 1.593 311 3HD2 LEU 42 HD23 LEU 42 -3.512 -0.502 3.134 312 H GLY 43 HN GLY 43 -4.519 2.539 -0.648 313 1HA GLY 43 HA2 GLY 43 -3.070 4.895 -1.372 314 2HA GLY 43 HA1 GLY 43 -3.527 3.976 -2.794 315 H CYS 44 HN CYS 44 -4.561 6.166 -3.116 316 HA CYS 44 HA CYS 44 -7.299 6.130 -2.025 317 1HB CYS 44 HB2 CYS 44 -6.018 8.048 -1.162 318 2HB CYS 44 HB1 CYS 44 -5.643 8.541 -2.809 319 H ALA 45 HN ALA 45 -8.967 6.392 -3.471 320 HA ALA 45 HA ALA 45 -8.458 7.143 -6.212 321 1HB ALA 45 HB1 ALA 45 -8.823 5.147 -7.263 322 2HB ALA 45 HB2 ALA 45 -9.762 4.488 -5.925 323 3HB ALA 45 HB3 ALA 45 -8.005 4.579 -5.807 324 H ALA 46 HN ALA 46 -10.641 6.603 -7.489 325 HA ALA 46 HA ALA 46 -12.838 7.615 -5.809 326 1HB ALA 46 HB1 ALA 46 -13.471 8.141 -8.480 327 2HB ALA 46 HB2 ALA 46 -11.762 8.543 -8.319 328 3HB ALA 46 HB3 ALA 46 -12.950 9.301 -7.258 329 H THR 47 HN THR 47 -11.746 5.231 -8.061 330 HA THR 47 HA THR 47 -14.163 3.692 -7.637 331 HB THR 47 HB THR 47 -14.596 4.973 -9.701 332 HG1 THR 47 HG1 THR 47 -14.120 2.202 -10.064 333 1HG2 THR 47 HG21 THR 47 -12.938 3.688 -11.547 334 2HG2 THR 47 HG22 THR 47 -11.888 4.278 -10.255 335 3HG2 THR 47 HG23 THR 47 -12.955 5.398 -11.109 336 H CYS 48 HN CYS 48 -12.433 2.679 -6.357 337 HA CYS 48 HA CYS 48 -10.127 1.519 -7.080 338 1HB CYS 48 HB2 CYS 48 -10.770 -0.418 -5.546 339 2HB CYS 48 HB1 CYS 48 -10.842 1.201 -4.859 340 HA PRO 49 HA PRO 49 -10.592 -1.279 -10.450 341 1HB PRO 49 HB2 PRO 49 -8.809 -3.095 -8.912 342 2HB PRO 49 HB1 PRO 49 -8.635 -2.471 -10.555 343 1HG PRO 49 HG2 PRO 49 -7.148 -1.501 -8.573 344 2HG PRO 49 HG1 PRO 49 -7.792 -0.434 -9.836 345 1HD PRO 49 HD2 PRO 49 -8.723 -0.821 -7.023 346 2HD PRO 49 HD1 PRO 49 -8.646 0.663 -7.994 347 H SER 50 HN SER 50 -10.448 -3.996 -10.479 348 HA SER 50 HA SER 50 -13.035 -4.763 -9.660 349 1HB SER 50 HB2 SER 50 -10.791 -6.641 -10.401 350 2HB SER 50 HB1 SER 50 -12.525 -6.908 -10.577 351 HG SER 50 HG SER 50 -12.551 -5.254 -12.142 352 H LYS 51 HN LYS 51 -13.352 -6.906 -8.410 353 HA LYS 51 HA LYS 51 -12.127 -6.498 -5.824 354 1HB LYS 51 HB2 LYS 51 -13.937 -8.378 -5.274 355 2HB LYS 51 HB1 LYS 51 -14.274 -6.658 -5.281 356 1HG LYS 51 HG2 LYS 51 -16.020 -7.877 -6.426 357 2HG LYS 51 HG1 LYS 51 -15.159 -6.837 -7.555 358 1HD LYS 51 HD2 LYS 51 -13.815 -8.851 -8.212 359 2HD LYS 51 HD1 LYS 51 -14.929 -9.823 -7.252 360 1HE LYS 51 HE2 LYS 51 -15.732 -8.022 -9.532 361 2HE LYS 51 HE1 LYS 51 -15.492 -9.764 -9.665 362 1HZ LYS 51 HZ1 LYS 51 -17.842 -8.625 -9.136 363 2HZ LYS 51 HZ2 LYS 51 -17.295 -8.907 -7.561 364 3HZ LYS 51 HZ3 LYS 51 -17.435 -10.194 -8.650 365 H LYS 52 HN LYS 52 -13.266 -9.659 -6.303 366 HA LYS 52 HA LYS 52 -10.664 -10.673 -5.632 367 1HB LYS 52 HB2 LYS 52 -13.274 -11.352 -4.957 368 2HB LYS 52 HB1 LYS 52 -12.684 -12.708 -5.907 369 1HG LYS 52 HG2 LYS 52 -10.922 -11.634 -3.774 370 2HG LYS 52 HG1 LYS 52 -12.339 -12.572 -3.295 371 1HD LYS 52 HD2 LYS 52 -11.074 -14.384 -3.621 372 2HD LYS 52 HD1 LYS 52 -11.250 -14.062 -5.347 373 1HE LYS 52 HE2 LYS 52 -8.915 -14.353 -4.825 374 2HE LYS 52 HE1 LYS 52 -9.210 -12.670 -5.256 375 1HZ LYS 52 HZ1 LYS 52 -9.403 -13.317 -2.430 376 2HZ LYS 52 HZ2 LYS 52 -8.727 -11.965 -3.187 377 3HZ LYS 52 HZ3 LYS 52 -7.852 -13.409 -3.101 378 HA PRO 53 HA PRO 53 -11.453 -12.437 -10.145 379 1HB PRO 53 HB2 PRO 53 -9.821 -10.177 -11.145 380 2HB PRO 53 HB1 PRO 53 -11.222 -10.962 -11.879 381 1HG PRO 53 HG2 PRO 53 -11.397 -8.531 -10.790 382 2HG PRO 53 HG1 PRO 53 -12.728 -9.694 -10.681 383 1HD PRO 53 HD2 PRO 53 -10.740 -8.886 -8.605 384 2HD PRO 53 HD1 PRO 53 -12.457 -9.287 -8.438 385 H TYR 54 HN TYR 54 -9.025 -11.003 -8.166 386 HA TYR 54 HA TYR 54 -7.277 -13.210 -8.435 387 1HB TYR 54 HB2 TYR 54 -6.842 -12.025 -10.613 388 2HB TYR 54 HB1 TYR 54 -6.216 -10.671 -9.678 389 HD1 TYR 54 HD1 TYR 54 -5.332 -13.574 -11.402 390 HD2 TYR 54 HD2 TYR 54 -4.346 -11.373 -7.892 391 HE1 TYR 54 HE1 TYR 54 -3.120 -14.647 -11.355 392 HE2 TYR 54 HE2 TYR 54 -2.134 -12.441 -7.840 393 HH TYR 54 HH TYR 54 -1.339 -15.130 -9.817 394 H GLU 55 HN GLU 55 -7.735 -9.854 -7.453 395 HA GLU 55 HA GLU 55 -5.912 -10.368 -5.190 396 1HB GLU 55 HB2 GLU 55 -6.588 -7.633 -6.254 397 2HB GLU 55 HB1 GLU 55 -5.287 -8.082 -5.160 398 1HG GLU 55 HG2 GLU 55 -3.901 -8.420 -6.847 399 2HG GLU 55 HG1 GLU 55 -5.034 -9.524 -7.624 400 H GLU 56 HN GLU 56 -6.432 -8.604 -3.398 401 HA GLU 56 HA GLU 56 -9.340 -8.659 -2.931 402 1HB GLU 56 HB2 GLU 56 -7.983 -10.305 -1.549 403 2HB GLU 56 HB1 GLU 56 -7.250 -8.911 -0.768 404 1HG GLU 56 HG2 GLU 56 -8.906 -9.058 0.703 405 2HG GLU 56 HG1 GLU 56 -9.931 -8.378 -0.559 406 H VAL 57 HN VAL 57 -9.591 -6.539 -3.651 407 HA VAL 57 HA VAL 57 -8.078 -4.443 -2.300 408 HB VAL 57 HB VAL 57 -8.397 -4.286 -4.747 409 1HG1 VAL 57 HG11 VAL 57 -11.295 -3.722 -4.174 410 2HG1 VAL 57 HG12 VAL 57 -10.706 -5.296 -4.709 411 3HG1 VAL 57 HG13 VAL 57 -10.506 -3.880 -5.742 412 1HG2 VAL 57 HG21 VAL 57 -9.215 -1.924 -4.763 413 2HG2 VAL 57 HG22 VAL 57 -7.966 -2.257 -3.563 414 3HG2 VAL 57 HG23 VAL 57 -9.653 -2.125 -3.067 415 H THR 58 HN THR 58 -8.820 -3.616 -0.473 416 HA THR 58 HA THR 58 -11.645 -3.877 0.188 417 HB THR 58 HB THR 58 -10.040 -2.487 2.167 418 HG1 THR 58 HG1 THR 58 -8.618 -4.161 2.612 419 1HG2 THR 58 HG21 THR 58 -10.683 -4.465 3.562 420 2HG2 THR 58 HG22 THR 58 -11.544 -5.084 2.152 421 3HG2 THR 58 HG23 THR 58 -12.026 -3.548 2.875 422 H CYS 59 HN CYS 59 -12.781 -2.355 -0.872 423 HA CYS 59 HA CYS 59 -11.802 0.352 -1.112 424 1HB CYS 59 HB2 CYS 59 -14.512 -0.737 -1.890 425 2HB CYS 59 HB1 CYS 59 -13.781 0.770 -2.431 426 H CYS 60 HN CYS 60 -11.879 1.613 0.606 427 HA CYS 60 HA CYS 60 -14.415 1.920 2.012 428 1HB CYS 60 HB2 CYS 60 -13.158 2.040 4.200 429 2HB CYS 60 HB1 CYS 60 -13.265 0.437 3.487 430 H SER 61 HN SER 61 -14.879 4.031 2.438 431 HA SER 61 HA SER 61 -12.828 5.949 1.596 432 1HB SER 61 HB2 SER 61 -15.635 6.838 2.003 433 2HB SER 61 HB1 SER 61 -14.482 7.272 0.742 434 HG SER 61 HG SER 61 -16.133 4.999 0.935 435 H THR 62 HN THR 62 -12.102 5.306 4.039 436 HA THR 62 HA THR 62 -13.123 7.505 5.707 437 HB THR 62 HB THR 62 -12.509 5.875 7.655 438 HG1 THR 62 HG1 THR 62 -13.281 4.058 5.624 439 1HG2 THR 62 HG21 THR 62 -14.671 6.291 7.929 440 2HG2 THR 62 HG22 THR 62 -14.938 4.773 7.071 441 3HG2 THR 62 HG23 THR 62 -14.978 6.301 6.192 442 H ASP 63 HN ASP 63 -11.619 8.507 7.077 443 HA ASP 63 HA ASP 63 -9.173 9.088 6.170 444 1HB ASP 63 HB2 ASP 63 -9.854 8.833 9.105 445 2HB ASP 63 HB1 ASP 63 -8.568 9.822 8.418 446 H LYS 64 HN LYS 64 -7.540 7.930 5.614 447 HA LYS 64 HA LYS 64 -6.069 6.181 5.441 448 1HB LYS 64 HB2 LYS 64 -5.866 6.394 8.429 449 2HB LYS 64 HB1 LYS 64 -4.592 6.070 7.262 450 1HG LYS 64 HG2 LYS 64 -5.847 8.625 6.772 451 2HG LYS 64 HG1 LYS 64 -5.215 8.512 8.415 452 1HD LYS 64 HD2 LYS 64 -3.486 7.531 6.221 453 2HD LYS 64 HD1 LYS 64 -3.714 9.275 6.350 454 1HE LYS 64 HE2 LYS 64 -3.129 7.783 8.830 455 2HE LYS 64 HE1 LYS 64 -1.811 7.983 7.679 456 1HZ LYS 64 HZ1 LYS 64 -1.902 10.291 7.866 457 2HZ LYS 64 HZ2 LYS 64 -2.094 9.756 9.459 458 3HZ LYS 64 HZ3 LYS 64 -3.438 10.280 8.576 459 H CYS 65 HN CYS 65 -8.404 5.016 5.221 460 HA CYS 65 HA CYS 65 -8.777 3.008 7.265 461 1HB CYS 65 HB2 CYS 65 -10.739 2.348 6.118 462 2HB CYS 65 HB1 CYS 65 -10.675 4.105 6.049 463 H ASN 66 HN ASN 66 -6.659 3.225 4.696 464 HA ASN 66 HA ASN 66 -6.671 0.297 4.364 465 1HB ASN 66 HB2 ASN 66 -5.224 0.853 2.279 466 2HB ASN 66 HB1 ASN 66 -6.969 1.055 2.188 467 1HD2 ASN 66 HD21 ASN 66 -4.099 2.912 3.140 468 2HD2 ASN 66 HD22 ASN 66 -4.589 4.372 2.357 469 HA PRO 67 HA PRO 67 -2.667 1.209 6.424 470 1HB PRO 67 HB2 PRO 67 -3.051 0.014 8.742 471 2HB PRO 67 HB1 PRO 67 -3.924 1.514 8.393 472 1HG PRO 67 HG2 PRO 67 -4.902 -1.316 8.224 473 2HG PRO 67 HG1 PRO 67 -5.698 0.099 8.939 474 1HD PRO 67 HD2 PRO 67 -6.148 -0.860 6.367 475 2HD PRO 67 HD1 PRO 67 -6.518 0.781 6.928 476 H HIS 68 HN HIS 68 -1.809 -1.087 8.085 477 HA HIS 68 HA HIS 68 -1.515 -3.050 5.914 478 1HB HIS 68 HB2 HIS 68 0.427 -1.835 7.646 479 2HB HIS 68 HB1 HIS 68 0.449 -3.587 7.857 480 HD1 HIS 68 HD1 HIS 68 1.355 -5.006 5.915 481 HD2 HIS 68 HD2 HIS 68 1.035 -0.947 5.042 482 HE1 HIS 68 HE1 HIS 68 2.413 -4.697 3.661 483 HE2 HIS 68 HE2 HIS 68 1.988 -2.289 3.074 484 HA PRO 69 HA PRO 69 -3.631 -6.010 8.397 485 1HB PRO 69 HB2 PRO 69 -2.924 -8.266 7.080 486 2HB PRO 69 HB1 PRO 69 -4.088 -7.108 6.428 487 1HG PRO 69 HG2 PRO 69 -1.209 -7.493 5.748 488 2HG PRO 69 HG1 PRO 69 -2.572 -7.103 4.687 489 1HD PRO 69 HD2 PRO 69 -0.752 -5.261 5.602 490 2HD PRO 69 HD1 PRO 69 -2.406 -4.864 5.100 491 H LYS 70 HN LYS 70 -0.367 -7.074 7.417 492 HA LYS 70 HA LYS 70 0.018 -8.661 9.741 493 1HB LYS 70 HB2 LYS 70 1.288 -9.212 7.797 494 2HB LYS 70 HB1 LYS 70 1.893 -7.568 7.644 495 1HG LYS 70 HG2 LYS 70 3.531 -9.246 8.506 496 2HG LYS 70 HG1 LYS 70 3.314 -7.820 9.524 497 1HD LYS 70 HD2 LYS 70 3.355 -9.782 10.923 498 2HD LYS 70 HD1 LYS 70 1.715 -9.135 10.904 499 1HE LYS 70 HE2 LYS 70 1.237 -10.748 9.033 500 2HE LYS 70 HE1 LYS 70 2.787 -11.500 9.406 501 1HZ LYS 70 HZ1 LYS 70 1.027 -12.667 10.531 502 2HZ LYS 70 HZ2 LYS 70 0.470 -11.240 11.247 503 3HZ LYS 70 HZ3 LYS 70 1.977 -11.871 11.684 504 H GLN 71 HN GLN 71 1.139 -5.483 8.710 505 HA GLN 71 HA GLN 71 2.344 -4.959 11.305 506 1HB GLN 71 HB2 GLN 71 2.121 -3.264 8.814 507 2HB GLN 71 HB1 GLN 71 2.944 -2.757 10.282 508 1HG GLN 71 HG2 GLN 71 4.635 -4.348 10.022 509 2HG GLN 71 HG1 GLN 71 3.701 -5.277 8.851 510 1HE2 GLN 71 HE21 GLN 71 3.892 -4.823 6.741 511 2HE2 GLN 71 HE22 GLN 71 4.854 -3.544 6.092 512 H ARG 72 HN ARG 72 1.876 -2.797 12.345 513 HA ARG 72 HA ARG 72 0.477 -1.239 13.231 514 1HB ARG 72 HB2 ARG 72 -1.707 -2.209 11.389 515 2HB ARG 72 HB1 ARG 72 -1.622 -0.675 12.243 516 1HG ARG 72 HG2 ARG 72 0.210 -1.548 10.017 517 2HG ARG 72 HG1 ARG 72 -1.133 -0.412 9.872 518 1HD ARG 72 HD2 ARG 72 0.064 0.917 11.716 519 2HD ARG 72 HD1 ARG 72 1.467 -0.078 11.332 520 HE ARG 72 HE ARG 72 0.722 0.871 8.918 521 1HH1 ARG 72 HH11 ARG 72 1.355 2.416 11.983 522 2HH1 ARG 72 HH12 ARG 72 1.899 3.896 11.267 523 1HH2 ARG 72 HH21 ARG 72 1.438 2.817 7.974 524 2HH2 ARG 72 HH22 ARG 72 1.946 4.124 8.992 525 HA PRO 73 HA PRO 73 -1.856 -4.800 15.296 526 1HB PRO 73 HB2 PRO 73 -0.075 -6.364 16.485 527 2HB PRO 73 HB1 PRO 73 -0.397 -6.555 14.755 528 1HG PRO 73 HG2 PRO 73 1.872 -5.145 16.113 529 2HG PRO 73 HG1 PRO 73 1.911 -6.234 14.713 530 1HD PRO 73 HD2 PRO 73 1.916 -3.471 14.557 531 2HD PRO 73 HD1 PRO 73 1.397 -4.562 13.258 532 H GLY 74 HN GLY 74 -0.164 -2.217 15.986 533 1HA GLY 74 HA2 GLY 74 0.567 -2.337 18.675 534 2HA GLY 74 HA1 GLY 74 0.136 -0.875 17.800 535 1H GLU 180 HT1 GLU 180 19.491 13.759 -1.594 536 2H GLU 180 HT2 GLU 180 21.024 13.025 -1.829 537 3H GLU 180 HT3 GLU 180 19.765 12.772 -2.969 538 HA GLU 180 HA GLU 180 21.226 15.259 -2.402 539 1HB GLU 180 HB2 GLU 180 22.375 13.631 -3.818 540 2HB GLU 180 HB1 GLU 180 20.951 13.487 -4.840 541 1HG GLU 180 HG2 GLU 180 21.191 15.843 -5.481 542 2HG GLU 180 HG1 GLU 180 22.645 15.951 -4.488 543 H GLU 181 HN GLU 181 18.587 13.757 -4.251 544 HA GLU 181 HA GLU 181 17.049 16.199 -4.084 545 1HB GLU 181 HB2 GLU 181 18.220 15.208 -6.659 546 2HB GLU 181 HB1 GLU 181 16.670 16.039 -6.662 547 1HG GLU 181 HG2 GLU 181 19.277 17.140 -5.638 548 2HG GLU 181 HG1 GLU 181 18.474 17.577 -7.146 549 H ARG 182 HN ARG 182 17.325 12.931 -5.420 550 HA ARG 182 HA ARG 182 15.842 11.215 -5.558 551 1HB ARG 182 HB2 ARG 182 14.778 12.869 -3.367 552 2HB ARG 182 HB1 ARG 182 13.587 11.834 -4.142 553 1HG ARG 182 HG2 ARG 182 14.320 10.378 -2.579 554 2HG ARG 182 HG1 ARG 182 15.528 10.041 -3.821 555 1HD ARG 182 HD2 ARG 182 16.770 10.316 -1.855 556 2HD ARG 182 HD1 ARG 182 16.930 11.856 -2.698 557 HE ARG 182 HE ARG 182 14.758 12.108 -1.003 558 1HH1 ARG 182 HH11 ARG 182 18.184 11.513 -0.706 559 2HH1 ARG 182 HH12 ARG 182 18.305 12.256 0.854 560 1HH2 ARG 182 HH21 ARG 182 14.914 13.086 1.047 561 2HH2 ARG 182 HH22 ARG 182 16.448 13.150 1.849 562 H GLY 183 HN GLY 183 13.205 10.951 -5.906 563 1HA GLY 183 HA2 GLY 183 12.391 13.007 -7.842 564 2HA GLY 183 HA1 GLY 183 12.486 11.334 -8.366 565 H TRP 184 HN TRP 184 10.984 9.821 -7.561 566 HA TRP 184 HA TRP 184 8.519 11.071 -6.545 567 1HB TRP 184 HB2 TRP 184 7.471 8.917 -7.501 568 2HB TRP 184 HB1 TRP 184 8.078 10.101 -8.644 569 HD1 TRP 184 HD1 TRP 184 9.347 9.072 -10.529 570 HE1 TRP 184 HE1 TRP 184 10.828 7.001 -10.892 571 HE3 TRP 184 HE3 TRP 184 9.212 7.110 -5.780 572 HZ2 TRP 184 HZ2 TRP 184 11.803 4.843 -9.385 573 HZ3 TRP 184 HZ3 TRP 184 10.449 5.043 -5.353 574 HH2 TRP 184 HH2 TRP 184 11.717 3.927 -7.111 575 H LYS 185 HN LYS 185 7.197 8.729 -5.794 576 HA LYS 185 HA LYS 185 8.842 7.630 -3.637 577 1HB LYS 185 HB2 LYS 185 7.610 8.626 -2.064 578 2HB LYS 185 HB1 LYS 185 6.773 9.509 -3.318 579 1HG LYS 185 HG2 LYS 185 5.672 6.880 -2.983 580 2HG LYS 185 HG1 LYS 185 5.694 7.756 -1.469 581 1HD LYS 185 HD2 LYS 185 4.365 8.549 -4.042 582 2HD LYS 185 HD1 LYS 185 3.609 8.189 -2.486 583 1HE LYS 185 HE2 LYS 185 5.150 10.618 -3.325 584 2HE LYS 185 HE1 LYS 185 3.556 10.511 -2.580 585 1HZ LYS 185 HZ1 LYS 185 6.193 10.450 -1.341 586 2HZ LYS 185 HZ2 LYS 185 5.011 9.454 -0.655 587 3HZ LYS 185 HZ3 LYS 185 4.746 11.120 -0.776 588 H HIS 186 HN HIS 186 8.942 5.441 -3.869 589 HA HIS 186 HA HIS 186 6.501 4.035 -4.738 590 1HB HIS 186 HB2 HIS 186 8.074 4.314 -6.661 591 2HB HIS 186 HB1 HIS 186 9.268 3.383 -5.765 592 HD1 HIS 186 HD1 HIS 186 5.735 2.268 -5.555 593 HD2 HIS 186 HD2 HIS 186 9.132 1.392 -7.781 594 HE1 HIS 186 HE1 HIS 186 5.231 0.102 -6.727 595 HE2 HIS 186 HE2 HIS 186 7.275 -0.375 -8.119 596 H TRP 187 HN TRP 187 6.022 2.230 -3.594 597 HA TRP 187 HA TRP 187 8.062 1.165 -1.718 598 1HB TRP 187 HB2 TRP 187 5.363 2.122 -1.254 599 2HB TRP 187 HB1 TRP 187 5.557 0.477 -0.699 600 HD1 TRP 187 HD1 TRP 187 6.324 4.014 0.210 601 HE1 TRP 187 HE1 TRP 187 7.530 4.115 2.453 602 HE3 TRP 187 HE3 TRP 187 7.347 -0.955 0.820 603 HZ2 TRP 187 HZ2 TRP 187 8.727 2.345 4.266 604 HZ3 TRP 187 HZ3 TRP 187 8.527 -1.650 2.832 605 HH2 TRP 187 HH2 TRP 187 9.196 -0.029 4.537 606 H VAL 188 HN VAL 188 7.067 -0.951 -0.814 607 HA VAL 188 HA VAL 188 5.668 -2.673 -2.588 608 HB VAL 188 HB VAL 188 8.457 -3.603 -1.979 609 1HG1 VAL 188 HG11 VAL 188 6.163 -4.712 -3.179 610 2HG1 VAL 188 HG12 VAL 188 7.755 -5.443 -2.975 611 3HG1 VAL 188 HG13 VAL 188 7.382 -4.538 -4.442 612 1HG2 VAL 188 HG21 VAL 188 9.212 -2.930 -4.196 613 2HG2 VAL 188 HG22 VAL 188 8.752 -1.522 -3.239 614 3HG2 VAL 188 HG23 VAL 188 7.668 -2.131 -4.492 615 H TYR 189 HN TYR 189 4.352 -2.855 -0.696 616 HA TYR 189 HA TYR 189 5.674 -4.024 1.646 617 1HB TYR 189 HB2 TYR 189 3.194 -2.481 1.176 618 2HB TYR 189 HB1 TYR 189 3.156 -3.687 2.448 619 HD1 TYR 189 HD1 TYR 189 3.129 -0.485 2.333 620 HD2 TYR 189 HD2 TYR 189 5.941 -3.429 3.513 621 HE1 TYR 189 HE1 TYR 189 4.130 1.127 3.845 622 HE2 TYR 189 HE2 TYR 189 6.981 -1.814 5.052 623 HH TYR 189 HH TYR 189 6.382 0.241 6.247 624 H TYR 190 HN TYR 190 5.313 -6.054 2.330 625 HA TYR 190 HA TYR 190 3.416 -7.663 0.754 626 1HB TYR 190 HB2 TYR 190 5.949 -8.593 2.124 627 2HB TYR 190 HB1 TYR 190 4.847 -9.611 1.208 628 HD1 TYR 190 HD1 TYR 190 7.686 -9.581 0.616 629 HD2 TYR 190 HD2 TYR 190 4.617 -7.028 -0.825 630 HE1 TYR 190 HE1 TYR 190 9.014 -9.157 -1.400 631 HE2 TYR 190 HE2 TYR 190 5.922 -6.592 -2.854 632 HH TYR 190 HH TYR 190 9.118 -7.190 -3.152 633 H THR 191 HN THR 191 2.048 -9.079 1.817 634 HA THR 191 HA THR 191 1.796 -8.605 4.694 635 HB THR 191 HB THR 191 -0.382 -9.126 4.560 636 HG1 THR 191 HG1 THR 191 -0.713 -11.144 4.179 637 1HG2 THR 191 HG21 THR 191 0.277 -8.689 1.685 638 2HG2 THR 191 HG22 THR 191 -0.527 -7.609 2.826 639 3HG2 THR 191 HG23 THR 191 -1.371 -9.029 2.209 640 H CYS 192 HN CYS 192 2.323 -10.044 6.183 641 HA CYS 192 HA CYS 192 2.264 -12.722 6.366 642 1HB CYS 192 HB2 CYS 192 4.157 -13.774 5.331 643 2HB CYS 192 HB1 CYS 192 3.414 -12.820 4.058 644 H CYS 193 HN CYS 193 4.598 -10.184 6.245 645 HA CYS 193 HA CYS 193 5.636 -10.999 8.855 646 1HB CYS 193 HB2 CYS 193 7.399 -10.116 6.584 647 2HB CYS 193 HB1 CYS 193 7.814 -11.098 7.990 648 HA PRO 194 HA PRO 194 5.226 -6.645 9.506 649 1HB PRO 194 HB2 PRO 194 5.575 -6.648 12.133 650 2HB PRO 194 HB1 PRO 194 4.175 -7.450 11.408 651 1HG PRO 194 HG2 PRO 194 6.719 -8.649 12.424 652 2HG PRO 194 HG1 PRO 194 5.051 -9.213 12.637 653 1HD PRO 194 HD2 PRO 194 6.821 -10.162 10.725 654 2HD PRO 194 HD1 PRO 194 5.057 -10.312 10.637 655 H ASP 195 HN ASP 195 8.031 -8.232 9.186 656 HA ASP 195 HA ASP 195 9.613 -5.860 9.866 657 1HB ASP 195 HB2 ASP 195 10.381 -8.708 10.532 658 2HB ASP 195 HB1 ASP 195 11.443 -7.313 10.696 659 H THR 196 HN THR 196 8.515 -6.945 7.363 660 HA THR 196 HA THR 196 11.053 -7.190 5.898 661 HB THR 196 HB THR 196 10.150 -8.850 4.434 662 HG1 THR 196 HG1 THR 196 8.030 -8.151 4.273 663 1HG2 THR 196 HG21 THR 196 10.953 -9.820 6.496 664 2HG2 THR 196 HG22 THR 196 9.551 -10.711 5.902 665 3HG2 THR 196 HG23 THR 196 9.375 -9.583 7.246 666 HA PRO 197 HA PRO 197 8.393 -3.929 4.005 667 1HB PRO 197 HB2 PRO 197 9.626 -1.733 4.846 668 2HB PRO 197 HB1 PRO 197 8.554 -2.633 5.923 669 1HG PRO 197 HG2 PRO 197 11.523 -2.501 5.878 670 2HG PRO 197 HG1 PRO 197 10.427 -2.711 7.253 671 1HD PRO 197 HD2 PRO 197 11.843 -4.740 5.857 672 2HD PRO 197 HD1 PRO 197 10.610 -4.962 7.112 673 H TYR 198 HN TYR 198 8.827 -3.884 1.859 674 HA TYR 198 HA TYR 198 11.571 -3.402 0.963 675 1HB TYR 198 HB2 TYR 198 9.257 -4.109 -0.813 676 2HB TYR 198 HB1 TYR 198 10.966 -4.441 -1.054 677 HD1 TYR 198 HD1 TYR 198 11.850 -6.474 -0.451 678 HD2 TYR 198 HD2 TYR 198 8.072 -5.334 1.104 679 HE1 TYR 198 HE1 TYR 198 11.569 -8.674 0.526 680 HE2 TYR 198 HE2 TYR 198 7.797 -7.543 2.089 681 HH TYR 198 HH TYR 198 9.510 -10.167 1.228 682 H LEU 199 HN LEU 199 12.026 -1.318 0.805 683 HA LEU 199 HA LEU 199 10.013 0.595 -0.135 684 1HB LEU 199 HB2 LEU 199 11.456 0.824 2.000 685 2HB LEU 199 HB1 LEU 199 12.755 1.249 0.909 686 HG LEU 199 HG LEU 199 10.273 2.776 1.582 687 1HD1 LEU 199 HD11 LEU 199 12.465 4.452 1.330 688 2HD1 LEU 199 HD12 LEU 199 13.129 2.977 2.030 689 3HD1 LEU 199 HD13 LEU 199 11.800 3.811 2.832 690 1HD2 LEU 199 HD21 LEU 199 11.898 2.996 -0.933 691 2HD2 LEU 199 HD22 LEU 199 11.025 4.373 -0.264 692 3HD2 LEU 199 HD23 LEU 199 10.145 2.927 -0.752 693 H ASP 200 HN ASP 200 10.174 1.633 -2.064 694 HA ASP 200 HA ASP 200 12.599 1.140 -3.663 695 1HB ASP 200 HB2 ASP 200 10.179 0.189 -4.297 696 2HB ASP 200 HB1 ASP 200 10.043 1.781 -5.037 697 H ILE 201 HN ILE 201 13.704 2.843 -4.344 698 HA ILE 201 HA ILE 201 12.403 5.403 -4.787 699 HB ILE 201 HB ILE 201 13.995 6.655 -3.406 700 1HG1 ILE 201 HG12 ILE 201 15.788 4.908 -3.426 701 2HG1 ILE 201 HG11 ILE 201 15.461 5.571 -1.828 702 1HG2 ILE 201 HG21 ILE 201 11.723 5.695 -2.593 703 2HG2 ILE 201 HG22 ILE 201 12.823 6.438 -1.433 704 3HG2 ILE 201 HG23 ILE 201 12.727 4.682 -1.557 705 1HD1 ILE 201 HD11 ILE 201 15.322 3.476 -1.125 706 2HD1 ILE 201 HD12 ILE 201 15.287 2.850 -2.773 707 3HD1 ILE 201 HD13 ILE 201 13.792 3.372 -1.997 708 H THR 202 HN THR 202 14.359 7.057 -5.315 709 HA THR 202 HA THR 202 16.218 5.645 -7.109 710 HB THR 202 HB THR 202 14.736 8.207 -7.731 711 HG1 THR 202 HG1 THR 202 14.483 5.650 -8.925 712 1HG2 THR 202 HG21 THR 202 15.662 7.365 -10.099 713 2HG2 THR 202 HG22 THR 202 16.981 6.840 -9.051 714 3HG2 THR 202 HG23 THR 202 16.500 8.536 -9.081 715 H GLU 203 HN GLU 203 18.240 6.033 -6.530 716 HA GLU 203 HA GLU 203 18.888 8.332 -4.888 717 1HB GLU 203 HB2 GLU 203 20.814 6.253 -5.917 718 2HB GLU 203 HB1 GLU 203 20.993 7.291 -4.509 719 1HG GLU 203 HG2 GLU 203 18.982 5.071 -4.808 720 2HG GLU 203 HG1 GLU 203 20.487 4.986 -3.892 721 H GLU 204 HN GLU 204 21.434 8.957 -5.570 722 HA GLU 204 HA GLU 204 21.056 10.679 -7.804 723 1HB GLU 204 HB2 GLU 204 23.359 11.380 -7.405 724 2HB GLU 204 HB1 GLU 204 22.471 11.293 -5.891 725 1HG GLU 204 HG2 GLU 204 23.670 9.508 -5.126 726 2HG GLU 204 HG1 GLU 204 24.034 8.917 -6.746 Start of MODEL 8 1 1H ILE 1 HT1 ILE 1 -10.759 13.837 1.699 2 2H ILE 1 HT2 ILE 1 -10.093 14.851 2.913 3 3H ILE 1 HT3 ILE 1 -11.767 14.473 2.931 4 HA ILE 1 HA ILE 1 -10.867 13.147 4.544 5 HB ILE 1 HB ILE 1 -10.681 11.229 2.257 6 1HG1 ILE 1 HG12 ILE 1 -12.508 12.846 1.703 7 2HG1 ILE 1 HG11 ILE 1 -13.079 11.203 1.968 8 1HG2 ILE 1 HG21 ILE 1 -10.599 10.016 4.173 9 2HG2 ILE 1 HG22 ILE 1 -12.350 10.100 3.983 10 3HG2 ILE 1 HG23 ILE 1 -11.531 11.198 5.095 11 1HD1 ILE 1 HD11 ILE 1 -13.585 11.950 4.351 12 2HD1 ILE 1 HD12 ILE 1 -14.625 12.557 3.061 13 3HD1 ILE 1 HD13 ILE 1 -13.372 13.593 3.745 14 H VAL 2 HN VAL 2 -9.349 11.383 5.094 15 HA VAL 2 HA VAL 2 -6.644 12.092 4.215 16 HB VAL 2 HB VAL 2 -7.591 10.458 6.592 17 1HG1 VAL 2 HG11 VAL 2 -4.857 11.423 5.752 18 2HG1 VAL 2 HG12 VAL 2 -5.380 9.769 6.069 19 3HG1 VAL 2 HG13 VAL 2 -5.228 10.916 7.399 20 1HG2 VAL 2 HG21 VAL 2 -8.222 12.507 7.301 21 2HG2 VAL 2 HG22 VAL 2 -7.154 13.350 6.180 22 3HG2 VAL 2 HG23 VAL 2 -6.505 12.671 7.672 23 H CYS 3 HN CYS 3 -5.078 10.127 4.088 24 HA CYS 3 HA CYS 3 -6.231 7.570 3.622 25 1HB CYS 3 HB2 CYS 3 -6.788 9.114 1.560 26 2HB CYS 3 HB1 CYS 3 -5.140 8.715 1.092 27 H HIS 4 HN HIS 4 -4.797 5.973 3.642 28 HA HIS 4 HA HIS 4 -2.006 6.573 4.126 29 1HB HIS 4 HB2 HIS 4 -3.736 4.132 4.201 30 2HB HIS 4 HB1 HIS 4 -2.011 3.903 3.977 31 HD1 HIS 4 HD1 HIS 4 -0.474 4.501 5.982 32 HD2 HIS 4 HD2 HIS 4 -4.535 4.844 6.748 33 HE1 HIS 4 HE1 HIS 4 -0.667 4.704 8.480 34 HE2 HIS 4 HE2 HIS 4 -3.144 4.825 8.927 35 H THR 5 HN THR 5 -0.363 5.223 2.925 36 HA THR 5 HA THR 5 -0.916 4.246 0.354 37 HB THR 5 HB THR 5 -1.256 6.454 -0.414 38 HG1 THR 5 HG1 THR 5 0.561 6.775 -1.771 39 1HG2 THR 5 HG21 THR 5 -0.533 8.128 0.844 40 2HG2 THR 5 HG22 THR 5 0.994 7.951 -0.023 41 3HG2 THR 5 HG23 THR 5 0.764 7.156 1.530 42 H THR 6 HN THR 6 0.861 3.357 -0.647 43 HA THR 6 HA THR 6 3.194 3.020 1.073 44 HB THR 6 HB THR 6 3.429 0.918 -0.238 45 HG1 THR 6 HG1 THR 6 2.352 1.140 -2.072 46 1HG2 THR 6 HG21 THR 6 2.140 1.100 1.934 47 2HG2 THR 6 HG22 THR 6 1.806 -0.307 0.918 48 3HG2 THR 6 HG23 THR 6 0.694 1.062 0.932 49 H ALA 7 HN ALA 7 4.475 4.793 0.243 50 HA ALA 7 HA ALA 7 5.661 4.180 -2.303 51 1HB ALA 7 HB1 ALA 7 4.302 6.822 -2.209 52 2HB ALA 7 HB2 ALA 7 3.445 5.366 -2.702 53 3HB ALA 7 HB3 ALA 7 4.864 5.897 -3.599 54 H THR 8 HN THR 8 5.523 6.822 0.191 55 HA THR 8 HA THR 8 8.015 7.873 -0.748 56 HB THR 8 HB THR 8 7.931 9.498 0.840 57 HG1 THR 8 HG1 THR 8 7.275 9.213 2.914 58 1HG2 THR 8 HG21 THR 8 5.949 10.146 0.020 59 2HG2 THR 8 HG22 THR 8 5.401 9.711 1.637 60 3HG2 THR 8 HG23 THR 8 5.185 8.585 0.304 61 H SER 9 HN SER 9 9.192 8.214 2.054 62 HA SER 9 HA SER 9 10.986 6.019 1.852 63 1HB SER 9 HB2 SER 9 10.698 8.358 3.679 64 2HB SER 9 HB1 SER 9 11.608 6.974 4.282 65 HG SER 9 HG SER 9 12.982 8.409 3.209 66 HA PRO 10 HA PRO 10 8.478 4.091 5.307 67 1HB PRO 10 HB2 PRO 10 7.179 5.595 7.120 68 2HB PRO 10 HB1 PRO 10 8.940 5.455 7.157 69 1HG PRO 10 HG2 PRO 10 7.290 7.761 6.460 70 2HG PRO 10 HG1 PRO 10 9.022 7.697 6.818 71 1HD PRO 10 HD2 PRO 10 7.658 7.691 4.224 72 2HD PRO 10 HD1 PRO 10 9.361 8.006 4.591 73 H ILE 11 HN ILE 11 5.906 4.236 6.321 74 HA ILE 11 HA ILE 11 4.269 4.026 4.019 75 HB ILE 11 HB ILE 11 3.774 3.980 6.958 76 1HG1 ILE 11 HG12 ILE 11 2.246 2.038 5.734 77 2HG1 ILE 11 HG11 ILE 11 3.642 2.171 4.672 78 1HG2 ILE 11 HG21 ILE 11 1.314 3.889 6.581 79 2HG2 ILE 11 HG22 ILE 11 1.596 4.482 4.945 80 3HG2 ILE 11 HG23 ILE 11 2.029 5.483 6.332 81 1HD1 ILE 11 HD11 ILE 11 3.948 0.456 6.374 82 2HD1 ILE 11 HD12 ILE 11 3.740 1.670 7.636 83 3HD1 ILE 11 HD13 ILE 11 5.126 1.757 6.549 84 H SER 12 HN SER 12 3.037 5.550 2.956 85 HA SER 12 HA SER 12 3.367 8.311 3.858 86 1HB SER 12 HB2 SER 12 2.295 8.622 1.429 87 2HB SER 12 HB1 SER 12 4.005 8.266 1.636 88 HG SER 12 HG SER 12 2.976 6.905 0.091 89 H ALA 13 HN ALA 13 1.580 9.773 3.893 90 HA ALA 13 HA ALA 13 -1.103 8.686 3.730 91 1HB ALA 13 HB1 ALA 13 0.247 9.249 6.298 92 2HB ALA 13 HB2 ALA 13 -1.031 8.096 5.914 93 3HB ALA 13 HB3 ALA 13 -1.421 9.801 6.138 94 H VAL 14 HN VAL 14 -2.095 10.154 2.526 95 HA VAL 14 HA VAL 14 -1.928 12.971 3.313 96 HB VAL 14 HB VAL 14 -1.836 13.640 0.905 97 1HG1 VAL 14 HG11 VAL 14 0.677 12.695 0.720 98 2HG1 VAL 14 HG12 VAL 14 0.364 12.404 2.432 99 3HG1 VAL 14 HG13 VAL 14 0.212 14.033 1.771 100 1HG2 VAL 14 HG21 VAL 14 -0.947 10.805 0.407 101 2HG2 VAL 14 HG22 VAL 14 -1.177 12.089 -0.780 102 3HG2 VAL 14 HG23 VAL 14 -2.570 11.396 0.051 103 H THR 15 HN THR 15 -3.613 14.279 2.045 104 HA THR 15 HA THR 15 -6.131 12.835 2.227 105 HB THR 15 HB THR 15 -5.329 15.714 2.184 106 HG1 THR 15 HG1 THR 15 -7.050 14.151 3.797 107 1HG2 THR 15 HG21 THR 15 -7.938 14.689 1.221 108 2HG2 THR 15 HG22 THR 15 -7.054 16.147 0.772 109 3HG2 THR 15 HG23 THR 15 -7.938 16.086 2.298 110 H CYS 16 HN CYS 16 -7.676 12.773 0.558 111 HA CYS 16 HA CYS 16 -6.490 12.729 -2.097 112 1HB CYS 16 HB2 CYS 16 -9.219 11.836 -1.153 113 2HB CYS 16 HB1 CYS 16 -8.555 11.571 -2.762 114 HA PRO 17 HA PRO 17 -8.407 16.432 -3.549 115 1HB PRO 17 HB2 PRO 17 -8.729 15.899 -6.170 116 2HB PRO 17 HB1 PRO 17 -7.130 16.116 -5.446 117 1HG PRO 17 HG2 PRO 17 -8.572 13.585 -6.138 118 2HG PRO 17 HG1 PRO 17 -6.868 14.007 -6.391 119 1HD PRO 17 HD2 PRO 17 -7.740 12.463 -4.319 120 2HD PRO 17 HD1 PRO 17 -6.290 13.482 -4.235 121 HA PRO 18 HA PRO 18 -12.806 16.424 -3.892 122 1HB PRO 18 HB2 PRO 18 -12.698 17.519 -6.654 123 2HB PRO 18 HB1 PRO 18 -13.513 18.156 -5.221 124 1HG PRO 18 HG2 PRO 18 -11.279 19.286 -6.123 125 2HG PRO 18 HG1 PRO 18 -11.574 19.115 -4.383 126 1HD PRO 18 HD2 PRO 18 -9.795 17.512 -6.172 127 2HD PRO 18 HD1 PRO 18 -9.524 18.049 -4.500 128 H GLY 19 HN GLY 19 -11.121 15.166 -6.720 129 1HA GLY 19 HA2 GLY 19 -13.459 13.568 -7.465 130 2HA GLY 19 HA1 GLY 19 -11.993 13.761 -8.416 131 H GLU 20 HN GLU 20 -11.837 13.030 -5.022 132 HA GLU 20 HA GLU 20 -11.771 10.209 -5.231 133 1HB GLU 20 HB2 GLU 20 -9.303 11.654 -5.809 134 2HB GLU 20 HB1 GLU 20 -9.118 10.530 -4.470 135 1HG GLU 20 HG2 GLU 20 -9.469 8.693 -5.778 136 2HG GLU 20 HG1 GLU 20 -10.453 9.575 -6.945 137 H ASN 21 HN ASN 21 -12.336 9.515 -3.271 138 HA ASN 21 HA ASN 21 -11.240 10.838 -0.901 139 1HB ASN 21 HB2 ASN 21 -14.155 10.216 -0.833 140 2HB ASN 21 HB1 ASN 21 -13.252 11.458 0.029 141 1HD2 ASN 21 HD21 ASN 21 -14.181 10.531 -3.243 142 2HD2 ASN 21 HD22 ASN 21 -14.495 12.138 -3.805 143 H LEU 22 HN LEU 22 -11.669 8.054 -2.505 144 HA LEU 22 HA LEU 22 -12.303 6.463 -0.155 145 1HB LEU 22 HB2 LEU 22 -12.667 6.150 -3.022 146 2HB LEU 22 HB1 LEU 22 -11.978 4.719 -2.278 147 HG LEU 22 HG LEU 22 -13.863 4.776 -0.628 148 1HD1 LEU 22 HD11 LEU 22 -14.851 6.806 -0.562 149 2HD1 LEU 22 HD12 LEU 22 -15.888 6.067 -1.784 150 3HD1 LEU 22 HD13 LEU 22 -14.564 7.124 -2.273 151 1HD2 LEU 22 HD21 LEU 22 -15.169 4.561 -3.263 152 2HD2 LEU 22 HD22 LEU 22 -15.078 3.396 -1.941 153 3HD2 LEU 22 HD23 LEU 22 -13.709 3.597 -3.035 154 H CYS 23 HN CYS 23 -11.010 4.689 0.452 155 HA CYS 23 HA CYS 23 -8.197 4.839 -0.410 156 1HB CYS 23 HB2 CYS 23 -9.319 4.298 2.326 157 2HB CYS 23 HB1 CYS 23 -7.637 4.077 1.898 158 H TYR 24 HN TYR 24 -7.879 3.080 -1.674 159 HA TYR 24 HA TYR 24 -9.273 0.614 -0.983 160 1HB TYR 24 HB2 TYR 24 -8.673 -0.201 -3.165 161 2HB TYR 24 HB1 TYR 24 -9.323 1.426 -3.332 162 HD1 TYR 24 HD1 TYR 24 -6.234 -0.607 -3.451 163 HD2 TYR 24 HD2 TYR 24 -7.982 3.218 -4.123 164 HE1 TYR 24 HE1 TYR 24 -4.235 0.083 -4.673 165 HE2 TYR 24 HE2 TYR 24 -5.975 3.918 -5.352 166 HH TYR 24 HH TYR 24 -3.094 2.404 -5.194 167 H ARG 25 HN ARG 25 -8.277 -1.334 -0.722 168 HA ARG 25 HA ARG 25 -5.444 -1.235 0.048 169 1HB ARG 25 HB2 ARG 25 -7.285 -1.649 1.823 170 2HB ARG 25 HB1 ARG 25 -7.432 -3.239 1.086 171 1HG ARG 25 HG2 ARG 25 -5.991 -3.391 2.984 172 2HG ARG 25 HG1 ARG 25 -5.026 -3.613 1.521 173 1HD ARG 25 HD2 ARG 25 -4.743 -0.991 1.767 174 2HD ARG 25 HD1 ARG 25 -5.061 -1.364 3.460 175 HE ARG 25 HE ARG 25 -2.660 -1.858 2.045 176 1HH1 ARG 25 HH11 ARG 25 -4.761 -3.257 4.439 177 2HH1 ARG 25 HH12 ARG 25 -3.489 -4.081 5.262 178 1HH2 ARG 25 HH21 ARG 25 -0.967 -2.905 3.123 179 2HH2 ARG 25 HH22 ARG 25 -1.313 -3.894 4.495 180 H LYS 26 HN LYS 26 -4.699 -1.826 -2.017 181 HA LYS 26 HA LYS 26 -5.691 -4.271 -3.216 182 1HB LYS 26 HB2 LYS 26 -5.165 -2.524 -4.745 183 2HB LYS 26 HB1 LYS 26 -3.582 -2.276 -4.026 184 1HG LYS 26 HG2 LYS 26 -2.747 -3.602 -5.591 185 2HG LYS 26 HG1 LYS 26 -3.603 -4.947 -4.847 186 1HD LYS 26 HD2 LYS 26 -4.823 -3.110 -6.892 187 2HD LYS 26 HD1 LYS 26 -4.040 -4.643 -7.291 188 1HE LYS 26 HE2 LYS 26 -5.676 -5.547 -5.423 189 2HE LYS 26 HE1 LYS 26 -6.606 -4.120 -5.885 190 1HZ LYS 26 HZ1 LYS 26 -6.023 -6.538 -7.421 191 2HZ LYS 26 HZ2 LYS 26 -6.115 -5.082 -8.277 192 3HZ LYS 26 HZ3 LYS 26 -7.436 -5.608 -7.363 193 H MET 27 HN MET 27 -4.723 -6.226 -3.202 194 HA MET 27 HA MET 27 -1.984 -6.531 -2.409 195 1HB MET 27 HB2 MET 27 -3.340 -8.297 -0.639 196 2HB MET 27 HB1 MET 27 -2.243 -6.984 -0.243 197 1HG MET 27 HG2 MET 27 -3.989 -5.463 0.065 198 2HG MET 27 HG1 MET 27 -5.146 -6.485 -0.784 199 1HE MET 27 HE1 MET 27 -3.337 -7.591 3.287 200 2HE MET 27 HE2 MET 27 -2.535 -6.741 1.965 201 3HE MET 27 HE3 MET 27 -2.835 -8.474 1.845 202 H TRP 28 HN TRP 28 -1.130 -8.174 -3.451 203 HA TRP 28 HA TRP 28 -2.856 -10.399 -4.290 204 1HB TRP 28 HB2 TRP 28 -1.685 -10.478 -6.442 205 2HB TRP 28 HB1 TRP 28 -2.471 -8.921 -6.211 206 HD1 TRP 28 HD1 TRP 28 1.019 -10.511 -6.183 207 HE1 TRP 28 HE1 TRP 28 2.759 -8.642 -6.567 208 HE3 TRP 28 HE3 TRP 28 -2.100 -6.510 -6.033 209 HZ2 TRP 28 HZ2 TRP 28 2.778 -5.813 -6.772 210 HZ3 TRP 28 HZ3 TRP 28 -1.167 -4.255 -6.324 211 HH2 TRP 28 HH2 TRP 28 1.225 -3.906 -6.675 212 H CYS 29 HN CYS 29 -0.751 -11.818 -5.595 213 HA CYS 29 HA CYS 29 0.786 -12.613 -3.221 214 1HB CYS 29 HB2 CYS 29 -0.820 -14.177 -4.720 215 2HB CYS 29 HB1 CYS 29 0.699 -14.407 -5.579 216 H ASP 30 HN ASP 30 2.770 -11.955 -3.124 217 HA ASP 30 HA ASP 30 4.434 -12.177 -5.506 218 1HB ASP 30 HB2 ASP 30 3.520 -9.698 -4.580 219 2HB ASP 30 HB1 ASP 30 5.186 -9.820 -4.019 220 H ALA 31 HN ALA 31 5.533 -13.840 -4.728 221 HA ALA 31 HA ALA 31 7.451 -14.647 -3.766 222 1HB ALA 31 HB1 ALA 31 7.546 -13.085 -1.363 223 2HB ALA 31 HB2 ALA 31 7.565 -12.080 -2.806 224 3HB ALA 31 HB3 ALA 31 8.771 -13.340 -2.593 225 H PHE 32 HN PHE 32 4.543 -13.926 -1.810 226 HA PHE 32 HA PHE 32 5.136 -15.936 0.137 227 1HB PHE 32 HB2 PHE 32 3.178 -14.079 0.008 228 2HB PHE 32 HB1 PHE 32 2.292 -15.468 -0.582 229 HD1 PHE 32 HD1 PHE 32 0.808 -15.801 1.211 230 HD2 PHE 32 HD2 PHE 32 4.995 -15.529 1.940 231 HE1 PHE 32 HE1 PHE 32 0.451 -16.568 3.522 232 HE2 PHE 32 HE2 PHE 32 4.643 -16.296 4.255 233 HZ PHE 32 HZ PHE 32 2.370 -16.817 5.047 234 H CYS 33 HN CYS 33 3.804 -15.780 -3.023 235 HA CYS 33 HA CYS 33 2.980 -18.533 -3.104 236 1HB CYS 33 HB2 CYS 33 3.067 -16.236 -5.046 237 2HB CYS 33 HB1 CYS 33 2.850 -17.880 -5.651 238 H SER 34 HN SER 34 5.646 -16.482 -3.985 239 HA SER 34 HA SER 34 7.154 -18.678 -5.152 240 1HB SER 34 HB2 SER 34 7.812 -16.962 -6.455 241 2HB SER 34 HB1 SER 34 7.253 -15.757 -5.298 242 HG SER 34 HG SER 34 9.609 -15.911 -5.739 243 H SER 35 HN SER 35 8.224 -16.091 -2.922 244 HA SER 35 HA SER 35 9.195 -18.137 -1.073 245 1HB SER 35 HB2 SER 35 11.431 -17.176 -0.979 246 2HB SER 35 HB1 SER 35 11.035 -17.679 -2.622 247 HG SER 35 HG SER 35 11.567 -15.713 -3.123 248 H ARG 36 HN ARG 36 9.001 -14.546 -1.466 249 HA ARG 36 HA ARG 36 9.276 -14.170 1.355 250 1HB ARG 36 HB2 ARG 36 8.332 -11.922 -0.374 251 2HB ARG 36 HB1 ARG 36 9.366 -11.893 1.034 252 1HG ARG 36 HG2 ARG 36 11.041 -13.169 -0.470 253 2HG ARG 36 HG1 ARG 36 10.051 -12.545 -1.789 254 1HD ARG 36 HD2 ARG 36 11.455 -10.787 -1.636 255 2HD ARG 36 HD1 ARG 36 10.331 -10.300 -0.366 256 HE ARG 36 HE ARG 36 12.296 -11.895 0.806 257 1HH1 ARG 36 HH11 ARG 36 12.043 -8.800 -0.786 258 2HH1 ARG 36 HH12 ARG 36 13.380 -8.108 0.070 259 1HH2 ARG 36 HH21 ARG 36 14.057 -10.987 1.933 260 2HH2 ARG 36 HH22 ARG 36 14.525 -9.351 1.612 261 H GLY 37 HN GLY 37 6.618 -12.376 -0.305 262 1HA GLY 37 HA2 GLY 37 4.667 -13.857 1.224 263 2HA GLY 37 HA1 GLY 37 5.016 -12.279 1.876 264 H LYS 38 HN LYS 38 2.766 -11.862 1.565 265 HA LYS 38 HA LYS 38 1.836 -11.623 -1.178 266 1HB LYS 38 HB2 LYS 38 0.597 -11.917 1.398 267 2HB LYS 38 HB1 LYS 38 -0.027 -10.467 0.623 268 1HG LYS 38 HG2 LYS 38 -1.258 -11.642 -0.803 269 2HG LYS 38 HG1 LYS 38 0.090 -12.704 -1.212 270 1HD LYS 38 HD2 LYS 38 -1.334 -14.214 -0.247 271 2HD LYS 38 HD1 LYS 38 -0.415 -13.706 1.172 272 1HE LYS 38 HE2 LYS 38 -2.728 -13.697 1.761 273 2HE LYS 38 HE1 LYS 38 -2.201 -12.021 1.627 274 1HZ LYS 38 HZ1 LYS 38 -4.120 -13.488 0.034 275 2HZ LYS 38 HZ2 LYS 38 -3.070 -12.506 -0.856 276 3HZ LYS 38 HZ3 LYS 38 -4.027 -11.831 0.364 277 H VAL 39 HN VAL 39 1.695 -9.740 -2.271 278 HA VAL 39 HA VAL 39 3.032 -7.449 -1.119 279 HB VAL 39 HB VAL 39 2.144 -8.270 -3.827 280 1HG1 VAL 39 HG11 VAL 39 1.183 -6.188 -4.071 281 2HG1 VAL 39 HG12 VAL 39 2.852 -5.826 -4.512 282 3HG1 VAL 39 HG13 VAL 39 2.263 -5.428 -2.902 283 1HG2 VAL 39 HG21 VAL 39 4.462 -8.541 -2.812 284 2HG2 VAL 39 HG22 VAL 39 4.626 -6.793 -2.972 285 3HG2 VAL 39 HG23 VAL 39 4.387 -7.790 -4.406 286 H VAL 40 HN VAL 40 2.202 -5.413 -0.832 287 HA VAL 40 HA VAL 40 -0.696 -5.081 -1.041 288 HB VAL 40 HB VAL 40 0.576 -4.018 1.432 289 1HG1 VAL 40 HG11 VAL 40 -2.122 -4.836 0.489 290 2HG1 VAL 40 HG12 VAL 40 -1.615 -3.384 1.353 291 3HG1 VAL 40 HG13 VAL 40 -1.781 -4.910 2.219 292 1HG2 VAL 40 HG21 VAL 40 1.402 -6.134 1.804 293 2HG2 VAL 40 HG22 VAL 40 0.099 -6.918 0.912 294 3HG2 VAL 40 HG23 VAL 40 -0.203 -6.263 2.521 295 H GLU 41 HN GLU 41 -1.294 -3.133 -1.748 296 HA GLU 41 HA GLU 41 0.646 -0.928 -1.631 297 1HB GLU 41 HB2 GLU 41 -0.857 -0.276 -3.818 298 2HB GLU 41 HB1 GLU 41 0.747 -0.991 -3.870 299 1HG GLU 41 HG2 GLU 41 -0.137 -3.146 -4.258 300 2HG GLU 41 HG1 GLU 41 -1.776 -2.613 -3.876 301 H LEU 42 HN LEU 42 -0.121 0.962 -0.893 302 HA LEU 42 HA LEU 42 -2.965 1.084 -0.169 303 1HB LEU 42 HB2 LEU 42 -0.556 2.601 0.818 304 2HB LEU 42 HB1 LEU 42 -2.198 2.979 1.307 305 HG LEU 42 HG LEU 42 -0.747 0.398 1.802 306 1HD1 LEU 42 HD11 LEU 42 -0.124 1.150 3.804 307 2HD1 LEU 42 HD12 LEU 42 -1.669 1.955 4.085 308 3HD1 LEU 42 HD13 LEU 42 -0.419 2.754 3.132 309 1HD2 LEU 42 HD21 LEU 42 -2.728 -0.063 3.274 310 2HD2 LEU 42 HD22 LEU 42 -3.053 -0.095 1.540 311 3HD2 LEU 42 HD23 LEU 42 -3.525 1.306 2.499 312 H GLY 43 HN GLY 43 -4.286 2.320 -1.392 313 1HA GLY 43 HA2 GLY 43 -3.167 4.771 -2.557 314 2HA GLY 43 HA1 GLY 43 -3.868 3.598 -3.653 315 H CYS 44 HN CYS 44 -4.931 5.929 -3.878 316 HA CYS 44 HA CYS 44 -7.396 5.926 -2.267 317 1HB CYS 44 HB2 CYS 44 -5.973 7.953 -2.043 318 2HB CYS 44 HB1 CYS 44 -6.140 8.232 -3.772 319 H ALA 45 HN ALA 45 -9.383 6.482 -3.383 320 HA ALA 45 HA ALA 45 -9.364 6.343 -6.287 321 1HB ALA 45 HB1 ALA 45 -10.252 4.128 -4.542 322 2HB ALA 45 HB2 ALA 45 -9.590 4.093 -6.176 323 3HB ALA 45 HB3 ALA 45 -11.282 4.517 -5.921 324 H ALA 46 HN ALA 46 -11.711 6.403 -7.111 325 HA ALA 46 HA ALA 46 -13.280 8.217 -5.397 326 1HB ALA 46 HB1 ALA 46 -13.075 9.753 -6.992 327 2HB ALA 46 HB2 ALA 46 -13.998 8.701 -8.065 328 3HB ALA 46 HB3 ALA 46 -12.236 8.615 -8.046 329 H THR 47 HN THR 47 -13.272 5.571 -7.683 330 HA THR 47 HA THR 47 -15.838 4.689 -6.710 331 HB THR 47 HB THR 47 -16.430 6.220 -8.572 332 HG1 THR 47 HG1 THR 47 -16.901 3.454 -8.904 333 1HG2 THR 47 HG21 THR 47 -15.830 4.693 -10.822 334 2HG2 THR 47 HG22 THR 47 -14.319 4.827 -9.920 335 3HG2 THR 47 HG23 THR 47 -15.193 6.283 -10.401 336 H CYS 48 HN CYS 48 -13.500 3.531 -6.242 337 HA CYS 48 HA CYS 48 -12.300 1.756 -7.885 338 1HB CYS 48 HB2 CYS 48 -11.802 0.408 -5.930 339 2HB CYS 48 HB1 CYS 48 -11.744 2.117 -5.504 340 HA PRO 49 HA PRO 49 -15.407 -1.251 -8.931 341 1HB PRO 49 HB2 PRO 49 -13.677 -3.004 -10.188 342 2HB PRO 49 HB1 PRO 49 -14.353 -1.550 -10.921 343 1HG PRO 49 HG2 PRO 49 -11.625 -2.076 -10.208 344 2HG PRO 49 HG1 PRO 49 -12.298 -0.628 -10.969 345 1HD PRO 49 HD2 PRO 49 -11.571 -1.101 -8.155 346 2HD PRO 49 HD1 PRO 49 -11.774 0.430 -9.029 347 H SER 50 HN SER 50 -15.096 -3.942 -9.203 348 HA SER 50 HA SER 50 -14.961 -4.800 -6.435 349 1HB SER 50 HB2 SER 50 -15.635 -6.494 -8.845 350 2HB SER 50 HB1 SER 50 -16.050 -6.802 -7.159 351 HG SER 50 HG SER 50 -17.471 -5.081 -7.217 352 H LYS 51 HN LYS 51 -13.966 -7.015 -6.015 353 HA LYS 51 HA LYS 51 -11.216 -6.938 -6.965 354 1HB LYS 51 HB2 LYS 51 -10.701 -8.412 -5.153 355 2HB LYS 51 HB1 LYS 51 -11.763 -7.156 -4.534 356 1HG LYS 51 HG2 LYS 51 -13.627 -8.927 -5.091 357 2HG LYS 51 HG1 LYS 51 -12.276 -10.052 -4.932 358 1HD LYS 51 HD2 LYS 51 -12.627 -7.984 -2.832 359 2HD LYS 51 HD1 LYS 51 -13.756 -9.338 -2.853 360 1HE LYS 51 HE2 LYS 51 -10.759 -9.431 -2.593 361 2HE LYS 51 HE1 LYS 51 -11.960 -9.928 -1.403 362 1HZ LYS 51 HZ1 LYS 51 -11.317 -11.920 -2.314 363 2HZ LYS 51 HZ2 LYS 51 -11.120 -11.289 -3.870 364 3HZ LYS 51 HZ3 LYS 51 -12.674 -11.562 -3.260 365 H LYS 52 HN LYS 52 -10.109 -8.828 -7.677 366 HA LYS 52 HA LYS 52 -11.777 -10.476 -9.403 367 1HB LYS 52 HB2 LYS 52 -9.052 -9.492 -9.457 368 2HB LYS 52 HB1 LYS 52 -9.099 -11.226 -9.740 369 1HG LYS 52 HG2 LYS 52 -10.844 -10.777 -11.498 370 2HG LYS 52 HG1 LYS 52 -10.467 -9.063 -11.312 371 1HD LYS 52 HD2 LYS 52 -9.077 -9.637 -13.054 372 2HD LYS 52 HD1 LYS 52 -8.005 -9.873 -11.672 373 1HE LYS 52 HE2 LYS 52 -8.033 -12.146 -11.863 374 2HE LYS 52 HE1 LYS 52 -9.657 -12.177 -12.550 375 1HZ LYS 52 HZ1 LYS 52 -8.170 -12.786 -14.261 376 2HZ LYS 52 HZ2 LYS 52 -7.124 -11.498 -13.932 377 3HZ LYS 52 HZ3 LYS 52 -8.648 -11.199 -14.604 378 HA PRO 53 HA PRO 53 -11.381 -14.197 -7.072 379 1HB PRO 53 HB2 PRO 53 -10.828 -16.112 -8.884 380 2HB PRO 53 HB1 PRO 53 -12.385 -15.276 -8.847 381 1HG PRO 53 HG2 PRO 53 -10.025 -14.806 -10.627 382 2HG PRO 53 HG1 PRO 53 -11.749 -14.843 -11.041 383 1HD PRO 53 HD2 PRO 53 -10.339 -12.535 -10.667 384 2HD PRO 53 HD1 PRO 53 -12.081 -12.675 -10.368 385 H TYR 54 HN TYR 54 -8.639 -12.884 -8.496 386 HA TYR 54 HA TYR 54 -6.901 -14.858 -7.169 387 1HB TYR 54 HB2 TYR 54 -6.607 -14.843 -9.610 388 2HB TYR 54 HB1 TYR 54 -6.255 -13.119 -9.558 389 HD1 TYR 54 HD1 TYR 54 -4.959 -16.471 -8.970 390 HD2 TYR 54 HD2 TYR 54 -4.141 -12.313 -8.593 391 HE1 TYR 54 HE1 TYR 54 -2.577 -16.977 -8.634 392 HE2 TYR 54 HE2 TYR 54 -1.755 -12.807 -8.257 393 HH TYR 54 HH TYR 54 -0.204 -15.012 -9.044 394 H GLU 55 HN GLU 55 -7.684 -11.477 -7.584 395 HA GLU 55 HA GLU 55 -5.548 -10.783 -5.679 396 1HB GLU 55 HB2 GLU 55 -6.980 -9.020 -7.673 397 2HB GLU 55 HB1 GLU 55 -5.760 -8.472 -6.532 398 1HG GLU 55 HG2 GLU 55 -4.080 -9.816 -7.602 399 2HG GLU 55 HG1 GLU 55 -5.285 -10.537 -8.669 400 H GLU 56 HN GLU 56 -6.016 -9.464 -3.917 401 HA GLU 56 HA GLU 56 -8.880 -9.267 -3.258 402 1HB GLU 56 HB2 GLU 56 -7.390 -10.826 -1.876 403 2HB GLU 56 HB1 GLU 56 -6.643 -9.367 -1.242 404 1HG GLU 56 HG2 GLU 56 -8.811 -8.623 -0.399 405 2HG GLU 56 HG1 GLU 56 -9.558 -10.089 -1.032 406 H VAL 57 HN VAL 57 -9.541 -7.240 -3.523 407 HA VAL 57 HA VAL 57 -7.781 -5.075 -2.577 408 HB VAL 57 HB VAL 57 -8.039 -5.047 -5.025 409 1HG1 VAL 57 HG11 VAL 57 -10.969 -4.645 -4.443 410 2HG1 VAL 57 HG12 VAL 57 -10.237 -6.057 -5.205 411 3HG1 VAL 57 HG13 VAL 57 -10.206 -4.498 -6.026 412 1HG2 VAL 57 HG21 VAL 57 -8.730 -2.698 -5.230 413 2HG2 VAL 57 HG22 VAL 57 -7.671 -2.956 -3.843 414 3HG2 VAL 57 HG23 VAL 57 -9.408 -2.766 -3.604 415 H THR 58 HN THR 58 -8.570 -3.754 -1.071 416 HA THR 58 HA THR 58 -11.370 -4.098 -0.274 417 HB THR 58 HB THR 58 -9.305 -2.592 1.309 418 HG1 THR 58 HG1 THR 58 -8.583 -4.459 2.179 419 1HG2 THR 58 HG21 THR 58 -10.562 -3.329 3.222 420 2HG2 THR 58 HG22 THR 58 -11.632 -4.280 2.192 421 3HG2 THR 58 HG23 THR 58 -11.635 -2.519 2.081 422 H CYS 59 HN CYS 59 -12.608 -2.200 0.348 423 HA CYS 59 HA CYS 59 -11.693 0.321 -0.824 424 1HB CYS 59 HB2 CYS 59 -14.145 -1.215 -1.618 425 2HB CYS 59 HB1 CYS 59 -14.123 0.541 -1.735 426 H CYS 60 HN CYS 60 -11.945 1.892 0.602 427 HA CYS 60 HA CYS 60 -14.297 1.885 2.348 428 1HB CYS 60 HB2 CYS 60 -12.923 2.385 4.317 429 2HB CYS 60 HB1 CYS 60 -12.511 0.820 3.624 430 H SER 61 HN SER 61 -14.747 4.003 3.323 431 HA SER 61 HA SER 61 -13.505 6.203 1.803 432 1HB SER 61 HB2 SER 61 -15.616 7.227 1.433 433 2HB SER 61 HB1 SER 61 -15.817 5.527 1.009 434 HG SER 61 HG SER 61 -16.602 5.302 3.257 435 H THR 62 HN THR 62 -12.480 5.704 4.254 436 HA THR 62 HA THR 62 -13.477 7.986 5.800 437 HB THR 62 HB THR 62 -14.194 6.581 7.385 438 HG1 THR 62 HG1 THR 62 -11.476 5.937 7.792 439 1HG2 THR 62 HG21 THR 62 -14.449 4.528 6.539 440 2HG2 THR 62 HG22 THR 62 -13.030 4.170 7.521 441 3HG2 THR 62 HG23 THR 62 -12.848 4.515 5.803 442 H ASP 63 HN ASP 63 -11.874 9.009 7.154 443 HA ASP 63 HA ASP 63 -9.519 9.624 5.988 444 1HB ASP 63 HB2 ASP 63 -10.070 9.480 8.959 445 2HB ASP 63 HB1 ASP 63 -8.722 10.345 8.226 446 H LYS 64 HN LYS 64 -7.767 8.587 5.499 447 HA LYS 64 HA LYS 64 -6.358 6.785 5.222 448 1HB LYS 64 HB2 LYS 64 -5.096 6.453 7.504 449 2HB LYS 64 HB1 LYS 64 -4.918 7.928 6.569 450 1HG LYS 64 HG2 LYS 64 -6.061 9.182 8.083 451 2HG LYS 64 HG1 LYS 64 -7.064 7.832 8.609 452 1HD LYS 64 HD2 LYS 64 -5.364 6.934 9.930 453 2HD LYS 64 HD1 LYS 64 -4.131 7.944 9.170 454 1HE LYS 64 HE2 LYS 64 -6.186 9.596 10.299 455 2HE LYS 64 HE1 LYS 64 -5.590 8.473 11.521 456 1HZ LYS 64 HZ1 LYS 64 -4.426 10.787 11.010 457 2HZ LYS 64 HZ2 LYS 64 -3.585 9.829 9.898 458 3HZ LYS 64 HZ3 LYS 64 -3.560 9.434 11.543 459 H CYS 65 HN CYS 65 -8.865 5.717 5.491 460 HA CYS 65 HA CYS 65 -8.978 3.719 7.516 461 1HB CYS 65 HB2 CYS 65 -10.917 2.882 6.231 462 2HB CYS 65 HB1 CYS 65 -11.010 4.603 6.589 463 H ASN 66 HN ASN 66 -6.842 3.839 5.055 464 HA ASN 66 HA ASN 66 -7.073 0.974 4.447 465 1HB ASN 66 HB2 ASN 66 -5.507 1.515 2.533 466 2HB ASN 66 HB1 ASN 66 -7.120 2.212 2.420 467 1HD2 ASN 66 HD21 ASN 66 -4.555 3.003 1.222 468 2HD2 ASN 66 HD22 ASN 66 -4.326 4.653 1.677 469 HA PRO 67 HA PRO 67 -3.138 1.235 6.869 470 1HB PRO 67 HB2 PRO 67 -3.820 0.162 9.162 471 2HB PRO 67 HB1 PRO 67 -4.448 1.770 8.758 472 1HG PRO 67 HG2 PRO 67 -5.813 -0.893 8.559 473 2HG PRO 67 HG1 PRO 67 -6.440 0.635 9.205 474 1HD PRO 67 HD2 PRO 67 -6.854 -0.314 6.611 475 2HD PRO 67 HD1 PRO 67 -7.058 1.366 7.143 476 H HIS 68 HN HIS 68 -1.737 -0.567 7.610 477 HA HIS 68 HA HIS 68 -2.077 -2.886 5.962 478 1HB HIS 68 HB2 HIS 68 0.052 -1.769 7.616 479 2HB HIS 68 HB1 HIS 68 -0.036 -3.527 7.717 480 HD1 HIS 68 HD1 HIS 68 0.812 -4.863 5.720 481 HD2 HIS 68 HD2 HIS 68 0.496 -0.772 4.974 482 HE1 HIS 68 HE1 HIS 68 1.767 -4.490 3.416 483 HE2 HIS 68 HE2 HIS 68 1.418 -2.054 2.942 484 HA PRO 69 HA PRO 69 -3.865 -5.590 8.988 485 1HB PRO 69 HB2 PRO 69 -3.357 -7.947 7.723 486 2HB PRO 69 HB1 PRO 69 -4.550 -6.781 7.153 487 1HG PRO 69 HG2 PRO 69 -2.016 -7.533 5.956 488 2HG PRO 69 HG1 PRO 69 -3.313 -6.539 5.278 489 1HD PRO 69 HD2 PRO 69 -0.809 -5.706 6.551 490 2HD PRO 69 HD1 PRO 69 -1.932 -4.767 5.561 491 H LYS 70 HN LYS 70 -0.929 -7.170 7.746 492 HA LYS 70 HA LYS 70 -0.384 -8.529 10.159 493 1HB LYS 70 HB2 LYS 70 0.758 -8.312 7.482 494 2HB LYS 70 HB1 LYS 70 1.986 -8.499 8.723 495 1HG LYS 70 HG2 LYS 70 -0.241 -10.368 7.989 496 2HG LYS 70 HG1 LYS 70 1.495 -10.673 8.012 497 1HD LYS 70 HD2 LYS 70 -0.448 -10.568 10.281 498 2HD LYS 70 HD1 LYS 70 0.790 -11.771 9.919 499 1HE LYS 70 HE2 LYS 70 2.254 -9.479 10.316 500 2HE LYS 70 HE1 LYS 70 0.955 -9.322 11.494 501 1HZ LYS 70 HZ1 LYS 70 3.191 -10.673 11.960 502 2HZ LYS 70 HZ2 LYS 70 2.237 -11.928 11.347 503 3HZ LYS 70 HZ3 LYS 70 1.716 -11.052 12.697 504 H GLN 71 HN GLN 71 0.737 -5.498 8.772 505 HA GLN 71 HA GLN 71 2.797 -5.112 10.723 506 1HB GLN 71 HB2 GLN 71 1.624 -3.343 8.610 507 2HB GLN 71 HB1 GLN 71 2.844 -2.770 9.737 508 1HG GLN 71 HG2 GLN 71 3.785 -5.194 8.654 509 2HG GLN 71 HG1 GLN 71 3.171 -4.225 7.317 510 1HE2 GLN 71 HE21 GLN 71 4.673 -3.166 10.332 511 2HE2 GLN 71 HE22 GLN 71 6.021 -2.379 9.593 512 H ARG 72 HN ARG 72 0.302 -2.853 9.973 513 HA ARG 72 HA ARG 72 -0.084 -1.137 11.702 514 1HB ARG 72 HB2 ARG 72 -1.946 -1.565 10.358 515 2HB ARG 72 HB1 ARG 72 -2.198 -3.161 11.042 516 1HG ARG 72 HG2 ARG 72 -2.884 -2.165 13.138 517 2HG ARG 72 HG1 ARG 72 -2.589 -0.560 12.475 518 1HD ARG 72 HD2 ARG 72 -4.963 -1.084 12.396 519 2HD ARG 72 HD1 ARG 72 -4.303 -0.959 10.766 520 HE ARG 72 HE ARG 72 -4.155 -3.626 11.436 521 1HH1 ARG 72 HH11 ARG 72 -6.679 -1.236 11.115 522 2HH1 ARG 72 HH12 ARG 72 -7.886 -2.390 10.658 523 1HH2 ARG 72 HH21 ARG 72 -5.742 -5.145 10.836 524 2HH2 ARG 72 HH22 ARG 72 -7.354 -4.611 10.499 525 HA PRO 73 HA PRO 73 -1.160 -3.408 15.723 526 1HB PRO 73 HB2 PRO 73 -1.692 -6.031 15.797 527 2HB PRO 73 HB1 PRO 73 -2.915 -4.863 15.277 528 1HG PRO 73 HG2 PRO 73 -1.138 -6.611 13.613 529 2HG PRO 73 HG1 PRO 73 -2.872 -6.288 13.431 530 1HD PRO 73 HD2 PRO 73 -0.944 -5.024 11.962 531 2HD PRO 73 HD1 PRO 73 -2.514 -4.297 12.356 532 H GLY 74 HN GLY 74 1.394 -3.134 14.692 533 1HA GLY 74 HA2 GLY 74 2.904 -5.531 15.356 534 2HA GLY 74 HA1 GLY 74 3.551 -4.039 14.692 535 1H GLU 180 HT1 GLU 180 19.081 14.622 -2.622 536 2H GLU 180 HT2 GLU 180 20.296 15.401 -3.552 537 3H GLU 180 HT3 GLU 180 20.720 14.145 -2.461 538 HA GLU 180 HA GLU 180 19.313 13.987 -5.023 539 1HB GLU 180 HB2 GLU 180 21.835 12.967 -3.781 540 2HB GLU 180 HB1 GLU 180 21.084 12.031 -5.066 541 1HG GLU 180 HG2 GLU 180 22.027 13.340 -6.571 542 2HG GLU 180 HG1 GLU 180 21.162 14.727 -5.913 543 H GLU 181 HN GLU 181 19.570 12.605 -1.834 544 HA GLU 181 HA GLU 181 18.428 10.076 -2.447 545 1HB GLU 181 HB2 GLU 181 18.866 11.625 0.088 546 2HB GLU 181 HB1 GLU 181 17.931 10.136 0.105 547 1HG GLU 181 HG2 GLU 181 19.909 9.021 -0.990 548 2HG GLU 181 HG1 GLU 181 20.812 10.497 -0.657 549 H ARG 182 HN ARG 182 17.102 13.188 -1.469 550 HA ARG 182 HA ARG 182 14.496 12.374 -0.895 551 1HB ARG 182 HB2 ARG 182 15.247 14.534 -0.211 552 2HB ARG 182 HB1 ARG 182 15.675 14.978 -1.858 553 1HG ARG 182 HG2 ARG 182 13.652 16.091 -1.150 554 2HG ARG 182 HG1 ARG 182 13.329 14.973 -2.476 555 1HD ARG 182 HD2 ARG 182 13.062 13.681 0.095 556 2HD ARG 182 HD1 ARG 182 12.009 15.092 -0.031 557 HE ARG 182 HE ARG 182 11.952 13.242 -2.268 558 1HH1 ARG 182 HH11 ARG 182 10.479 14.260 0.732 559 2HH1 ARG 182 HH12 ARG 182 8.948 13.538 0.370 560 1HH2 ARG 182 HH21 ARG 182 9.935 12.291 -2.742 561 2HH2 ARG 182 HH22 ARG 182 8.639 12.420 -1.601 562 H GLY 183 HN GLY 183 13.664 10.961 -2.403 563 1HA GLY 183 HA2 GLY 183 13.551 11.847 -5.198 564 2HA GLY 183 HA1 GLY 183 13.238 10.217 -4.624 565 H TRP 184 HN TRP 184 11.220 9.774 -5.231 566 HA TRP 184 HA TRP 184 9.145 11.761 -4.621 567 1HB TRP 184 HB2 TRP 184 7.801 10.419 -6.378 568 2HB TRP 184 HB1 TRP 184 9.037 11.541 -6.915 569 HD1 TRP 184 HD1 TRP 184 9.410 10.320 -9.193 570 HE1 TRP 184 HE1 TRP 184 10.570 8.128 -9.857 571 HE3 TRP 184 HE3 TRP 184 9.822 8.129 -4.545 572 HZ2 TRP 184 HZ2 TRP 184 11.523 5.799 -8.617 573 HZ3 TRP 184 HZ3 TRP 184 10.863 5.921 -4.414 574 HH2 TRP 184 HH2 TRP 184 11.702 4.779 -6.394 575 H LYS 185 HN LYS 185 7.718 8.851 -5.518 576 HA LYS 185 HA LYS 185 7.628 7.854 -2.774 577 1HB LYS 185 HB2 LYS 185 5.522 9.289 -4.124 578 2HB LYS 185 HB1 LYS 185 4.990 7.680 -3.701 579 1HG LYS 185 HG2 LYS 185 5.722 8.117 -1.379 580 2HG LYS 185 HG1 LYS 185 6.039 9.786 -1.854 581 1HD LYS 185 HD2 LYS 185 3.412 8.784 -2.639 582 2HD LYS 185 HD1 LYS 185 3.672 8.826 -0.897 583 1HE LYS 185 HE2 LYS 185 4.453 11.205 -2.502 584 2HE LYS 185 HE1 LYS 185 2.738 10.922 -2.213 585 1HZ LYS 185 HZ1 LYS 185 3.731 10.588 0.238 586 2HZ LYS 185 HZ2 LYS 185 3.158 12.070 -0.345 587 3HZ LYS 185 HZ3 LYS 185 4.817 11.739 -0.365 588 H HIS 186 HN HIS 186 8.464 5.812 -3.104 589 HA HIS 186 HA HIS 186 6.882 4.047 -4.817 590 1HB HIS 186 HB2 HIS 186 8.970 4.829 -6.052 591 2HB HIS 186 HB1 HIS 186 9.898 3.927 -4.861 592 HD1 HIS 186 HD1 HIS 186 6.874 2.108 -5.534 593 HD2 HIS 186 HD2 HIS 186 10.562 2.512 -7.405 594 HE1 HIS 186 HE1 HIS 186 7.058 0.140 -7.088 595 HE2 HIS 186 HE2 HIS 186 9.339 0.353 -8.136 596 H TRP 187 HN TRP 187 6.230 2.361 -3.621 597 HA TRP 187 HA TRP 187 8.034 1.265 -1.565 598 1HB TRP 187 HB2 TRP 187 5.520 2.632 -1.108 599 2HB TRP 187 HB1 TRP 187 5.493 1.010 -0.456 600 HD1 TRP 187 HD1 TRP 187 6.607 4.452 0.296 601 HE1 TRP 187 HE1 TRP 187 7.944 4.522 2.466 602 HE3 TRP 187 HE3 TRP 187 7.300 -0.564 1.006 603 HZ2 TRP 187 HZ2 TRP 187 9.135 2.710 4.263 604 HZ3 TRP 187 HZ3 TRP 187 8.548 -1.301 2.976 605 HH2 TRP 187 HH2 TRP 187 9.440 0.302 4.582 606 H VAL 188 HN VAL 188 7.148 -0.748 -0.663 607 HA VAL 188 HA VAL 188 5.262 -2.269 -2.174 608 HB VAL 188 HB VAL 188 7.915 -3.620 -1.985 609 1HG1 VAL 188 HG11 VAL 188 5.695 -3.768 -4.024 610 2HG1 VAL 188 HG12 VAL 188 5.857 -4.826 -2.621 611 3HG1 VAL 188 HG13 VAL 188 7.078 -4.855 -3.892 612 1HG2 VAL 188 HG21 VAL 188 8.625 -2.837 -4.160 613 2HG2 VAL 188 HG22 VAL 188 8.420 -1.460 -3.076 614 3HG2 VAL 188 HG23 VAL 188 7.194 -1.815 -4.293 615 H TYR 189 HN TYR 189 4.138 -2.568 -0.266 616 HA TYR 189 HA TYR 189 5.588 -3.654 2.025 617 1HB TYR 189 HB2 TYR 189 2.767 -2.625 1.704 618 2HB TYR 189 HB1 TYR 189 3.440 -3.247 3.209 619 HD1 TYR 189 HD1 TYR 189 4.748 -1.861 4.601 620 HD2 TYR 189 HD2 TYR 189 3.758 -0.611 0.675 621 HE1 TYR 189 HE1 TYR 189 5.595 0.359 5.092 622 HE2 TYR 189 HE2 TYR 189 4.587 1.641 1.173 623 HH TYR 189 HH TYR 189 6.259 2.356 4.169 624 H TYR 190 HN TYR 190 5.729 -5.752 2.212 625 HA TYR 190 HA TYR 190 3.791 -7.463 0.851 626 1HB TYR 190 HB2 TYR 190 6.471 -8.064 2.127 627 2HB TYR 190 HB1 TYR 190 5.431 -9.285 1.413 628 HD1 TYR 190 HD1 TYR 190 6.478 -5.893 0.199 629 HD2 TYR 190 HD2 TYR 190 6.475 -10.089 -0.469 630 HE1 TYR 190 HE1 TYR 190 7.598 -5.555 -1.959 631 HE2 TYR 190 HE2 TYR 190 7.586 -9.766 -2.629 632 HH TYR 190 HH TYR 190 9.083 -6.940 -3.512 633 H THR 191 HN THR 191 2.064 -8.036 2.090 634 HA THR 191 HA THR 191 2.199 -8.013 4.926 635 HB THR 191 HB THR 191 0.023 -7.711 4.273 636 HG1 THR 191 HG1 THR 191 -0.184 -9.236 5.797 637 1HG2 THR 191 HG21 THR 191 0.739 -9.287 2.019 638 2HG2 THR 191 HG22 THR 191 -0.624 -8.192 2.224 639 3HG2 THR 191 HG23 THR 191 -0.767 -9.877 2.711 640 H CYS 192 HN CYS 192 1.690 -9.927 6.209 641 HA CYS 192 HA CYS 192 1.801 -12.397 6.393 642 1HB CYS 192 HB2 CYS 192 3.377 -13.687 5.162 643 2HB CYS 192 HB1 CYS 192 2.760 -12.555 3.969 644 H CYS 193 HN CYS 193 4.422 -10.151 6.091 645 HA CYS 193 HA CYS 193 5.528 -11.084 8.637 646 1HB CYS 193 HB2 CYS 193 7.235 -10.546 6.215 647 2HB CYS 193 HB1 CYS 193 7.605 -11.530 7.633 648 HA PRO 194 HA PRO 194 5.081 -6.573 9.157 649 1HB PRO 194 HB2 PRO 194 6.290 -7.641 11.682 650 2HB PRO 194 HB1 PRO 194 5.037 -6.407 11.482 651 1HG PRO 194 HG2 PRO 194 4.334 -8.837 12.185 652 2HG PRO 194 HG1 PRO 194 3.409 -8.000 10.921 653 1HD PRO 194 HD2 PRO 194 5.447 -10.170 10.655 654 2HD PRO 194 HD1 PRO 194 3.947 -9.917 9.741 655 H ASP 195 HN ASP 195 7.853 -8.677 9.598 656 HA ASP 195 HA ASP 195 9.674 -6.393 9.630 657 1HB ASP 195 HB2 ASP 195 10.078 -9.341 10.119 658 2HB ASP 195 HB1 ASP 195 11.421 -8.210 9.981 659 H THR 196 HN THR 196 8.200 -7.074 7.187 660 HA THR 196 HA THR 196 10.544 -7.467 5.468 661 HB THR 196 HB THR 196 9.203 -8.797 3.890 662 HG1 THR 196 HG1 THR 196 7.147 -7.960 4.709 663 1HG2 THR 196 HG21 THR 196 8.969 -10.861 5.226 664 2HG2 THR 196 HG22 THR 196 9.305 -9.916 6.677 665 3HG2 THR 196 HG23 THR 196 10.531 -10.065 5.419 666 HA PRO 197 HA PRO 197 7.852 -3.928 3.995 667 1HB PRO 197 HB2 PRO 197 8.821 -1.806 5.271 668 2HB PRO 197 HB1 PRO 197 7.680 -2.886 6.086 669 1HG PRO 197 HG2 PRO 197 10.644 -2.688 6.382 670 2HG PRO 197 HG1 PRO 197 9.410 -2.978 7.620 671 1HD PRO 197 HD2 PRO 197 10.971 -4.936 6.370 672 2HD PRO 197 HD1 PRO 197 9.484 -5.221 7.295 673 H TYR 198 HN TYR 198 8.732 -3.827 1.939 674 HA TYR 198 HA TYR 198 11.558 -3.079 1.722 675 1HB TYR 198 HB2 TYR 198 9.865 -3.892 -0.623 676 2HB TYR 198 HB1 TYR 198 11.595 -4.075 -0.391 677 HD1 TYR 198 HD1 TYR 198 9.810 -6.184 -1.407 678 HD2 TYR 198 HD2 TYR 198 10.984 -5.261 2.570 679 HE1 TYR 198 HE1 TYR 198 9.432 -8.497 -0.760 680 HE2 TYR 198 HE2 TYR 198 10.587 -7.598 3.235 681 HH TYR 198 HH TYR 198 10.613 -9.963 1.707 682 H LEU 199 HN LEU 199 12.134 -1.111 1.254 683 HA LEU 199 HA LEU 199 10.126 0.857 0.452 684 1HB LEU 199 HB2 LEU 199 11.673 1.023 2.477 685 2HB LEU 199 HB1 LEU 199 12.959 1.347 1.336 686 HG LEU 199 HG LEU 199 10.482 3.040 1.623 687 1HD1 LEU 199 HD11 LEU 199 13.237 3.322 2.813 688 2HD1 LEU 199 HD12 LEU 199 11.703 3.182 3.672 689 3HD1 LEU 199 HD13 LEU 199 12.061 4.634 2.740 690 1HD2 LEU 199 HD21 LEU 199 11.188 3.834 -0.352 691 2HD2 LEU 199 HD22 LEU 199 12.745 3.018 -0.225 692 3HD2 LEU 199 HD23 LEU 199 12.499 4.574 0.565 693 H ASP 200 HN ASP 200 10.413 2.324 -1.236 694 HA ASP 200 HA ASP 200 12.650 1.834 -3.062 695 1HB ASP 200 HB2 ASP 200 9.737 1.644 -3.694 696 2HB ASP 200 HB1 ASP 200 10.837 2.255 -4.924 697 H ILE 201 HN ILE 201 13.701 3.619 -3.408 698 HA ILE 201 HA ILE 201 12.280 6.203 -3.356 699 HB ILE 201 HB ILE 201 14.545 7.164 -2.731 700 1HG1 ILE 201 HG12 ILE 201 15.272 4.520 -1.588 701 2HG1 ILE 201 HG11 ILE 201 15.533 4.733 -3.315 702 1HG2 ILE 201 HG21 ILE 201 12.659 5.677 -1.062 703 2HG2 ILE 201 HG22 ILE 201 13.279 7.319 -0.891 704 3HG2 ILE 201 HG23 ILE 201 14.231 5.953 -0.311 705 1HD1 ILE 201 HD11 ILE 201 17.339 5.358 -1.433 706 2HD1 ILE 201 HD12 ILE 201 16.521 6.910 -1.604 707 3HD1 ILE 201 HD13 ILE 201 17.256 6.141 -3.010 708 H THR 202 HN THR 202 14.020 7.897 -4.437 709 HA THR 202 HA THR 202 14.134 7.043 -7.193 710 HB THR 202 HB THR 202 13.414 9.350 -6.414 711 HG1 THR 202 HG1 THR 202 13.825 9.168 -8.547 712 1HG2 THR 202 HG21 THR 202 15.132 11.033 -6.105 713 2HG2 THR 202 HG22 THR 202 16.380 9.787 -6.151 714 3HG2 THR 202 HG23 THR 202 15.210 9.815 -4.832 715 H GLU 203 HN GLU 203 15.865 6.304 -8.248 716 HA GLU 203 HA GLU 203 18.538 7.057 -7.538 717 1HB GLU 203 HB2 GLU 203 19.361 4.848 -6.952 718 2HB GLU 203 HB1 GLU 203 18.091 5.331 -5.836 719 1HG GLU 203 HG2 GLU 203 16.505 3.986 -7.281 720 2HG GLU 203 HG1 GLU 203 17.942 3.329 -8.066 721 H GLU 204 HN GLU 204 20.069 6.477 -9.104 722 HA GLU 204 HA GLU 204 18.897 5.427 -11.593 723 1HB GLU 204 HB2 GLU 204 20.644 6.709 -12.771 724 2HB GLU 204 HB1 GLU 204 19.608 7.742 -11.798 725 1HG GLU 204 HG2 GLU 204 21.321 7.812 -10.053 726 2HG GLU 204 HG1 GLU 204 22.363 6.791 -11.046 Start of MODEL 9 1 1H ILE 1 HT1 ILE 1 -10.585 14.426 3.640 2 2H ILE 1 HT2 ILE 1 -12.225 14.085 4.014 3 3H ILE 1 HT3 ILE 1 -11.596 13.692 2.467 4 HA ILE 1 HA ILE 1 -11.164 12.407 5.049 5 HB ILE 1 HB ILE 1 -11.801 10.455 3.979 6 1HG1 ILE 1 HG12 ILE 1 -12.082 10.683 1.296 7 2HG1 ILE 1 HG11 ILE 1 -10.717 11.765 1.554 8 1HG2 ILE 1 HG21 ILE 1 -13.346 12.634 2.583 9 2HG2 ILE 1 HG22 ILE 1 -13.687 11.966 4.180 10 3HG2 ILE 1 HG23 ILE 1 -13.860 10.955 2.746 11 1HD1 ILE 1 HD11 ILE 1 -9.312 10.078 1.951 12 2HD1 ILE 1 HD12 ILE 1 -10.546 9.078 1.184 13 3HD1 ILE 1 HD13 ILE 1 -10.483 9.206 2.942 14 H VAL 2 HN VAL 2 -9.451 11.062 5.388 15 HA VAL 2 HA VAL 2 -7.019 11.758 3.904 16 HB VAL 2 HB VAL 2 -7.341 10.320 6.553 17 1HG1 VAL 2 HG11 VAL 2 -4.923 11.378 5.090 18 2HG1 VAL 2 HG12 VAL 2 -5.245 9.720 5.596 19 3HG1 VAL 2 HG13 VAL 2 -4.909 10.960 6.802 20 1HG2 VAL 2 HG21 VAL 2 -8.096 12.762 6.408 21 2HG2 VAL 2 HG22 VAL 2 -6.388 13.146 6.197 22 3HG2 VAL 2 HG23 VAL 2 -6.934 12.338 7.666 23 H CYS 3 HN CYS 3 -5.433 9.894 3.573 24 HA CYS 3 HA CYS 3 -6.655 7.269 3.476 25 1HB CYS 3 HB2 CYS 3 -7.140 8.685 1.300 26 2HB CYS 3 HB1 CYS 3 -5.503 8.191 0.883 27 H HIS 4 HN HIS 4 -5.246 5.629 3.592 28 HA HIS 4 HA HIS 4 -2.478 6.236 4.138 29 1HB HIS 4 HB2 HIS 4 -4.209 3.801 4.258 30 2HB HIS 4 HB1 HIS 4 -2.469 3.578 4.164 31 HD1 HIS 4 HD1 HIS 4 -2.075 6.272 6.031 32 HD2 HIS 4 HD2 HIS 4 -4.172 2.785 6.881 33 HE1 HIS 4 HE1 HIS 4 -2.169 6.140 8.539 34 HE2 HIS 4 HE2 HIS 4 -3.387 3.990 9.033 35 H THR 5 HN THR 5 -0.762 4.923 3.099 36 HA THR 5 HA THR 5 -1.122 3.768 0.565 37 HB THR 5 HB THR 5 -1.441 5.775 -0.512 38 HG1 THR 5 HG1 THR 5 1.384 5.801 -0.372 39 1HG2 THR 5 HG21 THR 5 -0.468 7.890 0.026 40 2HG2 THR 5 HG22 THR 5 0.550 7.151 1.260 41 3HG2 THR 5 HG23 THR 5 -1.198 7.207 1.479 42 H THR 6 HN THR 6 1.053 3.468 -0.541 43 HA THR 6 HA THR 6 3.191 3.244 1.422 44 HB THR 6 HB THR 6 3.646 1.079 0.659 45 HG1 THR 6 HG1 THR 6 1.759 1.432 -1.406 46 1HG2 THR 6 HG21 THR 6 0.669 1.248 0.629 47 2HG2 THR 6 HG22 THR 6 1.663 1.177 2.082 48 3HG2 THR 6 HG23 THR 6 1.638 -0.188 0.961 49 H ALA 7 HN ALA 7 4.625 4.769 0.693 50 HA ALA 7 HA ALA 7 5.739 4.354 -1.918 51 1HB ALA 7 HB1 ALA 7 3.585 5.717 -2.147 52 2HB ALA 7 HB2 ALA 7 5.020 6.233 -3.023 53 3HB ALA 7 HB3 ALA 7 4.551 7.053 -1.535 54 H THR 8 HN THR 8 5.667 6.754 0.771 55 HA THR 8 HA THR 8 8.331 7.609 0.068 56 HB THR 8 HB THR 8 7.010 9.316 0.931 57 HG1 THR 8 HG1 THR 8 8.257 10.069 2.519 58 1HG2 THR 8 HG21 THR 8 5.357 9.045 2.362 59 2HG2 THR 8 HG22 THR 8 6.491 8.580 3.628 60 3HG2 THR 8 HG23 THR 8 5.817 7.353 2.555 61 H SER 9 HN SER 9 8.989 7.834 3.140 62 HA SER 9 HA SER 9 10.727 5.595 3.102 63 1HB SER 9 HB2 SER 9 10.175 6.986 5.689 64 2HB SER 9 HB1 SER 9 11.706 6.461 5.002 65 HG SER 9 HG SER 9 10.327 8.834 4.648 66 HA PRO 10 HA PRO 10 7.576 3.525 5.905 67 1HB PRO 10 HB2 PRO 10 6.112 4.956 7.617 68 2HB PRO 10 HB1 PRO 10 7.862 4.842 7.843 69 1HG PRO 10 HG2 PRO 10 6.247 7.145 6.997 70 2HG PRO 10 HG1 PRO 10 7.906 7.109 7.615 71 1HD PRO 10 HD2 PRO 10 6.957 7.141 4.835 72 2HD PRO 10 HD1 PRO 10 8.580 7.479 5.464 73 H ILE 11 HN ILE 11 4.929 3.624 6.535 74 HA ILE 11 HA ILE 11 3.588 3.662 4.048 75 HB ILE 11 HB ILE 11 2.248 3.975 6.745 76 1HG1 ILE 11 HG12 ILE 11 2.229 1.260 5.790 77 2HG1 ILE 11 HG11 ILE 11 3.893 1.835 5.885 78 1HG2 ILE 11 HG21 ILE 11 0.899 4.306 4.658 79 2HG2 ILE 11 HG22 ILE 11 0.328 3.018 5.720 80 3HG2 ILE 11 HG23 ILE 11 1.230 2.621 4.258 81 1HD1 ILE 11 HD11 ILE 11 2.238 2.473 8.217 82 2HD1 ILE 11 HD12 ILE 11 3.888 1.860 8.122 83 3HD1 ILE 11 HD13 ILE 11 2.525 0.755 7.942 84 H SER 12 HN SER 12 2.557 5.343 2.965 85 HA SER 12 HA SER 12 2.861 7.992 4.161 86 1HB SER 12 HB2 SER 12 2.073 8.554 1.660 87 2HB SER 12 HB1 SER 12 3.749 8.171 2.044 88 HG SER 12 HG SER 12 3.572 6.474 0.839 89 H ALA 13 HN ALA 13 1.165 9.487 4.261 90 HA ALA 13 HA ALA 13 -1.538 8.433 3.802 91 1HB ALA 13 HB1 ALA 13 -2.291 8.860 5.929 92 2HB ALA 13 HB2 ALA 13 -1.028 10.047 6.256 93 3HB ALA 13 HB3 ALA 13 -0.643 8.326 6.260 94 H VAL 14 HN VAL 14 -2.127 9.734 2.166 95 HA VAL 14 HA VAL 14 -1.924 12.643 2.599 96 HB VAL 14 HB VAL 14 -1.978 12.896 0.134 97 1HG1 VAL 14 HG11 VAL 14 0.161 13.052 1.106 98 2HG1 VAL 14 HG12 VAL 14 0.348 11.955 -0.262 99 3HG1 VAL 14 HG13 VAL 14 0.252 11.313 1.378 100 1HG2 VAL 14 HG21 VAL 14 -1.218 10.085 -0.318 101 2HG2 VAL 14 HG22 VAL 14 -2.165 11.183 -1.322 102 3HG2 VAL 14 HG23 VAL 14 -2.919 10.372 0.050 103 H THR 15 HN THR 15 -3.695 13.933 1.873 104 HA THR 15 HA THR 15 -6.234 12.641 2.251 105 HB THR 15 HB THR 15 -6.635 15.291 1.383 106 HG1 THR 15 HG1 THR 15 -5.019 16.410 2.099 107 1HG2 THR 15 HG21 THR 15 -7.189 13.727 3.659 108 2HG2 THR 15 HG22 THR 15 -7.895 15.273 3.191 109 3HG2 THR 15 HG23 THR 15 -6.456 15.234 4.209 110 H CYS 16 HN CYS 16 -8.022 12.820 0.742 111 HA CYS 16 HA CYS 16 -7.118 12.348 -1.977 112 1HB CYS 16 HB2 CYS 16 -9.887 12.080 -0.798 113 2HB CYS 16 HB1 CYS 16 -9.368 11.503 -2.378 114 HA PRO 17 HA PRO 17 -8.204 16.421 -3.399 115 1HB PRO 17 HB2 PRO 17 -8.418 15.826 -6.063 116 2HB PRO 17 HB1 PRO 17 -6.875 16.061 -5.235 117 1HG PRO 17 HG2 PRO 17 -8.282 13.519 -5.944 118 2HG PRO 17 HG1 PRO 17 -6.558 13.918 -6.068 119 1HD PRO 17 HD2 PRO 17 -7.540 12.431 -4.048 120 2HD PRO 17 HD1 PRO 17 -6.184 13.552 -3.817 121 HA PRO 18 HA PRO 18 -12.571 16.568 -4.071 122 1HB PRO 18 HB2 PRO 18 -12.950 18.315 -6.109 123 2HB PRO 18 HB1 PRO 18 -12.418 18.818 -4.500 124 1HG PRO 18 HG2 PRO 18 -10.796 18.366 -6.976 125 2HG PRO 18 HG1 PRO 18 -10.689 19.683 -5.793 126 1HD PRO 18 HD2 PRO 18 -8.987 17.579 -5.788 127 2HD PRO 18 HD1 PRO 18 -9.475 18.414 -4.301 128 H GLY 19 HN GLY 19 -11.479 14.296 -5.321 129 1HA GLY 19 HA2 GLY 19 -13.474 13.880 -7.392 130 2HA GLY 19 HA1 GLY 19 -11.803 13.699 -7.897 131 H GLU 20 HN GLU 20 -12.072 12.764 -4.691 132 HA GLU 20 HA GLU 20 -13.143 10.168 -4.936 133 1HB GLU 20 HB2 GLU 20 -10.706 9.178 -4.402 134 2HB GLU 20 HB1 GLU 20 -11.370 9.245 -6.025 135 1HG GLU 20 HG2 GLU 20 -9.872 11.617 -5.122 136 2HG GLU 20 HG1 GLU 20 -8.943 10.141 -5.377 137 H ASN 21 HN ASN 21 -13.201 9.085 -2.932 138 HA ASN 21 HA ASN 21 -11.915 10.424 -0.664 139 1HB ASN 21 HB2 ASN 21 -14.763 9.617 -0.307 140 2HB ASN 21 HB1 ASN 21 -13.851 10.894 0.491 141 1HD2 ASN 21 HD21 ASN 21 -15.115 9.979 -2.674 142 2HD2 ASN 21 HD22 ASN 21 -15.565 11.578 -3.158 143 H LEU 22 HN LEU 22 -12.334 7.633 -2.261 144 HA LEU 22 HA LEU 22 -12.804 5.929 0.013 145 1HB LEU 22 HB2 LEU 22 -12.784 5.642 -2.896 146 2HB LEU 22 HB1 LEU 22 -12.100 4.268 -2.047 147 HG LEU 22 HG LEU 22 -14.115 3.865 -0.874 148 1HD1 LEU 22 HD11 LEU 22 -14.767 6.079 -0.269 149 2HD1 LEU 22 HD12 LEU 22 -16.104 5.333 -1.150 150 3HD1 LEU 22 HD13 LEU 22 -15.062 6.505 -1.957 151 1HD2 LEU 22 HD21 LEU 22 -15.393 4.549 -3.431 152 2HD2 LEU 22 HD22 LEU 22 -15.282 3.001 -2.594 153 3HD2 LEU 22 HD23 LEU 22 -13.921 3.585 -3.553 154 H CYS 23 HN CYS 23 -11.351 3.891 0.022 155 HA CYS 23 HA CYS 23 -8.514 4.480 -0.318 156 1HB CYS 23 HB2 CYS 23 -9.889 3.996 2.301 157 2HB CYS 23 HB1 CYS 23 -8.196 3.593 2.084 158 H TYR 24 HN TYR 24 -8.465 2.808 -1.850 159 HA TYR 24 HA TYR 24 -9.572 0.247 -1.265 160 1HB TYR 24 HB2 TYR 24 -8.703 -0.484 -3.372 161 2HB TYR 24 HB1 TYR 24 -9.321 1.150 -3.585 162 HD1 TYR 24 HD1 TYR 24 -6.437 -1.008 -3.943 163 HD2 TYR 24 HD2 TYR 24 -7.673 3.060 -3.563 164 HE1 TYR 24 HE1 TYR 24 -4.298 -0.274 -4.833 165 HE2 TYR 24 HE2 TYR 24 -5.524 3.795 -4.470 166 HH TYR 24 HH TYR 24 -3.518 2.010 -6.154 167 H ARG 25 HN ARG 25 -8.594 -1.653 -0.929 168 HA ARG 25 HA ARG 25 -5.902 -1.596 0.206 169 1HB ARG 25 HB2 ARG 25 -7.248 -2.181 2.023 170 2HB ARG 25 HB1 ARG 25 -8.427 -2.993 1.012 171 1HG ARG 25 HG2 ARG 25 -7.045 -4.442 2.567 172 2HG ARG 25 HG1 ARG 25 -7.146 -4.954 0.886 173 1HD ARG 25 HD2 ARG 25 -4.838 -4.713 2.335 174 2HD ARG 25 HD1 ARG 25 -4.940 -4.730 0.575 175 HE ARG 25 HE ARG 25 -4.213 -2.586 0.610 176 1HH1 ARG 25 HH11 ARG 25 -5.740 -3.247 3.671 177 2HH1 ARG 25 HH12 ARG 25 -5.600 -1.616 4.232 178 1HH2 ARG 25 HH21 ARG 25 -4.111 -0.436 1.313 179 2HH2 ARG 25 HH22 ARG 25 -4.622 -0.032 2.906 180 H LYS 26 HN LYS 26 -4.916 -2.036 -1.781 181 HA LYS 26 HA LYS 26 -5.756 -4.429 -3.216 182 1HB LYS 26 HB2 LYS 26 -5.352 -2.676 -4.699 183 2HB LYS 26 HB1 LYS 26 -3.920 -2.142 -3.829 184 1HG LYS 26 HG2 LYS 26 -2.604 -3.859 -4.699 185 2HG LYS 26 HG1 LYS 26 -4.005 -4.803 -5.190 186 1HD LYS 26 HD2 LYS 26 -3.938 -2.172 -6.430 187 2HD LYS 26 HD1 LYS 26 -2.521 -3.153 -6.818 188 1HE LYS 26 HE2 LYS 26 -4.266 -5.030 -7.183 189 2HE LYS 26 HE1 LYS 26 -5.399 -3.684 -7.351 190 1HZ LYS 26 HZ1 LYS 26 -4.215 -2.852 -9.198 191 2HZ LYS 26 HZ2 LYS 26 -4.358 -4.515 -9.471 192 3HZ LYS 26 HZ3 LYS 26 -2.892 -3.871 -8.925 193 H MET 27 HN MET 27 -4.666 -6.269 -3.344 194 HA MET 27 HA MET 27 -1.922 -6.498 -2.897 195 1HB MET 27 HB2 MET 27 -2.375 -8.128 -0.807 196 2HB MET 27 HB1 MET 27 -1.927 -6.440 -0.632 197 1HG MET 27 HG2 MET 27 -3.720 -6.192 0.620 198 2HG MET 27 HG1 MET 27 -4.693 -6.395 -0.833 199 1HE MET 27 HE1 MET 27 -4.542 -7.146 2.531 200 2HE MET 27 HE2 MET 27 -5.512 -8.608 2.706 201 3HE MET 27 HE3 MET 27 -6.187 -7.193 1.896 202 H TRP 28 HN TRP 28 -1.117 -8.360 -3.574 203 HA TRP 28 HA TRP 28 -2.946 -10.574 -4.166 204 1HB TRP 28 HB2 TRP 28 -1.906 -10.845 -6.378 205 2HB TRP 28 HB1 TRP 28 -2.703 -9.284 -6.218 206 HD1 TRP 28 HD1 TRP 28 0.720 -10.859 -6.570 207 HE1 TRP 28 HE1 TRP 28 2.439 -9.008 -7.118 208 HE3 TRP 28 HE3 TRP 28 -2.253 -6.804 -5.855 209 HZ2 TRP 28 HZ2 TRP 28 2.496 -6.176 -7.232 210 HZ3 TRP 28 HZ3 TRP 28 -1.308 -4.553 -6.180 211 HH2 TRP 28 HH2 TRP 28 1.022 -4.245 -6.840 212 H CYS 29 HN CYS 29 -0.899 -12.102 -5.514 213 HA CYS 29 HA CYS 29 0.725 -12.739 -3.154 214 1HB CYS 29 HB2 CYS 29 -0.897 -14.353 -4.816 215 2HB CYS 29 HB1 CYS 29 0.769 -14.845 -5.100 216 H ASP 30 HN ASP 30 2.806 -12.474 -3.164 217 HA ASP 30 HA ASP 30 4.262 -12.563 -5.699 218 1HB ASP 30 HB2 ASP 30 3.683 -10.174 -4.859 219 2HB ASP 30 HB1 ASP 30 4.944 -10.468 -3.665 220 H ALA 31 HN ALA 31 4.609 -14.684 -4.712 221 HA ALA 31 HA ALA 31 6.402 -16.022 -4.122 222 1HB ALA 31 HB1 ALA 31 7.611 -13.665 -3.677 223 2HB ALA 31 HB2 ALA 31 8.307 -15.235 -3.292 224 3HB ALA 31 HB3 ALA 31 7.486 -14.305 -2.040 225 H PHE 32 HN PHE 32 4.194 -14.436 -1.888 226 HA PHE 32 HA PHE 32 4.805 -16.170 0.296 227 1HB PHE 32 HB2 PHE 32 3.222 -14.020 0.148 228 2HB PHE 32 HB1 PHE 32 1.999 -15.255 -0.059 229 HD1 PHE 32 HD1 PHE 32 0.831 -15.043 1.975 230 HD2 PHE 32 HD2 PHE 32 5.061 -15.521 1.986 231 HE1 PHE 32 HE1 PHE 32 0.778 -15.406 4.409 232 HE2 PHE 32 HE2 PHE 32 5.015 -15.887 4.424 233 HZ PHE 32 HZ PHE 32 2.870 -15.829 5.636 234 H CYS 33 HN CYS 33 2.908 -16.297 -2.573 235 HA CYS 33 HA CYS 33 1.627 -18.783 -1.986 236 1HB CYS 33 HB2 CYS 33 1.953 -17.033 -4.414 237 2HB CYS 33 HB1 CYS 33 1.340 -18.678 -4.600 238 H SER 34 HN SER 34 4.516 -17.578 -3.479 239 HA SER 34 HA SER 34 5.461 -20.225 -4.218 240 1HB SER 34 HB2 SER 34 5.891 -17.619 -5.224 241 2HB SER 34 HB1 SER 34 7.437 -18.165 -4.576 242 HG SER 34 HG SER 34 6.528 -18.769 -6.880 243 H SER 35 HN SER 35 7.237 -17.513 -2.708 244 HA SER 35 HA SER 35 7.974 -19.273 -0.487 245 1HB SER 35 HB2 SER 35 10.367 -18.738 -0.756 246 2HB SER 35 HB1 SER 35 9.710 -19.619 -2.134 247 HG SER 35 HG SER 35 10.349 -18.020 -3.315 248 H ARG 36 HN ARG 36 8.626 -15.939 -1.700 249 HA ARG 36 HA ARG 36 9.300 -14.968 0.861 250 1HB ARG 36 HB2 ARG 36 10.202 -13.918 -1.129 251 2HB ARG 36 HB1 ARG 36 8.605 -13.388 -1.612 252 1HG ARG 36 HG2 ARG 36 8.478 -11.782 0.048 253 2HG ARG 36 HG1 ARG 36 9.756 -12.537 1.006 254 1HD ARG 36 HD2 ARG 36 10.594 -11.736 -1.677 255 2HD ARG 36 HD1 ARG 36 10.069 -10.391 -0.670 256 HE ARG 36 HE ARG 36 11.719 -11.283 1.007 257 1HH1 ARG 36 HH11 ARG 36 12.154 -11.803 -2.427 258 2HH1 ARG 36 HH12 ARG 36 13.873 -11.944 -2.305 259 1HH2 ARG 36 HH21 ARG 36 13.977 -11.467 1.152 260 2HH2 ARG 36 HH22 ARG 36 14.907 -11.753 -0.282 261 H GLY 37 HN GLY 37 6.819 -13.055 -0.838 262 1HA GLY 37 HA2 GLY 37 4.850 -13.729 1.188 263 2HA GLY 37 HA1 GLY 37 5.580 -12.155 1.397 264 H LYS 38 HN LYS 38 3.073 -11.843 1.219 265 HA LYS 38 HA LYS 38 2.104 -11.779 -1.501 266 1HB LYS 38 HB2 LYS 38 0.988 -11.526 1.175 267 2HB LYS 38 HB1 LYS 38 0.353 -10.300 0.089 268 1HG LYS 38 HG2 LYS 38 -1.011 -11.774 -0.838 269 2HG LYS 38 HG1 LYS 38 0.345 -12.828 -1.241 270 1HD LYS 38 HD2 LYS 38 -0.643 -14.276 0.165 271 2HD LYS 38 HD1 LYS 38 0.082 -13.283 1.430 272 1HE LYS 38 HE2 LYS 38 -2.197 -11.901 0.933 273 2HE LYS 38 HE1 LYS 38 -2.729 -13.550 0.606 274 1HZ LYS 38 HZ1 LYS 38 -1.553 -14.022 2.861 275 2HZ LYS 38 HZ2 LYS 38 -3.116 -13.376 2.841 276 3HZ LYS 38 HZ3 LYS 38 -1.788 -12.367 3.123 277 H VAL 39 HN VAL 39 1.144 -9.663 -2.297 278 HA VAL 39 HA VAL 39 3.057 -7.512 -1.697 279 HB VAL 39 HB VAL 39 1.737 -8.399 -4.201 280 1HG1 VAL 39 HG11 VAL 39 2.593 -5.979 -5.007 281 2HG1 VAL 39 HG12 VAL 39 2.075 -5.559 -3.382 282 3HG1 VAL 39 HG13 VAL 39 0.928 -6.279 -4.509 283 1HG2 VAL 39 HG21 VAL 39 4.376 -7.016 -3.977 284 2HG2 VAL 39 HG22 VAL 39 3.870 -8.302 -5.070 285 3HG2 VAL 39 HG23 VAL 39 4.211 -8.666 -3.377 286 H VAL 40 HN VAL 40 2.318 -5.433 -1.304 287 HA VAL 40 HA VAL 40 -0.588 -5.066 -1.156 288 HB VAL 40 HB VAL 40 1.113 -4.115 1.120 289 1HG1 VAL 40 HG11 VAL 40 -0.824 -3.449 1.970 290 2HG1 VAL 40 HG12 VAL 40 -1.551 -5.036 1.727 291 3HG1 VAL 40 HG13 VAL 40 -1.570 -3.848 0.423 292 1HG2 VAL 40 HG21 VAL 40 1.374 -6.642 0.732 293 2HG2 VAL 40 HG22 VAL 40 -0.317 -6.747 1.206 294 3HG2 VAL 40 HG23 VAL 40 0.877 -6.107 2.337 295 H GLU 41 HN GLU 41 -1.229 -3.248 -1.974 296 HA GLU 41 HA GLU 41 0.476 -0.871 -1.864 297 1HB GLU 41 HB2 GLU 41 -1.047 -0.396 -4.100 298 2HB GLU 41 HB1 GLU 41 0.656 -0.831 -4.091 299 1HG GLU 41 HG2 GLU 41 -0.435 -3.275 -4.053 300 2HG GLU 41 HG1 GLU 41 -1.709 -2.373 -4.881 301 H LEU 42 HN LEU 42 -0.578 0.703 -0.777 302 HA LEU 42 HA LEU 42 -3.508 0.513 -0.627 303 1HB LEU 42 HB2 LEU 42 -1.977 2.218 1.264 304 2HB LEU 42 HB1 LEU 42 -3.451 1.312 1.523 305 HG LEU 42 HG LEU 42 -0.625 0.356 1.624 306 1HD1 LEU 42 HD11 LEU 42 -2.221 1.193 3.575 307 2HD1 LEU 42 HD12 LEU 42 -1.012 -0.070 3.800 308 3HD1 LEU 42 HD13 LEU 42 -2.699 -0.504 3.530 309 1HD2 LEU 42 HD21 LEU 42 -2.723 -1.115 0.414 310 2HD2 LEU 42 HD22 LEU 42 -2.398 -1.839 1.987 311 3HD2 LEU 42 HD23 LEU 42 -1.093 -1.656 0.815 312 H GLY 43 HN GLY 43 -4.803 2.265 -1.145 313 1HA GLY 43 HA2 GLY 43 -3.625 4.864 -1.581 314 2HA GLY 43 HA1 GLY 43 -4.008 4.030 -3.076 315 H CYS 44 HN CYS 44 -5.202 6.270 -2.942 316 HA CYS 44 HA CYS 44 -7.864 5.908 -1.756 317 1HB CYS 44 HB2 CYS 44 -6.739 7.992 -1.159 318 2HB CYS 44 HB1 CYS 44 -6.499 8.376 -2.858 319 H ALA 45 HN ALA 45 -9.739 6.514 -3.056 320 HA ALA 45 HA ALA 45 -9.443 6.706 -5.916 321 1HB ALA 45 HB1 ALA 45 -10.888 4.284 -4.875 322 2HB ALA 45 HB2 ALA 45 -9.193 4.247 -5.365 323 3HB ALA 45 HB3 ALA 45 -10.444 4.662 -6.539 324 H ALA 46 HN ALA 46 -11.699 6.589 -6.973 325 HA ALA 46 HA ALA 46 -13.612 7.980 -5.216 326 1HB ALA 46 HB1 ALA 46 -13.929 9.526 -6.798 327 2HB ALA 46 HB2 ALA 46 -14.051 8.317 -8.074 328 3HB ALA 46 HB3 ALA 46 -12.469 8.896 -7.558 329 H THR 47 HN THR 47 -13.115 5.533 -7.658 330 HA THR 47 HA THR 47 -15.744 4.429 -7.018 331 HB THR 47 HB THR 47 -15.870 5.562 -9.208 332 HG1 THR 47 HG1 THR 47 -17.041 3.585 -8.798 333 1HG2 THR 47 HG21 THR 47 -14.519 3.797 -10.892 334 2HG2 THR 47 HG22 THR 47 -13.358 4.260 -9.648 335 3HG2 THR 47 HG23 THR 47 -14.164 5.501 -10.608 336 H CYS 48 HN CYS 48 -13.496 3.631 -5.748 337 HA CYS 48 HA CYS 48 -11.812 1.739 -6.655 338 1HB CYS 48 HB2 CYS 48 -11.782 2.393 -4.346 339 2HB CYS 48 HB1 CYS 48 -13.383 1.714 -4.076 340 HA PRO 49 HA PRO 49 -14.863 -1.274 -8.173 341 1HB PRO 49 HB2 PRO 49 -13.394 -2.241 -10.187 342 2HB PRO 49 HB1 PRO 49 -14.179 -0.661 -10.304 343 1HG PRO 49 HG2 PRO 49 -11.323 -1.318 -9.712 344 2HG PRO 49 HG1 PRO 49 -11.987 -0.036 -10.738 345 1HD PRO 49 HD2 PRO 49 -11.111 0.330 -8.147 346 2HD PRO 49 HD1 PRO 49 -12.275 1.382 -8.973 347 H SER 50 HN SER 50 -15.099 -3.210 -7.248 348 HA SER 50 HA SER 50 -13.121 -4.464 -5.727 349 1HB SER 50 HB2 SER 50 -15.596 -5.738 -6.914 350 2HB SER 50 HB1 SER 50 -14.673 -6.335 -5.535 351 HG SER 50 HG SER 50 -15.756 -5.021 -4.320 352 H LYS 51 HN LYS 51 -11.234 -4.771 -6.950 353 HA LYS 51 HA LYS 51 -11.377 -6.390 -9.336 354 1HB LYS 51 HB2 LYS 51 -8.879 -6.042 -9.366 355 2HB LYS 51 HB1 LYS 51 -9.857 -4.588 -9.498 356 1HG LYS 51 HG2 LYS 51 -8.742 -3.723 -7.799 357 2HG LYS 51 HG1 LYS 51 -9.398 -4.985 -6.756 358 1HD LYS 51 HD2 LYS 51 -7.492 -6.436 -7.709 359 2HD LYS 51 HD1 LYS 51 -6.777 -4.899 -8.194 360 1HE LYS 51 HE2 LYS 51 -7.352 -5.931 -5.439 361 2HE LYS 51 HE1 LYS 51 -5.835 -5.335 -6.098 362 1HZ LYS 51 HZ1 LYS 51 -8.211 -3.610 -5.682 363 2HZ LYS 51 HZ2 LYS 51 -6.639 -3.117 -6.046 364 3HZ LYS 51 HZ3 LYS 51 -6.984 -3.791 -4.535 365 H LYS 52 HN LYS 52 -12.280 -8.201 -8.018 366 HA LYS 52 HA LYS 52 -10.294 -9.669 -6.490 367 1HB LYS 52 HB2 LYS 52 -12.912 -9.381 -6.054 368 2HB LYS 52 HB1 LYS 52 -12.947 -10.864 -6.998 369 1HG LYS 52 HG2 LYS 52 -11.074 -10.601 -4.685 370 2HG LYS 52 HG1 LYS 52 -12.773 -10.995 -4.421 371 1HD LYS 52 HD2 LYS 52 -12.236 -13.126 -4.795 372 2HD LYS 52 HD1 LYS 52 -11.976 -12.685 -6.482 373 1HE LYS 52 HE2 LYS 52 -9.610 -12.101 -5.869 374 2HE LYS 52 HE1 LYS 52 -9.923 -12.785 -4.275 375 1HZ LYS 52 HZ1 LYS 52 -9.488 -14.120 -6.803 376 2HZ LYS 52 HZ2 LYS 52 -10.738 -14.770 -5.867 377 3HZ LYS 52 HZ3 LYS 52 -9.177 -14.653 -5.228 378 HA PRO 53 HA PRO 53 -11.311 -12.121 -10.796 379 1HB PRO 53 HB2 PRO 53 -9.164 -10.291 -11.817 380 2HB PRO 53 HB1 PRO 53 -10.436 -11.137 -12.711 381 1HG PRO 53 HG2 PRO 53 -10.709 -8.565 -12.133 382 2HG PRO 53 HG1 PRO 53 -12.093 -9.666 -12.004 383 1HD PRO 53 HD2 PRO 53 -10.455 -8.424 -9.865 384 2HD PRO 53 HD1 PRO 53 -12.167 -8.888 -9.846 385 H TYR 54 HN TYR 54 -8.550 -10.880 -9.031 386 HA TYR 54 HA TYR 54 -7.463 -13.520 -8.798 387 1HB TYR 54 HB2 TYR 54 -6.630 -12.524 -11.045 388 2HB TYR 54 HB1 TYR 54 -5.594 -11.523 -10.035 389 HD1 TYR 54 HD1 TYR 54 -5.587 -14.363 -11.942 390 HD2 TYR 54 HD2 TYR 54 -4.441 -13.064 -8.057 391 HE1 TYR 54 HE1 TYR 54 -3.953 -16.196 -11.818 392 HE2 TYR 54 HE2 TYR 54 -2.803 -14.893 -7.922 393 HH TYR 54 HH TYR 54 -1.565 -16.367 -9.357 394 H GLU 55 HN GLU 55 -7.032 -10.044 -8.258 395 HA GLU 55 HA GLU 55 -5.430 -10.653 -5.873 396 1HB GLU 55 HB2 GLU 55 -5.916 -7.882 -6.913 397 2HB GLU 55 HB1 GLU 55 -4.562 -8.486 -5.970 398 1HG GLU 55 HG2 GLU 55 -3.449 -8.543 -7.890 399 2HG GLU 55 HG1 GLU 55 -4.408 -9.972 -8.271 400 H GLU 56 HN GLU 56 -5.892 -9.652 -3.858 401 HA GLU 56 HA GLU 56 -8.718 -9.489 -3.311 402 1HB GLU 56 HB2 GLU 56 -6.990 -10.562 -1.791 403 2HB GLU 56 HB1 GLU 56 -6.452 -8.936 -1.394 404 1HG GLU 56 HG2 GLU 56 -7.959 -9.796 0.298 405 2HG GLU 56 HG1 GLU 56 -8.662 -8.403 -0.525 406 H VAL 57 HN VAL 57 -9.868 -7.676 -2.665 407 HA VAL 57 HA VAL 57 -8.475 -5.120 -2.535 408 HB VAL 57 HB VAL 57 -8.943 -5.268 -4.876 409 1HG1 VAL 57 HG11 VAL 57 -10.723 -6.241 -5.792 410 2HG1 VAL 57 HG12 VAL 57 -11.842 -5.343 -4.766 411 3HG1 VAL 57 HG13 VAL 57 -11.090 -6.819 -4.166 412 1HG2 VAL 57 HG21 VAL 57 -9.231 -3.077 -3.934 413 2HG2 VAL 57 HG22 VAL 57 -10.897 -3.449 -3.483 414 3HG2 VAL 57 HG23 VAL 57 -10.451 -3.331 -5.186 415 H THR 58 HN THR 58 -9.317 -3.804 -1.065 416 HA THR 58 HA THR 58 -12.112 -4.198 -0.231 417 HB THR 58 HB THR 58 -10.157 -3.399 1.857 418 HG1 THR 58 HG1 THR 58 -9.106 -5.151 0.857 419 1HG2 THR 58 HG21 THR 58 -12.691 -3.802 2.128 420 2HG2 THR 58 HG22 THR 58 -11.579 -4.435 3.341 421 3HG2 THR 58 HG23 THR 58 -12.249 -5.509 2.112 422 H CYS 59 HN CYS 59 -13.172 -2.386 -0.677 423 HA CYS 59 HA CYS 59 -11.745 0.158 -0.742 424 1HB CYS 59 HB2 CYS 59 -14.640 -0.267 -1.457 425 2HB CYS 59 HB1 CYS 59 -13.559 1.014 -1.995 426 H CYS 60 HN CYS 60 -11.889 1.660 0.788 427 HA CYS 60 HA CYS 60 -14.186 1.676 2.602 428 1HB CYS 60 HB2 CYS 60 -12.851 1.669 4.574 429 2HB CYS 60 HB1 CYS 60 -12.322 0.311 3.587 430 H SER 61 HN SER 61 -14.861 3.669 3.195 431 HA SER 61 HA SER 61 -13.312 5.922 2.118 432 1HB SER 61 HB2 SER 61 -15.722 5.372 1.344 433 2HB SER 61 HB1 SER 61 -16.210 6.091 2.879 434 HG SER 61 HG SER 61 -16.178 7.767 1.493 435 H THR 62 HN THR 62 -12.094 5.556 4.301 436 HA THR 62 HA THR 62 -13.103 7.603 6.105 437 HB THR 62 HB THR 62 -12.226 5.919 7.975 438 HG1 THR 62 HG1 THR 62 -12.590 3.868 7.485 439 1HG2 THR 62 HG21 THR 62 -14.973 6.143 6.823 440 2HG2 THR 62 HG22 THR 62 -14.318 6.913 8.268 441 3HG2 THR 62 HG23 THR 62 -14.627 5.176 8.257 442 H ASP 63 HN ASP 63 -11.515 8.723 7.223 443 HA ASP 63 HA ASP 63 -9.152 9.273 6.103 444 1HB ASP 63 HB2 ASP 63 -9.642 9.215 9.085 445 2HB ASP 63 HB1 ASP 63 -8.379 10.133 8.268 446 H LYS 64 HN LYS 64 -7.670 7.947 5.409 447 HA LYS 64 HA LYS 64 -6.170 6.229 5.272 448 1HB LYS 64 HB2 LYS 64 -5.313 6.206 8.037 449 2HB LYS 64 HB1 LYS 64 -4.440 6.705 6.600 450 1HG LYS 64 HG2 LYS 64 -4.468 8.756 7.436 451 2HG LYS 64 HG1 LYS 64 -6.191 8.797 7.070 452 1HD LYS 64 HD2 LYS 64 -6.798 8.478 9.235 453 2HD LYS 64 HD1 LYS 64 -5.388 7.478 9.592 454 1HE LYS 64 HE2 LYS 64 -3.981 9.394 9.768 455 2HE LYS 64 HE1 LYS 64 -5.244 10.452 9.142 456 1HZ LYS 64 HZ1 LYS 64 -5.047 10.651 11.535 457 2HZ LYS 64 HZ2 LYS 64 -5.327 8.995 11.729 458 3HZ LYS 64 HZ3 LYS 64 -6.551 9.993 11.128 459 H CYS 65 HN CYS 65 -8.581 5.177 5.466 460 HA CYS 65 HA CYS 65 -8.680 3.252 7.625 461 1HB CYS 65 HB2 CYS 65 -10.838 2.611 6.691 462 2HB CYS 65 HB1 CYS 65 -10.733 4.351 6.942 463 H ASN 66 HN ASN 66 -6.845 3.292 5.002 464 HA ASN 66 HA ASN 66 -7.424 0.526 4.225 465 1HB ASN 66 HB2 ASN 66 -5.818 1.138 2.285 466 2HB ASN 66 HB1 ASN 66 -7.452 1.782 2.271 467 1HD2 ASN 66 HD21 ASN 66 -4.733 2.637 1.209 468 2HD2 ASN 66 HD22 ASN 66 -4.630 4.297 1.665 469 HA PRO 67 HA PRO 67 -3.325 0.058 6.326 470 1HB PRO 67 HB2 PRO 67 -3.955 -1.074 8.581 471 2HB PRO 67 HB1 PRO 67 -4.487 0.605 8.345 472 1HG PRO 67 HG2 PRO 67 -6.042 -1.927 7.906 473 2HG PRO 67 HG1 PRO 67 -6.504 -0.516 8.884 474 1HD PRO 67 HD2 PRO 67 -7.271 -0.886 6.256 475 2HD PRO 67 HD1 PRO 67 -7.119 0.703 7.035 476 H HIS 68 HN HIS 68 -2.097 -1.829 6.036 477 HA HIS 68 HA HIS 68 -3.568 -4.096 4.957 478 1HB HIS 68 HB2 HIS 68 -1.594 -4.812 3.877 479 2HB HIS 68 HB1 HIS 68 -1.683 -3.072 3.679 480 HD1 HIS 68 HD1 HIS 68 0.034 -1.651 5.183 481 HD2 HIS 68 HD2 HIS 68 0.707 -5.747 4.948 482 HE1 HIS 68 HE1 HIS 68 2.417 -1.996 5.874 483 HE2 HIS 68 HE2 HIS 68 2.825 -4.455 5.640 484 HA PRO 69 HA PRO 69 -3.087 -7.000 8.142 485 1HB PRO 69 HB2 PRO 69 -1.913 -9.074 6.464 486 2HB PRO 69 HB1 PRO 69 -3.526 -8.979 7.170 487 1HG PRO 69 HG2 PRO 69 -3.044 -8.712 4.514 488 2HG PRO 69 HG1 PRO 69 -4.406 -7.935 5.338 489 1HD PRO 69 HD2 PRO 69 -1.808 -6.770 4.442 490 2HD PRO 69 HD1 PRO 69 -3.431 -6.050 4.437 491 H LYS 70 HN LYS 70 -0.056 -6.878 6.273 492 HA LYS 70 HA LYS 70 1.448 -8.330 8.189 493 1HB LYS 70 HB2 LYS 70 2.243 -8.064 5.912 494 2HB LYS 70 HB1 LYS 70 2.342 -6.326 6.111 495 1HG LYS 70 HG2 LYS 70 3.879 -7.642 8.144 496 2HG LYS 70 HG1 LYS 70 4.351 -8.220 6.547 497 1HD LYS 70 HD2 LYS 70 3.985 -5.315 6.734 498 2HD LYS 70 HD1 LYS 70 5.293 -5.952 7.725 499 1HE LYS 70 HE2 LYS 70 6.543 -5.865 5.885 500 2HE LYS 70 HE1 LYS 70 5.630 -7.270 5.338 501 1HZ LYS 70 HZ1 LYS 70 4.371 -6.018 3.935 502 2HZ LYS 70 HZ2 LYS 70 5.799 -5.116 3.891 503 3HZ LYS 70 HZ3 LYS 70 4.509 -4.612 4.859 504 H GLN 71 HN GLN 71 1.121 -4.887 7.544 505 HA GLN 71 HA GLN 71 1.834 -4.363 10.341 506 1HB GLN 71 HB2 GLN 71 3.055 -3.083 7.909 507 2HB GLN 71 HB1 GLN 71 3.094 -2.308 9.489 508 1HG GLN 71 HG2 GLN 71 4.371 -4.066 10.420 509 2HG GLN 71 HG1 GLN 71 4.126 -5.084 9.000 510 1HE2 GLN 71 HE21 GLN 71 6.021 -2.648 10.456 511 2HE2 GLN 71 HE22 GLN 71 7.143 -2.419 9.162 512 H ARG 72 HN ARG 72 0.706 -2.802 11.336 513 HA ARG 72 HA ARG 72 -0.860 -0.899 9.817 514 1HB ARG 72 HB2 ARG 72 -2.684 -1.993 11.727 515 2HB ARG 72 HB1 ARG 72 -2.853 -1.879 9.985 516 1HG ARG 72 HG2 ARG 72 -1.571 -4.018 9.801 517 2HG ARG 72 HG1 ARG 72 -1.661 -4.151 11.556 518 1HD ARG 72 HD2 ARG 72 -3.905 -4.197 9.558 519 2HD ARG 72 HD1 ARG 72 -3.447 -5.444 10.718 520 HE ARG 72 HE ARG 72 -4.095 -3.355 12.300 521 1HH1 ARG 72 HH11 ARG 72 -5.751 -4.943 9.669 522 2HH1 ARG 72 HH12 ARG 72 -7.330 -4.598 10.290 523 1HH2 ARG 72 HH21 ARG 72 -6.173 -2.902 13.118 524 2HH2 ARG 72 HH22 ARG 72 -7.570 -3.439 12.246 525 HA PRO 73 HA PRO 73 -0.967 0.472 14.351 526 1HB PRO 73 HB2 PRO 73 -0.617 -1.208 16.383 527 2HB PRO 73 HB1 PRO 73 -2.137 -1.193 15.477 528 1HG PRO 73 HG2 PRO 73 0.179 -3.079 15.255 529 2HG PRO 73 HG1 PRO 73 -1.557 -3.438 15.268 530 1HD PRO 73 HD2 PRO 73 -0.023 -3.254 12.986 531 2HD PRO 73 HD1 PRO 73 -1.778 -3.013 13.040 532 H GLY 74 HN GLY 74 1.537 -0.403 12.774 533 1HA GLY 74 HA2 GLY 74 3.678 -0.810 14.527 534 2HA GLY 74 HA1 GLY 74 3.801 -0.078 12.934 535 1H GLU 180 HT1 GLU 180 24.073 14.402 -4.846 536 2H GLU 180 HT2 GLU 180 23.143 13.282 -5.757 537 3H GLU 180 HT3 GLU 180 22.816 13.516 -4.088 538 HA GLU 180 HA GLU 180 21.950 15.598 -4.413 539 1HB GLU 180 HB2 GLU 180 22.166 16.809 -6.513 540 2HB GLU 180 HB1 GLU 180 23.756 16.341 -5.926 541 1HG GLU 180 HG2 GLU 180 23.124 14.234 -7.524 542 2HG GLU 180 HG1 GLU 180 22.342 15.571 -8.367 543 H GLU 181 HN GLU 181 20.802 13.116 -4.397 544 HA GLU 181 HA GLU 181 18.687 13.404 -6.423 545 1HB GLU 181 HB2 GLU 181 20.293 11.021 -5.699 546 2HB GLU 181 HB1 GLU 181 18.573 10.757 -5.947 547 1HG GLU 181 HG2 GLU 181 20.429 12.050 -7.931 548 2HG GLU 181 HG1 GLU 181 19.904 10.368 -7.971 549 H ARG 182 HN ARG 182 16.694 13.551 -5.621 550 HA ARG 182 HA ARG 182 16.315 13.066 -2.758 551 1HB ARG 182 HB2 ARG 182 14.469 14.479 -4.688 552 2HB ARG 182 HB1 ARG 182 14.345 14.460 -2.935 553 1HG ARG 182 HG2 ARG 182 16.519 15.752 -4.569 554 2HG ARG 182 HG1 ARG 182 15.241 16.570 -3.667 555 1HD ARG 182 HD2 ARG 182 17.566 14.994 -2.593 556 2HD ARG 182 HD1 ARG 182 17.184 16.694 -2.324 557 HE ARG 182 HE ARG 182 15.040 15.429 -1.286 558 1HH1 ARG 182 HH11 ARG 182 18.476 15.027 -0.823 559 2HH1 ARG 182 HH12 ARG 182 18.318 14.476 0.811 560 1HH2 ARG 182 HH21 ARG 182 14.831 14.706 0.864 561 2HH2 ARG 182 HH22 ARG 182 16.249 14.292 1.768 562 H GLY 183 HN GLY 183 14.684 11.747 -1.956 563 1HA GLY 183 HA2 GLY 183 13.688 9.768 -3.885 564 2HA GLY 183 HA1 GLY 183 13.815 9.535 -2.148 565 H TRP 184 HN TRP 184 11.741 10.186 -4.683 566 HA TRP 184 HA TRP 184 9.833 11.819 -3.378 567 1HB TRP 184 HB2 TRP 184 8.286 10.821 -5.224 568 2HB TRP 184 HB1 TRP 184 9.592 11.909 -5.661 569 HD1 TRP 184 HD1 TRP 184 9.736 10.940 -8.106 570 HE1 TRP 184 HE1 TRP 184 10.725 8.776 -9.074 571 HE3 TRP 184 HE3 TRP 184 10.241 8.228 -3.767 572 HZ2 TRP 184 HZ2 TRP 184 11.597 6.270 -8.148 573 HZ3 TRP 184 HZ3 TRP 184 11.156 5.960 -3.923 574 HH2 TRP 184 HH2 TRP 184 11.823 5.001 -6.061 575 H LYS 185 HN LYS 185 8.154 9.133 -4.581 576 HA LYS 185 HA LYS 185 7.909 7.922 -1.933 577 1HB LYS 185 HB2 LYS 185 5.966 9.640 -3.180 578 2HB LYS 185 HB1 LYS 185 5.292 8.041 -2.959 579 1HG LYS 185 HG2 LYS 185 5.988 8.179 -0.558 580 2HG LYS 185 HG1 LYS 185 6.394 9.870 -0.850 581 1HD LYS 185 HD2 LYS 185 3.770 9.187 -1.849 582 2HD LYS 185 HD1 LYS 185 3.928 8.831 -0.130 583 1HE LYS 185 HE2 LYS 185 5.091 11.275 -0.255 584 2HE LYS 185 HE1 LYS 185 3.886 11.418 -1.534 585 1HZ LYS 185 HZ1 LYS 185 2.349 10.406 0.308 586 2HZ LYS 185 HZ2 LYS 185 2.672 12.065 0.266 587 3HZ LYS 185 HZ3 LYS 185 3.506 11.071 1.351 588 H HIS 186 HN HIS 186 8.643 5.896 -2.448 589 HA HIS 186 HA HIS 186 6.996 4.345 -4.306 590 1HB HIS 186 HB2 HIS 186 9.162 5.127 -5.427 591 2HB HIS 186 HB1 HIS 186 9.998 4.051 -4.319 592 HD1 HIS 186 HD1 HIS 186 8.221 1.578 -4.441 593 HD2 HIS 186 HD2 HIS 186 9.286 3.805 -7.782 594 HE1 HIS 186 HE1 HIS 186 7.981 0.014 -6.394 595 HE2 HIS 186 HE2 HIS 186 8.534 1.412 -8.414 596 H TRP 187 HN TRP 187 6.320 2.510 -3.322 597 HA TRP 187 HA TRP 187 7.993 1.325 -1.196 598 1HB TRP 187 HB2 TRP 187 5.493 2.698 -0.872 599 2HB TRP 187 HB1 TRP 187 5.329 1.035 -0.358 600 HD1 TRP 187 HD1 TRP 187 6.568 4.350 0.769 601 HE1 TRP 187 HE1 TRP 187 7.656 4.159 3.068 602 HE3 TRP 187 HE3 TRP 187 6.845 -0.735 1.128 603 HZ2 TRP 187 HZ2 TRP 187 8.510 2.145 4.826 604 HZ3 TRP 187 HZ3 TRP 187 7.820 -1.704 3.143 605 HH2 TRP 187 HH2 TRP 187 8.627 -0.296 4.971 606 H VAL 188 HN VAL 188 7.255 -0.753 -0.513 607 HA VAL 188 HA VAL 188 5.461 -2.254 -2.185 608 HB VAL 188 HB VAL 188 8.108 -3.575 -1.809 609 1HG1 VAL 188 HG11 VAL 188 7.467 -4.806 -3.735 610 2HG1 VAL 188 HG12 VAL 188 6.216 -3.635 -4.153 611 3HG1 VAL 188 HG13 VAL 188 6.021 -4.666 -2.736 612 1HG2 VAL 188 HG21 VAL 188 8.770 -1.422 -2.724 613 2HG2 VAL 188 HG22 VAL 188 7.572 -1.579 -4.009 614 3HG2 VAL 188 HG23 VAL 188 8.943 -2.686 -3.942 615 H TYR 189 HN TYR 189 4.181 -2.610 -0.403 616 HA TYR 189 HA TYR 189 5.459 -3.746 1.983 617 1HB TYR 189 HB2 TYR 189 2.949 -2.242 1.459 618 2HB TYR 189 HB1 TYR 189 2.901 -3.443 2.748 619 HD1 TYR 189 HD1 TYR 189 3.129 -0.134 2.316 620 HD2 TYR 189 HD2 TYR 189 5.385 -3.232 4.128 621 HE1 TYR 189 HE1 TYR 189 4.117 1.504 3.847 622 HE2 TYR 189 HE2 TYR 189 6.387 -1.610 5.675 623 HH TYR 189 HH TYR 189 6.002 1.797 5.264 624 H TYR 190 HN TYR 190 5.557 -5.868 2.125 625 HA TYR 190 HA TYR 190 3.621 -7.497 0.655 626 1HB TYR 190 HB2 TYR 190 6.246 -8.220 1.976 627 2HB TYR 190 HB1 TYR 190 5.200 -9.370 1.157 628 HD1 TYR 190 HD1 TYR 190 6.208 -10.071 -0.781 629 HD2 TYR 190 HD2 TYR 190 6.425 -5.952 0.236 630 HE1 TYR 190 HE1 TYR 190 7.383 -9.629 -2.882 631 HE2 TYR 190 HE2 TYR 190 7.599 -5.498 -1.864 632 HH TYR 190 HH TYR 190 7.807 -7.775 -4.398 633 H THR 191 HN THR 191 2.207 -8.918 1.681 634 HA THR 191 HA THR 191 2.007 -8.558 4.553 635 HB THR 191 HB THR 191 -0.065 -9.492 4.527 636 HG1 THR 191 HG1 THR 191 0.111 -11.458 3.704 637 1HG2 THR 191 HG21 THR 191 -0.153 -7.534 3.111 638 2HG2 THR 191 HG22 THR 191 -1.310 -8.760 2.579 639 3HG2 THR 191 HG23 THR 191 0.208 -8.540 1.702 640 H CYS 192 HN CYS 192 2.801 -9.827 6.009 641 HA CYS 192 HA CYS 192 2.859 -12.556 6.175 642 1HB CYS 192 HB2 CYS 192 4.140 -13.295 4.442 643 2HB CYS 192 HB1 CYS 192 4.739 -11.678 4.095 644 H CYS 193 HN CYS 193 5.165 -9.970 6.147 645 HA CYS 193 HA CYS 193 6.069 -10.777 8.826 646 1HB CYS 193 HB2 CYS 193 8.255 -9.787 7.306 647 2HB CYS 193 HB1 CYS 193 7.981 -11.440 7.858 648 HA PRO 194 HA PRO 194 5.539 -6.373 9.458 649 1HB PRO 194 HB2 PRO 194 5.156 -6.464 12.061 650 2HB PRO 194 HB1 PRO 194 3.971 -7.195 10.972 651 1HG PRO 194 HG2 PRO 194 6.151 -8.526 12.536 652 2HG PRO 194 HG1 PRO 194 4.445 -8.992 12.383 653 1HD PRO 194 HD2 PRO 194 6.488 -10.066 10.879 654 2HD PRO 194 HD1 PRO 194 4.786 -10.025 10.374 655 H ASP 195 HN ASP 195 8.248 -7.971 9.549 656 HA ASP 195 HA ASP 195 9.654 -5.915 11.112 657 1HB ASP 195 HB2 ASP 195 10.069 -8.891 11.136 658 2HB ASP 195 HB1 ASP 195 11.377 -7.791 11.560 659 H THR 196 HN THR 196 9.211 -7.232 8.087 660 HA THR 196 HA THR 196 11.765 -6.116 7.213 661 HB THR 196 HB THR 196 12.364 -8.373 7.227 662 HG1 THR 196 HG1 THR 196 12.546 -8.882 5.052 663 1HG2 THR 196 HG21 THR 196 10.178 -9.357 7.634 664 2HG2 THR 196 HG22 THR 196 11.033 -10.186 6.334 665 3HG2 THR 196 HG23 THR 196 9.730 -9.060 5.956 666 HA PRO 197 HA PRO 197 8.242 -4.848 4.427 667 1HB PRO 197 HB2 PRO 197 8.267 -2.212 4.915 668 2HB PRO 197 HB1 PRO 197 7.418 -3.330 5.988 669 1HG PRO 197 HG2 PRO 197 10.098 -2.045 6.326 670 2HG PRO 197 HG1 PRO 197 8.816 -2.293 7.525 671 1HD PRO 197 HD2 PRO 197 11.030 -3.905 7.272 672 2HD PRO 197 HD1 PRO 197 9.487 -4.432 7.970 673 H TYR 198 HN TYR 198 8.614 -4.028 2.296 674 HA TYR 198 HA TYR 198 11.430 -3.344 1.820 675 1HB TYR 198 HB2 TYR 198 9.415 -4.034 -0.314 676 2HB TYR 198 HB1 TYR 198 11.167 -4.093 -0.412 677 HD1 TYR 198 HD1 TYR 198 10.931 -5.488 2.605 678 HD2 TYR 198 HD2 TYR 198 9.637 -6.296 -1.355 679 HE1 TYR 198 HE1 TYR 198 10.815 -7.879 3.138 680 HE2 TYR 198 HE2 TYR 198 9.518 -8.664 -0.843 681 HH TYR 198 HH TYR 198 10.737 -9.985 2.151 682 H LEU 199 HN LEU 199 11.946 -1.325 1.640 683 HA LEU 199 HA LEU 199 9.937 0.685 0.931 684 1HB LEU 199 HB2 LEU 199 11.522 0.667 3.004 685 2HB LEU 199 HB1 LEU 199 12.721 1.262 1.876 686 HG LEU 199 HG LEU 199 10.106 2.616 2.532 687 1HD1 LEU 199 HD11 LEU 199 11.954 4.304 3.413 688 2HD1 LEU 199 HD12 LEU 199 12.873 2.814 3.600 689 3HD1 LEU 199 HD13 LEU 199 11.328 3.004 4.425 690 1HD2 LEU 199 HD21 LEU 199 11.718 4.491 1.399 691 2HD2 LEU 199 HD22 LEU 199 10.471 3.593 0.538 692 3HD2 LEU 199 HD23 LEU 199 12.149 3.058 0.467 693 H ASP 200 HN ASP 200 10.254 2.195 -0.728 694 HA ASP 200 HA ASP 200 12.552 1.707 -2.490 695 1HB ASP 200 HB2 ASP 200 9.659 1.620 -3.147 696 2HB ASP 200 HB1 ASP 200 10.735 2.343 -4.339 697 H ILE 201 HN ILE 201 13.712 3.424 -2.768 698 HA ILE 201 HA ILE 201 12.459 6.089 -2.640 699 HB ILE 201 HB ILE 201 14.636 6.963 -1.920 700 1HG1 ILE 201 HG12 ILE 201 16.029 4.726 -1.018 701 2HG1 ILE 201 HG11 ILE 201 15.497 4.274 -2.634 702 1HG2 ILE 201 HG21 ILE 201 13.459 4.746 -0.265 703 2HG2 ILE 201 HG22 ILE 201 13.111 6.473 -0.177 704 3HG2 ILE 201 HG23 ILE 201 14.681 5.861 0.344 705 1HD1 ILE 201 HD11 ILE 201 17.776 5.441 -2.318 706 2HD1 ILE 201 HD12 ILE 201 16.812 6.911 -2.177 707 3HD1 ILE 201 HD13 ILE 201 16.727 5.938 -3.645 708 H THR 202 HN THR 202 14.363 7.663 -3.712 709 HA THR 202 HA THR 202 14.372 6.801 -6.493 710 HB THR 202 HB THR 202 15.117 9.450 -5.241 711 HG1 THR 202 HG1 THR 202 12.827 8.643 -5.284 712 1HG2 THR 202 HG21 THR 202 16.193 9.022 -7.459 713 2HG2 THR 202 HG22 THR 202 15.115 10.416 -7.399 714 3HG2 THR 202 HG23 THR 202 14.572 8.912 -8.144 715 H GLU 203 HN GLU 203 16.071 5.850 -7.373 716 HA GLU 203 HA GLU 203 18.761 6.643 -6.537 717 1HB GLU 203 HB2 GLU 203 17.550 3.944 -6.268 718 2HB GLU 203 HB1 GLU 203 19.208 4.016 -6.846 719 1HG GLU 203 HG2 GLU 203 20.019 4.763 -4.862 720 2HG GLU 203 HG1 GLU 203 18.530 5.609 -4.444 721 H GLU 204 HN GLU 204 19.787 7.276 -8.308 722 HA GLU 204 HA GLU 204 19.356 5.768 -10.800 723 1HB GLU 204 HB2 GLU 204 19.583 7.866 -12.060 724 2HB GLU 204 HB1 GLU 204 18.204 7.911 -10.969 725 1HG GLU 204 HG2 GLU 204 19.038 9.609 -9.783 726 2HG GLU 204 HG1 GLU 204 20.675 8.956 -9.810 Start of MODEL 10 1 1H ILE 1 HT1 ILE 1 -11.074 13.387 1.658 2 2H ILE 1 HT2 ILE 1 -10.489 14.537 2.789 3 3H ILE 1 HT3 ILE 1 -12.120 14.009 2.867 4 HA ILE 1 HA ILE 1 -10.988 12.926 4.559 5 HB ILE 1 HB ILE 1 -10.911 10.793 2.478 6 1HG1 ILE 1 HG12 ILE 1 -12.815 12.332 1.879 7 2HG1 ILE 1 HG11 ILE 1 -13.306 10.692 2.289 8 1HG2 ILE 1 HG21 ILE 1 -10.685 9.819 4.519 9 2HG2 ILE 1 HG22 ILE 1 -12.445 9.826 4.410 10 3HG2 ILE 1 HG23 ILE 1 -11.615 11.069 5.345 11 1HD1 ILE 1 HD11 ILE 1 -14.187 13.133 3.406 12 2HD1 ILE 1 HD12 ILE 1 -13.334 12.237 4.664 13 3HD1 ILE 1 HD13 ILE 1 -14.687 11.490 3.813 14 H VAL 2 HN VAL 2 -9.355 11.330 5.157 15 HA VAL 2 HA VAL 2 -6.776 12.002 3.936 16 HB VAL 2 HB VAL 2 -7.477 10.718 6.593 17 1HG1 VAL 2 HG11 VAL 2 -5.029 11.184 7.096 18 2HG1 VAL 2 HG12 VAL 2 -4.812 11.390 5.358 19 3HG1 VAL 2 HG13 VAL 2 -5.364 9.843 5.999 20 1HG2 VAL 2 HG21 VAL 2 -6.271 13.435 6.090 21 2HG2 VAL 2 HG22 VAL 2 -6.887 12.783 7.610 22 3HG2 VAL 2 HG23 VAL 2 -8.001 13.159 6.296 23 H CYS 3 HN CYS 3 -5.154 10.128 3.844 24 HA CYS 3 HA CYS 3 -6.410 7.518 3.643 25 1HB CYS 3 HB2 CYS 3 -6.445 8.878 1.371 26 2HB CYS 3 HB1 CYS 3 -4.784 8.296 1.271 27 H HIS 4 HN HIS 4 -4.943 5.769 3.457 28 HA HIS 4 HA HIS 4 -2.217 6.382 4.415 29 1HB HIS 4 HB2 HIS 4 -4.233 4.326 5.197 30 2HB HIS 4 HB1 HIS 4 -2.541 3.846 5.211 31 HD1 HIS 4 HD1 HIS 4 -3.992 3.838 7.821 32 HD2 HIS 4 HD2 HIS 4 -2.028 7.197 6.372 33 HE1 HIS 4 HE1 HIS 4 -3.407 5.203 9.856 34 HE2 HIS 4 HE2 HIS 4 -2.153 7.198 8.958 35 H THR 5 HN THR 5 -1.666 6.497 2.085 36 HA THR 5 HA THR 5 -1.736 3.981 0.653 37 HB THR 5 HB THR 5 -2.223 5.876 -0.705 38 HG1 THR 5 HG1 THR 5 -1.036 4.731 -2.028 39 1HG2 THR 5 HG21 THR 5 -1.310 7.688 0.560 40 2HG2 THR 5 HG22 THR 5 -0.611 7.712 -1.059 41 3HG2 THR 5 HG23 THR 5 0.331 7.099 0.300 42 H THR 6 HN THR 6 0.414 3.558 -0.620 43 HA THR 6 HA THR 6 2.656 3.700 1.234 44 HB THR 6 HB THR 6 3.132 1.361 0.367 45 HG1 THR 6 HG1 THR 6 1.805 0.704 -1.098 46 1HG2 THR 6 HG21 THR 6 1.520 0.276 1.896 47 2HG2 THR 6 HG22 THR 6 0.722 1.838 2.083 48 3HG2 THR 6 HG23 THR 6 2.386 1.630 2.626 49 H ALA 7 HN ALA 7 4.028 5.063 0.115 50 HA ALA 7 HA ALA 7 4.933 4.135 -2.475 51 1HB ALA 7 HB1 ALA 7 4.320 5.962 -3.754 52 2HB ALA 7 HB2 ALA 7 3.950 6.945 -2.337 53 3HB ALA 7 HB3 ALA 7 2.896 5.606 -2.780 54 H THR 8 HN THR 8 5.302 6.954 -0.234 55 HA THR 8 HA THR 8 7.909 7.485 -1.255 56 HB THR 8 HB THR 8 6.774 9.348 -0.443 57 HG1 THR 8 HG1 THR 8 8.966 9.360 0.158 58 1HG2 THR 8 HG21 THR 8 6.550 8.979 2.350 59 2HG2 THR 8 HG22 THR 8 5.751 7.624 1.553 60 3HG2 THR 8 HG23 THR 8 5.278 9.279 1.170 61 H SER 9 HN SER 9 8.971 8.012 1.630 62 HA SER 9 HA SER 9 10.608 5.701 1.670 63 1HB SER 9 HB2 SER 9 10.415 7.423 4.104 64 2HB SER 9 HB1 SER 9 11.837 6.752 3.312 65 HG SER 9 HG SER 9 10.497 9.121 2.835 66 HA PRO 10 HA PRO 10 7.808 4.135 5.115 67 1HB PRO 10 HB2 PRO 10 6.515 5.823 6.715 68 2HB PRO 10 HB1 PRO 10 8.283 5.758 6.766 69 1HG PRO 10 HG2 PRO 10 6.525 7.863 5.703 70 2HG PRO 10 HG1 PRO 10 8.225 7.963 6.188 71 1HD PRO 10 HD2 PRO 10 7.080 7.543 3.526 72 2HD PRO 10 HD1 PRO 10 8.750 7.951 3.966 73 H ILE 11 HN ILE 11 5.230 4.268 5.923 74 HA ILE 11 HA ILE 11 3.722 4.032 3.534 75 HB ILE 11 HB ILE 11 2.594 4.483 6.303 76 1HG1 ILE 11 HG12 ILE 11 2.502 1.734 5.487 77 2HG1 ILE 11 HG11 ILE 11 4.164 2.310 5.369 78 1HG2 ILE 11 HG21 ILE 11 0.940 4.765 4.584 79 2HG2 ILE 11 HG22 ILE 11 0.657 3.230 5.406 80 3HG2 ILE 11 HG23 ILE 11 1.425 3.252 3.818 81 1HD1 ILE 11 HD11 ILE 11 4.323 1.867 7.534 82 2HD1 ILE 11 HD12 ILE 11 2.577 1.684 7.703 83 3HD1 ILE 11 HD13 ILE 11 3.309 3.286 7.803 84 H SER 12 HN SER 12 2.552 5.584 2.401 85 HA SER 12 HA SER 12 2.936 8.325 3.325 86 1HB SER 12 HB2 SER 12 1.933 8.667 0.866 87 2HB SER 12 HB1 SER 12 3.636 8.312 1.144 88 HG SER 12 HG SER 12 3.091 6.803 -0.286 89 H ALA 13 HN ALA 13 1.384 9.427 4.239 90 HA ALA 13 HA ALA 13 -1.400 8.596 3.801 91 1HB ALA 13 HB1 ALA 13 -0.387 8.457 6.146 92 2HB ALA 13 HB2 ALA 13 -1.940 9.276 5.979 93 3HB ALA 13 HB3 ALA 13 -0.459 10.219 6.145 94 H VAL 14 HN VAL 14 -2.443 9.904 2.449 95 HA VAL 14 HA VAL 14 -2.051 12.800 2.723 96 HB VAL 14 HB VAL 14 -2.194 13.004 0.219 97 1HG1 VAL 14 HG11 VAL 14 -0.057 12.916 1.772 98 2HG1 VAL 14 HG12 VAL 14 0.081 13.022 0.017 99 3HG1 VAL 14 HG13 VAL 14 0.276 11.467 0.825 100 1HG2 VAL 14 HG21 VAL 14 -1.190 10.226 -0.040 101 2HG2 VAL 14 HG22 VAL 14 -2.099 11.213 -1.182 102 3HG2 VAL 14 HG23 VAL 14 -2.926 10.447 0.175 103 H THR 15 HN THR 15 -3.777 14.087 1.840 104 HA THR 15 HA THR 15 -6.356 12.765 2.138 105 HB THR 15 HB THR 15 -5.553 15.674 1.989 106 HG1 THR 15 HG1 THR 15 -6.404 13.963 4.064 107 1HG2 THR 15 HG21 THR 15 -8.087 14.659 1.374 108 2HG2 THR 15 HG22 THR 15 -7.640 16.333 1.705 109 3HG2 THR 15 HG23 THR 15 -8.191 15.291 3.018 110 H CYS 16 HN CYS 16 -7.661 12.298 0.486 111 HA CYS 16 HA CYS 16 -6.777 12.781 -2.202 112 1HB CYS 16 HB2 CYS 16 -9.471 11.672 -1.467 113 2HB CYS 16 HB1 CYS 16 -8.490 11.322 -2.884 114 HA PRO 17 HA PRO 17 -8.875 16.538 -3.170 115 1HB PRO 17 HB2 PRO 17 -9.703 15.245 -5.709 116 2HB PRO 17 HB1 PRO 17 -8.785 16.731 -5.452 117 1HG PRO 17 HG2 PRO 17 -7.586 14.507 -6.308 118 2HG PRO 17 HG1 PRO 17 -6.783 15.606 -5.171 119 1HD PRO 17 HD2 PRO 17 -8.105 12.976 -4.656 120 2HD PRO 17 HD1 PRO 17 -6.633 13.660 -3.936 121 HA PRO 18 HA PRO 18 -13.214 16.305 -2.424 122 1HB PRO 18 HB2 PRO 18 -14.312 17.778 -4.501 123 2HB PRO 18 HB1 PRO 18 -13.654 18.458 -3.012 124 1HG PRO 18 HG2 PRO 18 -12.383 18.193 -5.702 125 2HG PRO 18 HG1 PRO 18 -12.282 19.527 -4.538 126 1HD PRO 18 HD2 PRO 18 -10.277 17.775 -4.829 127 2HD PRO 18 HD1 PRO 18 -10.700 18.437 -3.236 128 H GLY 19 HN GLY 19 -12.102 15.497 -5.643 129 1HA GLY 19 HA2 GLY 19 -14.514 14.277 -6.544 130 2HA GLY 19 HA1 GLY 19 -12.913 14.045 -7.235 131 H GLU 20 HN GLU 20 -11.449 12.569 -6.024 132 HA GLU 20 HA GLU 20 -12.970 10.231 -5.157 133 1HB GLU 20 HB2 GLU 20 -10.971 8.952 -5.566 134 2HB GLU 20 HB1 GLU 20 -11.254 10.002 -6.947 135 1HG GLU 20 HG2 GLU 20 -9.427 10.910 -4.775 136 2HG GLU 20 HG1 GLU 20 -8.864 9.724 -5.949 137 H ASN 21 HN ASN 21 -12.822 9.338 -3.145 138 HA ASN 21 HA ASN 21 -10.883 10.447 -1.253 139 1HB ASN 21 HB2 ASN 21 -13.684 10.186 -0.268 140 2HB ASN 21 HB1 ASN 21 -12.402 11.271 0.262 141 1HD2 ASN 21 HD21 ASN 21 -14.467 10.604 -2.522 142 2HD2 ASN 21 HD22 ASN 21 -14.710 12.259 -2.966 143 H LEU 22 HN LEU 22 -12.094 7.768 -2.597 144 HA LEU 22 HA LEU 22 -12.462 6.173 -0.239 145 1HB LEU 22 HB2 LEU 22 -12.861 5.881 -3.099 146 2HB LEU 22 HB1 LEU 22 -12.154 4.445 -2.384 147 HG LEU 22 HG LEU 22 -13.986 4.262 -0.827 148 1HD1 LEU 22 HD11 LEU 22 -14.597 6.464 -0.329 149 2HD1 LEU 22 HD12 LEU 22 -15.982 5.802 -1.198 150 3HD1 LEU 22 HD13 LEU 22 -14.849 6.869 -2.027 151 1HD2 LEU 22 HD21 LEU 22 -15.891 4.110 -2.590 152 2HD2 LEU 22 HD22 LEU 22 -14.485 3.056 -2.731 153 3HD2 LEU 22 HD23 LEU 22 -14.610 4.499 -3.736 154 H CYS 23 HN CYS 23 -11.094 4.686 0.616 155 HA CYS 23 HA CYS 23 -8.317 4.704 -0.373 156 1HB CYS 23 HB2 CYS 23 -9.445 4.400 2.388 157 2HB CYS 23 HB1 CYS 23 -7.780 4.006 2.003 158 H TYR 24 HN TYR 24 -7.899 2.860 -1.472 159 HA TYR 24 HA TYR 24 -9.331 0.440 -0.709 160 1HB TYR 24 HB2 TYR 24 -8.573 -0.513 -2.798 161 2HB TYR 24 HB1 TYR 24 -9.243 1.086 -3.102 162 HD1 TYR 24 HD1 TYR 24 -7.746 2.974 -3.606 163 HD2 TYR 24 HD2 TYR 24 -6.251 -0.998 -3.235 164 HE1 TYR 24 HE1 TYR 24 -5.677 3.649 -4.733 165 HE2 TYR 24 HE2 TYR 24 -4.184 -0.326 -4.356 166 HH TYR 24 HH TYR 24 -3.773 2.064 -6.199 167 H ARG 25 HN ARG 25 -8.311 -1.545 -0.412 168 HA ARG 25 HA ARG 25 -5.518 -1.400 0.507 169 1HB ARG 25 HB2 ARG 25 -7.883 -2.827 1.730 170 2HB ARG 25 HB1 ARG 25 -6.223 -3.191 2.164 171 1HG ARG 25 HG2 ARG 25 -6.423 -0.429 2.411 172 2HG ARG 25 HG1 ARG 25 -7.940 -1.054 3.058 173 1HD ARG 25 HD2 ARG 25 -6.007 -0.790 4.688 174 2HD ARG 25 HD1 ARG 25 -6.841 -2.340 4.685 175 HE ARG 25 HE ARG 25 -4.170 -1.799 3.598 176 1HH1 ARG 25 HH11 ARG 25 -6.652 -4.097 4.492 177 2HH1 ARG 25 HH12 ARG 25 -5.594 -5.460 4.372 178 1HH2 ARG 25 HH21 ARG 25 -2.799 -3.590 3.438 179 2HH2 ARG 25 HH22 ARG 25 -3.416 -5.174 3.766 180 H LYS 26 HN LYS 26 -4.916 -2.156 -1.624 181 HA LYS 26 HA LYS 26 -5.976 -4.622 -2.613 182 1HB LYS 26 HB2 LYS 26 -5.227 -3.155 -4.276 183 2HB LYS 26 HB1 LYS 26 -3.715 -2.837 -3.441 184 1HG LYS 26 HG2 LYS 26 -2.690 -4.516 -4.487 185 2HG LYS 26 HG1 LYS 26 -3.987 -5.637 -4.115 186 1HD LYS 26 HD2 LYS 26 -4.242 -3.598 -6.295 187 2HD LYS 26 HD1 LYS 26 -3.529 -5.192 -6.572 188 1HE LYS 26 HE2 LYS 26 -5.671 -6.043 -5.369 189 2HE LYS 26 HE1 LYS 26 -6.321 -4.465 -5.826 190 1HZ LYS 26 HZ1 LYS 26 -6.491 -6.566 -7.404 191 2HZ LYS 26 HZ2 LYS 26 -4.986 -5.993 -7.920 192 3HZ LYS 26 HZ3 LYS 26 -6.348 -4.995 -8.011 193 H MET 27 HN MET 27 -5.085 -6.647 -2.674 194 HA MET 27 HA MET 27 -2.489 -7.118 -1.581 195 1HB MET 27 HB2 MET 27 -4.954 -7.897 -0.053 196 2HB MET 27 HB1 MET 27 -3.449 -8.786 0.134 197 1HG MET 27 HG2 MET 27 -3.102 -7.329 1.797 198 2HG MET 27 HG1 MET 27 -2.556 -6.277 0.491 199 1HE MET 27 HE1 MET 27 -6.666 -6.060 2.567 200 2HE MET 27 HE2 MET 27 -5.350 -7.141 3.027 201 3HE MET 27 HE3 MET 27 -6.229 -7.412 1.523 202 H TRP 28 HN TRP 28 -1.576 -8.750 -2.597 203 HA TRP 28 HA TRP 28 -3.234 -10.978 -3.509 204 1HB TRP 28 HB2 TRP 28 -2.353 -10.987 -5.742 205 2HB TRP 28 HB1 TRP 28 -3.051 -9.407 -5.420 206 HD1 TRP 28 HD1 TRP 28 0.374 -11.115 -5.807 207 HE1 TRP 28 HE1 TRP 28 2.093 -9.308 -6.476 208 HE3 TRP 28 HE3 TRP 28 -2.591 -7.020 -5.355 209 HZ2 TRP 28 HZ2 TRP 28 2.160 -6.482 -6.763 210 HZ3 TRP 28 HZ3 TRP 28 -1.646 -4.798 -5.834 211 HH2 TRP 28 HH2 TRP 28 0.679 -4.523 -6.503 212 H CYS 29 HN CYS 29 -1.261 -12.362 -4.918 213 HA CYS 29 HA CYS 29 0.535 -13.017 -2.689 214 1HB CYS 29 HB2 CYS 29 -1.163 -14.679 -3.967 215 2HB CYS 29 HB1 CYS 29 0.284 -14.922 -4.939 216 H ASP 30 HN ASP 30 2.518 -12.342 -2.806 217 HA ASP 30 HA ASP 30 3.940 -12.622 -5.335 218 1HB ASP 30 HB2 ASP 30 3.030 -10.172 -4.659 219 2HB ASP 30 HB1 ASP 30 4.592 -10.160 -3.846 220 H ALA 31 HN ALA 31 5.173 -14.221 -4.635 221 HA ALA 31 HA ALA 31 7.183 -14.972 -3.840 222 1HB ALA 31 HB1 ALA 31 7.510 -13.280 -1.542 223 2HB ALA 31 HB2 ALA 31 7.356 -12.357 -3.032 224 3HB ALA 31 HB3 ALA 31 8.600 -13.591 -2.882 225 H PHE 32 HN PHE 32 4.504 -14.179 -1.614 226 HA PHE 32 HA PHE 32 5.360 -16.067 0.357 227 1HB PHE 32 HB2 PHE 32 3.387 -14.239 0.386 228 2HB PHE 32 HB1 PHE 32 2.444 -15.652 -0.034 229 HD1 PHE 32 HD1 PHE 32 1.188 -15.886 1.946 230 HD2 PHE 32 HD2 PHE 32 5.435 -15.626 2.135 231 HE1 PHE 32 HE1 PHE 32 1.120 -16.559 4.312 232 HE2 PHE 32 HE2 PHE 32 5.371 -16.302 4.504 233 HZ PHE 32 HZ PHE 32 3.212 -16.768 5.593 234 H CYS 33 HN CYS 33 3.652 -16.101 -2.617 235 HA CYS 33 HA CYS 33 2.876 -18.861 -2.461 236 1HB CYS 33 HB2 CYS 33 2.731 -16.676 -4.524 237 2HB CYS 33 HB1 CYS 33 2.501 -18.352 -5.023 238 H SER 34 HN SER 34 5.400 -16.830 -3.709 239 HA SER 34 HA SER 34 6.842 -19.058 -4.899 240 1HB SER 34 HB2 SER 34 8.282 -16.534 -4.863 241 2HB SER 34 HB1 SER 34 7.773 -17.514 -6.237 242 HG SER 34 HG SER 34 6.648 -15.662 -6.448 243 H SER 35 HN SER 35 8.077 -16.336 -2.944 244 HA SER 35 HA SER 35 9.257 -18.244 -1.069 245 1HB SER 35 HB2 SER 35 11.472 -17.264 -1.261 246 2HB SER 35 HB1 SER 35 10.923 -17.855 -2.829 247 HG SER 35 HG SER 35 10.663 -15.822 -3.528 248 H ARG 36 HN ARG 36 9.024 -14.688 -1.682 249 HA ARG 36 HA ARG 36 9.572 -14.094 1.045 250 1HB ARG 36 HB2 ARG 36 8.353 -12.004 -0.705 251 2HB ARG 36 HB1 ARG 36 9.567 -11.852 0.544 252 1HG ARG 36 HG2 ARG 36 10.971 -13.309 -1.171 253 2HG ARG 36 HG1 ARG 36 9.861 -12.546 -2.311 254 1HD ARG 36 HD2 ARG 36 11.531 -10.989 -2.273 255 2HD ARG 36 HD1 ARG 36 10.484 -10.371 -0.996 256 HE ARG 36 HE ARG 36 12.347 -12.111 0.157 257 1HH1 ARG 36 HH11 ARG 36 12.264 -9.010 -1.441 258 2HH1 ARG 36 HH12 ARG 36 13.656 -8.402 -0.610 259 1HH2 ARG 36 HH21 ARG 36 14.181 -11.314 1.252 260 2HH2 ARG 36 HH22 ARG 36 14.745 -9.712 0.919 261 H GLY 37 HN GLY 37 6.685 -12.483 -0.386 262 1HA GLY 37 HA2 GLY 37 4.980 -13.888 1.482 263 2HA GLY 37 HA1 GLY 37 5.348 -12.248 1.950 264 H LYS 38 HN LYS 38 3.165 -11.703 1.871 265 HA LYS 38 HA LYS 38 1.845 -11.836 -0.737 266 1HB LYS 38 HB2 LYS 38 0.935 -12.075 1.897 267 2HB LYS 38 HB1 LYS 38 0.333 -10.512 1.361 268 1HG LYS 38 HG2 LYS 38 -1.168 -11.431 -0.019 269 2HG LYS 38 HG1 LYS 38 -0.044 -12.671 -0.578 270 1HD LYS 38 HD2 LYS 38 -0.479 -14.032 1.335 271 2HD LYS 38 HD1 LYS 38 -1.390 -12.740 2.118 272 1HE LYS 38 HE2 LYS 38 -3.211 -12.991 0.697 273 2HE LYS 38 HE1 LYS 38 -2.257 -13.812 -0.538 274 1HZ LYS 38 HZ1 LYS 38 -2.499 -15.796 0.468 275 2HZ LYS 38 HZ2 LYS 38 -3.876 -15.079 1.138 276 3HZ LYS 38 HZ3 LYS 38 -2.443 -15.154 2.033 277 H VAL 39 HN VAL 39 1.085 -9.964 -1.808 278 HA VAL 39 HA VAL 39 2.727 -7.629 -1.278 279 HB VAL 39 HB VAL 39 1.125 -8.589 -3.588 280 1HG1 VAL 39 HG11 VAL 39 0.176 -6.570 -3.932 281 2HG1 VAL 39 HG12 VAL 39 1.795 -6.053 -4.400 282 3HG1 VAL 39 HG13 VAL 39 1.225 -5.765 -2.770 283 1HG2 VAL 39 HG21 VAL 39 3.698 -8.692 -3.123 284 2HG2 VAL 39 HG22 VAL 39 3.669 -7.026 -3.696 285 3HG2 VAL 39 HG23 VAL 39 3.107 -8.324 -4.744 286 H VAL 40 HN VAL 40 2.069 -5.629 -0.871 287 HA VAL 40 HA VAL 40 -0.752 -5.120 -0.311 288 HB VAL 40 HB VAL 40 1.216 -3.970 1.612 289 1HG1 VAL 40 HG11 VAL 40 -1.472 -3.800 1.335 290 2HG1 VAL 40 HG12 VAL 40 -0.610 -3.548 2.853 291 3HG1 VAL 40 HG13 VAL 40 -1.341 -5.114 2.504 292 1HG2 VAL 40 HG21 VAL 40 0.489 -6.851 1.467 293 2HG2 VAL 40 HG22 VAL 40 0.626 -6.085 3.051 294 3HG2 VAL 40 HG23 VAL 40 2.001 -6.093 1.953 295 H GLU 41 HN GLU 41 -1.364 -3.381 -1.327 296 HA GLU 41 HA GLU 41 0.458 -1.107 -1.595 297 1HB GLU 41 HB2 GLU 41 -0.871 -0.747 -3.858 298 2HB GLU 41 HB1 GLU 41 0.617 -1.682 -3.796 299 1HG GLU 41 HG2 GLU 41 -0.427 -3.615 -4.265 300 2HG GLU 41 HG1 GLU 41 -1.878 -3.175 -3.364 301 H LEU 42 HN LEU 42 -0.474 0.389 -0.360 302 HA LEU 42 HA LEU 42 -3.386 0.538 -0.213 303 1HB LEU 42 HB2 LEU 42 -1.605 2.350 1.344 304 2HB LEU 42 HB1 LEU 42 -3.143 1.646 1.798 305 HG LEU 42 HG LEU 42 -0.434 0.353 1.836 306 1HD1 LEU 42 HD11 LEU 42 -1.494 1.804 3.739 307 2HD1 LEU 42 HD12 LEU 42 -0.628 0.314 4.108 308 3HD1 LEU 42 HD13 LEU 42 -2.390 0.322 4.068 309 1HD2 LEU 42 HD21 LEU 42 -3.102 -0.882 1.593 310 2HD2 LEU 42 HD22 LEU 42 -2.032 -1.568 2.817 311 3HD2 LEU 42 HD23 LEU 42 -1.517 -1.503 1.131 312 H GLY 43 HN GLY 43 -4.558 2.143 -1.135 313 1HA GLY 43 HA2 GLY 43 -3.227 4.603 -1.960 314 2HA GLY 43 HA1 GLY 43 -3.865 3.603 -3.253 315 H CYS 44 HN CYS 44 -5.093 5.612 -3.680 316 HA CYS 44 HA CYS 44 -7.622 5.560 -2.190 317 1HB CYS 44 HB2 CYS 44 -6.347 7.482 -1.378 318 2HB CYS 44 HB1 CYS 44 -6.112 8.045 -3.026 319 H ALA 45 HN ALA 45 -9.299 5.215 -3.527 320 HA ALA 45 HA ALA 45 -8.995 5.997 -6.352 321 1HB ALA 45 HB1 ALA 45 -9.942 4.057 -7.033 322 2HB ALA 45 HB2 ALA 45 -11.006 3.957 -5.630 323 3HB ALA 45 HB3 ALA 45 -9.313 3.481 -5.489 324 H ALA 46 HN ALA 46 -11.360 6.034 -7.362 325 HA ALA 46 HA ALA 46 -12.954 7.841 -5.669 326 1HB ALA 46 HB1 ALA 46 -13.263 9.228 -7.418 327 2HB ALA 46 HB2 ALA 46 -13.411 7.899 -8.573 328 3HB ALA 46 HB3 ALA 46 -11.814 8.452 -8.059 329 H THR 47 HN THR 47 -12.888 5.069 -7.750 330 HA THR 47 HA THR 47 -15.498 4.299 -6.808 331 HB THR 47 HB THR 47 -15.604 3.728 -9.542 332 HG1 THR 47 HG1 THR 47 -15.078 6.469 -9.103 333 1HG2 THR 47 HG21 THR 47 -17.671 4.530 -9.362 334 2HG2 THR 47 HG22 THR 47 -17.117 6.053 -8.662 335 3HG2 THR 47 HG23 THR 47 -17.297 4.625 -7.640 336 H CYS 48 HN CYS 48 -14.241 2.760 -5.723 337 HA CYS 48 HA CYS 48 -12.408 0.977 -6.561 338 1HB CYS 48 HB2 CYS 48 -13.635 1.139 -4.306 339 2HB CYS 48 HB1 CYS 48 -14.788 0.005 -5.000 340 HA PRO 49 HA PRO 49 -14.759 -0.872 -10.024 341 1HB PRO 49 HB2 PRO 49 -12.099 -1.729 -10.903 342 2HB PRO 49 HB1 PRO 49 -13.278 -0.712 -11.735 343 1HG PRO 49 HG2 PRO 49 -10.971 0.276 -10.744 344 2HG PRO 49 HG1 PRO 49 -12.467 1.228 -10.797 345 1HD PRO 49 HD2 PRO 49 -11.218 -0.217 -8.486 346 2HD PRO 49 HD1 PRO 49 -11.984 1.387 -8.532 347 H SER 50 HN SER 50 -13.818 -3.165 -11.182 348 HA SER 50 HA SER 50 -14.505 -5.137 -9.255 349 1HB SER 50 HB2 SER 50 -13.170 -5.828 -11.852 350 2HB SER 50 HB1 SER 50 -14.483 -6.660 -11.018 351 HG SER 50 HG SER 50 -15.755 -4.717 -11.521 352 H LYS 51 HN LYS 51 -13.152 -5.568 -7.623 353 HA LYS 51 HA LYS 51 -10.280 -5.598 -8.055 354 1HB LYS 51 HB2 LYS 51 -10.128 -5.876 -5.627 355 2HB LYS 51 HB1 LYS 51 -11.136 -4.500 -6.058 356 1HG LYS 51 HG2 LYS 51 -12.699 -6.917 -5.790 357 2HG LYS 51 HG1 LYS 51 -11.782 -6.566 -4.324 358 1HD LYS 51 HD2 LYS 51 -12.846 -4.532 -3.994 359 2HD LYS 51 HD1 LYS 51 -13.324 -4.393 -5.687 360 1HE LYS 51 HE2 LYS 51 -15.317 -4.909 -4.598 361 2HE LYS 51 HE1 LYS 51 -14.776 -6.464 -5.229 362 1HZ LYS 51 HZ1 LYS 51 -14.005 -5.671 -2.507 363 2HZ LYS 51 HZ2 LYS 51 -14.227 -7.219 -3.150 364 3HZ LYS 51 HZ3 LYS 51 -15.568 -6.257 -2.783 365 H LYS 52 HN LYS 52 -12.564 -7.796 -8.643 366 HA LYS 52 HA LYS 52 -11.213 -10.069 -7.437 367 1HB LYS 52 HB2 LYS 52 -13.838 -9.559 -7.876 368 2HB LYS 52 HB1 LYS 52 -13.459 -10.613 -9.231 369 1HG LYS 52 HG2 LYS 52 -12.697 -11.345 -6.429 370 2HG LYS 52 HG1 LYS 52 -14.305 -11.684 -7.069 371 1HD LYS 52 HD2 LYS 52 -13.270 -13.641 -7.621 372 2HD LYS 52 HD1 LYS 52 -12.890 -12.703 -9.065 373 1HE LYS 52 HE2 LYS 52 -10.775 -13.338 -8.632 374 2HE LYS 52 HE1 LYS 52 -10.819 -12.022 -7.459 375 1HZ LYS 52 HZ1 LYS 52 -10.185 -13.649 -6.064 376 2HZ LYS 52 HZ2 LYS 52 -10.812 -14.892 -7.024 377 3HZ LYS 52 HZ3 LYS 52 -11.839 -14.007 -6.013 378 HA PRO 53 HA PRO 53 -10.142 -10.523 -12.072 379 1HB PRO 53 HB2 PRO 53 -7.854 -9.129 -12.487 380 2HB PRO 53 HB1 PRO 53 -9.458 -8.464 -12.803 381 1HG PRO 53 HG2 PRO 53 -7.615 -7.963 -10.534 382 2HG PRO 53 HG1 PRO 53 -8.761 -6.866 -11.317 383 1HD PRO 53 HD2 PRO 53 -9.168 -8.172 -8.908 384 2HD PRO 53 HD1 PRO 53 -10.445 -7.469 -9.919 385 H TYR 54 HN TYR 54 -8.563 -10.636 -9.077 386 HA TYR 54 HA TYR 54 -7.571 -13.148 -9.190 387 1HB TYR 54 HB2 TYR 54 -6.151 -12.494 -11.091 388 2HB TYR 54 HB1 TYR 54 -5.399 -11.249 -10.101 389 HD1 TYR 54 HD1 TYR 54 -5.576 -14.817 -10.831 390 HD2 TYR 54 HD2 TYR 54 -3.843 -11.860 -8.308 391 HE1 TYR 54 HE1 TYR 54 -3.895 -16.449 -10.080 392 HE2 TYR 54 HE2 TYR 54 -2.158 -13.484 -7.553 393 HH TYR 54 HH TYR 54 -2.412 -16.813 -8.157 394 H GLU 55 HN GLU 55 -7.464 -9.988 -7.895 395 HA GLU 55 HA GLU 55 -6.053 -11.008 -5.519 396 1HB GLU 55 HB2 GLU 55 -6.191 -8.090 -6.172 397 2HB GLU 55 HB1 GLU 55 -5.014 -8.953 -5.194 398 1HG GLU 55 HG2 GLU 55 -3.737 -8.614 -7.025 399 2HG GLU 55 HG1 GLU 55 -4.510 -10.117 -7.528 400 H GLU 56 HN GLU 56 -6.572 -9.584 -3.546 401 HA GLU 56 HA GLU 56 -9.475 -9.078 -3.456 402 1HB GLU 56 HB2 GLU 56 -8.780 -11.163 -2.249 403 2HB GLU 56 HB1 GLU 56 -7.779 -10.168 -1.200 404 1HG GLU 56 HG2 GLU 56 -9.856 -8.922 -0.559 405 2HG GLU 56 HG1 GLU 56 -10.774 -10.138 -1.444 406 H VAL 57 HN VAL 57 -10.063 -7.111 -2.709 407 HA VAL 57 HA VAL 57 -8.041 -5.551 -1.258 408 HB VAL 57 HB VAL 57 -8.435 -3.587 -2.514 409 1HG1 VAL 57 HG11 VAL 57 -7.411 -5.896 -3.687 410 2HG1 VAL 57 HG12 VAL 57 -7.129 -4.230 -4.183 411 3HG1 VAL 57 HG13 VAL 57 -8.427 -5.163 -4.927 412 1HG2 VAL 57 HG21 VAL 57 -10.074 -3.864 -4.568 413 2HG2 VAL 57 HG22 VAL 57 -10.660 -3.368 -2.980 414 3HG2 VAL 57 HG23 VAL 57 -10.832 -5.044 -3.498 415 H THR 58 HN THR 58 -8.877 -3.710 -0.090 416 HA THR 58 HA THR 58 -11.692 -4.008 0.716 417 HB THR 58 HB THR 58 -9.820 -2.956 2.733 418 HG1 THR 58 HG1 THR 58 -8.599 -4.687 1.899 419 1HG2 THR 58 HG21 THR 58 -11.316 -5.144 3.684 420 2HG2 THR 58 HG22 THR 58 -12.384 -4.162 2.681 421 3HG2 THR 58 HG23 THR 58 -11.527 -3.429 4.038 422 H CYS 59 HN CYS 59 -12.530 -2.303 -0.346 423 HA CYS 59 HA CYS 59 -11.149 0.249 -0.309 424 1HB CYS 59 HB2 CYS 59 -13.523 -0.814 -1.801 425 2HB CYS 59 HB1 CYS 59 -13.192 0.916 -1.749 426 H CYS 60 HN CYS 60 -11.502 1.737 1.119 427 HA CYS 60 HA CYS 60 -14.087 1.824 2.518 428 1HB CYS 60 HB2 CYS 60 -12.792 2.621 4.510 429 2HB CYS 60 HB1 CYS 60 -12.444 0.962 4.037 430 H SER 61 HN SER 61 -14.000 4.170 3.829 431 HA SER 61 HA SER 61 -13.050 6.202 1.953 432 1HB SER 61 HB2 SER 61 -15.190 7.258 1.706 433 2HB SER 61 HB1 SER 61 -15.376 5.554 1.290 434 HG SER 61 HG SER 61 -16.294 6.954 3.539 435 H THR 62 HN THR 62 -12.526 5.406 4.860 436 HA THR 62 HA THR 62 -13.217 7.987 6.076 437 HB THR 62 HB THR 62 -12.490 6.744 8.223 438 HG1 THR 62 HG1 THR 62 -13.137 4.536 6.570 439 1HG2 THR 62 HG21 THR 62 -14.642 6.483 8.728 440 2HG2 THR 62 HG22 THR 62 -14.939 5.427 7.346 441 3HG2 THR 62 HG23 THR 62 -14.935 7.179 7.134 442 H ASP 63 HN ASP 63 -11.610 9.099 7.329 443 HA ASP 63 HA ASP 63 -9.274 9.661 6.125 444 1HB ASP 63 HB2 ASP 63 -9.855 9.677 9.087 445 2HB ASP 63 HB1 ASP 63 -8.429 10.421 8.370 446 H LYS 64 HN LYS 64 -7.521 8.628 5.629 447 HA LYS 64 HA LYS 64 -6.066 6.851 5.413 448 1HB LYS 64 HB2 LYS 64 -4.844 6.607 7.775 449 2HB LYS 64 HB1 LYS 64 -4.563 7.956 6.693 450 1HG LYS 64 HG2 LYS 64 -4.848 8.986 8.732 451 2HG LYS 64 HG1 LYS 64 -6.459 9.107 8.028 452 1HD LYS 64 HD2 LYS 64 -6.744 6.771 9.268 453 2HD LYS 64 HD1 LYS 64 -5.487 7.460 10.296 454 1HE LYS 64 HE2 LYS 64 -7.454 9.460 9.816 455 2HE LYS 64 HE1 LYS 64 -8.276 7.984 10.320 456 1HZ LYS 64 HZ1 LYS 64 -6.172 9.476 11.779 457 2HZ LYS 64 HZ2 LYS 64 -6.650 7.911 12.210 458 3HZ LYS 64 HZ3 LYS 64 -7.765 9.182 12.267 459 H CYS 65 HN CYS 65 -8.341 5.628 5.464 460 HA CYS 65 HA CYS 65 -8.479 3.715 7.638 461 1HB CYS 65 HB2 CYS 65 -10.524 2.931 6.515 462 2HB CYS 65 HB1 CYS 65 -10.550 4.658 6.856 463 H ASN 66 HN ASN 66 -6.556 3.835 4.997 464 HA ASN 66 HA ASN 66 -6.789 0.940 4.504 465 1HB ASN 66 HB2 ASN 66 -5.597 1.390 2.354 466 2HB ASN 66 HB1 ASN 66 -7.176 2.161 2.464 467 1HD2 ASN 66 HD21 ASN 66 -4.472 2.697 1.080 468 2HD2 ASN 66 HD22 ASN 66 -4.226 4.384 1.355 469 HA PRO 67 HA PRO 67 -2.634 1.491 6.426 470 1HB PRO 67 HB2 PRO 67 -2.985 0.273 8.737 471 2HB PRO 67 HB1 PRO 67 -3.738 1.853 8.462 472 1HG PRO 67 HG2 PRO 67 -4.973 -0.875 8.341 473 2HG PRO 67 HG1 PRO 67 -5.611 0.611 9.071 474 1HD PRO 67 HD2 PRO 67 -6.234 -0.342 6.522 475 2HD PRO 67 HD1 PRO 67 -6.487 1.316 7.097 476 H HIS 68 HN HIS 68 -1.548 -0.623 7.843 477 HA HIS 68 HA HIS 68 -1.184 -2.582 5.758 478 1HB HIS 68 HB2 HIS 68 0.430 -1.580 7.742 479 2HB HIS 68 HB1 HIS 68 0.014 -3.168 8.375 480 HD1 HIS 68 HD1 HIS 68 1.477 -1.635 5.203 481 HD2 HIS 68 HD2 HIS 68 1.525 -5.200 7.365 482 HE1 HIS 68 HE1 HIS 68 3.237 -3.074 4.136 483 HE2 HIS 68 HE2 HIS 68 3.183 -5.245 5.391 484 HA PRO 69 HA PRO 69 -4.004 -5.573 7.399 485 1HB PRO 69 HB2 PRO 69 -3.145 -7.795 6.134 486 2HB PRO 69 HB1 PRO 69 -3.962 -6.477 5.289 487 1HG PRO 69 HG2 PRO 69 -1.083 -7.198 5.339 488 2HG PRO 69 HG1 PRO 69 -2.037 -6.468 4.042 489 1HD PRO 69 HD2 PRO 69 -0.316 -5.120 5.790 490 2HD PRO 69 HD1 PRO 69 -1.524 -4.371 4.738 491 H LYS 70 HN LYS 70 -0.822 -7.197 7.162 492 HA LYS 70 HA LYS 70 -1.274 -8.752 9.494 493 1HB LYS 70 HB2 LYS 70 0.156 -9.642 7.805 494 2HB LYS 70 HB1 LYS 70 1.178 -8.214 7.824 495 1HG LYS 70 HG2 LYS 70 0.960 -9.688 10.370 496 2HG LYS 70 HG1 LYS 70 1.803 -10.510 9.056 497 1HD LYS 70 HD2 LYS 70 2.437 -7.766 10.143 498 2HD LYS 70 HD1 LYS 70 3.369 -9.238 10.422 499 1HE LYS 70 HE2 LYS 70 4.582 -8.494 8.676 500 2HE LYS 70 HE1 LYS 70 3.288 -9.215 7.723 501 1HZ LYS 70 HZ1 LYS 70 4.035 -6.477 7.976 502 2HZ LYS 70 HZ2 LYS 70 2.397 -6.697 8.334 503 3HZ LYS 70 HZ3 LYS 70 3.012 -7.211 6.845 504 H GLN 71 HN GLN 71 0.482 -5.781 8.819 505 HA GLN 71 HA GLN 71 1.345 -5.565 11.604 506 1HB GLN 71 HB2 GLN 71 2.042 -4.147 9.065 507 2HB GLN 71 HB1 GLN 71 2.322 -3.335 10.597 508 1HG GLN 71 HG2 GLN 71 3.820 -5.040 11.313 509 2HG GLN 71 HG1 GLN 71 3.405 -6.059 9.935 510 1HE2 GLN 71 HE21 GLN 71 4.828 -2.949 10.807 511 2HE2 GLN 71 HE22 GLN 71 5.909 -2.863 9.462 512 H ARG 72 HN ARG 72 1.300 -3.074 12.276 513 HA ARG 72 HA ARG 72 0.034 -1.050 12.290 514 1HB ARG 72 HB2 ARG 72 -2.226 -0.890 11.826 515 2HB ARG 72 HB1 ARG 72 -1.685 -2.115 10.695 516 1HG ARG 72 HG2 ARG 72 -3.155 -3.568 11.499 517 2HG ARG 72 HG1 ARG 72 -2.538 -3.361 13.136 518 1HD ARG 72 HD2 ARG 72 -4.696 -1.800 11.745 519 2HD ARG 72 HD1 ARG 72 -4.823 -2.765 13.216 520 HE ARG 72 HE ARG 72 -3.045 -0.886 13.928 521 1HH1 ARG 72 HH11 ARG 72 -6.164 -0.662 12.375 522 2HH1 ARG 72 HH12 ARG 72 -6.516 0.901 13.031 523 1HH2 ARG 72 HH21 ARG 72 -3.510 1.169 14.792 524 2HH2 ARG 72 HH22 ARG 72 -5.011 1.940 14.403 525 HA PRO 73 HA PRO 73 -1.691 -2.754 16.396 526 1HB PRO 73 HB2 PRO 73 -1.176 -5.277 17.103 527 2HB PRO 73 HB1 PRO 73 -2.520 -4.886 16.023 528 1HG PRO 73 HG2 PRO 73 0.175 -5.991 15.374 529 2HG PRO 73 HG1 PRO 73 -1.402 -6.395 14.675 530 1HD PRO 73 HD2 PRO 73 0.466 -4.680 13.544 531 2HD PRO 73 HD1 PRO 73 -1.257 -4.728 13.136 532 H GLY 74 HN GLY 74 0.207 -1.267 16.665 533 1HA GLY 74 HA2 GLY 74 2.667 -2.507 17.597 534 2HA GLY 74 HA1 GLY 74 2.367 -0.784 17.426 535 1H GLU 180 HT1 GLU 180 19.466 13.495 -1.830 536 2H GLU 180 HT2 GLU 180 20.820 14.169 -1.018 537 3H GLU 180 HT3 GLU 180 21.054 13.127 -2.362 538 HA GLU 180 HA GLU 180 20.046 15.875 -2.292 539 1HB GLU 180 HB2 GLU 180 22.430 14.414 -3.178 540 2HB GLU 180 HB1 GLU 180 21.799 15.521 -4.390 541 1HG GLU 180 HG2 GLU 180 22.279 17.370 -3.157 542 2HG GLU 180 HG1 GLU 180 22.100 16.530 -1.619 543 H GLU 181 HN GLU 181 20.089 12.868 -4.147 544 HA GLU 181 HA GLU 181 18.735 13.957 -6.413 545 1HB GLU 181 HB2 GLU 181 19.456 11.199 -5.497 546 2HB GLU 181 HB1 GLU 181 18.319 11.401 -6.824 547 1HG GLU 181 HG2 GLU 181 20.928 12.836 -6.906 548 2HG GLU 181 HG1 GLU 181 20.869 11.114 -7.282 549 H ARG 182 HN ARG 182 17.708 11.795 -3.774 550 HA ARG 182 HA ARG 182 15.674 11.379 -2.850 551 1HB ARG 182 HB2 ARG 182 15.384 14.162 -3.872 552 2HB ARG 182 HB1 ARG 182 13.927 13.321 -3.359 553 1HG ARG 182 HG2 ARG 182 14.745 14.595 -1.519 554 2HG ARG 182 HG1 ARG 182 15.021 12.886 -1.170 555 1HD ARG 182 HD2 ARG 182 17.344 13.091 -1.784 556 2HD ARG 182 HD1 ARG 182 17.097 14.759 -2.300 557 HE ARG 182 HE ARG 182 17.266 15.414 -0.119 558 1HH1 ARG 182 HH11 ARG 182 16.650 11.980 -0.204 559 2HH1 ARG 182 HH12 ARG 182 16.876 11.771 1.500 560 1HH2 ARG 182 HH21 ARG 182 17.564 15.140 2.123 561 2HH2 ARG 182 HH22 ARG 182 17.394 13.565 2.822 562 H GLY 183 HN GLY 183 13.391 10.865 -3.353 563 1HA GLY 183 HA2 GLY 183 12.909 10.495 -6.236 564 2HA GLY 183 HA1 GLY 183 12.779 9.125 -5.143 565 H TRP 184 HN TRP 184 10.643 9.837 -6.707 566 HA TRP 184 HA TRP 184 8.863 11.594 -5.363 567 1HB TRP 184 HB2 TRP 184 7.124 10.383 -6.868 568 2HB TRP 184 HB1 TRP 184 8.341 11.413 -7.601 569 HD1 TRP 184 HD1 TRP 184 8.071 10.117 -9.904 570 HE1 TRP 184 HE1 TRP 184 8.994 7.871 -10.740 571 HE3 TRP 184 HE3 TRP 184 9.439 8.044 -5.406 572 HZ2 TRP 184 HZ2 TRP 184 10.141 5.542 -9.661 573 HZ3 TRP 184 HZ3 TRP 184 10.437 5.805 -5.421 574 HH2 TRP 184 HH2 TRP 184 10.782 4.580 -7.498 575 H LYS 185 HN LYS 185 7.134 8.761 -6.028 576 HA LYS 185 HA LYS 185 7.288 7.836 -3.260 577 1HB LYS 185 HB2 LYS 185 5.132 9.367 -4.398 578 2HB LYS 185 HB1 LYS 185 4.557 7.780 -3.934 579 1HG LYS 185 HG2 LYS 185 5.531 8.166 -1.675 580 2HG LYS 185 HG1 LYS 185 5.881 9.822 -2.173 581 1HD LYS 185 HD2 LYS 185 3.136 8.776 -2.564 582 2HD LYS 185 HD1 LYS 185 3.648 9.161 -0.921 583 1HE LYS 185 HE2 LYS 185 4.137 11.144 -3.095 584 2HE LYS 185 HE1 LYS 185 2.507 10.979 -2.443 585 1HZ LYS 185 HZ1 LYS 185 4.261 12.623 -1.403 586 2HZ LYS 185 HZ2 LYS 185 4.706 11.241 -0.537 587 3HZ LYS 185 HZ3 LYS 185 3.120 11.822 -0.443 588 H HIS 186 HN HIS 186 7.994 5.781 -3.636 589 HA HIS 186 HA HIS 186 6.195 4.034 -5.146 590 1HB HIS 186 HB2 HIS 186 8.162 4.747 -6.597 591 2HB HIS 186 HB1 HIS 186 9.186 3.840 -5.494 592 HD1 HIS 186 HD1 HIS 186 7.584 1.287 -5.122 593 HD2 HIS 186 HD2 HIS 186 8.041 3.177 -8.793 594 HE1 HIS 186 HE1 HIS 186 7.187 -0.495 -6.849 595 HE2 HIS 186 HE2 HIS 186 7.367 0.695 -9.061 596 H TRP 187 HN TRP 187 5.598 2.435 -3.809 597 HA TRP 187 HA TRP 187 7.559 1.473 -1.818 598 1HB TRP 187 HB2 TRP 187 4.969 2.647 -1.410 599 2HB TRP 187 HB1 TRP 187 4.977 1.011 -0.792 600 HD1 TRP 187 HD1 TRP 187 5.928 4.468 0.100 601 HE1 TRP 187 HE1 TRP 187 7.168 4.524 2.323 602 HE3 TRP 187 HE3 TRP 187 6.862 -0.525 0.621 603 HZ2 TRP 187 HZ2 TRP 187 8.370 2.690 4.106 604 HZ3 TRP 187 HZ3 TRP 187 8.100 -1.271 2.597 605 HH2 TRP 187 HH2 TRP 187 8.814 0.294 4.323 606 H VAL 188 HN VAL 188 7.282 -0.633 -1.075 607 HA VAL 188 HA VAL 188 5.564 -2.422 -2.613 608 HB VAL 188 HB VAL 188 8.302 -3.410 -1.962 609 1HG1 VAL 188 HG11 VAL 188 7.543 -4.189 -4.520 610 2HG1 VAL 188 HG12 VAL 188 6.045 -4.185 -3.590 611 3HG1 VAL 188 HG13 VAL 188 7.422 -5.143 -3.043 612 1HG2 VAL 188 HG21 VAL 188 9.086 -1.498 -3.004 613 2HG2 VAL 188 HG22 VAL 188 7.706 -1.405 -4.100 614 3HG2 VAL 188 HG23 VAL 188 8.952 -2.629 -4.351 615 H TYR 189 HN TYR 189 4.266 -2.425 -0.678 616 HA TYR 189 HA TYR 189 5.586 -3.473 1.712 617 1HB TYR 189 HB2 TYR 189 3.163 -1.858 1.176 618 2HB TYR 189 HB1 TYR 189 3.050 -2.989 2.514 619 HD1 TYR 189 HD1 TYR 189 3.547 0.264 1.833 620 HD2 TYR 189 HD2 TYR 189 5.464 -2.858 3.965 621 HE1 TYR 189 HE1 TYR 189 4.569 1.928 3.297 622 HE2 TYR 189 HE2 TYR 189 6.525 -1.203 5.443 623 HH TYR 189 HH TYR 189 6.120 2.273 4.907 624 H TYR 190 HN TYR 190 5.526 -5.551 2.137 625 HA TYR 190 HA TYR 190 3.376 -7.156 0.936 626 1HB TYR 190 HB2 TYR 190 6.174 -7.905 1.797 627 2HB TYR 190 HB1 TYR 190 4.959 -9.092 1.346 628 HD1 TYR 190 HD1 TYR 190 4.698 -6.097 -0.578 629 HD2 TYR 190 HD2 TYR 190 6.830 -9.761 -0.284 630 HE1 TYR 190 HE1 TYR 190 5.377 -5.868 -2.905 631 HE2 TYR 190 HE2 TYR 190 7.517 -9.557 -2.633 632 HH TYR 190 HH TYR 190 6.098 -7.397 -4.777 633 H THR 191 HN THR 191 2.172 -8.577 2.184 634 HA THR 191 HA THR 191 2.217 -8.085 5.039 635 HB THR 191 HB THR 191 0.110 -8.913 5.143 636 HG1 THR 191 HG1 THR 191 1.000 -10.944 3.407 637 1HG2 THR 191 HG21 THR 191 0.397 -8.572 2.190 638 2HG2 THR 191 HG22 THR 191 -0.413 -7.535 3.361 639 3HG2 THR 191 HG23 THR 191 -1.114 -9.089 2.927 640 H CYS 192 HN CYS 192 1.897 -10.207 6.393 641 HA CYS 192 HA CYS 192 2.614 -12.374 6.971 642 1HB CYS 192 HB2 CYS 192 3.130 -13.635 5.149 643 2HB CYS 192 HB1 CYS 192 3.708 -12.254 4.237 644 H CYS 193 HN CYS 193 5.116 -10.482 5.499 645 HA CYS 193 HA CYS 193 6.798 -10.876 7.854 646 1HB CYS 193 HB2 CYS 193 8.264 -10.335 5.441 647 2HB CYS 193 HB1 CYS 193 8.247 -11.807 6.412 648 HA PRO 194 HA PRO 194 6.667 -6.383 7.784 649 1HB PRO 194 HB2 PRO 194 6.606 -6.018 10.381 650 2HB PRO 194 HB1 PRO 194 5.241 -6.816 9.586 651 1HG PRO 194 HG2 PRO 194 7.500 -8.043 11.120 652 2HG PRO 194 HG1 PRO 194 5.764 -8.395 11.216 653 1HD PRO 194 HD2 PRO 194 7.609 -9.821 9.697 654 2HD PRO 194 HD1 PRO 194 5.852 -9.824 9.442 655 H ASP 195 HN ASP 195 9.011 -8.502 9.303 656 HA ASP 195 HA ASP 195 10.859 -6.420 9.982 657 1HB ASP 195 HB2 ASP 195 11.089 -9.428 9.883 658 2HB ASP 195 HB1 ASP 195 12.435 -8.384 10.331 659 H THR 196 HN THR 196 9.945 -7.715 7.066 660 HA THR 196 HA THR 196 12.463 -6.860 5.845 661 HB THR 196 HB THR 196 12.529 -8.727 4.359 662 HG1 THR 196 HG1 THR 196 10.000 -9.360 5.445 663 1HG2 THR 196 HG21 THR 196 11.896 -9.775 7.107 664 2HG2 THR 196 HG22 THR 196 13.476 -9.244 6.531 665 3HG2 THR 196 HG23 THR 196 12.712 -10.666 5.822 666 HA PRO 197 HA PRO 197 8.777 -5.049 3.669 667 1HB PRO 197 HB2 PRO 197 9.575 -2.411 4.407 668 2HB PRO 197 HB1 PRO 197 8.180 -3.313 4.995 669 1HG PRO 197 HG2 PRO 197 10.380 -2.584 6.524 670 2HG PRO 197 HG1 PRO 197 9.219 -3.855 6.940 671 1HD PRO 197 HD2 PRO 197 11.939 -4.090 5.727 672 2HD PRO 197 HD1 PRO 197 11.125 -5.153 6.895 673 H TYR 198 HN TYR 198 8.833 -3.967 1.645 674 HA TYR 198 HA TYR 198 11.556 -3.313 0.713 675 1HB TYR 198 HB2 TYR 198 9.379 -4.254 -1.133 676 2HB TYR 198 HB1 TYR 198 11.118 -4.294 -1.372 677 HD1 TYR 198 HD1 TYR 198 11.810 -5.507 1.339 678 HD2 TYR 198 HD2 TYR 198 8.890 -6.492 -1.584 679 HE1 TYR 198 HE1 TYR 198 11.818 -7.835 2.118 680 HE2 TYR 198 HE2 TYR 198 8.905 -8.801 -0.824 681 HH TYR 198 HH TYR 198 11.228 -10.000 1.475 682 H LEU 199 HN LEU 199 11.881 -1.389 -0.280 683 HA LEU 199 HA LEU 199 9.509 0.322 -0.669 684 1HB LEU 199 HB2 LEU 199 12.216 1.088 0.395 685 2HB LEU 199 HB1 LEU 199 10.929 2.214 0.035 686 HG LEU 199 HG LEU 199 9.550 1.136 1.743 687 1HD1 LEU 199 HD11 LEU 199 11.260 -0.178 3.397 688 2HD1 LEU 199 HD12 LEU 199 11.839 -0.696 1.815 689 3HD1 LEU 199 HD13 LEU 199 10.160 -0.969 2.272 690 1HD2 LEU 199 HD21 LEU 199 10.542 2.250 3.552 691 2HD2 LEU 199 HD22 LEU 199 11.094 3.119 2.121 692 3HD2 LEU 199 HD23 LEU 199 12.169 1.979 2.930 693 H ASP 200 HN ASP 200 10.306 2.453 -1.838 694 HA ASP 200 HA ASP 200 12.287 2.087 -3.872 695 1HB ASP 200 HB2 ASP 200 9.359 1.965 -4.578 696 2HB ASP 200 HB1 ASP 200 10.580 2.459 -5.745 697 H ILE 201 HN ILE 201 13.237 3.989 -3.608 698 HA ILE 201 HA ILE 201 11.806 6.409 -4.247 699 HB ILE 201 HB ILE 201 11.328 6.187 -1.849 700 1HG1 ILE 201 HG12 ILE 201 11.766 8.424 -3.021 701 2HG1 ILE 201 HG11 ILE 201 11.809 8.415 -1.264 702 1HG2 ILE 201 HG21 ILE 201 13.038 6.226 -0.179 703 2HG2 ILE 201 HG22 ILE 201 14.297 6.401 -1.401 704 3HG2 ILE 201 HG23 ILE 201 13.378 4.901 -1.293 705 1HD1 ILE 201 HD11 ILE 201 14.013 8.792 -3.217 706 2HD1 ILE 201 HD12 ILE 201 14.384 8.067 -1.655 707 3HD1 ILE 201 HD13 ILE 201 13.653 9.668 -1.731 708 H THR 202 HN THR 202 14.818 5.064 -2.912 709 HA THR 202 HA THR 202 16.297 6.755 -4.806 710 HB THR 202 HB THR 202 16.404 7.674 -2.483 711 HG1 THR 202 HG1 THR 202 18.746 6.743 -3.752 712 1HG2 THR 202 HG21 THR 202 16.974 6.496 -0.701 713 2HG2 THR 202 HG22 THR 202 18.379 5.812 -1.516 714 3HG2 THR 202 HG23 THR 202 16.798 5.051 -1.695 715 H GLU 203 HN GLU 203 18.265 5.895 -5.573 716 HA GLU 203 HA GLU 203 18.930 3.155 -4.829 717 1HB GLU 203 HB2 GLU 203 18.102 4.016 -7.598 718 2HB GLU 203 HB1 GLU 203 19.059 2.570 -7.309 719 1HG GLU 203 HG2 GLU 203 17.220 1.801 -5.771 720 2HG GLU 203 HG1 GLU 203 16.259 3.144 -6.389 721 H GLU 204 HN GLU 204 19.811 5.111 -7.657 722 HA GLU 204 HA GLU 204 22.281 6.019 -6.600 723 1HB GLU 204 HB2 GLU 204 23.709 4.626 -8.193 724 2HB GLU 204 HB1 GLU 204 23.110 3.823 -6.748 725 1HG GLU 204 HG2 GLU 204 21.150 3.388 -8.677 726 2HG GLU 204 HG1 GLU 204 22.683 3.183 -9.523 Start of MODEL 11 1 1H ILE 1 HT1 ILE 1 -10.763 14.355 3.232 2 2H ILE 1 HT2 ILE 1 -12.349 13.701 3.197 3 3H ILE 1 HT3 ILE 1 -11.219 13.286 1.973 4 HA ILE 1 HA ILE 1 -11.143 12.555 4.823 5 HB ILE 1 HB ILE 1 -10.902 10.570 2.644 6 1HG1 ILE 1 HG12 ILE 1 -13.545 11.841 3.403 7 2HG1 ILE 1 HG11 ILE 1 -12.774 11.916 1.822 8 1HG2 ILE 1 HG21 ILE 1 -10.881 9.431 4.573 9 2HG2 ILE 1 HG22 ILE 1 -12.633 9.596 4.489 10 3HG2 ILE 1 HG23 ILE 1 -11.689 10.718 5.466 11 1HD1 ILE 1 HD11 ILE 1 -13.098 9.193 2.706 12 2HD1 ILE 1 HD12 ILE 1 -13.649 9.973 1.222 13 3HD1 ILE 1 HD13 ILE 1 -14.635 10.059 2.682 14 H VAL 2 HN VAL 2 -9.483 10.987 5.275 15 HA VAL 2 HA VAL 2 -6.922 11.865 4.155 16 HB VAL 2 HB VAL 2 -7.389 10.173 6.615 17 1HG1 VAL 2 HG11 VAL 2 -5.051 11.651 5.442 18 2HG1 VAL 2 HG12 VAL 2 -5.142 9.986 6.013 19 3HG1 VAL 2 HG13 VAL 2 -5.126 11.315 7.171 20 1HG2 VAL 2 HG21 VAL 2 -8.551 12.392 6.735 21 2HG2 VAL 2 HG22 VAL 2 -6.973 13.160 6.568 22 3HG2 VAL 2 HG23 VAL 2 -7.312 12.138 7.965 23 H CYS 3 HN CYS 3 -5.271 10.138 3.729 24 HA CYS 3 HA CYS 3 -6.322 7.456 3.470 25 1HB CYS 3 HB2 CYS 3 -6.938 8.984 1.401 26 2HB CYS 3 HB1 CYS 3 -5.293 8.584 0.916 27 H HIS 4 HN HIS 4 -4.827 5.890 3.293 28 HA HIS 4 HA HIS 4 -2.036 6.654 3.716 29 1HB HIS 4 HB2 HIS 4 -3.663 4.168 4.129 30 2HB HIS 4 HB1 HIS 4 -1.922 4.019 3.933 31 HD1 HIS 4 HD1 HIS 4 -0.891 6.308 5.607 32 HD2 HIS 4 HD2 HIS 4 -4.047 3.875 6.785 33 HE1 HIS 4 HE1 HIS 4 -0.984 6.497 8.113 34 HE2 HIS 4 HE2 HIS 4 -2.949 5.077 8.797 35 H THR 5 HN THR 5 -0.403 5.228 2.591 36 HA THR 5 HA THR 5 -1.048 3.932 0.198 37 HB THR 5 HB THR 5 -1.490 6.312 -0.483 38 HG1 THR 5 HG1 THR 5 -0.962 4.657 -1.989 39 1HG2 THR 5 HG21 THR 5 0.167 7.619 0.473 40 2HG2 THR 5 HG22 THR 5 0.618 7.522 -1.229 41 3HG2 THR 5 HG23 THR 5 1.455 6.528 -0.037 42 H THR 6 HN THR 6 0.724 3.034 -0.840 43 HA THR 6 HA THR 6 3.071 2.783 0.844 44 HB THR 6 HB THR 6 3.418 0.759 -0.532 45 HG1 THR 6 HG1 THR 6 1.818 0.153 -1.988 46 1HG2 THR 6 HG21 THR 6 1.874 0.886 1.527 47 2HG2 THR 6 HG22 THR 6 1.836 -0.550 0.500 48 3HG2 THR 6 HG23 THR 6 0.588 0.681 0.343 49 H ALA 7 HN ALA 7 4.280 4.641 0.194 50 HA ALA 7 HA ALA 7 5.581 4.313 -2.353 51 1HB ALA 7 HB1 ALA 7 3.995 6.819 -1.990 52 2HB ALA 7 HB2 ALA 7 3.370 5.392 -2.804 53 3HB ALA 7 HB3 ALA 7 4.777 6.220 -3.444 54 H THR 8 HN THR 8 5.158 6.761 0.260 55 HA THR 8 HA THR 8 7.571 8.131 -0.283 56 HB THR 8 HB THR 8 5.765 9.074 1.059 57 HG1 THR 8 HG1 THR 8 8.020 9.741 1.344 58 1HG2 THR 8 HG21 THR 8 5.256 6.969 2.320 59 2HG2 THR 8 HG22 THR 8 5.323 8.439 3.296 60 3HG2 THR 8 HG23 THR 8 6.673 7.308 3.301 61 H SER 9 HN SER 9 8.633 8.134 2.549 62 HA SER 9 HA SER 9 10.636 6.132 2.171 63 1HB SER 9 HB2 SER 9 10.033 8.167 4.279 64 2HB SER 9 HB1 SER 9 11.039 6.793 4.743 65 HG SER 9 HG SER 9 12.356 7.353 2.877 66 HA PRO 10 HA PRO 10 8.049 3.588 5.146 67 1HB PRO 10 HB2 PRO 10 6.530 4.643 7.047 68 2HB PRO 10 HB1 PRO 10 8.288 4.754 7.211 69 1HG PRO 10 HG2 PRO 10 6.327 6.846 6.411 70 2HG PRO 10 HG1 PRO 10 7.822 7.006 7.348 71 1HD PRO 10 HD2 PRO 10 7.490 7.502 4.585 72 2HD PRO 10 HD1 PRO 10 9.013 7.437 5.482 73 H ILE 11 HN ILE 11 5.246 3.814 5.921 74 HA ILE 11 HA ILE 11 4.018 3.945 3.317 75 HB ILE 11 HB ILE 11 2.448 3.907 5.886 76 1HG1 ILE 11 HG12 ILE 11 2.828 1.233 5.035 77 2HG1 ILE 11 HG11 ILE 11 4.425 1.975 5.129 78 1HG2 ILE 11 HG21 ILE 11 2.007 3.004 3.078 79 2HG2 ILE 11 HG22 ILE 11 0.987 4.015 4.102 80 3HG2 ILE 11 HG23 ILE 11 1.092 2.278 4.400 81 1HD1 ILE 11 HD11 ILE 11 4.373 2.107 7.366 82 2HD1 ILE 11 HD12 ILE 11 3.169 0.828 7.205 83 3HD1 ILE 11 HD13 ILE 11 2.655 2.503 7.411 84 H SER 12 HN SER 12 2.956 5.759 2.403 85 HA SER 12 HA SER 12 3.129 8.204 4.010 86 1HB SER 12 HB2 SER 12 3.364 9.414 2.050 87 2HB SER 12 HB1 SER 12 3.988 7.869 1.486 88 HG SER 12 HG SER 12 2.426 8.784 0.086 89 H ALA 13 HN ALA 13 1.412 9.349 4.661 90 HA ALA 13 HA ALA 13 -1.251 8.490 3.736 91 1HB ALA 13 HB1 ALA 13 -0.299 8.098 6.257 92 2HB ALA 13 HB2 ALA 13 -2.006 8.230 5.834 93 3HB ALA 13 HB3 ALA 13 -1.133 9.643 6.429 94 H VAL 14 HN VAL 14 -2.197 10.060 2.621 95 HA VAL 14 HA VAL 14 -2.028 12.809 3.619 96 HB VAL 14 HB VAL 14 -1.747 13.674 1.314 97 1HG1 VAL 14 HG11 VAL 14 0.693 12.858 1.084 98 2HG1 VAL 14 HG12 VAL 14 0.371 11.975 2.576 99 3HG1 VAL 14 HG13 VAL 14 0.223 13.732 2.542 100 1HG2 VAL 14 HG21 VAL 14 -1.035 10.842 0.567 101 2HG2 VAL 14 HG22 VAL 14 -1.100 12.252 -0.492 102 3HG2 VAL 14 HG23 VAL 14 -2.586 11.597 0.196 103 H THR 15 HN THR 15 -3.747 14.178 2.931 104 HA THR 15 HA THR 15 -6.236 12.779 2.608 105 HB THR 15 HB THR 15 -5.582 15.728 2.747 106 HG1 THR 15 HG1 THR 15 -5.871 15.517 4.825 107 1HG2 THR 15 HG21 THR 15 -7.681 16.278 2.342 108 2HG2 THR 15 HG22 THR 15 -8.270 15.092 3.508 109 3HG2 THR 15 HG23 THR 15 -7.974 14.614 1.836 110 H CYS 16 HN CYS 16 -7.483 12.600 0.822 111 HA CYS 16 HA CYS 16 -6.272 13.367 -1.716 112 1HB CYS 16 HB2 CYS 16 -8.742 11.708 -1.176 113 2HB CYS 16 HB1 CYS 16 -7.929 11.884 -2.728 114 HA PRO 17 HA PRO 17 -8.888 17.065 -1.532 115 1HB PRO 17 HB2 PRO 17 -7.508 17.632 -4.083 116 2HB PRO 17 HB1 PRO 17 -7.637 18.619 -2.625 117 1HG PRO 17 HG2 PRO 17 -5.347 17.409 -3.263 118 2HG PRO 17 HG1 PRO 17 -5.880 17.534 -1.576 119 1HD PRO 17 HD2 PRO 17 -6.024 15.195 -3.440 120 2HD PRO 17 HD1 PRO 17 -5.582 15.239 -1.725 121 HA PRO 18 HA PRO 18 -10.770 16.430 -5.929 122 1HB PRO 18 HB2 PRO 18 -10.085 14.155 -7.278 123 2HB PRO 18 HB1 PRO 18 -9.282 15.712 -7.494 124 1HG PRO 18 HG2 PRO 18 -8.423 13.340 -5.911 125 2HG PRO 18 HG1 PRO 18 -7.449 14.455 -6.882 126 1HD PRO 18 HD2 PRO 18 -7.598 14.560 -4.171 127 2HD PRO 18 HD1 PRO 18 -7.285 15.985 -5.179 128 H GLY 19 HN GLY 19 -12.070 14.408 -7.075 129 1HA GLY 19 HA2 GLY 19 -13.880 13.573 -5.048 130 2HA GLY 19 HA1 GLY 19 -13.928 13.098 -6.738 131 H GLU 20 HN GLU 20 -11.076 12.109 -6.442 132 HA GLU 20 HA GLU 20 -11.789 9.430 -5.657 133 1HB GLU 20 HB2 GLU 20 -9.449 8.896 -6.336 134 2HB GLU 20 HB1 GLU 20 -10.387 9.678 -7.599 135 1HG GLU 20 HG2 GLU 20 -8.811 11.459 -5.867 136 2HG GLU 20 HG1 GLU 20 -7.895 10.388 -6.925 137 H ASN 21 HN ASN 21 -12.227 9.876 -3.415 138 HA ASN 21 HA ASN 21 -9.803 10.258 -1.788 139 1HB ASN 21 HB2 ASN 21 -12.514 10.472 -0.567 140 2HB ASN 21 HB1 ASN 21 -11.033 11.331 -0.161 141 1HD2 ASN 21 HD21 ASN 21 -13.666 11.116 -2.457 142 2HD2 ASN 21 HD22 ASN 21 -13.569 12.751 -3.011 143 H LEU 22 HN LEU 22 -11.665 7.880 -2.971 144 HA LEU 22 HA LEU 22 -12.201 6.309 -0.670 145 1HB LEU 22 HB2 LEU 22 -13.092 6.194 -3.166 146 2HB LEU 22 HB1 LEU 22 -11.792 5.021 -3.311 147 HG LEU 22 HG LEU 22 -13.957 4.888 -1.236 148 1HD1 LEU 22 HD11 LEU 22 -14.458 2.788 -2.817 149 2HD1 LEU 22 HD12 LEU 22 -13.837 3.915 -4.023 150 3HD1 LEU 22 HD13 LEU 22 -15.229 4.359 -3.035 151 1HD2 LEU 22 HD21 LEU 22 -12.114 3.748 -0.417 152 2HD2 LEU 22 HD22 LEU 22 -11.692 3.094 -2.001 153 3HD2 LEU 22 HD23 LEU 22 -13.113 2.490 -1.147 154 H CYS 23 HN CYS 23 -10.936 5.073 0.478 155 HA CYS 23 HA CYS 23 -8.189 4.654 -0.379 156 1HB CYS 23 HB2 CYS 23 -9.538 4.250 2.273 157 2HB CYS 23 HB1 CYS 23 -7.844 3.913 1.970 158 H TYR 24 HN TYR 24 -7.797 2.851 -1.487 159 HA TYR 24 HA TYR 24 -9.369 0.473 -0.806 160 1HB TYR 24 HB2 TYR 24 -8.950 -0.368 -3.002 161 2HB TYR 24 HB1 TYR 24 -9.503 1.296 -3.155 162 HD1 TYR 24 HD1 TYR 24 -8.053 3.014 -3.996 163 HD2 TYR 24 HD2 TYR 24 -6.611 -0.957 -3.457 164 HE1 TYR 24 HE1 TYR 24 -6.077 3.547 -5.343 165 HE2 TYR 24 HE2 TYR 24 -4.642 -0.433 -4.792 166 HH TYR 24 HH TYR 24 -3.378 2.052 -5.334 167 H ARG 25 HN ARG 25 -8.461 -1.426 -0.376 168 HA ARG 25 HA ARG 25 -5.564 -1.485 0.141 169 1HB ARG 25 HB2 ARG 25 -7.872 -2.192 1.773 170 2HB ARG 25 HB1 ARG 25 -6.762 -3.545 1.608 171 1HG ARG 25 HG2 ARG 25 -5.235 -1.217 2.157 172 2HG ARG 25 HG1 ARG 25 -6.569 -1.291 3.309 173 1HD ARG 25 HD2 ARG 25 -5.704 -3.069 4.367 174 2HD ARG 25 HD1 ARG 25 -5.257 -3.865 2.859 175 HE ARG 25 HE ARG 25 -3.536 -2.429 4.560 176 1HH1 ARG 25 HH11 ARG 25 -4.215 -2.914 1.175 177 2HH1 ARG 25 HH12 ARG 25 -2.615 -2.489 0.666 178 1HH2 ARG 25 HH21 ARG 25 -1.443 -1.856 3.903 179 2HH2 ARG 25 HH22 ARG 25 -1.035 -1.891 2.220 180 H LYS 26 HN LYS 26 -5.087 -2.252 -1.930 181 HA LYS 26 HA LYS 26 -6.282 -4.792 -2.758 182 1HB LYS 26 HB2 LYS 26 -6.235 -2.924 -4.341 183 2HB LYS 26 HB1 LYS 26 -4.488 -2.883 -4.225 184 1HG LYS 26 HG2 LYS 26 -4.856 -5.454 -4.947 185 2HG LYS 26 HG1 LYS 26 -6.251 -4.699 -5.722 186 1HD LYS 26 HD2 LYS 26 -4.157 -4.821 -7.126 187 2HD LYS 26 HD1 LYS 26 -4.871 -3.214 -6.960 188 1HE LYS 26 HE2 LYS 26 -2.327 -3.444 -6.678 189 2HE LYS 26 HE1 LYS 26 -3.215 -2.499 -5.486 190 1HZ LYS 26 HZ1 LYS 26 -1.502 -4.387 -4.806 191 2HZ LYS 26 HZ2 LYS 26 -2.895 -5.337 -4.920 192 3HZ LYS 26 HZ3 LYS 26 -2.859 -4.012 -3.877 193 H MET 27 HN MET 27 -5.325 -6.642 -2.510 194 HA MET 27 HA MET 27 -2.415 -6.755 -2.426 195 1HB MET 27 HB2 MET 27 -4.205 -7.884 -0.262 196 2HB MET 27 HB1 MET 27 -2.485 -8.211 -0.405 197 1HG MET 27 HG2 MET 27 -2.013 -6.392 0.748 198 2HG MET 27 HG1 MET 27 -2.874 -5.394 -0.419 199 1HE MET 27 HE1 MET 27 -5.305 -8.005 1.731 200 2HE MET 27 HE2 MET 27 -4.624 -7.431 3.252 201 3HE MET 27 HE3 MET 27 -3.569 -8.122 2.019 202 H TRP 28 HN TRP 28 -1.555 -8.705 -3.044 203 HA TRP 28 HA TRP 28 -3.368 -10.899 -3.703 204 1HB TRP 28 HB2 TRP 28 -2.482 -11.153 -5.953 205 2HB TRP 28 HB1 TRP 28 -3.169 -9.545 -5.758 206 HD1 TRP 28 HD1 TRP 28 0.245 -11.295 -5.974 207 HE1 TRP 28 HE1 TRP 28 1.991 -9.562 -6.753 208 HE3 TRP 28 HE3 TRP 28 -2.692 -7.152 -5.916 209 HZ2 TRP 28 HZ2 TRP 28 2.077 -6.761 -7.270 210 HZ3 TRP 28 HZ3 TRP 28 -1.733 -5.013 -6.562 211 HH2 TRP 28 HH2 TRP 28 0.601 -4.795 -7.210 212 H CYS 29 HN CYS 29 -1.415 -12.452 -5.091 213 HA CYS 29 HA CYS 29 0.403 -12.985 -2.845 214 1HB CYS 29 HB2 CYS 29 0.085 -15.214 -3.064 215 2HB CYS 29 HB1 CYS 29 -1.416 -14.701 -3.814 216 H ASP 30 HN ASP 30 2.372 -12.374 -3.079 217 HA ASP 30 HA ASP 30 3.736 -12.872 -5.611 218 1HB ASP 30 HB2 ASP 30 2.862 -10.378 -5.148 219 2HB ASP 30 HB1 ASP 30 4.401 -10.302 -4.294 220 H ALA 31 HN ALA 31 5.145 -14.302 -4.977 221 HA ALA 31 HA ALA 31 7.179 -14.939 -4.135 222 1HB ALA 31 HB1 ALA 31 8.469 -13.513 -3.057 223 2HB ALA 31 HB2 ALA 31 7.292 -13.302 -1.770 224 3HB ALA 31 HB3 ALA 31 7.164 -12.348 -3.240 225 H PHE 32 HN PHE 32 4.423 -14.292 -1.932 226 HA PHE 32 HA PHE 32 5.216 -16.337 -0.083 227 1HB PHE 32 HB2 PHE 32 3.230 -14.481 -0.009 228 2HB PHE 32 HB1 PHE 32 2.313 -15.890 -0.490 229 HD1 PHE 32 HD1 PHE 32 5.271 -15.880 1.724 230 HD2 PHE 32 HD2 PHE 32 1.037 -16.234 1.454 231 HE1 PHE 32 HE1 PHE 32 5.185 -16.638 4.066 232 HE2 PHE 32 HE2 PHE 32 0.946 -16.990 3.794 233 HZ PHE 32 HZ PHE 32 3.021 -17.192 5.103 234 H CYS 33 HN CYS 33 3.653 -16.070 -3.106 235 HA CYS 33 HA CYS 33 2.746 -18.781 -3.268 236 1HB CYS 33 HB2 CYS 33 2.796 -16.358 -5.011 237 2HB CYS 33 HB1 CYS 33 2.746 -17.921 -5.830 238 H SER 34 HN SER 34 5.415 -16.772 -4.276 239 HA SER 34 HA SER 34 6.859 -19.012 -5.442 240 1HB SER 34 HB2 SER 34 7.431 -17.330 -6.833 241 2HB SER 34 HB1 SER 34 6.971 -16.091 -5.669 242 HG SER 34 HG SER 34 9.162 -15.944 -5.938 243 H SER 35 HN SER 35 8.025 -16.355 -3.347 244 HA SER 35 HA SER 35 9.127 -18.338 -1.499 245 1HB SER 35 HB2 SER 35 11.348 -17.450 -1.588 246 2HB SER 35 HB1 SER 35 10.833 -17.803 -3.237 247 HG SER 35 HG SER 35 10.888 -15.743 -3.703 248 H ARG 36 HN ARG 36 8.902 -14.754 -1.963 249 HA ARG 36 HA ARG 36 9.352 -14.290 0.808 250 1HB ARG 36 HB2 ARG 36 8.194 -12.118 -0.883 251 2HB ARG 36 HB1 ARG 36 9.367 -12.029 0.412 252 1HG ARG 36 HG2 ARG 36 10.776 -13.458 -1.369 253 2HG ARG 36 HG1 ARG 36 9.754 -12.520 -2.461 254 1HD ARG 36 HD2 ARG 36 10.451 -10.500 -1.009 255 2HD ARG 36 HD1 ARG 36 11.759 -11.551 -0.461 256 HE ARG 36 HE ARG 36 11.934 -11.728 -3.147 257 1HH1 ARG 36 HH11 ARG 36 11.778 -9.015 -0.957 258 2HH1 ARG 36 HH12 ARG 36 12.699 -7.971 -1.986 259 1HH2 ARG 36 HH21 ARG 36 13.146 -10.355 -4.502 260 2HH2 ARG 36 HH22 ARG 36 13.476 -8.732 -3.998 261 H GLY 37 HN GLY 37 6.500 -12.631 -0.653 262 1HA GLY 37 HA2 GLY 37 4.742 -14.106 1.112 263 2HA GLY 37 HA1 GLY 37 5.081 -12.476 1.638 264 H LYS 38 HN LYS 38 2.941 -11.830 1.451 265 HA LYS 38 HA LYS 38 1.686 -11.995 -1.176 266 1HB LYS 38 HB2 LYS 38 0.766 -11.740 1.563 267 2HB LYS 38 HB1 LYS 38 0.025 -10.524 0.532 268 1HG LYS 38 HG2 LYS 38 -1.477 -12.134 0.126 269 2HG LYS 38 HG1 LYS 38 -0.261 -12.728 -1.006 270 1HD LYS 38 HD2 LYS 38 0.340 -14.471 0.339 271 2HD LYS 38 HD1 LYS 38 -0.048 -13.600 1.823 272 1HE LYS 38 HE2 LYS 38 -2.081 -14.502 1.903 273 2HE LYS 38 HE1 LYS 38 -2.417 -14.034 0.236 274 1HZ LYS 38 HZ1 LYS 38 -2.554 -16.354 0.274 275 2HZ LYS 38 HZ2 LYS 38 -1.160 -16.525 1.217 276 3HZ LYS 38 HZ3 LYS 38 -1.033 -16.038 -0.398 277 H VAL 39 HN VAL 39 0.620 -9.955 -2.005 278 HA VAL 39 HA VAL 39 2.540 -7.758 -1.708 279 HB VAL 39 HB VAL 39 0.797 -8.668 -3.936 280 1HG1 VAL 39 HG11 VAL 39 -0.061 -6.617 -4.289 281 2HG1 VAL 39 HG12 VAL 39 1.562 -6.188 -4.827 282 3HG1 VAL 39 HG13 VAL 39 1.068 -5.845 -3.178 283 1HG2 VAL 39 HG21 VAL 39 2.743 -8.522 -5.179 284 2HG2 VAL 39 HG22 VAL 39 3.361 -8.929 -3.577 285 3HG2 VAL 39 HG23 VAL 39 3.428 -7.264 -4.152 286 H VAL 40 HN VAL 40 2.030 -5.831 -1.012 287 HA VAL 40 HA VAL 40 -0.776 -5.246 -0.384 288 HB VAL 40 HB VAL 40 1.332 -4.078 1.361 289 1HG1 VAL 40 HG11 VAL 40 -1.317 -5.196 2.183 290 2HG1 VAL 40 HG12 VAL 40 -1.214 -3.646 1.350 291 3HG1 VAL 40 HG13 VAL 40 -0.396 -3.872 2.893 292 1HG2 VAL 40 HG21 VAL 40 0.593 -6.292 2.792 293 2HG2 VAL 40 HG22 VAL 40 2.127 -6.091 1.960 294 3HG2 VAL 40 HG23 VAL 40 0.808 -6.949 1.171 295 H GLU 41 HN GLU 41 -1.381 -3.753 -1.679 296 HA GLU 41 HA GLU 41 0.376 -1.488 -2.350 297 1HB GLU 41 HB2 GLU 41 -0.225 -3.071 -4.185 298 2HB GLU 41 HB1 GLU 41 -1.906 -2.672 -3.904 299 1HG GLU 41 HG2 GLU 41 -0.636 -1.575 -5.832 300 2HG GLU 41 HG1 GLU 41 -1.738 -0.613 -4.840 301 H LEU 42 HN LEU 42 -0.286 0.336 -1.333 302 HA LEU 42 HA LEU 42 -3.098 0.634 -0.551 303 1HB LEU 42 HB2 LEU 42 -0.622 2.189 0.186 304 2HB LEU 42 HB1 LEU 42 -2.235 2.645 0.690 305 HG LEU 42 HG LEU 42 -0.838 0.088 1.430 306 1HD1 LEU 42 HD11 LEU 42 0.280 1.549 2.750 307 2HD1 LEU 42 HD12 LEU 42 -1.163 1.353 3.745 308 3HD1 LEU 42 HD13 LEU 42 -1.003 2.758 2.690 309 1HD2 LEU 42 HD21 LEU 42 -3.164 -0.327 1.415 310 2HD2 LEU 42 HD22 LEU 42 -3.523 1.252 2.113 311 3HD2 LEU 42 HD23 LEU 42 -2.752 0.009 3.098 312 H GLY 43 HN GLY 43 -4.421 2.272 -1.356 313 1HA GLY 43 HA2 GLY 43 -3.206 4.365 -2.962 314 2HA GLY 43 HA1 GLY 43 -4.163 3.224 -3.875 315 H CYS 44 HN CYS 44 -4.902 5.698 -4.104 316 HA CYS 44 HA CYS 44 -7.402 5.870 -2.590 317 1HB CYS 44 HB2 CYS 44 -5.815 7.444 -1.549 318 2HB CYS 44 HB1 CYS 44 -5.530 8.194 -3.114 319 H ALA 45 HN ALA 45 -8.914 5.592 -4.133 320 HA ALA 45 HA ALA 45 -8.633 7.141 -6.620 321 1HB ALA 45 HB1 ALA 45 -8.263 4.488 -6.592 322 2HB ALA 45 HB2 ALA 45 -8.940 5.361 -7.967 323 3HB ALA 45 HB3 ALA 45 -10.010 4.543 -6.826 324 H ALA 46 HN ALA 46 -10.874 6.760 -7.889 325 HA ALA 46 HA ALA 46 -13.019 7.471 -6.001 326 1HB ALA 46 HB1 ALA 46 -11.993 8.879 -8.316 327 2HB ALA 46 HB2 ALA 46 -13.101 9.433 -7.062 328 3HB ALA 46 HB3 ALA 46 -13.721 8.558 -8.460 329 H THR 47 HN THR 47 -11.977 5.530 -8.658 330 HA THR 47 HA THR 47 -14.616 4.268 -8.732 331 HB THR 47 HB THR 47 -14.223 5.624 -10.777 332 HG1 THR 47 HG1 THR 47 -14.169 2.843 -11.319 333 1HG2 THR 47 HG21 THR 47 -11.678 4.306 -10.703 334 2HG2 THR 47 HG22 THR 47 -12.218 5.659 -11.702 335 3HG2 THR 47 HG23 THR 47 -12.498 4.001 -12.237 336 H CYS 48 HN CYS 48 -12.976 3.263 -7.013 337 HA CYS 48 HA CYS 48 -11.178 1.297 -8.042 338 1HB CYS 48 HB2 CYS 48 -10.888 0.645 -5.737 339 2HB CYS 48 HB1 CYS 48 -10.941 2.402 -5.828 340 HA PRO 49 HA PRO 49 -14.228 -1.887 -8.663 341 1HB PRO 49 HB2 PRO 49 -12.605 -3.922 -9.261 342 2HB PRO 49 HB1 PRO 49 -12.759 -2.529 -10.338 343 1HG PRO 49 HG2 PRO 49 -10.597 -3.179 -8.378 344 2HG PRO 49 HG1 PRO 49 -10.464 -2.503 -10.011 345 1HD PRO 49 HD2 PRO 49 -10.370 -1.021 -7.676 346 2HD PRO 49 HD1 PRO 49 -10.786 -0.369 -9.273 347 H SER 50 HN SER 50 -14.339 -4.389 -8.049 348 HA SER 50 HA SER 50 -14.219 -4.459 -5.142 349 1HB SER 50 HB2 SER 50 -15.431 -6.456 -7.069 350 2HB SER 50 HB1 SER 50 -15.645 -6.434 -5.319 351 HG SER 50 HG SER 50 -16.353 -4.237 -6.952 352 H LYS 51 HN LYS 51 -13.797 -6.831 -4.283 353 HA LYS 51 HA LYS 51 -11.064 -7.448 -5.059 354 1HB LYS 51 HB2 LYS 51 -11.110 -8.914 -3.039 355 2HB LYS 51 HB1 LYS 51 -11.460 -7.224 -2.704 356 1HG LYS 51 HG2 LYS 51 -13.292 -7.870 -1.649 357 2HG LYS 51 HG1 LYS 51 -13.940 -8.417 -3.195 358 1HD LYS 51 HD2 LYS 51 -13.998 -10.455 -2.286 359 2HD LYS 51 HD1 LYS 51 -12.243 -10.462 -2.466 360 1HE LYS 51 HE2 LYS 51 -11.898 -10.261 -0.258 361 2HE LYS 51 HE1 LYS 51 -13.189 -9.074 -0.069 362 1HZ LYS 51 HZ1 LYS 51 -14.764 -10.707 0.244 363 2HZ LYS 51 HZ2 LYS 51 -13.423 -11.382 1.024 364 3HZ LYS 51 HZ3 LYS 51 -13.851 -11.907 -0.526 365 H LYS 52 HN LYS 52 -12.946 -8.182 -7.004 366 HA LYS 52 HA LYS 52 -13.376 -11.039 -6.723 367 1HB LYS 52 HB2 LYS 52 -15.181 -9.789 -7.689 368 2HB LYS 52 HB1 LYS 52 -14.112 -9.094 -8.902 369 1HG LYS 52 HG2 LYS 52 -15.431 -10.816 -9.921 370 2HG LYS 52 HG1 LYS 52 -13.752 -11.357 -9.827 371 1HD LYS 52 HD2 LYS 52 -15.327 -12.086 -7.481 372 2HD LYS 52 HD1 LYS 52 -15.956 -12.775 -8.978 373 1HE LYS 52 HE2 LYS 52 -13.394 -13.336 -9.362 374 2HE LYS 52 HE1 LYS 52 -13.362 -13.252 -7.602 375 1HZ LYS 52 HZ1 LYS 52 -14.939 -15.078 -9.315 376 2HZ LYS 52 HZ2 LYS 52 -15.311 -14.838 -7.683 377 3HZ LYS 52 HZ3 LYS 52 -13.807 -15.475 -8.120 378 HA PRO 53 HA PRO 53 -10.361 -10.699 -10.618 379 1HB PRO 53 HB2 PRO 53 -8.566 -8.609 -9.522 380 2HB PRO 53 HB1 PRO 53 -9.117 -8.867 -11.179 381 1HG PRO 53 HG2 PRO 53 -10.101 -6.872 -9.716 382 2HG PRO 53 HG1 PRO 53 -11.142 -7.798 -10.814 383 1HD PRO 53 HD2 PRO 53 -10.887 -7.981 -7.837 384 2HD PRO 53 HD1 PRO 53 -12.342 -8.069 -8.852 385 H TYR 54 HN TYR 54 -10.322 -12.117 -8.087 386 HA TYR 54 HA TYR 54 -9.019 -13.613 -6.993 387 1HB TYR 54 HB2 TYR 54 -8.136 -13.986 -9.326 388 2HB TYR 54 HB1 TYR 54 -6.842 -12.856 -8.938 389 HD1 TYR 54 HD1 TYR 54 -5.059 -13.466 -7.432 390 HD2 TYR 54 HD2 TYR 54 -8.219 -16.187 -8.287 391 HE1 TYR 54 HE1 TYR 54 -3.735 -15.304 -6.462 392 HE2 TYR 54 HE2 TYR 54 -6.907 -18.029 -7.315 393 HH TYR 54 HH TYR 54 -3.626 -17.809 -6.671 394 H GLU 55 HN GLU 55 -8.744 -10.474 -6.692 395 HA GLU 55 HA GLU 55 -6.495 -10.729 -4.811 396 1HB GLU 55 HB2 GLU 55 -6.953 -8.166 -6.298 397 2HB GLU 55 HB1 GLU 55 -5.513 -8.716 -5.455 398 1HG GLU 55 HG2 GLU 55 -4.751 -9.884 -7.219 399 2HG GLU 55 HG1 GLU 55 -6.366 -10.351 -7.749 400 H GLU 56 HN GLU 56 -6.648 -9.600 -2.899 401 HA GLU 56 HA GLU 56 -9.338 -8.891 -2.117 402 1HB GLU 56 HB2 GLU 56 -7.660 -10.232 -0.724 403 2HB GLU 56 HB1 GLU 56 -6.875 -8.694 -0.395 404 1HG GLU 56 HG2 GLU 56 -8.955 -7.850 0.582 405 2HG GLU 56 HG1 GLU 56 -9.723 -9.406 0.272 406 H VAL 57 HN VAL 57 -9.657 -6.982 -3.343 407 HA VAL 57 HA VAL 57 -8.110 -4.648 -2.439 408 HB VAL 57 HB VAL 57 -7.998 -4.921 -4.839 409 1HG1 VAL 57 HG11 VAL 57 -10.828 -5.544 -4.520 410 2HG1 VAL 57 HG12 VAL 57 -9.699 -6.011 -5.793 411 3HG1 VAL 57 HG13 VAL 57 -10.501 -4.442 -5.858 412 1HG2 VAL 57 HG21 VAL 57 -8.997 -2.620 -3.527 413 2HG2 VAL 57 HG22 VAL 57 -9.826 -2.740 -5.080 414 3HG2 VAL 57 HG23 VAL 57 -8.064 -2.704 -5.022 415 H THR 58 HN THR 58 -9.382 -4.526 -0.484 416 HA THR 58 HA THR 58 -12.205 -4.122 -0.644 417 HB THR 58 HB THR 58 -10.716 -3.132 1.729 418 HG1 THR 58 HG1 THR 58 -10.680 -5.820 0.861 419 1HG2 THR 58 HG21 THR 58 -13.170 -4.769 1.253 420 2HG2 THR 58 HG22 THR 58 -13.000 -3.237 2.107 421 3HG2 THR 58 HG23 THR 58 -12.391 -4.724 2.834 422 H CYS 59 HN CYS 59 -13.365 -2.244 -0.650 423 HA CYS 59 HA CYS 59 -11.804 0.218 -1.052 424 1HB CYS 59 HB2 CYS 59 -14.416 -0.719 -2.203 425 2HB CYS 59 HB1 CYS 59 -13.986 0.987 -2.197 426 H CYS 60 HN CYS 60 -11.875 1.629 0.531 427 HA CYS 60 HA CYS 60 -14.378 2.113 1.950 428 1HB CYS 60 HB2 CYS 60 -13.322 2.061 4.131 429 2HB CYS 60 HB1 CYS 60 -13.074 0.512 3.333 430 H SER 61 HN SER 61 -14.760 4.245 2.179 431 HA SER 61 HA SER 61 -12.551 6.027 1.437 432 1HB SER 61 HB2 SER 61 -14.704 7.627 1.201 433 2HB SER 61 HB1 SER 61 -14.138 6.578 -0.098 434 HG SER 61 HG SER 61 -16.213 6.057 1.761 435 H THR 62 HN THR 62 -11.982 5.639 3.868 436 HA THR 62 HA THR 62 -13.105 7.900 5.356 437 HB THR 62 HB THR 62 -12.758 6.318 7.420 438 HG1 THR 62 HG1 THR 62 -13.422 4.186 6.856 439 1HG2 THR 62 HG21 THR 62 -15.168 6.140 5.639 440 2HG2 THR 62 HG22 THR 62 -14.884 7.331 6.907 441 3HG2 THR 62 HG23 THR 62 -15.102 5.632 7.326 442 H ASP 63 HN ASP 63 -11.711 8.777 6.986 443 HA ASP 63 HA ASP 63 -9.190 9.358 6.320 444 1HB ASP 63 HB2 ASP 63 -10.062 8.926 9.180 445 2HB ASP 63 HB1 ASP 63 -8.764 9.978 8.623 446 H LYS 64 HN LYS 64 -7.656 8.067 5.692 447 HA LYS 64 HA LYS 64 -6.217 6.269 5.555 448 1HB LYS 64 HB2 LYS 64 -6.151 6.976 8.475 449 2HB LYS 64 HB1 LYS 64 -5.105 5.742 7.792 450 1HG LYS 64 HG2 LYS 64 -3.670 7.282 7.138 451 2HG LYS 64 HG1 LYS 64 -4.926 8.088 6.191 452 1HD LYS 64 HD2 LYS 64 -5.573 9.426 7.998 453 2HD LYS 64 HD1 LYS 64 -4.699 8.426 9.154 454 1HE LYS 64 HE2 LYS 64 -3.221 9.843 6.972 455 2HE LYS 64 HE1 LYS 64 -3.695 10.714 8.430 456 1HZ LYS 64 HZ1 LYS 64 -2.565 8.816 9.665 457 2HZ LYS 64 HZ2 LYS 64 -1.565 9.931 8.879 458 3HZ LYS 64 HZ3 LYS 64 -1.853 8.417 8.181 459 H CYS 65 HN CYS 65 -8.753 5.300 5.485 460 HA CYS 65 HA CYS 65 -9.044 3.223 7.453 461 1HB CYS 65 HB2 CYS 65 -11.073 2.629 6.343 462 2HB CYS 65 HB1 CYS 65 -10.988 4.385 6.445 463 H ASN 66 HN ASN 66 -6.882 3.483 5.096 464 HA ASN 66 HA ASN 66 -7.111 0.663 4.267 465 1HB ASN 66 HB2 ASN 66 -5.439 1.373 2.462 466 2HB ASN 66 HB1 ASN 66 -7.090 1.959 2.298 467 1HD2 ASN 66 HD21 ASN 66 -4.467 2.957 1.330 468 2HD2 ASN 66 HD22 ASN 66 -4.413 4.605 1.840 469 HA PRO 67 HA PRO 67 -3.305 1.004 6.951 470 1HB PRO 67 HB2 PRO 67 -4.041 -0.377 9.078 471 2HB PRO 67 HB1 PRO 67 -4.659 1.269 8.847 472 1HG PRO 67 HG2 PRO 67 -5.984 -1.341 8.175 473 2HG PRO 67 HG1 PRO 67 -6.638 0.020 9.111 474 1HD PRO 67 HD2 PRO 67 -7.150 -0.322 6.457 475 2HD PRO 67 HD1 PRO 67 -7.059 1.274 7.227 476 H HIS 68 HN HIS 68 -1.822 -0.736 7.484 477 HA HIS 68 HA HIS 68 -1.872 -2.818 5.581 478 1HB HIS 68 HB2 HIS 68 0.122 -1.669 6.923 479 2HB HIS 68 HB1 HIS 68 -0.085 -3.098 7.937 480 HD1 HIS 68 HD1 HIS 68 1.093 -2.009 4.576 481 HD2 HIS 68 HD2 HIS 68 0.519 -5.553 6.673 482 HE1 HIS 68 HE1 HIS 68 2.101 -3.824 3.162 483 HE2 HIS 68 HE2 HIS 68 1.693 -5.952 4.413 484 HA PRO 69 HA PRO 69 -4.310 -5.927 7.577 485 1HB PRO 69 HB2 PRO 69 -3.306 -8.106 6.250 486 2HB PRO 69 HB1 PRO 69 -4.510 -7.000 5.579 487 1HG PRO 69 HG2 PRO 69 -1.555 -7.089 5.128 488 2HG PRO 69 HG1 PRO 69 -2.860 -6.798 3.965 489 1HD PRO 69 HD2 PRO 69 -1.374 -4.792 4.969 490 2HD PRO 69 HD1 PRO 69 -3.092 -4.588 4.584 491 H LYS 70 HN LYS 70 -1.116 -7.419 6.924 492 HA LYS 70 HA LYS 70 -1.150 -8.862 9.361 493 1HB LYS 70 HB2 LYS 70 0.131 -9.952 7.812 494 2HB LYS 70 HB1 LYS 70 0.736 -8.464 7.104 495 1HG LYS 70 HG2 LYS 70 1.658 -9.196 9.831 496 2HG LYS 70 HG1 LYS 70 2.299 -10.094 8.454 497 1HD LYS 70 HD2 LYS 70 2.320 -7.086 8.656 498 2HD LYS 70 HD1 LYS 70 3.665 -8.110 9.139 499 1HE LYS 70 HE2 LYS 70 4.383 -7.954 7.039 500 2HE LYS 70 HE1 LYS 70 3.033 -8.994 6.595 501 1HZ LYS 70 HZ1 LYS 70 3.206 -6.883 5.315 502 2HZ LYS 70 HZ2 LYS 70 2.843 -6.039 6.735 503 3HZ LYS 70 HZ3 LYS 70 1.714 -7.111 6.077 504 H GLN 71 HN GLN 71 0.336 -5.842 8.363 505 HA GLN 71 HA GLN 71 1.629 -5.540 10.962 506 1HB GLN 71 HB2 GLN 71 1.906 -4.252 8.300 507 2HB GLN 71 HB1 GLN 71 2.262 -3.257 9.705 508 1HG GLN 71 HG2 GLN 71 3.703 -5.358 10.389 509 2HG GLN 71 HG1 GLN 71 3.688 -5.633 8.647 510 1HE2 GLN 71 HE21 GLN 71 5.170 -4.632 7.482 511 2HE2 GLN 71 HE22 GLN 71 6.121 -3.283 7.995 512 H ARG 72 HN ARG 72 1.499 -3.289 11.939 513 HA ARG 72 HA ARG 72 -0.418 -1.423 11.579 514 1HB ARG 72 HB2 ARG 72 -2.208 -2.111 13.263 515 2HB ARG 72 HB1 ARG 72 -2.258 -2.863 11.678 516 1HG ARG 72 HG2 ARG 72 -1.089 -4.838 12.668 517 2HG ARG 72 HG1 ARG 72 -1.283 -4.079 14.249 518 1HD ARG 72 HD2 ARG 72 -3.052 -5.700 13.843 519 2HD ARG 72 HD1 ARG 72 -3.708 -4.066 13.948 520 HE ARG 72 HE ARG 72 -3.165 -4.737 11.254 521 1HH1 ARG 72 HH11 ARG 72 -5.417 -5.404 13.834 522 2HH1 ARG 72 HH12 ARG 72 -6.728 -5.770 12.765 523 1HH2 ARG 72 HH21 ARG 72 -4.889 -5.217 9.844 524 2HH2 ARG 72 HH22 ARG 72 -6.428 -5.664 10.499 525 HA PRO 73 HA PRO 73 0.989 -1.369 16.182 526 1HB PRO 73 HB2 PRO 73 3.117 -3.322 16.450 527 2HB PRO 73 HB1 PRO 73 1.607 -3.203 17.355 528 1HG PRO 73 HG2 PRO 73 2.147 -5.219 15.606 529 2HG PRO 73 HG1 PRO 73 0.506 -4.647 15.960 530 1HD PRO 73 HD2 PRO 73 2.278 -4.005 13.629 531 2HD PRO 73 HD1 PRO 73 0.543 -4.367 13.655 532 H GLY 74 HN GLY 74 2.059 0.509 16.047 533 1HA GLY 74 HA2 GLY 74 4.251 1.020 14.365 534 2HA GLY 74 HA1 GLY 74 3.749 2.026 15.715 535 1H GLU 180 HT1 GLU 180 21.408 15.528 -1.905 536 2H GLU 180 HT2 GLU 180 22.247 15.760 -3.384 537 3H GLU 180 HT3 GLU 180 21.355 14.319 -3.119 538 HA GLU 180 HA GLU 180 20.342 17.050 -3.496 539 1HB GLU 180 HB2 GLU 180 20.037 14.433 -4.980 540 2HB GLU 180 HB1 GLU 180 19.130 15.890 -5.359 541 1HG GLU 180 HG2 GLU 180 21.149 17.055 -5.948 542 2HG GLU 180 HG1 GLU 180 22.132 15.686 -5.427 543 H GLU 181 HN GLU 181 17.941 17.109 -3.595 544 HA GLU 181 HA GLU 181 16.836 15.581 -1.354 545 1HB GLU 181 HB2 GLU 181 16.663 18.026 -1.236 546 2HB GLU 181 HB1 GLU 181 15.780 18.044 -2.756 547 1HG GLU 181 HG2 GLU 181 14.282 18.297 -0.864 548 2HG GLU 181 HG1 GLU 181 13.962 16.795 -1.730 549 H ARG 182 HN ARG 182 15.635 13.859 -1.774 550 HA ARG 182 HA ARG 182 13.953 13.861 -4.185 551 1HB ARG 182 HB2 ARG 182 15.397 11.419 -3.159 552 2HB ARG 182 HB1 ARG 182 14.491 11.578 -4.658 553 1HG ARG 182 HG2 ARG 182 16.169 12.738 -5.710 554 2HG ARG 182 HG1 ARG 182 16.852 13.334 -4.196 555 1HD ARG 182 HD2 ARG 182 17.287 10.756 -3.798 556 2HD ARG 182 HD1 ARG 182 17.233 10.718 -5.560 557 HE ARG 182 HE ARG 182 18.935 12.768 -4.979 558 1HH1 ARG 182 HH11 ARG 182 18.795 9.385 -4.133 559 2HH1 ARG 182 HH12 ARG 182 20.513 9.217 -4.003 560 1HH2 ARG 182 HH21 ARG 182 21.196 12.549 -4.810 561 2HH2 ARG 182 HH22 ARG 182 21.877 11.013 -4.386 562 H GLY 183 HN GLY 183 12.002 14.161 -3.239 563 1HA GLY 183 HA2 GLY 183 11.295 12.493 -0.924 564 2HA GLY 183 HA1 GLY 183 10.426 13.924 -1.462 565 H TRP 184 HN TRP 184 11.462 11.435 -3.671 566 HA TRP 184 HA TRP 184 9.049 11.128 -4.952 567 1HB TRP 184 HB2 TRP 184 9.996 8.722 -5.455 568 2HB TRP 184 HB1 TRP 184 10.728 10.158 -6.151 569 HD1 TRP 184 HD1 TRP 184 12.984 8.807 -6.449 570 HE1 TRP 184 HE1 TRP 184 14.890 8.248 -4.824 571 HE3 TRP 184 HE3 TRP 184 10.594 9.706 -1.990 572 HZ2 TRP 184 HZ2 TRP 184 15.338 8.198 -2.050 573 HZ3 TRP 184 HZ3 TRP 184 11.845 9.373 0.089 574 HH2 TRP 184 HH2 TRP 184 14.169 8.633 0.062 575 H LYS 185 HN LYS 185 8.020 8.775 -5.129 576 HA LYS 185 HA LYS 185 7.475 7.742 -2.458 577 1HB LYS 185 HB2 LYS 185 5.685 9.447 -3.893 578 2HB LYS 185 HB1 LYS 185 4.965 7.857 -3.772 579 1HG LYS 185 HG2 LYS 185 4.210 8.578 -1.813 580 2HG LYS 185 HG1 LYS 185 5.833 8.226 -1.251 581 1HD LYS 185 HD2 LYS 185 5.064 10.429 -0.545 582 2HD LYS 185 HD1 LYS 185 6.491 10.519 -1.582 583 1HE LYS 185 HE2 LYS 185 3.907 10.640 -2.985 584 2HE LYS 185 HE1 LYS 185 4.244 12.005 -1.921 585 1HZ LYS 185 HZ1 LYS 185 5.405 12.813 -3.620 586 2HZ LYS 185 HZ2 LYS 185 5.407 11.341 -4.452 587 3HZ LYS 185 HZ3 LYS 185 6.578 11.643 -3.271 588 H HIS 186 HN HIS 186 8.671 5.812 -3.235 589 HA HIS 186 HA HIS 186 6.923 4.158 -4.934 590 1HB HIS 186 HB2 HIS 186 9.200 5.056 -5.950 591 2HB HIS 186 HB1 HIS 186 9.878 3.732 -5.024 592 HD1 HIS 186 HD1 HIS 186 6.607 2.761 -6.181 593 HD2 HIS 186 HD2 HIS 186 10.429 2.861 -7.808 594 HE1 HIS 186 HE1 HIS 186 6.528 1.235 -8.177 595 HE2 HIS 186 HE2 HIS 186 8.842 1.337 -9.166 596 H TRP 187 HN TRP 187 6.265 2.361 -3.889 597 HA TRP 187 HA TRP 187 8.011 1.192 -1.818 598 1HB TRP 187 HB2 TRP 187 5.487 2.543 -1.419 599 2HB TRP 187 HB1 TRP 187 5.429 0.897 -0.817 600 HD1 TRP 187 HD1 TRP 187 6.633 4.305 0.019 601 HE1 TRP 187 HE1 TRP 187 7.868 4.297 2.243 602 HE3 TRP 187 HE3 TRP 187 7.080 -0.743 0.709 603 HZ2 TRP 187 HZ2 TRP 187 8.913 2.429 4.064 604 HZ3 TRP 187 HZ3 TRP 187 8.213 -1.544 2.715 605 HH2 TRP 187 HH2 TRP 187 9.100 0.014 4.377 606 H VAL 188 HN VAL 188 7.031 -0.814 -0.951 607 HA VAL 188 HA VAL 188 5.277 -2.379 -2.559 608 HB VAL 188 HB VAL 188 7.948 -3.679 -2.257 609 1HG1 VAL 188 HG11 VAL 188 5.488 -4.340 -3.374 610 2HG1 VAL 188 HG12 VAL 188 6.998 -5.239 -3.514 611 3HG1 VAL 188 HG13 VAL 188 6.553 -4.064 -4.752 612 1HG2 VAL 188 HG21 VAL 188 7.329 -1.865 -4.588 613 2HG2 VAL 188 HG22 VAL 188 8.771 -2.857 -4.370 614 3HG2 VAL 188 HG23 VAL 188 8.469 -1.491 -3.296 615 H TYR 189 HN TYR 189 4.124 -2.596 -0.536 616 HA TYR 189 HA TYR 189 5.642 -3.853 1.625 617 1HB TYR 189 HB2 TYR 189 2.809 -2.803 1.606 618 2HB TYR 189 HB1 TYR 189 3.679 -3.407 3.009 619 HD1 TYR 189 HD1 TYR 189 4.887 -1.963 4.334 620 HD2 TYR 189 HD2 TYR 189 3.738 -0.756 0.442 621 HE1 TYR 189 HE1 TYR 189 5.622 0.299 4.821 622 HE2 TYR 189 HE2 TYR 189 4.463 1.534 0.929 623 HH TYR 189 HH TYR 189 5.416 2.894 2.421 624 H TYR 190 HN TYR 190 5.424 -5.939 2.135 625 HA TYR 190 HA TYR 190 3.336 -7.451 0.720 626 1HB TYR 190 HB2 TYR 190 6.092 -8.284 1.632 627 2HB TYR 190 HB1 TYR 190 4.889 -9.419 1.036 628 HD1 TYR 190 HD1 TYR 190 4.277 -6.597 -0.810 629 HD2 TYR 190 HD2 TYR 190 7.234 -9.617 -0.400 630 HE1 TYR 190 HE1 TYR 190 5.025 -6.150 -3.084 631 HE2 TYR 190 HE2 TYR 190 7.991 -9.194 -2.698 632 HH TYR 190 HH TYR 190 7.933 -7.386 -4.351 633 H THR 191 HN THR 191 1.958 -8.745 1.831 634 HA THR 191 HA THR 191 1.901 -8.493 4.702 635 HB THR 191 HB THR 191 -0.249 -9.243 4.634 636 HG1 THR 191 HG1 THR 191 -0.856 -11.071 3.687 637 1HG2 THR 191 HG21 THR 191 -0.512 -7.616 2.964 638 2HG2 THR 191 HG22 THR 191 -1.387 -9.039 2.413 639 3HG2 THR 191 HG23 THR 191 0.187 -8.656 1.727 640 H CYS 192 HN CYS 192 1.798 -10.386 6.106 641 HA CYS 192 HA CYS 192 2.175 -12.812 6.355 642 1HB CYS 192 HB2 CYS 192 3.800 -13.996 5.127 643 2HB CYS 192 HB1 CYS 192 3.080 -12.945 3.919 644 H CYS 193 HN CYS 193 4.699 -10.426 5.942 645 HA CYS 193 HA CYS 193 5.850 -11.286 8.499 646 1HB CYS 193 HB2 CYS 193 7.486 -10.651 6.054 647 2HB CYS 193 HB1 CYS 193 7.936 -11.610 7.465 648 HA PRO 194 HA PRO 194 5.255 -6.835 9.186 649 1HB PRO 194 HB2 PRO 194 6.693 -7.874 11.594 650 2HB PRO 194 HB1 PRO 194 5.344 -6.734 11.506 651 1HG PRO 194 HG2 PRO 194 4.895 -9.237 12.196 652 2HG PRO 194 HG1 PRO 194 3.796 -8.428 11.063 653 1HD PRO 194 HD2 PRO 194 5.911 -10.461 10.528 654 2HD PRO 194 HD1 PRO 194 4.333 -10.237 9.743 655 H ASP 195 HN ASP 195 8.207 -8.736 9.662 656 HA ASP 195 HA ASP 195 9.840 -6.329 9.484 657 1HB ASP 195 HB2 ASP 195 10.514 -9.206 10.104 658 2HB ASP 195 HB1 ASP 195 11.728 -7.940 9.947 659 H THR 196 HN THR 196 8.461 -6.988 7.108 660 HA THR 196 HA THR 196 10.771 -7.443 5.382 661 HB THR 196 HB THR 196 9.540 -8.928 3.902 662 HG1 THR 196 HG1 THR 196 7.436 -8.154 4.396 663 1HG2 THR 196 HG21 THR 196 9.423 -9.895 6.747 664 2HG2 THR 196 HG22 THR 196 10.804 -10.016 5.656 665 3HG2 THR 196 HG23 THR 196 9.322 -10.907 5.307 666 HA PRO 197 HA PRO 197 7.859 -4.049 3.891 667 1HB PRO 197 HB2 PRO 197 8.996 -1.850 4.889 668 2HB PRO 197 HB1 PRO 197 7.891 -2.818 5.874 669 1HG PRO 197 HG2 PRO 197 10.884 -2.750 5.895 670 2HG PRO 197 HG1 PRO 197 9.757 -2.804 7.262 671 1HD PRO 197 HD2 PRO 197 11.067 -5.002 6.238 672 2HD PRO 197 HD1 PRO 197 9.543 -5.074 7.145 673 H TYR 198 HN TYR 198 8.455 -3.952 1.756 674 HA TYR 198 HA TYR 198 11.271 -3.406 1.152 675 1HB TYR 198 HB2 TYR 198 9.134 -4.221 -0.819 676 2HB TYR 198 HB1 TYR 198 10.875 -4.318 -1.019 677 HD1 TYR 198 HD1 TYR 198 10.785 -5.443 2.122 678 HD2 TYR 198 HD2 TYR 198 9.275 -6.577 -1.685 679 HE1 TYR 198 HE1 TYR 198 10.691 -7.786 2.858 680 HE2 TYR 198 HE2 TYR 198 9.199 -8.891 -0.969 681 HH TYR 198 HH TYR 198 10.657 -10.000 1.938 682 H LEU 199 HN LEU 199 11.837 -1.403 0.773 683 HA LEU 199 HA LEU 199 9.835 0.571 -0.041 684 1HB LEU 199 HB2 LEU 199 11.488 0.749 1.960 685 2HB LEU 199 HB1 LEU 199 12.666 1.174 0.736 686 HG LEU 199 HG LEU 199 10.082 2.681 1.083 687 1HD1 LEU 199 HD11 LEU 199 11.158 2.913 3.173 688 2HD1 LEU 199 HD12 LEU 199 11.557 4.367 2.257 689 3HD1 LEU 199 HD13 LEU 199 12.746 3.075 2.422 690 1HD2 LEU 199 HD21 LEU 199 10.772 3.671 -0.787 691 2HD2 LEU 199 HD22 LEU 199 12.308 2.806 -0.751 692 3HD2 LEU 199 HD23 LEU 199 12.128 4.322 0.132 693 H ASP 200 HN ASP 200 10.215 2.066 -1.727 694 HA ASP 200 HA ASP 200 12.343 1.335 -3.608 695 1HB ASP 200 HB2 ASP 200 9.411 1.458 -4.116 696 2HB ASP 200 HB1 ASP 200 10.493 2.004 -5.392 697 H ILE 201 HN ILE 201 13.494 2.935 -4.327 698 HA ILE 201 HA ILE 201 12.442 5.670 -4.321 699 HB ILE 201 HB ILE 201 14.584 6.497 -3.405 700 1HG1 ILE 201 HG12 ILE 201 15.156 3.567 -2.911 701 2HG1 ILE 201 HG11 ILE 201 16.002 4.597 -4.061 702 1HG2 ILE 201 HG21 ILE 201 12.496 5.814 -2.024 703 2HG2 ILE 201 HG22 ILE 201 14.001 6.203 -1.191 704 3HG2 ILE 201 HG23 ILE 201 13.537 4.518 -1.430 705 1HD1 ILE 201 HD11 ILE 201 17.287 5.513 -2.475 706 2HD1 ILE 201 HD12 ILE 201 16.840 4.082 -1.547 707 3HD1 ILE 201 HD13 ILE 201 15.970 5.596 -1.307 708 H THR 202 HN THR 202 15.439 6.366 -4.955 709 HA THR 202 HA THR 202 15.476 5.340 -7.705 710 HB THR 202 HB THR 202 15.910 8.212 -6.861 711 HG1 THR 202 HG1 THR 202 13.893 6.913 -8.360 712 1HG2 THR 202 HG21 THR 202 16.901 8.672 -8.783 713 2HG2 THR 202 HG22 THR 202 15.686 7.780 -9.697 714 3HG2 THR 202 HG23 THR 202 17.082 6.936 -9.029 715 H GLU 203 HN GLU 203 16.981 3.991 -6.140 716 HA GLU 203 HA GLU 203 19.519 5.097 -5.495 717 1HB GLU 203 HB2 GLU 203 18.227 2.459 -5.382 718 2HB GLU 203 HB1 GLU 203 19.963 2.398 -5.652 719 1HG GLU 203 HG2 GLU 203 19.074 4.216 -3.519 720 2HG GLU 203 HG1 GLU 203 18.810 2.499 -3.225 721 H GLU 204 HN GLU 204 21.479 4.940 -6.544 722 HA GLU 204 HA GLU 204 21.860 3.475 -8.951 723 1HB GLU 204 HB2 GLU 204 22.230 5.534 -10.393 724 2HB GLU 204 HB1 GLU 204 20.558 5.116 -10.048 725 1HG GLU 204 HG2 GLU 204 21.203 6.827 -7.997 726 2HG GLU 204 HG1 GLU 204 22.066 7.507 -9.375 Start of MODEL 12 1 1H ILE 1 HT1 ILE 1 -11.227 13.557 2.522 2 2H ILE 1 HT2 ILE 1 -10.481 14.569 3.690 3 3H ILE 1 HT3 ILE 1 -12.083 14.007 3.937 4 HA ILE 1 HA ILE 1 -10.756 12.717 5.297 5 HB ILE 1 HB ILE 1 -10.806 10.854 2.995 6 1HG1 ILE 1 HG12 ILE 1 -13.311 12.079 4.176 7 2HG1 ILE 1 HG11 ILE 1 -12.755 12.256 2.514 8 1HG2 ILE 1 HG21 ILE 1 -11.482 10.832 5.901 9 2HG2 ILE 1 HG22 ILE 1 -10.404 9.776 4.987 10 3HG2 ILE 1 HG23 ILE 1 -12.151 9.595 4.837 11 1HD1 ILE 1 HD11 ILE 1 -12.985 9.483 3.260 12 2HD1 ILE 1 HD12 ILE 1 -13.717 10.357 1.913 13 3HD1 ILE 1 HD13 ILE 1 -14.503 10.351 3.492 14 H VAL 2 HN VAL 2 -9.072 11.153 5.514 15 HA VAL 2 HA VAL 2 -6.643 12.041 4.134 16 HB VAL 2 HB VAL 2 -7.021 10.409 6.661 17 1HG1 VAL 2 HG11 VAL 2 -4.534 11.385 5.260 18 2HG1 VAL 2 HG12 VAL 2 -4.959 9.731 5.702 19 3HG1 VAL 2 HG13 VAL 2 -4.550 10.902 6.957 20 1HG2 VAL 2 HG21 VAL 2 -6.508 12.328 7.897 21 2HG2 VAL 2 HG22 VAL 2 -7.619 12.903 6.652 22 3HG2 VAL 2 HG23 VAL 2 -5.886 13.185 6.486 23 H CYS 3 HN CYS 3 -5.082 10.315 3.499 24 HA CYS 3 HA CYS 3 -6.229 7.667 3.251 25 1HB CYS 3 HB2 CYS 3 -6.799 9.254 1.196 26 2HB CYS 3 HB1 CYS 3 -5.176 8.777 0.704 27 H HIS 4 HN HIS 4 -4.785 6.079 3.161 28 HA HIS 4 HA HIS 4 -2.003 6.803 3.566 29 1HB HIS 4 HB2 HIS 4 -3.674 4.373 3.985 30 2HB HIS 4 HB1 HIS 4 -1.942 4.157 3.772 31 HD1 HIS 4 HD1 HIS 4 -1.509 7.013 5.413 32 HD2 HIS 4 HD2 HIS 4 -3.370 3.513 6.633 33 HE1 HIS 4 HE1 HIS 4 -1.411 7.049 7.925 34 HE2 HIS 4 HE2 HIS 4 -2.443 4.864 8.641 35 H THR 5 HN THR 5 -0.403 5.240 2.537 36 HA THR 5 HA THR 5 -0.968 4.007 0.084 37 HB THR 5 HB THR 5 -1.230 6.034 -1.021 38 HG1 THR 5 HG1 THR 5 0.244 5.213 -2.306 39 1HG2 THR 5 HG21 THR 5 0.976 7.655 -0.472 40 2HG2 THR 5 HG22 THR 5 0.349 7.131 1.088 41 3HG2 THR 5 HG23 THR 5 -0.713 7.947 -0.057 42 H THR 6 HN THR 6 1.105 3.436 -1.081 43 HA THR 6 HA THR 6 3.313 3.183 0.810 44 HB THR 6 HB THR 6 3.643 0.968 0.004 45 HG1 THR 6 HG1 THR 6 3.087 0.514 -1.945 46 1HG2 THR 6 HG21 THR 6 1.862 1.209 1.679 47 2HG2 THR 6 HG22 THR 6 1.644 -0.186 0.622 48 3HG2 THR 6 HG23 THR 6 0.692 1.277 0.364 49 H ALA 7 HN ALA 7 4.694 4.754 -0.061 50 HA ALA 7 HA ALA 7 5.852 4.088 -2.598 51 1HB ALA 7 HB1 ALA 7 3.719 5.268 -3.136 52 2HB ALA 7 HB2 ALA 7 5.168 5.920 -3.881 53 3HB ALA 7 HB3 ALA 7 4.453 6.730 -2.493 54 H THR 8 HN THR 8 5.796 6.516 0.040 55 HA THR 8 HA THR 8 8.335 7.602 -0.815 56 HB THR 8 HB THR 8 6.889 9.143 0.229 57 HG1 THR 8 HG1 THR 8 8.216 9.975 1.700 58 1HG2 THR 8 HG21 THR 8 6.270 8.815 2.685 59 2HG2 THR 8 HG22 THR 8 6.611 7.110 2.392 60 3HG2 THR 8 HG23 THR 8 5.362 7.927 1.464 61 H SER 9 HN SER 9 9.363 7.848 2.047 62 HA SER 9 HA SER 9 11.062 5.573 1.910 63 1HB SER 9 HB2 SER 9 10.859 7.102 4.471 64 2HB SER 9 HB1 SER 9 12.286 6.520 3.621 65 HG SER 9 HG SER 9 10.746 8.824 3.119 66 HA PRO 10 HA PRO 10 8.216 3.769 5.194 67 1HB PRO 10 HB2 PRO 10 6.842 5.375 6.853 68 2HB PRO 10 HB1 PRO 10 8.592 5.194 7.022 69 1HG PRO 10 HG2 PRO 10 7.058 7.516 6.125 70 2HG PRO 10 HG1 PRO 10 8.760 7.421 6.606 71 1HD PRO 10 HD2 PRO 10 7.575 7.332 3.920 72 2HD PRO 10 HD1 PRO 10 9.253 7.646 4.391 73 H ILE 11 HN ILE 11 5.581 4.033 6.000 74 HA ILE 11 HA ILE 11 4.132 3.845 3.564 75 HB ILE 11 HB ILE 11 2.994 4.278 6.336 76 1HG1 ILE 11 HG12 ILE 11 2.783 1.574 5.347 77 2HG1 ILE 11 HG11 ILE 11 4.468 2.087 5.373 78 1HG2 ILE 11 HG21 ILE 11 0.930 3.864 5.522 79 2HG2 ILE 11 HG22 ILE 11 1.520 2.743 4.294 80 3HG2 ILE 11 HG23 ILE 11 1.641 4.483 4.032 81 1HD1 ILE 11 HD11 ILE 11 3.079 2.828 7.797 82 2HD1 ILE 11 HD12 ILE 11 4.573 1.917 7.579 83 3HD1 ILE 11 HD13 ILE 11 3.016 1.093 7.493 84 H SER 12 HN SER 12 2.834 5.387 2.520 85 HA SER 12 HA SER 12 3.292 8.150 3.355 86 1HB SER 12 HB2 SER 12 2.091 8.439 0.974 87 2HB SER 12 HB1 SER 12 3.812 8.103 1.108 88 HG SER 12 HG SER 12 3.065 6.607 -0.288 89 H ALA 13 HN ALA 13 1.574 9.687 3.398 90 HA ALA 13 HA ALA 13 -1.153 8.662 3.439 91 1HB ALA 13 HB1 ALA 13 -1.613 9.028 5.641 92 2HB ALA 13 HB2 ALA 13 -0.373 10.272 5.809 93 3HB ALA 13 HB3 ALA 13 0.084 8.569 5.774 94 H VAL 14 HN VAL 14 -2.144 10.005 2.085 95 HA VAL 14 HA VAL 14 -1.753 12.896 2.462 96 HB VAL 14 HB VAL 14 -0.712 12.721 0.439 97 1HG1 VAL 14 HG11 VAL 14 -2.527 10.405 -0.169 98 2HG1 VAL 14 HG12 VAL 14 -0.781 10.389 0.080 99 3HG1 VAL 14 HG13 VAL 14 -1.457 11.125 -1.374 100 1HG2 VAL 14 HG21 VAL 14 -3.588 12.845 -0.453 101 2HG2 VAL 14 HG22 VAL 14 -2.186 13.409 -1.362 102 3HG2 VAL 14 HG23 VAL 14 -2.637 14.204 0.145 103 H THR 15 HN THR 15 -3.555 14.214 1.874 104 HA THR 15 HA THR 15 -6.093 12.882 2.445 105 HB THR 15 HB THR 15 -5.329 15.804 2.398 106 HG1 THR 15 HG1 THR 15 -4.526 14.970 4.219 107 1HG2 THR 15 HG21 THR 15 -7.431 16.451 2.695 108 2HG2 THR 15 HG22 THR 15 -7.770 15.125 3.808 109 3HG2 THR 15 HG23 THR 15 -7.885 14.866 2.067 110 H CYS 16 HN CYS 16 -7.573 12.503 0.940 111 HA CYS 16 HA CYS 16 -7.122 13.485 -1.766 112 1HB CYS 16 HB2 CYS 16 -8.666 11.261 -0.537 113 2HB CYS 16 HB1 CYS 16 -9.267 11.915 -2.056 114 HA PRO 17 HA PRO 17 -10.170 16.675 -0.761 115 1HB PRO 17 HB2 PRO 17 -9.479 17.860 -3.327 116 2HB PRO 17 HB1 PRO 17 -9.247 18.496 -1.700 117 1HG PRO 17 HG2 PRO 17 -7.197 17.663 -3.291 118 2HG PRO 17 HG1 PRO 17 -7.139 17.638 -1.520 119 1HD PRO 17 HD2 PRO 17 -7.593 15.395 -3.436 120 2HD PRO 17 HD1 PRO 17 -6.717 15.409 -1.898 121 HA PRO 18 HA PRO 18 -12.674 16.274 -4.924 122 1HB PRO 18 HB2 PRO 18 -11.307 13.999 -6.239 123 2HB PRO 18 HB1 PRO 18 -11.939 15.492 -6.940 124 1HG PRO 18 HG2 PRO 18 -9.314 15.111 -6.660 125 2HG PRO 18 HG1 PRO 18 -10.045 16.707 -6.397 126 1HD PRO 18 HD2 PRO 18 -9.124 14.686 -4.391 127 2HD PRO 18 HD1 PRO 18 -8.959 16.453 -4.371 128 H GLY 19 HN GLY 19 -13.729 14.071 -6.099 129 1HA GLY 19 HA2 GLY 19 -15.054 12.787 -3.928 130 2HA GLY 19 HA1 GLY 19 -15.242 12.399 -5.633 131 H GLU 20 HN GLU 20 -12.200 12.073 -5.691 132 HA GLU 20 HA GLU 20 -12.199 9.244 -5.184 133 1HB GLU 20 HB2 GLU 20 -11.038 10.167 -7.134 134 2HB GLU 20 HB1 GLU 20 -10.004 11.123 -6.084 135 1HG GLU 20 HG2 GLU 20 -9.652 8.550 -5.162 136 2HG GLU 20 HG1 GLU 20 -9.773 8.356 -6.910 137 H ASN 21 HN ASN 21 -12.603 9.398 -2.854 138 HA ASN 21 HA ASN 21 -10.138 10.012 -1.348 139 1HB ASN 21 HB2 ASN 21 -12.771 9.978 0.052 140 2HB ASN 21 HB1 ASN 21 -11.332 10.929 0.396 141 1HD2 ASN 21 HD21 ASN 21 -14.028 10.586 -1.831 142 2HD2 ASN 21 HD22 ASN 21 -14.115 12.254 -2.272 143 H LEU 22 HN LEU 22 -11.778 7.531 -2.557 144 HA LEU 22 HA LEU 22 -12.090 5.883 -0.255 145 1HB LEU 22 HB2 LEU 22 -12.723 5.754 -3.046 146 2HB LEU 22 HB1 LEU 22 -11.941 4.263 -2.550 147 HG LEU 22 HG LEU 22 -13.602 4.143 -0.668 148 1HD1 LEU 22 HD11 LEU 22 -14.382 6.354 -0.491 149 2HD1 LEU 22 HD12 LEU 22 -15.737 5.418 -1.121 150 3HD1 LEU 22 HD13 LEU 22 -14.786 6.432 -2.206 151 1HD2 LEU 22 HD21 LEU 22 -14.224 2.608 -2.195 152 2HD2 LEU 22 HD22 LEU 22 -14.106 3.747 -3.537 153 3HD2 LEU 22 HD23 LEU 22 -15.539 3.741 -2.510 154 H CYS 23 HN CYS 23 -10.519 4.976 0.830 155 HA CYS 23 HA CYS 23 -7.902 4.631 -0.374 156 1HB CYS 23 HB2 CYS 23 -8.805 4.153 2.459 157 2HB CYS 23 HB1 CYS 23 -7.143 4.146 1.887 158 H TYR 24 HN TYR 24 -8.064 2.904 -1.727 159 HA TYR 24 HA TYR 24 -9.265 0.453 -0.821 160 1HB TYR 24 HB2 TYR 24 -8.783 -0.407 -3.015 161 2HB TYR 24 HB1 TYR 24 -9.411 1.227 -3.186 162 HD1 TYR 24 HD1 TYR 24 -6.507 -0.937 -3.598 163 HD2 TYR 24 HD2 TYR 24 -7.939 3.061 -3.861 164 HE1 TYR 24 HE1 TYR 24 -4.530 -0.323 -4.906 165 HE2 TYR 24 HE2 TYR 24 -5.964 3.685 -5.177 166 HH TYR 24 HH TYR 24 -3.275 2.225 -5.271 167 H ARG 25 HN ARG 25 -8.229 -1.515 -0.570 168 HA ARG 25 HA ARG 25 -5.376 -1.320 0.127 169 1HB ARG 25 HB2 ARG 25 -7.605 -2.151 1.654 170 2HB ARG 25 HB1 ARG 25 -6.684 -3.603 1.294 171 1HG ARG 25 HG2 ARG 25 -4.721 -1.869 2.046 172 2HG ARG 25 HG1 ARG 25 -6.069 -1.378 3.075 173 1HD ARG 25 HD2 ARG 25 -5.386 -3.046 4.409 174 2HD ARG 25 HD1 ARG 25 -6.211 -4.085 3.253 175 HE ARG 25 HE ARG 25 -3.437 -3.500 2.649 176 1HH1 ARG 25 HH11 ARG 25 -5.699 -5.683 4.183 177 2HH1 ARG 25 HH12 ARG 25 -4.627 -7.039 4.111 178 1HH2 ARG 25 HH21 ARG 25 -2.035 -5.298 2.557 179 2HH2 ARG 25 HH22 ARG 25 -2.555 -6.818 3.197 180 H LYS 26 HN LYS 26 -4.816 -1.834 -2.074 181 HA LYS 26 HA LYS 26 -5.731 -4.204 -3.339 182 1HB LYS 26 HB2 LYS 26 -4.848 -2.308 -4.595 183 2HB LYS 26 HB1 LYS 26 -3.274 -2.528 -3.851 184 1HG LYS 26 HG2 LYS 26 -2.900 -3.573 -5.817 185 2HG LYS 26 HG1 LYS 26 -3.521 -4.943 -4.896 186 1HD LYS 26 HD2 LYS 26 -5.419 -3.207 -6.405 187 2HD LYS 26 HD1 LYS 26 -4.457 -4.399 -7.283 188 1HE LYS 26 HE2 LYS 26 -5.295 -6.103 -5.608 189 2HE LYS 26 HE1 LYS 26 -6.440 -4.875 -5.070 190 1HZ LYS 26 HZ1 LYS 26 -6.237 -5.808 -7.878 191 2HZ LYS 26 HZ2 LYS 26 -7.442 -4.828 -7.208 192 3HZ LYS 26 HZ3 LYS 26 -7.325 -6.454 -6.755 193 H MET 27 HN MET 27 -5.359 -6.161 -2.554 194 HA MET 27 HA MET 27 -2.645 -6.798 -1.603 195 1HB MET 27 HB2 MET 27 -4.810 -6.677 0.015 196 2HB MET 27 HB1 MET 27 -4.912 -8.352 -0.507 197 1HG MET 27 HG2 MET 27 -2.276 -7.402 0.428 198 2HG MET 27 HG1 MET 27 -3.544 -7.570 1.636 199 1HE MET 27 HE1 MET 27 -3.457 -9.091 2.967 200 2HE MET 27 HE2 MET 27 -2.461 -10.544 2.895 201 3HE MET 27 HE3 MET 27 -4.177 -10.631 2.500 202 H TRP 28 HN TRP 28 -1.697 -8.247 -2.919 203 HA TRP 28 HA TRP 28 -3.360 -10.473 -3.886 204 1HB TRP 28 HB2 TRP 28 -2.510 -10.436 -6.098 205 2HB TRP 28 HB1 TRP 28 -3.117 -8.832 -5.737 206 HD1 TRP 28 HD1 TRP 28 0.232 -10.701 -6.114 207 HE1 TRP 28 HE1 TRP 28 2.003 -9.008 -6.906 208 HE3 TRP 28 HE3 TRP 28 -2.579 -6.473 -5.890 209 HZ2 TRP 28 HZ2 TRP 28 2.168 -6.218 -7.374 210 HZ3 TRP 28 HZ3 TRP 28 -1.553 -4.327 -6.535 211 HH2 TRP 28 HH2 TRP 28 0.769 -4.203 -7.257 212 H CYS 29 HN CYS 29 -1.243 -11.775 -5.357 213 HA CYS 29 HA CYS 29 0.322 -12.615 -3.019 214 1HB CYS 29 HB2 CYS 29 0.040 -14.755 -3.615 215 2HB CYS 29 HB1 CYS 29 -1.240 -14.139 -4.647 216 H ASP 30 HN ASP 30 2.349 -12.126 -2.849 217 HA ASP 30 HA ASP 30 4.053 -12.106 -5.213 218 1HB ASP 30 HB2 ASP 30 3.515 -9.780 -4.990 219 2HB ASP 30 HB1 ASP 30 3.858 -9.804 -3.265 220 H ALA 31 HN ALA 31 4.791 -14.048 -4.408 221 HA ALA 31 HA ALA 31 6.643 -15.118 -3.535 222 1HB ALA 31 HB1 ALA 31 8.170 -14.069 -2.310 223 2HB ALA 31 HB2 ALA 31 6.978 -13.495 -1.149 224 3HB ALA 31 HB3 ALA 31 7.225 -12.626 -2.660 225 H PHE 32 HN PHE 32 3.879 -14.060 -1.579 226 HA PHE 32 HA PHE 32 4.303 -16.043 0.440 227 1HB PHE 32 HB2 PHE 32 2.567 -14.004 0.346 228 2HB PHE 32 HB1 PHE 32 1.509 -15.270 -0.248 229 HD1 PHE 32 HD1 PHE 32 4.215 -15.510 2.267 230 HD2 PHE 32 HD2 PHE 32 0.028 -15.624 1.524 231 HE1 PHE 32 HE1 PHE 32 3.826 -16.258 4.584 232 HE2 PHE 32 HE2 PHE 32 -0.370 -16.367 3.834 233 HZ PHE 32 HZ PHE 32 1.531 -16.686 5.368 234 H CYS 33 HN CYS 33 2.693 -15.854 -2.630 235 HA CYS 33 HA CYS 33 1.670 -18.517 -2.565 236 1HB CYS 33 HB2 CYS 33 1.459 -18.097 -5.103 237 2HB CYS 33 HB1 CYS 33 0.513 -17.060 -4.041 238 H SER 34 HN SER 34 4.561 -16.865 -3.533 239 HA SER 34 HA SER 34 5.769 -19.280 -4.611 240 1HB SER 34 HB2 SER 34 6.675 -17.728 -5.963 241 2HB SER 34 HB1 SER 34 6.233 -16.411 -4.880 242 HG SER 34 HG SER 34 8.398 -16.403 -4.817 243 H SER 35 HN SER 35 7.185 -16.780 -2.477 244 HA SER 35 HA SER 35 7.857 -18.868 -0.539 245 1HB SER 35 HB2 SER 35 10.223 -17.863 -0.451 246 2HB SER 35 HB1 SER 35 9.816 -18.927 -1.798 247 HG SER 35 HG SER 35 10.807 -16.584 -2.026 248 H ARG 36 HN ARG 36 8.233 -15.317 -1.080 249 HA ARG 36 HA ARG 36 8.513 -14.880 1.730 250 1HB ARG 36 HB2 ARG 36 9.799 -13.365 0.630 251 2HB ARG 36 HB1 ARG 36 8.638 -13.103 -0.646 252 1HG ARG 36 HG2 ARG 36 7.651 -11.391 0.431 253 2HG ARG 36 HG1 ARG 36 7.783 -12.172 2.007 254 1HD ARG 36 HD2 ARG 36 10.366 -11.392 0.910 255 2HD ARG 36 HD1 ARG 36 9.272 -10.025 1.118 256 HE ARG 36 HE ARG 36 9.270 -10.389 3.424 257 1HH1 ARG 36 HH11 ARG 36 11.251 -12.756 1.778 258 2HH1 ARG 36 HH12 ARG 36 12.039 -13.276 3.227 259 1HH2 ARG 36 HH21 ARG 36 10.312 -11.079 5.320 260 2HH2 ARG 36 HH22 ARG 36 11.508 -12.329 5.234 261 H GLY 37 HN GLY 37 6.240 -12.708 -0.056 262 1HA GLY 37 HA2 GLY 37 4.098 -13.709 1.671 263 2HA GLY 37 HA1 GLY 37 4.655 -12.084 1.990 264 H LYS 38 HN LYS 38 2.378 -11.565 1.604 265 HA LYS 38 HA LYS 38 1.506 -11.730 -1.164 266 1HB LYS 38 HB2 LYS 38 0.225 -11.412 1.419 267 2HB LYS 38 HB1 LYS 38 -0.369 -10.235 0.259 268 1HG LYS 38 HG2 LYS 38 -1.785 -11.852 -0.340 269 2HG LYS 38 HG1 LYS 38 -0.406 -12.521 -1.213 270 1HD LYS 38 HD2 LYS 38 -0.230 -14.267 0.173 271 2HD LYS 38 HD1 LYS 38 -0.463 -13.267 1.607 272 1HE LYS 38 HE2 LYS 38 -2.934 -13.372 0.225 273 2HE LYS 38 HE1 LYS 38 -2.310 -15.018 0.325 274 1HZ LYS 38 HZ1 LYS 38 -3.281 -14.953 2.334 275 2HZ LYS 38 HZ2 LYS 38 -3.253 -13.265 2.433 276 3HZ LYS 38 HZ3 LYS 38 -1.864 -14.156 2.806 277 H VAL 39 HN VAL 39 0.303 -9.598 -1.888 278 HA VAL 39 HA VAL 39 2.333 -7.495 -1.757 279 HB VAL 39 HB VAL 39 0.284 -8.276 -3.750 280 1HG1 VAL 39 HG11 VAL 39 0.645 -5.968 -4.817 281 2HG1 VAL 39 HG12 VAL 39 1.116 -5.443 -3.211 282 3HG1 VAL 39 HG13 VAL 39 -0.501 -6.089 -3.491 283 1HG2 VAL 39 HG21 VAL 39 3.150 -7.919 -3.584 284 2HG2 VAL 39 HG22 VAL 39 2.467 -7.092 -4.984 285 3HG2 VAL 39 HG23 VAL 39 2.187 -8.816 -4.754 286 H VAL 40 HN VAL 40 1.926 -5.459 -1.217 287 HA VAL 40 HA VAL 40 -0.743 -4.743 -0.228 288 HB VAL 40 HB VAL 40 1.806 -3.868 1.105 289 1HG1 VAL 40 HG11 VAL 40 0.519 -2.783 2.638 290 2HG1 VAL 40 HG12 VAL 40 -0.839 -3.888 2.438 291 3HG1 VAL 40 HG13 VAL 40 -0.528 -2.649 1.225 292 1HG2 VAL 40 HG21 VAL 40 0.307 -6.355 1.412 293 2HG2 VAL 40 HG22 VAL 40 0.624 -5.502 2.923 294 3HG2 VAL 40 HG23 VAL 40 1.963 -5.969 1.876 295 H GLU 41 HN GLU 41 -1.351 -3.347 -1.749 296 HA GLU 41 HA GLU 41 0.440 -1.102 -2.377 297 1HB GLU 41 HB2 GLU 41 0.244 -2.510 -4.331 298 2HB GLU 41 HB1 GLU 41 -1.504 -2.553 -4.180 299 1HG GLU 41 HG2 GLU 41 -0.579 -1.062 -5.972 300 2HG GLU 41 HG1 GLU 41 -1.725 -0.316 -4.858 301 H LEU 42 HN LEU 42 -0.427 0.233 -0.809 302 HA LEU 42 HA LEU 42 -3.250 0.655 -0.523 303 1HB LEU 42 HB2 LEU 42 -0.984 2.364 0.497 304 2HB LEU 42 HB1 LEU 42 -2.631 2.367 1.075 305 HG LEU 42 HG LEU 42 -0.548 0.253 1.455 306 1HD1 LEU 42 HD11 LEU 42 -1.934 1.007 3.816 307 2HD1 LEU 42 HD12 LEU 42 -1.368 2.457 2.988 308 3HD1 LEU 42 HD13 LEU 42 -0.225 1.188 3.423 309 1HD2 LEU 42 HD21 LEU 42 -2.443 -1.055 1.040 310 2HD2 LEU 42 HD22 LEU 42 -3.513 0.087 1.853 311 3HD2 LEU 42 HD23 LEU 42 -2.399 -0.903 2.799 312 H GLY 43 HN GLY 43 -4.494 2.381 -1.277 313 1HA GLY 43 HA2 GLY 43 -3.232 4.577 -2.666 314 2HA GLY 43 HA1 GLY 43 -4.047 3.455 -3.736 315 H CYS 44 HN CYS 44 -4.920 5.885 -3.919 316 HA CYS 44 HA CYS 44 -7.464 5.955 -2.432 317 1HB CYS 44 HB2 CYS 44 -5.817 7.741 -1.740 318 2HB CYS 44 HB1 CYS 44 -5.898 8.368 -3.379 319 H ALA 45 HN ALA 45 -9.028 5.412 -3.879 320 HA ALA 45 HA ALA 45 -8.876 6.646 -6.548 321 1HB ALA 45 HB1 ALA 45 -8.413 4.450 -7.067 322 2HB ALA 45 HB2 ALA 45 -10.166 4.501 -7.251 323 3HB ALA 45 HB3 ALA 45 -9.453 3.818 -5.790 324 H ALA 46 HN ALA 46 -11.070 6.476 -7.678 325 HA ALA 46 HA ALA 46 -13.214 7.139 -5.770 326 1HB ALA 46 HB1 ALA 46 -13.367 9.138 -6.735 327 2HB ALA 46 HB2 ALA 46 -13.762 8.352 -8.263 328 3HB ALA 46 HB3 ALA 46 -12.084 8.717 -7.869 329 H THR 47 HN THR 47 -12.150 5.253 -8.420 330 HA THR 47 HA THR 47 -14.848 4.167 -8.765 331 HB THR 47 HB THR 47 -14.109 5.447 -10.747 332 HG1 THR 47 HG1 THR 47 -14.134 2.659 -11.255 333 1HG2 THR 47 HG21 THR 47 -11.990 5.365 -11.370 334 2HG2 THR 47 HG22 THR 47 -12.294 3.729 -11.957 335 3HG2 THR 47 HG23 THR 47 -11.678 3.980 -10.321 336 H CYS 48 HN CYS 48 -13.563 3.002 -6.839 337 HA CYS 48 HA CYS 48 -11.612 1.171 -7.036 338 1HB CYS 48 HB2 CYS 48 -12.901 1.488 -5.000 339 2HB CYS 48 HB1 CYS 48 -14.313 0.748 -5.744 340 HA PRO 49 HA PRO 49 -13.060 -1.489 -10.363 341 1HB PRO 49 HB2 PRO 49 -10.756 -2.759 -10.823 342 2HB PRO 49 HB1 PRO 49 -10.968 -1.056 -11.249 343 1HG PRO 49 HG2 PRO 49 -9.593 -2.260 -8.879 344 2HG PRO 49 HG1 PRO 49 -9.083 -0.901 -9.897 345 1HD PRO 49 HD2 PRO 49 -10.328 -0.633 -7.455 346 2HD PRO 49 HD1 PRO 49 -10.354 0.598 -8.732 347 H SER 50 HN SER 50 -12.245 -3.990 -10.826 348 HA SER 50 HA SER 50 -13.764 -5.599 -9.185 349 1HB SER 50 HB2 SER 50 -11.385 -6.807 -10.525 350 2HB SER 50 HB1 SER 50 -13.056 -7.366 -10.485 351 HG SER 50 HG SER 50 -13.592 -5.759 -11.962 352 H LYS 51 HN LYS 51 -13.513 -6.554 -7.281 353 HA LYS 51 HA LYS 51 -11.020 -6.167 -5.849 354 1HB LYS 51 HB2 LYS 51 -12.452 -7.092 -3.909 355 2HB LYS 51 HB1 LYS 51 -12.788 -5.483 -4.527 356 1HG LYS 51 HG2 LYS 51 -14.845 -6.040 -5.187 357 2HG LYS 51 HG1 LYS 51 -14.305 -7.567 -5.887 358 1HD LYS 51 HD2 LYS 51 -14.913 -8.732 -4.081 359 2HD LYS 51 HD1 LYS 51 -14.204 -7.554 -2.976 360 1HE LYS 51 HE2 LYS 51 -16.623 -6.604 -4.313 361 2HE LYS 51 HE1 LYS 51 -16.887 -8.028 -3.307 362 1HZ LYS 51 HZ1 LYS 51 -16.988 -5.609 -2.321 363 2HZ LYS 51 HZ2 LYS 51 -15.318 -5.831 -2.180 364 3HZ LYS 51 HZ3 LYS 51 -16.381 -6.901 -1.415 365 H LYS 52 HN LYS 52 -12.769 -8.756 -4.649 366 HA LYS 52 HA LYS 52 -10.837 -10.579 -4.416 367 1HB LYS 52 HB2 LYS 52 -13.069 -10.840 -3.481 368 2HB LYS 52 HB1 LYS 52 -13.701 -11.221 -5.076 369 1HG LYS 52 HG2 LYS 52 -13.349 -13.220 -3.691 370 2HG LYS 52 HG1 LYS 52 -12.384 -13.237 -5.168 371 1HD LYS 52 HD2 LYS 52 -10.956 -11.985 -2.983 372 2HD LYS 52 HD1 LYS 52 -11.470 -13.620 -2.565 373 1HE LYS 52 HE2 LYS 52 -10.523 -13.919 -5.127 374 2HE LYS 52 HE1 LYS 52 -9.428 -12.716 -4.448 375 1HZ LYS 52 HZ1 LYS 52 -8.929 -14.200 -2.638 376 2HZ LYS 52 HZ2 LYS 52 -8.654 -14.999 -4.103 377 3HZ LYS 52 HZ3 LYS 52 -10.045 -15.340 -3.203 378 HA PRO 53 HA PRO 53 -12.496 -12.241 -9.070 379 1HB PRO 53 HB2 PRO 53 -11.036 -9.758 -9.871 380 2HB PRO 53 HB1 PRO 53 -12.356 -10.597 -10.691 381 1HG PRO 53 HG2 PRO 53 -12.596 -8.398 -8.929 382 2HG PRO 53 HG1 PRO 53 -13.914 -9.400 -9.556 383 1HD PRO 53 HD2 PRO 53 -13.165 -9.226 -6.884 384 2HD PRO 53 HD1 PRO 53 -14.110 -10.545 -7.589 385 H TYR 54 HN TYR 54 -9.575 -10.506 -8.001 386 HA TYR 54 HA TYR 54 -8.021 -12.904 -8.599 387 1HB TYR 54 HB2 TYR 54 -7.914 -11.069 -10.475 388 2HB TYR 54 HB1 TYR 54 -6.830 -10.262 -9.347 389 HD1 TYR 54 HD1 TYR 54 -6.725 -12.067 -12.174 390 HD2 TYR 54 HD2 TYR 54 -5.179 -12.286 -8.208 391 HE1 TYR 54 HE1 TYR 54 -4.868 -13.464 -12.978 392 HE2 TYR 54 HE2 TYR 54 -3.322 -13.683 -9.009 393 HH TYR 54 HH TYR 54 -2.135 -14.187 -11.036 394 H GLU 55 HN GLU 55 -8.061 -9.667 -7.158 395 HA GLU 55 HA GLU 55 -6.306 -10.697 -5.025 396 1HB GLU 55 HB2 GLU 55 -6.357 -7.775 -5.616 397 2HB GLU 55 HB1 GLU 55 -5.061 -8.761 -4.964 398 1HG GLU 55 HG2 GLU 55 -5.929 -8.563 -7.833 399 2HG GLU 55 HG1 GLU 55 -4.417 -8.001 -7.122 400 H GLU 56 HN GLU 56 -6.492 -9.324 -2.994 401 HA GLU 56 HA GLU 56 -9.343 -8.883 -2.456 402 1HB GLU 56 HB2 GLU 56 -7.816 -10.495 -1.086 403 2HB GLU 56 HB1 GLU 56 -7.220 -9.020 -0.337 404 1HG GLU 56 HG2 GLU 56 -8.875 -9.399 1.123 405 2HG GLU 56 HG1 GLU 56 -9.874 -8.630 -0.110 406 H VAL 57 HN VAL 57 -9.745 -6.797 -3.018 407 HA VAL 57 HA VAL 57 -7.962 -4.734 -1.936 408 HB VAL 57 HB VAL 57 -8.350 -4.743 -4.407 409 1HG1 VAL 57 HG11 VAL 57 -10.880 -5.295 -3.965 410 2HG1 VAL 57 HG12 VAL 57 -10.390 -4.348 -5.370 411 3HG1 VAL 57 HG13 VAL 57 -11.032 -3.539 -3.940 412 1HG2 VAL 57 HG21 VAL 57 -7.535 -2.734 -3.565 413 2HG2 VAL 57 HG22 VAL 57 -9.027 -2.382 -2.691 414 3HG2 VAL 57 HG23 VAL 57 -8.980 -2.246 -4.450 415 H THR 58 HN THR 58 -8.608 -3.712 -0.176 416 HA THR 58 HA THR 58 -11.452 -3.714 0.512 417 HB THR 58 HB THR 58 -9.860 -2.454 2.520 418 HG1 THR 58 HG1 THR 58 -8.885 -5.001 1.751 419 1HG2 THR 58 HG21 THR 58 -10.617 -4.199 3.945 420 2HG2 THR 58 HG22 THR 58 -11.008 -5.228 2.566 421 3HG2 THR 58 HG23 THR 58 -11.943 -3.762 2.866 422 H CYS 59 HN CYS 59 -12.293 -2.124 -0.772 423 HA CYS 59 HA CYS 59 -11.075 0.505 -0.810 424 1HB CYS 59 HB2 CYS 59 -13.483 -0.652 -2.208 425 2HB CYS 59 HB1 CYS 59 -12.999 1.035 -2.359 426 H CYS 60 HN CYS 60 -11.341 1.635 0.976 427 HA CYS 60 HA CYS 60 -14.057 1.905 2.084 428 1HB CYS 60 HB2 CYS 60 -12.883 2.440 4.247 429 2HB CYS 60 HB1 CYS 60 -12.693 0.781 3.686 430 H SER 61 HN SER 61 -14.256 4.073 3.363 431 HA SER 61 HA SER 61 -12.877 6.189 1.844 432 1HB SER 61 HB2 SER 61 -15.326 5.672 1.187 433 2HB SER 61 HB1 SER 61 -15.741 6.482 2.697 434 HG SER 61 HG SER 61 -15.363 8.314 1.759 435 H THR 62 HN THR 62 -12.063 5.343 4.441 436 HA THR 62 HA THR 62 -12.812 7.711 6.019 437 HB THR 62 HB THR 62 -12.032 6.182 7.982 438 HG1 THR 62 HG1 THR 62 -12.877 4.283 6.054 439 1HG2 THR 62 HG21 THR 62 -14.286 5.354 8.333 440 2HG2 THR 62 HG22 THR 62 -14.694 5.742 6.662 441 3HG2 THR 62 HG23 THR 62 -14.297 7.033 7.796 442 H ASP 63 HN ASP 63 -11.159 8.685 7.296 443 HA ASP 63 HA ASP 63 -8.827 9.290 6.126 444 1HB ASP 63 HB2 ASP 63 -9.307 9.017 9.096 445 2HB ASP 63 HB1 ASP 63 -7.937 9.864 8.383 446 H LYS 64 HN LYS 64 -7.187 8.208 5.429 447 HA LYS 64 HA LYS 64 -5.815 6.379 5.023 448 1HB LYS 64 HB2 LYS 64 -4.600 6.052 7.520 449 2HB LYS 64 HB1 LYS 64 -4.067 7.093 6.211 450 1HG LYS 64 HG2 LYS 64 -4.137 8.580 7.937 451 2HG LYS 64 HG1 LYS 64 -5.761 8.785 7.282 452 1HD LYS 64 HD2 LYS 64 -6.726 7.979 9.138 453 2HD LYS 64 HD1 LYS 64 -5.571 6.650 9.265 454 1HE LYS 64 HE2 LYS 64 -4.723 9.434 9.936 455 2HE LYS 64 HE1 LYS 64 -5.655 8.498 11.103 456 1HZ LYS 64 HZ1 LYS 64 -3.971 6.954 11.335 457 2HZ LYS 64 HZ2 LYS 64 -3.101 8.396 11.178 458 3HZ LYS 64 HZ3 LYS 64 -3.244 7.347 9.859 459 H CYS 65 HN CYS 65 -8.128 5.255 5.211 460 HA CYS 65 HA CYS 65 -8.207 3.245 7.297 461 1HB CYS 65 HB2 CYS 65 -10.385 2.674 6.406 462 2HB CYS 65 HB1 CYS 65 -10.252 4.415 6.641 463 H ASN 66 HN ASN 66 -6.229 3.236 4.863 464 HA ASN 66 HA ASN 66 -6.991 0.592 3.855 465 1HB ASN 66 HB2 ASN 66 -5.749 1.002 1.894 466 2HB ASN 66 HB1 ASN 66 -6.629 2.485 2.223 467 1HD2 ASN 66 HD21 ASN 66 -5.188 3.660 0.966 468 2HD2 ASN 66 HD22 ASN 66 -3.591 4.017 1.505 469 HA PRO 67 HA PRO 67 -2.531 0.698 6.229 470 1HB PRO 67 HB2 PRO 67 -4.476 -0.325 8.278 471 2HB PRO 67 HB1 PRO 67 -2.864 0.360 8.528 472 1HG PRO 67 HG2 PRO 67 -4.943 1.885 8.894 473 2HG PRO 67 HG1 PRO 67 -3.561 2.495 7.966 474 1HD PRO 67 HD2 PRO 67 -6.237 1.602 7.000 475 2HD PRO 67 HD1 PRO 67 -5.172 2.869 6.357 476 H HIS 68 HN HIS 68 -1.467 -1.297 6.619 477 HA HIS 68 HA HIS 68 -3.060 -3.604 5.752 478 1HB HIS 68 HB2 HIS 68 -1.225 -4.578 4.585 479 2HB HIS 68 HB1 HIS 68 -1.477 -2.937 4.019 480 HD1 HIS 68 HD1 HIS 68 0.328 -1.142 4.933 481 HD2 HIS 68 HD2 HIS 68 1.305 -5.164 5.307 482 HE1 HIS 68 HE1 HIS 68 2.822 -1.220 5.133 483 HE2 HIS 68 HE2 HIS 68 3.390 -3.657 5.114 484 HA PRO 69 HA PRO 69 -2.950 -5.675 9.561 485 1HB PRO 69 HB2 PRO 69 -2.060 -8.063 8.151 486 2HB PRO 69 HB1 PRO 69 -3.591 -7.734 8.961 487 1HG PRO 69 HG2 PRO 69 -2.894 -7.480 6.136 488 2HG PRO 69 HG1 PRO 69 -4.495 -7.510 6.897 489 1HD PRO 69 HD2 PRO 69 -3.491 -5.289 5.763 490 2HD PRO 69 HD1 PRO 69 -4.522 -5.215 7.209 491 H LYS 70 HN LYS 70 -0.314 -7.225 7.709 492 HA LYS 70 HA LYS 70 1.095 -7.799 10.056 493 1HB LYS 70 HB2 LYS 70 1.720 -8.026 7.155 494 2HB LYS 70 HB1 LYS 70 2.973 -8.347 8.349 495 1HG LYS 70 HG2 LYS 70 0.318 -9.748 8.112 496 2HG LYS 70 HG1 LYS 70 1.900 -10.409 7.714 497 1HD LYS 70 HD2 LYS 70 0.836 -9.678 10.432 498 2HD LYS 70 HD1 LYS 70 1.298 -11.274 9.844 499 1HE LYS 70 HE2 LYS 70 3.624 -10.567 9.703 500 2HE LYS 70 HE1 LYS 70 3.177 -8.947 10.238 501 1HZ LYS 70 HZ1 LYS 70 2.176 -10.362 12.226 502 2HZ LYS 70 HZ2 LYS 70 3.777 -9.818 12.222 503 3HZ LYS 70 HZ3 LYS 70 3.425 -11.411 11.777 504 H GLN 71 HN GLN 71 1.256 -4.830 8.272 505 HA GLN 71 HA GLN 71 3.639 -4.205 9.882 506 1HB GLN 71 HB2 GLN 71 3.403 -2.938 7.207 507 2HB GLN 71 HB1 GLN 71 4.837 -3.315 8.151 508 1HG GLN 71 HG2 GLN 71 4.285 -5.751 7.738 509 2HG GLN 71 HG1 GLN 71 3.136 -5.172 6.537 510 1HE2 GLN 71 HE21 GLN 71 6.392 -4.034 7.369 511 2HE2 GLN 71 HE22 GLN 71 7.065 -4.268 5.797 512 H ARG 72 HN ARG 72 0.561 -3.431 9.525 513 HA ARG 72 HA ARG 72 1.072 -0.596 10.158 514 1HB ARG 72 HB2 ARG 72 -0.936 -1.807 8.437 515 2HB ARG 72 HB1 ARG 72 -1.638 -0.722 9.622 516 1HG ARG 72 HG2 ARG 72 0.555 -0.038 7.676 517 2HG ARG 72 HG1 ARG 72 -1.138 0.437 7.547 518 1HD ARG 72 HD2 ARG 72 0.797 1.248 9.714 519 2HD ARG 72 HD1 ARG 72 0.186 2.273 8.418 520 HE ARG 72 HE ARG 72 -1.882 1.146 10.064 521 1HH1 ARG 72 HH11 ARG 72 0.382 3.780 9.723 522 2HH1 ARG 72 HH12 ARG 72 -0.542 4.866 10.708 523 1HH2 ARG 72 HH21 ARG 72 -3.097 2.571 11.357 524 2HH2 ARG 72 HH22 ARG 72 -2.517 4.179 11.635 525 HA PRO 73 HA PRO 73 -2.122 -1.682 13.470 526 1HB PRO 73 HB2 PRO 73 -3.646 -3.883 13.342 527 2HB PRO 73 HB1 PRO 73 -4.037 -2.435 12.407 528 1HG PRO 73 HG2 PRO 73 -2.683 -4.952 11.522 529 2HG PRO 73 HG1 PRO 73 -3.934 -4.005 10.696 530 1HD PRO 73 HD2 PRO 73 -1.263 -3.846 10.109 531 2HD PRO 73 HD1 PRO 73 -2.417 -2.527 9.835 532 H GLY 74 HN GLY 74 0.431 -2.379 13.740 533 1HA GLY 74 HA2 GLY 74 0.799 -5.085 14.623 534 2HA GLY 74 HA1 GLY 74 1.949 -3.768 14.792 535 1H GLU 180 HT1 GLU 180 20.678 13.252 -1.841 536 2H GLU 180 HT2 GLU 180 19.245 12.402 -1.424 537 3H GLU 180 HT3 GLU 180 19.903 13.562 -0.344 538 HA GLU 180 HA GLU 180 19.588 15.206 -2.192 539 1HB GLU 180 HB2 GLU 180 17.902 12.871 -3.105 540 2HB GLU 180 HB1 GLU 180 17.663 14.513 -3.685 541 1HG GLU 180 HG2 GLU 180 19.070 13.944 -5.311 542 2HG GLU 180 HG1 GLU 180 20.332 14.158 -4.100 543 H GLU 181 HN GLU 181 17.084 15.991 -2.510 544 HA GLU 181 HA GLU 181 16.146 16.302 0.202 545 1HB GLU 181 HB2 GLU 181 16.268 18.167 -1.497 546 2HB GLU 181 HB1 GLU 181 14.904 17.415 -2.312 547 1HG GLU 181 HG2 GLU 181 14.118 17.621 0.347 548 2HG GLU 181 HG1 GLU 181 14.951 19.135 -0.001 549 H ARG 182 HN ARG 182 15.549 14.083 -2.235 550 HA ARG 182 HA ARG 182 14.001 12.444 -2.520 551 1HB ARG 182 HB2 ARG 182 13.399 13.277 0.307 552 2HB ARG 182 HB1 ARG 182 12.452 12.034 -0.496 553 1HG ARG 182 HG2 ARG 182 14.038 10.804 0.637 554 2HG ARG 182 HG1 ARG 182 14.741 10.934 -0.975 555 1HD ARG 182 HD2 ARG 182 15.965 12.989 -0.091 556 2HD ARG 182 HD1 ARG 182 15.482 12.442 1.514 557 HE ARG 182 HE ARG 182 17.152 10.903 1.408 558 1HH1 ARG 182 HH11 ARG 182 16.295 11.791 -1.856 559 2HH1 ARG 182 HH12 ARG 182 17.535 10.822 -2.579 560 1HH2 ARG 182 HH21 ARG 182 18.784 9.626 0.459 561 2HH2 ARG 182 HH22 ARG 182 18.947 9.593 -1.265 562 H GLY 183 HN GLY 183 12.305 12.528 -3.848 563 1HA GLY 183 HA2 GLY 183 10.141 14.425 -3.253 564 2HA GLY 183 HA1 GLY 183 10.911 14.481 -4.830 565 H TRP 184 HN TRP 184 11.209 11.764 -5.363 566 HA TRP 184 HA TRP 184 8.574 11.141 -6.232 567 1HB TRP 184 HB2 TRP 184 9.639 8.980 -7.000 568 2HB TRP 184 HB1 TRP 184 10.292 10.463 -7.673 569 HD1 TRP 184 HD1 TRP 184 12.323 8.635 -8.218 570 HE1 TRP 184 HE1 TRP 184 14.452 8.170 -6.869 571 HE3 TRP 184 HE3 TRP 184 10.874 10.483 -3.636 572 HZ2 TRP 184 HZ2 TRP 184 15.394 8.531 -4.252 573 HZ3 TRP 184 HZ3 TRP 184 12.462 10.363 -1.783 574 HH2 TRP 184 HH2 TRP 184 14.682 9.403 -2.084 575 H LYS 185 HN LYS 185 7.758 8.785 -5.976 576 HA LYS 185 HA LYS 185 8.126 7.842 -3.241 577 1HB LYS 185 HB2 LYS 185 5.927 9.406 -4.002 578 2HB LYS 185 HB1 LYS 185 5.319 7.765 -3.896 579 1HG LYS 185 HG2 LYS 185 5.470 7.726 -1.675 580 2HG LYS 185 HG1 LYS 185 7.031 8.533 -1.676 581 1HD LYS 185 HD2 LYS 185 5.196 9.772 -0.551 582 2HD LYS 185 HD1 LYS 185 6.018 10.659 -1.837 583 1HE LYS 185 HE2 LYS 185 4.087 9.717 -3.325 584 2HE LYS 185 HE1 LYS 185 3.263 9.493 -1.784 585 1HZ LYS 185 HZ1 LYS 185 3.582 11.854 -1.328 586 2HZ LYS 185 HZ2 LYS 185 2.704 11.618 -2.754 587 3HZ LYS 185 HZ3 LYS 185 4.335 12.056 -2.829 588 H HIS 186 HN HIS 186 8.777 5.762 -3.526 589 HA HIS 186 HA HIS 186 7.006 4.054 -5.120 590 1HB HIS 186 HB2 HIS 186 9.122 4.773 -6.407 591 2HB HIS 186 HB1 HIS 186 9.984 3.702 -5.318 592 HD1 HIS 186 HD1 HIS 186 9.775 3.230 -8.402 593 HD2 HIS 186 HD2 HIS 186 7.373 1.425 -5.532 594 HE1 HIS 186 HE1 HIS 186 8.923 1.120 -9.470 595 HE2 HIS 186 HE2 HIS 186 7.396 0.093 -7.748 596 H TRP 187 HN TRP 187 6.395 2.314 -4.002 597 HA TRP 187 HA TRP 187 8.154 1.203 -1.903 598 1HB TRP 187 HB2 TRP 187 5.619 2.538 -1.526 599 2HB TRP 187 HB1 TRP 187 5.531 0.890 -0.958 600 HD1 TRP 187 HD1 TRP 187 6.622 4.278 0.042 601 HE1 TRP 187 HE1 TRP 187 7.783 4.234 2.314 602 HE3 TRP 187 HE3 TRP 187 7.231 -0.776 0.577 603 HZ2 TRP 187 HZ2 TRP 187 8.799 2.341 4.110 604 HZ3 TRP 187 HZ3 TRP 187 8.306 -1.600 2.597 605 HH2 TRP 187 HH2 TRP 187 9.065 -0.073 4.348 606 H VAL 188 HN VAL 188 7.091 -0.798 -1.033 607 HA VAL 188 HA VAL 188 5.366 -2.352 -2.670 608 HB VAL 188 HB VAL 188 8.010 -3.694 -2.301 609 1HG1 VAL 188 HG11 VAL 188 5.602 -4.438 -3.319 610 2HG1 VAL 188 HG12 VAL 188 7.140 -5.224 -3.670 611 3HG1 VAL 188 HG13 VAL 188 6.495 -4.017 -4.781 612 1HG2 VAL 188 HG21 VAL 188 7.455 -1.914 -4.674 613 2HG2 VAL 188 HG22 VAL 188 8.877 -2.924 -4.415 614 3HG2 VAL 188 HG23 VAL 188 8.582 -1.533 -3.372 615 H TYR 189 HN TYR 189 4.136 -2.642 -0.784 616 HA TYR 189 HA TYR 189 5.573 -3.745 1.521 617 1HB TYR 189 HB2 TYR 189 3.042 -2.232 1.175 618 2HB TYR 189 HB1 TYR 189 3.090 -3.412 2.481 619 HD1 TYR 189 HD1 TYR 189 3.234 -0.123 2.055 620 HD2 TYR 189 HD2 TYR 189 5.733 -3.199 3.585 621 HE1 TYR 189 HE1 TYR 189 4.346 1.517 3.480 622 HE2 TYR 189 HE2 TYR 189 6.871 -1.561 5.025 623 HH TYR 189 HH TYR 189 6.356 1.847 4.696 624 H TYR 190 HN TYR 190 5.379 -5.775 2.168 625 HA TYR 190 HA TYR 190 3.405 -7.453 0.770 626 1HB TYR 190 HB2 TYR 190 6.067 -8.281 1.941 627 2HB TYR 190 HB1 TYR 190 4.939 -9.339 1.105 628 HD1 TYR 190 HD1 TYR 190 4.396 -6.834 -0.909 629 HD2 TYR 190 HD2 TYR 190 7.759 -9.122 0.319 630 HE1 TYR 190 HE1 TYR 190 5.507 -6.338 -3.038 631 HE2 TYR 190 HE2 TYR 190 8.884 -8.635 -1.805 632 HH TYR 190 HH TYR 190 8.820 -7.002 -3.589 633 H THR 191 HN THR 191 1.962 -8.600 1.968 634 HA THR 191 HA THR 191 2.041 -8.181 4.841 635 HB THR 191 HB THR 191 -0.116 -8.959 4.968 636 HG1 THR 191 HG1 THR 191 0.628 -10.636 2.887 637 1HG2 THR 191 HG21 THR 191 -1.401 -8.198 3.004 638 2HG2 THR 191 HG22 THR 191 0.121 -7.963 2.151 639 3HG2 THR 191 HG23 THR 191 -0.235 -7.011 3.596 640 H CYS 192 HN CYS 192 2.853 -9.479 6.249 641 HA CYS 192 HA CYS 192 2.778 -12.108 6.708 642 1HB CYS 192 HB2 CYS 192 4.425 -13.328 5.518 643 2HB CYS 192 HB1 CYS 192 3.630 -12.395 4.263 644 H CYS 193 HN CYS 193 5.109 -9.633 6.030 645 HA CYS 193 HA CYS 193 6.395 -10.121 8.608 646 1HB CYS 193 HB2 CYS 193 8.032 -9.794 6.113 647 2HB CYS 193 HB1 CYS 193 8.449 -10.613 7.619 648 HA PRO 194 HA PRO 194 6.523 -5.669 8.394 649 1HB PRO 194 HB2 PRO 194 6.907 -5.214 10.960 650 2HB PRO 194 HB1 PRO 194 5.420 -6.008 10.424 651 1HG PRO 194 HG2 PRO 194 7.876 -7.222 11.626 652 2HG PRO 194 HG1 PRO 194 6.171 -7.565 11.978 653 1HD PRO 194 HD2 PRO 194 7.788 -9.032 10.247 654 2HD PRO 194 HD1 PRO 194 6.014 -9.050 10.258 655 H ASP 195 HN ASP 195 9.114 -7.740 9.479 656 HA ASP 195 HA ASP 195 11.013 -5.529 9.571 657 1HB ASP 195 HB2 ASP 195 11.577 -8.458 10.044 658 2HB ASP 195 HB1 ASP 195 12.567 -7.082 10.523 659 H THR 196 HN THR 196 9.702 -6.812 7.070 660 HA THR 196 HA THR 196 12.191 -6.881 5.539 661 HB THR 196 HB THR 196 10.605 -8.760 4.240 662 HG1 THR 196 HG1 THR 196 10.577 -9.267 7.029 663 1HG2 THR 196 HG21 THR 196 12.336 -10.201 5.912 664 2HG2 THR 196 HG22 THR 196 13.147 -8.684 5.525 665 3HG2 THR 196 HG23 THR 196 12.581 -9.736 4.228 666 HA PRO 197 HA PRO 197 8.599 -4.491 3.601 667 1HB PRO 197 HB2 PRO 197 9.362 -1.970 4.138 668 2HB PRO 197 HB1 PRO 197 8.416 -2.919 5.289 669 1HG PRO 197 HG2 PRO 197 11.358 -2.373 5.247 670 2HG PRO 197 HG1 PRO 197 10.238 -2.353 6.621 671 1HD PRO 197 HD2 PRO 197 11.884 -4.455 6.050 672 2HD PRO 197 HD1 PRO 197 10.326 -4.629 6.883 673 H TYR 198 HN TYR 198 8.726 -3.642 1.534 674 HA TYR 198 HA TYR 198 11.449 -3.370 0.452 675 1HB TYR 198 HB2 TYR 198 8.861 -4.103 -0.912 676 2HB TYR 198 HB1 TYR 198 10.378 -3.849 -1.757 677 HD1 TYR 198 HD1 TYR 198 9.132 -5.812 1.175 678 HD2 TYR 198 HD2 TYR 198 11.501 -5.717 -2.348 679 HE1 TYR 198 HE1 TYR 198 9.695 -8.164 1.507 680 HE2 TYR 198 HE2 TYR 198 12.071 -8.067 -2.033 681 HH TYR 198 HH TYR 198 12.199 -9.705 -0.129 682 H LEU 199 HN LEU 199 11.997 -1.292 0.478 683 HA LEU 199 HA LEU 199 10.036 0.768 -0.242 684 1HB LEU 199 HB2 LEU 199 11.583 0.778 1.847 685 2HB LEU 199 HB1 LEU 199 12.833 1.269 0.725 686 HG LEU 199 HG LEU 199 10.369 2.765 1.556 687 1HD1 LEU 199 HD11 LEU 199 11.889 3.622 2.954 688 2HD1 LEU 199 HD12 LEU 199 12.567 4.435 1.544 689 3HD1 LEU 199 HD13 LEU 199 13.229 2.890 2.075 690 1HD2 LEU 199 HD21 LEU 199 10.277 3.203 -0.719 691 2HD2 LEU 199 HD22 LEU 199 12.028 3.122 -0.911 692 3HD2 LEU 199 HD23 LEU 199 11.291 4.513 -0.118 693 H ASP 200 HN ASP 200 10.193 1.940 -2.111 694 HA ASP 200 HA ASP 200 12.533 1.383 -3.802 695 1HB ASP 200 HB2 ASP 200 9.636 1.645 -4.492 696 2HB ASP 200 HB1 ASP 200 10.859 2.026 -5.698 697 H ILE 201 HN ILE 201 13.778 2.938 -4.340 698 HA ILE 201 HA ILE 201 12.847 5.684 -4.649 699 HB ILE 201 HB ILE 201 15.193 6.183 -3.374 700 1HG1 ILE 201 HG12 ILE 201 13.955 4.019 -1.686 701 2HG1 ILE 201 HG11 ILE 201 15.259 3.670 -2.816 702 1HG2 ILE 201 HG21 ILE 201 12.761 7.029 -3.051 703 2HG2 ILE 201 HG22 ILE 201 13.923 7.181 -1.734 704 3HG2 ILE 201 HG23 ILE 201 12.735 5.879 -1.714 705 1HD1 ILE 201 HD11 ILE 201 16.454 4.012 -0.915 706 2HD1 ILE 201 HD12 ILE 201 15.305 5.183 -0.268 707 3HD1 ILE 201 HD13 ILE 201 16.425 5.659 -1.545 708 H THR 202 HN THR 202 15.547 6.759 -4.924 709 HA THR 202 HA THR 202 16.164 5.637 -7.533 710 HB THR 202 HB THR 202 17.892 7.804 -6.758 711 HG1 THR 202 HG1 THR 202 16.586 9.066 -5.767 712 1HG2 THR 202 HG21 THR 202 16.033 8.750 -8.600 713 2HG2 THR 202 HG22 THR 202 16.257 7.043 -8.986 714 3HG2 THR 202 HG23 THR 202 17.649 8.124 -8.929 715 H GLU 203 HN GLU 203 16.883 4.137 -5.100 716 HA GLU 203 HA GLU 203 19.677 4.391 -4.650 717 1HB GLU 203 HB2 GLU 203 17.740 3.168 -3.285 718 2HB GLU 203 HB1 GLU 203 18.319 1.782 -4.198 719 1HG GLU 203 HG2 GLU 203 19.952 1.518 -2.738 720 2HG GLU 203 HG1 GLU 203 20.591 3.101 -3.177 721 H GLU 204 HN GLU 204 20.267 4.515 -6.965 722 HA GLU 204 HA GLU 204 20.143 2.098 -8.526 723 1HB GLU 204 HB2 GLU 204 21.408 3.360 -10.198 724 2HB GLU 204 HB1 GLU 204 20.036 4.291 -9.614 725 1HG GLU 204 HG2 GLU 204 22.009 5.105 -7.926 726 2HG GLU 204 HG1 GLU 204 22.902 4.832 -9.422 Start of MODEL 13 1 1H ILE 1 HT1 ILE 1 -10.491 14.255 3.350 2 2H ILE 1 HT2 ILE 1 -12.128 13.745 3.279 3 3H ILE 1 HT3 ILE 1 -10.997 13.172 2.121 4 HA ILE 1 HA ILE 1 -11.162 12.546 4.988 5 HB ILE 1 HB ILE 1 -10.814 10.483 2.898 6 1HG1 ILE 1 HG12 ILE 1 -13.444 11.921 3.339 7 2HG1 ILE 1 HG11 ILE 1 -12.511 11.896 1.846 8 1HG2 ILE 1 HG21 ILE 1 -11.153 9.310 4.747 9 2HG2 ILE 1 HG22 ILE 1 -12.847 9.790 4.647 10 3HG2 ILE 1 HG23 ILE 1 -11.722 10.724 5.632 11 1HD1 ILE 1 HD11 ILE 1 -13.488 10.017 1.211 12 2HD1 ILE 1 HD12 ILE 1 -14.546 10.154 2.615 13 3HD1 ILE 1 HD13 ILE 1 -13.051 9.223 2.724 14 H VAL 2 HN VAL 2 -9.630 10.871 5.600 15 HA VAL 2 HA VAL 2 -6.931 11.632 4.753 16 HB VAL 2 HB VAL 2 -7.750 9.990 7.158 17 1HG1 VAL 2 HG11 VAL 2 -5.568 10.255 7.917 18 2HG1 VAL 2 HG12 VAL 2 -5.288 11.687 6.931 19 3HG1 VAL 2 HG13 VAL 2 -5.323 10.095 6.179 20 1HG2 VAL 2 HG21 VAL 2 -8.002 11.872 8.452 21 2HG2 VAL 2 HG22 VAL 2 -8.659 12.448 6.920 22 3HG2 VAL 2 HG23 VAL 2 -7.014 12.873 7.390 23 H CYS 3 HN CYS 3 -5.368 9.969 4.205 24 HA CYS 3 HA CYS 3 -6.503 7.285 3.880 25 1HB CYS 3 HB2 CYS 3 -6.605 8.875 1.768 26 2HB CYS 3 HB1 CYS 3 -4.928 8.365 1.593 27 H HIS 4 HN HIS 4 -5.090 5.598 3.882 28 HA HIS 4 HA HIS 4 -2.341 6.181 4.750 29 1HB HIS 4 HB2 HIS 4 -4.282 3.994 5.304 30 2HB HIS 4 HB1 HIS 4 -2.580 3.559 5.247 31 HD1 HIS 4 HD1 HIS 4 -4.691 3.772 7.751 32 HD2 HIS 4 HD2 HIS 4 -1.415 6.180 6.889 33 HE1 HIS 4 HE1 HIS 4 -3.987 4.768 9.954 34 HE2 HIS 4 HE2 HIS 4 -1.949 6.150 9.420 35 H THR 5 HN THR 5 -1.485 6.476 2.626 36 HA THR 5 HA THR 5 -1.599 4.203 0.812 37 HB THR 5 HB THR 5 -1.835 6.290 -0.303 38 HG1 THR 5 HG1 THR 5 -0.515 5.594 -1.752 39 1HG2 THR 5 HG21 THR 5 -1.097 8.122 0.710 40 2HG2 THR 5 HG22 THR 5 0.455 7.764 -0.048 41 3HG2 THR 5 HG23 THR 5 0.138 7.238 1.605 42 H THR 6 HN THR 6 0.514 3.543 -0.205 43 HA THR 6 HA THR 6 2.676 3.474 1.755 44 HB THR 6 HB THR 6 2.942 1.134 1.204 45 HG1 THR 6 HG1 THR 6 2.114 1.158 -0.903 46 1HG2 THR 6 HG21 THR 6 0.151 1.863 2.004 47 2HG2 THR 6 HG22 THR 6 1.517 1.535 3.071 48 3HG2 THR 6 HG23 THR 6 0.816 0.233 2.107 49 H ALA 7 HN ALA 7 4.113 4.855 0.618 50 HA ALA 7 HA ALA 7 5.240 3.696 -1.755 51 1HB ALA 7 HB1 ALA 7 4.335 4.912 -3.346 52 2HB ALA 7 HB2 ALA 7 4.502 6.395 -2.422 53 3HB ALA 7 HB3 ALA 7 3.122 5.349 -2.147 54 H THR 8 HN THR 8 5.361 6.542 0.424 55 HA THR 8 HA THR 8 7.932 7.293 -0.611 56 HB THR 8 HB THR 8 6.625 9.067 0.155 57 HG1 THR 8 HG1 THR 8 8.107 10.060 1.298 58 1HG2 THR 8 HG21 THR 8 5.182 8.951 1.819 59 2HG2 THR 8 HG22 THR 8 6.487 8.696 2.976 60 3HG2 THR 8 HG23 THR 8 5.738 7.315 2.173 61 H SER 9 HN SER 9 8.911 7.926 2.288 62 HA SER 9 HA SER 9 10.711 5.738 2.343 63 1HB SER 9 HB2 SER 9 10.378 7.425 4.787 64 2HB SER 9 HB1 SER 9 11.848 6.859 4.002 65 HG SER 9 HG SER 9 11.861 8.571 2.767 66 HA PRO 10 HA PRO 10 7.987 3.921 5.726 67 1HB PRO 10 HB2 PRO 10 6.756 5.477 7.471 68 2HB PRO 10 HB1 PRO 10 8.523 5.526 7.397 69 1HG PRO 10 HG2 PRO 10 6.557 7.532 6.494 70 2HG PRO 10 HG1 PRO 10 8.260 7.751 6.928 71 1HD PRO 10 HD2 PRO 10 7.065 7.334 4.290 72 2HD PRO 10 HD1 PRO 10 8.723 7.827 4.691 73 H ILE 11 HN ILE 11 5.471 3.848 6.594 74 HA ILE 11 HA ILE 11 3.822 3.691 4.327 75 HB ILE 11 HB ILE 11 2.501 4.353 6.920 76 1HG1 ILE 11 HG12 ILE 11 2.861 1.686 7.256 77 2HG1 ILE 11 HG11 ILE 11 4.409 2.126 6.546 78 1HG2 ILE 11 HG21 ILE 11 1.475 2.000 5.867 79 2HG2 ILE 11 HG22 ILE 11 1.883 2.975 4.455 80 3HG2 ILE 11 HG23 ILE 11 0.802 3.620 5.689 81 1HD1 ILE 11 HD11 ILE 11 5.006 2.556 8.649 82 2HD1 ILE 11 HD12 ILE 11 3.335 2.672 9.202 83 3HD1 ILE 11 HD13 ILE 11 4.107 4.058 8.430 84 H SER 12 HN SER 12 2.543 5.220 3.266 85 HA SER 12 HA SER 12 3.000 7.980 4.106 86 1HB SER 12 HB2 SER 12 1.911 8.366 1.737 87 2HB SER 12 HB1 SER 12 3.587 7.834 1.868 88 HG SER 12 HG SER 12 2.707 6.443 0.455 89 H ALA 13 HN ALA 13 1.419 9.419 4.545 90 HA ALA 13 HA ALA 13 -1.360 8.470 4.485 91 1HB ALA 13 HB1 ALA 13 0.009 9.865 6.780 92 2HB ALA 13 HB2 ALA 13 -0.623 8.219 6.762 93 3HB ALA 13 HB3 ALA 13 -1.730 9.588 6.668 94 H VAL 14 HN VAL 14 -2.131 9.719 2.869 95 HA VAL 14 HA VAL 14 -1.880 12.636 3.213 96 HB VAL 14 HB VAL 14 -1.879 12.889 0.753 97 1HG1 VAL 14 HG11 VAL 14 0.233 13.046 1.819 98 2HG1 VAL 14 HG12 VAL 14 0.463 12.025 0.399 99 3HG1 VAL 14 HG13 VAL 14 0.348 11.296 2.001 100 1HG2 VAL 14 HG21 VAL 14 -1.031 10.580 -0.336 101 2HG2 VAL 14 HG22 VAL 14 -2.720 11.088 -0.320 102 3HG2 VAL 14 HG23 VAL 14 -2.129 9.953 0.893 103 H THR 15 HN THR 15 -3.624 13.894 2.363 104 HA THR 15 HA THR 15 -6.174 12.540 2.631 105 HB THR 15 HB THR 15 -5.673 14.746 3.731 106 HG1 THR 15 HG1 THR 15 -7.811 14.171 3.465 107 1HG2 THR 15 HG21 THR 15 -5.961 15.830 0.943 108 2HG2 THR 15 HG22 THR 15 -4.485 15.839 1.909 109 3HG2 THR 15 HG23 THR 15 -5.886 16.777 2.429 110 H CYS 16 HN CYS 16 -7.857 12.679 1.081 111 HA CYS 16 HA CYS 16 -6.864 12.586 -1.649 112 1HB CYS 16 HB2 CYS 16 -9.559 11.867 -0.491 113 2HB CYS 16 HB1 CYS 16 -9.088 11.635 -2.171 114 HA PRO 17 HA PRO 17 -8.590 16.392 -3.053 115 1HB PRO 17 HB2 PRO 17 -9.652 15.145 -5.478 116 2HB PRO 17 HB1 PRO 17 -8.302 16.268 -5.301 117 1HG PRO 17 HG2 PRO 17 -7.949 13.673 -5.962 118 2HG PRO 17 HG1 PRO 17 -6.765 14.583 -5.005 119 1HD PRO 17 HD2 PRO 17 -8.845 12.629 -4.087 120 2HD PRO 17 HD1 PRO 17 -7.155 12.807 -3.564 121 HA PRO 18 HA PRO 18 -12.961 16.933 -2.660 122 1HB PRO 18 HB2 PRO 18 -13.373 17.776 -5.464 123 2HB PRO 18 HB1 PRO 18 -13.661 18.668 -3.967 124 1HG PRO 18 HG2 PRO 18 -11.609 19.280 -5.567 125 2HG PRO 18 HG1 PRO 18 -11.459 19.364 -3.801 126 1HD PRO 18 HD2 PRO 18 -10.485 17.250 -5.688 127 2HD PRO 18 HD1 PRO 18 -9.682 17.950 -4.267 128 H GLY 19 HN GLY 19 -12.727 15.901 -6.082 129 1HA GLY 19 HA2 GLY 19 -15.106 14.346 -5.939 130 2HA GLY 19 HA1 GLY 19 -13.939 14.330 -7.253 131 H GLU 20 HN GLU 20 -11.672 13.492 -5.901 132 HA GLU 20 HA GLU 20 -12.300 10.682 -5.513 133 1HB GLU 20 HB2 GLU 20 -10.454 11.091 -6.963 134 2HB GLU 20 HB1 GLU 20 -9.729 12.229 -5.838 135 1HG GLU 20 HG2 GLU 20 -8.768 10.609 -4.599 136 2HG GLU 20 HG1 GLU 20 -10.090 9.473 -4.858 137 H ASN 21 HN ASN 21 -12.569 9.824 -3.534 138 HA ASN 21 HA ASN 21 -11.058 10.915 -1.285 139 1HB ASN 21 HB2 ASN 21 -13.956 10.454 -0.781 140 2HB ASN 21 HB1 ASN 21 -12.843 11.562 0.009 141 1HD2 ASN 21 HD21 ASN 21 -14.443 10.972 -3.069 142 2HD2 ASN 21 HD22 ASN 21 -14.694 12.637 -3.468 143 H LEU 22 HN LEU 22 -11.883 8.264 -2.952 144 HA LEU 22 HA LEU 22 -12.469 6.543 -0.716 145 1HB LEU 22 HB2 LEU 22 -12.633 6.386 -3.615 146 2HB LEU 22 HB1 LEU 22 -12.001 4.916 -2.893 147 HG LEU 22 HG LEU 22 -13.957 4.672 -1.528 148 1HD1 LEU 22 HD11 LEU 22 -15.884 6.254 -1.848 149 2HD1 LEU 22 HD12 LEU 22 -14.751 7.343 -2.648 150 3HD1 LEU 22 HD13 LEU 22 -14.505 6.900 -0.957 151 1HD2 LEU 22 HD21 LEU 22 -15.687 4.417 -3.290 152 2HD2 LEU 22 HD22 LEU 22 -14.126 3.723 -3.728 153 3HD2 LEU 22 HD23 LEU 22 -14.621 5.275 -4.403 154 H CYS 23 HN CYS 23 -11.209 4.861 0.006 155 HA CYS 23 HA CYS 23 -8.338 4.993 -0.659 156 1HB CYS 23 HB2 CYS 23 -9.748 4.517 1.930 157 2HB CYS 23 HB1 CYS 23 -8.065 4.085 1.701 158 H TYR 24 HN TYR 24 -7.566 3.167 -1.590 159 HA TYR 24 HA TYR 24 -9.144 0.713 -1.232 160 1HB TYR 24 HB2 TYR 24 -8.275 -0.068 -3.337 161 2HB TYR 24 HB1 TYR 24 -8.914 1.557 -3.559 162 HD1 TYR 24 HD1 TYR 24 -5.890 -0.521 -3.556 163 HD2 TYR 24 HD2 TYR 24 -7.417 3.437 -3.940 164 HE1 TYR 24 HE1 TYR 24 -3.764 0.199 -4.518 165 HE2 TYR 24 HE2 TYR 24 -5.282 4.168 -4.902 166 HH TYR 24 HH TYR 24 -3.128 2.329 -6.218 167 H ARG 25 HN ARG 25 -8.127 -1.271 -0.959 168 HA ARG 25 HA ARG 25 -5.373 -1.151 0.067 169 1HB ARG 25 HB2 ARG 25 -7.342 -1.482 1.750 170 2HB ARG 25 HB1 ARG 25 -7.396 -3.114 1.101 171 1HG ARG 25 HG2 ARG 25 -4.748 -2.128 1.952 172 2HG ARG 25 HG1 ARG 25 -5.933 -2.425 3.224 173 1HD ARG 25 HD2 ARG 25 -6.103 -4.687 2.710 174 2HD ARG 25 HD1 ARG 25 -5.440 -4.466 1.091 175 HE ARG 25 HE ARG 25 -3.386 -3.769 2.719 176 1HH1 ARG 25 HH11 ARG 25 -5.440 -6.583 2.484 177 2HH1 ARG 25 HH12 ARG 25 -4.230 -7.672 3.072 178 1HH2 ARG 25 HH21 ARG 25 -1.792 -5.207 3.500 179 2HH2 ARG 25 HH22 ARG 25 -2.163 -6.891 3.650 180 H LYS 26 HN LYS 26 -4.801 -1.716 -2.138 181 HA LYS 26 HA LYS 26 -5.679 -4.138 -3.336 182 1HB LYS 26 HB2 LYS 26 -4.802 -2.277 -4.647 183 2HB LYS 26 HB1 LYS 26 -3.237 -2.449 -3.874 184 1HG LYS 26 HG2 LYS 26 -2.715 -3.685 -5.651 185 2HG LYS 26 HG1 LYS 26 -3.650 -4.955 -4.865 186 1HD LYS 26 HD2 LYS 26 -4.957 -2.936 -6.651 187 2HD LYS 26 HD1 LYS 26 -4.179 -4.376 -7.317 188 1HE LYS 26 HE2 LYS 26 -5.656 -5.487 -5.353 189 2HE LYS 26 HE1 LYS 26 -6.672 -4.107 -5.770 190 1HZ LYS 26 HZ1 LYS 26 -5.640 -5.646 -8.008 191 2HZ LYS 26 HZ2 LYS 26 -7.172 -4.968 -7.775 192 3HZ LYS 26 HZ3 LYS 26 -6.778 -6.437 -7.037 193 H MET 27 HN MET 27 -4.783 -6.144 -3.397 194 HA MET 27 HA MET 27 -2.246 -6.675 -2.132 195 1HB MET 27 HB2 MET 27 -4.104 -6.544 -0.324 196 2HB MET 27 HB1 MET 27 -4.619 -8.093 -0.980 197 1HG MET 27 HG2 MET 27 -1.962 -8.519 -0.624 198 2HG MET 27 HG1 MET 27 -2.328 -7.429 0.712 199 1HE MET 27 HE1 MET 27 -5.226 -10.218 -0.482 200 2HE MET 27 HE2 MET 27 -4.094 -11.529 -0.153 201 3HE MET 27 HE3 MET 27 -3.667 -10.265 -1.307 202 H TRP 28 HN TRP 28 -1.290 -8.365 -3.031 203 HA TRP 28 HA TRP 28 -2.892 -10.510 -4.151 204 1HB TRP 28 HB2 TRP 28 -1.749 -10.519 -6.289 205 2HB TRP 28 HB1 TRP 28 -2.511 -8.957 -6.030 206 HD1 TRP 28 HD1 TRP 28 0.953 -10.598 -6.084 207 HE1 TRP 28 HE1 TRP 28 2.710 -8.755 -6.506 208 HE3 TRP 28 HE3 TRP 28 -2.097 -6.545 -5.817 209 HZ2 TRP 28 HZ2 TRP 28 2.769 -5.924 -6.695 210 HZ3 TRP 28 HZ3 TRP 28 -1.132 -4.307 -6.120 211 HH2 TRP 28 HH2 TRP 28 1.248 -3.992 -6.538 212 H CYS 29 HN CYS 29 -0.613 -11.792 -5.439 213 HA CYS 29 HA CYS 29 0.830 -12.546 -2.989 214 1HB CYS 29 HB2 CYS 29 -0.648 -14.133 -4.743 215 2HB CYS 29 HB1 CYS 29 1.031 -14.497 -5.124 216 H ASP 30 HN ASP 30 2.896 -12.207 -2.816 217 HA ASP 30 HA ASP 30 4.539 -12.154 -5.230 218 1HB ASP 30 HB2 ASP 30 3.802 -9.817 -4.233 219 2HB ASP 30 HB1 ASP 30 5.128 -10.139 -3.119 220 H ALA 31 HN ALA 31 4.875 -14.293 -4.309 221 HA ALA 31 HA ALA 31 6.686 -15.570 -3.654 222 1HB ALA 31 HB1 ALA 31 7.733 -13.218 -2.966 223 2HB ALA 31 HB2 ALA 31 8.452 -14.775 -2.578 224 3HB ALA 31 HB3 ALA 31 7.472 -13.934 -1.374 225 H PHE 32 HN PHE 32 4.227 -14.254 -1.501 226 HA PHE 32 HA PHE 32 4.709 -16.157 0.574 227 1HB PHE 32 HB2 PHE 32 3.062 -14.052 0.410 228 2HB PHE 32 HB1 PHE 32 1.916 -15.319 0.024 229 HD1 PHE 32 HD1 PHE 32 0.563 -15.343 1.946 230 HD2 PHE 32 HD2 PHE 32 4.796 -15.522 2.329 231 HE1 PHE 32 HE1 PHE 32 0.317 -15.844 4.340 232 HE2 PHE 32 HE2 PHE 32 4.559 -16.026 4.730 233 HZ PHE 32 HZ PHE 32 2.317 -16.188 5.737 234 H CYS 33 HN CYS 33 3.453 -16.152 -2.543 235 HA CYS 33 HA CYS 33 2.194 -18.752 -2.351 236 1HB CYS 33 HB2 CYS 33 2.497 -16.643 -4.491 237 2HB CYS 33 HB1 CYS 33 1.992 -18.279 -4.918 238 H SER 34 HN SER 34 4.997 -17.049 -3.533 239 HA SER 34 HA SER 34 6.265 -19.460 -4.549 240 1HB SER 34 HB2 SER 34 6.379 -16.755 -5.274 241 2HB SER 34 HB1 SER 34 7.958 -17.114 -4.577 242 HG SER 34 HG SER 34 7.294 -17.623 -6.975 243 H SER 35 HN SER 35 7.584 -16.776 -2.550 244 HA SER 35 HA SER 35 8.637 -18.768 -0.685 245 1HB SER 35 HB2 SER 35 10.824 -17.309 -0.773 246 2HB SER 35 HB1 SER 35 10.538 -18.597 -1.943 247 HG SER 35 HG SER 35 10.681 -15.889 -2.317 248 H ARG 36 HN ARG 36 8.845 -15.151 -1.069 249 HA ARG 36 HA ARG 36 8.983 -14.925 1.771 250 1HB ARG 36 HB2 ARG 36 8.886 -12.363 1.243 251 2HB ARG 36 HB1 ARG 36 10.337 -13.309 0.976 252 1HG ARG 36 HG2 ARG 36 9.754 -13.449 -1.421 253 2HG ARG 36 HG1 ARG 36 8.360 -12.415 -1.103 254 1HD ARG 36 HD2 ARG 36 10.515 -11.324 -1.978 255 2HD ARG 36 HD1 ARG 36 9.662 -10.557 -0.644 256 HE ARG 36 HE ARG 36 11.339 -11.705 0.825 257 1HH1 ARG 36 HH11 ARG 36 12.109 -10.910 -2.495 258 2HH1 ARG 36 HH12 ARG 36 13.811 -10.832 -2.203 259 1HH2 ARG 36 HH21 ARG 36 13.574 -11.597 1.195 260 2HH2 ARG 36 HH22 ARG 36 14.644 -11.221 -0.114 261 H GLY 37 HN GLY 37 6.780 -12.756 -0.152 262 1HA GLY 37 HA2 GLY 37 4.572 -13.776 1.418 263 2HA GLY 37 HA1 GLY 37 5.158 -12.231 1.972 264 H LYS 38 HN LYS 38 2.683 -12.144 1.448 265 HA LYS 38 HA LYS 38 1.974 -11.686 -1.277 266 1HB LYS 38 HB2 LYS 38 0.656 -11.579 1.346 267 2HB LYS 38 HB1 LYS 38 0.049 -10.398 0.195 268 1HG LYS 38 HG2 LYS 38 -1.218 -11.977 -0.694 269 2HG LYS 38 HG1 LYS 38 0.243 -12.823 -1.202 270 1HD LYS 38 HD2 LYS 38 -0.027 -14.419 0.336 271 2HD LYS 38 HD1 LYS 38 -0.357 -13.245 1.611 272 1HE LYS 38 HE2 LYS 38 -2.517 -13.538 -0.347 273 2HE LYS 38 HE1 LYS 38 -2.174 -15.001 0.575 274 1HZ LYS 38 HZ1 LYS 38 -2.872 -14.067 2.495 275 2HZ LYS 38 HZ2 LYS 38 -3.806 -13.127 1.443 276 3HZ LYS 38 HZ3 LYS 38 -2.365 -12.508 2.075 277 H VAL 39 HN VAL 39 1.241 -9.575 -2.102 278 HA VAL 39 HA VAL 39 2.983 -7.433 -1.087 279 HB VAL 39 HB VAL 39 2.030 -8.184 -3.800 280 1HG1 VAL 39 HG11 VAL 39 1.122 -6.062 -3.970 281 2HG1 VAL 39 HG12 VAL 39 2.788 -5.755 -4.459 282 3HG1 VAL 39 HG13 VAL 39 2.266 -5.359 -2.830 283 1HG2 VAL 39 HG21 VAL 39 4.550 -6.712 -3.147 284 2HG2 VAL 39 HG22 VAL 39 4.257 -7.949 -4.367 285 3HG2 VAL 39 HG23 VAL 39 4.393 -8.400 -2.666 286 H VAL 40 HN VAL 40 2.236 -5.339 -0.873 287 HA VAL 40 HA VAL 40 -0.666 -4.949 -0.899 288 HB VAL 40 HB VAL 40 0.910 -3.920 1.430 289 1HG1 VAL 40 HG11 VAL 40 -1.500 -3.275 0.749 290 2HG1 VAL 40 HG12 VAL 40 -1.152 -3.632 2.440 291 3HG1 VAL 40 HG13 VAL 40 -1.932 -4.844 1.425 292 1HG2 VAL 40 HG21 VAL 40 1.431 -6.100 1.877 293 2HG2 VAL 40 HG22 VAL 40 0.056 -6.723 0.968 294 3HG2 VAL 40 HG23 VAL 40 -0.185 -6.049 2.579 295 H GLU 41 HN GLU 41 -1.247 -3.102 -1.757 296 HA GLU 41 HA GLU 41 0.532 -0.784 -1.647 297 1HB GLU 41 HB2 GLU 41 -0.498 -0.313 -4.051 298 2HB GLU 41 HB1 GLU 41 1.012 -1.188 -3.838 299 1HG GLU 41 HG2 GLU 41 0.098 -3.178 -4.464 300 2HG GLU 41 HG1 GLU 41 -1.518 -2.734 -3.916 301 H LEU 42 HN LEU 42 -0.589 0.707 -0.564 302 HA LEU 42 HA LEU 42 -3.510 0.777 -0.887 303 1HB LEU 42 HB2 LEU 42 -2.139 2.370 1.214 304 2HB LEU 42 HB1 LEU 42 -3.699 1.570 1.256 305 HG LEU 42 HG LEU 42 -0.998 0.296 1.568 306 1HD1 LEU 42 HD11 LEU 42 -3.256 0.117 3.505 307 2HD1 LEU 42 HD12 LEU 42 -2.213 1.539 3.488 308 3HD1 LEU 42 HD13 LEU 42 -1.523 -0.056 3.782 309 1HD2 LEU 42 HD21 LEU 42 -2.042 -1.392 0.455 310 2HD2 LEU 42 HD22 LEU 42 -3.650 -0.867 0.949 311 3HD2 LEU 42 HD23 LEU 42 -2.615 -1.725 2.090 312 H GLY 43 HN GLY 43 -4.561 2.584 -1.574 313 1HA GLY 43 HA2 GLY 43 -3.084 5.072 -1.906 314 2HA GLY 43 HA1 GLY 43 -3.600 4.289 -3.392 315 H CYS 44 HN CYS 44 -4.876 6.141 -3.858 316 HA CYS 44 HA CYS 44 -7.467 6.063 -2.500 317 1HB CYS 44 HB2 CYS 44 -6.293 7.934 -1.490 318 2HB CYS 44 HB1 CYS 44 -5.885 8.574 -3.077 319 H ALA 45 HN ALA 45 -9.121 5.982 -3.885 320 HA ALA 45 HA ALA 45 -8.669 6.891 -6.651 321 1HB ALA 45 HB1 ALA 45 -10.160 4.426 -5.756 322 2HB ALA 45 HB2 ALA 45 -8.623 4.473 -6.621 323 3HB ALA 45 HB3 ALA 45 -10.098 5.031 -7.413 324 H ALA 46 HN ALA 46 -10.911 7.001 -7.812 325 HA ALA 46 HA ALA 46 -12.698 8.561 -6.078 326 1HB ALA 46 HB1 ALA 46 -13.078 8.669 -8.998 327 2HB ALA 46 HB2 ALA 46 -11.547 9.323 -8.410 328 3HB ALA 46 HB3 ALA 46 -13.073 9.969 -7.804 329 H THR 47 HN THR 47 -12.421 5.912 -8.309 330 HA THR 47 HA THR 47 -14.857 4.776 -7.354 331 HB THR 47 HB THR 47 -15.299 4.559 -10.070 332 HG1 THR 47 HG1 THR 47 -13.969 6.259 -10.577 333 1HG2 THR 47 HG21 THR 47 -17.335 5.335 -9.574 334 2HG2 THR 47 HG22 THR 47 -16.699 6.751 -8.733 335 3HG2 THR 47 HG23 THR 47 -16.758 5.189 -7.913 336 H CYS 48 HN CYS 48 -13.460 3.182 -6.661 337 HA CYS 48 HA CYS 48 -11.793 1.736 -8.501 338 1HB CYS 48 HB2 CYS 48 -11.497 0.180 -6.528 339 2HB CYS 48 HB1 CYS 48 -11.023 1.853 -6.252 340 HA PRO 49 HA PRO 49 -14.902 -1.162 -9.787 341 1HB PRO 49 HB2 PRO 49 -13.359 -2.905 -11.103 342 2HB PRO 49 HB1 PRO 49 -13.588 -1.256 -11.696 343 1HG PRO 49 HG2 PRO 49 -11.278 -2.428 -10.204 344 2HG PRO 49 HG1 PRO 49 -11.273 -1.300 -11.571 345 1HD PRO 49 HD2 PRO 49 -10.960 -0.565 -8.927 346 2HD PRO 49 HD1 PRO 49 -11.522 0.519 -10.214 347 H SER 50 HN SER 50 -14.755 -3.825 -10.037 348 HA SER 50 HA SER 50 -14.716 -4.724 -7.289 349 1HB SER 50 HB2 SER 50 -15.394 -6.271 -9.802 350 2HB SER 50 HB1 SER 50 -15.734 -6.766 -8.144 351 HG SER 50 HG SER 50 -17.468 -5.599 -8.213 352 H LYS 51 HN LYS 51 -13.815 -7.007 -6.893 353 HA LYS 51 HA LYS 51 -11.021 -6.961 -7.710 354 1HB LYS 51 HB2 LYS 51 -10.881 -8.899 -6.024 355 2HB LYS 51 HB1 LYS 51 -11.191 -7.285 -5.402 356 1HG LYS 51 HG2 LYS 51 -13.532 -8.990 -6.035 357 2HG LYS 51 HG1 LYS 51 -12.574 -9.389 -4.607 358 1HD LYS 51 HD2 LYS 51 -13.169 -6.541 -4.879 359 2HD LYS 51 HD1 LYS 51 -14.603 -7.554 -4.695 360 1HE LYS 51 HE2 LYS 51 -12.213 -7.751 -2.876 361 2HE LYS 51 HE1 LYS 51 -13.570 -6.672 -2.557 362 1HZ LYS 51 HZ1 LYS 51 -13.625 -8.941 -1.471 363 2HZ LYS 51 HZ2 LYS 51 -13.951 -9.572 -3.007 364 3HZ LYS 51 HZ3 LYS 51 -15.022 -8.470 -2.300 365 H LYS 52 HN LYS 52 -10.026 -8.454 -8.920 366 HA LYS 52 HA LYS 52 -11.714 -10.313 -10.393 367 1HB LYS 52 HB2 LYS 52 -8.766 -9.831 -10.807 368 2HB LYS 52 HB1 LYS 52 -9.923 -10.494 -11.952 369 1HG LYS 52 HG2 LYS 52 -10.170 -8.462 -12.790 370 2HG LYS 52 HG1 LYS 52 -10.908 -7.967 -11.266 371 1HD LYS 52 HD2 LYS 52 -9.065 -6.486 -11.862 372 2HD LYS 52 HD1 LYS 52 -8.696 -7.385 -10.388 373 1HE LYS 52 HE2 LYS 52 -7.173 -8.781 -11.480 374 2HE LYS 52 HE1 LYS 52 -7.808 -8.377 -13.074 375 1HZ LYS 52 HZ1 LYS 52 -6.683 -6.400 -13.124 376 2HZ LYS 52 HZ2 LYS 52 -5.589 -7.343 -12.246 377 3HZ LYS 52 HZ3 LYS 52 -6.603 -6.255 -11.440 378 HA PRO 53 HA PRO 53 -10.482 -13.957 -8.243 379 1HB PRO 53 HB2 PRO 53 -10.219 -15.758 -10.280 380 2HB PRO 53 HB1 PRO 53 -11.779 -15.214 -9.654 381 1HG PRO 53 HG2 PRO 53 -10.285 -14.295 -12.080 382 2HG PRO 53 HG1 PRO 53 -12.019 -14.624 -11.889 383 1HD PRO 53 HD2 PRO 53 -11.025 -12.119 -11.861 384 2HD PRO 53 HD1 PRO 53 -12.420 -12.590 -10.870 385 H TYR 54 HN TYR 54 -8.373 -12.670 -7.915 386 HA TYR 54 HA TYR 54 -6.199 -14.413 -8.245 387 1HB TYR 54 HB2 TYR 54 -6.471 -13.457 -10.610 388 2HB TYR 54 HB1 TYR 54 -5.889 -11.939 -9.936 389 HD1 TYR 54 HD1 TYR 54 -4.911 -14.822 -11.612 390 HD2 TYR 54 HD2 TYR 54 -3.651 -12.240 -8.473 391 HE1 TYR 54 HE1 TYR 54 -2.594 -15.578 -11.928 392 HE2 TYR 54 HE2 TYR 54 -1.331 -12.990 -8.781 393 HH TYR 54 HH TYR 54 -0.132 -14.946 -9.692 394 H GLU 55 HN GLU 55 -7.223 -11.057 -7.819 395 HA GLU 55 HA GLU 55 -5.347 -10.862 -5.563 396 1HB GLU 55 HB2 GLU 55 -5.953 -8.524 -7.362 397 2HB GLU 55 HB1 GLU 55 -4.688 -8.663 -6.150 398 1HG GLU 55 HG2 GLU 55 -3.394 -10.072 -7.497 399 2HG GLU 55 HG1 GLU 55 -4.746 -10.426 -8.572 400 H GLU 56 HN GLU 56 -5.973 -9.352 -3.908 401 HA GLU 56 HA GLU 56 -8.888 -9.018 -3.773 402 1HB GLU 56 HB2 GLU 56 -7.660 -10.391 -2.017 403 2HB GLU 56 HB1 GLU 56 -6.951 -8.880 -1.463 404 1HG GLU 56 HG2 GLU 56 -9.253 -8.010 -1.102 405 2HG GLU 56 HG1 GLU 56 -9.867 -9.616 -1.494 406 H VAL 57 HN VAL 57 -9.735 -7.065 -2.793 407 HA VAL 57 HA VAL 57 -7.984 -4.788 -2.514 408 HB VAL 57 HB VAL 57 -8.255 -4.808 -4.929 409 1HG1 VAL 57 HG11 VAL 57 -11.004 -4.141 -5.221 410 2HG1 VAL 57 HG12 VAL 57 -10.888 -5.653 -4.320 411 3HG1 VAL 57 HG13 VAL 57 -10.119 -5.508 -5.900 412 1HG2 VAL 57 HG21 VAL 57 -9.126 -2.558 -5.242 413 2HG2 VAL 57 HG22 VAL 57 -8.153 -2.647 -3.774 414 3HG2 VAL 57 HG23 VAL 57 -9.914 -2.627 -3.664 415 H THR 58 HN THR 58 -8.721 -3.752 -0.800 416 HA THR 58 HA THR 58 -11.570 -3.919 -0.136 417 HB THR 58 HB THR 58 -9.686 -2.630 1.748 418 HG1 THR 58 HG1 THR 58 -9.619 -5.429 1.321 419 1HG2 THR 58 HG21 THR 58 -11.426 -3.023 3.054 420 2HG2 THR 58 HG22 THR 58 -10.981 -4.729 2.996 421 3HG2 THR 58 HG23 THR 58 -12.170 -4.090 1.861 422 H CYS 59 HN CYS 59 -12.763 -2.314 -0.907 423 HA CYS 59 HA CYS 59 -11.580 0.334 -1.263 424 1HB CYS 59 HB2 CYS 59 -14.074 -0.988 -2.296 425 2HB CYS 59 HB1 CYS 59 -13.871 0.758 -2.384 426 H CYS 60 HN CYS 60 -11.954 1.955 0.086 427 HA CYS 60 HA CYS 60 -14.388 1.953 1.712 428 1HB CYS 60 HB2 CYS 60 -13.067 2.544 3.730 429 2HB CYS 60 HB1 CYS 60 -12.725 0.924 3.131 430 H SER 61 HN SER 61 -14.405 4.171 3.039 431 HA SER 61 HA SER 61 -13.224 6.323 1.452 432 1HB SER 61 HB2 SER 61 -15.286 7.403 0.956 433 2HB SER 61 HB1 SER 61 -15.478 5.717 0.476 434 HG SER 61 HG SER 61 -16.677 7.131 2.551 435 H THR 62 HN THR 62 -12.794 5.442 4.206 436 HA THR 62 HA THR 62 -13.668 7.890 5.586 437 HB THR 62 HB THR 62 -13.545 6.533 7.709 438 HG1 THR 62 HG1 THR 62 -12.779 4.606 7.485 439 1HG2 THR 62 HG21 THR 62 -15.596 5.918 5.619 440 2HG2 THR 62 HG22 THR 62 -15.720 6.993 7.012 441 3HG2 THR 62 HG23 THR 62 -15.684 5.246 7.247 442 H ASP 63 HN ASP 63 -12.204 8.821 7.087 443 HA ASP 63 HA ASP 63 -9.643 9.161 6.336 444 1HB ASP 63 HB2 ASP 63 -10.509 9.179 9.228 445 2HB ASP 63 HB1 ASP 63 -9.198 10.103 8.503 446 H LYS 64 HN LYS 64 -7.842 8.086 6.328 447 HA LYS 64 HA LYS 64 -6.388 6.318 6.510 448 1HB LYS 64 HB2 LYS 64 -7.232 6.597 9.397 449 2HB LYS 64 HB1 LYS 64 -5.781 5.780 8.834 450 1HG LYS 64 HG2 LYS 64 -6.384 8.686 8.376 451 2HG LYS 64 HG1 LYS 64 -5.375 8.066 9.684 452 1HD LYS 64 HD2 LYS 64 -4.342 6.859 7.423 453 2HD LYS 64 HD1 LYS 64 -4.737 8.486 6.880 454 1HE LYS 64 HE2 LYS 64 -3.222 7.988 9.417 455 2HE LYS 64 HE1 LYS 64 -2.410 8.083 7.857 456 1HZ LYS 64 HZ1 LYS 64 -3.400 10.306 7.573 457 2HZ LYS 64 HZ2 LYS 64 -2.362 10.219 8.905 458 3HZ LYS 64 HZ3 LYS 64 -4.037 10.209 9.138 459 H CYS 65 HN CYS 65 -8.810 5.360 5.613 460 HA CYS 65 HA CYS 65 -9.491 3.064 7.256 461 1HB CYS 65 HB2 CYS 65 -11.305 2.688 5.703 462 2HB CYS 65 HB1 CYS 65 -11.275 4.379 6.192 463 H ASN 66 HN ASN 66 -7.201 3.695 4.870 464 HA ASN 66 HA ASN 66 -7.221 0.881 3.999 465 1HB ASN 66 HB2 ASN 66 -5.734 1.680 2.134 466 2HB ASN 66 HB1 ASN 66 -7.368 2.333 2.096 467 1HD2 ASN 66 HD21 ASN 66 -4.584 3.223 1.187 468 2HD2 ASN 66 HD22 ASN 66 -4.490 4.859 1.727 469 HA PRO 67 HA PRO 67 -3.352 1.303 6.510 470 1HB PRO 67 HB2 PRO 67 -3.965 -0.031 8.694 471 2HB PRO 67 HB1 PRO 67 -4.693 1.562 8.426 472 1HG PRO 67 HG2 PRO 67 -5.886 -1.155 8.001 473 2HG PRO 67 HG1 PRO 67 -6.615 0.282 8.741 474 1HD PRO 67 HD2 PRO 67 -6.938 -0.510 6.083 475 2HD PRO 67 HD1 PRO 67 -7.258 1.109 6.729 476 H HIS 68 HN HIS 68 -2.383 -0.842 7.886 477 HA HIS 68 HA HIS 68 -2.371 -2.979 5.860 478 1HB HIS 68 HB2 HIS 68 -0.233 -1.579 7.150 479 2HB HIS 68 HB1 HIS 68 -0.151 -3.278 7.603 480 HD1 HIS 68 HD1 HIS 68 0.015 -1.017 4.606 481 HD2 HIS 68 HD2 HIS 68 0.673 -5.007 5.585 482 HE1 HIS 68 HE1 HIS 68 1.061 -2.047 2.569 483 HE2 HIS 68 HE2 HIS 68 1.553 -4.429 3.228 484 HA PRO 69 HA PRO 69 -3.850 -5.742 8.990 485 1HB PRO 69 HB2 PRO 69 -3.048 -8.083 7.637 486 2HB PRO 69 HB1 PRO 69 -4.587 -7.239 7.469 487 1HG PRO 69 HG2 PRO 69 -2.600 -7.486 5.503 488 2HG PRO 69 HG1 PRO 69 -3.997 -6.401 5.456 489 1HD PRO 69 HD2 PRO 69 -1.168 -5.820 6.173 490 2HD PRO 69 HD1 PRO 69 -2.379 -4.777 5.402 491 H LYS 70 HN LYS 70 -0.855 -7.160 7.626 492 HA LYS 70 HA LYS 70 -0.125 -8.349 10.096 493 1HB LYS 70 HB2 LYS 70 0.819 -8.354 7.386 494 2HB LYS 70 HB1 LYS 70 2.178 -8.107 8.470 495 1HG LYS 70 HG2 LYS 70 0.255 -10.415 8.407 496 2HG LYS 70 HG1 LYS 70 1.992 -10.436 8.113 497 1HD LYS 70 HD2 LYS 70 0.609 -9.915 10.744 498 2HD LYS 70 HD1 LYS 70 1.536 -11.346 10.300 499 1HE LYS 70 HE2 LYS 70 3.501 -10.354 10.724 500 2HE LYS 70 HE1 LYS 70 3.002 -8.830 9.995 501 1HZ LYS 70 HZ1 LYS 70 3.381 -9.183 12.613 502 2HZ LYS 70 HZ2 LYS 70 1.718 -9.471 12.510 503 3HZ LYS 70 HZ3 LYS 70 2.357 -8.003 11.962 504 H GLN 71 HN GLN 71 0.699 -5.343 8.495 505 HA GLN 71 HA GLN 71 2.663 -4.666 10.535 506 1HB GLN 71 HB2 GLN 71 1.691 -3.192 8.081 507 2HB GLN 71 HB1 GLN 71 2.878 -2.541 9.200 508 1HG GLN 71 HG2 GLN 71 4.389 -3.469 7.860 509 2HG GLN 71 HG1 GLN 71 3.925 -4.990 8.618 510 1HE2 GLN 71 HE21 GLN 71 3.900 -3.111 5.760 511 2HE2 GLN 71 HE22 GLN 71 3.127 -4.268 4.737 512 H ARG 72 HN ARG 72 2.397 -2.089 11.029 513 HA ARG 72 HA ARG 72 1.076 -0.351 11.800 514 1HB ARG 72 HB2 ARG 72 -1.031 -2.216 11.230 515 2HB ARG 72 HB1 ARG 72 -1.279 -1.520 12.821 516 1HG ARG 72 HG2 ARG 72 -1.024 0.729 11.804 517 2HG ARG 72 HG1 ARG 72 -0.950 -0.049 10.222 518 1HD ARG 72 HD2 ARG 72 -3.249 0.052 12.156 519 2HD ARG 72 HD1 ARG 72 -3.192 0.627 10.490 520 HE ARG 72 HE ARG 72 -2.754 -2.026 10.232 521 1HH1 ARG 72 HH11 ARG 72 -5.213 -0.175 11.877 522 2HH1 ARG 72 HH12 ARG 72 -6.436 -1.382 11.672 523 1HH2 ARG 72 HH21 ARG 72 -4.364 -3.615 9.960 524 2HH2 ARG 72 HH22 ARG 72 -5.955 -3.335 10.585 525 HA PRO 73 HA PRO 73 0.871 -1.965 16.198 526 1HB PRO 73 HB2 PRO 73 0.163 -4.458 16.834 527 2HB PRO 73 HB1 PRO 73 -1.040 -3.273 16.310 528 1HG PRO 73 HG2 PRO 73 0.174 -5.536 14.803 529 2HG PRO 73 HG1 PRO 73 -1.475 -4.893 14.731 530 1HD PRO 73 HD2 PRO 73 0.610 -4.331 12.941 531 2HD PRO 73 HD1 PRO 73 -0.919 -3.445 13.077 532 H GLY 74 HN GLY 74 3.206 -2.095 14.760 533 1HA GLY 74 HA2 GLY 74 4.648 -4.504 15.517 534 2HA GLY 74 HA1 GLY 74 5.285 -3.155 14.588 535 1H GLU 180 HT1 GLU 180 18.703 13.076 -6.798 536 2H GLU 180 HT2 GLU 180 19.883 14.223 -6.311 537 3H GLU 180 HT3 GLU 180 18.885 13.465 -5.139 538 HA GLU 180 HA GLU 180 20.786 12.048 -6.878 539 1HB GLU 180 HB2 GLU 180 21.038 13.231 -4.119 540 2HB GLU 180 HB1 GLU 180 22.054 11.893 -4.640 541 1HG GLU 180 HG2 GLU 180 23.134 13.179 -6.251 542 2HG GLU 180 HG1 GLU 180 21.873 14.412 -6.246 543 H GLU 181 HN GLU 181 19.643 11.814 -3.523 544 HA GLU 181 HA GLU 181 18.818 9.046 -4.089 545 1HB GLU 181 HB2 GLU 181 20.639 9.226 -2.464 546 2HB GLU 181 HB1 GLU 181 19.666 10.305 -1.473 547 1HG GLU 181 HG2 GLU 181 18.152 8.574 -0.914 548 2HG GLU 181 HG1 GLU 181 18.838 7.493 -2.127 549 H ARG 182 HN ARG 182 17.812 12.124 -2.825 550 HA ARG 182 HA ARG 182 15.533 11.413 -1.403 551 1HB ARG 182 HB2 ARG 182 16.101 13.871 -3.063 552 2HB ARG 182 HB1 ARG 182 14.713 13.711 -1.994 553 1HG ARG 182 HG2 ARG 182 17.315 13.140 -0.756 554 2HG ARG 182 HG1 ARG 182 17.075 14.807 -1.282 555 1HD ARG 182 HD2 ARG 182 15.513 15.212 0.289 556 2HD ARG 182 HD1 ARG 182 14.801 13.607 0.140 557 HE ARG 182 HE ARG 182 16.122 12.893 1.868 558 1HH1 ARG 182 HH11 ARG 182 17.333 15.953 0.706 559 2HH1 ARG 182 HH12 ARG 182 18.465 16.139 2.003 560 1HH2 ARG 182 HH21 ARG 182 17.609 13.139 3.575 561 2HH2 ARG 182 HH22 ARG 182 18.622 14.542 3.632 562 H GLY 183 HN GLY 183 13.983 10.097 -2.119 563 1HA GLY 183 HA2 GLY 183 13.122 10.294 -4.922 564 2HA GLY 183 HA1 GLY 183 12.791 8.949 -3.839 565 H TRP 184 HN TRP 184 10.573 9.324 -4.791 566 HA TRP 184 HA TRP 184 9.193 11.511 -3.391 567 1HB TRP 184 HB2 TRP 184 7.318 10.715 -5.120 568 2HB TRP 184 HB1 TRP 184 8.563 11.881 -5.549 569 HD1 TRP 184 HD1 TRP 184 10.649 10.941 -7.027 570 HE1 TRP 184 HE1 TRP 184 10.760 8.999 -8.710 571 HE3 TRP 184 HE3 TRP 184 6.392 8.439 -5.666 572 HZ2 TRP 184 HZ2 TRP 184 9.257 6.724 -9.368 573 HZ3 TRP 184 HZ3 TRP 184 5.802 6.383 -6.892 574 HH2 TRP 184 HH2 TRP 184 7.206 5.544 -8.706 575 H LYS 185 HN LYS 185 7.423 8.866 -4.647 576 HA LYS 185 HA LYS 185 7.050 7.674 -2.023 577 1HB LYS 185 HB2 LYS 185 5.192 9.420 -3.226 578 2HB LYS 185 HB1 LYS 185 4.523 7.806 -3.383 579 1HG LYS 185 HG2 LYS 185 3.749 8.020 -1.333 580 2HG LYS 185 HG1 LYS 185 5.411 7.928 -0.777 581 1HD LYS 185 HD2 LYS 185 4.315 9.866 0.160 582 2HD LYS 185 HD1 LYS 185 5.610 10.351 -0.939 583 1HE LYS 185 HE2 LYS 185 2.938 10.052 -2.151 584 2HE LYS 185 HE1 LYS 185 3.111 11.378 -1.002 585 1HZ LYS 185 HZ1 LYS 185 4.195 11.092 -3.656 586 2HZ LYS 185 HZ2 LYS 185 5.330 11.620 -2.518 587 3HZ LYS 185 HZ3 LYS 185 3.899 12.493 -2.753 588 H HIS 186 HN HIS 186 8.247 5.852 -2.877 589 HA HIS 186 HA HIS 186 6.555 4.133 -4.564 590 1HB HIS 186 HB2 HIS 186 8.500 5.144 -5.862 591 2HB HIS 186 HB1 HIS 186 9.561 4.189 -4.835 592 HD1 HIS 186 HD1 HIS 186 10.242 3.088 -7.207 593 HD2 HIS 186 HD2 HIS 186 6.430 2.237 -5.791 594 HE1 HIS 186 HE1 HIS 186 9.476 1.077 -8.506 595 HE2 HIS 186 HE2 HIS 186 7.207 0.521 -7.562 596 H TRP 187 HN TRP 187 5.897 2.648 -3.104 597 HA TRP 187 HA TRP 187 7.937 1.421 -1.344 598 1HB TRP 187 HB2 TRP 187 5.236 2.399 -0.809 599 2HB TRP 187 HB1 TRP 187 5.464 0.759 -0.270 600 HD1 TRP 187 HD1 TRP 187 6.036 4.276 0.747 601 HE1 TRP 187 HE1 TRP 187 7.267 4.363 2.982 602 HE3 TRP 187 HE3 TRP 187 7.526 -0.608 1.075 603 HZ2 TRP 187 HZ2 TRP 187 8.649 2.592 4.699 604 HZ3 TRP 187 HZ3 TRP 187 8.820 -1.303 3.016 605 HH2 TRP 187 HH2 TRP 187 9.355 0.256 4.813 606 H VAL 188 HN VAL 188 6.882 -0.658 -0.445 607 HA VAL 188 HA VAL 188 5.346 -2.305 -2.147 608 HB VAL 188 HB VAL 188 8.047 -3.499 -1.701 609 1HG1 VAL 188 HG11 VAL 188 7.473 -4.866 -3.536 610 2HG1 VAL 188 HG12 VAL 188 6.216 -3.751 -4.075 611 3HG1 VAL 188 HG13 VAL 188 5.989 -4.691 -2.599 612 1HG2 VAL 188 HG21 VAL 188 7.488 -1.736 -4.082 613 2HG2 VAL 188 HG22 VAL 188 8.949 -2.675 -3.777 614 3HG2 VAL 188 HG23 VAL 188 8.547 -1.308 -2.738 615 H TYR 189 HN TYR 189 4.144 -2.418 -0.193 616 HA TYR 189 HA TYR 189 5.493 -3.559 2.146 617 1HB TYR 189 HB2 TYR 189 2.885 -2.147 1.679 618 2HB TYR 189 HB1 TYR 189 3.080 -3.177 3.090 619 HD1 TYR 189 HD1 TYR 189 5.980 -2.484 3.716 620 HD2 TYR 189 HD2 TYR 189 2.636 -0.100 2.681 621 HE1 TYR 189 HE1 TYR 189 6.958 -0.573 4.910 622 HE2 TYR 189 HE2 TYR 189 3.599 1.815 3.858 623 HH TYR 189 HH TYR 189 6.312 1.501 5.934 624 H TYR 190 HN TYR 190 5.467 -5.684 2.404 625 HA TYR 190 HA TYR 190 3.501 -7.253 0.920 626 1HB TYR 190 HB2 TYR 190 6.068 -8.039 2.309 627 2HB TYR 190 HB1 TYR 190 4.996 -9.179 1.507 628 HD1 TYR 190 HD1 TYR 190 5.899 -9.929 -0.469 629 HD2 TYR 190 HD2 TYR 190 6.415 -5.839 0.578 630 HE1 TYR 190 HE1 TYR 190 7.068 -9.538 -2.594 631 HE2 TYR 190 HE2 TYR 190 7.586 -5.442 -1.534 632 HH TYR 190 HH TYR 190 7.411 -7.138 -4.090 633 H THR 191 HN THR 191 2.207 -8.817 1.858 634 HA THR 191 HA THR 191 1.652 -8.394 4.680 635 HB THR 191 HB THR 191 -0.430 -9.182 4.336 636 HG1 THR 191 HG1 THR 191 -0.411 -11.239 4.019 637 1HG2 THR 191 HG21 THR 191 -0.959 -9.401 1.723 638 2HG2 THR 191 HG22 THR 191 0.497 -8.421 1.664 639 3HG2 THR 191 HG23 THR 191 -0.892 -7.873 2.592 640 H CYS 192 HN CYS 192 2.012 -9.854 6.233 641 HA CYS 192 HA CYS 192 2.337 -12.312 6.767 642 1HB CYS 192 HB2 CYS 192 4.060 -13.542 5.671 643 2HB CYS 192 HB1 CYS 192 3.198 -12.752 4.359 644 H CYS 193 HN CYS 193 4.617 -9.825 5.967 645 HA CYS 193 HA CYS 193 5.932 -10.207 8.552 646 1HB CYS 193 HB2 CYS 193 7.483 -9.813 6.008 647 2HB CYS 193 HB1 CYS 193 8.002 -10.560 7.518 648 HA PRO 194 HA PRO 194 5.679 -5.745 8.277 649 1HB PRO 194 HB2 PRO 194 5.550 -5.267 10.858 650 2HB PRO 194 HB1 PRO 194 4.249 -6.178 10.077 651 1HG PRO 194 HG2 PRO 194 6.541 -7.198 11.707 652 2HG PRO 194 HG1 PRO 194 4.831 -7.660 11.773 653 1HD PRO 194 HD2 PRO 194 6.810 -9.018 10.362 654 2HD PRO 194 HD1 PRO 194 5.066 -9.155 10.070 655 H ASP 195 HN ASP 195 8.128 -7.598 9.993 656 HA ASP 195 HA ASP 195 9.812 -5.281 10.406 657 1HB ASP 195 HB2 ASP 195 10.072 -8.203 11.073 658 2HB ASP 195 HB1 ASP 195 11.435 -7.101 11.244 659 H THR 196 HN THR 196 9.106 -6.832 7.695 660 HA THR 196 HA THR 196 11.777 -6.393 6.604 661 HB THR 196 HB THR 196 11.833 -8.734 6.891 662 HG1 THR 196 HG1 THR 196 12.416 -9.039 4.916 663 1HG2 THR 196 HG21 THR 196 9.181 -8.766 7.043 664 2HG2 THR 196 HG22 THR 196 10.142 -10.207 6.708 665 3HG2 THR 196 HG23 THR 196 9.373 -9.331 5.384 666 HA PRO 197 HA PRO 197 8.350 -4.803 3.855 667 1HB PRO 197 HB2 PRO 197 8.332 -2.212 4.454 668 2HB PRO 197 HB1 PRO 197 7.524 -3.375 5.506 669 1HG PRO 197 HG2 PRO 197 10.181 -2.044 5.842 670 2HG PRO 197 HG1 PRO 197 8.929 -2.368 7.054 671 1HD PRO 197 HD2 PRO 197 11.188 -3.928 6.630 672 2HD PRO 197 HD1 PRO 197 9.712 -4.468 7.452 673 H TYR 198 HN TYR 198 8.780 -4.003 1.794 674 HA TYR 198 HA TYR 198 11.560 -3.135 1.346 675 1HB TYR 198 HB2 TYR 198 9.749 -4.078 -0.856 676 2HB TYR 198 HB1 TYR 198 11.503 -4.120 -0.772 677 HD1 TYR 198 HD1 TYR 198 9.620 -6.356 -1.556 678 HD2 TYR 198 HD2 TYR 198 11.429 -5.339 2.147 679 HE1 TYR 198 HE1 TYR 198 9.484 -8.676 -0.864 680 HE2 TYR 198 HE2 TYR 198 11.290 -7.684 2.859 681 HH TYR 198 HH TYR 198 9.421 -9.835 1.765 682 H LEU 199 HN LEU 199 11.979 -1.124 0.761 683 HA LEU 199 HA LEU 199 9.755 0.646 0.051 684 1HB LEU 199 HB2 LEU 199 12.575 1.307 0.872 685 2HB LEU 199 HB1 LEU 199 11.291 2.464 0.603 686 HG LEU 199 HG LEU 199 10.058 1.458 2.475 687 1HD1 LEU 199 HD11 LEU 199 10.865 -0.720 2.723 688 2HD1 LEU 199 HD12 LEU 199 11.577 0.138 4.088 689 3HD1 LEU 199 HD13 LEU 199 12.546 -0.198 2.653 690 1HD2 LEU 199 HD21 LEU 199 12.787 2.372 3.319 691 2HD2 LEU 199 HD22 LEU 199 11.249 2.619 4.148 692 3HD2 LEU 199 HD23 LEU 199 11.580 3.460 2.633 693 H ASP 200 HN ASP 200 10.720 2.664 -1.224 694 HA ASP 200 HA ASP 200 12.587 2.194 -3.285 695 1HB ASP 200 HB2 ASP 200 9.780 1.474 -3.831 696 2HB ASP 200 HB1 ASP 200 10.523 2.524 -5.034 697 H ILE 201 HN ILE 201 13.308 4.123 -3.978 698 HA ILE 201 HA ILE 201 11.513 6.435 -3.758 699 HB ILE 201 HB ILE 201 14.020 7.506 -3.198 700 1HG1 ILE 201 HG12 ILE 201 14.634 6.203 -1.100 701 2HG1 ILE 201 HG11 ILE 201 13.620 4.902 -1.713 702 1HG2 ILE 201 HG21 ILE 201 11.440 7.199 -1.929 703 2HG2 ILE 201 HG22 ILE 201 12.552 8.568 -1.915 704 3HG2 ILE 201 HG23 ILE 201 12.750 7.259 -0.750 705 1HD1 ILE 201 HD11 ILE 201 15.069 4.948 -3.788 706 2HD1 ILE 201 HD12 ILE 201 15.819 4.349 -2.308 707 3HD1 ILE 201 HD13 ILE 201 16.164 5.985 -2.873 708 H THR 202 HN THR 202 14.918 6.752 -4.575 709 HA THR 202 HA THR 202 14.554 6.555 -7.396 710 HB THR 202 HB THR 202 14.887 9.331 -6.244 711 HG1 THR 202 HG1 THR 202 12.665 8.015 -7.385 712 1HG2 THR 202 HG21 THR 202 14.396 8.559 -9.105 713 2HG2 THR 202 HG22 THR 202 15.990 8.931 -8.446 714 3HG2 THR 202 HG23 THR 202 14.730 10.164 -8.457 715 H GLU 203 HN GLU 203 16.510 6.865 -8.566 716 HA GLU 203 HA GLU 203 18.914 7.739 -7.349 717 1HB GLU 203 HB2 GLU 203 20.032 5.432 -7.456 718 2HB GLU 203 HB1 GLU 203 18.987 5.767 -6.082 719 1HG GLU 203 HG2 GLU 203 17.148 4.630 -7.464 720 2HG GLU 203 HG1 GLU 203 18.473 4.013 -8.450 721 H GLU 204 HN GLU 204 20.852 7.175 -8.746 722 HA GLU 204 HA GLU 204 20.005 6.930 -11.558 723 1HB GLU 204 HB2 GLU 204 22.003 8.397 -12.068 724 2HB GLU 204 HB1 GLU 204 20.662 9.190 -11.252 725 1HG GLU 204 HG2 GLU 204 22.640 9.965 -10.229 726 2HG GLU 204 HG1 GLU 204 21.892 8.839 -9.097 Start of MODEL 14 1 1H ILE 1 HT1 ILE 1 -11.768 13.306 3.354 2 2H ILE 1 HT2 ILE 1 -10.729 12.660 2.151 3 3H ILE 1 HT3 ILE 1 -10.216 13.990 3.107 4 HA ILE 1 HA ILE 1 -10.288 12.626 5.062 5 HB ILE 1 HB ILE 1 -10.612 10.263 4.947 6 1HG1 ILE 1 HG12 ILE 1 -11.699 9.908 2.325 7 2HG1 ILE 1 HG11 ILE 1 -10.092 10.611 2.175 8 1HG2 ILE 1 HG21 ILE 1 -12.975 11.089 3.382 9 2HG2 ILE 1 HG22 ILE 1 -12.600 12.050 4.812 10 3HG2 ILE 1 HG23 ILE 1 -12.870 10.314 4.964 11 1HD1 ILE 1 HD11 ILE 1 -10.881 7.925 2.870 12 2HD1 ILE 1 HD12 ILE 1 -9.782 8.619 4.063 13 3HD1 ILE 1 HD13 ILE 1 -9.311 8.549 2.365 14 H VAL 2 HN VAL 2 -8.687 10.786 5.448 15 HA VAL 2 HA VAL 2 -6.234 11.485 4.017 16 HB VAL 2 HB VAL 2 -6.799 10.144 6.664 17 1HG1 VAL 2 HG11 VAL 2 -4.168 10.521 5.229 18 2HG1 VAL 2 HG12 VAL 2 -4.861 9.026 5.861 19 3HG1 VAL 2 HG13 VAL 2 -4.277 10.267 6.971 20 1HG2 VAL 2 HG21 VAL 2 -6.886 12.733 6.191 21 2HG2 VAL 2 HG22 VAL 2 -5.133 12.595 6.333 22 3HG2 VAL 2 HG23 VAL 2 -6.167 12.102 7.674 23 H CYS 3 HN CYS 3 -4.705 9.716 3.477 24 HA CYS 3 HA CYS 3 -5.934 7.077 3.282 25 1HB CYS 3 HB2 CYS 3 -6.272 8.663 1.176 26 2HB CYS 3 HB1 CYS 3 -4.649 8.090 0.797 27 H HIS 4 HN HIS 4 -4.531 5.679 4.042 28 HA HIS 4 HA HIS 4 -1.722 6.253 4.245 29 1HB HIS 4 HB2 HIS 4 -3.522 4.015 5.076 30 2HB HIS 4 HB1 HIS 4 -1.789 3.724 5.010 31 HD1 HIS 4 HD1 HIS 4 -0.590 6.145 6.246 32 HD2 HIS 4 HD2 HIS 4 -4.112 4.454 7.661 33 HE1 HIS 4 HE1 HIS 4 -0.782 6.899 8.637 34 HE2 HIS 4 HE2 HIS 4 -2.864 5.774 9.504 35 H THR 5 HN THR 5 -1.036 6.425 2.074 36 HA THR 5 HA THR 5 -1.270 4.077 0.377 37 HB THR 5 HB THR 5 -1.579 6.350 -0.589 38 HG1 THR 5 HG1 THR 5 0.736 5.174 -1.695 39 1HG2 THR 5 HG21 THR 5 -0.135 7.851 0.344 40 2HG2 THR 5 HG22 THR 5 0.709 7.473 -1.158 41 3HG2 THR 5 HG23 THR 5 1.215 6.718 0.353 42 H THR 6 HN THR 6 0.808 3.439 -0.802 43 HA THR 6 HA THR 6 3.033 3.335 1.082 44 HB THR 6 HB THR 6 3.264 1.035 0.573 45 HG1 THR 6 HG1 THR 6 1.872 0.021 -0.944 46 1HG2 THR 6 HG21 THR 6 1.560 1.414 2.212 47 2HG2 THR 6 HG22 THR 6 1.084 0.071 1.169 48 3HG2 THR 6 HG23 THR 6 0.365 1.666 0.942 49 H ALA 7 HN ALA 7 4.468 4.740 0.012 50 HA ALA 7 HA ALA 7 5.498 3.722 -2.477 51 1HB ALA 7 HB1 ALA 7 4.164 6.401 -2.428 52 2HB ALA 7 HB2 ALA 7 3.641 4.959 -3.298 53 3HB ALA 7 HB3 ALA 7 5.134 5.772 -3.759 54 H THR 8 HN THR 8 5.872 6.310 -0.011 55 HA THR 8 HA THR 8 8.501 6.841 -1.147 56 HB THR 8 HB THR 8 7.344 8.792 -0.565 57 HG1 THR 8 HG1 THR 8 8.912 9.746 0.513 58 1HG2 THR 8 HG21 THR 8 6.070 9.146 1.228 59 2HG2 THR 8 HG22 THR 8 7.250 8.440 2.331 60 3HG2 THR 8 HG23 THR 8 6.140 7.397 1.440 61 H SER 9 HN SER 9 9.336 7.623 1.812 62 HA SER 9 HA SER 9 11.022 5.369 2.084 63 1HB SER 9 HB2 SER 9 10.567 7.865 3.638 64 2HB SER 9 HB1 SER 9 11.332 6.521 4.486 65 HG SER 9 HG SER 9 12.305 8.142 2.489 66 HA PRO 10 HA PRO 10 8.040 3.754 5.310 67 1HB PRO 10 HB2 PRO 10 6.849 5.346 7.045 68 2HB PRO 10 HB1 PRO 10 8.619 5.290 7.036 69 1HG PRO 10 HG2 PRO 10 6.800 7.415 6.077 70 2HG PRO 10 HG1 PRO 10 8.479 7.541 6.631 71 1HD PRO 10 HD2 PRO 10 7.464 7.282 3.913 72 2HD PRO 10 HD1 PRO 10 9.125 7.600 4.449 73 H ILE 11 HN ILE 11 5.510 3.793 6.042 74 HA ILE 11 HA ILE 11 3.950 3.813 3.710 75 HB ILE 11 HB ILE 11 2.868 4.266 6.498 76 1HG1 ILE 11 HG12 ILE 11 2.974 1.559 5.246 77 2HG1 ILE 11 HG11 ILE 11 4.429 2.191 6.008 78 1HG2 ILE 11 HG21 ILE 11 0.798 3.744 5.706 79 2HG2 ILE 11 HG22 ILE 11 1.429 2.733 4.406 80 3HG2 ILE 11 HG23 ILE 11 1.484 4.491 4.263 81 1HD1 ILE 11 HD11 ILE 11 3.275 2.424 8.108 82 2HD1 ILE 11 HD12 ILE 11 3.098 0.775 7.504 83 3HD1 ILE 11 HD13 ILE 11 1.760 1.915 7.361 84 H SER 12 HN SER 12 3.129 5.508 2.529 85 HA SER 12 HA SER 12 3.372 8.177 3.704 86 1HB SER 12 HB2 SER 12 2.730 8.709 1.157 87 2HB SER 12 HB1 SER 12 4.378 8.330 1.646 88 HG SER 12 HG SER 12 3.982 6.981 -0.016 89 H ALA 13 HN ALA 13 1.682 9.339 4.321 90 HA ALA 13 HA ALA 13 -1.002 8.426 3.523 91 1HB ALA 13 HB1 ALA 13 -0.055 8.506 6.041 92 2HB ALA 13 HB2 ALA 13 -1.758 8.702 5.630 93 3HB ALA 13 HB3 ALA 13 -0.752 10.121 5.919 94 H VAL 14 HN VAL 14 -2.193 9.775 2.347 95 HA VAL 14 HA VAL 14 -1.741 12.662 2.570 96 HB VAL 14 HB VAL 14 -1.850 12.914 0.109 97 1HG1 VAL 14 HG11 VAL 14 0.392 11.401 1.392 98 2HG1 VAL 14 HG12 VAL 14 0.315 13.098 0.924 99 3HG1 VAL 14 HG13 VAL 14 0.471 11.850 -0.312 100 1HG2 VAL 14 HG21 VAL 14 -2.907 10.995 -0.689 101 2HG2 VAL 14 HG22 VAL 14 -1.847 9.917 0.219 102 3HG2 VAL 14 HG23 VAL 14 -1.230 10.781 -1.189 103 H THR 15 HN THR 15 -3.535 13.929 2.196 104 HA THR 15 HA THR 15 -6.080 12.531 2.239 105 HB THR 15 HB THR 15 -5.367 15.453 2.551 106 HG1 THR 15 HG1 THR 15 -6.190 13.461 4.388 107 1HG2 THR 15 HG21 THR 15 -7.938 14.821 3.602 108 2HG2 THR 15 HG22 THR 15 -7.888 14.407 1.887 109 3HG2 THR 15 HG23 THR 15 -7.488 16.042 2.412 110 H CYS 16 HN CYS 16 -7.426 12.346 0.552 111 HA CYS 16 HA CYS 16 -6.595 13.486 -2.003 112 1HB CYS 16 HB2 CYS 16 -8.930 11.637 -1.548 113 2HB CYS 16 HB1 CYS 16 -8.031 11.904 -3.037 114 HA PRO 17 HA PRO 17 -10.013 16.415 -1.457 115 1HB PRO 17 HB2 PRO 17 -8.638 18.639 -1.961 116 2HB PRO 17 HB1 PRO 17 -8.411 17.748 -0.452 117 1HG PRO 17 HG2 PRO 17 -6.596 18.005 -2.757 118 2HG PRO 17 HG1 PRO 17 -6.229 17.548 -1.086 119 1HD PRO 17 HD2 PRO 17 -6.705 15.831 -3.398 120 2HD PRO 17 HD1 PRO 17 -6.098 15.392 -1.791 121 HA PRO 18 HA PRO 18 -9.602 17.209 -6.180 122 1HB PRO 18 HB2 PRO 18 -9.671 14.928 -7.564 123 2HB PRO 18 HB1 PRO 18 -8.152 15.555 -6.912 124 1HG PRO 18 HG2 PRO 18 -9.892 13.355 -5.887 125 2HG PRO 18 HG1 PRO 18 -8.124 13.458 -5.937 126 1HD PRO 18 HD2 PRO 18 -9.701 13.984 -3.707 127 2HD PRO 18 HD1 PRO 18 -8.028 14.524 -3.937 128 H GLY 19 HN GLY 19 -11.368 14.318 -5.101 129 1HA GLY 19 HA2 GLY 19 -13.923 15.554 -5.462 130 2HA GLY 19 HA1 GLY 19 -13.570 14.382 -6.730 131 H GLU 20 HN GLU 20 -12.509 12.298 -5.716 132 HA GLU 20 HA GLU 20 -14.409 11.341 -3.709 133 1HB GLU 20 HB2 GLU 20 -13.668 10.198 -6.022 134 2HB GLU 20 HB1 GLU 20 -12.471 9.483 -4.950 135 1HG GLU 20 HG2 GLU 20 -13.964 8.004 -4.274 136 2HG GLU 20 HG1 GLU 20 -14.976 9.308 -3.654 137 H ASN 21 HN ASN 21 -13.022 9.294 -2.579 138 HA ASN 21 HA ASN 21 -10.464 10.139 -1.602 139 1HB ASN 21 HB2 ASN 21 -12.470 10.022 0.601 140 2HB ASN 21 HB1 ASN 21 -10.951 10.901 0.516 141 1HD2 ASN 21 HD21 ASN 21 -14.234 10.839 -0.753 142 2HD2 ASN 21 HD22 ASN 21 -14.388 12.550 -0.942 143 H LEU 22 HN LEU 22 -11.938 7.791 -2.711 144 HA LEU 22 HA LEU 22 -12.230 5.887 -0.643 145 1HB LEU 22 HB2 LEU 22 -12.453 5.960 -3.523 146 2HB LEU 22 HB1 LEU 22 -11.696 4.472 -2.987 147 HG LEU 22 HG LEU 22 -13.592 3.944 -1.597 148 1HD1 LEU 22 HD11 LEU 22 -14.155 6.226 -0.909 149 2HD1 LEU 22 HD12 LEU 22 -15.567 5.348 -1.499 150 3HD1 LEU 22 HD13 LEU 22 -14.784 6.550 -2.526 151 1HD2 LEU 22 HD21 LEU 22 -14.369 4.786 -4.383 152 2HD2 LEU 22 HD22 LEU 22 -15.345 3.747 -3.344 153 3HD2 LEU 22 HD23 LEU 22 -13.752 3.213 -3.879 154 H CYS 23 HN CYS 23 -10.862 4.500 0.269 155 HA CYS 23 HA CYS 23 -8.039 4.535 -0.580 156 1HB CYS 23 HB2 CYS 23 -9.310 4.236 2.098 157 2HB CYS 23 HB1 CYS 23 -7.643 3.780 1.811 158 H TYR 24 HN TYR 24 -7.629 2.745 -1.744 159 HA TYR 24 HA TYR 24 -8.979 0.263 -0.979 160 1HB TYR 24 HB2 TYR 24 -8.386 -0.580 -3.172 161 2HB TYR 24 HB1 TYR 24 -9.123 1.010 -3.349 162 HD1 TYR 24 HD1 TYR 24 -7.719 2.971 -3.882 163 HD2 TYR 24 HD2 TYR 24 -6.099 -0.975 -3.821 164 HE1 TYR 24 HE1 TYR 24 -5.759 3.761 -5.122 165 HE2 TYR 24 HE2 TYR 24 -4.134 -0.176 -5.054 166 HH TYR 24 HH TYR 24 -2.969 2.322 -5.271 167 H ARG 25 HN ARG 25 -7.832 -1.703 -0.834 168 HA ARG 25 HA ARG 25 -4.969 -1.409 -0.207 169 1HB ARG 25 HB2 ARG 25 -5.757 -1.882 1.894 170 2HB ARG 25 HB1 ARG 25 -7.175 -2.723 1.296 171 1HG ARG 25 HG2 ARG 25 -6.104 -4.736 1.175 172 2HG ARG 25 HG1 ARG 25 -4.524 -4.004 0.897 173 1HD ARG 25 HD2 ARG 25 -5.997 -3.892 3.523 174 2HD ARG 25 HD1 ARG 25 -4.790 -5.111 3.121 175 HE ARG 25 HE ARG 25 -3.122 -3.488 3.244 176 1HH1 ARG 25 HH11 ARG 25 -6.281 -2.117 3.837 177 2HH1 ARG 25 HH12 ARG 25 -5.652 -0.633 4.461 178 1HH2 ARG 25 HH21 ARG 25 -2.300 -1.539 4.065 179 2HH2 ARG 25 HH22 ARG 25 -3.392 -0.297 4.581 180 H LYS 26 HN LYS 26 -4.416 -2.018 -2.350 181 HA LYS 26 HA LYS 26 -5.422 -4.382 -3.569 182 1HB LYS 26 HB2 LYS 26 -3.158 -2.502 -4.113 183 2HB LYS 26 HB1 LYS 26 -3.171 -4.053 -4.930 184 1HG LYS 26 HG2 LYS 26 -5.731 -2.695 -5.094 185 2HG LYS 26 HG1 LYS 26 -4.408 -1.751 -5.780 186 1HD LYS 26 HD2 LYS 26 -5.347 -3.130 -7.508 187 2HD LYS 26 HD1 LYS 26 -3.739 -3.739 -7.099 188 1HE LYS 26 HE2 LYS 26 -4.606 -5.730 -6.657 189 2HE LYS 26 HE1 LYS 26 -5.602 -5.007 -5.396 190 1HZ LYS 26 HZ1 LYS 26 -7.183 -4.402 -7.256 191 2HZ LYS 26 HZ2 LYS 26 -7.091 -6.044 -6.863 192 3HZ LYS 26 HZ3 LYS 26 -6.300 -5.456 -8.239 193 H MET 27 HN MET 27 -5.097 -6.348 -2.722 194 HA MET 27 HA MET 27 -2.370 -6.976 -1.845 195 1HB MET 27 HB2 MET 27 -4.816 -7.110 -0.344 196 2HB MET 27 HB1 MET 27 -4.120 -8.718 -0.487 197 1HG MET 27 HG2 MET 27 -2.113 -8.044 0.554 198 2HG MET 27 HG1 MET 27 -2.536 -6.338 0.425 199 1HE MET 27 HE1 MET 27 -3.275 -9.484 3.289 200 2HE MET 27 HE2 MET 27 -3.520 -9.676 1.554 201 3HE MET 27 HE3 MET 27 -4.902 -9.403 2.613 202 H TRP 28 HN TRP 28 -1.421 -8.581 -2.866 203 HA TRP 28 HA TRP 28 -3.058 -10.772 -3.920 204 1HB TRP 28 HB2 TRP 28 -2.079 -10.766 -6.091 205 2HB TRP 28 HB1 TRP 28 -2.718 -9.162 -5.783 206 HD1 TRP 28 HD1 TRP 28 0.678 -10.998 -5.923 207 HE1 TRP 28 HE1 TRP 28 2.470 -9.278 -6.610 208 HE3 TRP 28 HE3 TRP 28 -2.199 -6.803 -5.879 209 HZ2 TRP 28 HZ2 TRP 28 2.627 -6.484 -7.074 210 HZ3 TRP 28 HZ3 TRP 28 -1.171 -4.640 -6.453 211 HH2 TRP 28 HH2 TRP 28 1.196 -4.484 -7.033 212 H CYS 29 HN CYS 29 -1.030 -12.189 -5.205 213 HA CYS 29 HA CYS 29 0.573 -12.926 -2.854 214 1HB CYS 29 HB2 CYS 29 -1.040 -14.502 -4.379 215 2HB CYS 29 HB1 CYS 29 0.530 -14.807 -5.115 216 H ASP 30 HN ASP 30 2.590 -12.320 -2.786 217 HA ASP 30 HA ASP 30 4.222 -12.594 -5.187 218 1HB ASP 30 HB2 ASP 30 3.387 -10.166 -4.793 219 2HB ASP 30 HB1 ASP 30 4.589 -10.144 -3.506 220 H ALA 31 HN ALA 31 5.242 -14.312 -4.344 221 HA ALA 31 HA ALA 31 7.156 -15.161 -3.409 222 1HB ALA 31 HB1 ALA 31 7.462 -12.563 -2.637 223 2HB ALA 31 HB2 ALA 31 8.585 -13.879 -2.321 224 3HB ALA 31 HB3 ALA 31 7.390 -13.433 -1.111 225 H PHE 32 HN PHE 32 4.354 -14.219 -1.400 226 HA PHE 32 HA PHE 32 4.968 -16.121 0.646 227 1HB PHE 32 HB2 PHE 32 3.063 -14.212 0.485 228 2HB PHE 32 HB1 PHE 32 2.109 -15.608 0.034 229 HD1 PHE 32 HD1 PHE 32 0.708 -15.754 1.925 230 HD2 PHE 32 HD2 PHE 32 4.934 -15.607 2.414 231 HE1 PHE 32 HE1 PHE 32 0.449 -16.351 4.298 232 HE2 PHE 32 HE2 PHE 32 4.682 -16.206 4.790 233 HZ PHE 32 HZ PHE 32 2.438 -16.578 5.734 234 H CYS 33 HN CYS 33 3.460 -16.118 -2.450 235 HA CYS 33 HA CYS 33 2.559 -18.837 -2.335 236 1HB CYS 33 HB2 CYS 33 2.723 -16.691 -4.436 237 2HB CYS 33 HB1 CYS 33 2.461 -18.363 -4.931 238 H SER 34 HN SER 34 5.291 -16.966 -3.381 239 HA SER 34 HA SER 34 6.713 -19.287 -4.402 240 1HB SER 34 HB2 SER 34 6.775 -16.496 -4.947 241 2HB SER 34 HB1 SER 34 8.360 -16.949 -4.322 242 HG SER 34 HG SER 34 7.228 -17.507 -6.723 243 H SER 35 HN SER 35 7.916 -16.597 -2.389 244 HA SER 35 HA SER 35 8.818 -18.528 -0.386 245 1HB SER 35 HB2 SER 35 11.094 -17.543 -0.382 246 2HB SER 35 HB1 SER 35 10.685 -18.357 -1.892 247 HG SER 35 HG SER 35 10.592 -16.465 -2.911 248 H ARG 36 HN ARG 36 8.818 -14.983 -1.077 249 HA ARG 36 HA ARG 36 9.165 -14.369 1.684 250 1HB ARG 36 HB2 ARG 36 8.255 -12.248 -0.210 251 2HB ARG 36 HB1 ARG 36 9.356 -12.146 1.144 252 1HG ARG 36 HG2 ARG 36 10.691 -13.833 -0.531 253 2HG ARG 36 HG1 ARG 36 9.879 -12.747 -1.660 254 1HD ARG 36 HD2 ARG 36 11.299 -11.106 -1.207 255 2HD ARG 36 HD1 ARG 36 10.990 -11.247 0.522 256 HE ARG 36 HE ARG 36 12.664 -13.288 0.110 257 1HH1 ARG 36 HH11 ARG 36 12.828 -9.953 -0.911 258 2HH1 ARG 36 HH12 ARG 36 14.559 -9.908 -0.907 259 1HH2 ARG 36 HH21 ARG 36 14.938 -13.228 0.116 260 2HH2 ARG 36 HH22 ARG 36 15.757 -11.767 -0.324 261 H GLY 37 HN GLY 37 6.526 -12.619 -0.043 262 1HA GLY 37 HA2 GLY 37 4.577 -13.876 1.691 263 2HA GLY 37 HA1 GLY 37 4.989 -12.242 2.144 264 H LYS 38 HN LYS 38 2.790 -11.697 1.844 265 HA LYS 38 HA LYS 38 1.678 -11.857 -0.829 266 1HB LYS 38 HB2 LYS 38 0.682 -11.375 1.873 267 2HB LYS 38 HB1 LYS 38 -0.019 -10.277 0.695 268 1HG LYS 38 HG2 LYS 38 -1.337 -12.342 1.090 269 2HG LYS 38 HG1 LYS 38 -0.876 -12.094 -0.593 270 1HD LYS 38 HD2 LYS 38 0.809 -13.751 -0.474 271 2HD LYS 38 HD1 LYS 38 0.719 -13.818 1.288 272 1HE LYS 38 HE2 LYS 38 -0.384 -15.716 -0.011 273 2HE LYS 38 HE1 LYS 38 -1.339 -14.940 1.251 274 1HZ LYS 38 HZ1 LYS 38 -2.492 -13.663 -0.408 275 2HZ LYS 38 HZ2 LYS 38 -2.591 -15.302 -0.813 276 3HZ LYS 38 HZ3 LYS 38 -1.519 -14.290 -1.641 277 H VAL 39 HN VAL 39 0.504 -9.693 -1.519 278 HA VAL 39 HA VAL 39 2.540 -7.573 -1.318 279 HB VAL 39 HB VAL 39 0.917 -8.539 -3.613 280 1HG1 VAL 39 HG11 VAL 39 1.631 -6.161 -4.613 281 2HG1 VAL 39 HG12 VAL 39 1.308 -5.669 -2.963 282 3HG1 VAL 39 HG13 VAL 39 0.045 -6.455 -3.908 283 1HG2 VAL 39 HG21 VAL 39 3.467 -8.768 -3.086 284 2HG2 VAL 39 HG22 VAL 39 3.548 -7.132 -3.734 285 3HG2 VAL 39 HG23 VAL 39 2.932 -8.444 -4.734 286 H VAL 40 HN VAL 40 2.020 -5.560 -0.939 287 HA VAL 40 HA VAL 40 -0.770 -4.860 -0.375 288 HB VAL 40 HB VAL 40 1.415 -3.719 1.331 289 1HG1 VAL 40 HG11 VAL 40 -0.796 -4.076 2.879 290 2HG1 VAL 40 HG12 VAL 40 -1.511 -3.814 1.288 291 3HG1 VAL 40 HG13 VAL 40 -0.421 -2.610 1.973 292 1HG2 VAL 40 HG21 VAL 40 0.584 -6.503 1.339 293 2HG2 VAL 40 HG22 VAL 40 0.316 -5.713 2.892 294 3HG2 VAL 40 HG23 VAL 40 1.925 -5.725 2.177 295 H GLU 41 HN GLU 41 -1.285 -3.371 -1.759 296 HA GLU 41 HA GLU 41 0.562 -1.152 -2.323 297 1HB GLU 41 HB2 GLU 41 0.631 -2.632 -4.235 298 2HB GLU 41 HB1 GLU 41 -1.122 -2.736 -4.273 299 1HG GLU 41 HG2 GLU 41 -0.146 -1.302 -6.031 300 2HG GLU 41 HG1 GLU 41 -1.318 -0.484 -4.999 301 H LEU 42 HN LEU 42 -0.669 0.044 -0.745 302 HA LEU 42 HA LEU 42 -3.499 0.408 -1.111 303 1HB LEU 42 HB2 LEU 42 -1.919 2.300 0.550 304 2HB LEU 42 HB1 LEU 42 -3.488 1.584 0.855 305 HG LEU 42 HG LEU 42 -0.848 0.164 1.105 306 1HD1 LEU 42 HD11 LEU 42 -0.978 1.699 2.879 307 2HD1 LEU 42 HD12 LEU 42 -1.482 0.146 3.541 308 3HD1 LEU 42 HD13 LEU 42 -2.689 1.364 3.138 309 1HD2 LEU 42 HD21 LEU 42 -2.146 -1.646 2.094 310 2HD2 LEU 42 HD22 LEU 42 -2.664 -1.328 0.439 311 3HD2 LEU 42 HD23 LEU 42 -3.634 -0.749 1.793 312 H GLY 43 HN GLY 43 -4.531 2.451 -1.539 313 1HA GLY 43 HA2 GLY 43 -3.060 4.657 -2.596 314 2HA GLY 43 HA1 GLY 43 -3.752 3.679 -3.879 315 H CYS 44 HN CYS 44 -4.785 5.863 -4.236 316 HA CYS 44 HA CYS 44 -7.287 6.034 -2.692 317 1HB CYS 44 HB2 CYS 44 -5.567 7.957 -2.487 318 2HB CYS 44 HB1 CYS 44 -6.057 8.379 -4.124 319 H ALA 45 HN ALA 45 -9.096 5.683 -3.847 320 HA ALA 45 HA ALA 45 -8.979 6.112 -6.756 321 1HB ALA 45 HB1 ALA 45 -10.556 3.916 -5.437 322 2HB ALA 45 HB2 ALA 45 -8.923 3.689 -6.061 323 3HB ALA 45 HB3 ALA 45 -10.230 4.140 -7.156 324 H ALA 46 HN ALA 46 -11.423 5.900 -7.574 325 HA ALA 46 HA ALA 46 -13.220 7.318 -5.776 326 1HB ALA 46 HB1 ALA 46 -12.348 8.356 -8.459 327 2HB ALA 46 HB2 ALA 46 -12.132 9.120 -6.883 328 3HB ALA 46 HB3 ALA 46 -13.747 8.963 -7.574 329 H THR 47 HN THR 47 -12.802 4.744 -7.610 330 HA THR 47 HA THR 47 -15.587 4.283 -7.973 331 HB THR 47 HB THR 47 -15.137 5.625 -9.987 332 HG1 THR 47 HG1 THR 47 -15.905 4.070 -11.485 333 1HG2 THR 47 HG21 THR 47 -13.707 3.801 -11.584 334 2HG2 THR 47 HG22 THR 47 -12.753 4.084 -10.127 335 3HG2 THR 47 HG23 THR 47 -13.260 5.445 -11.128 336 H CYS 48 HN CYS 48 -13.664 3.006 -6.469 337 HA CYS 48 HA CYS 48 -12.201 0.932 -7.355 338 1HB CYS 48 HB2 CYS 48 -12.438 1.383 -5.001 339 2HB CYS 48 HB1 CYS 48 -14.137 0.927 -5.036 340 HA PRO 49 HA PRO 49 -15.436 -1.437 -9.518 341 1HB PRO 49 HB2 PRO 49 -13.982 -2.145 -11.632 342 2HB PRO 49 HB1 PRO 49 -14.562 -0.485 -11.456 343 1HG PRO 49 HG2 PRO 49 -11.839 -1.603 -10.983 344 2HG PRO 49 HG1 PRO 49 -12.307 -0.035 -11.661 345 1HD PRO 49 HD2 PRO 49 -11.533 -0.529 -9.009 346 2HD PRO 49 HD1 PRO 49 -12.334 0.935 -9.609 347 H SER 50 HN SER 50 -14.726 -3.712 -10.905 348 HA SER 50 HA SER 50 -14.547 -5.684 -8.986 349 1HB SER 50 HB2 SER 50 -13.530 -5.940 -11.826 350 2HB SER 50 HB1 SER 50 -14.098 -7.245 -10.785 351 HG SER 50 HG SER 50 -16.147 -5.989 -10.758 352 H LYS 51 HN LYS 51 -12.938 -5.153 -7.503 353 HA LYS 51 HA LYS 51 -10.170 -5.132 -8.372 354 1HB LYS 51 HB2 LYS 51 -9.872 -4.816 -5.782 355 2HB LYS 51 HB1 LYS 51 -10.369 -3.483 -6.809 356 1HG LYS 51 HG2 LYS 51 -11.705 -3.514 -4.806 357 2HG LYS 51 HG1 LYS 51 -12.715 -3.919 -6.189 358 1HD LYS 51 HD2 LYS 51 -12.753 -6.212 -5.617 359 2HD LYS 51 HD1 LYS 51 -11.441 -6.017 -4.452 360 1HE LYS 51 HE2 LYS 51 -12.842 -4.812 -2.956 361 2HE LYS 51 HE1 LYS 51 -14.116 -4.665 -4.166 362 1HZ LYS 51 HZ1 LYS 51 -13.302 -7.371 -3.470 363 2HZ LYS 51 HZ2 LYS 51 -14.844 -6.750 -3.782 364 3HZ LYS 51 HZ3 LYS 51 -14.127 -6.511 -2.269 365 H LYS 52 HN LYS 52 -12.320 -7.468 -7.474 366 HA LYS 52 HA LYS 52 -10.397 -9.102 -6.047 367 1HB LYS 52 HB2 LYS 52 -12.627 -9.092 -5.179 368 2HB LYS 52 HB1 LYS 52 -13.284 -9.587 -6.731 369 1HG LYS 52 HG2 LYS 52 -13.128 -11.384 -4.978 370 2HG LYS 52 HG1 LYS 52 -12.384 -11.759 -6.533 371 1HD LYS 52 HD2 LYS 52 -10.205 -10.889 -5.450 372 2HD LYS 52 HD1 LYS 52 -11.063 -11.080 -3.924 373 1HE LYS 52 HE2 LYS 52 -9.578 -13.011 -4.853 374 2HE LYS 52 HE1 LYS 52 -11.130 -13.374 -4.097 375 1HZ LYS 52 HZ1 LYS 52 -10.649 -14.531 -6.260 376 2HZ LYS 52 HZ2 LYS 52 -10.820 -13.032 -7.024 377 3HZ LYS 52 HZ3 LYS 52 -12.127 -13.707 -6.188 378 HA PRO 53 HA PRO 53 -11.197 -11.141 -10.594 379 1HB PRO 53 HB2 PRO 53 -9.026 -9.224 -11.365 380 2HB PRO 53 HB1 PRO 53 -10.262 -9.985 -12.376 381 1HG PRO 53 HG2 PRO 53 -10.571 -7.479 -11.583 382 2HG PRO 53 HG1 PRO 53 -11.952 -8.592 -11.587 383 1HD PRO 53 HD2 PRO 53 -10.367 -7.550 -9.301 384 2HD PRO 53 HD1 PRO 53 -12.084 -7.990 -9.374 385 H TYR 54 HN TYR 54 -8.525 -10.107 -8.581 386 HA TYR 54 HA TYR 54 -7.402 -12.757 -8.641 387 1HB TYR 54 HB2 TYR 54 -6.231 -12.144 -10.557 388 2HB TYR 54 HB1 TYR 54 -6.088 -10.467 -10.051 389 HD1 TYR 54 HD1 TYR 54 -3.765 -10.227 -10.451 390 HD2 TYR 54 HD2 TYR 54 -5.143 -13.349 -7.911 391 HE1 TYR 54 HE1 TYR 54 -1.457 -10.643 -9.716 392 HE2 TYR 54 HE2 TYR 54 -2.841 -13.773 -7.173 393 HH TYR 54 HH TYR 54 -0.718 -12.759 -7.075 394 H GLU 55 HN GLU 55 -7.025 -9.377 -7.698 395 HA GLU 55 HA GLU 55 -5.570 -10.261 -5.323 396 1HB GLU 55 HB2 GLU 55 -5.920 -7.385 -6.064 397 2HB GLU 55 HB1 GLU 55 -4.605 -8.154 -5.189 398 1HG GLU 55 HG2 GLU 55 -3.514 -7.897 -7.128 399 2HG GLU 55 HG1 GLU 55 -4.362 -9.379 -7.569 400 H GLU 56 HN GLU 56 -6.162 -9.646 -3.265 401 HA GLU 56 HA GLU 56 -9.000 -9.044 -2.938 402 1HB GLU 56 HB2 GLU 56 -7.578 -10.926 -1.707 403 2HB GLU 56 HB1 GLU 56 -7.189 -9.596 -0.624 404 1HG GLU 56 HG2 GLU 56 -9.029 -10.254 0.459 405 2HG GLU 56 HG1 GLU 56 -9.871 -9.333 -0.787 406 H VAL 57 HN VAL 57 -9.362 -6.900 -3.009 407 HA VAL 57 HA VAL 57 -7.489 -5.194 -1.534 408 HB VAL 57 HB VAL 57 -7.551 -3.599 -3.121 409 1HG1 VAL 57 HG11 VAL 57 -8.631 -5.850 -4.809 410 2HG1 VAL 57 HG12 VAL 57 -6.957 -5.705 -4.278 411 3HG1 VAL 57 HG13 VAL 57 -7.652 -4.488 -5.351 412 1HG2 VAL 57 HG21 VAL 57 -9.569 -3.194 -4.601 413 2HG2 VAL 57 HG22 VAL 57 -9.779 -2.863 -2.882 414 3HG2 VAL 57 HG23 VAL 57 -10.426 -4.348 -3.579 415 H THR 58 HN THR 58 -8.167 -3.722 -0.108 416 HA THR 58 HA THR 58 -10.992 -3.901 0.691 417 HB THR 58 HB THR 58 -9.208 -2.451 2.496 418 HG1 THR 58 HG1 THR 58 -8.103 -4.355 3.164 419 1HG2 THR 58 HG21 THR 58 -11.296 -4.524 2.675 420 2HG2 THR 58 HG22 THR 58 -11.049 -3.067 3.637 421 3HG2 THR 58 HG23 THR 58 -10.076 -4.506 3.948 422 H CYS 59 HN CYS 59 -12.067 -2.399 -0.453 423 HA CYS 59 HA CYS 59 -10.918 0.256 -0.796 424 1HB CYS 59 HB2 CYS 59 -13.316 -1.114 -1.999 425 2HB CYS 59 HB1 CYS 59 -12.999 0.602 -2.230 426 H CYS 60 HN CYS 60 -11.294 1.771 0.622 427 HA CYS 60 HA CYS 60 -13.912 1.888 1.952 428 1HB CYS 60 HB2 CYS 60 -12.696 2.671 4.004 429 2HB CYS 60 HB1 CYS 60 -12.392 0.995 3.565 430 H SER 61 HN SER 61 -13.561 4.306 3.350 431 HA SER 61 HA SER 61 -12.593 6.245 1.404 432 1HB SER 61 HB2 SER 61 -14.638 7.290 0.940 433 2HB SER 61 HB1 SER 61 -15.004 5.567 0.839 434 HG SER 61 HG SER 61 -16.100 5.670 2.698 435 H THR 62 HN THR 62 -12.473 5.457 4.484 436 HA THR 62 HA THR 62 -12.866 8.202 5.459 437 HB THR 62 HB THR 62 -12.680 7.090 7.750 438 HG1 THR 62 HG1 THR 62 -13.245 4.783 6.208 439 1HG2 THR 62 HG21 THR 62 -14.970 6.721 5.886 440 2HG2 THR 62 HG22 THR 62 -14.821 7.775 7.292 441 3HG2 THR 62 HG23 THR 62 -15.029 6.037 7.510 442 H ASP 63 HN ASP 63 -11.282 9.120 6.938 443 HA ASP 63 HA ASP 63 -8.735 9.206 6.023 444 1HB ASP 63 HB2 ASP 63 -9.544 9.576 8.911 445 2HB ASP 63 HB1 ASP 63 -8.108 10.238 8.138 446 H LYS 64 HN LYS 64 -6.932 8.113 6.185 447 HA LYS 64 HA LYS 64 -5.606 6.248 6.445 448 1HB LYS 64 HB2 LYS 64 -6.448 6.774 9.295 449 2HB LYS 64 HB1 LYS 64 -5.148 5.684 8.841 450 1HG LYS 64 HG2 LYS 64 -3.893 7.513 9.214 451 2HG LYS 64 HG1 LYS 64 -4.347 7.887 7.548 452 1HD LYS 64 HD2 LYS 64 -5.769 9.536 8.166 453 2HD LYS 64 HD1 LYS 64 -6.216 8.735 9.669 454 1HE LYS 64 HE2 LYS 64 -3.448 9.799 9.362 455 2HE LYS 64 HE1 LYS 64 -4.764 10.927 9.686 456 1HZ LYS 64 HZ1 LYS 64 -3.706 8.775 11.386 457 2HZ LYS 64 HZ2 LYS 64 -5.319 9.250 11.564 458 3HZ LYS 64 HZ3 LYS 64 -4.076 10.375 11.790 459 H CYS 65 HN CYS 65 -8.468 5.659 5.924 460 HA CYS 65 HA CYS 65 -9.163 3.421 7.543 461 1HB CYS 65 HB2 CYS 65 -11.001 3.078 6.045 462 2HB CYS 65 HB1 CYS 65 -10.824 4.807 6.310 463 H ASN 66 HN ASN 66 -6.850 3.806 5.127 464 HA ASN 66 HA ASN 66 -6.966 0.952 4.443 465 1HB ASN 66 HB2 ASN 66 -5.253 1.615 2.666 466 2HB ASN 66 HB1 ASN 66 -6.899 2.185 2.431 467 1HD2 ASN 66 HD21 ASN 66 -4.340 3.186 1.427 468 2HD2 ASN 66 HD22 ASN 66 -4.261 4.841 1.911 469 HA PRO 67 HA PRO 67 -3.242 1.387 7.207 470 1HB PRO 67 HB2 PRO 67 -4.018 0.156 9.387 471 2HB PRO 67 HB1 PRO 67 -4.715 1.748 9.021 472 1HG PRO 67 HG2 PRO 67 -5.861 -0.970 8.450 473 2HG PRO 67 HG1 PRO 67 -6.629 0.388 9.302 474 1HD PRO 67 HD2 PRO 67 -7.007 -0.097 6.639 475 2HD PRO 67 HD1 PRO 67 -7.056 1.528 7.351 476 H HIS 68 HN HIS 68 -1.705 -0.256 7.619 477 HA HIS 68 HA HIS 68 -1.882 -2.496 5.917 478 1HB HIS 68 HB2 HIS 68 0.164 -1.216 7.354 479 2HB HIS 68 HB1 HIS 68 0.164 -2.891 7.901 480 HD1 HIS 68 HD1 HIS 68 0.273 -0.931 4.662 481 HD2 HIS 68 HD2 HIS 68 1.388 -4.634 6.181 482 HE1 HIS 68 HE1 HIS 68 1.480 -2.083 2.797 483 HE2 HIS 68 HE2 HIS 68 2.044 -4.367 3.704 484 HA PRO 69 HA PRO 69 -3.895 -5.501 8.428 485 1HB PRO 69 HB2 PRO 69 -3.037 -7.754 7.159 486 2HB PRO 69 HB1 PRO 69 -4.293 -6.690 6.519 487 1HG PRO 69 HG2 PRO 69 -1.423 -6.910 5.757 488 2HG PRO 69 HG1 PRO 69 -2.837 -6.588 4.741 489 1HD PRO 69 HD2 PRO 69 -1.078 -4.662 5.589 490 2HD PRO 69 HD1 PRO 69 -2.765 -4.345 5.147 491 H LYS 70 HN LYS 70 -0.749 -6.928 7.484 492 HA LYS 70 HA LYS 70 -0.407 -8.146 10.025 493 1HB LYS 70 HB2 LYS 70 1.052 -8.035 7.488 494 2HB LYS 70 HB1 LYS 70 2.100 -8.149 8.895 495 1HG LYS 70 HG2 LYS 70 -0.122 -10.044 8.162 496 2HG LYS 70 HG1 LYS 70 1.609 -10.351 8.040 497 1HD LYS 70 HD2 LYS 70 0.028 -9.898 10.570 498 2HD LYS 70 HD1 LYS 70 0.739 -11.417 10.024 499 1HE LYS 70 HE2 LYS 70 2.971 -10.133 10.058 500 2HE LYS 70 HE1 LYS 70 2.109 -8.955 11.046 501 1HZ LYS 70 HZ1 LYS 70 3.388 -10.916 12.149 502 2HZ LYS 70 HZ2 LYS 70 1.989 -11.793 11.788 503 3HZ LYS 70 HZ3 LYS 70 1.895 -10.421 12.772 504 H GLN 71 HN GLN 71 0.622 -5.145 8.585 505 HA GLN 71 HA GLN 71 2.291 -4.518 10.904 506 1HB GLN 71 HB2 GLN 71 2.128 -3.568 8.116 507 2HB GLN 71 HB1 GLN 71 2.477 -2.325 9.313 508 1HG GLN 71 HG2 GLN 71 4.249 -4.022 10.158 509 2HG GLN 71 HG1 GLN 71 4.074 -4.719 8.547 510 1HE2 GLN 71 HE21 GLN 71 5.636 -4.067 7.265 511 2HE2 GLN 71 HE22 GLN 71 6.315 -2.479 7.202 512 H ARG 72 HN ARG 72 1.168 -3.777 12.578 513 HA ARG 72 HA ARG 72 -0.006 -1.288 12.654 514 1HB ARG 72 HB2 ARG 72 -1.984 -1.615 11.636 515 2HB ARG 72 HB1 ARG 72 -1.801 -3.362 11.661 516 1HG ARG 72 HG2 ARG 72 -2.644 -3.444 13.926 517 2HG ARG 72 HG1 ARG 72 -2.760 -1.685 13.969 518 1HD ARG 72 HD2 ARG 72 -4.938 -2.727 13.538 519 2HD ARG 72 HD1 ARG 72 -4.410 -1.726 12.186 520 HE ARG 72 HE ARG 72 -3.714 -4.504 11.917 521 1HH1 ARG 72 HH11 ARG 72 -6.188 -2.104 11.366 522 2HH1 ARG 72 HH12 ARG 72 -6.949 -3.000 10.095 523 1HH2 ARG 72 HH21 ARG 72 -4.714 -5.683 10.245 524 2HH2 ARG 72 HH22 ARG 72 -6.114 -5.032 9.459 525 HA PRO 73 HA PRO 73 -0.978 -3.599 16.715 526 1HB PRO 73 HB2 PRO 73 -0.867 -6.269 16.851 527 2HB PRO 73 HB1 PRO 73 -2.278 -5.438 16.189 528 1HG PRO 73 HG2 PRO 73 -0.042 -6.807 14.760 529 2HG PRO 73 HG1 PRO 73 -1.774 -6.798 14.385 530 1HD PRO 73 HD2 PRO 73 0.125 -5.216 13.143 531 2HD PRO 73 HD1 PRO 73 -1.612 -4.868 13.185 532 H GLY 74 HN GLY 74 0.842 -2.827 17.681 533 1HA GLY 74 HA2 GLY 74 3.386 -4.196 17.306 534 2HA GLY 74 HA1 GLY 74 3.130 -2.695 18.182 535 1H GLU 180 HT1 GLU 180 16.174 13.345 2.485 536 2H GLU 180 HT2 GLU 180 14.535 13.498 2.969 537 3H GLU 180 HT3 GLU 180 15.616 14.817 3.162 538 HA GLU 180 HA GLU 180 14.029 14.930 1.269 539 1HB GLU 180 HB2 GLU 180 16.011 16.346 1.520 540 2HB GLU 180 HB1 GLU 180 17.017 15.091 0.808 541 1HG GLU 180 HG2 GLU 180 15.677 15.303 -1.281 542 2HG GLU 180 HG1 GLU 180 14.857 16.682 -0.551 543 H GLU 181 HN GLU 181 13.109 13.787 -0.298 544 HA GLU 181 HA GLU 181 14.134 11.219 -1.053 545 1HB GLU 181 HB2 GLU 181 11.861 12.710 -2.361 546 2HB GLU 181 HB1 GLU 181 12.136 10.974 -2.340 547 1HG GLU 181 HG2 GLU 181 11.399 10.743 -0.177 548 2HG GLU 181 HG1 GLU 181 11.755 12.420 0.237 549 H ARG 182 HN ARG 182 14.938 10.560 -3.035 550 HA ARG 182 HA ARG 182 16.574 12.357 -4.422 551 1HB ARG 182 HB2 ARG 182 15.547 9.772 -5.583 552 2HB ARG 182 HB1 ARG 182 17.088 10.563 -5.888 553 1HG ARG 182 HG2 ARG 182 17.102 10.126 -3.159 554 2HG ARG 182 HG1 ARG 182 16.344 8.677 -3.820 555 1HD ARG 182 HD2 ARG 182 18.777 8.435 -3.646 556 2HD ARG 182 HD1 ARG 182 18.227 8.347 -5.319 557 HE ARG 182 HE ARG 182 18.870 10.951 -5.037 558 1HH1 ARG 182 HH11 ARG 182 20.595 8.001 -4.324 559 2HH1 ARG 182 HH12 ARG 182 22.154 8.696 -4.612 560 1HH2 ARG 182 HH21 ARG 182 20.921 11.866 -5.416 561 2HH2 ARG 182 HH22 ARG 182 22.340 10.890 -5.231 562 H GLY 183 HN GLY 183 13.584 10.769 -5.567 563 1HA GLY 183 HA2 GLY 183 13.025 13.175 -7.158 564 2HA GLY 183 HA1 GLY 183 13.051 11.613 -7.961 565 H TRP 184 HN TRP 184 11.475 10.021 -7.334 566 HA TRP 184 HA TRP 184 8.985 11.270 -6.376 567 1HB TRP 184 HB2 TRP 184 7.950 9.201 -7.527 568 2HB TRP 184 HB1 TRP 184 8.631 10.450 -8.553 569 HD1 TRP 184 HD1 TRP 184 9.989 9.540 -10.436 570 HE1 TRP 184 HE1 TRP 184 11.443 7.466 -10.878 571 HE3 TRP 184 HE3 TRP 184 9.562 7.239 -5.861 572 HZ2 TRP 184 HZ2 TRP 184 12.293 5.179 -9.489 573 HZ3 TRP 184 HZ3 TRP 184 10.730 5.114 -5.529 574 HH2 TRP 184 HH2 TRP 184 12.067 4.101 -7.297 575 H LYS 185 HN LYS 185 7.593 8.859 -5.857 576 HA LYS 185 HA LYS 185 9.152 7.617 -3.726 577 1HB LYS 185 HB2 LYS 185 7.843 8.309 -2.064 578 2HB LYS 185 HB1 LYS 185 7.345 9.558 -3.177 579 1HG LYS 185 HG2 LYS 185 5.611 7.549 -3.773 580 2HG LYS 185 HG1 LYS 185 5.843 7.340 -2.037 581 1HD LYS 185 HD2 LYS 185 4.748 9.209 -1.546 582 2HD LYS 185 HD1 LYS 185 5.502 10.109 -2.862 583 1HE LYS 185 HE2 LYS 185 3.490 10.060 -3.838 584 2HE LYS 185 HE1 LYS 185 3.843 8.368 -4.188 585 1HZ LYS 185 HZ1 LYS 185 2.448 7.646 -2.576 586 2HZ LYS 185 HZ2 LYS 185 1.674 9.112 -2.912 587 3HZ LYS 185 HZ3 LYS 185 2.700 8.986 -1.574 588 H HIS 186 HN HIS 186 9.086 5.498 -3.743 589 HA HIS 186 HA HIS 186 6.766 4.079 -4.847 590 1HB HIS 186 HB2 HIS 186 8.471 4.362 -6.659 591 2HB HIS 186 HB1 HIS 186 9.602 3.438 -5.677 592 HD1 HIS 186 HD1 HIS 186 8.330 0.982 -4.893 593 HD2 HIS 186 HD2 HIS 186 7.342 2.770 -8.511 594 HE1 HIS 186 HE1 HIS 186 7.336 -0.851 -6.299 595 HE2 HIS 186 HE2 HIS 186 6.827 0.236 -8.514 596 H TRP 187 HN TRP 187 6.213 2.305 -3.686 597 HA TRP 187 HA TRP 187 8.172 1.242 -1.736 598 1HB TRP 187 HB2 TRP 187 5.506 2.296 -1.327 599 2HB TRP 187 HB1 TRP 187 5.605 0.642 -0.774 600 HD1 TRP 187 HD1 TRP 187 6.276 4.102 0.268 601 HE1 TRP 187 HE1 TRP 187 7.436 4.180 2.529 602 HE3 TRP 187 HE3 TRP 187 7.625 -0.821 0.681 603 HZ2 TRP 187 HZ2 TRP 187 8.709 2.386 4.308 604 HZ3 TRP 187 HZ3 TRP 187 8.827 -1.528 2.671 605 HH2 TRP 187 HH2 TRP 187 9.346 0.038 4.469 606 H VAL 188 HN VAL 188 6.964 -0.807 -0.780 607 HA VAL 188 HA VAL 188 5.592 -2.548 -2.520 608 HB VAL 188 HB VAL 188 8.261 -3.691 -1.827 609 1HG1 VAL 188 HG11 VAL 188 7.527 -5.362 -3.080 610 2HG1 VAL 188 HG12 VAL 188 7.264 -4.287 -4.451 611 3HG1 VAL 188 HG13 VAL 188 5.995 -4.505 -3.248 612 1HG2 VAL 188 HG21 VAL 188 8.821 -1.537 -2.912 613 2HG2 VAL 188 HG22 VAL 188 7.892 -2.046 -4.323 614 3HG2 VAL 188 HG23 VAL 188 9.329 -2.944 -3.843 615 H TYR 189 HN TYR 189 4.260 -2.604 -0.598 616 HA TYR 189 HA TYR 189 5.536 -3.662 1.814 617 1HB TYR 189 HB2 TYR 189 2.977 -2.231 1.213 618 2HB TYR 189 HB1 TYR 189 3.092 -3.226 2.655 619 HD1 TYR 189 HD1 TYR 189 5.939 -2.625 3.431 620 HD2 TYR 189 HD2 TYR 189 2.797 -0.118 2.098 621 HE1 TYR 189 HE1 TYR 189 6.943 -0.721 4.608 622 HE2 TYR 189 HE2 TYR 189 3.786 1.793 3.262 623 HH TYR 189 HH TYR 189 6.327 1.428 5.522 624 H TYR 190 HN TYR 190 5.383 -5.747 2.343 625 HA TYR 190 HA TYR 190 3.395 -7.371 0.912 626 1HB TYR 190 HB2 TYR 190 5.993 -8.173 2.237 627 2HB TYR 190 HB1 TYR 190 4.868 -9.300 1.490 628 HD1 TYR 190 HD1 TYR 190 4.562 -6.615 -0.562 629 HD2 TYR 190 HD2 TYR 190 7.479 -9.514 0.515 630 HE1 TYR 190 HE1 TYR 190 5.670 -6.284 -2.712 631 HE2 TYR 190 HE2 TYR 190 8.605 -9.197 -1.644 632 HH TYR 190 HH TYR 190 8.143 -8.382 -3.859 633 H THR 191 HN THR 191 2.001 -8.734 1.979 634 HA THR 191 HA THR 191 1.712 -8.227 4.836 635 HB THR 191 HB THR 191 -0.461 -8.785 4.683 636 HG1 THR 191 HG1 THR 191 -1.232 -10.566 3.620 637 1HG2 THR 191 HG21 THR 191 -0.661 -7.284 2.964 638 2HG2 THR 191 HG22 THR 191 -1.388 -8.735 2.280 639 3HG2 THR 191 HG23 THR 191 0.256 -8.285 1.840 640 H CYS 192 HN CYS 192 2.180 -9.626 6.366 641 HA CYS 192 HA CYS 192 2.134 -12.248 6.708 642 1HB CYS 192 HB2 CYS 192 3.924 -13.428 5.711 643 2HB CYS 192 HB1 CYS 192 3.354 -12.425 4.389 644 H CYS 193 HN CYS 193 4.519 -9.744 6.439 645 HA CYS 193 HA CYS 193 5.375 -10.226 9.186 646 1HB CYS 193 HB2 CYS 193 7.436 -9.957 7.034 647 2HB CYS 193 HB1 CYS 193 7.538 -10.806 8.574 648 HA PRO 194 HA PRO 194 5.666 -5.782 8.882 649 1HB PRO 194 HB2 PRO 194 5.616 -5.257 11.460 650 2HB PRO 194 HB1 PRO 194 4.228 -6.054 10.704 651 1HG PRO 194 HG2 PRO 194 6.419 -7.246 12.353 652 2HG PRO 194 HG1 PRO 194 4.680 -7.581 12.394 653 1HD PRO 194 HD2 PRO 194 6.603 -9.071 11.009 654 2HD PRO 194 HD1 PRO 194 4.849 -9.136 10.742 655 H ASP 195 HN ASP 195 8.143 -7.835 9.413 656 HA ASP 195 HA ASP 195 9.998 -5.675 10.176 657 1HB ASP 195 HB2 ASP 195 10.160 -8.636 10.754 658 2HB ASP 195 HB1 ASP 195 11.505 -7.524 10.995 659 H THR 196 HN THR 196 8.956 -6.856 7.505 660 HA THR 196 HA THR 196 11.594 -6.908 6.242 661 HB THR 196 HB THR 196 10.752 -8.739 4.706 662 HG1 THR 196 HG1 THR 196 8.570 -8.681 5.195 663 1HG2 THR 196 HG21 THR 196 11.857 -10.240 5.906 664 2HG2 THR 196 HG22 THR 196 10.717 -10.129 7.248 665 3HG2 THR 196 HG23 THR 196 12.043 -8.973 7.118 666 HA PRO 197 HA PRO 197 8.557 -4.267 3.954 667 1HB PRO 197 HB2 PRO 197 9.661 -1.873 4.361 668 2HB PRO 197 HB1 PRO 197 8.666 -2.639 5.604 669 1HG PRO 197 HG2 PRO 197 11.638 -2.423 5.418 670 2HG PRO 197 HG1 PRO 197 10.591 -2.303 6.842 671 1HD PRO 197 HD2 PRO 197 12.013 -4.569 6.064 672 2HD PRO 197 HD1 PRO 197 10.637 -4.552 7.182 673 H TYR 198 HN TYR 198 8.763 -3.675 1.838 674 HA TYR 198 HA TYR 198 11.496 -3.609 0.726 675 1HB TYR 198 HB2 TYR 198 9.035 -4.363 -0.833 676 2HB TYR 198 HB1 TYR 198 10.713 -4.659 -1.252 677 HD1 TYR 198 HD1 TYR 198 8.320 -5.487 1.494 678 HD2 TYR 198 HD2 TYR 198 11.439 -6.802 -1.070 679 HE1 TYR 198 HE1 TYR 198 8.142 -7.729 2.441 680 HE2 TYR 198 HE2 TYR 198 11.264 -9.047 -0.137 681 HH TYR 198 HH TYR 198 10.458 -10.083 2.064 682 H LEU 199 HN LEU 199 11.977 -1.511 0.434 683 HA LEU 199 HA LEU 199 9.890 0.324 -0.490 684 1HB LEU 199 HB2 LEU 199 12.672 0.952 0.472 685 2HB LEU 199 HB1 LEU 199 11.397 2.105 0.150 686 HG LEU 199 HG LEU 199 10.101 1.100 1.987 687 1HD1 LEU 199 HD11 LEU 199 11.599 -0.177 3.667 688 2HD1 LEU 199 HD12 LEU 199 12.581 -0.546 2.251 689 3HD1 LEU 199 HD13 LEU 199 10.896 -1.059 2.312 690 1HD2 LEU 199 HD21 LEU 199 11.558 3.125 2.196 691 2HD2 LEU 199 HD22 LEU 199 12.796 2.072 2.882 692 3HD2 LEU 199 HD23 LEU 199 11.248 2.265 3.705 693 H ASP 200 HN ASP 200 11.037 2.242 -1.788 694 HA ASP 200 HA ASP 200 12.976 1.485 -3.727 695 1HB ASP 200 HB2 ASP 200 10.969 0.250 -4.564 696 2HB ASP 200 HB1 ASP 200 10.140 1.794 -4.733 697 H ILE 201 HN ILE 201 14.049 3.319 -4.015 698 HA ILE 201 HA ILE 201 12.685 5.755 -4.734 699 HB ILE 201 HB ILE 201 13.817 7.093 -2.926 700 1HG1 ILE 201 HG12 ILE 201 13.889 5.106 -0.904 701 2HG1 ILE 201 HG11 ILE 201 14.831 4.490 -2.258 702 1HG2 ILE 201 HG21 ILE 201 11.870 5.213 -1.666 703 2HG2 ILE 201 HG22 ILE 201 11.363 6.227 -3.017 704 3HG2 ILE 201 HG23 ILE 201 11.979 6.969 -1.540 705 1HD1 ILE 201 HD11 ILE 201 15.275 7.269 -1.266 706 2HD1 ILE 201 HD12 ILE 201 16.379 6.192 -2.121 707 3HD1 ILE 201 HD13 ILE 201 15.990 5.891 -0.428 708 H THR 202 HN THR 202 14.707 3.918 -5.834 709 HA THR 202 HA THR 202 17.161 5.479 -5.817 710 HB THR 202 HB THR 202 16.747 3.110 -7.595 711 HG1 THR 202 HG1 THR 202 17.066 3.025 -4.782 712 1HG2 THR 202 HG21 THR 202 18.937 4.571 -7.137 713 2HG2 THR 202 HG22 THR 202 18.979 2.851 -7.525 714 3HG2 THR 202 HG23 THR 202 19.100 3.380 -5.847 715 H GLU 203 HN GLU 203 16.849 7.337 -6.944 716 HA GLU 203 HA GLU 203 15.368 7.493 -9.367 717 1HB GLU 203 HB2 GLU 203 15.816 9.394 -7.765 718 2HB GLU 203 HB1 GLU 203 17.457 9.443 -8.394 719 1HG GLU 203 HG2 GLU 203 15.171 9.613 -10.293 720 2HG GLU 203 HG1 GLU 203 15.608 11.028 -9.336 721 H GLU 204 HN GLU 204 18.733 6.952 -8.589 722 HA GLU 204 HA GLU 204 19.525 7.145 -11.386 723 1HB GLU 204 HB2 GLU 204 21.810 6.653 -10.483 724 2HB GLU 204 HB1 GLU 204 21.071 8.112 -9.838 725 1HG GLU 204 HG2 GLU 204 20.390 5.916 -8.157 726 2HG GLU 204 HG1 GLU 204 22.131 5.912 -8.430 Start of MODEL 15 1 1H ILE 1 HT1 ILE 1 -10.745 14.528 3.539 2 2H ILE 1 HT2 ILE 1 -12.366 14.143 3.950 3 3H ILE 1 HT3 ILE 1 -11.715 13.631 2.447 4 HA ILE 1 HA ILE 1 -11.234 12.627 5.142 5 HB ILE 1 HB ILE 1 -11.595 10.498 4.158 6 1HG1 ILE 1 HG12 ILE 1 -12.282 11.034 1.461 7 2HG1 ILE 1 HG11 ILE 1 -10.720 11.792 1.749 8 1HG2 ILE 1 HG21 ILE 1 -13.827 10.678 3.887 9 2HG2 ILE 1 HG22 ILE 1 -13.687 11.930 2.653 10 3HG2 ILE 1 HG23 ILE 1 -13.525 12.350 4.358 11 1HD1 ILE 1 HD11 ILE 1 -10.863 9.115 2.849 12 2HD1 ILE 1 HD12 ILE 1 -9.677 9.834 1.759 13 3HD1 ILE 1 HD13 ILE 1 -11.170 9.155 1.112 14 H VAL 2 HN VAL 2 -9.538 11.168 5.466 15 HA VAL 2 HA VAL 2 -7.064 11.999 4.140 16 HB VAL 2 HB VAL 2 -7.483 10.394 6.672 17 1HG1 VAL 2 HG11 VAL 2 -5.018 11.573 5.389 18 2HG1 VAL 2 HG12 VAL 2 -5.337 9.883 5.779 19 3HG1 VAL 2 HG13 VAL 2 -5.074 11.052 7.073 20 1HG2 VAL 2 HG21 VAL 2 -8.333 12.639 6.955 21 2HG2 VAL 2 HG22 VAL 2 -6.847 13.322 6.294 22 3HG2 VAL 2 HG23 VAL 2 -6.816 12.471 7.838 23 H CYS 3 HN CYS 3 -5.429 10.253 3.719 24 HA CYS 3 HA CYS 3 -6.483 7.583 3.449 25 1HB CYS 3 HB2 CYS 3 -7.123 9.112 1.395 26 2HB CYS 3 HB1 CYS 3 -5.472 8.758 0.902 27 H HIS 4 HN HIS 4 -4.962 6.131 3.764 28 HA HIS 4 HA HIS 4 -2.203 6.918 4.028 29 1HB HIS 4 HB2 HIS 4 -3.763 4.398 4.468 30 2HB HIS 4 HB1 HIS 4 -2.018 4.295 4.310 31 HD1 HIS 4 HD1 HIS 4 -1.159 6.731 5.939 32 HD2 HIS 4 HD2 HIS 4 -4.122 4.067 7.133 33 HE1 HIS 4 HE1 HIS 4 -1.280 6.940 8.443 34 HE2 HIS 4 HE2 HIS 4 -3.031 5.272 9.150 35 H THR 5 HN THR 5 -0.532 5.373 3.019 36 HA THR 5 HA THR 5 -1.099 4.103 0.574 37 HB THR 5 HB THR 5 -1.390 6.154 -0.506 38 HG1 THR 5 HG1 THR 5 0.046 5.763 -1.958 39 1HG2 THR 5 HG21 THR 5 -0.011 7.307 1.579 40 2HG2 THR 5 HG22 THR 5 -0.646 8.129 0.156 41 3HG2 THR 5 HG23 THR 5 1.028 7.576 0.182 42 H THR 6 HN THR 6 0.949 3.520 -0.591 43 HA THR 6 HA THR 6 3.144 3.212 1.305 44 HB THR 6 HB THR 6 3.522 1.064 0.343 45 HG1 THR 6 HG1 THR 6 3.098 1.152 -1.752 46 1HG2 THR 6 HG21 THR 6 1.578 -0.165 0.899 47 2HG2 THR 6 HG22 THR 6 0.555 1.245 0.617 48 3HG2 THR 6 HG23 THR 6 1.661 1.222 1.988 49 H ALA 7 HN ALA 7 4.529 4.841 0.596 50 HA ALA 7 HA ALA 7 5.784 4.383 -1.942 51 1HB ALA 7 HB1 ALA 7 3.645 5.684 -2.391 52 2HB ALA 7 HB2 ALA 7 5.134 6.259 -3.129 53 3HB ALA 7 HB3 ALA 7 4.492 7.064 -1.701 54 H THR 8 HN THR 8 5.558 6.667 0.802 55 HA THR 8 HA THR 8 8.141 7.793 0.218 56 HB THR 8 HB THR 8 6.457 9.145 1.295 57 HG1 THR 8 HG1 THR 8 8.393 9.858 1.933 58 1HG2 THR 8 HG21 THR 8 6.664 7.317 3.665 59 2HG2 THR 8 HG22 THR 8 5.308 7.369 2.547 60 3HG2 THR 8 HG23 THR 8 5.687 8.777 3.539 61 H SER 9 HN SER 9 8.958 7.863 3.146 62 HA SER 9 HA SER 9 10.681 5.597 3.046 63 1HB SER 9 HB2 SER 9 10.246 7.850 4.953 64 2HB SER 9 HB1 SER 9 11.010 6.393 5.591 65 HG SER 9 HG SER 9 11.958 8.265 3.783 66 HA PRO 10 HA PRO 10 7.683 3.604 6.014 67 1HB PRO 10 HB2 PRO 10 6.188 5.035 7.738 68 2HB PRO 10 HB1 PRO 10 7.911 4.775 8.032 69 1HG PRO 10 HG2 PRO 10 6.511 7.232 7.277 70 2HG PRO 10 HG1 PRO 10 8.136 7.030 7.946 71 1HD PRO 10 HD2 PRO 10 7.323 7.390 5.176 72 2HD PRO 10 HD1 PRO 10 8.945 7.444 5.877 73 H ILE 11 HN ILE 11 4.982 3.853 6.616 74 HA ILE 11 HA ILE 11 3.782 3.948 4.050 75 HB ILE 11 HB ILE 11 2.317 4.165 6.681 76 1HG1 ILE 11 HG12 ILE 11 2.590 1.541 5.338 77 2HG1 ILE 11 HG11 ILE 11 4.027 2.157 6.146 78 1HG2 ILE 11 HG21 ILE 11 1.038 4.645 4.612 79 2HG2 ILE 11 HG22 ILE 11 0.445 3.242 5.500 80 3HG2 ILE 11 HG23 ILE 11 1.419 3.019 4.048 81 1HD1 ILE 11 HD11 ILE 11 1.446 1.259 7.283 82 2HD1 ILE 11 HD12 ILE 11 2.312 2.553 8.111 83 3HD1 ILE 11 HD13 ILE 11 3.093 0.993 7.853 84 H SER 12 HN SER 12 2.699 5.602 3.008 85 HA SER 12 HA SER 12 2.981 8.259 4.206 86 1HB SER 12 HB2 SER 12 2.205 8.821 1.693 87 2HB SER 12 HB1 SER 12 3.885 8.483 2.096 88 HG SER 12 HG SER 12 2.110 6.420 1.361 89 H ALA 13 HN ALA 13 1.182 9.848 3.656 90 HA ALA 13 HA ALA 13 -1.449 8.753 3.289 91 1HB ALA 13 HB1 ALA 13 -2.229 8.678 5.386 92 2HB ALA 13 HB2 ALA 13 -1.389 10.157 5.854 93 3HB ALA 13 HB3 ALA 13 -0.529 8.617 5.853 94 H VAL 14 HN VAL 14 -2.665 10.219 2.291 95 HA VAL 14 HA VAL 14 -2.243 13.064 2.844 96 HB VAL 14 HB VAL 14 -2.342 13.598 0.429 97 1HG1 VAL 14 HG11 VAL 14 -0.078 13.424 0.132 98 2HG1 VAL 14 HG12 VAL 14 -0.015 11.766 0.729 99 3HG1 VAL 14 HG13 VAL 14 -0.189 13.104 1.864 100 1HG2 VAL 14 HG21 VAL 14 -2.448 12.045 -1.231 101 2HG2 VAL 14 HG22 VAL 14 -3.310 11.153 0.022 102 3HG2 VAL 14 HG23 VAL 14 -1.607 10.815 -0.289 103 H THR 15 HN THR 15 -4.018 14.421 2.259 104 HA THR 15 HA THR 15 -6.576 13.054 2.416 105 HB THR 15 HB THR 15 -6.928 15.858 2.169 106 HG1 THR 15 HG1 THR 15 -4.820 15.169 3.930 107 1HG2 THR 15 HG21 THR 15 -8.394 14.908 3.631 108 2HG2 THR 15 HG22 THR 15 -7.225 15.605 4.753 109 3HG2 THR 15 HG23 THR 15 -7.163 13.885 4.373 110 H CYS 16 HN CYS 16 -8.009 12.859 0.767 111 HA CYS 16 HA CYS 16 -7.146 13.743 -1.878 112 1HB CYS 16 HB2 CYS 16 -9.611 12.110 -1.344 113 2HB CYS 16 HB1 CYS 16 -8.587 12.126 -2.775 114 HA PRO 17 HA PRO 17 -10.097 17.148 -1.104 115 1HB PRO 17 HB2 PRO 17 -8.506 18.626 -3.046 116 2HB PRO 17 HB1 PRO 17 -8.793 18.965 -1.339 117 1HG PRO 17 HG2 PRO 17 -6.387 18.167 -2.282 118 2HG PRO 17 HG1 PRO 17 -6.961 17.758 -0.656 119 1HD PRO 17 HD2 PRO 17 -6.947 16.078 -3.134 120 2HD PRO 17 HD1 PRO 17 -6.524 15.633 -1.477 121 HA PRO 18 HA PRO 18 -10.994 17.498 -5.889 122 1HB PRO 18 HB2 PRO 18 -10.499 15.216 -7.316 123 2HB PRO 18 HB1 PRO 18 -9.397 16.594 -7.226 124 1HG PRO 18 HG2 PRO 18 -9.347 14.027 -5.693 125 2HG PRO 18 HG1 PRO 18 -8.003 14.917 -6.434 126 1HD PRO 18 HD2 PRO 18 -8.500 15.036 -3.801 127 2HD PRO 18 HD1 PRO 18 -7.887 16.439 -4.699 128 H GLY 19 HN GLY 19 -11.305 14.006 -6.036 129 1HA GLY 19 HA2 GLY 19 -14.057 14.165 -5.038 130 2HA GLY 19 HA1 GLY 19 -13.809 13.639 -6.696 131 H GLU 20 HN GLU 20 -11.339 12.207 -6.079 132 HA GLU 20 HA GLU 20 -12.462 9.694 -5.389 133 1HB GLU 20 HB2 GLU 20 -9.616 10.664 -5.721 134 2HB GLU 20 HB1 GLU 20 -10.009 8.995 -5.351 135 1HG GLU 20 HG2 GLU 20 -10.621 8.543 -7.454 136 2HG GLU 20 HG1 GLU 20 -11.453 10.084 -7.646 137 H ASN 21 HN ASN 21 -13.287 9.618 -3.336 138 HA ASN 21 HA ASN 21 -11.418 10.279 -1.170 139 1HB ASN 21 HB2 ASN 21 -14.351 10.781 -1.453 140 2HB ASN 21 HB1 ASN 21 -13.666 10.560 0.155 141 1HD2 ASN 21 HD21 ASN 21 -11.196 11.726 -0.212 142 2HD2 ASN 21 HD22 ASN 21 -11.400 13.423 -0.479 143 H LEU 22 HN LEU 22 -11.062 7.828 -1.996 144 HA LEU 22 HA LEU 22 -12.103 6.314 0.212 145 1HB LEU 22 HB2 LEU 22 -13.127 6.012 -2.456 146 2HB LEU 22 HB1 LEU 22 -12.350 4.524 -1.940 147 HG LEU 22 HG LEU 22 -13.801 5.192 0.259 148 1HD1 LEU 22 HD11 LEU 22 -15.132 6.320 -2.134 149 2HD1 LEU 22 HD12 LEU 22 -15.152 6.867 -0.457 150 3HD1 LEU 22 HD13 LEU 22 -16.135 5.487 -0.947 151 1HD2 LEU 22 HD21 LEU 22 -15.515 3.534 -1.035 152 2HD2 LEU 22 HD22 LEU 22 -14.046 3.008 -0.212 153 3HD2 LEU 22 HD23 LEU 22 -14.031 3.280 -1.955 154 H CYS 23 HN CYS 23 -10.686 4.880 0.996 155 HA CYS 23 HA CYS 23 -8.135 4.660 -0.375 156 1HB CYS 23 HB2 CYS 23 -8.857 3.808 2.407 157 2HB CYS 23 HB1 CYS 23 -7.252 3.838 1.706 158 H TYR 24 HN TYR 24 -7.237 2.755 -1.042 159 HA TYR 24 HA TYR 24 -8.970 0.392 -0.794 160 1HB TYR 24 HB2 TYR 24 -8.264 -0.306 -3.021 161 2HB TYR 24 HB1 TYR 24 -8.992 1.296 -3.083 162 HD1 TYR 24 HD1 TYR 24 -7.650 3.262 -3.524 163 HD2 TYR 24 HD2 TYR 24 -5.869 -0.621 -3.489 164 HE1 TYR 24 HE1 TYR 24 -5.663 4.152 -4.657 165 HE2 TYR 24 HE2 TYR 24 -3.904 0.264 -4.613 166 HH TYR 24 HH TYR 24 -3.436 3.692 -5.128 167 H ARG 25 HN ARG 25 -7.950 -1.635 -0.896 168 HA ARG 25 HA ARG 25 -5.095 -1.669 -0.229 169 1HB ARG 25 HB2 ARG 25 -6.022 -2.005 1.896 170 2HB ARG 25 HB1 ARG 25 -7.386 -2.917 1.267 171 1HG ARG 25 HG2 ARG 25 -6.236 -4.876 1.219 172 2HG ARG 25 HG1 ARG 25 -4.687 -4.089 0.910 173 1HD ARG 25 HD2 ARG 25 -6.150 -4.007 3.544 174 2HD ARG 25 HD1 ARG 25 -4.863 -5.144 3.155 175 HE ARG 25 HE ARG 25 -3.312 -3.394 3.220 176 1HH1 ARG 25 HH11 ARG 25 -6.557 -2.255 3.862 177 2HH1 ARG 25 HH12 ARG 25 -6.022 -0.751 4.528 178 1HH2 ARG 25 HH21 ARG 25 -2.623 -1.431 4.105 179 2HH2 ARG 25 HH22 ARG 25 -3.791 -0.281 4.664 180 H LYS 26 HN LYS 26 -5.012 -2.157 -2.560 181 HA LYS 26 HA LYS 26 -6.054 -4.783 -3.268 182 1HB LYS 26 HB2 LYS 26 -5.272 -4.275 -5.551 183 2HB LYS 26 HB1 LYS 26 -6.411 -3.093 -4.930 184 1HG LYS 26 HG2 LYS 26 -4.890 -1.438 -4.895 185 2HG LYS 26 HG1 LYS 26 -3.541 -2.522 -4.556 186 1HD LYS 26 HD2 LYS 26 -4.240 -3.375 -7.008 187 2HD LYS 26 HD1 LYS 26 -4.703 -1.673 -7.129 188 1HE LYS 26 HE2 LYS 26 -2.347 -1.341 -5.998 189 2HE LYS 26 HE1 LYS 26 -2.036 -2.904 -6.753 190 1HZ LYS 26 HZ1 LYS 26 -1.396 -1.417 -8.380 191 2HZ LYS 26 HZ2 LYS 26 -2.636 -0.319 -8.033 192 3HZ LYS 26 HZ3 LYS 26 -2.987 -1.760 -8.846 193 H MET 27 HN MET 27 -4.977 -6.505 -2.979 194 HA MET 27 HA MET 27 -2.063 -6.426 -3.193 195 1HB MET 27 HB2 MET 27 -2.290 -8.173 -1.172 196 2HB MET 27 HB1 MET 27 -2.063 -6.451 -0.918 197 1HG MET 27 HG2 MET 27 -4.097 -6.172 -0.041 198 2HG MET 27 HG1 MET 27 -4.857 -7.297 -1.167 199 1HE MET 27 HE1 MET 27 -6.323 -8.438 0.003 200 2HE MET 27 HE2 MET 27 -6.239 -7.986 1.706 201 3HE MET 27 HE3 MET 27 -6.043 -9.674 1.230 202 H TRP 28 HN TRP 28 -1.085 -8.415 -3.611 203 HA TRP 28 HA TRP 28 -2.790 -10.655 -4.344 204 1HB TRP 28 HB2 TRP 28 -1.564 -10.865 -6.536 205 2HB TRP 28 HB1 TRP 28 -2.725 -9.550 -6.415 206 HD1 TRP 28 HD1 TRP 28 0.908 -10.256 -6.901 207 HE1 TRP 28 HE1 TRP 28 2.143 -8.039 -7.422 208 HE3 TRP 28 HE3 TRP 28 -2.833 -7.041 -5.783 209 HZ2 TRP 28 HZ2 TRP 28 1.548 -5.257 -7.349 210 HZ3 TRP 28 HZ3 TRP 28 -2.457 -4.620 -6.012 211 HH2 TRP 28 HH2 TRP 28 -0.305 -3.749 -6.771 212 H CYS 29 HN CYS 29 -0.887 -12.229 -5.590 213 HA CYS 29 HA CYS 29 0.789 -12.822 -3.284 214 1HB CYS 29 HB2 CYS 29 -0.767 -14.461 -4.799 215 2HB CYS 29 HB1 CYS 29 0.811 -14.723 -5.532 216 H ASP 30 HN ASP 30 2.744 -12.158 -3.176 217 HA ASP 30 HA ASP 30 4.469 -12.398 -5.511 218 1HB ASP 30 HB2 ASP 30 3.479 -9.971 -4.961 219 2HB ASP 30 HB1 ASP 30 4.881 -9.955 -3.895 220 H ALA 31 HN ALA 31 5.500 -14.079 -4.598 221 HA ALA 31 HA ALA 31 7.396 -14.863 -3.563 222 1HB ALA 31 HB1 ALA 31 7.565 -12.243 -2.773 223 2HB ALA 31 HB2 ALA 31 8.729 -13.518 -2.442 224 3HB ALA 31 HB3 ALA 31 7.481 -13.140 -1.262 225 H PHE 32 HN PHE 32 4.468 -13.978 -1.732 226 HA PHE 32 HA PHE 32 5.010 -15.823 0.384 227 1HB PHE 32 HB2 PHE 32 3.076 -13.973 0.093 228 2HB PHE 32 HB1 PHE 32 2.183 -15.387 -0.422 229 HD1 PHE 32 HD1 PHE 32 0.655 -15.526 1.376 230 HD2 PHE 32 HD2 PHE 32 4.843 -15.370 2.135 231 HE1 PHE 32 HE1 PHE 32 0.248 -16.140 3.723 232 HE2 PHE 32 HE2 PHE 32 4.440 -15.988 4.487 233 HZ PHE 32 HZ PHE 32 2.141 -16.373 5.282 234 H CYS 33 HN CYS 33 3.738 -15.929 -2.802 235 HA CYS 33 HA CYS 33 2.904 -18.676 -2.668 236 1HB CYS 33 HB2 CYS 33 3.084 -16.563 -4.803 237 2HB CYS 33 HB1 CYS 33 2.876 -18.253 -5.266 238 H SER 34 HN SER 34 5.609 -16.713 -3.613 239 HA SER 34 HA SER 34 7.166 -18.991 -4.534 240 1HB SER 34 HB2 SER 34 8.621 -16.479 -4.360 241 2HB SER 34 HB1 SER 34 8.307 -17.498 -5.764 242 HG SER 34 HG SER 34 7.351 -15.217 -5.545 243 H SER 35 HN SER 35 8.145 -16.232 -2.481 244 HA SER 35 HA SER 35 9.045 -18.113 -0.429 245 1HB SER 35 HB2 SER 35 11.263 -17.044 -0.315 246 2HB SER 35 HB1 SER 35 10.964 -17.810 -1.875 247 HG SER 35 HG SER 35 11.197 -15.938 -2.780 248 H ARG 36 HN ARG 36 8.944 -14.566 -1.119 249 HA ARG 36 HA ARG 36 9.091 -13.935 1.652 250 1HB ARG 36 HB2 ARG 36 8.196 -11.879 -0.327 251 2HB ARG 36 HB1 ARG 36 9.169 -11.695 1.114 252 1HG ARG 36 HG2 ARG 36 10.872 -13.165 -0.236 253 2HG ARG 36 HG1 ARG 36 9.961 -12.540 -1.613 254 1HD ARG 36 HD2 ARG 36 10.278 -10.242 -0.627 255 2HD ARG 36 HD1 ARG 36 11.437 -10.976 0.484 256 HE ARG 36 HE ARG 36 12.958 -11.009 -1.215 257 1HH1 ARG 36 HH11 ARG 36 9.769 -10.737 -2.606 258 2HH1 ARG 36 HH12 ARG 36 10.357 -10.534 -4.223 259 1HH2 ARG 36 HH21 ARG 36 13.731 -10.741 -3.340 260 2HH2 ARG 36 HH22 ARG 36 12.605 -10.536 -4.639 261 H GLY 37 HN GLY 37 6.503 -12.297 -0.230 262 1HA GLY 37 HA2 GLY 37 4.493 -13.619 1.382 263 2HA GLY 37 HA1 GLY 37 4.814 -11.963 1.839 264 H LYS 38 HN LYS 38 2.611 -11.502 1.356 265 HA LYS 38 HA LYS 38 1.880 -11.619 -1.471 266 1HB LYS 38 HB2 LYS 38 0.435 -11.778 1.008 267 2HB LYS 38 HB1 LYS 38 -0.200 -10.446 0.053 268 1HG LYS 38 HG2 LYS 38 -1.189 -11.821 -1.397 269 2HG LYS 38 HG1 LYS 38 0.222 -12.874 -1.497 270 1HD LYS 38 HD2 LYS 38 -0.982 -14.376 -0.368 271 2HD LYS 38 HD1 LYS 38 -0.760 -13.342 1.044 272 1HE LYS 38 HE2 LYS 38 -3.084 -13.747 0.879 273 2HE LYS 38 HE1 LYS 38 -2.828 -12.099 0.308 274 1HZ LYS 38 HZ1 LYS 38 -3.355 -14.520 -1.315 275 2HZ LYS 38 HZ2 LYS 38 -2.793 -13.076 -1.992 276 3HZ LYS 38 HZ3 LYS 38 -4.292 -13.115 -1.209 277 H VAL 39 HN VAL 39 1.595 -9.805 -2.703 278 HA VAL 39 HA VAL 39 2.943 -7.427 -1.896 279 HB VAL 39 HB VAL 39 1.469 -8.360 -4.282 280 1HG1 VAL 39 HG11 VAL 39 0.424 -6.336 -4.447 281 2HG1 VAL 39 HG12 VAL 39 1.977 -5.891 -5.154 282 3HG1 VAL 39 HG13 VAL 39 1.637 -5.507 -3.474 283 1HG2 VAL 39 HG21 VAL 39 4.069 -8.278 -3.640 284 2HG2 VAL 39 HG22 VAL 39 3.926 -6.705 -4.419 285 3HG2 VAL 39 HG23 VAL 39 3.500 -8.167 -5.306 286 H VAL 40 HN VAL 40 2.174 -5.429 -1.385 287 HA VAL 40 HA VAL 40 -0.713 -5.094 -0.995 288 HB VAL 40 HB VAL 40 1.207 -4.230 1.145 289 1HG1 VAL 40 HG11 VAL 40 -1.750 -4.455 0.838 290 2HG1 VAL 40 HG12 VAL 40 -0.782 -3.142 1.509 291 3HG1 VAL 40 HG13 VAL 40 -1.036 -4.615 2.445 292 1HG2 VAL 40 HG21 VAL 40 -0.275 -6.843 1.017 293 2HG2 VAL 40 HG22 VAL 40 0.643 -6.246 2.400 294 3HG2 VAL 40 HG23 VAL 40 1.471 -6.644 0.895 295 H GLU 41 HN GLU 41 -1.397 -3.257 -1.776 296 HA GLU 41 HA GLU 41 0.334 -0.891 -1.715 297 1HB GLU 41 HB2 GLU 41 -1.288 -0.709 -4.046 298 2HB GLU 41 HB1 GLU 41 0.465 -0.711 -3.928 299 1HG GLU 41 HG2 GLU 41 -0.957 -3.308 -3.820 300 2HG GLU 41 HG1 GLU 41 -0.839 -2.470 -5.361 301 H LEU 42 HN LEU 42 -0.652 0.715 -0.722 302 HA LEU 42 HA LEU 42 -3.592 0.730 -0.598 303 1HB LEU 42 HB2 LEU 42 -1.978 2.445 1.217 304 2HB LEU 42 HB1 LEU 42 -3.500 1.632 1.506 305 HG LEU 42 HG LEU 42 -0.774 0.356 1.525 306 1HD1 LEU 42 HD11 LEU 42 -1.366 -0.043 3.915 307 2HD1 LEU 42 HD12 LEU 42 -2.741 1.035 3.687 308 3HD1 LEU 42 HD13 LEU 42 -1.100 1.646 3.490 309 1HD2 LEU 42 HD21 LEU 42 -3.502 -0.849 1.951 310 2HD2 LEU 42 HD22 LEU 42 -1.974 -1.663 2.280 311 3HD2 LEU 42 HD23 LEU 42 -2.390 -1.204 0.630 312 H GLY 43 HN GLY 43 -4.716 2.534 -1.271 313 1HA GLY 43 HA2 GLY 43 -3.291 5.000 -1.815 314 2HA GLY 43 HA1 GLY 43 -3.820 4.146 -3.252 315 H CYS 44 HN CYS 44 -4.890 6.336 -3.427 316 HA CYS 44 HA CYS 44 -7.528 6.272 -2.114 317 1HB CYS 44 HB2 CYS 44 -6.221 8.213 -1.402 318 2HB CYS 44 HB1 CYS 44 -5.937 8.662 -3.079 319 H ALA 45 HN ALA 45 -9.332 6.431 -3.397 320 HA ALA 45 HA ALA 45 -9.103 7.158 -6.186 321 1HB ALA 45 HB1 ALA 45 -9.812 4.347 -5.378 322 2HB ALA 45 HB2 ALA 45 -8.427 4.863 -6.339 323 3HB ALA 45 HB3 ALA 45 -10.059 5.015 -6.991 324 H ALA 46 HN ALA 46 -11.346 6.512 -7.265 325 HA ALA 46 HA ALA 46 -13.437 7.626 -5.524 326 1HB ALA 46 HB1 ALA 46 -12.660 8.537 -7.936 327 2HB ALA 46 HB2 ALA 46 -14.318 8.671 -7.350 328 3HB ALA 46 HB3 ALA 46 -13.871 7.358 -8.444 329 H THR 47 HN THR 47 -12.505 5.097 -7.713 330 HA THR 47 HA THR 47 -14.694 3.440 -6.747 331 HB THR 47 HB THR 47 -14.148 2.616 -9.361 332 HG1 THR 47 HG1 THR 47 -13.296 4.779 -9.626 333 1HG2 THR 47 HG21 THR 47 -16.367 2.629 -9.575 334 2HG2 THR 47 HG22 THR 47 -16.505 4.294 -9.009 335 3HG2 THR 47 HG23 THR 47 -16.341 2.978 -7.845 336 H CYS 48 HN CYS 48 -13.232 2.538 -5.325 337 HA CYS 48 HA CYS 48 -10.772 1.382 -6.159 338 1HB CYS 48 HB2 CYS 48 -10.589 1.878 -3.962 339 2HB CYS 48 HB1 CYS 48 -12.302 1.638 -3.655 340 HA PRO 49 HA PRO 49 -13.589 -2.680 -5.724 341 1HB PRO 49 HB2 PRO 49 -15.675 -1.707 -7.601 342 2HB PRO 49 HB1 PRO 49 -15.835 -2.723 -6.163 343 1HG PRO 49 HG2 PRO 49 -16.596 -0.177 -6.107 344 2HG PRO 49 HG1 PRO 49 -15.774 -0.908 -4.716 345 1HD PRO 49 HD2 PRO 49 -14.684 0.927 -6.811 346 2HD PRO 49 HD1 PRO 49 -14.373 0.902 -5.063 347 H SER 50 HN SER 50 -11.421 -2.148 -7.271 348 HA SER 50 HA SER 50 -12.038 -2.846 -10.028 349 1HB SER 50 HB2 SER 50 -9.356 -2.333 -8.726 350 2HB SER 50 HB1 SER 50 -9.669 -2.472 -10.455 351 HG SER 50 HG SER 50 -9.862 -0.373 -10.282 352 H LYS 51 HN LYS 51 -12.797 -4.837 -8.335 353 HA LYS 51 HA LYS 51 -11.162 -6.796 -7.479 354 1HB LYS 51 HB2 LYS 51 -12.925 -8.312 -7.692 355 2HB LYS 51 HB1 LYS 51 -13.727 -6.752 -7.592 356 1HG LYS 51 HG2 LYS 51 -13.257 -8.393 -10.074 357 2HG LYS 51 HG1 LYS 51 -14.796 -8.092 -9.266 358 1HD LYS 51 HD2 LYS 51 -13.084 -5.903 -10.429 359 2HD LYS 51 HD1 LYS 51 -14.362 -6.716 -11.331 360 1HE LYS 51 HE2 LYS 51 -15.992 -6.016 -9.641 361 2HE LYS 51 HE1 LYS 51 -14.711 -5.197 -8.748 362 1HZ LYS 51 HZ1 LYS 51 -16.266 -4.000 -10.552 363 2HZ LYS 51 HZ2 LYS 51 -14.964 -4.443 -11.536 364 3HZ LYS 51 HZ3 LYS 51 -14.702 -3.478 -10.172 365 H LYS 52 HN LYS 52 -9.473 -7.773 -8.283 366 HA LYS 52 HA LYS 52 -9.115 -7.989 -11.157 367 1HB LYS 52 HB2 LYS 52 -7.279 -8.753 -8.877 368 2HB LYS 52 HB1 LYS 52 -6.847 -8.777 -10.581 369 1HG LYS 52 HG2 LYS 52 -7.244 -6.346 -10.685 370 2HG LYS 52 HG1 LYS 52 -7.580 -6.352 -8.953 371 1HD LYS 52 HD2 LYS 52 -5.283 -5.655 -9.403 372 2HD LYS 52 HD1 LYS 52 -5.321 -7.179 -8.516 373 1HE LYS 52 HE2 LYS 52 -4.364 -8.319 -10.197 374 2HE LYS 52 HE1 LYS 52 -5.314 -7.486 -11.428 375 1HZ LYS 52 HZ1 LYS 52 -3.231 -5.942 -10.093 376 2HZ LYS 52 HZ2 LYS 52 -3.738 -5.906 -11.705 377 3HZ LYS 52 HZ3 LYS 52 -2.716 -7.143 -11.169 378 HA PRO 53 HA PRO 53 -10.092 -12.276 -11.403 379 1HB PRO 53 HB2 PRO 53 -7.912 -12.984 -13.143 380 2HB PRO 53 HB1 PRO 53 -9.584 -12.627 -13.573 381 1HG PRO 53 HG2 PRO 53 -7.440 -11.042 -14.242 382 2HG PRO 53 HG1 PRO 53 -9.110 -10.465 -14.114 383 1HD PRO 53 HD2 PRO 53 -6.864 -10.232 -12.149 384 2HD PRO 53 HD1 PRO 53 -8.120 -9.049 -12.574 385 H TYR 54 HN TYR 54 -8.219 -11.676 -9.171 386 HA TYR 54 HA TYR 54 -7.696 -14.183 -8.222 387 1HB TYR 54 HB2 TYR 54 -6.162 -14.543 -10.087 388 2HB TYR 54 HB1 TYR 54 -5.254 -13.102 -9.644 389 HD1 TYR 54 HD1 TYR 54 -6.270 -16.446 -8.362 390 HD2 TYR 54 HD2 TYR 54 -3.446 -13.271 -8.174 391 HE1 TYR 54 HE1 TYR 54 -4.834 -17.818 -6.910 392 HE2 TYR 54 HE2 TYR 54 -2.001 -14.633 -6.723 393 HH TYR 54 HH TYR 54 -2.508 -16.693 -5.034 394 H GLU 55 HN GLU 55 -7.015 -10.801 -8.192 395 HA GLU 55 HA GLU 55 -5.634 -11.031 -5.617 396 1HB GLU 55 HB2 GLU 55 -6.088 -8.391 -6.917 397 2HB GLU 55 HB1 GLU 55 -4.721 -8.955 -5.970 398 1HG GLU 55 HG2 GLU 55 -5.326 -9.430 -8.860 399 2HG GLU 55 HG1 GLU 55 -3.885 -8.730 -8.126 400 H GLU 56 HN GLU 56 -6.266 -9.732 -3.824 401 HA GLU 56 HA GLU 56 -9.167 -9.229 -3.766 402 1HB GLU 56 HB2 GLU 56 -8.406 -11.004 -2.240 403 2HB GLU 56 HB1 GLU 56 -7.294 -9.872 -1.480 404 1HG GLU 56 HG2 GLU 56 -9.023 -8.648 -0.499 405 2HG GLU 56 HG1 GLU 56 -10.241 -9.345 -1.566 406 H VAL 57 HN VAL 57 -9.788 -7.178 -3.633 407 HA VAL 57 HA VAL 57 -7.930 -5.229 -2.435 408 HB VAL 57 HB VAL 57 -7.983 -4.905 -4.842 409 1HG1 VAL 57 HG11 VAL 57 -10.610 -3.934 -5.277 410 2HG1 VAL 57 HG12 VAL 57 -10.741 -5.533 -4.545 411 3HG1 VAL 57 HG13 VAL 57 -9.811 -5.316 -6.026 412 1HG2 VAL 57 HG21 VAL 57 -8.679 -2.554 -4.906 413 2HG2 VAL 57 HG22 VAL 57 -7.775 -2.926 -3.437 414 3HG2 VAL 57 HG23 VAL 57 -9.531 -2.767 -3.376 415 H THR 58 HN THR 58 -8.712 -4.080 -0.802 416 HA THR 58 HA THR 58 -11.577 -4.245 -0.214 417 HB THR 58 HB THR 58 -9.609 -2.997 1.657 418 HG1 THR 58 HG1 THR 58 -9.110 -5.100 2.431 419 1HG2 THR 58 HG21 THR 58 -11.839 -3.019 2.451 420 2HG2 THR 58 HG22 THR 58 -10.960 -4.273 3.326 421 3HG2 THR 58 HG23 THR 58 -12.047 -4.714 2.008 422 H CYS 59 HN CYS 59 -12.802 -2.373 0.293 423 HA CYS 59 HA CYS 59 -11.604 0.169 -0.585 424 1HB CYS 59 HB2 CYS 59 -14.421 -0.719 -1.224 425 2HB CYS 59 HB1 CYS 59 -13.619 0.748 -1.778 426 H CYS 60 HN CYS 60 -11.854 1.798 0.794 427 HA CYS 60 HA CYS 60 -14.103 1.773 2.668 428 1HB CYS 60 HB2 CYS 60 -12.637 2.214 4.565 429 2HB CYS 60 HB1 CYS 60 -12.224 0.683 3.799 430 H SER 61 HN SER 61 -14.834 3.765 3.315 431 HA SER 61 HA SER 61 -13.581 6.070 1.971 432 1HB SER 61 HB2 SER 61 -16.433 6.163 2.835 433 2HB SER 61 HB1 SER 61 -15.654 6.905 1.438 434 HG SER 61 HG SER 61 -17.105 5.005 1.096 435 H THR 62 HN THR 62 -12.314 5.838 4.170 436 HA THR 62 HA THR 62 -13.385 7.920 5.896 437 HB THR 62 HB THR 62 -13.955 6.591 7.585 438 HG1 THR 62 HG1 THR 62 -12.254 6.452 8.769 439 1HG2 THR 62 HG21 THR 62 -13.443 4.061 7.476 440 2HG2 THR 62 HG22 THR 62 -12.999 4.403 5.805 441 3HG2 THR 62 HG23 THR 62 -14.629 4.760 6.373 442 H ASP 63 HN ASP 63 -11.814 9.011 7.152 443 HA ASP 63 HA ASP 63 -9.363 9.445 5.982 444 1HB ASP 63 HB2 ASP 63 -9.970 9.855 8.915 445 2HB ASP 63 HB1 ASP 63 -8.809 10.742 7.934 446 H LYS 64 HN LYS 64 -7.595 8.297 5.863 447 HA LYS 64 HA LYS 64 -6.037 6.652 6.221 448 1HB LYS 64 HB2 LYS 64 -6.586 6.940 9.165 449 2HB LYS 64 HB1 LYS 64 -5.064 6.579 8.365 450 1HG LYS 64 HG2 LYS 64 -6.211 9.173 7.644 451 2HG LYS 64 HG1 LYS 64 -5.781 9.009 9.347 452 1HD LYS 64 HD2 LYS 64 -3.582 7.963 8.278 453 2HD LYS 64 HD1 LYS 64 -4.050 9.007 6.938 454 1HE LYS 64 HE2 LYS 64 -3.259 10.785 8.006 455 2HE LYS 64 HE1 LYS 64 -4.308 10.457 9.385 456 1HZ LYS 64 HZ1 LYS 64 -2.495 8.724 9.962 457 2HZ LYS 64 HZ2 LYS 64 -2.225 10.356 10.317 458 3HZ LYS 64 HZ3 LYS 64 -1.510 9.659 8.952 459 H CYS 65 HN CYS 65 -8.688 5.758 5.778 460 HA CYS 65 HA CYS 65 -9.298 3.678 7.653 461 1HB CYS 65 HB2 CYS 65 -11.175 3.187 6.232 462 2HB CYS 65 HB1 CYS 65 -11.027 4.934 6.390 463 H ASN 66 HN ASN 66 -6.978 3.808 5.264 464 HA ASN 66 HA ASN 66 -7.258 0.949 4.653 465 1HB ASN 66 HB2 ASN 66 -5.503 1.471 2.875 466 2HB ASN 66 HB1 ASN 66 -7.110 2.143 2.624 467 1HD2 ASN 66 HD21 ASN 66 -4.665 3.046 1.480 468 2HD2 ASN 66 HD22 ASN 66 -4.428 4.670 2.006 469 HA PRO 67 HA PRO 67 -3.545 1.027 7.378 470 1HB PRO 67 HB2 PRO 67 -4.405 -0.274 9.462 471 2HB PRO 67 HB1 PRO 67 -5.130 1.314 9.124 472 1HG PRO 67 HG2 PRO 67 -6.176 -1.409 8.402 473 2HG PRO 67 HG1 PRO 67 -7.019 -0.105 9.266 474 1HD PRO 67 HD2 PRO 67 -7.208 -0.514 6.546 475 2HD PRO 67 HD1 PRO 67 -7.438 1.060 7.334 476 H HIS 68 HN HIS 68 -2.008 -0.608 7.542 477 HA HIS 68 HA HIS 68 -2.297 -2.820 5.798 478 1HB HIS 68 HB2 HIS 68 -0.154 -1.559 7.210 479 2HB HIS 68 HB1 HIS 68 -0.072 -3.298 7.476 480 HD1 HIS 68 HD1 HIS 68 0.517 -4.794 5.454 481 HD2 HIS 68 HD2 HIS 68 0.257 -0.734 4.561 482 HE1 HIS 68 HE1 HIS 68 1.352 -4.549 3.093 483 HE2 HIS 68 HE2 HIS 68 1.117 -2.108 2.555 484 HA PRO 69 HA PRO 69 -3.963 -5.929 8.436 485 1HB PRO 69 HB2 PRO 69 -3.040 -8.135 7.099 486 2HB PRO 69 HB1 PRO 69 -4.439 -7.185 6.590 487 1HG PRO 69 HG2 PRO 69 -1.663 -7.195 5.532 488 2HG PRO 69 HG1 PRO 69 -3.192 -6.945 4.680 489 1HD PRO 69 HD2 PRO 69 -1.460 -4.935 5.369 490 2HD PRO 69 HD1 PRO 69 -3.196 -4.708 5.098 491 H LYS 70 HN LYS 70 -0.923 -7.331 7.251 492 HA LYS 70 HA LYS 70 -0.303 -8.433 9.786 493 1HB LYS 70 HB2 LYS 70 0.800 -8.501 7.088 494 2HB LYS 70 HB1 LYS 70 2.045 -8.530 8.330 495 1HG LYS 70 HG2 LYS 70 -0.295 -10.357 8.585 496 2HG LYS 70 HG1 LYS 70 0.983 -10.748 7.436 497 1HD LYS 70 HD2 LYS 70 1.129 -11.679 9.849 498 2HD LYS 70 HD1 LYS 70 2.577 -11.010 9.101 499 1HE LYS 70 HE2 LYS 70 2.233 -8.906 10.270 500 2HE LYS 70 HE1 LYS 70 0.745 -9.528 10.983 501 1HZ LYS 70 HZ1 LYS 70 2.266 -9.879 12.650 502 2HZ LYS 70 HZ2 LYS 70 3.531 -10.246 11.591 503 3HZ LYS 70 HZ3 LYS 70 2.306 -11.378 11.866 504 H GLN 71 HN GLN 71 0.763 -5.542 8.075 505 HA GLN 71 HA GLN 71 2.852 -4.952 9.946 506 1HB GLN 71 HB2 GLN 71 1.579 -2.955 8.095 507 2HB GLN 71 HB1 GLN 71 3.211 -2.958 8.734 508 1HG GLN 71 HG2 GLN 71 2.591 -5.332 7.164 509 2HG GLN 71 HG1 GLN 71 2.456 -3.829 6.254 510 1HE2 GLN 71 HE21 GLN 71 4.296 -5.203 5.231 511 2HE2 GLN 71 HE22 GLN 71 5.888 -4.786 5.758 512 H ARG 72 HN ARG 72 1.734 -2.009 9.830 513 HA ARG 72 HA ARG 72 0.492 -0.613 11.144 514 1HB ARG 72 HB2 ARG 72 -1.004 -3.115 11.325 515 2HB ARG 72 HB1 ARG 72 -1.088 -2.189 12.814 516 1HG ARG 72 HG2 ARG 72 -1.736 -0.211 11.334 517 2HG ARG 72 HG1 ARG 72 -1.995 -1.411 10.066 518 1HD ARG 72 HD2 ARG 72 -3.312 -1.432 12.780 519 2HD ARG 72 HD1 ARG 72 -4.065 -0.864 11.291 520 HE ARG 72 HE ARG 72 -3.082 -3.554 11.115 521 1HH1 ARG 72 HH11 ARG 72 -5.774 -1.568 12.109 522 2HH1 ARG 72 HH12 ARG 72 -6.935 -2.843 11.954 523 1HH2 ARG 72 HH21 ARG 72 -4.608 -5.233 10.911 524 2HH2 ARG 72 HH22 ARG 72 -6.273 -4.924 11.275 525 HA PRO 73 HA PRO 73 2.523 -0.137 15.035 526 1HB PRO 73 HB2 PRO 73 0.394 -0.650 16.874 527 2HB PRO 73 HB1 PRO 73 1.037 0.914 16.371 528 1HG PRO 73 HG2 PRO 73 -1.349 -0.543 15.406 529 2HG PRO 73 HG1 PRO 73 -1.020 1.198 15.421 530 1HD PRO 73 HD2 PRO 73 -0.989 -0.222 13.147 531 2HD PRO 73 HD1 PRO 73 0.141 1.120 13.415 532 H GLY 74 HN GLY 74 3.606 -2.159 14.502 533 1HA GLY 74 HA2 GLY 74 2.629 -4.567 15.803 534 2HA GLY 74 HA1 GLY 74 4.033 -4.439 14.754 535 1H GLU 180 HT1 GLU 180 15.425 13.361 0.897 536 2H GLU 180 HT2 GLU 180 14.041 12.891 -0.004 537 3H GLU 180 HT3 GLU 180 14.297 14.545 0.379 538 HA GLU 180 HA GLU 180 14.815 13.831 -1.932 539 1HB GLU 180 HB2 GLU 180 16.882 15.157 -0.165 540 2HB GLU 180 HB1 GLU 180 16.888 15.235 -1.921 541 1HG GLU 180 HG2 GLU 180 14.316 16.012 -0.976 542 2HG GLU 180 HG1 GLU 180 15.548 16.912 -0.095 543 H GLU 181 HN GLU 181 15.448 12.009 -2.889 544 HA GLU 181 HA GLU 181 18.120 11.084 -2.700 545 1HB GLU 181 HB2 GLU 181 17.115 10.165 -0.575 546 2HB GLU 181 HB1 GLU 181 16.059 9.183 -1.580 547 1HG GLU 181 HG2 GLU 181 17.847 7.917 -2.415 548 2HG GLU 181 HG1 GLU 181 19.044 9.076 -1.837 549 H ARG 182 HN ARG 182 17.475 11.666 -4.960 550 HA ARG 182 HA ARG 182 17.204 10.988 -7.115 551 1HB ARG 182 HB2 ARG 182 16.668 8.192 -6.136 552 2HB ARG 182 HB1 ARG 182 17.345 8.697 -7.678 553 1HG ARG 182 HG2 ARG 182 18.678 8.816 -4.982 554 2HG ARG 182 HG1 ARG 182 19.088 7.760 -6.335 555 1HD ARG 182 HD2 ARG 182 20.662 9.377 -6.646 556 2HD ARG 182 HD1 ARG 182 19.346 10.080 -7.585 557 HE ARG 182 HE ARG 182 19.374 10.891 -4.825 558 1HH1 ARG 182 HH11 ARG 182 20.590 11.568 -8.025 559 2HH1 ARG 182 HH12 ARG 182 20.907 13.236 -7.687 560 1HH2 ARG 182 HH21 ARG 182 19.791 13.086 -4.379 561 2HH2 ARG 182 HH22 ARG 182 20.454 14.099 -5.618 562 H GLY 183 HN GLY 183 14.968 8.891 -5.276 563 1HA GLY 183 HA2 GLY 183 12.812 9.758 -7.074 564 2HA GLY 183 HA1 GLY 183 12.783 8.332 -6.053 565 H TRP 184 HN TRP 184 10.561 9.432 -5.694 566 HA TRP 184 HA TRP 184 10.838 11.324 -3.454 567 1HB TRP 184 HB2 TRP 184 8.376 11.879 -4.136 568 2HB TRP 184 HB1 TRP 184 9.714 12.567 -5.056 569 HD1 TRP 184 HD1 TRP 184 10.294 11.323 -7.436 570 HE1 TRP 184 HE1 TRP 184 8.752 10.054 -9.054 571 HE3 TRP 184 HE3 TRP 184 6.337 10.498 -4.303 572 HZ2 TRP 184 HZ2 TRP 184 6.214 8.878 -9.013 573 HZ3 TRP 184 HZ3 TRP 184 4.373 9.295 -5.188 574 HH2 TRP 184 HH2 TRP 184 4.313 8.500 -7.498 575 H LYS 185 HN LYS 185 8.373 9.110 -4.682 576 HA LYS 185 HA LYS 185 8.220 7.858 -2.058 577 1HB LYS 185 HB2 LYS 185 6.300 9.714 -3.009 578 2HB LYS 185 HB1 LYS 185 5.543 8.135 -3.002 579 1HG LYS 185 HG2 LYS 185 5.467 8.061 -0.782 580 2HG LYS 185 HG1 LYS 185 7.077 8.749 -0.617 581 1HD LYS 185 HD2 LYS 185 5.129 10.089 0.277 582 2HD LYS 185 HD1 LYS 185 6.299 10.916 -0.752 583 1HE LYS 185 HE2 LYS 185 4.076 9.724 -2.225 584 2HE LYS 185 HE1 LYS 185 3.567 10.954 -1.068 585 1HZ LYS 185 HZ1 LYS 185 4.267 12.522 -2.444 586 2HZ LYS 185 HZ2 LYS 185 4.667 11.344 -3.589 587 3HZ LYS 185 HZ3 LYS 185 5.829 11.870 -2.479 588 H HIS 186 HN HIS 186 8.760 5.851 -2.555 589 HA HIS 186 HA HIS 186 6.965 4.376 -4.327 590 1HB HIS 186 HB2 HIS 186 9.274 5.074 -5.444 591 2HB HIS 186 HB1 HIS 186 9.858 3.682 -4.541 592 HD1 HIS 186 HD1 HIS 186 6.584 2.729 -5.332 593 HD2 HIS 186 HD2 HIS 186 10.074 3.084 -7.560 594 HE1 HIS 186 HE1 HIS 186 6.230 1.298 -7.368 595 HE2 HIS 186 HE2 HIS 186 8.383 1.469 -8.665 596 H TRP 187 HN TRP 187 6.320 2.501 -3.386 597 HA TRP 187 HA TRP 187 7.970 1.339 -1.227 598 1HB TRP 187 HB2 TRP 187 5.473 2.721 -0.956 599 2HB TRP 187 HB1 TRP 187 5.277 1.061 -0.450 600 HD1 TRP 187 HD1 TRP 187 6.485 4.356 0.729 601 HE1 TRP 187 HE1 TRP 187 7.484 4.184 3.056 602 HE3 TRP 187 HE3 TRP 187 6.771 -0.715 1.087 603 HZ2 TRP 187 HZ2 TRP 187 8.305 2.177 4.832 604 HZ3 TRP 187 HZ3 TRP 187 7.689 -1.678 3.122 605 HH2 TRP 187 HH2 TRP 187 8.431 -0.267 4.982 606 H VAL 188 HN VAL 188 7.197 -0.739 -0.531 607 HA VAL 188 HA VAL 188 5.451 -2.265 -2.241 608 HB VAL 188 HB VAL 188 8.128 -3.513 -1.770 609 1HG1 VAL 188 HG11 VAL 188 7.554 -4.852 -3.643 610 2HG1 VAL 188 HG12 VAL 188 6.252 -3.758 -4.115 611 3HG1 VAL 188 HG13 VAL 188 6.101 -4.732 -2.651 612 1HG2 VAL 188 HG21 VAL 188 7.548 -1.703 -4.116 613 2HG2 VAL 188 HG22 VAL 188 9.000 -2.676 -3.876 614 3HG2 VAL 188 HG23 VAL 188 8.649 -1.333 -2.789 615 H TYR 189 HN TYR 189 4.122 -2.603 -0.457 616 HA TYR 189 HA TYR 189 5.378 -3.753 1.937 617 1HB TYR 189 HB2 TYR 189 2.873 -2.253 1.404 618 2HB TYR 189 HB1 TYR 189 2.827 -3.473 2.666 619 HD1 TYR 189 HD1 TYR 189 3.050 -0.142 2.288 620 HD2 TYR 189 HD2 TYR 189 5.248 -3.287 4.109 621 HE1 TYR 189 HE1 TYR 189 3.995 1.462 3.867 622 HE2 TYR 189 HE2 TYR 189 6.215 -1.685 5.705 623 HH TYR 189 HH TYR 189 5.861 1.724 5.333 624 H TYR 190 HN TYR 190 5.272 -5.852 2.353 625 HA TYR 190 HA TYR 190 3.439 -7.489 0.743 626 1HB TYR 190 HB2 TYR 190 5.954 -8.328 2.203 627 2HB TYR 190 HB1 TYR 190 4.963 -9.363 1.189 628 HD1 TYR 190 HD1 TYR 190 6.167 -5.888 0.489 629 HD2 TYR 190 HD2 TYR 190 6.409 -10.015 -0.504 630 HE1 TYR 190 HE1 TYR 190 7.578 -5.344 -1.433 631 HE2 TYR 190 HE2 TYR 190 7.820 -9.482 -2.434 632 HH TYR 190 HH TYR 190 9.318 -7.672 -3.171 633 H THR 191 HN THR 191 1.780 -8.583 1.777 634 HA THR 191 HA THR 191 1.517 -8.325 4.626 635 HB THR 191 HB THR 191 -0.465 -9.534 4.512 636 HG1 THR 191 HG1 THR 191 0.768 -10.860 2.418 637 1HG2 THR 191 HG21 THR 191 -1.777 -8.700 2.741 638 2HG2 THR 191 HG22 THR 191 -0.364 -8.494 1.708 639 3HG2 THR 191 HG23 THR 191 -0.582 -7.461 3.123 640 H CYS 192 HN CYS 192 2.365 -9.561 6.136 641 HA CYS 192 HA CYS 192 2.617 -12.230 6.433 642 1HB CYS 192 HB2 CYS 192 3.894 -13.031 4.715 643 2HB CYS 192 HB1 CYS 192 4.380 -11.413 4.224 644 H CYS 193 HN CYS 193 4.723 -9.501 6.150 645 HA CYS 193 HA CYS 193 5.761 -10.018 8.844 646 1HB CYS 193 HB2 CYS 193 7.872 -9.104 7.212 647 2HB CYS 193 HB1 CYS 193 7.656 -10.723 7.872 648 HA PRO 194 HA PRO 194 5.222 -5.583 9.035 649 1HB PRO 194 HB2 PRO 194 4.947 -5.402 11.634 650 2HB PRO 194 HB1 PRO 194 3.781 -6.365 10.715 651 1HG PRO 194 HG2 PRO 194 6.107 -7.286 12.351 652 2HG PRO 194 HG1 PRO 194 4.467 -7.956 12.261 653 1HD PRO 194 HD2 PRO 194 6.700 -8.861 10.821 654 2HD PRO 194 HD1 PRO 194 5.003 -9.252 10.472 655 H ASP 195 HN ASP 195 7.916 -7.407 10.118 656 HA ASP 195 HA ASP 195 9.329 -4.976 10.973 657 1HB ASP 195 HB2 ASP 195 9.896 -7.889 11.526 658 2HB ASP 195 HB1 ASP 195 10.976 -6.577 11.985 659 H THR 196 HN THR 196 8.978 -6.749 8.222 660 HA THR 196 HA THR 196 11.622 -5.907 7.303 661 HB THR 196 HB THR 196 11.798 -8.298 7.872 662 HG1 THR 196 HG1 THR 196 13.159 -7.960 6.284 663 1HG2 THR 196 HG21 THR 196 10.598 -9.674 5.873 664 2HG2 THR 196 HG22 THR 196 9.367 -8.477 6.271 665 3HG2 THR 196 HG23 THR 196 9.989 -9.548 7.524 666 HA PRO 197 HA PRO 197 8.334 -4.954 4.172 667 1HB PRO 197 HB2 PRO 197 8.389 -2.185 4.725 668 2HB PRO 197 HB1 PRO 197 7.129 -3.324 5.188 669 1HG PRO 197 HG2 PRO 197 8.829 -1.953 6.933 670 2HG PRO 197 HG1 PRO 197 7.836 -3.362 7.342 671 1HD PRO 197 HD2 PRO 197 10.741 -3.217 6.658 672 2HD PRO 197 HD1 PRO 197 9.902 -4.269 7.819 673 H TYR 198 HN TYR 198 8.661 -3.838 2.114 674 HA TYR 198 HA TYR 198 11.402 -2.779 1.816 675 1HB TYR 198 HB2 TYR 198 10.171 -4.054 -0.559 676 2HB TYR 198 HB1 TYR 198 11.842 -4.055 -0.019 677 HD1 TYR 198 HD1 TYR 198 11.581 -5.249 2.678 678 HD2 TYR 198 HD2 TYR 198 9.684 -6.223 -0.991 679 HE1 TYR 198 HE1 TYR 198 11.282 -7.561 3.452 680 HE2 TYR 198 HE2 TYR 198 9.380 -8.523 -0.235 681 HH TYR 198 HH TYR 198 10.923 -9.769 2.568 682 H LEU 199 HN LEU 199 11.719 -1.074 0.395 683 HA LEU 199 HA LEU 199 9.372 0.074 -0.895 684 1HB LEU 199 HB2 LEU 199 10.682 2.328 0.078 685 2HB LEU 199 HB1 LEU 199 9.122 1.710 0.567 686 HG LEU 199 HG LEU 199 9.959 0.754 2.496 687 1HD1 LEU 199 HD11 LEU 199 12.664 1.002 2.717 688 2HD1 LEU 199 HD12 LEU 199 12.489 0.596 1.010 689 3HD1 LEU 199 HD13 LEU 199 11.833 -0.480 2.245 690 1HD2 LEU 199 HD21 LEU 199 10.749 2.560 3.659 691 2HD2 LEU 199 HD22 LEU 199 10.107 3.339 2.212 692 3HD2 LEU 199 HD23 LEU 199 11.841 3.053 2.365 693 H ASP 200 HN ASP 200 10.425 2.448 -1.752 694 HA ASP 200 HA ASP 200 13.017 2.222 -2.860 695 1HB ASP 200 HB2 ASP 200 11.243 0.644 -4.200 696 2HB ASP 200 HB1 ASP 200 11.122 2.146 -5.113 697 H ILE 201 HN ILE 201 13.201 3.829 -4.813 698 HA ILE 201 HA ILE 201 11.444 6.135 -4.464 699 HB ILE 201 HB ILE 201 13.841 7.415 -4.668 700 1HG1 ILE 201 HG12 ILE 201 14.267 5.068 -2.804 701 2HG1 ILE 201 HG11 ILE 201 15.111 5.336 -4.325 702 1HG2 ILE 201 HG21 ILE 201 13.252 8.370 -2.701 703 2HG2 ILE 201 HG22 ILE 201 12.942 6.822 -1.915 704 3HG2 ILE 201 HG23 ILE 201 11.749 7.506 -3.020 705 1HD1 ILE 201 HD11 ILE 201 15.289 7.575 -2.460 706 2HD1 ILE 201 HD12 ILE 201 16.545 6.774 -3.403 707 3HD1 ILE 201 HD13 ILE 201 16.014 6.078 -1.873 708 H THR 202 HN THR 202 14.600 6.127 -6.042 709 HA THR 202 HA THR 202 13.602 5.542 -8.648 710 HB THR 202 HB THR 202 14.309 8.423 -8.057 711 HG1 THR 202 HG1 THR 202 11.821 7.246 -8.738 712 1HG2 THR 202 HG21 THR 202 14.362 7.012 -10.501 713 2HG2 THR 202 HG22 THR 202 14.569 8.741 -10.223 714 3HG2 THR 202 HG23 THR 202 12.962 8.083 -10.528 715 H GLU 203 HN GLU 203 15.758 4.726 -6.913 716 HA GLU 203 HA GLU 203 18.213 5.864 -7.781 717 1HB GLU 203 HB2 GLU 203 17.816 3.096 -6.646 718 2HB GLU 203 HB1 GLU 203 19.280 4.068 -6.605 719 1HG GLU 203 HG2 GLU 203 17.799 5.744 -5.275 720 2HG GLU 203 HG1 GLU 203 16.788 4.329 -4.992 721 H GLU 204 HN GLU 204 16.996 2.563 -8.372 722 HA GLU 204 HA GLU 204 17.360 2.694 -11.179 723 1HB GLU 204 HB2 GLU 204 19.237 0.944 -11.200 724 2HB GLU 204 HB1 GLU 204 19.683 2.613 -10.876 725 1HG GLU 204 HG2 GLU 204 19.099 1.368 -8.397 726 2HG GLU 204 HG1 GLU 204 20.173 0.305 -9.307 Start of MODEL 16 1 1H ILE 1 HT1 ILE 1 -10.251 15.111 3.454 2 2H ILE 1 HT2 ILE 1 -11.871 14.574 3.629 3 3H ILE 1 HT3 ILE 1 -10.958 14.115 2.250 4 HA ILE 1 HA ILE 1 -10.576 13.286 5.045 5 HB ILE 1 HB ILE 1 -10.710 11.387 2.769 6 1HG1 ILE 1 HG12 ILE 1 -12.605 12.998 2.386 7 2HG1 ILE 1 HG11 ILE 1 -13.117 11.343 2.702 8 1HG2 ILE 1 HG21 ILE 1 -10.347 10.329 4.784 9 2HG2 ILE 1 HG22 ILE 1 -12.097 10.199 4.615 10 3HG2 ILE 1 HG23 ILE 1 -11.403 11.427 5.673 11 1HD1 ILE 1 HD11 ILE 1 -14.470 13.086 3.845 12 2HD1 ILE 1 HD12 ILE 1 -13.043 13.501 4.794 13 3HD1 ILE 1 HD13 ILE 1 -13.756 11.893 4.931 14 H VAL 2 HN VAL 2 -8.898 11.744 5.346 15 HA VAL 2 HA VAL 2 -6.479 12.467 3.858 16 HB VAL 2 HB VAL 2 -6.816 11.007 6.492 17 1HG1 VAL 2 HG11 VAL 2 -4.359 11.525 6.730 18 2HG1 VAL 2 HG12 VAL 2 -4.361 11.966 5.023 19 3HG1 VAL 2 HG13 VAL 2 -4.758 10.318 5.507 20 1HG2 VAL 2 HG21 VAL 2 -6.529 12.974 7.614 21 2HG2 VAL 2 HG22 VAL 2 -7.368 13.577 6.186 22 3HG2 VAL 2 HG23 VAL 2 -5.614 13.722 6.305 23 H CYS 3 HN CYS 3 -4.925 10.628 3.429 24 HA CYS 3 HA CYS 3 -6.162 8.013 3.315 25 1HB CYS 3 HB2 CYS 3 -6.663 9.440 1.162 26 2HB CYS 3 HB1 CYS 3 -5.020 8.984 0.734 27 H HIS 4 HN HIS 4 -4.784 6.372 3.415 28 HA HIS 4 HA HIS 4 -1.982 6.971 3.844 29 1HB HIS 4 HB2 HIS 4 -3.753 4.580 4.223 30 2HB HIS 4 HB1 HIS 4 -2.017 4.327 4.090 31 HD1 HIS 4 HD1 HIS 4 -1.527 7.156 5.712 32 HD2 HIS 4 HD2 HIS 4 -3.647 3.797 6.928 33 HE1 HIS 4 HE1 HIS 4 -1.507 7.224 8.223 34 HE2 HIS 4 HE2 HIS 4 -2.867 5.227 8.936 35 H THR 5 HN THR 5 -0.418 5.372 2.815 36 HA THR 5 HA THR 5 -1.026 4.201 0.338 37 HB THR 5 HB THR 5 -1.176 6.196 -0.794 38 HG1 THR 5 HG1 THR 5 0.773 6.510 -1.885 39 1HG2 THR 5 HG21 THR 5 0.646 8.033 -0.306 40 2HG2 THR 5 HG22 THR 5 0.626 7.268 1.279 41 3HG2 THR 5 HG23 THR 5 -0.857 7.940 0.612 42 H THR 6 HN THR 6 1.040 3.609 -0.849 43 HA THR 6 HA THR 6 3.267 3.283 1.010 44 HB THR 6 HB THR 6 3.440 0.977 -0.021 45 HG1 THR 6 HG1 THR 6 1.915 1.447 -1.722 46 1HG2 THR 6 HG21 THR 6 2.670 1.220 2.249 47 2HG2 THR 6 HG22 THR 6 1.706 -0.008 1.423 48 3HG2 THR 6 HG23 THR 6 1.052 1.613 1.677 49 H ALA 7 HN ALA 7 4.682 4.715 -0.055 50 HA ALA 7 HA ALA 7 5.723 3.772 -2.548 51 1HB ALA 7 HB1 ALA 7 5.149 5.626 -3.942 52 2HB ALA 7 HB2 ALA 7 4.293 6.406 -2.614 53 3HB ALA 7 HB3 ALA 7 3.692 4.893 -3.281 54 H THR 8 HN THR 8 5.850 6.484 -0.165 55 HA THR 8 HA THR 8 8.405 7.311 -1.211 56 HB THR 8 HB THR 8 8.358 9.090 0.163 57 HG1 THR 8 HG1 THR 8 7.045 7.746 2.262 58 1HG2 THR 8 HG21 THR 8 5.629 8.239 -0.190 59 2HG2 THR 8 HG22 THR 8 6.333 9.850 -0.238 60 3HG2 THR 8 HG23 THR 8 5.841 9.148 1.299 61 H SER 9 HN SER 9 9.506 7.621 1.704 62 HA SER 9 HA SER 9 11.117 5.280 1.565 63 1HB SER 9 HB2 SER 9 11.009 6.845 4.112 64 2HB SER 9 HB1 SER 9 12.398 6.192 3.252 65 HG SER 9 HG SER 9 11.971 7.854 1.642 66 HA PRO 10 HA PRO 10 8.270 3.574 4.878 67 1HB PRO 10 HB2 PRO 10 7.047 5.193 6.641 68 2HB PRO 10 HB1 PRO 10 8.789 4.908 6.735 69 1HG PRO 10 HG2 PRO 10 7.362 7.342 5.985 70 2HG PRO 10 HG1 PRO 10 9.076 7.133 6.377 71 1HD PRO 10 HD2 PRO 10 7.751 7.190 3.755 72 2HD PRO 10 HD1 PRO 10 9.464 7.421 4.143 73 H ILE 11 HN ILE 11 5.686 3.928 5.792 74 HA ILE 11 HA ILE 11 4.124 3.864 3.434 75 HB ILE 11 HB ILE 11 3.514 3.899 6.353 76 1HG1 ILE 11 HG12 ILE 11 1.894 2.054 5.099 77 2HG1 ILE 11 HG11 ILE 11 3.335 2.068 4.085 78 1HG2 ILE 11 HG21 ILE 11 1.798 5.347 5.956 79 2HG2 ILE 11 HG22 ILE 11 1.001 3.828 5.546 80 3HG2 ILE 11 HG23 ILE 11 1.635 4.865 4.267 81 1HD1 ILE 11 HD11 ILE 11 3.704 0.392 5.671 82 2HD1 ILE 11 HD12 ILE 11 3.104 1.391 6.993 83 3HD1 ILE 11 HD13 ILE 11 4.652 1.768 6.236 84 H SER 12 HN SER 12 2.852 5.488 2.453 85 HA SER 12 HA SER 12 3.617 8.208 3.202 86 1HB SER 12 HB2 SER 12 2.398 8.608 0.869 87 2HB SER 12 HB1 SER 12 4.052 8.006 0.932 88 HG SER 12 HG SER 12 3.302 5.946 0.577 89 H ALA 13 HN ALA 13 1.921 9.923 2.869 90 HA ALA 13 HA ALA 13 -0.800 9.030 3.438 91 1HB ALA 13 HB1 ALA 13 0.062 9.271 5.646 92 2HB ALA 13 HB2 ALA 13 -0.959 10.672 5.325 93 3HB ALA 13 HB3 ALA 13 0.796 10.825 5.255 94 H VAL 14 HN VAL 14 -1.784 9.919 1.723 95 HA VAL 14 HA VAL 14 -1.399 12.808 1.276 96 HB VAL 14 HB VAL 14 -1.940 12.423 -1.110 97 1HG1 VAL 14 HG11 VAL 14 0.435 12.351 -0.006 98 2HG1 VAL 14 HG12 VAL 14 0.226 11.955 -1.711 99 3HG1 VAL 14 HG13 VAL 14 0.393 10.665 -0.520 100 1HG2 VAL 14 HG21 VAL 14 -2.926 10.034 -0.340 101 2HG2 VAL 14 HG22 VAL 14 -1.340 9.543 -0.938 102 3HG2 VAL 14 HG23 VAL 14 -2.452 10.413 -1.996 103 H THR 15 HN THR 15 -3.234 14.021 0.717 104 HA THR 15 HA THR 15 -5.712 12.929 1.739 105 HB THR 15 HB THR 15 -4.859 15.267 2.236 106 HG1 THR 15 HG1 THR 15 -6.855 15.688 2.677 107 1HG2 THR 15 HG21 THR 15 -5.861 15.814 -0.545 108 2HG2 THR 15 HG22 THR 15 -4.194 15.963 0.012 109 3HG2 THR 15 HG23 THR 15 -5.439 17.031 0.659 110 H CYS 16 HN CYS 16 -7.688 12.877 0.583 111 HA CYS 16 HA CYS 16 -7.317 12.273 -2.238 112 1HB CYS 16 HB2 CYS 16 -9.661 11.877 -0.376 113 2HB CYS 16 HB1 CYS 16 -9.684 11.456 -2.083 114 HA PRO 17 HA PRO 17 -9.159 16.062 -3.607 115 1HB PRO 17 HB2 PRO 17 -9.704 15.430 -6.150 116 2HB PRO 17 HB1 PRO 17 -8.039 15.553 -5.571 117 1HG PRO 17 HG2 PRO 17 -9.710 13.116 -6.038 118 2HG PRO 17 HG1 PRO 17 -8.000 13.391 -6.418 119 1HD PRO 17 HD2 PRO 17 -8.904 12.030 -4.198 120 2HD PRO 17 HD1 PRO 17 -7.325 12.830 -4.310 121 HA PRO 18 HA PRO 18 -13.578 16.004 -3.589 122 1HB PRO 18 HB2 PRO 18 -13.817 17.367 -6.188 123 2HB PRO 18 HB1 PRO 18 -14.269 17.933 -4.578 124 1HG PRO 18 HG2 PRO 18 -12.161 18.954 -5.890 125 2HG PRO 18 HG1 PRO 18 -12.159 18.754 -4.128 126 1HD PRO 18 HD2 PRO 18 -10.881 17.043 -6.232 127 2HD PRO 18 HD1 PRO 18 -10.235 17.567 -4.661 128 H GLY 19 HN GLY 19 -12.997 13.573 -4.271 129 1HA GLY 19 HA2 GLY 19 -15.103 12.769 -6.014 130 2HA GLY 19 HA1 GLY 19 -13.535 12.552 -6.781 131 H GLU 20 HN GLU 20 -12.036 11.069 -5.855 132 HA GLU 20 HA GLU 20 -13.267 8.756 -4.726 133 1HB GLU 20 HB2 GLU 20 -10.809 8.034 -4.437 134 2HB GLU 20 HB1 GLU 20 -11.400 8.276 -6.076 135 1HG GLU 20 HG2 GLU 20 -10.192 10.612 -4.772 136 2HG GLU 20 HG1 GLU 20 -9.106 9.269 -5.126 137 H ASN 21 HN ASN 21 -14.169 9.239 -2.804 138 HA ASN 21 HA ASN 21 -12.615 10.588 -0.772 139 1HB ASN 21 HB2 ASN 21 -15.490 9.947 -1.166 140 2HB ASN 21 HB1 ASN 21 -14.919 10.180 0.486 141 1HD2 ASN 21 HD21 ASN 21 -13.010 12.077 0.134 142 2HD2 ASN 21 HD22 ASN 21 -13.733 13.550 -0.415 143 H LEU 22 HN LEU 22 -11.650 7.955 -1.360 144 HA LEU 22 HA LEU 22 -11.802 6.971 1.338 145 1HB LEU 22 HB2 LEU 22 -12.145 4.573 -0.040 146 2HB LEU 22 HB1 LEU 22 -13.297 5.379 0.994 147 HG LEU 22 HG LEU 22 -13.284 6.421 -1.629 148 1HD1 LEU 22 HD11 LEU 22 -13.765 4.683 -2.955 149 2HD1 LEU 22 HD12 LEU 22 -14.556 3.798 -1.649 150 3HD1 LEU 22 HD13 LEU 22 -12.795 3.825 -1.760 151 1HD2 LEU 22 HD21 LEU 22 -15.654 6.302 -1.410 152 2HD2 LEU 22 HD22 LEU 22 -14.964 6.853 0.117 153 3HD2 LEU 22 HD23 LEU 22 -15.492 5.179 -0.060 154 H CYS 23 HN CYS 23 -10.669 4.516 1.004 155 HA CYS 23 HA CYS 23 -8.137 4.947 -0.391 156 1HB CYS 23 HB2 CYS 23 -8.357 4.149 2.506 157 2HB CYS 23 HB1 CYS 23 -6.875 4.239 1.570 158 H TYR 24 HN TYR 24 -7.809 3.209 -1.636 159 HA TYR 24 HA TYR 24 -9.179 0.743 -0.979 160 1HB TYR 24 HB2 TYR 24 -8.624 -0.005 -3.189 161 2HB TYR 24 HB1 TYR 24 -9.202 1.655 -3.301 162 HD1 TYR 24 HD1 TYR 24 -6.350 -0.577 -3.749 163 HD2 TYR 24 HD2 TYR 24 -7.643 3.481 -3.757 164 HE1 TYR 24 HE1 TYR 24 -4.299 0.069 -4.911 165 HE2 TYR 24 HE2 TYR 24 -5.589 4.133 -4.936 166 HH TYR 24 HH TYR 24 -3.559 1.963 -6.443 167 H ARG 25 HN ARG 25 -8.230 -1.220 -0.716 168 HA ARG 25 HA ARG 25 -5.339 -1.257 -0.162 169 1HB ARG 25 HB2 ARG 25 -7.636 -2.381 1.423 170 2HB ARG 25 HB1 ARG 25 -6.050 -3.135 1.508 171 1HG ARG 25 HG2 ARG 25 -5.318 -0.628 1.987 172 2HG ARG 25 HG1 ARG 25 -6.983 -0.538 2.567 173 1HD ARG 25 HD2 ARG 25 -5.813 -1.158 4.466 174 2HD ARG 25 HD1 ARG 25 -6.409 -2.699 3.856 175 HE ARG 25 HE ARG 25 -3.646 -1.741 3.797 176 1HH1 ARG 25 HH11 ARG 25 -5.946 -4.277 3.073 177 2HH1 ARG 25 HH12 ARG 25 -4.724 -5.479 2.836 178 1HH2 ARG 25 HH21 ARG 25 -2.054 -3.329 3.496 179 2HH2 ARG 25 HH22 ARG 25 -2.519 -4.944 3.079 180 H LYS 26 HN LYS 26 -4.826 -2.157 -2.172 181 HA LYS 26 HA LYS 26 -6.101 -4.754 -2.730 182 1HB LYS 26 HB2 LYS 26 -5.303 -4.429 -5.066 183 2HB LYS 26 HB1 LYS 26 -6.497 -3.257 -4.533 184 1HG LYS 26 HG2 LYS 26 -5.137 -1.645 -5.183 185 2HG LYS 26 HG1 LYS 26 -4.000 -2.138 -3.927 186 1HD LYS 26 HD2 LYS 26 -2.975 -2.061 -6.176 187 2HD LYS 26 HD1 LYS 26 -2.925 -3.665 -5.442 188 1HE LYS 26 HE2 LYS 26 -4.248 -4.566 -7.001 189 2HE LYS 26 HE1 LYS 26 -5.309 -3.155 -7.053 190 1HZ LYS 26 HZ1 LYS 26 -2.648 -2.826 -8.193 191 2HZ LYS 26 HZ2 LYS 26 -4.136 -2.224 -8.728 192 3HZ LYS 26 HZ3 LYS 26 -3.707 -3.829 -9.049 193 H MET 27 HN MET 27 -4.981 -6.554 -2.768 194 HA MET 27 HA MET 27 -2.087 -6.451 -2.983 195 1HB MET 27 HB2 MET 27 -2.266 -8.192 -0.909 196 2HB MET 27 HB1 MET 27 -1.895 -6.486 -0.726 197 1HG MET 27 HG2 MET 27 -3.886 -6.008 0.214 198 2HG MET 27 HG1 MET 27 -4.754 -7.204 -0.745 199 1HE MET 27 HE1 MET 27 -5.747 -6.766 1.685 200 2HE MET 27 HE2 MET 27 -5.308 -7.734 3.092 201 3HE MET 27 HE3 MET 27 -6.166 -8.478 1.743 202 H TRP 28 HN TRP 28 -1.202 -8.223 -3.866 203 HA TRP 28 HA TRP 28 -2.954 -10.523 -4.384 204 1HB TRP 28 HB2 TRP 28 -1.839 -10.775 -6.582 205 2HB TRP 28 HB1 TRP 28 -2.752 -9.279 -6.438 206 HD1 TRP 28 HD1 TRP 28 0.796 -10.593 -6.700 207 HE1 TRP 28 HE1 TRP 28 2.364 -8.623 -7.296 208 HE3 TRP 28 HE3 TRP 28 -2.516 -6.794 -6.161 209 HZ2 TRP 28 HZ2 TRP 28 2.180 -5.794 -7.498 210 HZ3 TRP 28 HZ3 TRP 28 -1.772 -4.483 -6.560 211 HH2 TRP 28 HH2 TRP 28 0.530 -3.987 -7.201 212 H CYS 29 HN CYS 29 -0.954 -12.073 -5.694 213 HA CYS 29 HA CYS 29 0.675 -12.740 -3.347 214 1HB CYS 29 HB2 CYS 29 -0.997 -14.331 -4.793 215 2HB CYS 29 HB1 CYS 29 0.552 -14.694 -5.542 216 H ASP 30 HN ASP 30 2.712 -12.218 -3.314 217 HA ASP 30 HA ASP 30 4.295 -12.596 -5.731 218 1HB ASP 30 HB2 ASP 30 3.511 -10.085 -5.129 219 2HB ASP 30 HB1 ASP 30 5.000 -10.181 -4.191 220 H ALA 31 HN ALA 31 5.138 -14.386 -4.759 221 HA ALA 31 HA ALA 31 7.054 -15.288 -3.843 222 1HB ALA 31 HB1 ALA 31 8.556 -14.062 -2.802 223 2HB ALA 31 HB2 ALA 31 7.403 -13.530 -1.587 224 3HB ALA 31 HB3 ALA 31 7.505 -12.692 -3.130 225 H PHE 32 HN PHE 32 4.285 -14.187 -1.882 226 HA PHE 32 HA PHE 32 4.798 -16.025 0.245 227 1HB PHE 32 HB2 PHE 32 2.940 -14.082 -0.084 228 2HB PHE 32 HB1 PHE 32 1.972 -15.486 -0.472 229 HD1 PHE 32 HD1 PHE 32 0.517 -15.479 1.382 230 HD2 PHE 32 HD2 PHE 32 4.730 -15.392 1.979 231 HE1 PHE 32 HE1 PHE 32 0.180 -15.921 3.780 232 HE2 PHE 32 HE2 PHE 32 4.402 -15.837 4.380 233 HZ PHE 32 HZ PHE 32 2.125 -16.102 5.282 234 H CYS 33 HN CYS 33 3.383 -16.094 -2.883 235 HA CYS 33 HA CYS 33 2.393 -18.778 -2.695 236 1HB CYS 33 HB2 CYS 33 2.644 -16.700 -4.860 237 2HB CYS 33 HB1 CYS 33 2.273 -18.372 -5.287 238 H SER 34 HN SER 34 5.189 -17.015 -3.792 239 HA SER 34 HA SER 34 6.534 -19.423 -4.719 240 1HB SER 34 HB2 SER 34 7.987 -16.836 -4.642 241 2HB SER 34 HB1 SER 34 7.940 -18.069 -5.900 242 HG SER 34 HG SER 34 6.014 -16.074 -5.335 243 H SER 35 HN SER 35 7.786 -16.690 -2.772 244 HA SER 35 HA SER 35 8.657 -18.591 -0.730 245 1HB SER 35 HB2 SER 35 10.931 -17.973 -0.800 246 2HB SER 35 HB1 SER 35 10.460 -18.233 -2.479 247 HG SER 35 HG SER 35 11.097 -16.271 -2.818 248 H ARG 36 HN ARG 36 8.727 -15.058 -1.483 249 HA ARG 36 HA ARG 36 9.012 -14.409 1.284 250 1HB ARG 36 HB2 ARG 36 8.251 -12.307 -0.702 251 2HB ARG 36 HB1 ARG 36 9.261 -12.189 0.720 252 1HG ARG 36 HG2 ARG 36 10.907 -13.676 -0.537 253 2HG ARG 36 HG1 ARG 36 9.946 -13.298 -1.968 254 1HD ARG 36 HD2 ARG 36 10.234 -10.840 -1.250 255 2HD ARG 36 HD1 ARG 36 11.544 -11.447 -0.236 256 HE ARG 36 HE ARG 36 12.822 -11.748 -2.115 257 1HH1 ARG 36 HH11 ARG 36 9.503 -11.243 -3.065 258 2HH1 ARG 36 HH12 ARG 36 9.875 -11.104 -4.750 259 1HH2 ARG 36 HH21 ARG 36 13.315 -11.565 -4.331 260 2HH2 ARG 36 HH22 ARG 36 12.039 -11.286 -5.470 261 H GLY 37 HN GLY 37 6.522 -12.605 -0.594 262 1HA GLY 37 HA2 GLY 37 4.422 -13.768 0.988 263 2HA GLY 37 HA1 GLY 37 4.908 -12.196 1.563 264 H LYS 38 HN LYS 38 2.438 -12.173 1.022 265 HA LYS 38 HA LYS 38 1.708 -11.812 -1.703 266 1HB LYS 38 HB2 LYS 38 0.421 -11.711 0.898 267 2HB LYS 38 HB1 LYS 38 -0.137 -10.404 -0.137 268 1HG LYS 38 HG2 LYS 38 -1.400 -11.786 -1.325 269 2HG LYS 38 HG1 LYS 38 -0.058 -12.903 -1.573 270 1HD LYS 38 HD2 LYS 38 -0.595 -14.172 0.272 271 2HD LYS 38 HD1 LYS 38 -1.413 -12.836 1.083 272 1HE LYS 38 HE2 LYS 38 -2.690 -13.579 -1.423 273 2HE LYS 38 HE1 LYS 38 -2.622 -14.917 -0.276 274 1HZ LYS 38 HZ1 LYS 38 -4.608 -13.306 -0.202 275 2HZ LYS 38 HZ2 LYS 38 -3.547 -12.259 0.597 276 3HZ LYS 38 HZ3 LYS 38 -3.892 -13.777 1.257 277 H VAL 39 HN VAL 39 1.162 -9.786 -2.726 278 HA VAL 39 HA VAL 39 2.907 -7.611 -1.833 279 HB VAL 39 HB VAL 39 1.736 -8.432 -4.437 280 1HG1 VAL 39 HG11 VAL 39 2.522 -6.014 -5.201 281 2HG1 VAL 39 HG12 VAL 39 1.999 -5.593 -3.576 282 3HG1 VAL 39 HG13 VAL 39 0.864 -6.338 -4.702 283 1HG2 VAL 39 HG21 VAL 39 4.165 -8.678 -3.514 284 2HG2 VAL 39 HG22 VAL 39 4.324 -6.989 -3.989 285 3HG2 VAL 39 HG23 VAL 39 3.919 -8.208 -5.197 286 H VAL 40 HN VAL 40 2.228 -5.580 -1.381 287 HA VAL 40 HA VAL 40 -0.673 -5.102 -1.265 288 HB VAL 40 HB VAL 40 1.153 -4.141 0.917 289 1HG1 VAL 40 HG11 VAL 40 -1.733 -4.797 1.241 290 2HG1 VAL 40 HG12 VAL 40 -1.285 -3.323 0.382 291 3HG1 VAL 40 HG13 VAL 40 -0.756 -3.570 2.047 292 1HG2 VAL 40 HG21 VAL 40 1.486 -6.314 1.431 293 2HG2 VAL 40 HG22 VAL 40 0.089 -6.851 0.502 294 3HG2 VAL 40 HG23 VAL 40 -0.132 -6.174 2.115 295 H GLU 41 HN GLU 41 -1.331 -3.202 -1.923 296 HA GLU 41 HA GLU 41 0.550 -0.975 -2.137 297 1HB GLU 41 HB2 GLU 41 -1.087 -0.588 -4.312 298 2HB GLU 41 HB1 GLU 41 0.568 -1.186 -4.361 299 1HG GLU 41 HG2 GLU 41 -1.839 -2.939 -4.094 300 2HG GLU 41 HG1 GLU 41 -1.081 -2.538 -5.635 301 H LEU 42 HN LEU 42 -0.227 0.793 -1.211 302 HA LEU 42 HA LEU 42 -3.086 0.913 -0.560 303 1HB LEU 42 HB2 LEU 42 -0.841 2.565 0.576 304 2HB LEU 42 HB1 LEU 42 -2.473 2.451 1.190 305 HG LEU 42 HG LEU 42 -0.297 0.398 1.303 306 1HD1 LEU 42 HD11 LEU 42 0.019 1.113 3.364 307 2HD1 LEU 42 HD12 LEU 42 -1.680 0.843 3.751 308 3HD1 LEU 42 HD13 LEU 42 -1.165 2.389 3.077 309 1HD2 LEU 42 HD21 LEU 42 -2.312 -0.763 2.668 310 2HD2 LEU 42 HD22 LEU 42 -1.927 -1.125 0.986 311 3HD2 LEU 42 HD23 LEU 42 -3.211 0.021 1.369 312 H GLY 43 HN GLY 43 -4.367 2.631 -1.161 313 1HA GLY 43 HA2 GLY 43 -3.302 5.081 -2.163 314 2HA GLY 43 HA1 GLY 43 -3.818 4.041 -3.480 315 H CYS 44 HN CYS 44 -5.000 6.449 -3.232 316 HA CYS 44 HA CYS 44 -7.453 6.222 -1.711 317 1HB CYS 44 HB2 CYS 44 -6.313 8.402 -1.967 318 2HB CYS 44 HB1 CYS 44 -6.577 8.324 -3.705 319 H ALA 45 HN ALA 45 -9.578 6.252 -2.676 320 HA ALA 45 HA ALA 45 -9.838 5.775 -5.503 321 1HB ALA 45 HB1 ALA 45 -11.103 3.551 -4.932 322 2HB ALA 45 HB2 ALA 45 -10.031 3.550 -3.531 323 3HB ALA 45 HB3 ALA 45 -9.354 3.560 -5.160 324 H ALA 46 HN ALA 46 -12.080 5.527 -6.166 325 HA ALA 46 HA ALA 46 -13.907 6.908 -4.326 326 1HB ALA 46 HB1 ALA 46 -14.755 8.068 -6.077 327 2HB ALA 46 HB2 ALA 46 -14.613 6.704 -7.186 328 3HB ALA 46 HB3 ALA 46 -13.196 7.685 -6.810 329 H THR 47 HN THR 47 -13.556 4.224 -6.558 330 HA THR 47 HA THR 47 -15.433 2.661 -5.103 331 HB THR 47 HB THR 47 -16.986 3.993 -6.484 332 HG1 THR 47 HG1 THR 47 -18.167 2.278 -7.111 333 1HG2 THR 47 HG21 THR 47 -16.455 4.543 -8.556 334 2HG2 THR 47 HG22 THR 47 -16.711 2.858 -9.013 335 3HG2 THR 47 HG23 THR 47 -15.098 3.416 -8.564 336 H CYS 48 HN CYS 48 -12.817 2.301 -5.545 337 HA CYS 48 HA CYS 48 -11.759 0.980 -7.626 338 1HB CYS 48 HB2 CYS 48 -10.393 -0.285 -6.009 339 2HB CYS 48 HB1 CYS 48 -10.557 1.410 -5.563 340 HA PRO 49 HA PRO 49 -14.516 -2.622 -7.712 341 1HB PRO 49 HB2 PRO 49 -15.086 -2.581 -10.328 342 2HB PRO 49 HB1 PRO 49 -15.840 -1.438 -9.211 343 1HG PRO 49 HG2 PRO 49 -13.737 -0.980 -11.235 344 2HG PRO 49 HG1 PRO 49 -14.898 0.162 -10.540 345 1HD PRO 49 HD2 PRO 49 -12.145 -0.252 -9.802 346 2HD PRO 49 HD1 PRO 49 -13.299 0.912 -9.122 347 H SER 50 HN SER 50 -11.621 -2.626 -7.772 348 HA SER 50 HA SER 50 -10.917 -4.486 -9.896 349 1HB SER 50 HB2 SER 50 -9.197 -3.339 -7.689 350 2HB SER 50 HB1 SER 50 -8.625 -4.264 -9.077 351 HG SER 50 HG SER 50 -9.957 -1.758 -9.177 352 H LYS 51 HN LYS 51 -12.807 -5.523 -8.136 353 HA LYS 51 HA LYS 51 -11.375 -7.260 -6.294 354 1HB LYS 51 HB2 LYS 51 -13.722 -8.118 -5.802 355 2HB LYS 51 HB1 LYS 51 -13.364 -6.458 -5.347 356 1HG LYS 51 HG2 LYS 51 -14.493 -6.803 -8.040 357 2HG LYS 51 HG1 LYS 51 -15.566 -7.230 -6.704 358 1HD LYS 51 HD2 LYS 51 -14.618 -4.907 -5.770 359 2HD LYS 51 HD1 LYS 51 -14.470 -4.597 -7.502 360 1HE LYS 51 HE2 LYS 51 -16.940 -5.608 -7.465 361 2HE LYS 51 HE1 LYS 51 -16.888 -4.957 -5.828 362 1HZ LYS 51 HZ1 LYS 51 -16.329 -2.799 -6.725 363 2HZ LYS 51 HZ2 LYS 51 -17.763 -3.356 -7.427 364 3HZ LYS 51 HZ3 LYS 51 -16.317 -3.415 -8.301 365 H LYS 52 HN LYS 52 -11.118 -7.532 -9.268 366 HA LYS 52 HA LYS 52 -12.485 -9.660 -10.334 367 1HB LYS 52 HB2 LYS 52 -10.551 -10.049 -11.765 368 2HB LYS 52 HB1 LYS 52 -10.835 -8.323 -11.580 369 1HG LYS 52 HG2 LYS 52 -9.019 -8.124 -10.033 370 2HG LYS 52 HG1 LYS 52 -8.804 -9.876 -9.992 371 1HD LYS 52 HD2 LYS 52 -7.392 -9.731 -11.703 372 2HD LYS 52 HD1 LYS 52 -8.686 -9.071 -12.705 373 1HE LYS 52 HE2 LYS 52 -6.575 -7.676 -12.505 374 2HE LYS 52 HE1 LYS 52 -8.101 -6.853 -12.183 375 1HZ LYS 52 HZ1 LYS 52 -6.052 -6.624 -10.579 376 2HZ LYS 52 HZ2 LYS 52 -6.683 -8.048 -9.919 377 3HZ LYS 52 HZ3 LYS 52 -7.634 -6.652 -9.980 378 HA PRO 53 HA PRO 53 -11.561 -13.232 -7.919 379 1HB PRO 53 HB2 PRO 53 -11.331 -14.747 -10.454 380 2HB PRO 53 HB1 PRO 53 -12.427 -14.993 -9.092 381 1HG PRO 53 HG2 PRO 53 -13.304 -13.979 -11.403 382 2HG PRO 53 HG1 PRO 53 -13.936 -13.409 -9.848 383 1HD PRO 53 HD2 PRO 53 -11.939 -12.124 -11.670 384 2HD PRO 53 HD1 PRO 53 -13.252 -11.382 -10.731 385 H TYR 54 HN TYR 54 -9.351 -11.980 -7.751 386 HA TYR 54 HA TYR 54 -7.302 -13.955 -8.143 387 1HB TYR 54 HB2 TYR 54 -7.578 -12.467 -10.324 388 2HB TYR 54 HB1 TYR 54 -6.605 -11.336 -9.389 389 HD1 TYR 54 HD1 TYR 54 -6.146 -13.243 -11.987 390 HD2 TYR 54 HD2 TYR 54 -4.790 -13.170 -7.955 391 HE1 TYR 54 HE1 TYR 54 -4.114 -14.453 -12.655 392 HE2 TYR 54 HE2 TYR 54 -2.753 -14.381 -8.614 393 HH TYR 54 HH TYR 54 -1.617 -14.595 -11.580 394 H GLU 55 HN GLU 55 -7.512 -10.417 -7.713 395 HA GLU 55 HA GLU 55 -5.813 -10.699 -5.330 396 1HB GLU 55 HB2 GLU 55 -6.363 -8.036 -6.556 397 2HB GLU 55 HB1 GLU 55 -4.916 -8.618 -5.745 398 1HG GLU 55 HG2 GLU 55 -4.255 -9.870 -7.665 399 2HG GLU 55 HG1 GLU 55 -5.791 -9.546 -8.468 400 H GLU 56 HN GLU 56 -6.249 -9.170 -3.540 401 HA GLU 56 HA GLU 56 -9.156 -8.876 -3.156 402 1HB GLU 56 HB2 GLU 56 -7.611 -10.352 -1.626 403 2HB GLU 56 HB1 GLU 56 -7.207 -8.809 -0.888 404 1HG GLU 56 HG2 GLU 56 -10.022 -9.811 -1.206 405 2HG GLU 56 HG1 GLU 56 -9.039 -10.086 0.231 406 H VAL 57 HN VAL 57 -9.851 -6.858 -3.419 407 HA VAL 57 HA VAL 57 -8.188 -4.656 -2.388 408 HB VAL 57 HB VAL 57 -8.170 -4.651 -4.843 409 1HG1 VAL 57 HG11 VAL 57 -11.160 -4.451 -4.544 410 2HG1 VAL 57 HG12 VAL 57 -10.240 -5.715 -5.361 411 3HG1 VAL 57 HG13 VAL 57 -10.294 -4.086 -6.036 412 1HG2 VAL 57 HG21 VAL 57 -8.152 -2.536 -3.463 413 2HG2 VAL 57 HG22 VAL 57 -9.862 -2.364 -3.859 414 3HG2 VAL 57 HG23 VAL 57 -8.654 -2.351 -5.143 415 H THR 58 HN THR 58 -9.189 -3.149 -1.122 416 HA THR 58 HA THR 58 -12.121 -3.171 -0.992 417 HB THR 58 HB THR 58 -10.460 -3.198 1.519 418 HG1 THR 58 HG1 THR 58 -10.129 -5.215 1.043 419 1HG2 THR 58 HG21 THR 58 -12.629 -2.380 1.961 420 2HG2 THR 58 HG22 THR 58 -12.604 -4.064 2.486 421 3HG2 THR 58 HG23 THR 58 -13.377 -3.626 0.963 422 H CYS 59 HN CYS 59 -12.983 -1.209 -0.917 423 HA CYS 59 HA CYS 59 -11.226 1.101 -0.585 424 1HB CYS 59 HB2 CYS 59 -13.805 0.574 -1.943 425 2HB CYS 59 HB1 CYS 59 -13.576 2.188 -1.292 426 H CYS 60 HN CYS 60 -11.564 2.752 0.908 427 HA CYS 60 HA CYS 60 -13.746 2.446 2.829 428 1HB CYS 60 HB2 CYS 60 -12.235 2.564 4.764 429 2HB CYS 60 HB1 CYS 60 -11.947 1.122 3.796 430 H SER 61 HN SER 61 -14.639 4.380 3.241 431 HA SER 61 HA SER 61 -13.229 6.754 2.371 432 1HB SER 61 HB2 SER 61 -15.308 7.822 2.250 433 2HB SER 61 HB1 SER 61 -15.640 6.164 1.758 434 HG SER 61 HG SER 61 -17.029 6.121 3.322 435 H THR 62 HN THR 62 -11.773 6.327 4.385 436 HA THR 62 HA THR 62 -12.627 8.264 6.376 437 HB THR 62 HB THR 62 -13.100 6.755 7.945 438 HG1 THR 62 HG1 THR 62 -10.995 7.131 8.635 439 1HG2 THR 62 HG21 THR 62 -12.194 4.799 5.930 440 2HG2 THR 62 HG22 THR 62 -13.708 4.894 6.826 441 3HG2 THR 62 HG23 THR 62 -12.258 4.269 7.610 442 H ASP 63 HN ASP 63 -10.929 9.362 7.377 443 HA ASP 63 HA ASP 63 -8.684 9.955 6.024 444 1HB ASP 63 HB2 ASP 63 -9.044 9.876 9.021 445 2HB ASP 63 HB1 ASP 63 -7.676 10.645 8.224 446 H LYS 64 HN LYS 64 -7.066 8.824 5.293 447 HA LYS 64 HA LYS 64 -5.687 7.003 4.943 448 1HB LYS 64 HB2 LYS 64 -4.389 6.821 7.418 449 2HB LYS 64 HB1 LYS 64 -3.883 7.751 6.019 450 1HG LYS 64 HG2 LYS 64 -3.927 9.468 7.451 451 2HG LYS 64 HG1 LYS 64 -5.663 9.459 7.144 452 1HD LYS 64 HD2 LYS 64 -5.280 9.519 9.521 453 2HD LYS 64 HD1 LYS 64 -5.946 7.943 9.083 454 1HE LYS 64 HE2 LYS 64 -4.032 6.842 9.571 455 2HE LYS 64 HE1 LYS 64 -3.007 8.188 9.080 456 1HZ LYS 64 HZ1 LYS 64 -4.217 7.625 11.677 457 2HZ LYS 64 HZ2 LYS 64 -4.091 9.249 11.223 458 3HZ LYS 64 HZ3 LYS 64 -2.703 8.287 11.309 459 H CYS 65 HN CYS 65 -8.091 6.035 5.413 460 HA CYS 65 HA CYS 65 -8.242 4.216 7.590 461 1HB CYS 65 HB2 CYS 65 -10.302 3.475 6.486 462 2HB CYS 65 HB1 CYS 65 -10.213 5.229 6.636 463 H ASN 66 HN ASN 66 -6.264 3.945 4.958 464 HA ASN 66 HA ASN 66 -6.846 1.084 4.652 465 1HB ASN 66 HB2 ASN 66 -6.048 1.146 2.501 466 2HB ASN 66 HB1 ASN 66 -6.539 2.816 2.643 467 1HD2 ASN 66 HD21 ASN 66 -5.077 4.287 2.025 468 2HD2 ASN 66 HD22 ASN 66 -3.382 3.985 1.896 469 HA PRO 67 HA PRO 67 -3.005 0.906 7.053 470 1HB PRO 67 HB2 PRO 67 -3.879 -0.292 9.187 471 2HB PRO 67 HB1 PRO 67 -4.556 1.303 8.798 472 1HG PRO 67 HG2 PRO 67 -5.735 -1.412 8.321 473 2HG PRO 67 HG1 PRO 67 -6.519 0.043 8.967 474 1HD PRO 67 HD2 PRO 67 -6.519 -0.792 6.272 475 2HD PRO 67 HD1 PRO 67 -6.989 0.807 6.875 476 H HIS 68 HN HIS 68 -1.583 -0.846 7.542 477 HA HIS 68 HA HIS 68 -1.934 -3.109 5.811 478 1HB HIS 68 HB2 HIS 68 0.263 -1.890 7.262 479 2HB HIS 68 HB1 HIS 68 0.302 -3.649 7.371 480 HD1 HIS 68 HD1 HIS 68 0.605 -4.971 5.146 481 HD2 HIS 68 HD2 HIS 68 0.796 -0.840 4.742 482 HE1 HIS 68 HE1 HIS 68 1.465 -4.558 2.826 483 HE2 HIS 68 HE2 HIS 68 1.449 -2.055 2.561 484 HA PRO 69 HA PRO 69 -4.012 -5.836 8.604 485 1HB PRO 69 HB2 PRO 69 -3.192 -8.189 7.383 486 2HB PRO 69 HB1 PRO 69 -4.594 -7.225 6.915 487 1HG PRO 69 HG2 PRO 69 -1.866 -7.304 5.722 488 2HG PRO 69 HG1 PRO 69 -3.436 -7.120 4.927 489 1HD PRO 69 HD2 PRO 69 -1.774 -5.043 5.308 490 2HD PRO 69 HD1 PRO 69 -3.538 -4.863 5.376 491 H LYS 70 HN LYS 70 -0.795 -7.086 7.639 492 HA LYS 70 HA LYS 70 -0.417 -8.476 10.073 493 1HB LYS 70 HB2 LYS 70 1.712 -7.575 8.166 494 2HB LYS 70 HB1 LYS 70 1.833 -8.858 9.358 495 1HG LYS 70 HG2 LYS 70 1.457 -10.040 7.433 496 2HG LYS 70 HG1 LYS 70 -0.158 -9.904 8.113 497 1HD LYS 70 HD2 LYS 70 0.276 -9.384 5.568 498 2HD LYS 70 HD1 LYS 70 -0.884 -8.463 6.504 499 1HE LYS 70 HE2 LYS 70 0.611 -7.065 5.064 500 2HE LYS 70 HE1 LYS 70 0.656 -6.643 6.770 501 1HZ LYS 70 HZ1 LYS 70 2.742 -7.796 5.094 502 2HZ LYS 70 HZ2 LYS 70 2.669 -8.351 6.688 503 3HZ LYS 70 HZ3 LYS 70 2.862 -6.701 6.377 504 H GLN 71 HN GLN 71 0.774 -5.442 8.773 505 HA GLN 71 HA GLN 71 2.170 -4.716 11.188 506 1HB GLN 71 HB2 GLN 71 1.453 -2.999 8.800 507 2HB GLN 71 HB1 GLN 71 2.627 -2.605 10.049 508 1HG GLN 71 HG2 GLN 71 4.158 -4.151 9.292 509 2HG GLN 71 HG1 GLN 71 2.940 -5.092 8.433 510 1HE2 GLN 71 HE21 GLN 71 5.400 -4.211 7.363 511 2HE2 GLN 71 HE22 GLN 71 5.055 -3.122 6.068 512 H ARG 72 HN ARG 72 1.083 -1.842 10.724 513 HA ARG 72 HA ARG 72 -0.795 -0.581 11.216 514 1HB ARG 72 HB2 ARG 72 -1.914 -3.175 11.746 515 2HB ARG 72 HB1 ARG 72 -2.323 -2.076 13.049 516 1HG ARG 72 HG2 ARG 72 -3.135 -0.468 11.333 517 2HG ARG 72 HG1 ARG 72 -2.871 -1.720 10.119 518 1HD ARG 72 HD2 ARG 72 -4.740 -1.849 12.483 519 2HD ARG 72 HD1 ARG 72 -5.191 -1.723 10.784 520 HE ARG 72 HE ARG 72 -3.603 -4.040 11.356 521 1HH1 ARG 72 HH11 ARG 72 -6.843 -2.743 11.372 522 2HH1 ARG 72 HH12 ARG 72 -7.599 -4.296 11.249 523 1HH2 ARG 72 HH21 ARG 72 -4.595 -6.084 11.196 524 2HH2 ARG 72 HH22 ARG 72 -6.323 -6.193 11.150 525 HA PRO 73 HA PRO 73 0.105 -0.405 15.811 526 1HB PRO 73 HB2 PRO 73 0.517 -2.553 17.328 527 2HB PRO 73 HB1 PRO 73 -1.100 -2.163 16.727 528 1HG PRO 73 HG2 PRO 73 0.826 -4.232 15.785 529 2HG PRO 73 HG1 PRO 73 -0.942 -4.296 15.869 530 1HD PRO 73 HD2 PRO 73 0.604 -3.728 13.592 531 2HD PRO 73 HD1 PRO 73 -1.143 -3.487 13.763 532 H GLY 74 HN GLY 74 2.212 -1.097 13.681 533 1HA GLY 74 HA2 GLY 74 4.507 -1.797 15.331 534 2HA GLY 74 HA1 GLY 74 4.508 -1.566 13.589 535 1H GLU 180 HT1 GLU 180 17.752 12.661 3.631 536 2H GLU 180 HT2 GLU 180 18.952 13.821 4.034 537 3H GLU 180 HT3 GLU 180 19.409 12.221 3.614 538 HA GLU 180 HA GLU 180 18.362 14.362 1.914 539 1HB GLU 180 HB2 GLU 180 20.695 12.473 1.576 540 2HB GLU 180 HB1 GLU 180 20.373 13.946 0.671 541 1HG GLU 180 HG2 GLU 180 20.910 13.926 3.626 542 2HG GLU 180 HG1 GLU 180 22.180 14.083 2.414 543 H GLU 181 HN GLU 181 16.710 13.764 0.672 544 HA GLU 181 HA GLU 181 16.870 11.223 -0.757 545 1HB GLU 181 HB2 GLU 181 15.438 11.035 1.381 546 2HB GLU 181 HB1 GLU 181 14.271 12.032 0.523 547 1HG GLU 181 HG2 GLU 181 14.901 10.041 -1.289 548 2HG GLU 181 HG1 GLU 181 14.851 9.208 0.265 549 H ARG 182 HN ARG 182 16.880 11.861 -2.809 550 HA ARG 182 HA ARG 182 15.092 14.056 -3.616 551 1HB ARG 182 HB2 ARG 182 17.294 13.012 -5.359 552 2HB ARG 182 HB1 ARG 182 16.577 14.615 -5.320 553 1HG ARG 182 HG2 ARG 182 18.642 14.993 -4.388 554 2HG ARG 182 HG1 ARG 182 17.641 14.750 -2.955 555 1HD ARG 182 HD2 ARG 182 18.929 13.058 -2.322 556 2HD ARG 182 HD1 ARG 182 18.590 12.213 -3.831 557 HE ARG 182 HE ARG 182 20.955 13.748 -3.176 558 1HH1 ARG 182 HH11 ARG 182 19.059 12.260 -5.705 559 2HH1 ARG 182 HH12 ARG 182 20.382 12.184 -6.819 560 1HH2 ARG 182 HH21 ARG 182 22.690 13.646 -4.644 561 2HH2 ARG 182 HH22 ARG 182 22.441 12.969 -6.218 562 H GLY 183 HN GLY 183 14.186 11.337 -3.223 563 1HA GLY 183 HA2 GLY 183 13.660 10.496 -5.999 564 2HA GLY 183 HA1 GLY 183 13.547 9.450 -4.593 565 H TRP 184 HN TRP 184 11.480 9.369 -6.257 566 HA TRP 184 HA TRP 184 9.458 11.243 -5.328 567 1HB TRP 184 HB2 TRP 184 8.008 9.939 -7.014 568 2HB TRP 184 HB1 TRP 184 9.270 10.995 -7.621 569 HD1 TRP 184 HD1 TRP 184 9.398 9.677 -9.895 570 HE1 TRP 184 HE1 TRP 184 10.463 7.439 -10.561 571 HE3 TRP 184 HE3 TRP 184 10.130 7.652 -5.213 572 HZ2 TRP 184 HZ2 TRP 184 11.467 5.138 -9.310 573 HZ3 TRP 184 HZ3 TRP 184 11.141 5.424 -5.075 574 HH2 TRP 184 HH2 TRP 184 11.800 4.194 -7.071 575 H LYS 185 HN LYS 185 7.920 8.364 -6.140 576 HA LYS 185 HA LYS 185 7.957 7.381 -3.394 577 1HB LYS 185 HB2 LYS 185 5.839 8.913 -4.524 578 2HB LYS 185 HB1 LYS 185 5.257 7.285 -4.239 579 1HG LYS 185 HG2 LYS 185 5.340 7.500 -2.015 580 2HG LYS 185 HG1 LYS 185 6.811 8.465 -2.059 581 1HD LYS 185 HD2 LYS 185 4.628 9.564 -1.285 582 2HD LYS 185 HD1 LYS 185 5.664 10.424 -2.424 583 1HE LYS 185 HE2 LYS 185 4.217 10.021 -4.216 584 2HE LYS 185 HE1 LYS 185 3.407 8.698 -3.379 585 1HZ LYS 185 HZ1 LYS 185 2.205 10.931 -3.570 586 2HZ LYS 185 HZ2 LYS 185 3.250 11.460 -2.351 587 3HZ LYS 185 HZ3 LYS 185 2.205 10.161 -2.064 588 H HIS 186 HN HIS 186 8.577 5.347 -3.593 589 HA HIS 186 HA HIS 186 6.984 3.587 -5.308 590 1HB HIS 186 HB2 HIS 186 9.159 4.264 -6.477 591 2HB HIS 186 HB1 HIS 186 9.984 3.305 -5.257 592 HD1 HIS 186 HD1 HIS 186 8.187 0.839 -5.147 593 HD2 HIS 186 HD2 HIS 186 9.328 2.701 -8.682 594 HE1 HIS 186 HE1 HIS 186 7.969 -0.919 -6.931 595 HE2 HIS 186 HE2 HIS 186 8.727 0.211 -9.051 596 H TRP 187 HN TRP 187 6.258 1.917 -4.116 597 HA TRP 187 HA TRP 187 7.954 0.860 -1.955 598 1HB TRP 187 HB2 TRP 187 5.495 2.322 -1.608 599 2HB TRP 187 HB1 TRP 187 5.339 0.705 -0.962 600 HD1 TRP 187 HD1 TRP 187 6.720 4.063 -0.170 601 HE1 TRP 187 HE1 TRP 187 7.972 4.014 2.049 602 HE3 TRP 187 HE3 TRP 187 6.904 -0.988 0.554 603 HZ2 TRP 187 HZ2 TRP 187 8.908 2.116 3.888 604 HZ3 TRP 187 HZ3 TRP 187 8.004 -1.829 2.575 605 HH2 TRP 187 HH2 TRP 187 8.978 -0.307 4.219 606 H VAL 188 HN VAL 188 7.292 -1.167 -1.157 607 HA VAL 188 HA VAL 188 5.373 -2.722 -2.661 608 HB VAL 188 HB VAL 188 8.053 -4.001 -2.285 609 1HG1 VAL 188 HG11 VAL 188 7.333 -5.417 -4.074 610 2HG1 VAL 188 HG12 VAL 188 5.962 -4.363 -4.423 611 3HG1 VAL 188 HG13 VAL 188 6.009 -5.281 -2.916 612 1HG2 VAL 188 HG21 VAL 188 7.345 -2.394 -4.736 613 2HG2 VAL 188 HG22 VAL 188 8.828 -3.306 -4.454 614 3HG2 VAL 188 HG23 VAL 188 8.479 -1.870 -3.491 615 H TYR 189 HN TYR 189 4.178 -2.835 -0.770 616 HA TYR 189 HA TYR 189 5.518 -3.937 1.601 617 1HB TYR 189 HB2 TYR 189 3.062 -2.325 1.117 618 2HB TYR 189 HB1 TYR 189 3.047 -3.447 2.470 619 HD1 TYR 189 HD1 TYR 189 3.763 -0.206 1.487 620 HD2 TYR 189 HD2 TYR 189 5.212 -3.264 4.040 621 HE1 TYR 189 HE1 TYR 189 4.869 1.490 2.845 622 HE2 TYR 189 HE2 TYR 189 6.355 -1.576 5.417 623 HH TYR 189 HH TYR 189 6.326 0.735 5.902 624 H TYR 190 HN TYR 190 5.395 -6.062 1.969 625 HA TYR 190 HA TYR 190 3.422 -7.591 0.458 626 1HB TYR 190 HB2 TYR 190 5.795 -8.599 2.040 627 2HB TYR 190 HB1 TYR 190 4.780 -9.558 0.979 628 HD1 TYR 190 HD1 TYR 190 6.552 -10.360 -0.397 629 HD2 TYR 190 HD2 TYR 190 6.009 -6.170 0.084 630 HE1 TYR 190 HE1 TYR 190 8.136 -9.950 -2.227 631 HE2 TYR 190 HE2 TYR 190 7.575 -5.756 -1.746 632 HH TYR 190 HH TYR 190 8.526 -8.043 -3.922 633 H THR 191 HN THR 191 1.962 -9.043 1.396 634 HA THR 191 HA THR 191 1.393 -8.537 4.191 635 HB THR 191 HB THR 191 -0.694 -9.336 3.904 636 HG1 THR 191 HG1 THR 191 -1.165 -11.191 2.961 637 1HG2 THR 191 HG21 THR 191 -1.405 -9.288 1.396 638 2HG2 THR 191 HG22 THR 191 0.186 -8.564 1.183 639 3HG2 THR 191 HG23 THR 191 -0.990 -7.807 2.254 640 H CYS 192 HN CYS 192 1.929 -9.801 5.814 641 HA CYS 192 HA CYS 192 1.968 -12.433 6.223 642 1HB CYS 192 HB2 CYS 192 3.863 -13.551 5.358 643 2HB CYS 192 HB1 CYS 192 3.329 -12.603 3.981 644 H CYS 193 HN CYS 193 4.241 -9.821 6.043 645 HA CYS 193 HA CYS 193 4.960 -10.242 8.841 646 1HB CYS 193 HB2 CYS 193 7.118 -9.896 6.796 647 2HB CYS 193 HB1 CYS 193 7.184 -10.707 8.359 648 HA PRO 194 HA PRO 194 5.086 -5.790 8.544 649 1HB PRO 194 HB2 PRO 194 4.863 -5.278 11.116 650 2HB PRO 194 HB1 PRO 194 3.555 -6.130 10.282 651 1HG PRO 194 HG2 PRO 194 5.700 -7.233 12.050 652 2HG PRO 194 HG1 PRO 194 3.975 -7.638 11.998 653 1HD PRO 194 HD2 PRO 194 6.026 -9.049 10.719 654 2HD PRO 194 HD1 PRO 194 4.293 -9.179 10.355 655 H ASP 195 HN ASP 195 7.618 -7.698 9.043 656 HA ASP 195 HA ASP 195 9.339 -5.503 9.986 657 1HB ASP 195 HB2 ASP 195 9.469 -8.439 10.635 658 2HB ASP 195 HB1 ASP 195 10.868 -7.386 10.820 659 H THR 196 HN THR 196 8.569 -7.371 7.356 660 HA THR 196 HA THR 196 11.289 -7.097 6.263 661 HB THR 196 HB THR 196 10.523 -9.466 6.564 662 HG1 THR 196 HG1 THR 196 12.001 -9.458 5.053 663 1HG2 THR 196 HG21 THR 196 8.138 -8.652 5.545 664 2HG2 THR 196 HG22 THR 196 8.688 -10.325 5.651 665 3HG2 THR 196 HG23 THR 196 8.896 -9.420 4.151 666 HA PRO 197 HA PRO 197 8.076 -4.691 3.752 667 1HB PRO 197 HB2 PRO 197 8.935 -2.186 4.290 668 2HB PRO 197 HB1 PRO 197 7.740 -3.014 5.294 669 1HG PRO 197 HG2 PRO 197 10.682 -2.674 5.740 670 2HG PRO 197 HG1 PRO 197 9.348 -2.512 6.899 671 1HD PRO 197 HD2 PRO 197 10.888 -4.740 6.735 672 2HD PRO 197 HD1 PRO 197 9.179 -4.786 7.213 673 H TYR 198 HN TYR 198 8.490 -3.831 1.725 674 HA TYR 198 HA TYR 198 11.329 -3.750 0.941 675 1HB TYR 198 HB2 TYR 198 8.978 -4.264 -0.882 676 2HB TYR 198 HB1 TYR 198 10.675 -4.467 -1.263 677 HD1 TYR 198 HD1 TYR 198 8.554 -5.701 1.580 678 HD2 TYR 198 HD2 TYR 198 11.096 -6.653 -1.691 679 HE1 TYR 198 HE1 TYR 198 8.406 -8.071 2.165 680 HE2 TYR 198 HE2 TYR 198 10.944 -9.015 -1.122 681 HH TYR 198 HH TYR 198 9.759 -10.144 1.819 682 H LEU 199 HN LEU 199 12.003 -1.721 0.765 683 HA LEU 199 HA LEU 199 10.111 0.394 0.047 684 1HB LEU 199 HB2 LEU 199 11.725 0.352 2.080 685 2HB LEU 199 HB1 LEU 199 12.944 0.823 0.915 686 HG LEU 199 HG LEU 199 10.416 2.364 1.454 687 1HD1 LEU 199 HD11 LEU 199 13.169 2.513 2.628 688 2HD1 LEU 199 HD12 LEU 199 11.605 2.570 3.442 689 3HD1 LEU 199 HD13 LEU 199 12.166 3.958 2.511 690 1HD2 LEU 199 HD21 LEU 199 12.555 2.585 -0.516 691 2HD2 LEU 199 HD22 LEU 199 12.315 4.065 0.411 692 3HD2 LEU 199 HD23 LEU 199 10.968 3.353 -0.476 693 H ASP 200 HN ASP 200 10.469 1.880 -1.607 694 HA ASP 200 HA ASP 200 12.730 1.381 -3.393 695 1HB ASP 200 HB2 ASP 200 9.826 1.284 -4.148 696 2HB ASP 200 HB1 ASP 200 11.052 1.718 -5.334 697 H ILE 201 HN ILE 201 13.794 3.188 -3.548 698 HA ILE 201 HA ILE 201 12.337 5.729 -3.838 699 HB ILE 201 HB ILE 201 14.316 6.801 -2.669 700 1HG1 ILE 201 HG12 ILE 201 14.750 4.114 -1.404 701 2HG1 ILE 201 HG11 ILE 201 15.619 4.546 -2.873 702 1HG2 ILE 201 HG21 ILE 201 13.411 5.736 -0.364 703 2HG2 ILE 201 HG22 ILE 201 12.128 5.243 -1.469 704 3HG2 ILE 201 HG23 ILE 201 12.536 6.951 -1.297 705 1HD1 ILE 201 HD11 ILE 201 15.673 6.469 -0.620 706 2HD1 ILE 201 HD12 ILE 201 16.909 6.089 -1.820 707 3HD1 ILE 201 HD13 ILE 201 16.617 4.985 -0.475 708 H THR 202 HN THR 202 13.540 7.390 -5.016 709 HA THR 202 HA THR 202 14.816 6.322 -7.322 710 HB THR 202 HB THR 202 14.997 9.223 -6.614 711 HG1 THR 202 HG1 THR 202 12.646 7.778 -7.194 712 1HG2 THR 202 HG21 THR 202 15.705 8.055 -8.856 713 2HG2 THR 202 HG22 THR 202 14.918 9.633 -8.850 714 3HG2 THR 202 HG23 THR 202 13.980 8.180 -9.198 715 H GLU 203 HN GLU 203 16.735 5.343 -6.981 716 HA GLU 203 HA GLU 203 18.878 6.984 -5.799 717 1HB GLU 203 HB2 GLU 203 18.809 3.972 -5.705 718 2HB GLU 203 HB1 GLU 203 19.862 5.060 -4.812 719 1HG GLU 203 HG2 GLU 203 18.141 5.719 -3.366 720 2HG GLU 203 HG1 GLU 203 16.891 5.060 -4.420 721 H GLU 204 HN GLU 204 20.153 7.641 -7.399 722 HA GLU 204 HA GLU 204 21.092 5.652 -9.339 723 1HB GLU 204 HB2 GLU 204 20.894 7.258 -11.170 724 2HB GLU 204 HB1 GLU 204 19.323 6.941 -10.445 725 1HG GLU 204 HG2 GLU 204 20.823 9.244 -9.372 726 2HG GLU 204 HG1 GLU 204 20.219 9.393 -11.022 Start of MODEL 17 1 1H ILE 1 HT1 ILE 1 -10.990 13.039 1.615 2 2H ILE 1 HT2 ILE 1 -9.879 14.214 2.189 3 3H ILE 1 HT3 ILE 1 -11.426 14.066 2.915 4 HA ILE 1 HA ILE 1 -10.150 12.993 4.402 5 HB ILE 1 HB ILE 1 -10.530 10.626 4.186 6 1HG1 ILE 1 HG12 ILE 1 -11.758 10.471 1.605 7 2HG1 ILE 1 HG11 ILE 1 -10.135 11.124 1.419 8 1HG2 ILE 1 HG21 ILE 1 -13.005 10.873 3.158 9 2HG2 ILE 1 HG22 ILE 1 -12.614 12.569 3.438 10 3HG2 ILE 1 HG23 ILE 1 -12.557 11.420 4.774 11 1HD1 ILE 1 HD11 ILE 1 -10.059 8.909 3.218 12 2HD1 ILE 1 HD12 ILE 1 -9.268 9.108 1.654 13 3HD1 ILE 1 HD13 ILE 1 -10.900 8.447 1.738 14 H VAL 2 HN VAL 2 -8.551 11.228 4.805 15 HA VAL 2 HA VAL 2 -6.138 11.817 3.265 16 HB VAL 2 HB VAL 2 -6.532 10.491 5.958 17 1HG1 VAL 2 HG11 VAL 2 -4.042 11.075 6.166 18 2HG1 VAL 2 HG12 VAL 2 -4.059 11.251 4.413 19 3HG1 VAL 2 HG13 VAL 2 -4.466 9.700 5.148 20 1HG2 VAL 2 HG21 VAL 2 -6.324 12.504 6.963 21 2HG2 VAL 2 HG22 VAL 2 -6.966 13.088 5.428 22 3HG2 VAL 2 HG23 VAL 2 -5.229 13.135 5.733 23 H CYS 3 HN CYS 3 -4.555 9.899 3.053 24 HA CYS 3 HA CYS 3 -5.868 7.318 2.910 25 1HB CYS 3 HB2 CYS 3 -6.135 8.757 0.709 26 2HB CYS 3 HB1 CYS 3 -4.501 8.177 0.401 27 H HIS 4 HN HIS 4 -4.540 5.921 3.787 28 HA HIS 4 HA HIS 4 -1.726 6.347 4.110 29 1HB HIS 4 HB2 HIS 4 -3.680 4.200 4.785 30 2HB HIS 4 HB1 HIS 4 -1.982 3.751 4.704 31 HD1 HIS 4 HD1 HIS 4 -1.002 6.542 5.967 32 HD2 HIS 4 HD2 HIS 4 -3.808 3.903 7.522 33 HE1 HIS 4 HE1 HIS 4 -1.008 6.958 8.448 34 HE2 HIS 4 HE2 HIS 4 -2.645 5.283 9.380 35 H THR 5 HN THR 5 -0.716 6.444 2.108 36 HA THR 5 HA THR 5 -1.040 4.132 0.337 37 HB THR 5 HB THR 5 -1.297 6.069 -0.949 38 HG1 THR 5 HG1 THR 5 1.489 5.683 -1.196 39 1HG2 THR 5 HG21 THR 5 0.538 7.294 0.946 40 2HG2 THR 5 HG22 THR 5 -0.741 8.014 -0.032 41 3HG2 THR 5 HG23 THR 5 0.855 7.740 -0.730 42 H THR 6 HN THR 6 1.066 3.558 -0.838 43 HA THR 6 HA THR 6 3.258 3.333 1.073 44 HB THR 6 HB THR 6 3.491 1.083 0.472 45 HG1 THR 6 HG1 THR 6 3.179 0.615 -1.536 46 1HG2 THR 6 HG21 THR 6 0.553 1.634 0.592 47 2HG2 THR 6 HG22 THR 6 1.627 1.334 1.958 48 3HG2 THR 6 HG23 THR 6 1.293 0.047 0.796 49 H ALA 7 HN ALA 7 4.745 4.774 0.137 50 HA ALA 7 HA ALA 7 5.796 3.973 -2.409 51 1HB ALA 7 HB1 ALA 7 4.513 6.678 -2.307 52 2HB ALA 7 HB2 ALA 7 3.764 5.239 -2.985 53 3HB ALA 7 HB3 ALA 7 5.238 5.875 -3.694 54 H THR 8 HN THR 8 6.051 6.335 0.268 55 HA THR 8 HA THR 8 8.635 7.177 -0.784 56 HB THR 8 HB THR 8 7.511 8.987 0.093 57 HG1 THR 8 HG1 THR 8 9.160 9.621 1.171 58 1HG2 THR 8 HG21 THR 8 5.787 8.656 1.447 59 2HG2 THR 8 HG22 THR 8 6.956 8.623 2.768 60 3HG2 THR 8 HG23 THR 8 6.431 7.115 2.018 61 H SER 9 HN SER 9 9.511 7.513 2.248 62 HA SER 9 HA SER 9 11.224 5.262 2.155 63 1HB SER 9 HB2 SER 9 10.861 6.718 4.739 64 2HB SER 9 HB1 SER 9 12.336 6.164 3.957 65 HG SER 9 HG SER 9 10.962 8.541 3.656 66 HA PRO 10 HA PRO 10 8.290 3.247 5.213 67 1HB PRO 10 HB2 PRO 10 7.043 4.680 7.073 68 2HB PRO 10 HB1 PRO 10 8.809 4.576 7.102 69 1HG PRO 10 HG2 PRO 10 7.089 6.862 6.409 70 2HG PRO 10 HG1 PRO 10 8.798 6.848 6.879 71 1HD PRO 10 HD2 PRO 10 7.610 6.866 4.195 72 2HD PRO 10 HD1 PRO 10 9.287 7.194 4.674 73 H ILE 11 HN ILE 11 5.724 3.328 6.065 74 HA ILE 11 HA ILE 11 4.140 3.388 3.753 75 HB ILE 11 HB ILE 11 3.059 3.893 6.530 76 1HG1 ILE 11 HG12 ILE 11 3.090 1.133 5.429 77 2HG1 ILE 11 HG11 ILE 11 4.623 1.766 6.019 78 1HG2 ILE 11 HG21 ILE 11 1.902 3.189 3.912 79 2HG2 ILE 11 HG22 ILE 11 1.218 4.119 5.244 80 3HG2 ILE 11 HG23 ILE 11 1.230 2.356 5.314 81 1HD1 ILE 11 HD11 ILE 11 2.592 0.592 7.509 82 2HD1 ILE 11 HD12 ILE 11 2.525 2.311 7.900 83 3HD1 ILE 11 HD13 ILE 11 4.030 1.415 8.117 84 H SER 12 HN SER 12 3.119 5.046 2.673 85 HA SER 12 HA SER 12 3.584 7.741 3.704 86 1HB SER 12 HB2 SER 12 3.050 8.459 1.379 87 2HB SER 12 HB1 SER 12 4.380 7.306 1.435 88 HG SER 12 HG SER 12 3.081 6.537 -0.125 89 H ALA 13 HN ALA 13 1.887 9.364 3.415 90 HA ALA 13 HA ALA 13 -0.845 8.369 3.290 91 1HB ALA 13 HB1 ALA 13 0.240 8.460 5.739 92 2HB ALA 13 HB2 ALA 13 -1.465 8.788 5.427 93 3HB ALA 13 HB3 ALA 13 -0.329 10.124 5.610 94 H VAL 14 HN VAL 14 -1.614 9.634 1.723 95 HA VAL 14 HA VAL 14 -1.165 12.537 1.967 96 HB VAL 14 HB VAL 14 -1.289 12.705 -0.491 97 1HG1 VAL 14 HG11 VAL 14 0.932 11.231 -0.809 98 2HG1 VAL 14 HG12 VAL 14 0.854 11.274 0.951 99 3HG1 VAL 14 HG13 VAL 14 0.909 12.779 0.035 100 1HG2 VAL 14 HG21 VAL 14 -0.763 10.379 -1.627 101 2HG2 VAL 14 HG22 VAL 14 -2.420 10.914 -1.350 102 3HG2 VAL 14 HG23 VAL 14 -1.668 9.766 -0.243 103 H THR 15 HN THR 15 -2.855 13.901 1.390 104 HA THR 15 HA THR 15 -5.496 12.680 1.611 105 HB THR 15 HB THR 15 -4.909 15.628 1.568 106 HG1 THR 15 HG1 THR 15 -3.589 14.988 3.163 107 1HG2 THR 15 HG21 THR 15 -6.865 15.917 2.782 108 2HG2 THR 15 HG22 THR 15 -6.939 14.218 3.247 109 3HG2 THR 15 HG23 THR 15 -7.284 14.693 1.584 110 H CYS 16 HN CYS 16 -6.970 12.652 -0.005 111 HA CYS 16 HA CYS 16 -6.081 13.557 -2.616 112 1HB CYS 16 HB2 CYS 16 -8.166 11.693 -1.630 113 2HB CYS 16 HB1 CYS 16 -8.490 12.497 -3.162 114 HA PRO 17 HA PRO 17 -8.177 17.470 -2.050 115 1HB PRO 17 HB2 PRO 17 -7.704 17.712 -4.959 116 2HB PRO 17 HB1 PRO 17 -7.230 18.791 -3.647 117 1HG PRO 17 HG2 PRO 17 -5.435 17.249 -4.901 118 2HG PRO 17 HG1 PRO 17 -5.319 17.591 -3.165 119 1HD PRO 17 HD2 PRO 17 -6.262 15.119 -4.554 120 2HD PRO 17 HD1 PRO 17 -5.315 15.287 -3.061 121 HA PRO 18 HA PRO 18 -11.347 16.605 -5.788 122 1HB PRO 18 HB2 PRO 18 -10.906 13.651 -5.733 123 2HB PRO 18 HB1 PRO 18 -11.359 14.695 -7.086 124 1HG PRO 18 HG2 PRO 18 -8.870 13.785 -6.853 125 2HG PRO 18 HG1 PRO 18 -9.187 15.437 -7.413 126 1HD PRO 18 HD2 PRO 18 -8.186 14.490 -4.773 127 2HD PRO 18 HD1 PRO 18 -7.818 15.987 -5.652 128 H GLY 19 HN GLY 19 -13.517 15.624 -5.530 129 1HA GLY 19 HA2 GLY 19 -14.249 15.477 -2.778 130 2HA GLY 19 HA1 GLY 19 -15.318 15.199 -4.149 131 H GLU 20 HN GLU 20 -13.326 13.148 -5.139 132 HA GLU 20 HA GLU 20 -14.344 10.933 -3.548 133 1HB GLU 20 HB2 GLU 20 -13.615 9.562 -5.456 134 2HB GLU 20 HB1 GLU 20 -14.752 10.808 -5.931 135 1HG GLU 20 HG2 GLU 20 -12.394 12.077 -6.337 136 2HG GLU 20 HG1 GLU 20 -11.949 10.412 -6.696 137 H ASN 21 HN ASN 21 -12.960 9.375 -2.683 138 HA ASN 21 HA ASN 21 -10.114 9.496 -2.955 139 1HB ASN 21 HB2 ASN 21 -10.932 10.126 -0.166 140 2HB ASN 21 HB1 ASN 21 -9.434 10.507 -0.994 141 1HD2 ASN 21 HD21 ASN 21 -12.814 11.359 -0.681 142 2HD2 ASN 21 HD22 ASN 21 -12.639 13.017 -1.147 143 H LEU 22 HN LEU 22 -12.065 7.417 -3.125 144 HA LEU 22 HA LEU 22 -12.161 5.987 -0.690 145 1HB LEU 22 HB2 LEU 22 -13.232 5.701 -3.287 146 2HB LEU 22 HB1 LEU 22 -12.381 4.213 -2.918 147 HG LEU 22 HG LEU 22 -13.678 4.189 -0.731 148 1HD1 LEU 22 HD11 LEU 22 -14.453 6.437 -0.641 149 2HD1 LEU 22 HD12 LEU 22 -15.864 5.400 -0.856 150 3HD1 LEU 22 HD13 LEU 22 -15.214 6.302 -2.226 151 1HD2 LEU 22 HD21 LEU 22 -14.496 2.543 -2.034 152 2HD2 LEU 22 HD22 LEU 22 -14.618 3.584 -3.452 153 3HD2 LEU 22 HD23 LEU 22 -15.872 3.630 -2.213 154 H CYS 23 HN CYS 23 -10.509 5.139 0.293 155 HA CYS 23 HA CYS 23 -8.015 4.569 -0.995 156 1HB CYS 23 HB2 CYS 23 -9.000 4.172 1.798 157 2HB CYS 23 HB1 CYS 23 -7.365 3.815 1.291 158 H TYR 24 HN TYR 24 -7.599 2.730 -2.046 159 HA TYR 24 HA TYR 24 -9.169 0.359 -1.356 160 1HB TYR 24 HB2 TYR 24 -8.495 -0.544 -3.507 161 2HB TYR 24 HB1 TYR 24 -9.152 1.077 -3.728 162 HD1 TYR 24 HD1 TYR 24 -7.616 2.981 -4.118 163 HD2 TYR 24 HD2 TYR 24 -6.231 -1.051 -4.088 164 HE1 TYR 24 HE1 TYR 24 -5.561 3.676 -5.270 165 HE2 TYR 24 HE2 TYR 24 -4.185 -0.361 -5.229 166 HH TYR 24 HH TYR 24 -3.800 2.321 -6.879 167 H ARG 25 HN ARG 25 -8.210 -1.640 -1.086 168 HA ARG 25 HA ARG 25 -5.408 -1.574 -0.221 169 1HB ARG 25 HB2 ARG 25 -7.783 -3.081 0.860 170 2HB ARG 25 HB1 ARG 25 -6.137 -3.576 1.219 171 1HG ARG 25 HG2 ARG 25 -7.447 -0.965 1.937 172 2HG ARG 25 HG1 ARG 25 -6.972 -2.263 3.034 173 1HD ARG 25 HD2 ARG 25 -4.901 -1.007 1.294 174 2HD ARG 25 HD1 ARG 25 -5.465 -0.136 2.712 175 HE ARG 25 HE ARG 25 -4.337 -1.615 4.037 176 1HH1 ARG 25 HH11 ARG 25 -4.363 -2.845 0.771 177 2HH1 ARG 25 HH12 ARG 25 -3.376 -4.210 1.149 178 1HH2 ARG 25 HH21 ARG 25 -3.011 -3.387 4.512 179 2HH2 ARG 25 HH22 ARG 25 -2.601 -4.510 3.263 180 H LYS 26 HN LYS 26 -4.683 -2.124 -2.307 181 HA LYS 26 HA LYS 26 -5.648 -4.521 -3.573 182 1HB LYS 26 HB2 LYS 26 -4.937 -2.746 -4.998 183 2HB LYS 26 HB1 LYS 26 -3.397 -2.607 -4.165 184 1HG LYS 26 HG2 LYS 26 -2.595 -3.815 -5.846 185 2HG LYS 26 HG1 LYS 26 -3.341 -5.196 -5.047 186 1HD LYS 26 HD2 LYS 26 -4.562 -3.492 -7.210 187 2HD LYS 26 HD1 LYS 26 -3.949 -5.136 -7.393 188 1HE LYS 26 HE2 LYS 26 -5.941 -5.925 -6.825 189 2HE LYS 26 HE1 LYS 26 -5.780 -5.160 -5.245 190 1HZ LYS 26 HZ1 LYS 26 -7.787 -4.407 -6.290 191 2HZ LYS 26 HZ2 LYS 26 -6.953 -3.940 -7.686 192 3HZ LYS 26 HZ3 LYS 26 -6.697 -3.114 -6.232 193 H MET 27 HN MET 27 -5.004 -6.522 -3.161 194 HA MET 27 HA MET 27 -2.285 -6.960 -2.218 195 1HB MET 27 HB2 MET 27 -4.767 -7.849 -0.765 196 2HB MET 27 HB1 MET 27 -3.188 -8.563 -0.474 197 1HG MET 27 HG2 MET 27 -2.338 -6.338 0.160 198 2HG MET 27 HG1 MET 27 -3.962 -5.687 -0.053 199 1HE MET 27 HE1 MET 27 -5.949 -7.798 2.586 200 2HE MET 27 HE2 MET 27 -5.212 -8.884 1.408 201 3HE MET 27 HE3 MET 27 -5.924 -7.359 0.879 202 H TRP 28 HN TRP 28 -1.341 -8.727 -2.984 203 HA TRP 28 HA TRP 28 -2.939 -10.964 -3.932 204 1HB TRP 28 HB2 TRP 28 -2.036 -11.046 -6.150 205 2HB TRP 28 HB1 TRP 28 -2.751 -9.459 -5.904 206 HD1 TRP 28 HD1 TRP 28 0.626 -11.180 -6.330 207 HE1 TRP 28 HE1 TRP 28 2.373 -9.394 -6.982 208 HE3 TRP 28 HE3 TRP 28 -2.239 -7.034 -5.710 209 HZ2 TRP 28 HZ2 TRP 28 2.495 -6.565 -7.197 210 HZ3 TRP 28 HZ3 TRP 28 -1.253 -4.831 -6.144 211 HH2 TRP 28 HH2 TRP 28 1.063 -4.587 -6.855 212 H CYS 29 HN CYS 29 -0.754 -12.271 -5.316 213 HA CYS 29 HA CYS 29 0.888 -12.808 -2.943 214 1HB CYS 29 HB2 CYS 29 0.755 -15.027 -3.314 215 2HB CYS 29 HB1 CYS 29 -0.667 -14.583 -4.241 216 H ASP 30 HN ASP 30 2.915 -12.325 -2.905 217 HA ASP 30 HA ASP 30 4.505 -12.484 -5.342 218 1HB ASP 30 HB2 ASP 30 3.951 -10.123 -5.236 219 2HB ASP 30 HB1 ASP 30 4.479 -10.048 -3.556 220 H ALA 31 HN ALA 31 5.349 -14.316 -4.468 221 HA ALA 31 HA ALA 31 7.243 -15.266 -3.590 222 1HB ALA 31 HB1 ALA 31 7.645 -13.513 -1.330 223 2HB ALA 31 HB2 ALA 31 7.741 -12.692 -2.885 224 3HB ALA 31 HB3 ALA 31 8.775 -14.074 -2.554 225 H PHE 32 HN PHE 32 4.532 -14.177 -1.555 226 HA PHE 32 HA PHE 32 5.142 -16.036 0.536 227 1HB PHE 32 HB2 PHE 32 3.317 -14.077 0.421 228 2HB PHE 32 HB1 PHE 32 2.289 -15.420 -0.035 229 HD1 PHE 32 HD1 PHE 32 0.914 -15.633 1.856 230 HD2 PHE 32 HD2 PHE 32 5.144 -15.486 2.316 231 HE1 PHE 32 HE1 PHE 32 0.671 -16.256 4.224 232 HE2 PHE 32 HE2 PHE 32 4.908 -16.111 4.688 233 HZ PHE 32 HZ PHE 32 2.670 -16.498 5.642 234 H CYS 33 HN CYS 33 3.484 -16.062 -2.488 235 HA CYS 33 HA CYS 33 2.586 -18.774 -2.247 236 1HB CYS 33 HB2 CYS 33 2.116 -18.456 -4.748 237 2HB CYS 33 HB1 CYS 33 1.238 -17.389 -3.656 238 H SER 34 HN SER 34 5.277 -16.949 -3.428 239 HA SER 34 HA SER 34 6.622 -19.287 -4.520 240 1HB SER 34 HB2 SER 34 6.710 -16.497 -5.062 241 2HB SER 34 HB1 SER 34 8.310 -16.976 -4.496 242 HG SER 34 HG SER 34 7.156 -17.440 -6.869 243 H SER 35 HN SER 35 7.970 -16.628 -2.564 244 HA SER 35 HA SER 35 8.897 -18.557 -0.573 245 1HB SER 35 HB2 SER 35 11.189 -17.708 -0.667 246 2HB SER 35 HB1 SER 35 10.687 -18.385 -2.216 247 HG SER 35 HG SER 35 10.686 -16.433 -3.095 248 H ARG 36 HN ARG 36 9.022 -15.004 -1.279 249 HA ARG 36 HA ARG 36 9.434 -14.381 1.464 250 1HB ARG 36 HB2 ARG 36 8.463 -12.216 -0.332 251 2HB ARG 36 HB1 ARG 36 9.673 -12.177 0.926 252 1HG ARG 36 HG2 ARG 36 11.136 -13.521 -0.645 253 2HG ARG 36 HG1 ARG 36 9.945 -13.141 -1.889 254 1HD ARG 36 HD2 ARG 36 10.234 -10.703 -1.042 255 2HD ARG 36 HD1 ARG 36 11.772 -11.307 -0.417 256 HE ARG 36 HE ARG 36 11.080 -10.829 -3.168 257 1HH1 ARG 36 HH11 ARG 36 13.176 -12.603 -1.015 258 2HH1 ARG 36 HH12 ARG 36 14.414 -12.830 -2.205 259 1HH2 ARG 36 HH21 ARG 36 12.705 -11.124 -4.734 260 2HH2 ARG 36 HH22 ARG 36 14.147 -11.989 -4.316 261 H GLY 37 HN GLY 37 6.801 -12.599 -0.213 262 1HA GLY 37 HA2 GLY 37 4.862 -13.757 1.604 263 2HA GLY 37 HA1 GLY 37 5.309 -12.104 1.955 264 H LYS 38 HN LYS 38 3.048 -11.642 1.653 265 HA LYS 38 HA LYS 38 2.014 -11.898 -1.048 266 1HB LYS 38 HB2 LYS 38 0.899 -11.512 1.590 267 2HB LYS 38 HB1 LYS 38 0.232 -10.345 0.458 268 1HG LYS 38 HG2 LYS 38 -1.237 -11.993 0.045 269 2HG LYS 38 HG1 LYS 38 0.044 -12.591 -1.013 270 1HD LYS 38 HD2 LYS 38 0.798 -14.130 0.629 271 2HD LYS 38 HD1 LYS 38 -0.210 -13.395 1.877 272 1HE LYS 38 HE2 LYS 38 -2.198 -14.053 0.429 273 2HE LYS 38 HE1 LYS 38 -1.066 -15.049 -0.485 274 1HZ LYS 38 HZ1 LYS 38 -1.142 -15.339 2.431 275 2HZ LYS 38 HZ2 LYS 38 -0.797 -16.492 1.242 276 3HZ LYS 38 HZ3 LYS 38 -2.397 -16.023 1.525 277 H VAL 39 HN VAL 39 0.660 -9.774 -1.672 278 HA VAL 39 HA VAL 39 2.633 -7.594 -1.687 279 HB VAL 39 HB VAL 39 0.574 -8.382 -3.738 280 1HG1 VAL 39 HG11 VAL 39 1.723 -5.764 -3.162 281 2HG1 VAL 39 HG12 VAL 39 0.408 -6.197 -4.245 282 3HG1 VAL 39 HG13 VAL 39 2.078 -6.302 -4.795 283 1HG2 VAL 39 HG21 VAL 39 3.525 -8.473 -3.515 284 2HG2 VAL 39 HG22 VAL 39 2.817 -8.171 -5.100 285 3HG2 VAL 39 HG23 VAL 39 2.399 -9.637 -4.214 286 H VAL 40 HN VAL 40 2.046 -5.544 -1.276 287 HA VAL 40 HA VAL 40 -0.750 -4.936 -0.688 288 HB VAL 40 HB VAL 40 1.434 -4.081 1.207 289 1HG1 VAL 40 HG11 VAL 40 -0.273 -2.681 1.682 290 2HG1 VAL 40 HG12 VAL 40 -0.820 -4.059 2.635 291 3HG1 VAL 40 HG13 VAL 40 -1.497 -3.771 1.033 292 1HG2 VAL 40 HG21 VAL 40 -0.285 -6.542 1.285 293 2HG2 VAL 40 HG22 VAL 40 0.403 -5.835 2.747 294 3HG2 VAL 40 HG23 VAL 40 1.465 -6.417 1.466 295 H GLU 41 HN GLU 41 -1.264 -3.256 -1.899 296 HA GLU 41 HA GLU 41 0.607 -1.008 -2.035 297 1HB GLU 41 HB2 GLU 41 -0.892 -0.685 -4.322 298 2HB GLU 41 HB1 GLU 41 0.784 -1.193 -4.240 299 1HG GLU 41 HG2 GLU 41 -0.052 -3.557 -4.167 300 2HG GLU 41 HG1 GLU 41 -1.654 -2.905 -4.530 301 H LEU 42 HN LEU 42 -0.311 0.517 -0.815 302 HA LEU 42 HA LEU 42 -3.212 0.702 -0.631 303 1HB LEU 42 HB2 LEU 42 -1.250 2.503 0.757 304 2HB LEU 42 HB1 LEU 42 -2.883 2.097 1.234 305 HG LEU 42 HG LEU 42 -0.627 0.126 1.262 306 1HD1 LEU 42 HD11 LEU 42 -0.875 2.313 2.937 307 2HD1 LEU 42 HD12 LEU 42 0.097 0.869 3.209 308 3HD1 LEU 42 HD13 LEU 42 -1.542 0.962 3.851 309 1HD2 LEU 42 HD21 LEU 42 -2.944 -0.738 1.100 310 2HD2 LEU 42 HD22 LEU 42 -3.282 0.060 2.636 311 3HD2 LEU 42 HD23 LEU 42 -2.083 -1.229 2.560 312 H GLY 43 HN GLY 43 -4.428 2.249 -1.661 313 1HA GLY 43 HA2 GLY 43 -3.045 4.633 -2.663 314 2HA GLY 43 HA1 GLY 43 -3.788 3.588 -3.856 315 H CYS 44 HN CYS 44 -4.698 5.886 -4.154 316 HA CYS 44 HA CYS 44 -7.103 6.314 -2.515 317 1HB CYS 44 HB2 CYS 44 -5.276 8.131 -3.018 318 2HB CYS 44 HB1 CYS 44 -6.080 8.245 -4.576 319 H ALA 45 HN ALA 45 -9.118 6.832 -3.638 320 HA ALA 45 HA ALA 45 -9.295 6.286 -6.467 321 1HB ALA 45 HB1 ALA 45 -9.271 4.046 -5.161 322 2HB ALA 45 HB2 ALA 45 -10.467 4.299 -6.433 323 3HB ALA 45 HB3 ALA 45 -10.928 4.479 -4.739 324 H ALA 46 HN ALA 46 -11.858 5.884 -6.838 325 HA ALA 46 HA ALA 46 -13.326 7.953 -5.355 326 1HB ALA 46 HB1 ALA 46 -14.070 9.015 -7.297 327 2HB ALA 46 HB2 ALA 46 -13.501 7.718 -8.343 328 3HB ALA 46 HB3 ALA 46 -12.344 8.783 -7.545 329 H THR 47 HN THR 47 -13.331 5.155 -7.464 330 HA THR 47 HA THR 47 -15.758 4.176 -6.238 331 HB THR 47 HB THR 47 -16.734 5.414 -8.068 332 HG1 THR 47 HG1 THR 47 -17.932 3.708 -8.221 333 1HG2 THR 47 HG21 THR 47 -16.030 4.400 -10.440 334 2HG2 THR 47 HG22 THR 47 -14.476 4.321 -9.607 335 3HG2 THR 47 HG23 THR 47 -15.319 5.863 -9.756 336 H CYS 48 HN CYS 48 -13.174 3.371 -6.004 337 HA CYS 48 HA CYS 48 -12.033 1.500 -7.562 338 1HB CYS 48 HB2 CYS 48 -11.283 0.411 -5.442 339 2HB CYS 48 HB1 CYS 48 -11.090 2.160 -5.464 340 HA PRO 49 HA PRO 49 -15.263 -1.609 -7.934 341 1HB PRO 49 HB2 PRO 49 -14.002 -3.190 -9.714 342 2HB PRO 49 HB1 PRO 49 -14.723 -1.643 -10.178 343 1HG PRO 49 HG2 PRO 49 -11.861 -2.304 -9.609 344 2HG PRO 49 HG1 PRO 49 -12.543 -1.299 -10.901 345 1HD PRO 49 HD2 PRO 49 -11.450 -0.279 -8.616 346 2HD PRO 49 HD1 PRO 49 -12.721 0.541 -9.545 347 H SER 50 HN SER 50 -15.534 -3.832 -7.385 348 HA SER 50 HA SER 50 -13.600 -4.744 -5.418 349 1HB SER 50 HB2 SER 50 -16.282 -5.933 -6.158 350 2HB SER 50 HB1 SER 50 -15.310 -6.336 -4.743 351 HG SER 50 HG SER 50 -16.701 -4.869 -3.976 352 H LYS 51 HN LYS 51 -11.936 -5.297 -6.997 353 HA LYS 51 HA LYS 51 -12.499 -7.528 -8.750 354 1HB LYS 51 HB2 LYS 51 -10.147 -7.246 -9.490 355 2HB LYS 51 HB1 LYS 51 -11.125 -5.798 -9.674 356 1HG LYS 51 HG2 LYS 51 -9.553 -4.686 -8.588 357 2HG LYS 51 HG1 LYS 51 -9.986 -5.589 -7.137 358 1HD LYS 51 HD2 LYS 51 -7.784 -6.136 -7.241 359 2HD LYS 51 HD1 LYS 51 -8.422 -7.408 -8.281 360 1HE LYS 51 HE2 LYS 51 -7.792 -6.268 -10.243 361 2HE LYS 51 HE1 LYS 51 -7.510 -4.762 -9.371 362 1HZ LYS 51 HZ1 LYS 51 -5.582 -6.473 -10.069 363 2HZ LYS 51 HZ2 LYS 51 -5.907 -7.012 -8.499 364 3HZ LYS 51 HZ3 LYS 51 -5.461 -5.402 -8.764 365 H LYS 52 HN LYS 52 -13.028 -8.940 -6.932 366 HA LYS 52 HA LYS 52 -10.768 -9.907 -5.388 367 1HB LYS 52 HB2 LYS 52 -13.340 -9.588 -4.702 368 2HB LYS 52 HB1 LYS 52 -13.381 -11.274 -5.202 369 1HG LYS 52 HG2 LYS 52 -11.358 -10.234 -3.245 370 2HG LYS 52 HG1 LYS 52 -12.950 -10.808 -2.748 371 1HD LYS 52 HD2 LYS 52 -12.013 -12.835 -2.632 372 2HD LYS 52 HD1 LYS 52 -12.048 -12.823 -4.396 373 1HE LYS 52 HE2 LYS 52 -9.830 -13.099 -4.289 374 2HE LYS 52 HE1 LYS 52 -9.762 -11.403 -3.810 375 1HZ LYS 52 HZ1 LYS 52 -8.689 -12.265 -2.047 376 2HZ LYS 52 HZ2 LYS 52 -9.383 -13.799 -2.211 377 3HZ LYS 52 HZ3 LYS 52 -10.252 -12.553 -1.466 378 HA PRO 53 HA PRO 53 -12.320 -13.479 -8.644 379 1HB PRO 53 HB2 PRO 53 -10.753 -11.807 -10.583 380 2HB PRO 53 HB1 PRO 53 -12.030 -12.991 -10.902 381 1HG PRO 53 HG2 PRO 53 -12.610 -10.414 -10.915 382 2HG PRO 53 HG1 PRO 53 -13.715 -11.568 -10.143 383 1HD PRO 53 HD2 PRO 53 -11.845 -9.619 -8.907 384 2HD PRO 53 HD1 PRO 53 -13.410 -10.210 -8.315 385 H TYR 54 HN TYR 54 -9.383 -11.623 -8.036 386 HA TYR 54 HA TYR 54 -7.955 -14.148 -7.754 387 1HB TYR 54 HB2 TYR 54 -7.667 -13.022 -10.110 388 2HB TYR 54 HB1 TYR 54 -6.554 -11.968 -9.244 389 HD1 TYR 54 HD1 TYR 54 -6.548 -14.620 -11.325 390 HD2 TYR 54 HD2 TYR 54 -5.072 -13.584 -7.473 391 HE1 TYR 54 HE1 TYR 54 -4.778 -16.312 -11.555 392 HE2 TYR 54 HE2 TYR 54 -3.298 -15.272 -7.691 393 HH TYR 54 HH TYR 54 -2.117 -16.492 -9.411 394 H GLU 55 HN GLU 55 -7.760 -10.600 -7.423 395 HA GLU 55 HA GLU 55 -5.955 -11.040 -5.135 396 1HB GLU 55 HB2 GLU 55 -6.345 -8.406 -6.534 397 2HB GLU 55 HB1 GLU 55 -5.013 -8.909 -5.504 398 1HG GLU 55 HG2 GLU 55 -5.577 -9.642 -8.346 399 2HG GLU 55 HG1 GLU 55 -4.115 -8.957 -7.640 400 H GLU 56 HN GLU 56 -6.203 -9.772 -3.239 401 HA GLU 56 HA GLU 56 -8.980 -9.368 -2.544 402 1HB GLU 56 HB2 GLU 56 -6.990 -10.378 -1.110 403 2HB GLU 56 HB1 GLU 56 -6.753 -8.692 -0.673 404 1HG GLU 56 HG2 GLU 56 -9.310 -10.241 -0.329 405 2HG GLU 56 HG1 GLU 56 -8.142 -9.893 0.944 406 H VAL 57 HN VAL 57 -9.909 -7.526 -3.116 407 HA VAL 57 HA VAL 57 -8.355 -5.035 -2.878 408 HB VAL 57 HB VAL 57 -9.024 -5.471 -5.168 409 1HG1 VAL 57 HG11 VAL 57 -11.370 -6.484 -3.986 410 2HG1 VAL 57 HG12 VAL 57 -10.942 -6.453 -5.696 411 3HG1 VAL 57 HG13 VAL 57 -11.854 -5.122 -4.992 412 1HG2 VAL 57 HG21 VAL 57 -10.371 -3.406 -5.586 413 2HG2 VAL 57 HG22 VAL 57 -8.960 -3.159 -4.557 414 3HG2 VAL 57 HG23 VAL 57 -10.570 -3.248 -3.842 415 H THR 58 HN THR 58 -8.825 -4.253 -0.896 416 HA THR 58 HA THR 58 -11.617 -4.215 -0.010 417 HB THR 58 HB THR 58 -9.507 -3.145 1.766 418 HG1 THR 58 HG1 THR 58 -9.660 -5.924 1.240 419 1HG2 THR 58 HG21 THR 58 -11.838 -3.523 2.507 420 2HG2 THR 58 HG22 THR 58 -10.635 -4.389 3.463 421 3HG2 THR 58 HG23 THR 58 -11.594 -5.251 2.259 422 H CYS 59 HN CYS 59 -12.797 -2.415 -0.059 423 HA CYS 59 HA CYS 59 -11.431 0.106 -0.722 424 1HB CYS 59 HB2 CYS 59 -14.179 -0.952 -1.322 425 2HB CYS 59 HB1 CYS 59 -13.841 0.774 -1.398 426 H CYS 60 HN CYS 60 -11.470 1.760 0.632 427 HA CYS 60 HA CYS 60 -13.527 1.898 2.707 428 1HB CYS 60 HB2 CYS 60 -11.900 2.283 4.466 429 2HB CYS 60 HB1 CYS 60 -11.568 0.741 3.684 430 H SER 61 HN SER 61 -14.210 3.944 3.136 431 HA SER 61 HA SER 61 -12.857 6.097 1.645 432 1HB SER 61 HB2 SER 61 -14.941 7.072 1.214 433 2HB SER 61 HB1 SER 61 -15.254 5.342 1.066 434 HG SER 61 HG SER 61 -16.245 5.348 3.031 435 H THR 62 HN THR 62 -11.627 5.883 3.989 436 HA THR 62 HA THR 62 -12.583 8.214 5.455 437 HB THR 62 HB THR 62 -12.027 6.995 7.629 438 HG1 THR 62 HG1 THR 62 -11.524 4.980 7.484 439 1HG2 THR 62 HG21 THR 62 -14.357 7.532 6.757 440 2HG2 THR 62 HG22 THR 62 -14.208 6.260 7.970 441 3HG2 THR 62 HG23 THR 62 -14.427 5.839 6.271 442 H ASP 63 HN ASP 63 -10.955 9.355 6.577 443 HA ASP 63 HA ASP 63 -8.516 9.588 5.424 444 1HB ASP 63 HB2 ASP 63 -9.115 10.105 8.343 445 2HB ASP 63 HB1 ASP 63 -7.805 10.821 7.408 446 H LYS 64 HN LYS 64 -6.650 8.597 5.445 447 HA LYS 64 HA LYS 64 -5.149 6.880 5.729 448 1HB LYS 64 HB2 LYS 64 -5.627 7.164 8.679 449 2HB LYS 64 HB1 LYS 64 -4.117 6.879 7.828 450 1HG LYS 64 HG2 LYS 64 -5.329 9.403 7.086 451 2HG LYS 64 HG1 LYS 64 -5.013 9.289 8.818 452 1HD LYS 64 HD2 LYS 64 -2.696 8.378 8.029 453 2HD LYS 64 HD1 LYS 64 -3.106 9.201 6.525 454 1HE LYS 64 HE2 LYS 64 -2.038 10.908 7.595 455 2HE LYS 64 HE1 LYS 64 -3.671 11.175 8.202 456 1HZ LYS 64 HZ1 LYS 64 -3.041 9.810 10.162 457 2HZ LYS 64 HZ2 LYS 64 -2.177 11.258 10.032 458 3HZ LYS 64 HZ3 LYS 64 -1.446 9.796 9.598 459 H CYS 65 HN CYS 65 -7.665 5.855 5.219 460 HA CYS 65 HA CYS 65 -8.162 3.780 7.183 461 1HB CYS 65 HB2 CYS 65 -10.168 3.292 6.017 462 2HB CYS 65 HB1 CYS 65 -10.020 5.041 6.112 463 H ASN 66 HN ASN 66 -6.159 4.038 4.480 464 HA ASN 66 HA ASN 66 -6.338 1.140 3.999 465 1HB ASN 66 HB2 ASN 66 -4.973 1.668 1.918 466 2HB ASN 66 HB1 ASN 66 -6.638 2.232 1.923 467 1HD2 ASN 66 HD21 ASN 66 -4.197 3.117 0.486 468 2HD2 ASN 66 HD22 ASN 66 -4.066 4.808 0.816 469 HA PRO 67 HA PRO 67 -2.244 1.714 6.060 470 1HB PRO 67 HB2 PRO 67 -2.660 0.506 8.365 471 2HB PRO 67 HB1 PRO 67 -3.445 2.060 8.062 472 1HG PRO 67 HG2 PRO 67 -4.601 -0.698 7.789 473 2HG PRO 67 HG1 PRO 67 -5.273 0.708 8.640 474 1HD PRO 67 HD2 PRO 67 -5.939 0.007 6.059 475 2HD PRO 67 HD1 PRO 67 -6.050 1.652 6.713 476 H HIS 68 HN HIS 68 -1.812 -0.850 7.717 477 HA HIS 68 HA HIS 68 -1.196 -2.542 5.411 478 1HB HIS 68 HB2 HIS 68 0.283 -1.852 7.635 479 2HB HIS 68 HB1 HIS 68 -0.272 -3.475 8.024 480 HD1 HIS 68 HD1 HIS 68 1.184 -1.872 4.842 481 HD2 HIS 68 HD2 HIS 68 1.566 -5.270 7.241 482 HE1 HIS 68 HE1 HIS 68 3.085 -3.198 3.879 483 HE2 HIS 68 HE2 HIS 68 3.286 -5.245 5.314 484 HA PRO 69 HA PRO 69 -4.204 -5.565 6.612 485 1HB PRO 69 HB2 PRO 69 -3.208 -7.758 5.384 486 2HB PRO 69 HB1 PRO 69 -3.890 -6.397 4.494 487 1HG PRO 69 HG2 PRO 69 -1.087 -7.236 4.778 488 2HG PRO 69 HG1 PRO 69 -1.842 -6.249 3.521 489 1HD PRO 69 HD2 PRO 69 -0.309 -5.377 5.772 490 2HD PRO 69 HD1 PRO 69 -1.078 -4.376 4.531 491 H LYS 70 HN LYS 70 -1.017 -7.158 6.741 492 HA LYS 70 HA LYS 70 -1.740 -8.818 8.937 493 1HB LYS 70 HB2 LYS 70 -0.068 -9.802 7.701 494 2HB LYS 70 HB1 LYS 70 0.713 -8.272 7.338 495 1HG LYS 70 HG2 LYS 70 2.224 -9.420 8.692 496 2HG LYS 70 HG1 LYS 70 1.459 -8.258 9.773 497 1HD LYS 70 HD2 LYS 70 0.353 -9.871 10.945 498 2HD LYS 70 HD1 LYS 70 0.223 -10.946 9.551 499 1HE LYS 70 HE2 LYS 70 2.320 -11.828 9.865 500 2HE LYS 70 HE1 LYS 70 2.917 -10.390 10.695 501 1HZ LYS 70 HZ1 LYS 70 2.672 -11.689 12.496 502 2HZ LYS 70 HZ2 LYS 70 1.539 -12.709 11.764 503 3HZ LYS 70 HZ3 LYS 70 1.048 -11.222 12.402 504 H GLN 71 HN GLN 71 0.052 -5.825 8.524 505 HA GLN 71 HA GLN 71 0.495 -5.572 11.396 506 1HB GLN 71 HB2 GLN 71 1.283 -3.701 9.156 507 2HB GLN 71 HB1 GLN 71 1.811 -3.597 10.828 508 1HG GLN 71 HG2 GLN 71 3.120 -5.533 10.645 509 2HG GLN 71 HG1 GLN 71 2.371 -5.992 9.117 510 1HE2 GLN 71 HE21 GLN 71 4.114 -3.240 10.531 511 2HE2 GLN 71 HE22 GLN 71 5.108 -2.939 9.151 512 H ARG 72 HN ARG 72 0.309 -3.018 11.951 513 HA ARG 72 HA ARG 72 -1.371 -1.173 11.269 514 1HB ARG 72 HB2 ARG 72 -3.035 -3.549 11.852 515 2HB ARG 72 HB1 ARG 72 -3.596 -2.032 12.543 516 1HG ARG 72 HG2 ARG 72 -3.684 -1.007 10.388 517 2HG ARG 72 HG1 ARG 72 -2.931 -2.414 9.639 518 1HD ARG 72 HD2 ARG 72 -5.630 -2.339 10.988 519 2HD ARG 72 HD1 ARG 72 -5.340 -2.398 9.251 520 HE ARG 72 HE ARG 72 -4.065 -4.582 10.480 521 1HH1 ARG 72 HH11 ARG 72 -7.265 -3.409 9.729 522 2HH1 ARG 72 HH12 ARG 72 -7.959 -4.992 9.627 523 1HH2 ARG 72 HH21 ARG 72 -4.977 -6.667 10.346 524 2HH2 ARG 72 HH22 ARG 72 -6.660 -6.842 9.978 525 HA PRO 73 HA PRO 73 -1.804 -1.291 16.049 526 1HB PRO 73 HB2 PRO 73 -1.192 -3.562 17.375 527 2HB PRO 73 HB1 PRO 73 -2.801 -3.263 16.709 528 1HG PRO 73 HG2 PRO 73 -0.563 -4.908 15.591 529 2HG PRO 73 HG1 PRO 73 -2.295 -5.279 15.666 530 1HD PRO 73 HD2 PRO 73 -1.073 -4.352 13.422 531 2HD PRO 73 HD1 PRO 73 -2.773 -4.019 13.804 532 H GLY 74 HN GLY 74 -0.005 0.055 15.963 533 1HA GLY 74 HA2 GLY 74 2.659 -0.740 15.691 534 2HA GLY 74 HA1 GLY 74 2.126 0.746 16.461 535 1H GLU 180 HT1 GLU 180 16.531 16.248 2.950 536 2H GLU 180 HT2 GLU 180 18.195 15.925 3.216 537 3H GLU 180 HT3 GLU 180 17.009 14.780 3.694 538 HA GLU 180 HA GLU 180 17.576 15.622 0.932 539 1HB GLU 180 HB2 GLU 180 19.348 14.286 2.174 540 2HB GLU 180 HB1 GLU 180 18.170 12.985 2.278 541 1HG GLU 180 HG2 GLU 180 19.758 12.699 0.427 542 2HG GLU 180 HG1 GLU 180 18.084 12.800 -0.115 543 H GLU 181 HN GLU 181 16.203 14.826 -0.589 544 HA GLU 181 HA GLU 181 13.818 13.436 0.412 545 1HB GLU 181 HB2 GLU 181 14.186 15.639 -1.353 546 2HB GLU 181 HB1 GLU 181 13.479 14.323 -2.280 547 1HG GLU 181 HG2 GLU 181 11.548 14.296 -1.029 548 2HG GLU 181 HG1 GLU 181 12.318 15.044 0.369 549 H ARG 182 HN ARG 182 16.610 12.976 -1.488 550 HA ARG 182 HA ARG 182 17.395 11.225 -2.699 551 1HB ARG 182 HB2 ARG 182 15.103 9.897 -1.272 552 2HB ARG 182 HB1 ARG 182 16.111 9.014 -2.408 553 1HG ARG 182 HG2 ARG 182 17.225 10.495 -0.043 554 2HG ARG 182 HG1 ARG 182 16.731 8.802 0.019 555 1HD ARG 182 HD2 ARG 182 18.734 8.234 -0.753 556 2HD ARG 182 HD1 ARG 182 18.354 9.065 -2.260 557 HE ARG 182 HE ARG 182 19.265 10.891 -0.285 558 1HH1 ARG 182 HH11 ARG 182 20.377 8.456 -2.523 559 2HH1 ARG 182 HH12 ARG 182 21.958 9.145 -2.682 560 1HH2 ARG 182 HH21 ARG 182 21.343 11.799 -0.493 561 2HH2 ARG 182 HH22 ARG 182 22.507 11.043 -1.529 562 H GLY 183 HN GLY 183 13.981 10.292 -2.966 563 1HA GLY 183 HA2 GLY 183 13.991 11.214 -5.758 564 2HA GLY 183 HA1 GLY 183 13.632 9.527 -5.422 565 H TRP 184 HN TRP 184 11.541 9.504 -6.131 566 HA TRP 184 HA TRP 184 9.680 11.452 -5.013 567 1HB TRP 184 HB2 TRP 184 8.057 10.241 -6.633 568 2HB TRP 184 HB1 TRP 184 9.290 11.301 -7.286 569 HD1 TRP 184 HD1 TRP 184 9.432 10.164 -9.606 570 HE1 TRP 184 HE1 TRP 184 10.351 7.918 -10.444 571 HE3 TRP 184 HE3 TRP 184 9.983 7.727 -5.096 572 HZ2 TRP 184 HZ2 TRP 184 11.189 5.463 -9.373 573 HZ3 TRP 184 HZ3 TRP 184 10.842 5.437 -5.131 574 HH2 TRP 184 HH2 TRP 184 11.437 4.326 -7.216 575 H LYS 185 HN LYS 185 7.923 8.694 -5.768 576 HA LYS 185 HA LYS 185 8.218 7.564 -3.100 577 1HB LYS 185 HB2 LYS 185 6.126 9.321 -3.782 578 2HB LYS 185 HB1 LYS 185 5.417 7.717 -3.718 579 1HG LYS 185 HG2 LYS 185 5.597 7.595 -1.507 580 2HG LYS 185 HG1 LYS 185 7.214 8.276 -1.519 581 1HD LYS 185 HD2 LYS 185 5.366 9.561 -0.329 582 2HD LYS 185 HD1 LYS 185 6.425 10.453 -1.428 583 1HE LYS 185 HE2 LYS 185 4.769 10.665 -3.045 584 2HE LYS 185 HE1 LYS 185 3.848 9.297 -2.420 585 1HZ LYS 185 HZ1 LYS 185 3.276 10.639 -0.479 586 2HZ LYS 185 HZ2 LYS 185 2.747 11.369 -1.910 587 3HZ LYS 185 HZ3 LYS 185 4.124 11.955 -1.123 588 H HIS 186 HN HIS 186 8.696 5.485 -3.481 589 HA HIS 186 HA HIS 186 6.809 3.929 -5.089 590 1HB HIS 186 HB2 HIS 186 8.812 4.499 -6.520 591 2HB HIS 186 HB1 HIS 186 9.792 3.558 -5.402 592 HD1 HIS 186 HD1 HIS 186 10.092 2.343 -7.932 593 HD2 HIS 186 HD2 HIS 186 6.613 1.648 -5.768 594 HE1 HIS 186 HE1 HIS 186 9.110 0.238 -8.894 595 HE2 HIS 186 HE2 HIS 186 6.949 -0.099 -7.644 596 H TRP 187 HN TRP 187 6.135 2.214 -3.915 597 HA TRP 187 HA TRP 187 7.981 1.049 -1.929 598 1HB TRP 187 HB2 TRP 187 5.572 2.508 -1.407 599 2HB TRP 187 HB1 TRP 187 5.377 0.863 -0.860 600 HD1 TRP 187 HD1 TRP 187 6.695 4.121 0.188 601 HE1 TRP 187 HE1 TRP 187 8.005 3.914 2.380 602 HE3 TRP 187 HE3 TRP 187 7.161 -0.965 0.403 603 HZ2 TRP 187 HZ2 TRP 187 9.085 1.886 3.996 604 HZ3 TRP 187 HZ3 TRP 187 8.358 -1.948 2.306 605 HH2 TRP 187 HH2 TRP 187 9.292 -0.545 4.072 606 H VAL 188 HN VAL 188 7.531 -1.040 -1.294 607 HA VAL 188 HA VAL 188 5.488 -2.541 -2.735 608 HB VAL 188 HB VAL 188 8.158 -3.842 -2.343 609 1HG1 VAL 188 HG11 VAL 188 6.051 -5.071 -2.986 610 2HG1 VAL 188 HG12 VAL 188 7.423 -5.298 -4.070 611 3HG1 VAL 188 HG13 VAL 188 6.112 -4.208 -4.524 612 1HG2 VAL 188 HG21 VAL 188 8.914 -3.171 -4.541 613 2HG2 VAL 188 HG22 VAL 188 8.624 -1.737 -3.556 614 3HG2 VAL 188 HG23 VAL 188 7.452 -2.213 -4.784 615 H TYR 189 HN TYR 189 4.264 -2.729 -0.870 616 HA TYR 189 HA TYR 189 5.576 -3.703 1.536 617 1HB TYR 189 HB2 TYR 189 3.073 -2.251 0.882 618 2HB TYR 189 HB1 TYR 189 3.024 -3.318 2.281 619 HD1 TYR 189 HD1 TYR 189 5.846 -2.929 3.238 620 HD2 TYR 189 HD2 TYR 189 2.945 -0.157 1.880 621 HE1 TYR 189 HE1 TYR 189 6.912 -1.166 4.545 622 HE2 TYR 189 HE2 TYR 189 4.004 1.622 3.193 623 HH TYR 189 HH TYR 189 6.400 0.972 5.546 624 H TYR 190 HN TYR 190 5.678 -5.802 1.878 625 HA TYR 190 HA TYR 190 3.711 -7.557 0.612 626 1HB TYR 190 HB2 TYR 190 6.343 -8.193 1.974 627 2HB TYR 190 HB1 TYR 190 5.270 -9.395 1.277 628 HD1 TYR 190 HD1 TYR 190 6.458 -6.105 -0.067 629 HD2 TYR 190 HD2 TYR 190 6.390 -10.330 -0.521 630 HE1 TYR 190 HE1 TYR 190 7.654 -5.902 -2.194 631 HE2 TYR 190 HE2 TYR 190 7.585 -10.142 -2.649 632 HH TYR 190 HH TYR 190 9.228 -8.271 -3.674 633 H THR 191 HN THR 191 2.396 -8.931 1.789 634 HA THR 191 HA THR 191 2.083 -8.236 4.594 635 HB THR 191 HB THR 191 -0.041 -9.039 4.494 636 HG1 THR 191 HG1 THR 191 -0.440 -11.026 3.988 637 1HG2 THR 191 HG21 THR 191 -0.734 -9.383 1.909 638 2HG2 THR 191 HG22 THR 191 0.692 -8.365 1.749 639 3HG2 THR 191 HG23 THR 191 -0.663 -7.830 2.738 640 H CYS 192 HN CYS 192 1.511 -10.227 6.019 641 HA CYS 192 HA CYS 192 2.023 -12.396 6.801 642 1HB CYS 192 HB2 CYS 192 2.787 -13.783 5.180 643 2HB CYS 192 HB1 CYS 192 3.514 -12.469 4.274 644 H CYS 193 HN CYS 193 4.791 -10.650 5.670 645 HA CYS 193 HA CYS 193 6.108 -11.078 8.242 646 1HB CYS 193 HB2 CYS 193 7.842 -10.479 6.005 647 2HB CYS 193 HB1 CYS 193 7.780 -11.928 7.008 648 HA PRO 194 HA PRO 194 5.229 -6.535 8.327 649 1HB PRO 194 HB2 PRO 194 6.116 -7.395 11.054 650 2HB PRO 194 HB1 PRO 194 4.873 -6.219 10.608 651 1HG PRO 194 HG2 PRO 194 4.140 -8.617 11.376 652 2HG PRO 194 HG1 PRO 194 3.373 -7.899 9.945 653 1HD PRO 194 HD2 PRO 194 5.481 -10.012 10.105 654 2HD PRO 194 HD1 PRO 194 4.111 -9.865 8.984 655 H ASP 195 HN ASP 195 7.958 -8.418 9.584 656 HA ASP 195 HA ASP 195 9.671 -6.078 9.627 657 1HB ASP 195 HB2 ASP 195 10.150 -8.966 10.365 658 2HB ASP 195 HB1 ASP 195 11.393 -7.721 10.449 659 H THR 196 HN THR 196 8.618 -7.244 7.049 660 HA THR 196 HA THR 196 11.224 -7.348 5.736 661 HB THR 196 HB THR 196 10.798 -9.259 4.484 662 HG1 THR 196 HG1 THR 196 8.753 -8.869 3.745 663 1HG2 THR 196 HG21 THR 196 10.073 -11.037 5.976 664 2HG2 THR 196 HG22 THR 196 9.444 -9.839 7.107 665 3HG2 THR 196 HG23 THR 196 11.177 -9.927 6.788 666 HA PRO 197 HA PRO 197 8.061 -4.758 3.443 667 1HB PRO 197 HB2 PRO 197 8.523 -2.301 4.360 668 2HB PRO 197 HB1 PRO 197 7.506 -3.420 5.277 669 1HG PRO 197 HG2 PRO 197 10.360 -2.650 5.726 670 2HG PRO 197 HG1 PRO 197 9.068 -2.906 6.912 671 1HD PRO 197 HD2 PRO 197 11.015 -4.771 6.238 672 2HD PRO 197 HD1 PRO 197 9.463 -5.145 7.012 673 H TYR 198 HN TYR 198 8.789 -4.298 1.410 674 HA TYR 198 HA TYR 198 11.610 -3.528 1.147 675 1HB TYR 198 HB2 TYR 198 9.831 -4.337 -1.141 676 2HB TYR 198 HB1 TYR 198 11.582 -4.424 -1.026 677 HD1 TYR 198 HD1 TYR 198 9.828 -6.620 -1.944 678 HD2 TYR 198 HD2 TYR 198 11.259 -5.663 1.936 679 HE1 TYR 198 HE1 TYR 198 9.626 -8.951 -1.299 680 HE2 TYR 198 HE2 TYR 198 11.048 -8.022 2.602 681 HH TYR 198 HH TYR 198 9.611 -10.037 1.800 682 H LEU 199 HN LEU 199 12.185 -1.565 0.660 683 HA LEU 199 HA LEU 199 10.153 0.413 -0.065 684 1HB LEU 199 HB2 LEU 199 11.854 0.507 1.906 685 2HB LEU 199 HB1 LEU 199 12.993 1.007 0.676 686 HG LEU 199 HG LEU 199 10.491 2.447 1.538 687 1HD1 LEU 199 HD11 LEU 199 11.947 3.231 3.062 688 2HD1 LEU 199 HD12 LEU 199 12.638 4.147 1.724 689 3HD1 LEU 199 HD13 LEU 199 13.340 2.600 2.187 690 1HD2 LEU 199 HD21 LEU 199 12.206 2.765 -0.867 691 2HD2 LEU 199 HD22 LEU 199 11.663 4.225 -0.044 692 3HD2 LEU 199 HD23 LEU 199 10.482 3.070 -0.657 693 H ASP 200 HN ASP 200 10.267 1.702 -1.868 694 HA ASP 200 HA ASP 200 12.467 1.166 -3.747 695 1HB ASP 200 HB2 ASP 200 9.519 1.257 -4.211 696 2HB ASP 200 HB1 ASP 200 10.596 1.799 -5.495 697 H ILE 201 HN ILE 201 13.682 2.873 -4.019 698 HA ILE 201 HA ILE 201 12.464 5.502 -4.335 699 HB ILE 201 HB ILE 201 13.594 4.851 -1.938 700 1HG1 ILE 201 HG12 ILE 201 12.244 6.776 -2.160 701 2HG1 ILE 201 HG11 ILE 201 13.816 7.372 -1.639 702 1HG2 ILE 201 HG21 ILE 201 15.751 5.912 -1.737 703 2HG2 ILE 201 HG22 ILE 201 15.736 6.335 -3.449 704 3HG2 ILE 201 HG23 ILE 201 15.829 4.642 -2.960 705 1HD1 ILE 201 HD11 ILE 201 12.825 8.767 -3.383 706 2HD1 ILE 201 HD12 ILE 201 12.802 7.381 -4.471 707 3HD1 ILE 201 HD13 ILE 201 14.340 8.033 -3.910 708 H THR 202 HN THR 202 13.226 6.461 -6.112 709 HA THR 202 HA THR 202 15.295 5.274 -7.655 710 HB THR 202 HB THR 202 13.392 6.457 -8.672 711 HG1 THR 202 HG1 THR 202 14.984 6.425 -10.095 712 1HG2 THR 202 HG21 THR 202 13.121 8.783 -8.657 713 2HG2 THR 202 HG22 THR 202 14.678 9.043 -7.872 714 3HG2 THR 202 HG23 THR 202 13.345 8.325 -6.969 715 H GLU 203 HN GLU 203 17.098 6.688 -8.585 716 HA GLU 203 HA GLU 203 18.384 8.170 -6.385 717 1HB GLU 203 HB2 GLU 203 19.284 5.876 -7.816 718 2HB GLU 203 HB1 GLU 203 20.335 7.221 -8.238 719 1HG GLU 203 HG2 GLU 203 20.922 7.580 -5.966 720 2HG GLU 203 HG1 GLU 203 19.679 6.463 -5.405 721 H GLU 204 HN GLU 204 19.178 7.756 -9.824 722 HA GLU 204 HA GLU 204 18.866 10.658 -10.184 723 1HB GLU 204 HB2 GLU 204 20.898 10.533 -11.700 724 2HB GLU 204 HB1 GLU 204 21.209 10.399 -9.974 725 1HG GLU 204 HG2 GLU 204 20.776 7.800 -11.115 726 2HG GLU 204 HG1 GLU 204 22.033 8.664 -12.000 Start of MODEL 18 1 1H ILE 1 HT1 ILE 1 -11.384 14.523 3.564 2 2H ILE 1 HT2 ILE 1 -10.852 13.724 2.141 3 3H ILE 1 HT3 ILE 1 -9.768 14.715 3.028 4 HA ILE 1 HA ILE 1 -10.326 13.129 4.940 5 HB ILE 1 HB ILE 1 -10.817 10.892 4.302 6 1HG1 ILE 1 HG12 ILE 1 -11.550 10.686 1.720 7 2HG1 ILE 1 HG11 ILE 1 -10.291 11.907 1.561 8 1HG2 ILE 1 HG21 ILE 1 -12.845 11.889 4.651 9 2HG2 ILE 1 HG22 ILE 1 -13.059 11.308 3.000 10 3HG2 ILE 1 HG23 ILE 1 -12.659 13.001 3.294 11 1HD1 ILE 1 HD11 ILE 1 -8.631 10.461 2.114 12 2HD1 ILE 1 HD12 ILE 1 -9.775 9.328 1.395 13 3HD1 ILE 1 HD13 ILE 1 -9.673 9.484 3.149 14 H VAL 2 HN VAL 2 -8.720 11.516 5.385 15 HA VAL 2 HA VAL 2 -6.226 12.081 3.956 16 HB VAL 2 HB VAL 2 -6.727 10.795 6.651 17 1HG1 VAL 2 HG11 VAL 2 -4.243 11.231 6.941 18 2HG1 VAL 2 HG12 VAL 2 -4.178 11.494 5.199 19 3HG1 VAL 2 HG13 VAL 2 -4.676 9.926 5.836 20 1HG2 VAL 2 HG21 VAL 2 -6.295 13.583 5.770 21 2HG2 VAL 2 HG22 VAL 2 -5.402 13.070 7.202 22 3HG2 VAL 2 HG23 VAL 2 -7.162 12.952 7.172 23 H CYS 3 HN CYS 3 -4.698 10.212 3.650 24 HA CYS 3 HA CYS 3 -6.002 7.609 3.594 25 1HB CYS 3 HB2 CYS 3 -6.254 8.997 1.349 26 2HB CYS 3 HB1 CYS 3 -4.624 8.386 1.067 27 H HIS 4 HN HIS 4 -4.664 5.911 3.811 28 HA HIS 4 HA HIS 4 -1.838 6.475 4.358 29 1HB HIS 4 HB2 HIS 4 -3.792 4.375 5.165 30 2HB HIS 4 HB1 HIS 4 -2.100 3.914 5.075 31 HD1 HIS 4 HD1 HIS 4 -1.419 7.017 6.162 32 HD2 HIS 4 HD2 HIS 4 -3.555 3.935 7.952 33 HE1 HIS 4 HE1 HIS 4 -1.316 7.479 8.633 34 HE2 HIS 4 HE2 HIS 4 -2.509 5.535 9.703 35 H THR 5 HN THR 5 -1.243 6.624 2.085 36 HA THR 5 HA THR 5 -1.463 4.181 0.535 37 HB THR 5 HB THR 5 -1.820 6.028 -0.840 38 HG1 THR 5 HG1 THR 5 -0.448 5.200 -2.177 39 1HG2 THR 5 HG21 THR 5 0.209 7.803 -0.851 40 2HG2 THR 5 HG22 THR 5 0.127 7.398 0.862 41 3HG2 THR 5 HG23 THR 5 -1.300 8.014 0.035 42 H THR 6 HN THR 6 0.621 3.572 -0.697 43 HA THR 6 HA THR 6 2.900 3.599 1.131 44 HB THR 6 HB THR 6 3.215 1.220 0.147 45 HG1 THR 6 HG1 THR 6 1.650 0.990 -1.298 46 1HG2 THR 6 HG21 THR 6 1.047 1.771 2.147 47 2HG2 THR 6 HG22 THR 6 2.756 1.525 2.494 48 3HG2 THR 6 HG23 THR 6 1.783 0.193 1.856 49 H ALA 7 HN ALA 7 4.286 4.946 -0.060 50 HA ALA 7 HA ALA 7 5.317 3.858 -2.492 51 1HB ALA 7 HB1 ALA 7 3.163 4.877 -3.178 52 2HB ALA 7 HB2 ALA 7 4.580 5.438 -4.057 53 3HB ALA 7 HB3 ALA 7 3.865 6.445 -2.801 54 H THR 8 HN THR 8 5.429 6.575 -0.181 55 HA THR 8 HA THR 8 7.822 7.601 -1.445 56 HB THR 8 HB THR 8 7.750 9.404 -0.061 57 HG1 THR 8 HG1 THR 8 6.429 7.899 1.946 58 1HG2 THR 8 HG21 THR 8 5.722 9.935 -0.832 59 2HG2 THR 8 HG22 THR 8 5.225 9.607 0.826 60 3HG2 THR 8 HG23 THR 8 5.024 8.375 -0.414 61 H SER 9 HN SER 9 9.040 8.167 1.377 62 HA SER 9 HA SER 9 10.865 5.994 1.259 63 1HB SER 9 HB2 SER 9 10.539 8.388 3.001 64 2HB SER 9 HB1 SER 9 11.479 7.044 3.651 65 HG SER 9 HG SER 9 12.328 8.883 2.033 66 HA PRO 10 HA PRO 10 8.457 4.117 4.820 67 1HB PRO 10 HB2 PRO 10 7.126 5.643 6.585 68 2HB PRO 10 HB1 PRO 10 8.894 5.590 6.600 69 1HG PRO 10 HG2 PRO 10 7.116 7.775 5.805 70 2HG PRO 10 HG1 PRO 10 8.846 7.821 6.179 71 1HD PRO 10 HD2 PRO 10 7.518 7.646 3.577 72 2HD PRO 10 HD1 PRO 10 9.208 8.026 3.946 73 H ILE 11 HN ILE 11 5.842 4.211 5.810 74 HA ILE 11 HA ILE 11 4.276 3.889 3.478 75 HB ILE 11 HB ILE 11 3.299 4.448 6.285 76 1HG1 ILE 11 HG12 ILE 11 2.961 1.731 5.406 77 2HG1 ILE 11 HG11 ILE 11 4.652 2.201 5.260 78 1HG2 ILE 11 HG21 ILE 11 1.247 3.215 5.429 79 2HG2 ILE 11 HG22 ILE 11 1.891 3.503 3.812 80 3HG2 ILE 11 HG23 ILE 11 1.486 4.866 4.855 81 1HD1 ILE 11 HD11 ILE 11 3.720 1.167 7.472 82 2HD1 ILE 11 HD12 ILE 11 3.210 2.827 7.781 83 3HD1 ILE 11 HD13 ILE 11 4.915 2.463 7.512 84 H SER 12 HN SER 12 2.891 5.374 2.396 85 HA SER 12 HA SER 12 3.468 8.159 3.053 86 1HB SER 12 HB2 SER 12 2.503 8.602 0.770 87 2HB SER 12 HB1 SER 12 3.917 7.550 0.765 88 HG SER 12 HG SER 12 2.602 5.795 0.453 89 H ALA 13 HN ALA 13 1.984 9.631 3.605 90 HA ALA 13 HA ALA 13 -0.815 8.745 3.818 91 1HB ALA 13 HB1 ALA 13 0.534 8.921 6.000 92 2HB ALA 13 HB2 ALA 13 -1.047 9.700 5.930 93 3HB ALA 13 HB3 ALA 13 0.418 10.664 5.761 94 H VAL 14 HN VAL 14 -1.625 9.776 2.063 95 HA VAL 14 HA VAL 14 -1.305 12.707 1.990 96 HB VAL 14 HB VAL 14 -1.642 12.609 -0.448 97 1HG1 VAL 14 HG11 VAL 14 0.564 12.299 -0.876 98 2HG1 VAL 14 HG12 VAL 14 0.626 10.754 -0.029 99 3HG1 VAL 14 HG13 VAL 14 0.645 12.263 0.885 100 1HG2 VAL 14 HG21 VAL 14 -1.046 10.028 -1.184 101 2HG2 VAL 14 HG22 VAL 14 -2.644 10.771 -1.239 102 3HG2 VAL 14 HG23 VAL 14 -2.171 9.804 0.157 103 H THR 15 HN THR 15 -3.094 13.957 1.492 104 HA THR 15 HA THR 15 -5.635 12.754 2.158 105 HB THR 15 HB THR 15 -4.833 15.022 2.983 106 HG1 THR 15 HG1 THR 15 -7.322 15.012 1.631 107 1HG2 THR 15 HG21 THR 15 -4.011 15.948 0.902 108 2HG2 THR 15 HG22 THR 15 -5.306 16.946 1.568 109 3HG2 THR 15 HG23 THR 15 -5.632 15.864 0.213 110 H CYS 16 HN CYS 16 -7.462 12.724 0.829 111 HA CYS 16 HA CYS 16 -6.846 12.555 -2.007 112 1HB CYS 16 HB2 CYS 16 -9.368 11.814 -0.513 113 2HB CYS 16 HB1 CYS 16 -9.034 11.468 -2.205 114 HA PRO 17 HA PRO 17 -8.845 16.324 -3.124 115 1HB PRO 17 HB2 PRO 17 -9.709 15.791 -5.615 116 2HB PRO 17 HB1 PRO 17 -7.989 15.918 -5.226 117 1HG PRO 17 HG2 PRO 17 -9.676 13.475 -5.580 118 2HG PRO 17 HG1 PRO 17 -8.033 13.793 -6.161 119 1HD PRO 17 HD2 PRO 17 -8.591 12.319 -3.927 120 2HD PRO 17 HD1 PRO 17 -7.083 13.225 -4.154 121 HA PRO 18 HA PRO 18 -13.210 16.565 -2.565 122 1HB PRO 18 HB2 PRO 18 -13.591 17.715 -5.278 123 2HB PRO 18 HB1 PRO 18 -14.046 18.371 -3.702 124 1HG PRO 18 HG2 PRO 18 -11.973 19.369 -5.040 125 2HG PRO 18 HG1 PRO 18 -11.914 19.181 -3.277 126 1HD PRO 18 HD2 PRO 18 -10.663 17.495 -5.408 127 2HD PRO 18 HD1 PRO 18 -10.010 17.987 -3.833 128 H GLY 19 HN GLY 19 -12.350 15.430 -5.824 129 1HA GLY 19 HA2 GLY 19 -14.841 14.141 -6.314 130 2HA GLY 19 HA1 GLY 19 -13.345 13.867 -7.195 131 H GLU 20 HN GLU 20 -11.809 12.350 -6.314 132 HA GLU 20 HA GLU 20 -13.132 10.100 -5.071 133 1HB GLU 20 HB2 GLU 20 -11.071 8.892 -5.541 134 2HB GLU 20 HB1 GLU 20 -11.586 9.775 -6.967 135 1HG GLU 20 HG2 GLU 20 -9.554 10.599 -7.095 136 2HG GLU 20 HG1 GLU 20 -9.904 11.526 -5.639 137 H ASN 21 HN ASN 21 -13.011 9.567 -2.969 138 HA ASN 21 HA ASN 21 -10.850 10.705 -1.336 139 1HB ASN 21 HB2 ASN 21 -13.569 10.590 -0.122 140 2HB ASN 21 HB1 ASN 21 -12.238 11.693 0.210 141 1HD2 ASN 21 HD21 ASN 21 -14.562 10.829 -2.288 142 2HD2 ASN 21 HD22 ASN 21 -14.814 12.439 -2.870 143 H LEU 22 HN LEU 22 -11.752 7.989 -2.454 144 HA LEU 22 HA LEU 22 -12.238 6.529 0.009 145 1HB LEU 22 HB2 LEU 22 -13.032 6.147 -2.606 146 2HB LEU 22 HB1 LEU 22 -11.802 4.917 -2.372 147 HG LEU 22 HG LEU 22 -13.981 5.262 -0.364 148 1HD1 LEU 22 HD11 LEU 22 -15.455 4.878 -2.033 149 2HD1 LEU 22 HD12 LEU 22 -14.921 3.210 -1.815 150 3HD1 LEU 22 HD13 LEU 22 -14.229 4.196 -3.103 151 1HD2 LEU 22 HD21 LEU 22 -12.619 3.755 0.542 152 2HD2 LEU 22 HD22 LEU 22 -11.903 3.295 -1.002 153 3HD2 LEU 22 HD23 LEU 22 -13.470 2.637 -0.524 154 H CYS 23 HN CYS 23 -10.973 4.697 0.615 155 HA CYS 23 HA CYS 23 -8.171 4.862 -0.232 156 1HB CYS 23 HB2 CYS 23 -9.319 4.584 2.512 157 2HB CYS 23 HB1 CYS 23 -7.667 4.117 2.157 158 H TYR 24 HN TYR 24 -7.836 3.088 -1.430 159 HA TYR 24 HA TYR 24 -9.134 0.592 -0.669 160 1HB TYR 24 HB2 TYR 24 -8.456 -0.247 -2.838 161 2HB TYR 24 HB1 TYR 24 -9.210 1.333 -3.035 162 HD1 TYR 24 HD1 TYR 24 -7.828 3.308 -3.547 163 HD2 TYR 24 HD2 TYR 24 -6.142 -0.600 -3.395 164 HE1 TYR 24 HE1 TYR 24 -5.846 4.119 -4.745 165 HE2 TYR 24 HE2 TYR 24 -4.160 0.207 -4.593 166 HH TYR 24 HH TYR 24 -4.037 3.291 -6.092 167 H ARG 25 HN ARG 25 -7.904 -1.411 -0.745 168 HA ARG 25 HA ARG 25 -5.119 -1.082 0.148 169 1HB ARG 25 HB2 ARG 25 -7.396 -2.402 1.464 170 2HB ARG 25 HB1 ARG 25 -5.944 -3.389 1.380 171 1HG ARG 25 HG2 ARG 25 -4.918 -1.030 2.232 172 2HG ARG 25 HG1 ARG 25 -6.516 -1.003 2.980 173 1HD ARG 25 HD2 ARG 25 -5.031 -2.038 4.523 174 2HD ARG 25 HD1 ARG 25 -6.047 -3.306 3.847 175 HE ARG 25 HE ARG 25 -3.206 -2.867 3.290 176 1HH1 ARG 25 HH11 ARG 25 -6.086 -4.805 2.855 177 2HH1 ARG 25 HH12 ARG 25 -5.222 -6.158 2.209 178 1HH2 ARG 25 HH21 ARG 25 -2.083 -4.646 2.430 179 2HH2 ARG 25 HH22 ARG 25 -2.956 -6.069 1.970 180 H LYS 26 HN LYS 26 -4.460 -1.536 -2.013 181 HA LYS 26 HA LYS 26 -5.276 -3.884 -3.391 182 1HB LYS 26 HB2 LYS 26 -3.288 -1.739 -3.793 183 2HB LYS 26 HB1 LYS 26 -2.897 -3.276 -4.548 184 1HG LYS 26 HG2 LYS 26 -5.645 -2.289 -4.953 185 2HG LYS 26 HG1 LYS 26 -4.354 -1.370 -5.731 186 1HD LYS 26 HD2 LYS 26 -4.843 -2.929 -7.353 187 2HD LYS 26 HD1 LYS 26 -3.529 -3.728 -6.489 188 1HE LYS 26 HE2 LYS 26 -5.118 -5.042 -5.221 189 2HE LYS 26 HE1 LYS 26 -6.463 -4.192 -5.981 190 1HZ LYS 26 HZ1 LYS 26 -5.617 -5.070 -8.143 191 2HZ LYS 26 HZ2 LYS 26 -6.209 -6.252 -7.090 192 3HZ LYS 26 HZ3 LYS 26 -4.541 -6.043 -7.274 193 H MET 27 HN MET 27 -4.869 -5.861 -2.698 194 HA MET 27 HA MET 27 -2.152 -6.462 -1.759 195 1HB MET 27 HB2 MET 27 -3.978 -6.375 0.062 196 2HB MET 27 HB1 MET 27 -4.584 -7.855 -0.670 197 1HG MET 27 HG2 MET 27 -2.127 -8.669 -0.373 198 2HG MET 27 HG1 MET 27 -2.055 -7.383 0.828 199 1HE MET 27 HE1 MET 27 -5.346 -10.345 0.585 200 2HE MET 27 HE2 MET 27 -3.879 -11.322 0.629 201 3HE MET 27 HE3 MET 27 -4.075 -10.082 -0.609 202 H TRP 28 HN TRP 28 -1.245 -8.318 -2.536 203 HA TRP 28 HA TRP 28 -2.871 -10.355 -3.724 204 1HB TRP 28 HB2 TRP 28 -2.201 -10.191 -6.008 205 2HB TRP 28 HB1 TRP 28 -2.842 -8.632 -5.519 206 HD1 TRP 28 HD1 TRP 28 0.558 -10.335 -6.205 207 HE1 TRP 28 HE1 TRP 28 2.217 -8.517 -6.944 208 HE3 TRP 28 HE3 TRP 28 -2.398 -6.218 -5.539 209 HZ2 TRP 28 HZ2 TRP 28 2.266 -5.721 -7.194 210 HZ3 TRP 28 HZ3 TRP 28 -1.469 -4.001 -6.062 211 HH2 TRP 28 HH2 TRP 28 0.820 -3.755 -6.874 212 H CYS 29 HN CYS 29 -0.885 -11.455 -5.448 213 HA CYS 29 HA CYS 29 0.745 -12.715 -3.398 214 1HB CYS 29 HB2 CYS 29 -0.609 -13.575 -5.668 215 2HB CYS 29 HB1 CYS 29 1.095 -13.738 -6.082 216 H ASP 30 HN ASP 30 2.691 -11.854 -2.940 217 HA ASP 30 HA ASP 30 4.521 -11.494 -5.173 218 1HB ASP 30 HB2 ASP 30 3.727 -9.250 -4.767 219 2HB ASP 30 HB1 ASP 30 4.144 -9.370 -3.062 220 H ALA 31 HN ALA 31 5.265 -13.487 -4.394 221 HA ALA 31 HA ALA 31 7.142 -14.503 -3.532 222 1HB ALA 31 HB1 ALA 31 8.658 -13.350 -2.424 223 2HB ALA 31 HB2 ALA 31 7.514 -12.914 -1.157 224 3HB ALA 31 HB3 ALA 31 7.596 -11.964 -2.637 225 H PHE 32 HN PHE 32 4.294 -13.703 -1.630 226 HA PHE 32 HA PHE 32 4.961 -15.442 0.528 227 1HB PHE 32 HB2 PHE 32 2.984 -13.715 0.342 228 2HB PHE 32 HB1 PHE 32 2.113 -15.087 -0.312 229 HD1 PHE 32 HD1 PHE 32 4.719 -15.200 2.296 230 HD2 PHE 32 HD2 PHE 32 0.559 -15.456 1.416 231 HE1 PHE 32 HE1 PHE 32 4.282 -16.035 4.579 232 HE2 PHE 32 HE2 PHE 32 0.118 -16.281 3.691 233 HZ PHE 32 HZ PHE 32 1.981 -16.573 5.275 234 H CYS 33 HN CYS 33 3.339 -15.768 -2.522 235 HA CYS 33 HA CYS 33 2.870 -18.581 -2.163 236 1HB CYS 33 HB2 CYS 33 2.329 -18.339 -4.726 237 2HB CYS 33 HB1 CYS 33 1.226 -17.674 -3.529 238 H SER 34 HN SER 34 5.284 -16.456 -3.353 239 HA SER 34 HA SER 34 6.796 -18.574 -4.653 240 1HB SER 34 HB2 SER 34 6.618 -15.761 -4.989 241 2HB SER 34 HB1 SER 34 8.266 -16.120 -4.474 242 HG SER 34 HG SER 34 8.621 -16.870 -6.392 243 H SER 35 HN SER 35 7.961 -15.963 -2.517 244 HA SER 35 HA SER 35 9.097 -17.970 -0.714 245 1HB SER 35 HB2 SER 35 11.306 -16.866 -0.769 246 2HB SER 35 HB1 SER 35 10.847 -17.543 -2.332 247 HG SER 35 HG SER 35 11.506 -15.040 -1.762 248 H ARG 36 HN ARG 36 8.779 -14.413 -1.172 249 HA ARG 36 HA ARG 36 9.150 -13.981 1.648 250 1HB ARG 36 HB2 ARG 36 8.279 -11.745 -0.135 251 2HB ARG 36 HB1 ARG 36 9.339 -11.720 1.256 252 1HG ARG 36 HG2 ARG 36 11.134 -12.638 0.010 253 2HG ARG 36 HG1 ARG 36 10.082 -12.998 -1.356 254 1HD ARG 36 HD2 ARG 36 9.867 -10.751 -1.942 255 2HD ARG 36 HD1 ARG 36 10.432 -10.190 -0.368 256 HE ARG 36 HE ARG 36 12.027 -10.744 -2.635 257 1HH1 ARG 36 HH11 ARG 36 12.020 -11.073 0.840 258 2HH1 ARG 36 HH12 ARG 36 13.746 -11.032 0.971 259 1HH2 ARG 36 HH21 ARG 36 14.295 -10.688 -2.463 260 2HH2 ARG 36 HH22 ARG 36 15.038 -10.813 -0.903 261 H GLY 37 HN GLY 37 6.574 -12.101 -0.018 262 1HA GLY 37 HA2 GLY 37 4.573 -13.498 1.557 263 2HA GLY 37 HA1 GLY 37 4.935 -11.877 2.092 264 H LYS 38 HN LYS 38 2.687 -11.475 1.737 265 HA LYS 38 HA LYS 38 1.656 -11.547 -0.951 266 1HB LYS 38 HB2 LYS 38 0.612 -11.153 1.725 267 2HB LYS 38 HB1 LYS 38 -0.037 -9.956 0.615 268 1HG LYS 38 HG2 LYS 38 -1.381 -12.066 0.902 269 2HG LYS 38 HG1 LYS 38 -1.004 -11.609 -0.758 270 1HD LYS 38 HD2 LYS 38 0.661 -13.278 -0.939 271 2HD LYS 38 HD1 LYS 38 0.672 -13.559 0.803 272 1HE LYS 38 HE2 LYS 38 -1.261 -14.790 0.755 273 2HE LYS 38 HE1 LYS 38 -1.870 -13.976 -0.685 274 1HZ LYS 38 HZ1 LYS 38 -1.257 -15.860 -1.697 275 2HZ LYS 38 HZ2 LYS 38 -0.199 -16.323 -0.461 276 3HZ LYS 38 HZ3 LYS 38 0.307 -15.217 -1.636 277 H VAL 39 HN VAL 39 0.442 -9.390 -1.601 278 HA VAL 39 HA VAL 39 2.508 -7.303 -1.621 279 HB VAL 39 HB VAL 39 0.411 -8.115 -3.572 280 1HG1 VAL 39 HG11 VAL 39 0.700 -5.756 -4.586 281 2HG1 VAL 39 HG12 VAL 39 1.111 -5.266 -2.958 282 3HG1 VAL 39 HG13 VAL 39 -0.465 -5.983 -3.292 283 1HG2 VAL 39 HG21 VAL 39 2.501 -6.795 -4.831 284 2HG2 VAL 39 HG22 VAL 39 2.302 -8.536 -4.650 285 3HG2 VAL 39 HG23 VAL 39 3.263 -7.633 -3.480 286 H VAL 40 HN VAL 40 2.167 -5.303 -1.029 287 HA VAL 40 HA VAL 40 -0.460 -4.519 0.006 288 HB VAL 40 HB VAL 40 2.016 -3.605 1.414 289 1HG1 VAL 40 HG11 VAL 40 -0.111 -3.940 3.184 290 2HG1 VAL 40 HG12 VAL 40 -0.826 -3.288 1.709 291 3HG1 VAL 40 HG13 VAL 40 0.489 -2.426 2.506 292 1HG2 VAL 40 HG21 VAL 40 2.466 -5.644 2.162 293 2HG2 VAL 40 HG22 VAL 40 1.010 -6.308 1.430 294 3HG2 VAL 40 HG23 VAL 40 0.939 -5.581 3.036 295 H GLU 41 HN GLU 41 -1.064 -2.988 -1.271 296 HA GLU 41 HA GLU 41 0.746 -0.763 -1.899 297 1HB GLU 41 HB2 GLU 41 0.653 -2.143 -3.895 298 2HB GLU 41 HB1 GLU 41 -1.099 -2.247 -3.791 299 1HG GLU 41 HG2 GLU 41 -0.490 -0.734 -5.537 300 2HG GLU 41 HG1 GLU 41 -1.243 0.166 -4.220 301 H LEU 42 HN LEU 42 -0.318 0.367 -0.214 302 HA LEU 42 HA LEU 42 -3.170 0.724 -0.250 303 1HB LEU 42 HB2 LEU 42 -1.392 2.547 1.280 304 2HB LEU 42 HB1 LEU 42 -2.913 1.818 1.753 305 HG LEU 42 HG LEU 42 -0.195 0.547 1.725 306 1HD1 LEU 42 HD11 LEU 42 -0.222 0.650 3.978 307 2HD1 LEU 42 HD12 LEU 42 -1.976 0.482 4.074 308 3HD1 LEU 42 HD13 LEU 42 -1.260 2.037 3.654 309 1HD2 LEU 42 HD21 LEU 42 -1.373 -1.284 1.058 310 2HD2 LEU 42 HD22 LEU 42 -2.892 -0.685 1.725 311 3HD2 LEU 42 HD23 LEU 42 -1.672 -1.376 2.794 312 H GLY 43 HN GLY 43 -4.339 2.427 -1.029 313 1HA GLY 43 HA2 GLY 43 -3.034 4.863 -1.883 314 2HA GLY 43 HA1 GLY 43 -3.603 3.860 -3.206 315 H CYS 44 HN CYS 44 -4.764 6.046 -3.463 316 HA CYS 44 HA CYS 44 -7.311 5.971 -1.984 317 1HB CYS 44 HB2 CYS 44 -6.003 8.034 -1.620 318 2HB CYS 44 HB1 CYS 44 -6.001 8.331 -3.355 319 H ALA 45 HN ALA 45 -9.251 6.246 -3.148 320 HA ALA 45 HA ALA 45 -9.159 6.386 -6.042 321 1HB ALA 45 HB1 ALA 45 -9.767 3.887 -4.560 322 2HB ALA 45 HB2 ALA 45 -8.962 4.117 -6.113 323 3HB ALA 45 HB3 ALA 45 -10.717 4.251 -6.001 324 H ALA 46 HN ALA 46 -11.454 6.204 -6.953 325 HA ALA 46 HA ALA 46 -13.288 7.647 -5.160 326 1HB ALA 46 HB1 ALA 46 -14.143 7.898 -7.841 327 2HB ALA 46 HB2 ALA 46 -12.403 8.182 -7.826 328 3HB ALA 46 HB3 ALA 46 -13.461 9.143 -6.795 329 H THR 47 HN THR 47 -12.899 5.009 -7.416 330 HA THR 47 HA THR 47 -15.324 3.795 -6.401 331 HB THR 47 HB THR 47 -16.025 5.058 -8.408 332 HG1 THR 47 HG1 THR 47 -16.898 2.910 -7.848 333 1HG2 THR 47 HG21 THR 47 -14.651 5.192 -10.134 334 2HG2 THR 47 HG22 THR 47 -15.052 3.512 -10.496 335 3HG2 THR 47 HG23 THR 47 -13.641 3.889 -9.502 336 H CYS 48 HN CYS 48 -13.231 2.775 -5.527 337 HA CYS 48 HA CYS 48 -11.443 1.211 -6.783 338 1HB CYS 48 HB2 CYS 48 -11.557 -0.338 -4.832 339 2HB CYS 48 HB1 CYS 48 -11.493 1.363 -4.380 340 HA PRO 49 HA PRO 49 -14.263 -1.265 -9.392 341 1HB PRO 49 HB2 PRO 49 -11.575 -2.310 -10.157 342 2HB PRO 49 HB1 PRO 49 -12.929 -1.824 -11.185 343 1HG PRO 49 HG2 PRO 49 -10.806 -0.245 -10.911 344 2HG PRO 49 HG1 PRO 49 -12.442 0.437 -10.982 345 1HD PRO 49 HD2 PRO 49 -10.641 0.064 -8.632 346 2HD PRO 49 HD1 PRO 49 -11.794 1.369 -8.977 347 H SER 50 HN SER 50 -14.020 -3.751 -9.967 348 HA SER 50 HA SER 50 -14.063 -5.126 -7.434 349 1HB SER 50 HB2 SER 50 -14.428 -6.336 -10.180 350 2HB SER 50 HB1 SER 50 -14.990 -6.979 -8.637 351 HG SER 50 HG SER 50 -15.925 -4.699 -10.027 352 H LYS 51 HN LYS 51 -12.849 -6.999 -6.918 353 HA LYS 51 HA LYS 51 -10.131 -6.885 -7.944 354 1HB LYS 51 HB2 LYS 51 -9.455 -7.895 -5.981 355 2HB LYS 51 HB1 LYS 51 -10.887 -7.031 -5.444 356 1HG LYS 51 HG2 LYS 51 -10.782 -9.956 -6.158 357 2HG LYS 51 HG1 LYS 51 -10.771 -9.293 -4.524 358 1HD LYS 51 HD2 LYS 51 -12.984 -8.911 -6.540 359 2HD LYS 51 HD1 LYS 51 -13.006 -10.075 -5.214 360 1HE LYS 51 HE2 LYS 51 -12.813 -8.234 -3.606 361 2HE LYS 51 HE1 LYS 51 -12.815 -7.077 -4.936 362 1HZ LYS 51 HZ1 LYS 51 -15.022 -7.294 -5.238 363 2HZ LYS 51 HZ2 LYS 51 -15.005 -7.800 -3.625 364 3HZ LYS 51 HZ3 LYS 51 -15.040 -8.945 -4.869 365 H LYS 52 HN LYS 52 -8.986 -8.695 -8.721 366 HA LYS 52 HA LYS 52 -10.541 -10.449 -10.355 367 1HB LYS 52 HB2 LYS 52 -8.542 -11.059 -11.347 368 2HB LYS 52 HB1 LYS 52 -8.136 -9.468 -10.729 369 1HG LYS 52 HG2 LYS 52 -7.035 -10.476 -8.806 370 2HG LYS 52 HG1 LYS 52 -7.473 -12.084 -9.387 371 1HD LYS 52 HD2 LYS 52 -6.240 -11.284 -11.564 372 2HD LYS 52 HD1 LYS 52 -5.457 -10.161 -10.452 373 1HE LYS 52 HE2 LYS 52 -4.693 -12.005 -9.078 374 2HE LYS 52 HE1 LYS 52 -5.549 -13.155 -10.104 375 1HZ LYS 52 HZ1 LYS 52 -4.052 -11.971 -11.923 376 2HZ LYS 52 HZ2 LYS 52 -3.511 -13.306 -11.037 377 3HZ LYS 52 HZ3 LYS 52 -3.043 -11.746 -10.582 378 HA PRO 53 HA PRO 53 -10.940 -13.957 -7.721 379 1HB PRO 53 HB2 PRO 53 -10.312 -16.082 -9.290 380 2HB PRO 53 HB1 PRO 53 -11.802 -15.150 -9.481 381 1HG PRO 53 HG2 PRO 53 -9.251 -14.985 -11.035 382 2HG PRO 53 HG1 PRO 53 -10.924 -14.938 -11.620 383 1HD PRO 53 HD2 PRO 53 -9.408 -12.709 -11.309 384 2HD PRO 53 HD1 PRO 53 -11.172 -12.707 -11.110 385 H TYR 54 HN TYR 54 -8.665 -12.781 -6.965 386 HA TYR 54 HA TYR 54 -7.151 -14.837 -5.836 387 1HB TYR 54 HB2 TYR 54 -6.373 -14.952 -8.279 388 2HB TYR 54 HB1 TYR 54 -5.567 -13.417 -7.970 389 HD1 TYR 54 HD1 TYR 54 -5.189 -16.906 -7.931 390 HD2 TYR 54 HD2 TYR 54 -4.032 -13.398 -5.820 391 HE1 TYR 54 HE1 TYR 54 -3.266 -18.116 -6.989 392 HE2 TYR 54 HE2 TYR 54 -2.104 -14.599 -4.872 393 HH TYR 54 HH TYR 54 -1.773 -17.601 -4.573 394 H GLU 55 HN GLU 55 -7.025 -11.501 -7.029 395 HA GLU 55 HA GLU 55 -5.289 -10.649 -4.887 396 1HB GLU 55 HB2 GLU 55 -6.817 -9.039 -6.937 397 2HB GLU 55 HB1 GLU 55 -5.596 -8.402 -5.845 398 1HG GLU 55 HG2 GLU 55 -3.975 -10.011 -6.891 399 2HG GLU 55 HG1 GLU 55 -5.213 -10.347 -8.101 400 H GLU 56 HN GLU 56 -5.843 -9.100 -3.284 401 HA GLU 56 HA GLU 56 -8.712 -9.028 -2.625 402 1HB GLU 56 HB2 GLU 56 -7.074 -10.518 -1.207 403 2HB GLU 56 HB1 GLU 56 -6.628 -8.981 -0.479 404 1HG GLU 56 HG2 GLU 56 -8.280 -9.518 0.948 405 2HG GLU 56 HG1 GLU 56 -9.285 -8.778 -0.300 406 H VAL 57 HN VAL 57 -9.243 -6.993 -3.186 407 HA VAL 57 HA VAL 57 -7.574 -4.807 -2.138 408 HB VAL 57 HB VAL 57 -7.684 -4.687 -4.534 409 1HG1 VAL 57 HG11 VAL 57 -9.418 -5.676 -5.521 410 2HG1 VAL 57 HG12 VAL 57 -10.282 -4.160 -5.263 411 3HG1 VAL 57 HG13 VAL 57 -10.450 -5.479 -4.105 412 1HG2 VAL 57 HG21 VAL 57 -7.756 -2.554 -3.399 413 2HG2 VAL 57 HG22 VAL 57 -9.511 -2.651 -3.262 414 3HG2 VAL 57 HG23 VAL 57 -8.757 -2.483 -4.848 415 H THR 58 HN THR 58 -8.382 -3.663 -0.517 416 HA THR 58 HA THR 58 -11.194 -4.003 0.181 417 HB THR 58 HB THR 58 -9.346 -2.361 1.844 418 HG1 THR 58 HG1 THR 58 -9.252 -5.191 1.810 419 1HG2 THR 58 HG21 THR 58 -11.327 -2.572 2.956 420 2HG2 THR 58 HG22 THR 58 -10.451 -3.968 3.585 421 3HG2 THR 58 HG23 THR 58 -11.648 -4.180 2.308 422 H CYS 59 HN CYS 59 -12.290 -2.015 1.136 423 HA CYS 59 HA CYS 59 -11.596 0.461 -0.250 424 1HB CYS 59 HB2 CYS 59 -14.329 -0.827 -0.433 425 2HB CYS 59 HB1 CYS 59 -13.898 0.760 -1.062 426 H CYS 60 HN CYS 60 -11.488 1.947 1.286 427 HA CYS 60 HA CYS 60 -13.626 2.111 3.276 428 1HB CYS 60 HB2 CYS 60 -12.100 2.313 5.121 429 2HB CYS 60 HB1 CYS 60 -11.700 0.836 4.251 430 H SER 61 HN SER 61 -14.332 4.164 3.507 431 HA SER 61 HA SER 61 -12.704 6.239 2.227 432 1HB SER 61 HB2 SER 61 -15.095 7.442 2.464 433 2HB SER 61 HB1 SER 61 -14.678 6.397 1.107 434 HG SER 61 HG SER 61 -16.000 5.548 3.471 435 H THR 62 HN THR 62 -11.574 6.050 4.551 436 HA THR 62 HA THR 62 -12.575 8.333 6.061 437 HB THR 62 HB THR 62 -11.983 7.010 8.195 438 HG1 THR 62 HG1 THR 62 -11.706 4.945 7.993 439 1HG2 THR 62 HG21 THR 62 -14.327 7.663 7.252 440 2HG2 THR 62 HG22 THR 62 -14.177 6.524 8.591 441 3HG2 THR 62 HG23 THR 62 -14.455 5.929 6.954 442 H ASP 63 HN ASP 63 -10.969 9.373 7.366 443 HA ASP 63 HA ASP 63 -8.566 9.858 6.282 444 1HB ASP 63 HB2 ASP 63 -9.218 9.798 9.232 445 2HB ASP 63 HB1 ASP 63 -7.779 10.550 8.552 446 H LYS 64 HN LYS 64 -6.719 8.893 5.976 447 HA LYS 64 HA LYS 64 -5.378 7.010 5.704 448 1HB LYS 64 HB2 LYS 64 -4.476 6.729 8.338 449 2HB LYS 64 HB1 LYS 64 -3.780 7.736 7.079 450 1HG LYS 64 HG2 LYS 64 -4.065 9.164 8.897 451 2HG LYS 64 HG1 LYS 64 -5.425 9.528 7.835 452 1HD LYS 64 HD2 LYS 64 -6.777 9.161 9.564 453 2HD LYS 64 HD1 LYS 64 -6.314 7.460 9.492 454 1HE LYS 64 HE2 LYS 64 -4.923 7.625 11.270 455 2HE LYS 64 HE1 LYS 64 -4.438 9.272 10.872 456 1HZ LYS 64 HZ1 LYS 64 -6.051 8.628 12.905 457 2HZ LYS 64 HZ2 LYS 64 -7.193 8.974 11.707 458 3HZ LYS 64 HZ3 LYS 64 -6.048 10.140 12.145 459 H CYS 65 HN CYS 65 -7.798 5.931 5.717 460 HA CYS 65 HA CYS 65 -7.996 3.942 7.809 461 1HB CYS 65 HB2 CYS 65 -10.127 3.380 6.883 462 2HB CYS 65 HB1 CYS 65 -9.993 5.133 6.980 463 H ASN 66 HN ASN 66 -6.170 4.071 5.078 464 HA ASN 66 HA ASN 66 -6.552 1.203 4.531 465 1HB ASN 66 HB2 ASN 66 -5.318 1.693 2.372 466 2HB ASN 66 HB1 ASN 66 -6.930 2.383 2.508 467 1HD2 ASN 66 HD21 ASN 66 -4.191 3.040 1.175 468 2HD2 ASN 66 HD22 ASN 66 -4.055 4.742 1.431 469 HA PRO 67 HA PRO 67 -2.333 1.532 6.370 470 1HB PRO 67 HB2 PRO 67 -2.690 0.273 8.661 471 2HB PRO 67 HB1 PRO 67 -3.360 1.901 8.454 472 1HG PRO 67 HG2 PRO 67 -4.753 -0.749 8.239 473 2HG PRO 67 HG1 PRO 67 -5.269 0.714 9.098 474 1HD PRO 67 HD2 PRO 67 -6.099 0.014 6.552 475 2HD PRO 67 HD1 PRO 67 -6.110 1.663 7.205 476 H HIS 68 HN HIS 68 -1.394 -0.735 7.718 477 HA HIS 68 HA HIS 68 -1.337 -2.624 5.522 478 1HB HIS 68 HB2 HIS 68 0.386 -2.003 7.785 479 2HB HIS 68 HB1 HIS 68 0.189 -3.739 7.545 480 HD1 HIS 68 HD1 HIS 68 1.409 -4.790 5.581 481 HD2 HIS 68 HD2 HIS 68 1.473 -0.633 5.512 482 HE1 HIS 68 HE1 HIS 68 2.949 -4.159 3.704 483 HE2 HIS 68 HE2 HIS 68 2.774 -1.656 3.555 484 HA PRO 69 HA PRO 69 -4.230 -5.513 7.140 485 1HB PRO 69 HB2 PRO 69 -3.319 -7.805 6.013 486 2HB PRO 69 HB1 PRO 69 -4.140 -6.542 5.090 487 1HG PRO 69 HG2 PRO 69 -1.217 -7.114 5.334 488 2HG PRO 69 HG1 PRO 69 -2.155 -6.673 3.899 489 1HD PRO 69 HD2 PRO 69 -0.634 -4.894 5.279 490 2HD PRO 69 HD1 PRO 69 -2.106 -4.433 4.402 491 H LYS 70 HN LYS 70 -0.918 -6.857 7.192 492 HA LYS 70 HA LYS 70 -1.476 -8.468 9.497 493 1HB LYS 70 HB2 LYS 70 0.119 -9.384 8.037 494 2HB LYS 70 HB1 LYS 70 0.989 -7.867 7.886 495 1HG LYS 70 HG2 LYS 70 1.721 -8.103 10.241 496 2HG LYS 70 HG1 LYS 70 0.938 -9.684 10.286 497 1HD LYS 70 HD2 LYS 70 3.368 -9.822 9.845 498 2HD LYS 70 HD1 LYS 70 2.391 -10.497 8.539 499 1HE LYS 70 HE2 LYS 70 4.333 -9.033 7.834 500 2HE LYS 70 HE1 LYS 70 2.761 -8.619 7.156 501 1HZ LYS 70 HZ1 LYS 70 2.708 -6.673 8.238 502 2HZ LYS 70 HZ2 LYS 70 4.387 -6.858 8.315 503 3HZ LYS 70 HZ3 LYS 70 3.428 -7.287 9.640 504 H GLN 71 HN GLN 71 0.170 -5.437 8.848 505 HA GLN 71 HA GLN 71 1.003 -5.100 11.594 506 1HB GLN 71 HB2 GLN 71 1.043 -2.824 9.676 507 2HB GLN 71 HB1 GLN 71 2.232 -3.289 10.886 508 1HG GLN 71 HG2 GLN 71 2.933 -5.154 9.481 509 2HG GLN 71 HG1 GLN 71 1.736 -4.689 8.274 510 1HE2 GLN 71 HE21 GLN 71 3.400 -4.449 6.736 511 2HE2 GLN 71 HE22 GLN 71 4.431 -3.063 6.739 512 H ARG 72 HN ARG 72 -1.891 -4.898 10.228 513 HA ARG 72 HA ARG 72 -2.977 -2.438 10.927 514 1HB ARG 72 HB2 ARG 72 -4.449 -3.639 9.656 515 2HB ARG 72 HB1 ARG 72 -4.035 -5.163 10.416 516 1HG ARG 72 HG2 ARG 72 -6.189 -4.881 11.111 517 2HG ARG 72 HG1 ARG 72 -5.316 -4.159 12.458 518 1HD ARG 72 HD2 ARG 72 -6.089 -2.409 10.183 519 2HD ARG 72 HD1 ARG 72 -7.355 -2.935 11.292 520 HE ARG 72 HE ARG 72 -5.041 -1.845 12.606 521 1HH1 ARG 72 HH11 ARG 72 -8.105 -1.094 11.111 522 2HH1 ARG 72 HH12 ARG 72 -8.299 0.398 11.968 523 1HH2 ARG 72 HH21 ARG 72 -5.296 0.120 13.733 524 2HH2 ARG 72 HH22 ARG 72 -6.706 1.087 13.455 525 HA PRO 73 HA PRO 73 -4.084 -4.101 15.268 526 1HB PRO 73 HB2 PRO 73 -3.506 -6.624 15.971 527 2HB PRO 73 HB1 PRO 73 -4.944 -6.238 15.017 528 1HG PRO 73 HG2 PRO 73 -2.295 -7.299 14.105 529 2HG PRO 73 HG1 PRO 73 -3.926 -7.800 13.620 530 1HD PRO 73 HD2 PRO 73 -2.362 -6.111 12.143 531 2HD PRO 73 HD1 PRO 73 -4.135 -6.090 12.111 532 H GLY 74 HN GLY 74 -1.756 -2.842 14.651 533 1HA GLY 74 HA2 GLY 74 0.435 -4.151 16.052 534 2HA GLY 74 HA1 GLY 74 0.514 -2.624 15.186 535 1H GLU 180 HT1 GLU 180 20.933 11.906 0.912 536 2H GLU 180 HT2 GLU 180 19.982 13.330 0.787 537 3H GLU 180 HT3 GLU 180 21.331 13.102 -0.250 538 HA GLU 180 HA GLU 180 20.306 11.451 -1.440 539 1HB GLU 180 HB2 GLU 180 18.031 10.606 -0.658 540 2HB GLU 180 HB1 GLU 180 19.424 10.094 0.285 541 1HG GLU 180 HG2 GLU 180 17.806 10.657 1.865 542 2HG GLU 180 HG1 GLU 180 18.896 12.041 1.832 543 H GLU 181 HN GLU 181 19.019 11.962 -3.168 544 HA GLU 181 HA GLU 181 17.983 14.650 -3.242 545 1HB GLU 181 HB2 GLU 181 18.918 12.746 -5.143 546 2HB GLU 181 HB1 GLU 181 17.279 13.193 -5.594 547 1HG GLU 181 HG2 GLU 181 19.144 15.380 -4.884 548 2HG GLU 181 HG1 GLU 181 19.403 14.544 -6.415 549 H ARG 182 HN ARG 182 15.830 15.225 -3.831 550 HA ARG 182 HA ARG 182 13.850 13.757 -2.432 551 1HB ARG 182 HB2 ARG 182 13.425 15.963 -4.453 552 2HB ARG 182 HB1 ARG 182 12.296 15.443 -3.209 553 1HG ARG 182 HG2 ARG 182 14.872 16.202 -2.109 554 2HG ARG 182 HG1 ARG 182 14.113 17.509 -3.019 555 1HD ARG 182 HD2 ARG 182 13.535 17.447 -0.584 556 2HD ARG 182 HD1 ARG 182 12.151 17.411 -1.675 557 HE ARG 182 HE ARG 182 13.072 14.812 -0.837 558 1HH1 ARG 182 HH11 ARG 182 10.967 17.497 -0.097 559 2HH1 ARG 182 HH12 ARG 182 9.891 16.548 0.870 560 1HH2 ARG 182 HH21 ARG 182 11.657 13.563 0.434 561 2HH2 ARG 182 HH22 ARG 182 10.282 14.315 1.173 562 H GLY 183 HN GLY 183 12.931 11.937 -3.092 563 1HA GLY 183 HA2 GLY 183 12.713 11.404 -5.975 564 2HA GLY 183 HA1 GLY 183 12.604 10.200 -4.697 565 H TRP 184 HN TRP 184 10.663 9.752 -6.255 566 HA TRP 184 HA TRP 184 8.400 11.441 -5.506 567 1HB TRP 184 HB2 TRP 184 7.188 10.026 -7.292 568 2HB TRP 184 HB1 TRP 184 8.350 11.235 -7.800 569 HD1 TRP 184 HD1 TRP 184 8.771 10.046 -10.096 570 HE1 TRP 184 HE1 TRP 184 10.097 7.955 -10.775 571 HE3 TRP 184 HE3 TRP 184 9.412 7.909 -5.458 572 HZ2 TRP 184 HZ2 TRP 184 11.251 5.713 -9.545 573 HZ3 TRP 184 HZ3 TRP 184 10.636 5.793 -5.337 574 HH2 TRP 184 HH2 TRP 184 11.538 4.716 -7.323 575 H LYS 185 HN LYS 185 7.106 8.487 -6.389 576 HA LYS 185 HA LYS 185 7.162 7.456 -3.655 577 1HB LYS 185 HB2 LYS 185 4.936 8.790 -4.950 578 2HB LYS 185 HB1 LYS 185 4.504 7.184 -4.410 579 1HG LYS 185 HG2 LYS 185 5.332 7.770 -2.153 580 2HG LYS 185 HG1 LYS 185 5.603 9.416 -2.729 581 1HD LYS 185 HD2 LYS 185 2.954 8.062 -3.005 582 2HD LYS 185 HD1 LYS 185 3.411 8.885 -1.514 583 1HE LYS 185 HE2 LYS 185 2.557 10.720 -2.480 584 2HE LYS 185 HE1 LYS 185 4.044 10.740 -3.428 585 1HZ LYS 185 HZ1 LYS 185 1.838 9.088 -4.401 586 2HZ LYS 185 HZ2 LYS 185 2.992 9.968 -5.268 587 3HZ LYS 185 HZ3 LYS 185 1.681 10.765 -4.557 588 H HIS 186 HN HIS 186 8.050 5.467 -4.031 589 HA HIS 186 HA HIS 186 6.489 3.629 -5.699 590 1HB HIS 186 HB2 HIS 186 8.462 4.508 -7.025 591 2HB HIS 186 HB1 HIS 186 9.507 3.715 -5.850 592 HD1 HIS 186 HD1 HIS 186 6.474 1.811 -6.635 593 HD2 HIS 186 HD2 HIS 186 10.343 2.121 -8.115 594 HE1 HIS 186 HE1 HIS 186 6.804 -0.218 -8.083 595 HE2 HIS 186 HE2 HIS 186 9.119 0.042 -9.044 596 H TRP 187 HN TRP 187 5.737 2.507 -3.871 597 HA TRP 187 HA TRP 187 7.800 1.375 -2.092 598 1HB TRP 187 HB2 TRP 187 5.181 2.474 -1.594 599 2HB TRP 187 HB1 TRP 187 5.294 0.849 -0.962 600 HD1 TRP 187 HD1 TRP 187 6.213 4.361 -0.174 601 HE1 TRP 187 HE1 TRP 187 7.578 4.476 1.974 602 HE3 TRP 187 HE3 TRP 187 7.198 -0.616 0.411 603 HZ2 TRP 187 HZ2 TRP 187 8.900 2.700 3.712 604 HZ3 TRP 187 HZ3 TRP 187 8.530 -1.314 2.345 605 HH2 TRP 187 HH2 TRP 187 9.357 0.305 3.972 606 H VAL 188 HN VAL 188 7.584 -0.705 -1.305 607 HA VAL 188 HA VAL 188 5.913 -2.580 -2.795 608 HB VAL 188 HB VAL 188 8.677 -3.470 -2.105 609 1HG1 VAL 188 HG11 VAL 188 6.444 -4.408 -3.640 610 2HG1 VAL 188 HG12 VAL 188 7.902 -5.265 -3.136 611 3HG1 VAL 188 HG13 VAL 188 7.893 -4.348 -4.643 612 1HG2 VAL 188 HG21 VAL 188 9.624 -2.682 -4.181 613 2HG2 VAL 188 HG22 VAL 188 9.015 -1.306 -3.261 614 3HG2 VAL 188 HG23 VAL 188 8.095 -1.928 -4.632 615 H TYR 189 HN TYR 189 4.637 -2.493 -0.827 616 HA TYR 189 HA TYR 189 5.965 -3.551 1.569 617 1HB TYR 189 HB2 TYR 189 3.559 -1.915 1.026 618 2HB TYR 189 HB1 TYR 189 3.481 -3.012 2.389 619 HD1 TYR 189 HD1 TYR 189 3.892 0.216 1.689 620 HD2 TYR 189 HD2 TYR 189 5.989 -2.863 3.717 621 HE1 TYR 189 HE1 TYR 189 4.946 1.902 3.098 622 HE2 TYR 189 HE2 TYR 189 7.087 -1.180 5.139 623 HH TYR 189 HH TYR 189 7.569 1.109 5.255 624 H TYR 190 HN TYR 190 5.748 -5.624 2.130 625 HA TYR 190 HA TYR 190 3.613 -7.166 0.817 626 1HB TYR 190 HB2 TYR 190 6.192 -8.172 2.028 627 2HB TYR 190 HB1 TYR 190 4.982 -9.164 1.235 628 HD1 TYR 190 HD1 TYR 190 7.615 -9.492 0.319 629 HD2 TYR 190 HD2 TYR 190 4.857 -6.444 -0.757 630 HE1 TYR 190 HE1 TYR 190 8.790 -9.205 -1.816 631 HE2 TYR 190 HE2 TYR 190 6.019 -6.137 -2.890 632 HH TYR 190 HH TYR 190 9.077 -7.425 -3.529 633 H THR 191 HN THR 191 2.232 -8.439 1.999 634 HA THR 191 HA THR 191 2.114 -7.878 4.847 635 HB THR 191 HB THR 191 -0.066 -8.590 4.816 636 HG1 THR 191 HG1 THR 191 -0.807 -10.304 3.529 637 1HG2 THR 191 HG21 THR 191 -0.281 -6.967 3.153 638 2HG2 THR 191 HG22 THR 191 -1.150 -8.372 2.544 639 3HG2 THR 191 HG23 THR 191 0.456 -7.999 1.929 640 H CYS 192 HN CYS 192 1.576 -9.862 6.257 641 HA CYS 192 HA CYS 192 2.008 -12.075 6.939 642 1HB CYS 192 HB2 CYS 192 2.355 -13.479 5.189 643 2HB CYS 192 HB1 CYS 192 3.081 -12.222 4.204 644 H CYS 193 HN CYS 193 4.751 -10.639 5.390 645 HA CYS 193 HA CYS 193 6.410 -11.288 7.702 646 1HB CYS 193 HB2 CYS 193 7.789 -10.756 5.205 647 2HB CYS 193 HB1 CYS 193 7.778 -12.221 6.187 648 HA PRO 194 HA PRO 194 6.339 -6.758 8.276 649 1HB PRO 194 HB2 PRO 194 8.036 -7.880 10.470 650 2HB PRO 194 HB1 PRO 194 6.819 -6.599 10.547 651 1HG PRO 194 HG2 PRO 194 6.219 -9.000 11.436 652 2HG PRO 194 HG1 PRO 194 5.046 -8.131 10.425 653 1HD PRO 194 HD2 PRO 194 6.885 -10.372 9.694 654 2HD PRO 194 HD1 PRO 194 5.209 -10.079 9.188 655 H ASP 195 HN ASP 195 8.926 -9.085 8.005 656 HA ASP 195 HA ASP 195 10.984 -7.066 7.758 657 1HB ASP 195 HB2 ASP 195 10.962 -10.071 7.680 658 2HB ASP 195 HB1 ASP 195 12.387 -9.163 7.185 659 H THR 196 HN THR 196 8.856 -6.949 5.806 660 HA THR 196 HA THR 196 10.402 -7.524 3.367 661 HB THR 196 HB THR 196 8.170 -7.622 2.199 662 HG1 THR 196 HG1 THR 196 7.277 -7.556 4.873 663 1HG2 THR 196 HG21 THR 196 8.893 -9.751 2.383 664 2HG2 THR 196 HG22 THR 196 7.495 -9.854 3.454 665 3HG2 THR 196 HG23 THR 196 9.111 -9.648 4.129 666 HA PRO 197 HA PRO 197 9.098 -2.967 3.658 667 1HB PRO 197 HB2 PRO 197 11.270 -1.775 4.672 668 2HB PRO 197 HB1 PRO 197 10.045 -2.494 5.725 669 1HG PRO 197 HG2 PRO 197 12.683 -3.616 4.853 670 2HG PRO 197 HG1 PRO 197 11.952 -3.609 6.470 671 1HD PRO 197 HD2 PRO 197 11.867 -5.763 4.790 672 2HD PRO 197 HD1 PRO 197 10.626 -5.422 6.013 673 H TYR 198 HN TYR 198 9.387 -3.697 1.337 674 HA TYR 198 HA TYR 198 11.996 -2.903 0.241 675 1HB TYR 198 HB2 TYR 198 9.708 -4.196 -1.247 676 2HB TYR 198 HB1 TYR 198 11.402 -4.126 -1.724 677 HD1 TYR 198 HD1 TYR 198 13.050 -5.227 -0.008 678 HD2 TYR 198 HD2 TYR 198 8.910 -6.117 -0.298 679 HE1 TYR 198 HE1 TYR 198 13.435 -7.366 1.106 680 HE2 TYR 198 HE2 TYR 198 9.283 -8.256 0.819 681 HH TYR 198 HH TYR 198 10.806 -9.694 1.622 682 H LEU 199 HN LEU 199 12.074 -0.770 -0.015 683 HA LEU 199 HA LEU 199 9.783 0.543 -1.317 684 1HB LEU 199 HB2 LEU 199 9.888 1.122 1.002 685 2HB LEU 199 HB1 LEU 199 11.579 1.543 0.870 686 HG LEU 199 HG LEU 199 9.595 3.326 0.882 687 1HD1 LEU 199 HD11 LEU 199 11.701 4.174 1.133 688 2HD1 LEU 199 HD12 LEU 199 11.288 4.787 -0.468 689 3HD1 LEU 199 HD13 LEU 199 12.314 3.361 -0.306 690 1HD2 LEU 199 HD21 LEU 199 10.138 3.624 -1.953 691 2HD2 LEU 199 HD22 LEU 199 8.629 3.802 -1.068 692 3HD2 LEU 199 HD23 LEU 199 9.165 2.212 -1.573 693 H ASP 200 HN ASP 200 10.136 1.718 -3.052 694 HA ASP 200 HA ASP 200 12.897 2.291 -3.865 695 1HB ASP 200 HB2 ASP 200 10.518 1.390 -5.303 696 2HB ASP 200 HB1 ASP 200 11.273 2.787 -6.063 697 H ILE 201 HN ILE 201 13.562 4.330 -3.857 698 HA ILE 201 HA ILE 201 11.563 6.493 -3.902 699 HB ILE 201 HB ILE 201 13.845 7.442 -2.513 700 1HG1 ILE 201 HG12 ILE 201 13.463 5.878 -0.442 701 2HG1 ILE 201 HG11 ILE 201 12.959 4.708 -1.654 702 1HG2 ILE 201 HG21 ILE 201 11.995 7.350 -0.606 703 2HG2 ILE 201 HG22 ILE 201 10.961 7.039 -2.000 704 3HG2 ILE 201 HG23 ILE 201 11.933 8.508 -1.935 705 1HD1 ILE 201 HD11 ILE 201 15.116 4.854 -2.732 706 2HD1 ILE 201 HD12 ILE 201 15.313 4.468 -1.023 707 3HD1 ILE 201 HD13 ILE 201 15.621 6.106 -1.598 708 H THR 202 HN THR 202 15.107 6.563 -3.780 709 HA THR 202 HA THR 202 15.175 8.446 -5.950 710 HB THR 202 HB THR 202 16.799 8.919 -4.356 711 HG1 THR 202 HG1 THR 202 18.241 9.134 -5.835 712 1HG2 THR 202 HG21 THR 202 17.508 7.431 -2.891 713 2HG2 THR 202 HG22 THR 202 18.508 6.703 -4.147 714 3HG2 THR 202 HG23 THR 202 16.872 6.110 -3.868 715 H GLU 203 HN GLU 203 16.820 5.293 -5.522 716 HA GLU 203 HA GLU 203 16.017 4.325 -8.058 717 1HB GLU 203 HB2 GLU 203 18.352 4.289 -9.052 718 2HB GLU 203 HB1 GLU 203 17.539 5.848 -9.041 719 1HG GLU 203 HG2 GLU 203 18.830 6.071 -6.735 720 2HG GLU 203 HG1 GLU 203 19.912 4.930 -7.531 721 H GLU 204 HN GLU 204 18.734 4.185 -5.756 722 HA GLU 204 HA GLU 204 18.241 1.305 -5.477 723 1HB GLU 204 HB2 GLU 204 20.715 0.953 -5.359 724 2HB GLU 204 HB1 GLU 204 20.130 1.430 -6.947 725 1HG GLU 204 HG2 GLU 204 20.724 3.841 -5.838 726 2HG GLU 204 HG1 GLU 204 21.952 2.801 -5.117 Start of MODEL 19 1 1H ILE 1 HT1 ILE 1 -11.373 13.272 1.940 2 2H ILE 1 HT2 ILE 1 -10.458 14.424 2.824 3 3H ILE 1 HT3 ILE 1 -12.113 14.169 3.201 4 HA ILE 1 HA ILE 1 -11.024 13.056 4.836 5 HB ILE 1 HB ILE 1 -11.287 10.836 2.834 6 1HG1 ILE 1 HG12 ILE 1 -13.559 12.321 4.178 7 2HG1 ILE 1 HG11 ILE 1 -13.180 12.384 2.460 8 1HG2 ILE 1 HG21 ILE 1 -11.400 11.139 5.759 9 2HG2 ILE 1 HG22 ILE 1 -10.872 9.774 4.775 10 3HG2 ILE 1 HG23 ILE 1 -12.591 10.048 5.054 11 1HD1 ILE 1 HD11 ILE 1 -13.544 9.677 3.470 12 2HD1 ILE 1 HD12 ILE 1 -14.238 10.466 2.053 13 3HD1 ILE 1 HD13 ILE 1 -14.971 10.699 3.640 14 H VAL 2 HN VAL 2 -9.493 11.241 5.376 15 HA VAL 2 HA VAL 2 -6.894 11.852 4.187 16 HB VAL 2 HB VAL 2 -7.706 10.452 6.752 17 1HG1 VAL 2 HG11 VAL 2 -5.255 10.776 7.339 18 2HG1 VAL 2 HG12 VAL 2 -4.977 11.086 5.627 19 3HG1 VAL 2 HG13 VAL 2 -5.606 9.523 6.148 20 1HG2 VAL 2 HG21 VAL 2 -7.057 13.246 6.035 21 2HG2 VAL 2 HG22 VAL 2 -6.366 12.643 7.541 22 3HG2 VAL 2 HG23 VAL 2 -8.112 12.607 7.296 23 H CYS 3 HN CYS 3 -5.315 9.955 4.032 24 HA CYS 3 HA CYS 3 -6.427 7.329 3.828 25 1HB CYS 3 HB2 CYS 3 -7.183 8.590 1.723 26 2HB CYS 3 HB1 CYS 3 -5.498 8.513 1.221 27 H HIS 4 HN HIS 4 -4.930 5.689 3.281 28 HA HIS 4 HA HIS 4 -2.130 6.436 3.795 29 1HB HIS 4 HB2 HIS 4 -3.749 3.952 4.242 30 2HB HIS 4 HB1 HIS 4 -2.017 3.796 3.993 31 HD1 HIS 4 HD1 HIS 4 -4.388 5.687 6.272 32 HD2 HIS 4 HD2 HIS 4 -0.601 3.995 6.288 33 HE1 HIS 4 HE1 HIS 4 -3.531 5.972 8.625 34 HE2 HIS 4 HE2 HIS 4 -1.267 4.875 8.624 35 H THR 5 HN THR 5 -0.529 4.960 2.669 36 HA THR 5 HA THR 5 -1.195 3.689 0.254 37 HB THR 5 HB THR 5 -1.566 5.659 -0.883 38 HG1 THR 5 HG1 THR 5 0.257 6.043 -2.140 39 1HG2 THR 5 HG21 THR 5 -0.285 7.724 -0.625 40 2HG2 THR 5 HG22 THR 5 0.640 6.968 0.669 41 3HG2 THR 5 HG23 THR 5 -1.087 7.242 0.870 42 H THR 6 HN THR 6 0.808 3.144 -1.013 43 HA THR 6 HA THR 6 3.119 2.934 0.758 44 HB THR 6 HB THR 6 3.455 0.746 -0.074 45 HG1 THR 6 HG1 THR 6 2.972 0.547 -2.112 46 1HG2 THR 6 HG21 THR 6 1.299 -0.412 0.351 47 2HG2 THR 6 HG22 THR 6 0.557 1.183 0.486 48 3HG2 THR 6 HG23 THR 6 1.815 0.699 1.616 49 H ALA 7 HN ALA 7 4.469 4.504 -0.138 50 HA ALA 7 HA ALA 7 5.435 3.933 -2.783 51 1HB ALA 7 HB1 ALA 7 3.277 5.302 -2.958 52 2HB ALA 7 HB2 ALA 7 4.661 5.742 -3.953 53 3HB ALA 7 HB3 ALA 7 4.295 6.660 -2.494 54 H THR 8 HN THR 8 5.568 6.467 -0.218 55 HA THR 8 HA THR 8 8.168 7.264 -1.186 56 HB THR 8 HB THR 8 6.906 9.016 -0.304 57 HG1 THR 8 HG1 THR 8 8.836 9.541 0.387 58 1HG2 THR 8 HG21 THR 8 5.443 8.854 1.330 59 2HG2 THR 8 HG22 THR 8 6.706 8.420 2.476 60 3HG2 THR 8 HG23 THR 8 5.897 7.163 1.537 61 H SER 9 HN SER 9 9.143 7.663 1.758 62 HA SER 9 HA SER 9 10.813 5.371 1.710 63 1HB SER 9 HB2 SER 9 10.585 6.974 4.223 64 2HB SER 9 HB1 SER 9 12.017 6.342 3.419 65 HG SER 9 HG SER 9 11.279 8.769 3.334 66 HA PRO 10 HA PRO 10 7.947 3.624 4.976 67 1HB PRO 10 HB2 PRO 10 6.614 5.216 6.664 68 2HB PRO 10 HB1 PRO 10 8.371 5.068 6.789 69 1HG PRO 10 HG2 PRO 10 6.763 7.348 5.881 70 2HG PRO 10 HG1 PRO 10 8.460 7.307 6.387 71 1HD PRO 10 HD2 PRO 10 7.322 7.180 3.688 72 2HD PRO 10 HD1 PRO 10 8.996 7.497 4.177 73 H ILE 11 HN ILE 11 5.339 3.833 5.768 74 HA ILE 11 HA ILE 11 3.876 3.723 3.345 75 HB ILE 11 HB ILE 11 3.069 3.766 6.236 76 1HG1 ILE 11 HG12 ILE 11 3.896 1.714 4.906 77 2HG1 ILE 11 HG11 ILE 11 2.461 1.541 5.908 78 1HG2 ILE 11 HG21 ILE 11 1.367 4.472 3.949 79 2HG2 ILE 11 HG22 ILE 11 1.171 4.833 5.663 80 3HG2 ILE 11 HG23 ILE 11 0.705 3.252 5.035 81 1HD1 ILE 11 HD11 ILE 11 2.449 2.020 2.939 82 2HD1 ILE 11 HD12 ILE 11 1.043 1.738 3.966 83 3HD1 ILE 11 HD13 ILE 11 2.231 0.457 3.725 84 H SER 12 HN SER 12 2.722 5.330 2.273 85 HA SER 12 HA SER 12 3.167 8.044 3.257 86 1HB SER 12 HB2 SER 12 2.157 8.455 0.805 87 2HB SER 12 HB1 SER 12 3.856 8.075 1.064 88 HG SER 12 HG SER 12 3.562 6.302 0.001 89 H ALA 13 HN ALA 13 1.536 9.567 3.452 90 HA ALA 13 HA ALA 13 -1.214 8.505 3.464 91 1HB ALA 13 HB1 ALA 13 -0.409 10.648 5.374 92 2HB ALA 13 HB2 ALA 13 0.016 8.975 5.734 93 3HB ALA 13 HB3 ALA 13 -1.675 9.428 5.518 94 H VAL 14 HN VAL 14 -2.518 9.557 2.119 95 HA VAL 14 HA VAL 14 -1.935 12.385 1.535 96 HB VAL 14 HB VAL 14 -2.765 12.016 -0.765 97 1HG1 VAL 14 HG11 VAL 14 -0.745 10.311 -1.301 98 2HG1 VAL 14 HG12 VAL 14 -0.313 10.812 0.334 99 3HG1 VAL 14 HG13 VAL 14 -0.518 12.021 -0.933 100 1HG2 VAL 14 HG21 VAL 14 -2.763 9.114 0.056 101 2HG2 VAL 14 HG22 VAL 14 -2.912 9.689 -1.604 102 3HG2 VAL 14 HG23 VAL 14 -4.158 10.081 -0.421 103 H THR 15 HN THR 15 -3.719 13.702 0.980 104 HA THR 15 HA THR 15 -6.287 12.722 2.022 105 HB THR 15 HB THR 15 -6.377 15.507 1.872 106 HG1 THR 15 HG1 THR 15 -4.122 15.554 1.616 107 1HG2 THR 15 HG21 THR 15 -6.800 15.464 4.088 108 2HG2 THR 15 HG22 THR 15 -5.486 14.339 4.429 109 3HG2 THR 15 HG23 THR 15 -7.001 13.746 3.753 110 H CYS 16 HN CYS 16 -7.879 12.495 0.571 111 HA CYS 16 HA CYS 16 -7.503 13.554 -2.126 112 1HB CYS 16 HB2 CYS 16 -9.240 11.422 -0.933 113 2HB CYS 16 HB1 CYS 16 -9.610 12.077 -2.524 114 HA PRO 17 HA PRO 17 -10.721 16.513 -0.411 115 1HB PRO 17 HB2 PRO 17 -9.641 18.807 -1.375 116 2HB PRO 17 HB1 PRO 17 -9.225 18.115 0.195 117 1HG PRO 17 HG2 PRO 17 -7.748 17.958 -2.396 118 2HG PRO 17 HG1 PRO 17 -7.118 18.205 -0.759 119 1HD PRO 17 HD2 PRO 17 -7.033 15.799 -2.014 120 2HD PRO 17 HD1 PRO 17 -7.182 15.974 -0.253 121 HA PRO 18 HA PRO 18 -10.897 17.836 -5.296 122 1HB PRO 18 HB2 PRO 18 -10.596 14.930 -5.961 123 2HB PRO 18 HB1 PRO 18 -10.235 16.351 -6.946 124 1HG PRO 18 HG2 PRO 18 -8.285 15.029 -5.714 125 2HG PRO 18 HG1 PRO 18 -8.262 16.798 -5.817 126 1HD PRO 18 HD2 PRO 18 -8.822 15.046 -3.494 127 2HD PRO 18 HD1 PRO 18 -8.142 16.680 -3.541 128 H GLY 19 HN GLY 19 -11.937 14.456 -4.854 129 1HA GLY 19 HA2 GLY 19 -14.706 15.404 -4.533 130 2HA GLY 19 HA1 GLY 19 -14.330 14.222 -5.779 131 H GLU 20 HN GLU 20 -13.867 12.096 -5.203 132 HA GLU 20 HA GLU 20 -15.017 11.202 -2.747 133 1HB GLU 20 HB2 GLU 20 -14.521 10.043 -5.168 134 2HB GLU 20 HB1 GLU 20 -13.282 9.311 -4.155 135 1HG GLU 20 HG2 GLU 20 -15.342 7.985 -4.241 136 2HG GLU 20 HG1 GLU 20 -14.941 8.524 -2.611 137 H ASN 21 HN ASN 21 -13.527 9.396 -1.548 138 HA ASN 21 HA ASN 21 -10.809 10.306 -1.207 139 1HB ASN 21 HB2 ASN 21 -12.391 10.563 1.299 140 2HB ASN 21 HB1 ASN 21 -10.929 11.405 0.809 141 1HD2 ASN 21 HD21 ASN 21 -14.354 11.123 -0.035 142 2HD2 ASN 21 HD22 ASN 21 -14.586 12.800 -0.383 143 H LEU 22 HN LEU 22 -12.657 7.694 -1.346 144 HA LEU 22 HA LEU 22 -11.950 6.515 1.163 145 1HB LEU 22 HB2 LEU 22 -12.538 4.288 -0.090 146 2HB LEU 22 HB1 LEU 22 -13.778 5.375 0.472 147 HG LEU 22 HG LEU 22 -12.792 5.738 -2.216 148 1HD1 LEU 22 HD11 LEU 22 -14.973 3.791 -1.920 149 2HD1 LEU 22 HD12 LEU 22 -13.340 3.216 -1.592 150 3HD1 LEU 22 HD13 LEU 22 -13.730 3.906 -3.167 151 1HD2 LEU 22 HD21 LEU 22 -14.543 7.088 -0.900 152 2HD2 LEU 22 HD22 LEU 22 -15.614 5.749 -1.321 153 3HD2 LEU 22 HD23 LEU 22 -14.848 6.694 -2.596 154 H CYS 23 HN CYS 23 -10.952 4.205 0.981 155 HA CYS 23 HA CYS 23 -8.398 4.454 -0.419 156 1HB CYS 23 HB2 CYS 23 -8.818 3.390 2.366 157 2HB CYS 23 HB1 CYS 23 -7.294 3.505 1.502 158 H TYR 24 HN TYR 24 -7.592 2.582 -1.280 159 HA TYR 24 HA TYR 24 -9.361 0.256 -1.042 160 1HB TYR 24 HB2 TYR 24 -8.748 -0.365 -3.299 161 2HB TYR 24 HB1 TYR 24 -9.298 1.310 -3.301 162 HD1 TYR 24 HD1 TYR 24 -7.694 3.144 -3.598 163 HD2 TYR 24 HD2 TYR 24 -6.469 -0.928 -3.790 164 HE1 TYR 24 HE1 TYR 24 -5.584 3.829 -4.654 165 HE2 TYR 24 HE2 TYR 24 -4.362 -0.252 -4.839 166 HH TYR 24 HH TYR 24 -3.773 2.250 -6.356 167 H ARG 25 HN ARG 25 -8.456 -1.781 -0.942 168 HA ARG 25 HA ARG 25 -5.669 -1.826 -0.013 169 1HB ARG 25 HB2 ARG 25 -7.814 -3.881 0.546 170 2HB ARG 25 HB1 ARG 25 -6.232 -3.758 1.305 171 1HG ARG 25 HG2 ARG 25 -8.317 -1.608 1.543 172 2HG ARG 25 HG1 ARG 25 -8.197 -2.961 2.670 173 1HD ARG 25 HD2 ARG 25 -6.144 -0.828 2.119 174 2HD ARG 25 HD1 ARG 25 -7.015 -1.123 3.623 175 HE ARG 25 HE ARG 25 -4.643 -2.434 2.726 176 1HH1 ARG 25 HH11 ARG 25 -7.545 -2.863 4.617 177 2HH1 ARG 25 HH12 ARG 25 -6.860 -4.099 5.618 178 1HH2 ARG 25 HH21 ARG 25 -3.741 -4.061 4.043 179 2HH2 ARG 25 HH22 ARG 25 -4.701 -4.780 5.292 180 H LYS 26 HN LYS 26 -4.765 -2.026 -2.064 181 HA LYS 26 HA LYS 26 -5.557 -4.171 -3.831 182 1HB LYS 26 HB2 LYS 26 -4.804 -2.166 -4.877 183 2HB LYS 26 HB1 LYS 26 -3.368 -2.097 -3.875 184 1HG LYS 26 HG2 LYS 26 -2.291 -2.989 -5.593 185 2HG LYS 26 HG1 LYS 26 -3.100 -4.504 -5.188 186 1HD LYS 26 HD2 LYS 26 -4.010 -2.418 -7.158 187 2HD LYS 26 HD1 LYS 26 -3.435 -4.048 -7.517 188 1HE LYS 26 HE2 LYS 26 -5.592 -4.627 -7.495 189 2HE LYS 26 HE1 LYS 26 -5.458 -4.516 -5.741 190 1HZ LYS 26 HZ1 LYS 26 -6.669 -2.642 -5.684 191 2HZ LYS 26 HZ2 LYS 26 -7.244 -3.159 -7.188 192 3HZ LYS 26 HZ3 LYS 26 -6.001 -2.016 -7.106 193 H MET 27 HN MET 27 -5.027 -6.210 -3.339 194 HA MET 27 HA MET 27 -2.268 -6.705 -2.573 195 1HB MET 27 HB2 MET 27 -4.561 -7.989 -1.096 196 2HB MET 27 HB1 MET 27 -2.849 -8.133 -0.728 197 1HG MET 27 HG2 MET 27 -2.734 -5.867 -0.010 198 2HG MET 27 HG1 MET 27 -4.361 -5.540 -0.603 199 1HE MET 27 HE1 MET 27 -5.876 -8.573 1.133 200 2HE MET 27 HE2 MET 27 -6.122 -7.315 -0.079 201 3HE MET 27 HE3 MET 27 -6.746 -7.098 1.555 202 H TRP 28 HN TRP 28 -1.416 -8.621 -3.183 203 HA TRP 28 HA TRP 28 -3.099 -10.671 -4.381 204 1HB TRP 28 HB2 TRP 28 -1.974 -10.693 -6.526 205 2HB TRP 28 HB1 TRP 28 -2.711 -9.126 -6.245 206 HD1 TRP 28 HD1 TRP 28 0.726 -10.808 -6.379 207 HE1 TRP 28 HE1 TRP 28 2.492 -8.987 -6.857 208 HE3 TRP 28 HE3 TRP 28 -2.258 -6.697 -6.021 209 HZ2 TRP 28 HZ2 TRP 28 2.584 -6.152 -7.046 210 HZ3 TRP 28 HZ3 TRP 28 -1.268 -4.474 -6.358 211 HH2 TRP 28 HH2 TRP 28 1.099 -4.206 -6.851 212 H CYS 29 HN CYS 29 -0.910 -12.012 -5.721 213 HA CYS 29 HA CYS 29 0.529 -12.908 -3.314 214 1HB CYS 29 HB2 CYS 29 -1.048 -14.428 -4.852 215 2HB CYS 29 HB1 CYS 29 0.466 -14.633 -5.728 216 H ASP 30 HN ASP 30 2.514 -12.169 -3.162 217 HA ASP 30 HA ASP 30 4.266 -12.487 -5.469 218 1HB ASP 30 HB2 ASP 30 3.367 -10.044 -5.159 219 2HB ASP 30 HB1 ASP 30 4.565 -9.981 -3.868 220 H ALA 31 HN ALA 31 5.400 -14.074 -4.623 221 HA ALA 31 HA ALA 31 7.291 -14.806 -3.536 222 1HB ALA 31 HB1 ALA 31 7.351 -12.248 -2.695 223 2HB ALA 31 HB2 ALA 31 8.472 -13.501 -2.178 224 3HB ALA 31 HB3 ALA 31 7.070 -13.110 -1.187 225 H PHE 32 HN PHE 32 4.256 -14.121 -1.775 226 HA PHE 32 HA PHE 32 4.767 -16.104 0.226 227 1HB PHE 32 HB2 PHE 32 2.799 -14.283 -0.005 228 2HB PHE 32 HB1 PHE 32 1.964 -15.672 -0.666 229 HD1 PHE 32 HD1 PHE 32 0.403 -16.171 0.998 230 HD2 PHE 32 HD2 PHE 32 4.493 -15.625 2.043 231 HE1 PHE 32 HE1 PHE 32 -0.077 -16.979 3.270 232 HE2 PHE 32 HE2 PHE 32 4.020 -16.434 4.320 233 HZ PHE 32 HZ PHE 32 1.732 -17.113 4.936 234 H CYS 33 HN CYS 33 3.545 -15.967 -2.988 235 HA CYS 33 HA CYS 33 2.789 -18.723 -3.137 236 1HB CYS 33 HB2 CYS 33 3.025 -16.420 -5.056 237 2HB CYS 33 HB1 CYS 33 2.899 -18.060 -5.694 238 H SER 34 HN SER 34 5.499 -16.657 -3.790 239 HA SER 34 HA SER 34 7.147 -18.825 -4.812 240 1HB SER 34 HB2 SER 34 7.109 -15.980 -5.119 241 2HB SER 34 HB1 SER 34 8.669 -16.451 -4.444 242 HG SER 34 HG SER 34 7.751 -16.746 -6.950 243 H SER 35 HN SER 35 8.015 -16.219 -2.539 244 HA SER 35 HA SER 35 8.815 -18.214 -0.556 245 1HB SER 35 HB2 SER 35 10.982 -16.724 -0.317 246 2HB SER 35 HB1 SER 35 10.894 -18.035 -1.495 247 HG SER 35 HG SER 35 10.864 -15.275 -1.886 248 H ARG 36 HN ARG 36 8.709 -14.646 -1.082 249 HA ARG 36 HA ARG 36 8.757 -14.132 1.716 250 1HB ARG 36 HB2 ARG 36 9.746 -12.438 0.442 251 2HB ARG 36 HB1 ARG 36 8.380 -12.296 -0.633 252 1HG ARG 36 HG2 ARG 36 7.575 -10.642 0.581 253 2HG ARG 36 HG1 ARG 36 7.473 -11.707 1.986 254 1HD ARG 36 HD2 ARG 36 9.844 -11.222 2.471 255 2HD ARG 36 HD1 ARG 36 9.862 -10.091 1.123 256 HE ARG 36 HE ARG 36 8.050 -8.890 2.399 257 1HH1 ARG 36 HH11 ARG 36 10.453 -10.833 4.024 258 2HH1 ARG 36 HH12 ARG 36 10.389 -9.910 5.479 259 1HH2 ARG 36 HH21 ARG 36 7.981 -7.661 4.301 260 2HH2 ARG 36 HH22 ARG 36 8.990 -8.096 5.639 261 H GLY 37 HN GLY 37 6.181 -12.436 -0.126 262 1HA GLY 37 HA2 GLY 37 4.159 -13.960 1.267 263 2HA GLY 37 HA1 GLY 37 4.440 -12.388 1.968 264 H LYS 38 HN LYS 38 2.102 -12.238 1.475 265 HA LYS 38 HA LYS 38 1.241 -12.022 -1.228 266 1HB LYS 38 HB2 LYS 38 0.051 -11.890 1.376 267 2HB LYS 38 HB1 LYS 38 -0.434 -10.462 0.472 268 1HG LYS 38 HG2 LYS 38 -1.793 -11.626 -0.861 269 2HG LYS 38 HG1 LYS 38 -0.621 -12.928 -1.075 270 1HD LYS 38 HD2 LYS 38 -2.389 -12.541 1.341 271 2HD LYS 38 HD1 LYS 38 -2.668 -13.703 0.042 272 1HE LYS 38 HE2 LYS 38 -1.528 -15.129 1.340 273 2HE LYS 38 HE1 LYS 38 -0.101 -14.274 0.758 274 1HZ LYS 38 HZ1 LYS 38 0.241 -13.331 2.745 275 2HZ LYS 38 HZ2 LYS 38 -0.734 -14.577 3.341 276 3HZ LYS 38 HZ3 LYS 38 -1.403 -13.055 3.035 277 H VAL 39 HN VAL 39 0.176 -9.785 -1.879 278 HA VAL 39 HA VAL 39 2.268 -7.772 -1.415 279 HB VAL 39 HB VAL 39 0.695 -8.482 -3.830 280 1HG1 VAL 39 HG11 VAL 39 1.631 -6.070 -4.598 281 2HG1 VAL 39 HG12 VAL 39 1.176 -5.698 -2.946 282 3HG1 VAL 39 HG13 VAL 39 -0.025 -6.341 -4.064 283 1HG2 VAL 39 HG21 VAL 39 3.438 -7.286 -3.621 284 2HG2 VAL 39 HG22 VAL 39 2.777 -8.317 -4.885 285 3HG2 VAL 39 HG23 VAL 39 3.142 -8.992 -3.298 286 H VAL 40 HN VAL 40 1.819 -5.777 -0.875 287 HA VAL 40 HA VAL 40 -0.956 -5.051 -0.298 288 HB VAL 40 HB VAL 40 1.206 -3.967 1.435 289 1HG1 VAL 40 HG11 VAL 40 -0.524 -3.256 2.635 290 2HG1 VAL 40 HG12 VAL 40 -1.194 -4.884 2.739 291 3HG1 VAL 40 HG13 VAL 40 -1.581 -3.857 1.358 292 1HG2 VAL 40 HG21 VAL 40 0.279 -6.805 1.477 293 2HG2 VAL 40 HG22 VAL 40 0.677 -5.990 2.989 294 3HG2 VAL 40 HG23 VAL 40 1.897 -6.148 1.726 295 H GLU 41 HN GLU 41 -1.506 -3.426 -1.487 296 HA GLU 41 HA GLU 41 0.359 -1.219 -2.006 297 1HB GLU 41 HB2 GLU 41 0.287 -2.585 -4.002 298 2HB GLU 41 HB1 GLU 41 -1.467 -2.642 -3.948 299 1HG GLU 41 HG2 GLU 41 -0.431 -1.128 -5.662 300 2HG GLU 41 HG1 GLU 41 -1.673 -0.420 -4.630 301 H LEU 42 HN LEU 42 -0.742 -0.105 -0.281 302 HA LEU 42 HA LEU 42 -3.582 0.303 -0.385 303 1HB LEU 42 HB2 LEU 42 -1.844 2.088 1.235 304 2HB LEU 42 HB1 LEU 42 -3.383 1.355 1.640 305 HG LEU 42 HG LEU 42 -0.665 0.079 1.709 306 1HD1 LEU 42 HD11 LEU 42 -2.510 -0.151 3.970 307 2HD1 LEU 42 HD12 LEU 42 -1.985 1.494 3.612 308 3HD1 LEU 42 HD13 LEU 42 -0.790 0.238 3.937 309 1HD2 LEU 42 HD21 LEU 42 -1.738 -1.773 0.987 310 2HD2 LEU 42 HD22 LEU 42 -3.332 -1.149 1.416 311 3HD2 LEU 42 HD23 LEU 42 -2.291 -1.843 2.660 312 H GLY 43 HN GLY 43 -4.713 2.224 -0.811 313 1HA GLY 43 HA2 GLY 43 -3.385 4.610 -1.660 314 2HA GLY 43 HA1 GLY 43 -3.963 3.685 -3.034 315 H CYS 44 HN CYS 44 -4.939 6.129 -2.821 316 HA CYS 44 HA CYS 44 -7.542 5.985 -1.469 317 1HB CYS 44 HB2 CYS 44 -6.254 8.012 -1.039 318 2HB CYS 44 HB1 CYS 44 -6.084 8.306 -2.765 319 H ALA 45 HN ALA 45 -9.488 6.591 -2.687 320 HA ALA 45 HA ALA 45 -9.420 6.812 -5.519 321 1HB ALA 45 HB1 ALA 45 -8.806 4.382 -5.112 322 2HB ALA 45 HB2 ALA 45 -10.148 4.693 -6.214 323 3HB ALA 45 HB3 ALA 45 -10.467 4.169 -4.561 324 H ALA 46 HN ALA 46 -11.715 6.148 -6.392 325 HA ALA 46 HA ALA 46 -13.730 7.131 -4.492 326 1HB ALA 46 HB1 ALA 46 -14.744 8.446 -6.239 327 2HB ALA 46 HB2 ALA 46 -13.558 7.867 -7.409 328 3HB ALA 46 HB3 ALA 46 -13.048 8.898 -6.070 329 H THR 47 HN THR 47 -12.936 5.137 -7.251 330 HA THR 47 HA THR 47 -15.200 3.429 -6.646 331 HB THR 47 HB THR 47 -16.174 4.861 -8.332 332 HG1 THR 47 HG1 THR 47 -16.772 3.306 -9.741 333 1HG2 THR 47 HG21 THR 47 -14.775 4.350 -10.675 334 2HG2 THR 47 HG22 THR 47 -13.546 4.794 -9.491 335 3HG2 THR 47 HG23 THR 47 -14.893 5.884 -9.813 336 H CYS 48 HN CYS 48 -12.615 3.044 -6.098 337 HA CYS 48 HA CYS 48 -10.881 1.806 -7.728 338 1HB CYS 48 HB2 CYS 48 -10.768 0.102 -5.617 339 2HB CYS 48 HB1 CYS 48 -10.036 1.696 -5.649 340 HA PRO 49 HA PRO 49 -13.201 -1.508 -9.649 341 1HB PRO 49 HB2 PRO 49 -11.033 -2.794 -10.737 342 2HB PRO 49 HB1 PRO 49 -11.819 -1.388 -11.465 343 1HG PRO 49 HG2 PRO 49 -9.343 -1.519 -9.790 344 2HG PRO 49 HG1 PRO 49 -9.661 -0.561 -11.248 345 1HD PRO 49 HD2 PRO 49 -9.761 0.528 -8.793 346 2HD PRO 49 HD1 PRO 49 -10.866 1.039 -10.086 347 H SER 50 HN SER 50 -13.747 -3.560 -9.068 348 HA SER 50 HA SER 50 -12.400 -4.655 -6.740 349 1HB SER 50 HB2 SER 50 -14.921 -5.561 -8.130 350 2HB SER 50 HB1 SER 50 -14.313 -6.171 -6.592 351 HG SER 50 HG SER 50 -14.998 -4.420 -5.616 352 H LYS 51 HN LYS 51 -10.468 -5.162 -8.184 353 HA LYS 51 HA LYS 51 -10.737 -7.280 -10.044 354 1HB LYS 51 HB2 LYS 51 -8.209 -7.329 -9.958 355 2HB LYS 51 HB1 LYS 51 -8.945 -5.819 -10.471 356 1HG LYS 51 HG2 LYS 51 -7.556 -4.877 -9.004 357 2HG LYS 51 HG1 LYS 51 -8.704 -5.428 -7.785 358 1HD LYS 51 HD2 LYS 51 -7.128 -7.644 -8.233 359 2HD LYS 51 HD1 LYS 51 -5.985 -6.307 -8.318 360 1HE LYS 51 HE2 LYS 51 -7.199 -5.518 -6.151 361 2HE LYS 51 HE1 LYS 51 -7.694 -7.202 -6.038 362 1HZ LYS 51 HZ1 LYS 51 -4.933 -7.061 -6.581 363 2HZ LYS 51 HZ2 LYS 51 -5.715 -7.705 -5.226 364 3HZ LYS 51 HZ3 LYS 51 -5.282 -6.078 -5.250 365 H LYS 52 HN LYS 52 -11.951 -8.699 -8.594 366 HA LYS 52 HA LYS 52 -10.369 -10.093 -6.593 367 1HB LYS 52 HB2 LYS 52 -12.709 -9.368 -6.160 368 2HB LYS 52 HB1 LYS 52 -13.242 -10.546 -7.349 369 1HG LYS 52 HG2 LYS 52 -13.400 -11.244 -4.937 370 2HG LYS 52 HG1 LYS 52 -12.558 -12.359 -6.009 371 1HD LYS 52 HD2 LYS 52 -10.874 -10.333 -4.683 372 2HD LYS 52 HD1 LYS 52 -11.595 -11.543 -3.622 373 1HE LYS 52 HE2 LYS 52 -9.758 -11.973 -5.964 374 2HE LYS 52 HE1 LYS 52 -9.491 -12.401 -4.276 375 1HZ LYS 52 HZ1 LYS 52 -10.152 -14.414 -4.969 376 2HZ LYS 52 HZ2 LYS 52 -10.956 -13.818 -6.334 377 3HZ LYS 52 HZ3 LYS 52 -11.715 -13.779 -4.822 378 HA PRO 53 HA PRO 53 -10.839 -13.416 -9.992 379 1HB PRO 53 HB2 PRO 53 -9.353 -12.875 -12.133 380 2HB PRO 53 HB1 PRO 53 -10.977 -12.197 -11.959 381 1HG PRO 53 HG2 PRO 53 -8.324 -10.905 -11.494 382 2HG PRO 53 HG1 PRO 53 -9.779 -10.236 -12.253 383 1HD PRO 53 HD2 PRO 53 -9.006 -9.810 -9.626 384 2HD PRO 53 HD1 PRO 53 -10.652 -9.593 -10.255 385 H TYR 54 HN TYR 54 -8.675 -12.412 -7.980 386 HA TYR 54 HA TYR 54 -7.130 -14.614 -7.680 387 1HB TYR 54 HB2 TYR 54 -6.052 -14.575 -9.752 388 2HB TYR 54 HB1 TYR 54 -6.037 -12.819 -9.816 389 HD1 TYR 54 HD1 TYR 54 -3.772 -12.455 -10.335 390 HD2 TYR 54 HD2 TYR 54 -4.776 -14.879 -6.987 391 HE1 TYR 54 HE1 TYR 54 -1.422 -12.435 -9.623 392 HE2 TYR 54 HE2 TYR 54 -2.427 -14.866 -6.268 393 HH TYR 54 HH TYR 54 -0.161 -12.731 -7.429 394 H GLU 55 HN GLU 55 -7.015 -11.118 -7.878 395 HA GLU 55 HA GLU 55 -5.455 -11.057 -5.397 396 1HB GLU 55 HB2 GLU 55 -5.887 -8.702 -7.200 397 2HB GLU 55 HB1 GLU 55 -4.590 -8.983 -6.052 398 1HG GLU 55 HG2 GLU 55 -3.697 -10.742 -7.497 399 2HG GLU 55 HG1 GLU 55 -4.997 -10.445 -8.650 400 H GLU 56 HN GLU 56 -6.023 -9.427 -3.792 401 HA GLU 56 HA GLU 56 -8.927 -9.069 -3.663 402 1HB GLU 56 HB2 GLU 56 -7.526 -10.217 -1.814 403 2HB GLU 56 HB1 GLU 56 -7.029 -8.586 -1.382 404 1HG GLU 56 HG2 GLU 56 -8.916 -9.422 -0.039 405 2HG GLU 56 HG1 GLU 56 -9.297 -7.952 -0.934 406 H VAL 57 HN VAL 57 -9.882 -7.103 -3.443 407 HA VAL 57 HA VAL 57 -8.200 -4.731 -3.171 408 HB VAL 57 HB VAL 57 -8.279 -4.758 -5.495 409 1HG1 VAL 57 HG11 VAL 57 -10.827 -6.125 -5.112 410 2HG1 VAL 57 HG12 VAL 57 -9.649 -6.278 -6.418 411 3HG1 VAL 57 HG13 VAL 57 -10.829 -4.976 -6.443 412 1HG2 VAL 57 HG21 VAL 57 -10.739 -3.144 -4.912 413 2HG2 VAL 57 HG22 VAL 57 -9.486 -2.845 -6.116 414 3HG2 VAL 57 HG23 VAL 57 -9.128 -2.638 -4.402 415 H THR 58 HN THR 58 -9.019 -3.631 -1.530 416 HA THR 58 HA THR 58 -11.915 -3.770 -1.029 417 HB THR 58 HB THR 58 -9.940 -2.550 0.873 418 HG1 THR 58 HG1 THR 58 -10.520 -5.319 0.726 419 1HG2 THR 58 HG21 THR 58 -12.635 -3.791 1.088 420 2HG2 THR 58 HG22 THR 58 -12.016 -2.303 1.801 421 3HG2 THR 58 HG23 THR 58 -11.533 -3.865 2.462 422 H CYS 59 HN CYS 59 -12.835 -1.721 -0.008 423 HA CYS 59 HA CYS 59 -11.743 0.779 -1.021 424 1HB CYS 59 HB2 CYS 59 -14.436 -0.307 -1.880 425 2HB CYS 59 HB1 CYS 59 -13.935 1.366 -2.101 426 H CYS 60 HN CYS 60 -11.919 2.207 0.630 427 HA CYS 60 HA CYS 60 -14.332 2.119 2.295 428 1HB CYS 60 HB2 CYS 60 -12.990 2.184 4.357 429 2HB CYS 60 HB1 CYS 60 -12.716 0.711 3.429 430 H SER 61 HN SER 61 -15.160 4.111 2.481 431 HA SER 61 HA SER 61 -13.486 6.402 1.904 432 1HB SER 61 HB2 SER 61 -15.708 7.627 1.917 433 2HB SER 61 HB1 SER 61 -15.465 6.411 0.658 434 HG SER 61 HG SER 61 -16.795 5.029 1.736 435 H THR 62 HN THR 62 -12.443 5.837 4.160 436 HA THR 62 HA THR 62 -13.575 7.799 6.005 437 HB THR 62 HB THR 62 -12.819 6.105 7.857 438 HG1 THR 62 HG1 THR 62 -12.712 4.086 7.260 439 1HG2 THR 62 HG21 THR 62 -15.420 5.750 6.398 440 2HG2 THR 62 HG22 THR 62 -15.092 6.949 7.650 441 3HG2 THR 62 HG23 THR 62 -15.070 5.231 8.048 442 H ASP 63 HN ASP 63 -12.014 8.889 7.243 443 HA ASP 63 HA ASP 63 -9.622 9.489 6.217 444 1HB ASP 63 HB2 ASP 63 -10.071 9.257 9.195 445 2HB ASP 63 HB1 ASP 63 -8.939 10.325 8.374 446 H LYS 64 HN LYS 64 -7.848 8.504 5.764 447 HA LYS 64 HA LYS 64 -6.441 6.687 5.474 448 1HB LYS 64 HB2 LYS 64 -5.264 6.337 7.838 449 2HB LYS 64 HB1 LYS 64 -4.952 7.734 6.821 450 1HG LYS 64 HG2 LYS 64 -5.871 9.148 8.292 451 2HG LYS 64 HG1 LYS 64 -7.197 8.052 8.674 452 1HD LYS 64 HD2 LYS 64 -5.899 6.832 10.186 453 2HD LYS 64 HD1 LYS 64 -4.401 7.555 9.600 454 1HE LYS 64 HE2 LYS 64 -4.848 9.608 10.638 455 2HE LYS 64 HE1 LYS 64 -6.556 9.228 10.849 456 1HZ LYS 64 HZ1 LYS 64 -5.610 8.982 12.955 457 2HZ LYS 64 HZ2 LYS 64 -4.245 8.176 12.365 458 3HZ LYS 64 HZ3 LYS 64 -5.744 7.395 12.383 459 H CYS 65 HN CYS 65 -8.642 5.467 5.367 460 HA CYS 65 HA CYS 65 -8.994 3.558 7.501 461 1HB CYS 65 HB2 CYS 65 -10.948 2.822 6.250 462 2HB CYS 65 HB1 CYS 65 -10.937 4.570 6.476 463 H ASN 66 HN ASN 66 -6.816 3.591 5.057 464 HA ASN 66 HA ASN 66 -7.087 0.700 4.550 465 1HB ASN 66 HB2 ASN 66 -5.580 1.122 2.579 466 2HB ASN 66 HB1 ASN 66 -7.174 1.863 2.470 467 1HD2 ASN 66 HD21 ASN 66 -4.689 2.544 1.129 468 2HD2 ASN 66 HD22 ASN 66 -4.376 4.193 1.519 469 HA PRO 67 HA PRO 67 -3.191 1.011 6.935 470 1HB PRO 67 HB2 PRO 67 -3.835 -0.379 9.065 471 2HB PRO 67 HB1 PRO 67 -4.586 1.208 8.813 472 1HG PRO 67 HG2 PRO 67 -5.719 -1.517 8.268 473 2HG PRO 67 HG1 PRO 67 -6.483 -0.132 9.070 474 1HD PRO 67 HD2 PRO 67 -6.769 -0.783 6.376 475 2HD PRO 67 HD1 PRO 67 -7.094 0.809 7.089 476 H HIS 68 HN HIS 68 -1.744 -0.828 7.715 477 HA HIS 68 HA HIS 68 -1.682 -2.860 5.691 478 1HB HIS 68 HB2 HIS 68 0.183 -1.683 7.471 479 2HB HIS 68 HB1 HIS 68 0.184 -3.414 7.792 480 HD1 HIS 68 HD1 HIS 68 0.407 -1.123 4.766 481 HD2 HIS 68 HD2 HIS 68 1.836 -4.787 6.117 482 HE1 HIS 68 HE1 HIS 68 1.944 -1.949 2.972 483 HE2 HIS 68 HE2 HIS 68 2.958 -4.055 3.920 484 HA PRO 69 HA PRO 69 -3.737 -6.108 7.890 485 1HB PRO 69 HB2 PRO 69 -2.143 -8.096 6.477 486 2HB PRO 69 HB1 PRO 69 -3.847 -7.688 6.265 487 1HG PRO 69 HG2 PRO 69 -1.962 -7.134 4.397 488 2HG PRO 69 HG1 PRO 69 -3.410 -6.142 4.628 489 1HD PRO 69 HD2 PRO 69 -0.612 -5.664 5.597 490 2HD PRO 69 HD1 PRO 69 -1.770 -4.519 4.885 491 H LYS 70 HN LYS 70 -0.384 -7.167 7.250 492 HA LYS 70 HA LYS 70 -0.158 -8.506 9.753 493 1HB LYS 70 HB2 LYS 70 1.364 -8.295 7.354 494 2HB LYS 70 HB1 LYS 70 2.424 -7.887 8.697 495 1HG LYS 70 HG2 LYS 70 0.811 -10.413 8.401 496 2HG LYS 70 HG1 LYS 70 2.556 -10.248 8.194 497 1HD LYS 70 HD2 LYS 70 1.306 -9.400 10.768 498 2HD LYS 70 HD1 LYS 70 1.552 -11.118 10.457 499 1HE LYS 70 HE2 LYS 70 3.940 -10.654 10.010 500 2HE LYS 70 HE1 LYS 70 3.664 -8.965 10.432 501 1HZ LYS 70 HZ1 LYS 70 4.535 -10.054 12.333 502 2HZ LYS 70 HZ2 LYS 70 3.425 -11.324 12.213 503 3HZ LYS 70 HZ3 LYS 70 2.894 -9.776 12.642 504 H GLN 71 HN GLN 71 0.895 -5.395 8.490 505 HA GLN 71 HA GLN 71 2.060 -4.639 11.059 506 1HB GLN 71 HB2 GLN 71 2.060 -3.448 8.307 507 2HB GLN 71 HB1 GLN 71 2.429 -2.430 9.691 508 1HG GLN 71 HG2 GLN 71 4.133 -4.295 10.276 509 2HG GLN 71 HG1 GLN 71 3.951 -4.739 8.578 510 1HE2 GLN 71 HE21 GLN 71 3.811 -2.463 7.252 511 2HE2 GLN 71 HE22 GLN 71 5.219 -1.492 7.491 512 H ARG 72 HN ARG 72 1.391 -2.690 12.165 513 HA ARG 72 HA ARG 72 -0.883 -1.202 11.446 514 1HB ARG 72 HB2 ARG 72 -2.582 -2.064 12.886 515 2HB ARG 72 HB1 ARG 72 -1.977 -3.406 11.926 516 1HG ARG 72 HG2 ARG 72 -0.859 -2.895 14.651 517 2HG ARG 72 HG1 ARG 72 -2.403 -3.726 14.459 518 1HD ARG 72 HD2 ARG 72 -0.267 -4.723 12.719 519 2HD ARG 72 HD1 ARG 72 0.042 -4.931 14.443 520 HE ARG 72 HE ARG 72 -2.575 -5.778 13.562 521 1HH1 ARG 72 HH11 ARG 72 0.737 -6.725 14.133 522 2HH1 ARG 72 HH12 ARG 72 0.357 -8.405 14.305 523 1HH2 ARG 72 HH21 ARG 72 -3.075 -7.987 13.787 524 2HH2 ARG 72 HH22 ARG 72 -1.807 -9.123 14.107 525 HA PRO 73 HA PRO 73 0.420 1.584 14.580 526 1HB PRO 73 HB2 PRO 73 -2.316 1.538 15.752 527 2HB PRO 73 HB1 PRO 73 -1.350 2.912 15.202 528 1HG PRO 73 HG2 PRO 73 -3.396 2.023 13.750 529 2HG PRO 73 HG1 PRO 73 -1.899 2.572 12.972 530 1HD PRO 73 HD2 PRO 73 -2.887 -0.208 13.437 531 2HD PRO 73 HD1 PRO 73 -2.009 0.459 12.046 532 H GLY 74 HN GLY 74 1.749 0.058 15.693 533 1HA GLY 74 HA2 GLY 74 0.570 -1.428 17.904 534 2HA GLY 74 HA1 GLY 74 2.245 -1.500 17.374 535 1H GLU 180 HT1 GLU 180 20.852 9.474 -3.407 536 2H GLU 180 HT2 GLU 180 22.357 9.152 -2.650 537 3H GLU 180 HT3 GLU 180 22.257 9.241 -4.361 538 HA GLU 180 HA GLU 180 23.148 11.197 -2.969 539 1HB GLU 180 HB2 GLU 180 22.025 12.706 -4.759 540 2HB GLU 180 HB1 GLU 180 23.106 11.425 -5.285 541 1HG GLU 180 HG2 GLU 180 21.508 10.646 -6.591 542 2HG GLU 180 HG1 GLU 180 20.529 10.301 -5.169 543 H GLU 181 HN GLU 181 19.636 11.015 -3.588 544 HA GLU 181 HA GLU 181 19.068 12.215 -1.035 545 1HB GLU 181 HB2 GLU 181 19.521 13.995 -3.055 546 2HB GLU 181 HB1 GLU 181 17.783 13.764 -3.183 547 1HG GLU 181 HG2 GLU 181 17.644 15.358 -1.638 548 2HG GLU 181 HG1 GLU 181 18.107 14.097 -0.497 549 H ARG 182 HN ARG 182 16.636 12.549 -0.789 550 HA ARG 182 HA ARG 182 15.308 10.151 -1.331 551 1HB ARG 182 HB2 ARG 182 14.778 12.541 0.098 552 2HB ARG 182 HB1 ARG 182 13.401 12.261 -0.959 553 1HG ARG 182 HG2 ARG 182 12.628 10.872 0.583 554 2HG ARG 182 HG1 ARG 182 13.934 9.772 0.137 555 1HD ARG 182 HD2 ARG 182 13.915 10.150 2.538 556 2HD ARG 182 HD1 ARG 182 15.380 10.813 1.816 557 HE ARG 182 HE ARG 182 13.269 12.739 2.076 558 1HH1 ARG 182 HH11 ARG 182 15.924 11.184 3.723 559 2HH1 ARG 182 HH12 ARG 182 16.152 12.482 4.845 560 1HH2 ARG 182 HH21 ARG 182 13.567 14.448 3.552 561 2HH2 ARG 182 HH22 ARG 182 14.814 14.336 4.749 562 H GLY 183 HN GLY 183 13.711 9.572 -2.799 563 1HA GLY 183 HA2 GLY 183 13.723 11.161 -5.269 564 2HA GLY 183 HA1 GLY 183 13.298 9.462 -5.144 565 H TRP 184 HN TRP 184 11.273 9.376 -5.914 566 HA TRP 184 HA TRP 184 9.345 11.362 -4.999 567 1HB TRP 184 HB2 TRP 184 7.858 10.116 -6.752 568 2HB TRP 184 HB1 TRP 184 9.091 11.247 -7.271 569 HD1 TRP 184 HD1 TRP 184 9.463 10.195 -9.610 570 HE1 TRP 184 HE1 TRP 184 10.532 8.015 -10.440 571 HE3 TRP 184 HE3 TRP 184 9.755 7.644 -5.154 572 HZ2 TRP 184 HZ2 TRP 184 11.380 5.556 -9.380 573 HZ3 TRP 184 HZ3 TRP 184 10.705 5.386 -5.180 574 HH2 TRP 184 HH2 TRP 184 11.503 4.363 -7.241 575 H LYS 185 HN LYS 185 7.695 8.561 -5.907 576 HA LYS 185 HA LYS 185 7.634 7.532 -3.177 577 1HB LYS 185 HB2 LYS 185 5.582 9.139 -4.399 578 2HB LYS 185 HB1 LYS 185 4.954 7.551 -4.019 579 1HG LYS 185 HG2 LYS 185 5.830 7.863 -1.693 580 2HG LYS 185 HG1 LYS 185 6.177 9.536 -2.130 581 1HD LYS 185 HD2 LYS 185 3.473 8.523 -2.738 582 2HD LYS 185 HD1 LYS 185 3.872 8.734 -1.032 583 1HE LYS 185 HE2 LYS 185 4.286 10.880 -3.105 584 2HE LYS 185 HE1 LYS 185 2.803 10.722 -2.165 585 1HZ LYS 185 HZ1 LYS 185 3.817 11.415 -0.274 586 2HZ LYS 185 HZ2 LYS 185 4.785 12.244 -1.384 587 3HZ LYS 185 HZ3 LYS 185 5.332 10.797 -0.702 588 H HIS 186 HN HIS 186 8.359 5.501 -3.585 589 HA HIS 186 HA HIS 186 6.656 3.793 -5.252 590 1HB HIS 186 HB2 HIS 186 8.707 4.470 -6.559 591 2HB HIS 186 HB1 HIS 186 9.675 3.636 -5.350 592 HD1 HIS 186 HD1 HIS 186 8.992 3.004 -8.552 593 HD2 HIS 186 HD2 HIS 186 7.957 0.857 -5.149 594 HE1 HIS 186 HE1 HIS 186 8.572 0.653 -9.342 595 HE2 HIS 186 HE2 HIS 186 8.001 -0.641 -7.257 596 H TRP 187 HN TRP 187 6.059 2.001 -4.135 597 HA TRP 187 HA TRP 187 7.828 0.999 -1.996 598 1HB TRP 187 HB2 TRP 187 5.314 2.340 -1.655 599 2HB TRP 187 HB1 TRP 187 5.199 0.704 -1.043 600 HD1 TRP 187 HD1 TRP 187 6.444 4.094 -0.155 601 HE1 TRP 187 HE1 TRP 187 7.657 4.036 2.092 602 HE3 TRP 187 HE3 TRP 187 6.796 -0.958 0.458 603 HZ2 TRP 187 HZ2 TRP 187 8.621 2.132 3.906 604 HZ3 TRP 187 HZ3 TRP 187 7.887 -1.807 2.472 605 HH2 TRP 187 HH2 TRP 187 8.772 -0.299 4.177 606 H VAL 188 HN VAL 188 7.256 -1.092 -1.220 607 HA VAL 188 HA VAL 188 5.456 -2.718 -2.808 608 HB VAL 188 HB VAL 188 8.254 -3.742 -2.351 609 1HG1 VAL 188 HG11 VAL 188 7.621 -5.329 -4.091 610 2HG1 VAL 188 HG12 VAL 188 6.046 -4.549 -4.236 611 3HG1 VAL 188 HG13 VAL 188 6.487 -5.370 -2.739 612 1HG2 VAL 188 HG21 VAL 188 8.881 -3.139 -4.577 613 2HG2 VAL 188 HG22 VAL 188 8.315 -1.676 -3.769 614 3HG2 VAL 188 HG23 VAL 188 7.271 -2.509 -4.922 615 H TYR 189 HN TYR 189 4.155 -3.036 -0.996 616 HA TYR 189 HA TYR 189 5.504 -4.120 1.382 617 1HB TYR 189 HB2 TYR 189 3.008 -2.584 0.894 618 2HB TYR 189 HB1 TYR 189 2.969 -3.765 2.198 619 HD1 TYR 189 HD1 TYR 189 3.371 -0.443 1.603 620 HD2 TYR 189 HD2 TYR 189 5.360 -3.603 3.632 621 HE1 TYR 189 HE1 TYR 189 4.431 1.192 3.075 622 HE2 TYR 189 HE2 TYR 189 6.436 -1.966 5.121 623 HH TYR 189 HH TYR 189 5.617 0.683 5.843 624 H TYR 190 HN TYR 190 4.877 -6.026 2.330 625 HA TYR 190 HA TYR 190 3.096 -7.742 0.749 626 1HB TYR 190 HB2 TYR 190 5.727 -8.633 1.940 627 2HB TYR 190 HB1 TYR 190 4.610 -9.630 1.024 628 HD1 TYR 190 HD1 TYR 190 7.595 -7.931 0.862 629 HD2 TYR 190 HD2 TYR 190 4.070 -8.559 -1.417 630 HE1 TYR 190 HE1 TYR 190 8.840 -7.429 -1.183 631 HE2 TYR 190 HE2 TYR 190 5.302 -8.042 -3.479 632 HH TYR 190 HH TYR 190 8.693 -7.871 -3.589 633 H THR 191 HN THR 191 1.737 -9.013 1.930 634 HA THR 191 HA THR 191 1.707 -8.578 4.790 635 HB THR 191 HB THR 191 -0.374 -9.503 4.844 636 HG1 THR 191 HG1 THR 191 -0.881 -11.293 3.864 637 1HG2 THR 191 HG21 THR 191 -1.690 -8.789 2.961 638 2HG2 THR 191 HG22 THR 191 -0.249 -8.723 1.944 639 3HG2 THR 191 HG23 THR 191 -0.435 -7.595 3.288 640 H CYS 192 HN CYS 192 2.622 -9.810 6.227 641 HA CYS 192 HA CYS 192 2.740 -12.425 6.713 642 1HB CYS 192 HB2 CYS 192 3.638 -13.494 4.893 643 2HB CYS 192 HB1 CYS 192 4.208 -11.986 4.186 644 H CYS 193 HN CYS 193 5.019 -10.011 5.765 645 HA CYS 193 HA CYS 193 6.438 -10.305 8.318 646 1HB CYS 193 HB2 CYS 193 8.327 -9.822 6.272 647 2HB CYS 193 HB1 CYS 193 8.081 -11.319 7.168 648 HA PRO 194 HA PRO 194 6.176 -5.842 7.903 649 1HB PRO 194 HB2 PRO 194 5.824 -5.308 10.441 650 2HB PRO 194 HB1 PRO 194 4.611 -6.276 9.589 651 1HG PRO 194 HG2 PRO 194 6.767 -7.174 11.455 652 2HG PRO 194 HG1 PRO 194 5.081 -7.713 11.348 653 1HD PRO 194 HD2 PRO 194 7.306 -8.957 10.155 654 2HD PRO 194 HD1 PRO 194 5.600 -9.279 9.786 655 H ASP 195 HN ASP 195 8.663 -7.706 9.405 656 HA ASP 195 HA ASP 195 10.181 -5.346 10.195 657 1HB ASP 195 HB2 ASP 195 10.362 -8.260 10.748 658 2HB ASP 195 HB1 ASP 195 11.862 -7.339 10.781 659 H THR 196 HN THR 196 9.727 -6.928 7.364 660 HA THR 196 HA THR 196 12.344 -6.068 6.384 661 HB THR 196 HB THR 196 11.830 -8.367 4.900 662 HG1 THR 196 HG1 THR 196 10.371 -8.768 6.873 663 1HG2 THR 196 HG21 THR 196 13.562 -8.937 7.123 664 2HG2 THR 196 HG22 THR 196 13.906 -7.354 6.426 665 3HG2 THR 196 HG23 THR 196 13.936 -8.792 5.405 666 HA PRO 197 HA PRO 197 8.540 -5.001 3.719 667 1HB PRO 197 HB2 PRO 197 8.710 -2.297 4.025 668 2HB PRO 197 HB1 PRO 197 7.729 -3.332 5.064 669 1HG PRO 197 HG2 PRO 197 10.458 -2.204 5.545 670 2HG PRO 197 HG1 PRO 197 9.081 -2.314 6.658 671 1HD PRO 197 HD2 PRO 197 11.134 -4.054 6.748 672 2HD PRO 197 HD1 PRO 197 9.468 -4.545 7.116 673 H TYR 198 HN TYR 198 8.623 -3.911 1.645 674 HA TYR 198 HA TYR 198 11.393 -3.527 0.728 675 1HB TYR 198 HB2 TYR 198 8.897 -4.327 -0.758 676 2HB TYR 198 HB1 TYR 198 10.410 -3.939 -1.558 677 HD1 TYR 198 HD1 TYR 198 9.649 -5.952 1.496 678 HD2 TYR 198 HD2 TYR 198 11.258 -5.836 -2.431 679 HE1 TYR 198 HE1 TYR 198 10.365 -8.276 1.737 680 HE2 TYR 198 HE2 TYR 198 11.974 -8.152 -2.210 681 HH TYR 198 HH TYR 198 12.055 -9.798 0.754 682 H LEU 199 HN LEU 199 11.950 -1.477 0.661 683 HA LEU 199 HA LEU 199 9.954 0.573 0.032 684 1HB LEU 199 HB2 LEU 199 11.582 0.545 2.059 685 2HB LEU 199 HB1 LEU 199 12.770 1.103 0.899 686 HG LEU 199 HG LEU 199 10.183 2.503 1.534 687 1HD1 LEU 199 HD11 LEU 199 12.968 2.736 2.608 688 2HD1 LEU 199 HD12 LEU 199 11.431 2.778 3.469 689 3HD1 LEU 199 HD13 LEU 199 11.946 4.168 2.517 690 1HD2 LEU 199 HD21 LEU 199 10.602 3.515 -0.422 691 2HD2 LEU 199 HD22 LEU 199 12.243 2.875 -0.509 692 3HD2 LEU 199 HD23 LEU 199 11.912 4.328 0.433 693 H ASP 200 HN ASP 200 10.220 2.054 -1.640 694 HA ASP 200 HA ASP 200 12.490 1.621 -3.446 695 1HB ASP 200 HB2 ASP 200 9.582 1.426 -4.112 696 2HB ASP 200 HB1 ASP 200 10.706 2.023 -5.329 697 H ILE 201 HN ILE 201 13.532 3.422 -3.724 698 HA ILE 201 HA ILE 201 12.061 5.957 -3.965 699 HB ILE 201 HB ILE 201 14.067 7.043 -2.830 700 1HG1 ILE 201 HG12 ILE 201 14.540 4.537 -1.334 701 2HG1 ILE 201 HG11 ILE 201 15.183 4.573 -2.973 702 1HG2 ILE 201 HG21 ILE 201 12.005 7.022 -1.681 703 2HG2 ILE 201 HG22 ILE 201 13.208 6.444 -0.529 704 3HG2 ILE 201 HG23 ILE 201 12.132 5.299 -1.331 705 1HD1 ILE 201 HD11 ILE 201 15.854 7.023 -1.723 706 2HD1 ILE 201 HD12 ILE 201 16.922 5.725 -2.256 707 3HD1 ILE 201 HD13 ILE 201 16.265 5.709 -0.619 708 H THR 202 HN THR 202 13.926 7.692 -4.663 709 HA THR 202 HA THR 202 15.105 6.517 -7.085 710 HB THR 202 HB THR 202 14.647 9.449 -6.535 711 HG1 THR 202 HG1 THR 202 12.684 8.145 -6.537 712 1HG2 THR 202 HG21 THR 202 15.017 9.855 -8.760 713 2HG2 THR 202 HG22 THR 202 14.680 8.190 -9.233 714 3HG2 THR 202 HG23 THR 202 16.198 8.588 -8.429 715 H GLU 203 HN GLU 203 17.234 6.333 -7.258 716 HA GLU 203 HA GLU 203 19.004 8.208 -5.929 717 1HB GLU 203 HB2 GLU 203 20.341 6.300 -4.939 718 2HB GLU 203 HB1 GLU 203 18.809 6.653 -4.151 719 1HG GLU 203 HG2 GLU 203 18.056 4.785 -5.975 720 2HG GLU 203 HG1 GLU 203 19.691 4.255 -5.578 721 H GLU 204 HN GLU 204 18.340 7.504 -8.678 722 HA GLU 204 HA GLU 204 20.746 6.162 -9.643 723 1HB GLU 204 HB2 GLU 204 19.612 6.431 -11.890 724 2HB GLU 204 HB1 GLU 204 18.780 5.405 -10.729 725 1HG GLU 204 HG2 GLU 204 17.150 7.045 -10.293 726 2HG GLU 204 HG1 GLU 204 18.091 8.303 -11.095
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