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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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4663 |
1fh3 ![]() ![]() |
4853 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H VAL 1 HT1 VAL 1 7.297 12.205 6.319 2 2H VAL 1 HT2 VAL 1 5.746 12.483 5.697 3 3H VAL 1 HT3 VAL 1 7.095 12.558 4.668 4 HA VAL 1 HA VAL 1 5.826 10.571 4.379 5 HB VAL 1 HB VAL 1 7.625 8.883 4.625 6 1HG1 VAL 1 HG11 VAL 1 8.588 11.621 3.565 7 2HG1 VAL 1 HG12 VAL 1 7.570 10.421 2.678 8 3HG1 VAL 1 HG13 VAL 1 9.257 10.005 3.136 9 1HG2 VAL 1 HG21 VAL 1 9.244 11.118 6.036 10 2HG2 VAL 1 HG22 VAL 1 9.806 9.459 5.615 11 3HG2 VAL 1 HG23 VAL 1 8.548 9.678 6.874 12 H ARG 2 HN ARG 2 5.701 8.103 5.388 13 HA ARG 2 HA ARG 2 5.336 8.151 8.198 14 1HB ARG 2 HB2 ARG 2 3.048 7.523 8.304 15 2HB ARG 2 HB1 ARG 2 3.055 8.972 7.253 16 1HG ARG 2 HG2 ARG 2 2.751 6.029 6.391 17 2HG ARG 2 HG1 ARG 2 1.449 7.231 6.531 18 1HD ARG 2 HD2 ARG 2 2.139 8.451 4.572 19 2HD ARG 2 HD1 ARG 2 3.751 7.640 4.517 20 HE ARG 2 HE ARG 2 1.248 6.586 3.409 21 1HH1 ARG 2 HH11 ARG 2 4.424 5.687 4.844 22 2HH1 ARG 2 HH12 ARG 2 4.475 4.133 4.089 23 1HH2 ARG 2 HH21 ARG 2 1.365 4.435 2.436 24 2HH2 ARG 2 HH22 ARG 2 2.749 3.429 2.715 25 H ASP 3 HN ASP 3 4.389 5.513 8.431 26 HA ASP 3 HA ASP 3 5.622 3.967 6.331 27 1HB ASP 3 HB2 ASP 3 5.849 3.307 9.362 28 2HB ASP 3 HB1 ASP 3 6.430 2.297 7.993 29 H GLY 4 HN GLY 4 3.965 2.350 5.759 30 1HA GLY 4 HA2 GLY 4 1.764 2.045 7.553 31 2HA GLY 4 HA1 GLY 4 1.471 3.147 6.134 32 H TYR 5 HN TYR 5 -0.104 0.955 6.257 33 HA TYR 5 HA TYR 5 0.908 -1.087 4.474 34 1HB TYR 5 HB2 TYR 5 -1.913 -0.252 5.439 35 2HB TYR 5 HB1 TYR 5 -1.668 -1.510 4.173 36 HD1 TYR 5 HD1 TYR 5 -0.371 -3.545 4.674 37 HD2 TYR 5 HD2 TYR 5 -1.430 -0.738 7.751 38 HE1 TYR 5 HE1 TYR 5 0.021 -5.265 6.372 39 HE2 TYR 5 HE2 TYR 5 -1.045 -2.472 9.469 40 HH TYR 5 HH TYR 5 -1.037 -5.776 8.600 41 H ILE 6 HN ILE 6 0.822 -0.827 2.185 42 HA ILE 6 HA ILE 6 -0.272 1.763 1.352 43 HB ILE 6 HB ILE 6 2.033 1.428 0.642 44 1HG1 ILE 6 HG12 ILE 6 -0.185 1.806 -1.455 45 2HG1 ILE 6 HG11 ILE 6 0.599 3.060 -0.447 46 1HG2 ILE 6 HG21 ILE 6 2.527 -0.150 -1.200 47 2HG2 ILE 6 HG22 ILE 6 0.844 -0.772 -1.167 48 3HG2 ILE 6 HG23 ILE 6 1.942 -1.020 0.251 49 1HD1 ILE 6 HD11 ILE 6 2.764 2.620 -1.740 50 2HD1 ILE 6 HD12 ILE 6 1.390 3.131 -2.786 51 3HD1 ILE 6 HD13 ILE 6 1.871 1.402 -2.730 52 H ALA 7 HN ALA 7 -1.936 1.865 0.059 53 HA ALA 7 HA ALA 7 -3.297 -0.592 -0.736 54 1HB ALA 7 HB1 ALA 7 -4.359 2.314 -0.566 55 2HB ALA 7 HB2 ALA 7 -4.759 1.006 0.587 56 3HB ALA 7 HB3 ALA 7 -5.320 0.874 -1.087 57 H GLN 8 HN GLN 8 -4.596 1.893 -2.465 58 HA GLN 8 HA GLN 8 -2.766 2.131 -4.572 59 1HB GLN 8 HB2 GLN 8 -5.678 1.053 -4.825 60 2HB GLN 8 HB1 GLN 8 -4.666 1.559 -6.216 61 1HG GLN 8 HG2 GLN 8 -3.150 -0.335 -5.872 62 2HG GLN 8 HG1 GLN 8 -3.955 -0.801 -4.340 63 1HE2 GLN 8 HE22 GLN 8 -5.854 -2.080 -4.425 64 2HE2 GLN 8 HE21 GLN 8 -6.622 -2.568 -5.916 65 HA PRO 9 HA PRO 9 -5.050 5.801 -3.448 66 1HB PRO 9 HB2 PRO 9 -5.095 6.514 -6.439 67 2HB PRO 9 HB1 PRO 9 -4.636 7.569 -5.034 68 1HG PRO 9 HG1 PRO 9 -2.681 6.442 -6.541 69 2HG PRO 9 HG2 PRO 9 -2.552 6.377 -4.736 70 1HD PRO 9 HD1 PRO 9 -3.564 4.154 -6.611 71 2HD PRO 9 HD2 PRO 9 -2.373 4.058 -5.235 72 H GLU 10 HN GLU 10 -8.518 4.874 -3.875 73 HA GLU 10 HA GLU 10 -6.418 5.221 -2.025 74 1HB GLU 10 HB2 GLU 10 -8.775 7.199 -2.422 75 2HB GLU 10 HB1 GLU 10 -8.095 6.889 -0.801 76 1HG GLU 10 HG2 GLU 10 -6.566 8.092 -3.201 77 2HG GLU 10 HG1 GLU 10 -7.235 9.007 -1.804 78 H ASN 11 HN ASN 11 -7.474 4.428 -0.003 79 HA ASN 11 HA ASN 11 -9.042 3.558 1.244 80 1HB ASN 11 HB2 ASN 11 -10.414 5.455 0.212 81 2HB ASN 11 HB1 ASN 11 -11.129 4.254 -0.896 82 1HD2 ASN 11 HD21 ASN 11 -11.749 2.167 0.769 83 2HD2 ASN 11 HD22 ASN 11 -12.943 2.622 1.971 84 H CYS 12 HN CYS 12 -7.499 2.055 -0.594 85 HA CYS 12 HA CYS 12 -9.227 -0.292 -1.162 86 1HB CYS 12 HB2 CYS 12 -6.702 0.657 -2.662 87 2HB CYS 12 HB1 CYS 12 -7.591 -0.858 -3.024 88 H VAL 13 HN VAL 13 -6.861 -1.966 -1.791 89 HA VAL 13 HA VAL 13 -4.958 -1.642 0.216 90 HB VAL 13 HB VAL 13 -4.806 -4.227 0.361 91 1HG1 VAL 13 HG11 VAL 13 -5.272 -2.954 2.358 92 2HG1 VAL 13 HG12 VAL 13 -6.326 -4.398 2.331 93 3HG1 VAL 13 HG13 VAL 13 -7.004 -2.764 1.924 94 1HG2 VAL 13 HG21 VAL 13 -7.796 -4.073 -0.401 95 2HG2 VAL 13 HG22 VAL 13 -6.903 -5.510 0.225 96 3HG2 VAL 13 HG23 VAL 13 -6.456 -4.820 -1.372 97 H TYR 14 HN TYR 14 -3.130 -3.081 -0.964 98 HA TYR 14 HA TYR 14 -3.737 -3.385 -3.819 99 1HB TYR 14 HB2 TYR 14 -1.272 -2.490 -2.444 100 2HB TYR 14 HB1 TYR 14 -0.934 -4.075 -3.183 101 HD1 TYR 14 HD1 TYR 14 0.072 -1.153 -3.817 102 HD2 TYR 14 HD2 TYR 14 -2.669 -3.873 -5.733 103 HE1 TYR 14 HE1 TYR 14 0.503 -0.072 -5.979 104 HE2 TYR 14 HE2 TYR 14 -2.254 -2.778 -7.883 105 HH TYR 14 HH TYR 14 -1.363 -0.902 -8.901 106 H HIS 15 HN HIS 15 -1.945 -5.779 -4.083 107 HA HIS 15 HA HIS 15 -2.697 -7.399 -1.840 108 1HB HIS 15 HB2 HIS 15 -3.318 -8.134 -4.778 109 2HB HIS 15 HB1 HIS 15 -3.080 -9.355 -3.468 110 HD1 HIS 15 HD1 HIS 15 -5.798 -9.274 -4.865 111 HD2 HIS 15 HD2 HIS 15 -4.950 -7.159 -1.342 112 HE1 HIS 15 HE1 HIS 15 -8.003 -8.864 -3.660 113 HE2 HIS 15 HE2 HIS 15 -7.437 -7.552 -1.577 114 H CYS 16 HN CYS 16 -0.928 -9.105 -1.883 115 HA CYS 16 HA CYS 16 1.430 -7.906 -3.120 116 1HB CYS 16 HB2 CYS 16 1.180 -7.640 -0.480 117 2HB CYS 16 HB1 CYS 16 1.353 -9.404 -0.413 118 H PHE 17 HN PHE 17 3.064 -9.692 -3.321 119 HA PHE 17 HA PHE 17 1.772 -12.235 -3.919 120 1HB PHE 17 HB2 PHE 17 4.444 -11.224 -5.084 121 2HB PHE 17 HB1 PHE 17 3.317 -12.466 -5.730 122 HD1 PHE 17 HD1 PHE 17 4.032 -8.866 -5.332 123 HD2 PHE 17 HD2 PHE 17 1.264 -11.698 -7.016 124 HE1 PHE 17 HE1 PHE 17 2.954 -7.050 -6.621 125 HE2 PHE 17 HE2 PHE 17 0.182 -9.873 -8.275 126 HZ PHE 17 HZ PHE 17 1.009 -7.546 -8.073 127 HA PRO 18 HA PRO 18 4.156 -12.433 -0.110 128 1HB PRO 18 HB2 PRO 18 3.724 -15.432 -0.689 129 2HB PRO 18 HB1 PRO 18 3.760 -14.643 0.944 130 1HG PRO 18 HG1 PRO 18 1.346 -15.089 -0.273 131 2HG PRO 18 HG2 PRO 18 1.664 -13.475 0.488 132 1HD PRO 18 HD1 PRO 18 1.647 -14.169 -2.467 133 2HD PRO 18 HD2 PRO 18 1.239 -12.623 -1.600 134 H GLY 19 HN GLY 19 6.375 -12.378 0.301 135 1HA GLY 19 HA2 GLY 19 8.549 -13.421 -0.365 136 2HA GLY 19 HA1 GLY 19 7.943 -13.099 -2.054 137 H SER 20 HN SER 20 6.537 -10.945 -1.938 138 HA SER 20 HA SER 20 6.322 -8.801 -1.110 139 1HB SER 20 HB2 SER 20 9.377 -8.483 -1.034 140 2HB SER 20 HB1 SER 20 8.142 -7.205 -0.692 141 HG SER 20 HG SER 20 8.667 -9.617 0.665 142 H SER 21 HN SER 21 8.244 -10.476 -3.428 143 HA SER 21 HA SER 21 9.747 -8.896 -4.597 144 1HB SER 21 HB2 SER 21 7.940 -10.779 -6.222 145 2HB SER 21 HB1 SER 21 9.672 -10.376 -6.535 146 HG SER 21 HG SER 21 9.269 -12.393 -5.414 147 H GLY 22 HN GLY 22 6.435 -9.169 -6.073 148 1HA GLY 22 HA2 GLY 22 7.051 -7.129 -7.904 149 2HA GLY 22 HA1 GLY 22 5.433 -7.826 -7.535 150 H CYS 23 HN CYS 23 5.483 -7.079 -4.684 151 HA CYS 23 HA CYS 23 4.219 -4.574 -5.272 152 1HB CYS 23 HB2 CYS 23 3.478 -6.585 -3.574 153 2HB CYS 23 HB1 CYS 23 4.304 -5.526 -2.401 154 H ASP 24 HN ASP 24 7.088 -5.761 -3.623 155 HA ASP 24 HA ASP 24 7.943 -3.417 -2.413 156 1HB ASP 24 HB2 ASP 24 9.013 -5.719 -2.176 157 2HB ASP 24 HB1 ASP 24 9.679 -5.541 -3.836 158 H THR 25 HN THR 25 8.549 -4.620 -5.840 159 HA THR 25 HA THR 25 9.863 -2.261 -6.567 160 HB THR 25 HB THR 25 9.126 -3.001 -8.980 161 HG1 THR 25 HG1 THR 25 7.548 -4.617 -7.816 162 1HG2 THR 25 HG21 THR 25 10.868 -4.812 -7.158 163 2HG2 THR 25 HG22 THR 25 11.415 -3.257 -7.888 164 3HG2 THR 25 HG23 THR 25 10.988 -4.638 -8.949 165 H LEU 26 HN LEU 26 6.333 -3.012 -6.508 166 HA LEU 26 HA LEU 26 5.574 -0.725 -7.942 167 1HB LEU 26 HB2 LEU 26 4.015 -2.105 -5.682 168 2HB LEU 26 HB1 LEU 26 3.376 -0.880 -6.816 169 HG LEU 26 HG LEU 26 4.325 -3.707 -7.525 170 1HD1 LEU 26 HD11 LEU 26 2.118 -3.606 -6.388 171 2HD1 LEU 26 HD12 LEU 26 1.964 -4.116 -8.110 172 3HD1 LEU 26 HD13 LEU 26 1.534 -2.435 -7.624 173 1HD2 LEU 26 HD21 LEU 26 3.521 -3.240 -9.854 174 2HD2 LEU 26 HD22 LEU 26 4.956 -2.256 -9.408 175 3HD2 LEU 26 HD23 LEU 26 3.322 -1.498 -9.426 176 H CYS 27 HN CYS 27 6.127 -1.289 -4.475 177 HA CYS 27 HA CYS 27 5.410 1.222 -3.552 178 1HB CYS 27 HB2 CYS 27 5.981 -0.841 -2.156 179 2HB CYS 27 HB1 CYS 27 7.708 -0.524 -2.475 180 H LYS 28 HN LYS 28 8.597 0.083 -4.792 181 HA LYS 28 HA LYS 28 9.898 2.511 -4.245 182 1HB LYS 28 HB2 LYS 28 10.699 0.257 -6.145 183 2HB LYS 28 HB1 LYS 28 11.694 1.710 -5.797 184 1HG LYS 28 HG2 LYS 28 11.437 1.145 -3.292 185 2HG LYS 28 HG1 LYS 28 10.897 -0.493 -3.807 186 1HD LYS 28 HD2 LYS 28 13.088 -0.924 -4.846 187 2HD LYS 28 HD1 LYS 28 13.521 0.815 -4.773 188 1HE LYS 28 HE2 LYS 28 14.775 -0.375 -3.036 189 2HE LYS 28 HE1 LYS 28 13.585 0.750 -2.274 190 1HZ LYS 28 HZ1 LYS 28 13.689 -1.404 -1.222 191 2HZ LYS 28 HZ2 LYS 28 13.192 -2.176 -2.646 192 3HZ LYS 28 HZ3 LYS 28 12.147 -1.090 -1.859 193 H GLU 29 HN GLU 29 8.107 1.446 -7.207 194 HA GLU 29 HA GLU 29 9.100 3.724 -8.634 195 1HB GLU 29 HB2 GLU 29 7.472 3.230 -10.395 196 2HB GLU 29 HB1 GLU 29 8.471 1.805 -9.956 197 1HG GLU 29 HG2 GLU 29 6.558 0.921 -8.585 198 2HG GLU 29 HG1 GLU 29 5.551 2.329 -9.074 199 H LYS 30 HN LYS 30 6.484 3.267 -6.332 200 HA LYS 30 HA LYS 30 5.202 5.741 -7.170 201 1HB LYS 30 HB2 LYS 30 4.675 3.898 -4.786 202 2HB LYS 30 HB1 LYS 30 3.788 5.433 -5.102 203 1HG LYS 30 HG2 LYS 30 3.111 4.593 -7.360 204 2HG LYS 30 HG1 LYS 30 3.939 3.032 -7.038 205 1HD LYS 30 HD2 LYS 30 2.418 2.665 -5.064 206 2HD LYS 30 HD1 LYS 30 1.548 4.190 -5.458 207 1HE LYS 30 HE2 LYS 30 1.703 1.638 -7.216 208 2HE LYS 30 HE1 LYS 30 0.261 2.272 -6.320 209 1HZ LYS 30 HZ1 LYS 30 1.191 2.880 -8.891 210 2HZ LYS 30 HZ2 LYS 30 1.196 4.307 -7.976 211 3HZ LYS 30 HZ3 LYS 30 -0.228 3.395 -8.116 212 H GLY 31 HN GLY 31 7.327 4.556 -4.495 213 1HA GLY 31 HA2 GLY 31 9.219 6.068 -4.438 214 2HA GLY 31 HA1 GLY 31 8.059 7.399 -4.070 215 H GLY 32 HN GLY 32 8.261 3.979 -2.805 216 1HA GLY 32 HA2 GLY 32 8.775 5.155 -0.148 217 2HA GLY 32 HA1 GLY 32 7.872 3.630 -0.523 218 H THR 33 HN THR 33 10.660 4.400 0.855 219 HA THR 33 HA THR 33 12.507 3.292 -0.971 220 HB THR 33 HB THR 33 13.339 3.895 1.860 221 HG1 THR 33 HG1 THR 33 13.119 6.099 1.474 222 1HG2 THR 33 HG21 THR 33 14.964 3.444 -0.012 223 2HG2 THR 33 HG22 THR 33 15.128 5.146 0.542 224 3HG2 THR 33 HG23 THR 33 14.248 4.774 -0.986 225 H SER 34 HN SER 34 10.297 1.723 1.053 226 HA SER 34 HA SER 34 11.698 -0.629 0.587 227 1HB SER 34 HB2 SER 34 10.901 -0.361 3.552 228 2HB SER 34 HB1 SER 34 11.963 -1.582 2.775 229 HG SER 34 HG SER 34 13.233 0.579 2.332 230 H GLY 35 HN GLY 35 9.903 -2.453 1.266 231 1HA GLY 35 HA2 GLY 35 7.368 -1.527 1.770 232 2HA GLY 35 HA1 GLY 35 7.691 -1.922 -0.003 233 H HIS 36 HN HIS 36 6.111 -3.900 1.348 234 HA HIS 36 HA HIS 36 7.777 -6.131 1.545 235 1HB HIS 36 HB2 HIS 36 6.368 -5.168 4.135 236 2HB HIS 36 HB1 HIS 36 7.172 -6.753 3.912 237 HD1 HIS 36 HD1 HIS 36 7.760 -3.759 5.592 238 HD2 HIS 36 HD2 HIS 36 10.192 -6.185 3.174 239 HE1 HIS 36 HE1 HIS 36 10.175 -3.297 6.231 240 HE2 HIS 36 HE2 HIS 36 11.597 -4.756 4.730 241 H CYS 37 HN CYS 37 5.783 -7.731 2.737 242 HA CYS 37 HA CYS 37 3.268 -6.966 1.409 243 1HB CYS 37 HB2 CYS 37 4.149 -9.655 2.671 244 2HB CYS 37 HB1 CYS 37 2.525 -9.330 1.992 245 H GLY 38 HN GLY 38 1.246 -7.674 3.027 246 1HA GLY 38 HA2 GLY 38 1.906 -8.209 5.621 247 2HA GLY 38 HA1 GLY 38 1.484 -6.444 5.417 248 H PHE 39 HN PHE 39 -0.564 -7.587 6.773 249 HA PHE 39 HA PHE 39 -2.576 -8.066 4.759 250 1HB PHE 39 HB2 PHE 39 -1.837 -10.339 5.929 251 2HB PHE 39 HB1 PHE 39 -2.448 -9.621 7.458 252 HD1 PHE 39 HD1 PHE 39 -4.935 -9.096 7.630 253 HD2 PHE 39 HD2 PHE 39 -3.284 -11.217 4.282 254 HE1 PHE 39 HE1 PHE 39 -7.167 -9.992 7.089 255 HE2 PHE 39 HE2 PHE 39 -5.511 -12.108 3.739 256 HZ PHE 39 HZ PHE 39 -7.472 -11.519 5.157 257 H LYS 40 HN LYS 40 -4.437 -6.836 5.501 258 HA LYS 40 HA LYS 40 -4.104 -5.557 8.130 259 1HB LYS 40 HB2 LYS 40 -3.658 -3.773 6.368 260 2HB LYS 40 HB1 LYS 40 -5.203 -4.223 5.574 261 1HG LYS 40 HG2 LYS 40 -5.628 -2.222 6.863 262 2HG LYS 40 HG1 LYS 40 -6.419 -3.584 7.721 263 1HD LYS 40 HD2 LYS 40 -3.989 -3.585 9.020 264 2HD LYS 40 HD1 LYS 40 -4.048 -1.875 8.529 265 1HE LYS 40 HE2 LYS 40 -6.153 -3.422 10.210 266 2HE LYS 40 HE1 LYS 40 -5.002 -2.165 10.813 267 1HZ LYS 40 HZ1 LYS 40 -6.125 -0.554 9.413 268 2HZ LYS 40 HZ2 LYS 40 -7.207 -1.309 10.477 269 3HZ LYS 40 HZ3 LYS 40 -7.185 -1.748 8.835 270 H VAL 41 HN VAL 41 -5.657 -6.696 9.276 271 HA VAL 41 HA VAL 41 -7.749 -7.964 7.896 272 HB VAL 41 HB VAL 41 -7.879 -7.488 10.898 273 1HG1 VAL 41 HG11 VAL 41 -9.789 -8.633 9.740 274 2HG1 VAL 41 HG12 VAL 41 -8.876 -9.808 10.759 275 3HG1 VAL 41 HG13 VAL 41 -8.648 -9.804 8.975 276 1HG2 VAL 41 HG21 VAL 41 -6.034 -9.496 9.435 277 2HG2 VAL 41 HG22 VAL 41 -6.463 -9.561 11.177 278 3HG2 VAL 41 HG23 VAL 41 -5.523 -8.172 10.558 279 H GLY 42 HN GLY 42 -9.734 -7.129 7.332 280 1HA GLY 42 HA2 GLY 42 -11.350 -5.301 8.182 281 2HA GLY 42 HA1 GLY 42 -9.907 -4.293 7.688 282 H HIS 43 HN HIS 43 -8.939 -4.728 5.547 283 HA HIS 43 HA HIS 43 -11.033 -5.349 3.602 284 1HB HIS 43 HB2 HIS 43 -8.220 -4.190 3.392 285 2HB HIS 43 HB1 HIS 43 -9.103 -4.792 1.939 286 HD1 HIS 43 HD1 HIS 43 -8.791 -2.374 1.064 287 HD2 HIS 43 HD2 HIS 43 -11.446 -2.705 4.297 288 HE1 HIS 43 HE1 HIS 43 -10.162 -0.261 1.102 289 HE2 HIS 43 HE2 HIS 43 -11.753 -0.485 3.084 290 H GLY 44 HN GLY 44 -7.514 -6.397 4.294 291 1HA GLY 44 HA2 GLY 44 -7.821 -8.970 4.262 292 2HA GLY 44 HA1 GLY 44 -8.019 -8.583 2.500 293 H LEU 45 HN LEU 45 -6.174 -9.289 1.670 294 HA LEU 45 HA LEU 45 -3.611 -9.086 2.782 295 1HB LEU 45 HB2 LEU 45 -4.876 -10.468 0.712 296 2HB LEU 45 HB1 LEU 45 -3.992 -9.252 -0.245 297 HG LEU 45 HG LEU 45 -2.822 -11.284 1.771 298 1HD1 LEU 45 HD11 LEU 45 -3.787 -12.304 -0.325 299 2HD1 LEU 45 HD12 LEU 45 -2.009 -12.544 -0.170 300 3HD1 LEU 45 HD13 LEU 45 -2.662 -11.315 -1.316 301 1HD2 LEU 45 HD21 LEU 45 -1.264 -9.377 1.686 302 2HD2 LEU 45 HD22 LEU 45 -1.331 -9.348 -0.110 303 3HD2 LEU 45 HD23 LEU 45 -0.580 -10.741 0.733 304 H ALA 46 HN ALA 46 -1.852 -7.377 2.157 305 HA ALA 46 HA ALA 46 -2.784 -5.258 0.492 306 1HB ALA 46 HB1 ALA 46 -2.485 -3.486 2.232 307 2HB ALA 46 HB2 ALA 46 -2.166 -4.761 3.482 308 3HB ALA 46 HB3 ALA 46 -3.787 -4.622 2.728 309 H CYS 47 HN CYS 47 -0.628 -3.462 1.043 310 HA CYS 47 HA CYS 47 1.670 -5.289 1.212 311 1HB CYS 47 HB2 CYS 47 1.458 -2.955 -0.774 312 2HB CYS 47 HB1 CYS 47 2.918 -3.957 -0.466 313 H TRP 48 HN TRP 48 3.635 -3.404 1.492 314 HA TRP 48 HA TRP 48 2.563 -1.513 3.453 315 1HB TRP 48 HB2 TRP 48 3.266 -3.541 4.737 316 2HB TRP 48 HB1 TRP 48 4.830 -3.546 3.858 317 HD1 TRP 48 HD1 TRP 48 6.610 -1.647 4.593 318 HE1 TRP 48 HE1 TRP 48 6.831 -0.063 6.608 319 HE3 TRP 48 HE3 TRP 48 2.071 -2.558 6.643 320 HZ2 TRP 48 HZ2 TRP 48 5.322 0.409 9.028 321 HZ3 TRP 48 HZ3 TRP 48 1.520 -1.586 8.846 322 HH2 TRP 48 HH2 TRP 48 3.113 -0.110 10.020 323 H CYS 49 HN CYS 49 3.995 0.374 3.613 324 HA CYS 49 HA CYS 49 6.283 0.375 1.844 325 1HB CYS 49 HB2 CYS 49 3.972 2.398 1.583 326 2HB CYS 49 HB1 CYS 49 5.661 2.849 1.214 327 H ASN 50 HN ASN 50 7.943 1.499 2.709 328 HA ASN 50 HA ASN 50 7.436 3.002 5.198 329 1HB ASN 50 HB2 ASN 50 9.866 1.431 4.148 330 2HB ASN 50 HB1 ASN 50 10.169 2.928 5.089 331 1HD2 ASN 50 HD22 ASN 50 11.278 1.469 6.622 332 2HD2 ASN 50 HD21 ASN 50 10.317 0.779 7.897 333 H ALA 51 HN ALA 51 7.839 5.186 5.019 334 HA ALA 51 HA ALA 51 8.473 7.068 4.342 335 1HB ALA 51 HB1 ALA 51 10.713 5.703 2.796 336 2HB ALA 51 HB2 ALA 51 10.792 6.280 4.503 337 3HB ALA 51 HB3 ALA 51 10.628 7.462 3.157 338 H LEU 52 HN LEU 52 6.354 6.052 3.043 339 HA LEU 52 HA LEU 52 6.522 6.999 0.324 340 1HB LEU 52 HB2 LEU 52 4.683 5.291 1.698 341 2HB LEU 52 HB1 LEU 52 3.806 6.765 1.442 342 HG LEU 52 HG LEU 52 4.083 6.788 -0.924 343 1HD1 LEU 52 HD11 LEU 52 4.820 4.804 -2.240 344 2HD1 LEU 52 HD12 LEU 52 5.529 4.076 -0.749 345 3HD1 LEU 52 HD13 LEU 52 6.135 5.651 -1.376 346 1HD2 LEU 52 HD21 LEU 52 2.991 4.084 0.058 347 2HD2 LEU 52 HD22 LEU 52 2.487 4.991 -1.416 348 3HD2 LEU 52 HD23 LEU 52 2.133 5.669 0.220 349 HA PRO 53 HA PRO 53 5.511 11.031 2.118 350 1HB PRO 53 HB2 PRO 53 4.635 11.589 -0.781 351 2HB PRO 53 HB1 PRO 53 5.624 12.651 0.300 352 1HG PRO 53 HG1 PRO 53 6.841 11.196 -1.663 353 2HG PRO 53 HG2 PRO 53 7.574 11.205 -0.001 354 1HD PRO 53 HD1 PRO 53 5.734 9.070 -1.235 355 2HD PRO 53 HD2 PRO 53 7.290 8.852 -0.337 356 H ASP 54 HN ASP 54 3.526 12.463 2.328 357 HA ASP 54 HA ASP 54 1.252 10.784 2.663 358 1HB ASP 54 HB2 ASP 54 1.691 13.800 3.080 359 2HB ASP 54 HB1 ASP 54 0.262 12.869 3.688 360 H ASN 55 HN ASN 55 2.394 12.559 0.033 361 HA ASN 55 HA ASN 55 -0.259 13.053 -1.072 362 1HB ASN 55 HB2 ASN 55 0.955 13.996 -3.052 363 2HB ASN 55 HB1 ASN 55 1.423 14.802 -1.523 364 1HD2 ASN 55 HD22 ASN 55 2.535 12.368 -3.961 365 2HD2 ASN 55 HD21 ASN 55 4.230 12.628 -3.658 366 H VAL 56 HN VAL 56 1.015 10.244 -0.390 367 HA VAL 56 HA VAL 56 0.104 9.058 -2.838 368 HB VAL 56 HB VAL 56 2.220 7.657 -1.171 369 1HG1 VAL 56 HG11 VAL 56 2.750 6.560 -3.339 370 2HG1 VAL 56 HG12 VAL 56 1.664 7.697 -4.221 371 3HG1 VAL 56 HG13 VAL 56 0.977 6.500 -3.056 372 1HG2 VAL 56 HG21 VAL 56 2.959 9.858 -3.199 373 2HG2 VAL 56 HG22 VAL 56 4.098 8.613 -2.553 374 3HG2 VAL 56 HG23 VAL 56 3.359 9.802 -1.447 375 H GLY 57 HN GLY 57 -0.966 6.760 -1.652 376 1HA GLY 57 HA2 GLY 57 -1.267 7.261 1.133 377 2HA GLY 57 HA1 GLY 57 -2.659 7.841 0.094 378 H ILE 58 HN ILE 58 -3.727 6.080 1.524 379 HA ILE 58 HA ILE 58 -2.660 3.430 0.967 380 HB ILE 58 HB ILE 58 -2.325 3.178 3.420 381 1HG1 ILE 58 HG12 ILE 58 -2.731 6.229 3.639 382 2HG1 ILE 58 HG11 ILE 58 -3.924 5.011 4.202 383 1HG2 ILE 58 HG21 ILE 58 -0.524 3.902 1.725 384 2HG2 ILE 58 HG22 ILE 58 -0.232 4.153 3.479 385 3HG2 ILE 58 HG23 ILE 58 -0.672 5.552 2.442 386 1HD1 ILE 58 HD11 ILE 58 -1.006 5.299 5.190 387 2HD1 ILE 58 HD12 ILE 58 -2.135 3.970 5.663 388 3HD1 ILE 58 HD13 ILE 58 -2.521 5.676 6.106 389 H ILE 59 HN ILE 59 -3.935 2.490 3.512 390 HA ILE 59 HA ILE 59 -6.453 1.772 2.430 391 HB ILE 59 HB ILE 59 -5.646 1.343 5.348 392 1HG1 ILE 59 HG12 ILE 59 -3.561 0.741 4.329 393 2HG1 ILE 59 HG11 ILE 59 -4.462 -0.705 4.876 394 1HG2 ILE 59 HG21 ILE 59 -7.165 -0.377 3.268 395 2HG2 ILE 59 HG22 ILE 59 -7.915 0.648 4.539 396 3HG2 ILE 59 HG23 ILE 59 -6.928 -0.781 5.004 397 1HD1 ILE 59 HD11 ILE 59 -3.710 -1.489 2.825 398 2HD1 ILE 59 HD12 ILE 59 -3.704 0.138 2.079 399 3HD1 ILE 59 HD13 ILE 59 -5.263 -0.747 2.279 400 H VAL 60 HN VAL 60 -8.528 2.734 3.139 401 HA VAL 60 HA VAL 60 -8.501 4.562 5.293 402 HB VAL 60 HB VAL 60 -9.576 5.373 2.504 403 1HG1 VAL 60 HG11 VAL 60 -9.087 7.012 5.073 404 2HG1 VAL 60 HG12 VAL 60 -10.692 6.408 4.482 405 3HG1 VAL 60 HG13 VAL 60 -9.778 7.619 3.518 406 1HG2 VAL 60 HG21 VAL 60 -7.732 7.027 2.273 407 2HG2 VAL 60 HG22 VAL 60 -7.126 5.344 2.197 408 3HG2 VAL 60 HG23 VAL 60 -6.897 6.311 3.702 409 H GLU 61 HN GLU 61 -11.123 4.634 5.655 410 HA GLU 61 HA GLU 61 -12.512 3.251 3.701 411 1HB GLU 61 HB2 GLU 61 -12.110 1.306 5.223 412 2HB GLU 61 HB1 GLU 61 -12.750 2.270 6.606 413 1HG GLU 61 HG2 GLU 61 -14.441 0.639 5.704 414 2HG GLU 61 HG1 GLU 61 -15.007 2.331 5.482 415 H GLY 62 HN GLY 62 -14.699 4.132 3.907 416 1HA GLY 62 HA2 GLY 62 -15.726 6.018 5.376 417 2HA GLY 62 HA1 GLY 62 -14.336 6.875 4.555 418 H GLU 63 HN GLU 63 -14.083 5.361 2.218 419 HA GLU 63 HA GLU 63 -16.606 6.021 0.876 420 1HB GLU 63 HB2 GLU 63 -14.188 6.975 0.345 421 2HB GLU 63 HB1 GLU 63 -13.958 5.516 -0.588 422 1HG GLU 63 HG2 GLU 63 -16.306 7.513 -0.909 423 2HG GLU 63 HG1 GLU 63 -14.835 7.463 -1.943 424 H LYS 64 HN LYS 64 -14.083 3.762 -0.325 425 HA LYS 64 HA LYS 64 -14.824 1.343 0.132 426 1HB LYS 64 HB2 LYS 64 -17.052 2.414 -1.389 427 2HB LYS 64 HB1 LYS 64 -15.987 1.740 -2.640 428 1HG LYS 64 HG2 LYS 64 -17.673 0.110 -1.965 429 2HG LYS 64 HG1 LYS 64 -16.067 -0.509 -1.459 430 1HD LYS 64 HD2 LYS 64 -16.502 0.207 0.887 431 2HD LYS 64 HD1 LYS 64 -18.014 1.032 0.374 432 1HE LYS 64 HE2 LYS 64 -19.022 -1.194 -0.243 433 2HE LYS 64 HE1 LYS 64 -17.501 -2.023 0.298 434 1HZ LYS 64 HZ1 LYS 64 -19.262 -0.317 1.990 435 2HZ LYS 64 HZ2 LYS 64 -17.850 -1.111 2.489 436 3HZ LYS 64 HZ3 LYS 64 -19.203 -2.014 1.989 437 H CYS 65 HN CYS 65 -13.891 0.321 -2.300 438 HA CYS 65 HA CYS 65 -11.418 1.812 -2.425 439 1HB CYS 65 HB2 CYS 65 -11.170 -0.556 -2.154 440 2HB CYS 65 HB1 CYS 65 -12.310 -0.909 -3.464 441 H HIS 66 HN HIS 66 -10.448 2.485 -4.373 442 HA HIS 66 HA HIS 66 -12.349 3.410 -6.427 443 1HB HIS 66 HB2 HIS 66 -9.655 4.588 -5.538 444 2HB HIS 66 HB1 HIS 66 -10.797 5.320 -6.729 445 HD1 HIS 66 HD1 HIS 66 -9.841 6.972 -4.577 446 HD2 HIS 66 HD2 HIS 66 -13.163 4.502 -3.908 447 HE1 HIS 66 HE1 HIS 66 -11.052 7.874 -2.552 448 HE2 HIS 66 HE2 HIS 66 -13.098 6.401 -2.232 449 H SER 67 HN SER 67 -9.533 4.169 -7.586 450 HA SER 67 HA SER 67 -9.038 2.069 -9.305 451 1HB SER 67 HB2 SER 67 -6.674 3.586 -9.155 452 2HB SER 67 HB1 SER 67 -8.121 4.019 -10.136 453 HG SER 67 HG SER 67 -7.482 4.935 -7.496 454 1HN NH2 68 H1 NH2 68 -6.566 -0.022 -7.796 455 2HN NH2 68 H2 NH2 68 -7.686 0.265 -9.089 Start of MODEL 2 1 1H VAL 1 HT1 VAL 1 6.022 13.218 4.460 2 2H VAL 1 HT2 VAL 1 7.540 12.719 3.864 3 3H VAL 1 HT3 VAL 1 7.170 12.565 5.522 4 HA VAL 1 HA VAL 1 5.654 11.221 3.413 5 HB VAL 1 HB VAL 1 6.887 9.102 4.094 6 1HG1 VAL 1 HG11 VAL 1 7.489 10.365 2.066 7 2HG1 VAL 1 HG12 VAL 1 8.922 9.573 2.810 8 3HG1 VAL 1 HG13 VAL 1 8.682 11.348 2.999 9 1HG2 VAL 1 HG21 VAL 1 7.654 9.835 6.394 10 2HG2 VAL 1 HG22 VAL 1 8.775 11.025 5.637 11 3HG2 VAL 1 HG23 VAL 1 9.007 9.261 5.368 12 H ARG 2 HN ARG 2 5.049 8.844 4.884 13 HA ARG 2 HA ARG 2 4.668 9.263 7.551 14 1HB ARG 2 HB2 ARG 2 2.231 8.888 7.690 15 2HB ARG 2 HB1 ARG 2 2.540 10.481 6.939 16 1HG ARG 2 HG2 ARG 2 1.753 7.901 5.468 17 2HG ARG 2 HG1 ARG 2 0.624 9.206 5.949 18 1HD ARG 2 HD2 ARG 2 1.559 10.808 4.369 19 2HD ARG 2 HD1 ARG 2 2.928 9.737 3.952 20 HE ARG 2 HE ARG 2 0.313 9.599 2.747 21 1HH1 ARG 2 HH21 ARG 2 2.913 7.464 3.961 22 2HH1 ARG 2 HH22 ARG 2 2.858 6.408 2.588 23 1HH2 ARG 2 HH11 ARG 2 0.344 8.267 0.884 24 2HH2 ARG 2 HH12 ARG 2 1.384 6.884 0.808 25 H ASP 3 HN ASP 3 3.323 6.776 7.883 26 HA ASP 3 HA ASP 3 4.657 5.062 5.923 27 1HB ASP 3 HB2 ASP 3 4.416 4.456 8.950 28 2HB ASP 3 HB1 ASP 3 5.351 3.542 7.714 29 H GLY 4 HN GLY 4 3.019 3.210 5.474 30 1HA GLY 4 HA2 GLY 4 0.796 3.146 7.189 31 2HA GLY 4 HA1 GLY 4 0.481 3.960 5.582 32 H TYR 5 HN TYR 5 -0.867 1.679 5.829 33 HA TYR 5 HA TYR 5 0.684 -0.434 4.575 34 1HB TYR 5 HB2 TYR 5 -2.270 -0.039 5.328 35 2HB TYR 5 HB1 TYR 5 -1.793 -1.305 4.137 36 HD1 TYR 5 HD1 TYR 5 -0.668 -3.274 4.792 37 HD2 TYR 5 HD2 TYR 5 -1.476 -0.208 7.693 38 HE1 TYR 5 HE1 TYR 5 -0.382 -4.895 6.595 39 HE2 TYR 5 HE2 TYR 5 -1.199 -1.853 9.513 40 HH TYR 5 HH TYR 5 -1.299 -5.275 8.772 41 H ILE 6 HN ILE 6 0.722 -0.581 2.271 42 HA ILE 6 HA ILE 6 -0.059 1.922 1.053 43 HB ILE 6 HB ILE 6 2.137 1.319 0.480 44 1HG1 ILE 6 HG12 ILE 6 0.245 1.017 -1.921 45 2HG1 ILE 6 HG11 ILE 6 0.769 2.563 -1.197 46 1HG2 ILE 6 HG21 ILE 6 0.883 -1.243 -0.679 47 2HG2 ILE 6 HG22 ILE 6 1.960 -1.094 0.764 48 3HG2 ILE 6 HG23 ILE 6 2.601 -0.740 -0.868 49 1HD1 ILE 6 HD11 ILE 6 2.549 0.486 -2.665 50 2HD1 ILE 6 HD12 ILE 6 3.173 1.967 -1.840 51 3HD1 ILE 6 HD13 ILE 6 2.055 2.123 -3.238 52 H ALA 7 HN ALA 7 -1.610 2.254 -0.110 53 HA ALA 7 HA ALA 7 -3.454 0.126 -0.939 54 1HB ALA 7 HB1 ALA 7 -4.143 3.116 -0.583 55 2HB ALA 7 HB2 ALA 7 -4.540 1.859 0.635 56 3HB ALA 7 HB3 ALA 7 -5.293 1.794 -0.959 57 H GLN 8 HN GLN 8 -4.931 1.715 -2.705 58 HA GLN 8 HA GLN 8 -2.998 2.478 -4.766 59 1HB GLN 8 HB2 GLN 8 -6.032 1.906 -5.004 60 2HB GLN 8 HB1 GLN 8 -4.980 2.415 -6.351 61 1HG GLN 8 HG2 GLN 8 -3.911 0.280 -6.507 62 2HG GLN 8 HG1 GLN 8 -4.410 -0.200 -4.844 63 1HE2 GLN 8 HE22 GLN 8 -6.104 -1.585 -4.764 64 2HE2 GLN 8 HE21 GLN 8 -7.341 -1.770 -5.990 65 HA PRO 9 HA PRO 9 -5.127 6.319 -3.436 66 1HB PRO 9 HB2 PRO 9 -4.924 7.274 -6.326 67 2HB PRO 9 HB1 PRO 9 -4.275 8.076 -4.842 68 1HG PRO 9 HG1 PRO 9 -2.601 6.833 -6.674 69 2HG PRO 9 HG2 PRO 9 -2.278 6.789 -4.890 70 1HD PRO 9 HD1 PRO 9 -3.611 4.602 -6.587 71 2HD PRO 9 HD2 PRO 9 -2.300 4.466 -5.316 72 H GLU 10 HN GLU 10 -8.468 5.839 -4.774 73 HA GLU 10 HA GLU 10 -6.826 7.892 -3.505 74 1HB GLU 10 HB2 GLU 10 -9.796 7.308 -3.764 75 2HB GLU 10 HB1 GLU 10 -9.208 8.491 -2.561 76 1HG GLU 10 HG2 GLU 10 -9.850 9.747 -4.517 77 2HG GLU 10 HG1 GLU 10 -8.051 9.790 -4.387 78 H ASN 11 HN ASN 11 -8.786 4.936 -2.673 79 HA ASN 11 HA ASN 11 -7.408 4.596 -0.280 80 1HB ASN 11 HB2 ASN 11 -9.452 5.986 0.549 81 2HB ASN 11 HB1 ASN 11 -10.521 4.928 -0.457 82 1HD2 ASN 11 HD22 ASN 11 -11.609 4.506 1.704 83 2HD2 ASN 11 HD21 ASN 11 -10.801 3.579 2.942 84 H CYS 12 HN CYS 12 -7.598 2.319 -0.217 85 HA CYS 12 HA CYS 12 -9.282 0.599 -1.477 86 1HB CYS 12 HB2 CYS 12 -6.783 1.198 -3.185 87 2HB CYS 12 HB1 CYS 12 -7.647 -0.367 -3.303 88 H VAL 13 HN VAL 13 -6.996 -1.339 -2.002 89 HA VAL 13 HA VAL 13 -5.169 -0.936 0.091 90 HB VAL 13 HB VAL 13 -5.027 -3.410 0.490 91 1HG1 VAL 13 HG11 VAL 13 -7.057 -3.649 2.000 92 2HG1 VAL 13 HG12 VAL 13 -7.694 -2.095 1.328 93 3HG1 VAL 13 HG13 VAL 13 -6.155 -2.133 2.253 94 1HG2 VAL 13 HG21 VAL 13 -7.767 -3.577 -0.924 95 2HG2 VAL 13 HG22 VAL 13 -6.851 -4.918 -0.131 96 3HG2 VAL 13 HG23 VAL 13 -6.204 -4.173 -1.613 97 H TYR 14 HN TYR 14 -3.221 -2.381 -0.883 98 HA TYR 14 HA TYR 14 -3.661 -2.655 -3.766 99 1HB TYR 14 HB2 TYR 14 -1.317 -1.698 -2.294 100 2HB TYR 14 HB1 TYR 14 -0.860 -3.237 -3.079 101 HD1 TYR 14 HD1 TYR 14 -0.476 0.019 -3.574 102 HD2 TYR 14 HD2 TYR 14 -2.282 -3.287 -5.652 103 HE1 TYR 14 HE1 TYR 14 -0.184 1.204 -5.703 104 HE2 TYR 14 HE2 TYR 14 -2.005 -2.108 -7.779 105 HH TYR 14 HH TYR 14 -1.402 -0.126 -8.783 106 H HIS 15 HN HIS 15 -1.661 -4.919 -3.948 107 HA HIS 15 HA HIS 15 -2.697 -6.820 -2.068 108 1HB HIS 15 HB2 HIS 15 -2.764 -7.160 -5.145 109 2HB HIS 15 HB1 HIS 15 -2.569 -8.561 -4.029 110 HD1 HIS 15 HD1 HIS 15 -5.137 -5.693 -3.948 111 HD2 HIS 15 HD2 HIS 15 -4.896 -9.881 -3.935 112 HE1 HIS 15 HE1 HIS 15 -7.498 -6.583 -3.734 113 HE2 HIS 15 HE2 HIS 15 -7.298 -9.115 -3.714 114 H CYS 16 HN CYS 16 -0.873 -8.737 -2.458 115 HA CYS 16 HA CYS 16 1.584 -7.687 -3.278 116 1HB CYS 16 HB2 CYS 16 1.258 -6.696 -0.881 117 2HB CYS 16 HB1 CYS 16 1.034 -8.335 -0.273 118 H PHE 17 HN PHE 17 3.022 -9.885 -2.740 119 HA PHE 17 HA PHE 17 1.192 -12.133 -2.984 120 1HB PHE 17 HB2 PHE 17 3.850 -11.649 -4.522 121 2HB PHE 17 HB1 PHE 17 2.707 -13.022 -4.712 122 HD1 PHE 17 HD1 PHE 17 3.664 -9.819 -5.932 123 HD2 PHE 17 HD2 PHE 17 0.201 -12.293 -5.365 124 HE1 PHE 17 HE1 PHE 17 2.443 -8.498 -7.645 125 HE2 PHE 17 HE2 PHE 17 -1.021 -10.966 -7.050 126 HZ PHE 17 HZ PHE 17 0.101 -9.075 -8.202 127 HA PRO 18 HA PRO 18 3.903 -12.707 0.541 128 1HB PRO 18 HB2 PRO 18 3.451 -15.646 -0.296 129 2HB PRO 18 HB1 PRO 18 3.587 -15.021 1.402 130 1HG PRO 18 HG1 PRO 18 1.140 -15.445 0.194 131 2HG PRO 18 HG2 PRO 18 1.400 -14.009 1.265 132 1HD PRO 18 HD1 PRO 18 1.061 -14.057 -1.714 133 2HD PRO 18 HD2 PRO 18 0.951 -12.671 -0.557 134 H GLY 19 HN GLY 19 6.121 -12.463 0.594 135 1HA GLY 19 HA2 GLY 19 8.267 -13.451 -0.096 136 2HA GLY 19 HA1 GLY 19 7.557 -13.446 -1.778 137 H SER 20 HN SER 20 5.962 -11.239 -1.674 138 HA SER 20 HA SER 20 5.675 -9.158 -1.416 139 1HB SER 20 HB2 SER 20 8.430 -8.585 -0.251 140 2HB SER 20 HB1 SER 20 6.981 -7.519 -0.242 141 HG SER 20 HG SER 20 7.483 -9.936 1.117 142 H SER 21 HN SER 21 7.674 -10.582 -3.559 143 HA SER 21 HA SER 21 9.401 -8.720 -4.479 144 1HB SER 21 HB2 SER 21 8.918 -10.293 -6.687 145 2HB SER 21 HB1 SER 21 9.806 -10.886 -5.243 146 HG SER 21 HG SER 21 8.112 -12.286 -5.866 147 H GLY 22 HN GLY 22 6.032 -9.310 -5.511 148 1HA GLY 22 HA2 GLY 22 6.181 -7.445 -7.638 149 2HA GLY 22 HA1 GLY 22 4.689 -8.127 -6.899 150 H CYS 23 HN CYS 23 4.930 -7.124 -4.205 151 HA CYS 23 HA CYS 23 4.077 -4.471 -4.911 152 1HB CYS 23 HB2 CYS 23 2.858 -5.920 -3.225 153 2HB CYS 23 HB1 CYS 23 4.147 -5.471 -2.055 154 H ASP 24 HN ASP 24 7.033 -5.904 -3.492 155 HA ASP 24 HA ASP 24 8.222 -3.581 -2.612 156 1HB ASP 24 HB2 ASP 24 9.279 -5.873 -2.489 157 2HB ASP 24 HB1 ASP 24 9.557 -5.813 -4.264 158 H THR 25 HN THR 25 7.732 -4.769 -5.951 159 HA THR 25 HA THR 25 9.247 -2.766 -7.209 160 HB THR 25 HB THR 25 6.808 -4.162 -8.364 161 HG1 THR 25 HG1 THR 25 8.221 -5.763 -7.534 162 1HG2 THR 25 HG21 THR 25 9.419 -3.067 -9.635 163 2HG2 THR 25 HG22 THR 25 7.797 -2.285 -9.739 164 3HG2 THR 25 HG23 THR 25 8.073 -3.887 -10.511 165 H LEU 26 HN LEU 26 5.712 -2.978 -6.383 166 HA LEU 26 HA LEU 26 5.001 -0.503 -7.496 167 1HB LEU 26 HB2 LEU 26 3.710 -2.169 -5.271 168 2HB LEU 26 HB1 LEU 26 3.071 -0.573 -5.733 169 HG LEU 26 HG LEU 26 1.740 -2.236 -6.772 170 1HD1 LEU 26 HD11 LEU 26 2.142 -0.089 -8.004 171 2HD1 LEU 26 HD12 LEU 26 1.729 -1.470 -9.084 172 3HD1 LEU 26 HD13 LEU 26 3.429 -0.898 -8.984 173 1HD2 LEU 26 HD21 LEU 26 2.501 -3.808 -8.528 174 2HD2 LEU 26 HD22 LEU 26 3.265 -4.161 -6.946 175 3HD2 LEU 26 HD23 LEU 26 4.215 -3.341 -8.243 176 H CYS 27 HN CYS 27 6.068 -1.464 -4.232 177 HA CYS 27 HA CYS 27 5.780 1.020 -3.046 178 1HB CYS 27 HB2 CYS 27 6.292 -1.333 -1.986 179 2HB CYS 27 HB1 CYS 27 8.008 -0.980 -2.306 180 H LYS 28 HN LYS 28 8.553 -0.397 -4.913 181 HA LYS 28 HA LYS 28 10.272 1.750 -4.232 182 1HB LYS 28 HB2 LYS 28 10.334 -0.365 -6.435 183 2HB LYS 28 HB1 LYS 28 11.639 0.860 -6.284 184 1HG LYS 28 HG2 LYS 28 10.819 -0.928 -3.931 185 2HG LYS 28 HG1 LYS 28 12.002 -1.479 -5.156 186 1HD LYS 28 HD2 LYS 28 13.607 0.161 -4.567 187 2HD LYS 28 HD1 LYS 28 12.433 1.189 -3.678 188 1HE LYS 28 HE2 LYS 28 13.101 -1.677 -2.742 189 2HE LYS 28 HE1 LYS 28 14.082 -0.244 -2.232 190 1HZ LYS 28 HZ1 LYS 28 12.045 -1.092 -0.874 191 2HZ LYS 28 HZ2 LYS 28 11.172 -0.085 -1.935 192 3HZ LYS 28 HZ3 LYS 28 12.425 0.559 -0.994 193 H GLU 29 HN GLU 29 8.025 1.207 -6.998 194 HA GLU 29 HA GLU 29 9.059 3.465 -8.387 195 1HB GLU 29 HB2 GLU 29 7.178 3.283 -9.937 196 2HB GLU 29 HB1 GLU 29 8.004 1.709 -9.681 197 1HG GLU 29 HG2 GLU 29 6.172 1.106 -8.021 198 2HG GLU 29 HG1 GLU 29 5.315 2.622 -8.453 199 H LYS 30 HN LYS 30 6.420 3.046 -5.978 200 HA LYS 30 HA LYS 30 5.626 5.807 -6.370 201 1HB LYS 30 HB2 LYS 30 4.770 3.700 -4.323 202 2HB LYS 30 HB1 LYS 30 4.176 5.396 -4.319 203 1HG LYS 30 HG2 LYS 30 3.728 3.319 -6.542 204 2HG LYS 30 HG1 LYS 30 2.537 3.939 -5.348 205 1HD LYS 30 HD2 LYS 30 3.025 6.312 -6.322 206 2HD LYS 30 HD1 LYS 30 3.804 5.463 -7.700 207 1HE LYS 30 HE2 LYS 30 0.854 5.278 -6.761 208 2HE LYS 30 HE1 LYS 30 1.471 6.022 -8.289 209 1HZ LYS 30 HZ1 LYS 30 2.318 3.691 -8.793 210 2HZ LYS 30 HZ2 LYS 30 0.643 3.970 -8.871 211 3HZ LYS 30 HZ3 LYS 30 1.310 3.169 -7.532 212 H GLY 31 HN GLY 31 8.039 4.143 -4.465 213 1HA GLY 31 HA2 GLY 31 9.843 5.369 -3.836 214 2HA GLY 31 HA1 GLY 31 8.824 6.836 -3.605 215 H GLY 32 HN GLY 32 8.299 3.502 -2.340 216 1HA GLY 32 HA2 GLY 32 8.627 4.540 0.377 217 2HA GLY 32 HA1 GLY 32 7.995 2.940 -0.166 218 H THR 33 HN THR 33 10.223 3.804 1.802 219 HA THR 33 HA THR 33 12.714 3.385 0.693 220 HB THR 33 HB THR 33 12.985 3.236 3.415 221 HG1 THR 33 HG1 THR 33 11.165 4.071 4.403 222 1HG2 THR 33 HG21 THR 33 13.696 5.160 1.957 223 2HG2 THR 33 HG22 THR 33 12.884 5.751 3.446 224 3HG2 THR 33 HG23 THR 33 11.992 5.746 1.877 225 H SER 34 HN SER 34 10.236 1.326 2.290 226 HA SER 34 HA SER 34 11.495 -0.984 1.364 227 1HB SER 34 HB2 SER 34 11.269 -0.519 4.439 228 2HB SER 34 HB1 SER 34 11.570 -2.118 3.655 229 HG SER 34 HG SER 34 13.253 -0.047 2.875 230 H GLY 35 HN GLY 35 9.669 -2.759 1.985 231 1HA GLY 35 HA2 GLY 35 7.286 -1.912 3.002 232 2HA GLY 35 HA1 GLY 35 7.320 -1.852 1.162 233 H HIS 36 HN HIS 36 5.852 -4.005 2.368 234 HA HIS 36 HA HIS 36 7.196 -6.239 1.461 235 1HB HIS 36 HB2 HIS 36 7.055 -7.479 3.785 236 2HB HIS 36 HB1 HIS 36 8.485 -6.453 3.490 237 HD1 HIS 36 HD1 HIS 36 5.176 -6.210 5.387 238 HD2 HIS 36 HD2 HIS 36 9.008 -4.493 5.309 239 HE1 HIS 36 HE1 HIS 36 5.381 -4.706 7.427 240 HE2 HIS 36 HE2 HIS 36 7.691 -3.685 7.328 241 H CYS 37 HN CYS 37 5.415 -8.072 2.294 242 HA CYS 37 HA CYS 37 2.867 -6.849 1.778 243 1HB CYS 37 HB2 CYS 37 3.414 -9.719 2.754 244 2HB CYS 37 HB1 CYS 37 1.891 -9.106 2.041 245 H GLY 38 HN GLY 38 0.871 -7.210 3.283 246 1HA GLY 38 HA2 GLY 38 1.261 -8.048 5.851 247 2HA GLY 38 HA1 GLY 38 1.227 -6.219 5.736 248 H PHE 39 HN PHE 39 -1.184 -6.976 6.807 249 HA PHE 39 HA PHE 39 -2.945 -6.348 4.780 250 1HB PHE 39 HB2 PHE 39 -2.848 -8.938 4.534 251 2HB PHE 39 HB1 PHE 39 -3.208 -9.079 6.288 252 HD1 PHE 39 HD1 PHE 39 -5.123 -6.474 4.329 253 HD2 PHE 39 HD2 PHE 39 -4.906 -10.627 5.474 254 HE1 PHE 39 HE1 PHE 39 -7.467 -6.766 3.762 255 HE2 PHE 39 HE2 PHE 39 -7.270 -10.917 4.842 256 HZ PHE 39 HZ PHE 39 -8.566 -8.993 3.979 257 H LYS 40 HN LYS 40 -4.978 -5.839 6.250 258 HA LYS 40 HA LYS 40 -4.154 -5.393 9.018 259 1HB LYS 40 HB2 LYS 40 -6.259 -3.951 7.258 260 2HB LYS 40 HB1 LYS 40 -5.941 -3.569 8.982 261 1HG LYS 40 HG2 LYS 40 -3.657 -2.829 8.456 262 2HG LYS 40 HG1 LYS 40 -3.846 -3.303 6.737 263 1HD LYS 40 HD2 LYS 40 -4.031 -0.912 6.939 264 2HD LYS 40 HD1 LYS 40 -5.636 -1.550 6.449 265 1HE LYS 40 HE2 LYS 40 -6.549 -1.198 8.711 266 2HE LYS 40 HE1 LYS 40 -4.904 -0.843 9.376 267 1HZ LYS 40 HZ1 LYS 40 -4.803 1.123 8.092 268 2HZ LYS 40 HZ2 LYS 40 -6.255 1.118 8.971 269 3HZ LYS 40 HZ3 LYS 40 -6.274 0.791 7.304 270 H VAL 41 HN VAL 41 -5.832 -7.304 7.100 271 HA VAL 41 HA VAL 41 -7.610 -8.566 7.043 272 HB VAL 41 HB VAL 41 -8.172 -7.777 9.902 273 1HG1 VAL 41 HG11 VAL 41 -10.262 -8.566 8.753 274 2HG1 VAL 41 HG12 VAL 41 -9.667 -9.802 9.906 275 3HG1 VAL 41 HG13 VAL 41 -9.388 -10.025 8.139 276 1HG2 VAL 41 HG21 VAL 41 -7.201 -10.111 10.330 277 2HG2 VAL 41 HG22 VAL 41 -6.002 -8.950 9.659 278 3HG2 VAL 41 HG23 VAL 41 -6.752 -10.195 8.587 279 H GLY 42 HN GLY 42 -9.646 -8.132 5.958 280 1HA GLY 42 HA2 GLY 42 -11.436 -6.337 6.202 281 2HA GLY 42 HA1 GLY 42 -10.050 -5.279 5.694 282 H HIS 43 HN HIS 43 -9.405 -5.295 3.568 283 HA HIS 43 HA HIS 43 -11.288 -6.228 1.760 284 1HB HIS 43 HB2 HIS 43 -8.487 -5.128 1.225 285 2HB HIS 43 HB1 HIS 43 -9.760 -5.331 -0.021 286 HD1 HIS 43 HD1 HIS 43 -10.130 -2.930 -0.612 287 HD2 HIS 43 HD2 HIS 43 -10.011 -3.424 3.553 288 HE1 HIS 43 HE1 HIS 43 -10.338 -0.626 0.438 289 HE2 HIS 43 HE2 HIS 43 -10.316 -0.985 2.930 290 H GLY 44 HN GLY 44 -7.693 -7.070 1.408 291 1HA GLY 44 HA2 GLY 44 -8.515 -9.825 0.971 292 2HA GLY 44 HA1 GLY 44 -7.936 -8.895 -0.462 293 H LEU 45 HN LEU 45 -5.869 -7.341 0.587 294 HA LEU 45 HA LEU 45 -4.308 -8.645 2.422 295 1HB LEU 45 HB2 LEU 45 -3.799 -9.651 -0.194 296 2HB LEU 45 HB1 LEU 45 -2.661 -8.287 -0.082 297 HG LEU 45 HG LEU 45 -1.927 -9.347 2.207 298 1HD1 LEU 45 HD11 LEU 45 -2.224 -11.832 2.394 299 2HD1 LEU 45 HD12 LEU 45 -3.292 -11.821 0.946 300 3HD1 LEU 45 HD13 LEU 45 -3.826 -10.993 2.454 301 1HD2 LEU 45 HD21 LEU 45 -1.353 -10.880 -0.410 302 2HD2 LEU 45 HD22 LEU 45 -0.306 -10.841 1.066 303 3HD2 LEU 45 HD23 LEU 45 -0.581 -9.343 0.104 304 H ALA 46 HN ALA 46 -2.052 -6.809 1.670 305 HA ALA 46 HA ALA 46 -3.046 -4.580 0.384 306 1HB ALA 46 HB1 ALA 46 -3.970 -3.865 2.609 307 2HB ALA 46 HB2 ALA 46 -2.503 -2.909 2.237 308 3HB ALA 46 HB3 ALA 46 -2.412 -4.292 3.407 309 H CYS 47 HN CYS 47 -0.627 -3.019 1.142 310 HA CYS 47 HA CYS 47 1.260 -5.140 1.835 311 1HB CYS 47 HB2 CYS 47 2.663 -3.113 0.206 312 2HB CYS 47 HB1 CYS 47 2.812 -4.877 0.207 313 H TRP 48 HN TRP 48 3.384 -3.615 2.415 314 HA TRP 48 HA TRP 48 2.347 -1.311 3.929 315 1HB TRP 48 HB2 TRP 48 3.047 -3.164 5.450 316 2HB TRP 48 HB1 TRP 48 4.596 -3.323 4.560 317 HD1 TRP 48 HD1 TRP 48 6.579 -1.684 5.398 318 HE1 TRP 48 HE1 TRP 48 6.786 0.010 7.359 319 HE3 TRP 48 HE3 TRP 48 1.674 -1.439 6.745 320 HZ2 TRP 48 HZ2 TRP 48 5.048 1.436 9.058 321 HZ3 TRP 48 HZ3 TRP 48 0.997 0.128 8.544 322 HH2 TRP 48 HH2 TRP 48 2.653 1.562 9.661 323 H CYS 49 HN CYS 49 3.958 0.558 3.877 324 HA CYS 49 HA CYS 49 6.317 0.160 2.320 325 1HB CYS 49 HB2 CYS 49 4.143 2.193 1.528 326 2HB CYS 49 HB1 CYS 49 5.884 2.515 1.244 327 H ASN 50 HN ASN 50 7.863 1.539 3.401 328 HA ASN 50 HA ASN 50 6.721 2.594 5.906 329 1HB ASN 50 HB2 ASN 50 8.576 0.651 5.688 330 2HB ASN 50 HB1 ASN 50 9.712 2.043 5.602 331 1HD2 ASN 50 HD21 ASN 50 9.208 3.787 7.461 332 2HD2 ASN 50 HD22 ASN 50 8.890 3.116 9.049 333 H ALA 51 HN ALA 51 6.840 4.146 3.294 334 HA ALA 51 HA ALA 51 7.112 6.592 4.353 335 1HB ALA 51 HB1 ALA 51 9.383 5.751 2.394 336 2HB ALA 51 HB2 ALA 51 9.643 6.491 4.013 337 3HB ALA 51 HB3 ALA 51 8.876 7.448 2.697 338 H LEU 52 HN LEU 52 5.859 7.687 2.576 339 HA LEU 52 HA LEU 52 6.492 6.873 -0.005 340 1HB LEU 52 HB2 LEU 52 3.519 6.899 0.841 341 2HB LEU 52 HB1 LEU 52 4.080 7.144 -0.832 342 HG LEU 52 HG LEU 52 4.638 4.586 0.759 343 1HD1 LEU 52 HD11 LEU 52 2.791 3.510 -0.368 344 2HD1 LEU 52 HD12 LEU 52 2.339 5.033 -1.220 345 3HD1 LEU 52 HD13 LEU 52 2.180 4.917 0.574 346 1HD2 LEU 52 HD21 LEU 52 4.683 5.156 -2.270 347 2HD2 LEU 52 HD22 LEU 52 5.090 3.584 -1.471 348 3HD2 LEU 52 HD23 LEU 52 6.134 5.032 -1.228 349 HA PRO 53 HA PRO 53 5.980 11.233 0.785 350 1HB PRO 53 HB2 PRO 53 5.407 11.581 -2.181 351 2HB PRO 53 HB1 PRO 53 6.672 12.395 -1.197 352 1HG PRO 53 HG1 PRO 53 7.288 10.379 -2.994 353 2HG PRO 53 HG2 PRO 53 8.142 10.524 -1.402 354 1HD PRO 53 HD1 PRO 53 5.838 8.602 -2.120 355 2HD PRO 53 HD2 PRO 53 7.350 8.309 -1.196 356 H ASP 54 HN ASP 54 4.326 13.033 0.445 357 HA ASP 54 HA ASP 54 1.752 11.957 0.804 358 1HB ASP 54 HB2 ASP 54 2.715 14.845 0.453 359 2HB ASP 54 HB1 ASP 54 1.100 14.362 1.126 360 H ASN 55 HN ASN 55 3.021 11.981 -2.192 361 HA ASN 55 HA ASN 55 0.617 13.145 -3.435 362 1HB ASN 55 HB2 ASN 55 1.655 12.902 -5.600 363 2HB ASN 55 HB1 ASN 55 2.800 13.765 -4.526 364 1HD2 ASN 55 HD21 ASN 55 2.441 11.015 -6.643 365 2HD2 ASN 55 HD22 ASN 55 3.941 10.225 -6.243 366 H VAL 56 HN VAL 56 1.626 10.365 -1.926 367 HA VAL 56 HA VAL 56 0.138 8.591 -3.714 368 HB VAL 56 HB VAL 56 1.987 7.433 -1.612 369 1HG1 VAL 56 HG11 VAL 56 2.239 5.703 -3.378 370 2HG1 VAL 56 HG12 VAL 56 1.342 6.731 -4.560 371 3HG1 VAL 56 HG13 VAL 56 0.499 6.050 -3.124 372 1HG2 VAL 56 HG21 VAL 56 3.061 8.809 -4.169 373 2HG2 VAL 56 HG22 VAL 56 3.980 7.637 -3.149 374 3HG2 VAL 56 HG23 VAL 56 3.474 9.202 -2.475 375 H GLY 57 HN GLY 57 -0.953 6.775 -1.926 376 1HA GLY 57 HA2 GLY 57 -1.730 8.172 0.432 377 2HA GLY 57 HA1 GLY 57 -2.989 7.930 -0.889 378 H ILE 58 HN ILE 58 -3.746 6.340 1.167 379 HA ILE 58 HA ILE 58 -2.561 3.783 0.934 380 HB ILE 58 HB ILE 58 -2.001 3.852 3.487 381 1HG1 ILE 58 HG12 ILE 58 -1.952 6.899 2.953 382 2HG1 ILE 58 HG11 ILE 58 -3.125 6.019 3.998 383 1HG2 ILE 58 HG21 ILE 58 -0.139 5.515 1.709 384 2HG2 ILE 58 HG22 ILE 58 -0.315 3.753 1.582 385 3HG2 ILE 58 HG23 ILE 58 0.305 4.460 3.103 386 1HD1 ILE 58 HD11 ILE 58 -0.061 6.187 4.396 387 2HD1 ILE 58 HD12 ILE 58 -1.201 5.211 5.399 388 3HD1 ILE 58 HD13 ILE 58 -1.338 7.012 5.366 389 H ILE 59 HN ILE 59 -3.614 2.793 3.305 390 HA ILE 59 HA ILE 59 -6.292 2.680 2.512 391 HB ILE 59 HB ILE 59 -5.510 1.826 5.327 392 1HG1 ILE 59 HG12 ILE 59 -3.561 1.081 4.102 393 2HG1 ILE 59 HG11 ILE 59 -4.594 -0.247 4.686 394 1HG2 ILE 59 HG21 ILE 59 -7.042 -0.103 4.710 395 2HG2 ILE 59 HG22 ILE 59 -7.378 0.696 3.127 396 3HG2 ILE 59 HG23 ILE 59 -7.841 1.505 4.668 397 1HD1 ILE 59 HD11 ILE 59 -5.556 -0.083 2.120 398 2HD1 ILE 59 HD12 ILE 59 -4.163 -1.120 2.619 399 3HD1 ILE 59 HD13 ILE 59 -3.855 0.473 1.873 400 H VAL 60 HN VAL 60 -8.039 3.794 3.211 401 HA VAL 60 HA VAL 60 -7.766 5.488 5.629 402 HB VAL 60 HB VAL 60 -9.342 5.813 3.028 403 1HG1 VAL 60 HG11 VAL 60 -10.394 7.804 4.017 404 2HG1 VAL 60 HG12 VAL 60 -9.687 7.395 5.633 405 3HG1 VAL 60 HG13 VAL 60 -10.910 6.298 4.855 406 1HG2 VAL 60 HG21 VAL 60 -8.145 7.994 2.938 407 2HG2 VAL 60 HG22 VAL 60 -6.993 6.613 2.964 408 3HG2 VAL 60 HG23 VAL 60 -7.267 7.588 4.458 409 H GLU 61 HN GLU 61 -8.720 4.389 7.273 410 HA GLU 61 HA GLU 61 -9.944 3.069 8.434 411 1HB GLU 61 HB2 GLU 61 -11.759 4.599 7.556 412 2HB GLU 61 HB1 GLU 61 -12.117 3.409 6.302 413 1HG GLU 61 HG2 GLU 61 -13.754 3.308 8.166 414 2HG GLU 61 HG1 GLU 61 -12.835 1.764 8.132 415 H GLY 62 HN GLY 62 -11.957 1.430 6.259 416 1HA GLY 62 HA2 GLY 62 -10.285 -0.380 5.000 417 2HA GLY 62 HA1 GLY 62 -10.909 -1.054 6.592 418 H GLU 63 HN GLU 63 -11.958 1.094 3.925 419 HA GLU 63 HA GLU 63 -14.731 0.262 4.485 420 1HB GLU 63 HB2 GLU 63 -14.131 2.566 5.280 421 2HB GLU 63 HB1 GLU 63 -13.559 2.987 3.644 422 1HG GLU 63 HG2 GLU 63 -16.051 2.478 2.877 423 2HG GLU 63 HG1 GLU 63 -16.443 2.489 4.639 424 H LYS 64 HN LYS 64 -12.943 2.053 1.874 425 HA LYS 64 HA LYS 64 -14.714 0.680 -0.015 426 1HB LYS 64 HB2 LYS 64 -15.446 3.069 0.737 427 2HB LYS 64 HB1 LYS 64 -13.938 3.677 0.002 428 1HG LYS 64 HG2 LYS 64 -15.898 4.071 -1.431 429 2HG LYS 64 HG1 LYS 64 -14.740 3.000 -2.254 430 1HD LYS 64 HD2 LYS 64 -16.929 2.183 -2.724 431 2HD LYS 64 HD1 LYS 64 -16.231 1.004 -1.561 432 1HE LYS 64 HE2 LYS 64 -17.569 2.053 0.311 433 2HE LYS 64 HE1 LYS 64 -18.165 3.318 -0.838 434 1HZ LYS 64 HZ1 LYS 64 -19.816 1.753 -0.705 435 2HZ LYS 64 HZ2 LYS 64 -18.765 0.418 -0.814 436 3HZ LYS 64 HZ3 LYS 64 -19.041 1.402 -2.175 437 H CYS 65 HN CYS 65 -13.733 1.266 -2.371 438 HA CYS 65 HA CYS 65 -10.927 1.694 -2.293 439 1HB CYS 65 HB2 CYS 65 -11.005 -0.812 -2.460 440 2HB CYS 65 HB1 CYS 65 -12.340 -0.715 -3.634 441 H HIS 66 HN HIS 66 -10.684 3.227 -3.947 442 HA HIS 66 HA HIS 66 -12.471 3.143 -6.171 443 1HB HIS 66 HB2 HIS 66 -12.748 5.721 -6.119 444 2HB HIS 66 HB1 HIS 66 -13.860 4.779 -5.075 445 HD1 HIS 66 HD1 HIS 66 -12.539 7.836 -4.826 446 HD2 HIS 66 HD2 HIS 66 -12.213 4.525 -2.264 447 HE1 HIS 66 HE1 HIS 66 -11.997 8.720 -2.517 448 HE2 HIS 66 HE2 HIS 66 -11.878 6.703 -0.991 449 H SER 67 HN SER 67 -10.835 2.848 -7.611 450 HA SER 67 HA SER 67 -8.203 3.589 -6.928 451 1HB SER 67 HB2 SER 67 -9.281 2.510 -9.599 452 2HB SER 67 HB1 SER 67 -7.573 2.468 -9.015 453 HG SER 67 HG SER 67 -8.022 0.831 -7.779 454 1HN NH2 68 H1 NH2 68 -7.990 6.735 -8.566 455 2HN NH2 68 H2 NH2 68 -7.386 5.616 -7.357 Start of MODEL 3 1 1H VAL 1 HT1 VAL 1 6.520 12.858 5.170 2 2H VAL 1 HT2 VAL 1 6.177 12.076 6.643 3 3H VAL 1 HT3 VAL 1 4.926 12.823 5.774 4 HA VAL 1 HA VAL 1 5.086 11.295 4.035 5 HB VAL 1 HB VAL 1 6.622 9.343 4.104 6 1HG1 VAL 1 HG11 VAL 1 7.266 11.431 2.863 7 2HG1 VAL 1 HG12 VAL 1 8.690 10.537 3.495 8 3HG1 VAL 1 HG13 VAL 1 8.131 12.033 4.326 9 1HG2 VAL 1 HG21 VAL 1 8.528 9.284 5.726 10 2HG2 VAL 1 HG22 VAL 1 6.950 9.115 6.566 11 3HG2 VAL 1 HG23 VAL 1 7.838 10.681 6.616 12 H ARG 2 HN ARG 2 4.272 8.920 4.156 13 HA ARG 2 HA ARG 2 2.939 8.490 6.762 14 1HB ARG 2 HB2 ARG 2 2.400 6.954 4.133 15 2HB ARG 2 HB1 ARG 2 1.507 6.847 5.684 16 1HG ARG 2 HG2 ARG 2 0.051 8.016 4.427 17 2HG ARG 2 HG1 ARG 2 0.879 9.386 5.239 18 1HD ARG 2 HD2 ARG 2 2.035 9.999 3.164 19 2HD ARG 2 HD1 ARG 2 1.782 8.355 2.464 20 HE ARG 2 HE ARG 2 -0.296 8.991 1.675 21 1HH1 ARG 2 HH21 ARG 2 0.662 11.338 4.211 22 2HH1 ARG 2 HH22 ARG 2 -0.659 12.414 3.896 23 1HH2 ARG 2 HH11 ARG 2 -2.024 10.468 1.251 24 2HH2 ARG 2 HH12 ARG 2 -2.194 11.923 2.175 25 H ASP 3 HN ASP 3 3.059 6.180 7.597 26 HA ASP 3 HA ASP 3 4.792 4.436 6.089 27 1HB ASP 3 HB2 ASP 3 4.611 4.438 9.200 28 2HB ASP 3 HB1 ASP 3 5.556 3.306 8.165 29 H GLY 4 HN GLY 4 3.183 2.654 5.663 30 1HA GLY 4 HA2 GLY 4 0.975 2.509 7.407 31 2HA GLY 4 HA1 GLY 4 0.620 3.393 5.848 32 H TYR 5 HN TYR 5 -0.754 1.224 5.747 33 HA TYR 5 HA TYR 5 0.848 -0.802 4.371 34 1HB TYR 5 HB2 TYR 5 -2.118 -0.483 5.088 35 2HB TYR 5 HB1 TYR 5 -1.654 -1.514 3.681 36 HD1 TYR 5 HD1 TYR 5 -1.047 -1.066 7.396 37 HD2 TYR 5 HD2 TYR 5 -1.031 -3.679 3.997 38 HE1 TYR 5 HE1 TYR 5 -0.758 -3.006 8.895 39 HE2 TYR 5 HE2 TYR 5 -0.764 -5.622 5.464 40 HH TYR 5 HH TYR 5 -1.307 -6.263 7.729 41 H ILE 6 HN ILE 6 0.768 -0.836 2.080 42 HA ILE 6 HA ILE 6 -0.077 1.693 0.857 43 HB ILE 6 HB ILE 6 2.322 0.945 0.585 44 1HG1 ILE 6 HG12 ILE 6 0.604 1.363 -1.928 45 2HG1 ILE 6 HG11 ILE 6 1.307 2.619 -0.863 46 1HG2 ILE 6 HG21 ILE 6 1.840 -1.521 0.363 47 2HG2 ILE 6 HG22 ILE 6 2.850 -0.888 -0.970 48 3HG2 ILE 6 HG23 ILE 6 1.108 -1.219 -1.253 49 1HD1 ILE 6 HD11 ILE 6 3.632 1.763 -1.527 50 2HD1 ILE 6 HD12 ILE 6 2.656 2.456 -2.861 51 3HD1 ILE 6 HD13 ILE 6 2.817 0.669 -2.717 52 H ALA 7 HN ALA 7 -1.320 1.623 -1.069 53 HA ALA 7 HA ALA 7 -2.670 -0.567 -1.996 54 1HB ALA 7 HB1 ALA 7 -4.979 0.565 -1.447 55 2HB ALA 7 HB2 ALA 7 -4.111 1.437 -0.152 56 3HB ALA 7 HB3 ALA 7 -4.204 -0.367 -0.142 57 H GLN 8 HN GLN 8 -4.471 0.955 -3.411 58 HA GLN 8 HA GLN 8 -2.724 2.858 -4.739 59 1HB GLN 8 HB2 GLN 8 -5.341 1.486 -5.667 60 2HB GLN 8 HB1 GLN 8 -4.192 2.392 -6.706 61 1HG GLN 8 HG2 GLN 8 -2.501 0.612 -6.418 62 2HG GLN 8 HG1 GLN 8 -3.535 -0.273 -5.242 63 1HE2 GLN 8 HE22 GLN 8 -4.975 -1.815 -6.072 64 2HE2 GLN 8 HE21 GLN 8 -5.447 -1.894 -7.746 65 HA PRO 9 HA PRO 9 -6.073 5.757 -3.747 66 1HB PRO 9 HB2 PRO 9 -5.512 6.790 -6.591 67 2HB PRO 9 HB1 PRO 9 -5.735 7.768 -5.086 68 1HG PRO 9 HG1 PRO 9 -3.220 7.351 -6.089 69 2HG PRO 9 HG2 PRO 9 -3.518 7.187 -4.308 70 1HD PRO 9 HD1 PRO 9 -3.349 4.930 -6.390 71 2HD PRO 9 HD2 PRO 9 -2.589 5.046 -4.728 72 H GLU 10 HN GLU 10 -8.969 4.801 -5.768 73 HA GLU 10 HA GLU 10 -7.974 6.427 -3.528 74 1HB GLU 10 HB2 GLU 10 -10.676 6.177 -4.934 75 2HB GLU 10 HB1 GLU 10 -10.500 6.973 -3.343 76 1HG GLU 10 HG2 GLU 10 -8.992 7.870 -5.887 77 2HG GLU 10 HG1 GLU 10 -10.567 8.549 -5.331 78 H ASN 11 HN ASN 11 -7.224 4.227 -2.599 79 HA ASN 11 HA ASN 11 -7.476 3.247 -0.688 80 1HB ASN 11 HB2 ASN 11 -9.411 4.867 -0.096 81 2HB ASN 11 HB1 ASN 11 -10.537 3.603 -0.676 82 1HD2 ASN 11 HD22 ASN 11 -11.468 3.249 1.463 83 2HD2 ASN 11 HD21 ASN 11 -10.498 2.947 2.887 84 H CYS 12 HN CYS 12 -7.099 1.933 -2.939 85 HA CYS 12 HA CYS 12 -8.926 -0.425 -2.855 86 1HB CYS 12 HB2 CYS 12 -7.935 1.178 -5.261 87 2HB CYS 12 HB1 CYS 12 -7.926 -0.597 -5.411 88 H VAL 13 HN VAL 13 -7.626 -2.306 -2.424 89 HA VAL 13 HA VAL 13 -5.007 -1.637 -1.720 90 HB VAL 13 HB VAL 13 -4.766 -4.075 -1.074 91 1HG1 VAL 13 HG11 VAL 13 -6.945 -2.189 0.049 92 2HG1 VAL 13 HG12 VAL 13 -5.185 -2.171 0.432 93 3HG1 VAL 13 HG13 VAL 13 -6.177 -3.576 0.923 94 1HG2 VAL 13 HG21 VAL 13 -7.819 -4.059 -1.578 95 2HG2 VAL 13 HG22 VAL 13 -6.787 -5.381 -0.926 96 3HG2 VAL 13 HG23 VAL 13 -6.618 -4.883 -2.648 97 H TYR 14 HN TYR 14 -3.138 -3.264 -2.025 98 HA TYR 14 HA TYR 14 -2.603 -3.487 -4.824 99 1HB TYR 14 HB2 TYR 14 -1.262 -1.791 -2.687 100 2HB TYR 14 HB1 TYR 14 -0.140 -2.990 -3.297 101 HD1 TYR 14 HD1 TYR 14 -1.102 -2.997 -6.311 102 HD2 TYR 14 HD2 TYR 14 -0.204 0.137 -3.498 103 HE1 TYR 14 HE1 TYR 14 -0.445 -1.542 -8.151 104 HE2 TYR 14 HE2 TYR 14 0.457 1.608 -5.347 105 HH TYR 14 HH TYR 14 0.417 0.488 -8.765 106 H HIS 15 HN HIS 15 -1.250 -5.678 -4.781 107 HA HIS 15 HA HIS 15 -1.882 -7.025 -2.242 108 1HB HIS 15 HB2 HIS 15 -2.199 -8.025 -5.134 109 2HB HIS 15 HB1 HIS 15 -2.208 -9.099 -3.695 110 HD1 HIS 15 HD1 HIS 15 -4.212 -6.016 -4.857 111 HD2 HIS 15 HD2 HIS 15 -4.697 -9.558 -2.656 112 HE1 HIS 15 HE1 HIS 15 -6.648 -6.168 -4.164 113 HE2 HIS 15 HE2 HIS 15 -6.885 -8.316 -2.853 114 H CYS 16 HN CYS 16 -0.423 -9.036 -2.034 115 HA CYS 16 HA CYS 16 2.250 -8.285 -2.979 116 1HB CYS 16 HB2 CYS 16 1.526 -8.128 -0.358 117 2HB CYS 16 HB1 CYS 16 1.724 -9.890 -0.403 118 H PHE 17 HN PHE 17 3.670 -10.456 -2.919 119 HA PHE 17 HA PHE 17 2.000 -12.775 -3.345 120 1HB PHE 17 HB2 PHE 17 4.560 -11.919 -4.885 121 2HB PHE 17 HB1 PHE 17 3.735 -13.516 -5.014 122 HD1 PHE 17 HD1 PHE 17 1.041 -13.255 -5.458 123 HD2 PHE 17 HD2 PHE 17 4.033 -10.356 -6.536 124 HE1 PHE 17 HE1 PHE 17 -0.524 -12.234 -7.066 125 HE2 PHE 17 HE2 PHE 17 2.460 -9.338 -8.144 126 HZ PHE 17 HZ PHE 17 0.173 -10.265 -8.405 127 HA PRO 18 HA PRO 18 4.584 -13.049 0.279 128 1HB PRO 18 HB2 PRO 18 4.178 -16.045 -0.285 129 2HB PRO 18 HB1 PRO 18 4.250 -15.241 1.340 130 1HG PRO 18 HG1 PRO 18 1.828 -15.756 0.177 131 2HG PRO 18 HG2 PRO 18 2.112 -14.143 0.956 132 1HD PRO 18 HD1 PRO 18 2.014 -14.789 -2.010 133 2HD PRO 18 HD2 PRO 18 1.625 -13.254 -1.124 134 H GLY 19 HN GLY 19 6.666 -12.486 0.115 135 1HA GLY 19 HA2 GLY 19 8.893 -13.775 -0.283 136 2HA GLY 19 HA1 GLY 19 8.267 -13.566 -1.991 137 H SER 20 HN SER 20 6.806 -11.432 -1.903 138 HA SER 20 HA SER 20 6.407 -9.384 -1.270 139 1HB SER 20 HB2 SER 20 9.247 -8.763 -0.340 140 2HB SER 20 HB1 SER 20 7.770 -7.743 -0.156 141 HG SER 20 HG SER 20 8.466 -10.199 1.006 142 H SER 21 HN SER 21 8.417 -10.639 -3.603 143 HA SER 21 HA SER 21 9.843 -8.759 -4.643 144 1HB SER 21 HB2 SER 21 8.058 -10.512 -6.421 145 2HB SER 21 HB1 SER 21 9.784 -10.040 -6.672 146 HG SER 21 HG SER 21 9.580 -12.170 -5.890 147 H GLY 22 HN GLY 22 6.337 -9.051 -5.239 148 1HA GLY 22 HA2 GLY 22 6.123 -6.950 -7.076 149 2HA GLY 22 HA1 GLY 22 4.816 -7.651 -6.046 150 H CYS 23 HN CYS 23 5.262 -6.930 -3.501 151 HA CYS 23 HA CYS 23 4.659 -4.191 -3.709 152 1HB CYS 23 HB2 CYS 23 4.997 -5.925 -1.225 153 2HB CYS 23 HB1 CYS 23 4.545 -4.189 -1.176 154 H ASP 24 HN ASP 24 7.664 -5.863 -2.866 155 HA ASP 24 HA ASP 24 8.965 -3.596 -1.819 156 1HB ASP 24 HB2 ASP 24 9.843 -5.988 -1.734 157 2HB ASP 24 HB1 ASP 24 10.190 -5.887 -3.493 158 H THR 25 HN THR 25 8.552 -4.820 -5.192 159 HA THR 25 HA THR 25 10.037 -2.767 -6.404 160 HB THR 25 HB THR 25 7.729 -4.379 -7.586 161 HG1 THR 25 HG1 THR 25 9.195 -5.862 -6.888 162 1HG2 THR 25 HG21 THR 25 8.987 -4.000 -9.754 163 2HG2 THR 25 HG22 THR 25 10.174 -2.966 -8.878 164 3HG2 THR 25 HG23 THR 25 8.455 -2.447 -9.032 165 H LEU 26 HN LEU 26 6.520 -3.131 -5.633 166 HA LEU 26 HA LEU 26 5.639 -0.793 -6.852 167 1HB LEU 26 HB2 LEU 26 4.640 -2.112 -4.266 168 2HB LEU 26 HB1 LEU 26 3.815 -0.742 -5.067 169 HG LEU 26 HG LEU 26 4.257 -3.478 -6.396 170 1HD1 LEU 26 HD11 LEU 26 2.740 -3.620 -4.409 171 2HD1 LEU 26 HD12 LEU 26 1.820 -3.823 -5.937 172 3HD1 LEU 26 HD13 LEU 26 1.776 -2.252 -5.049 173 1HD2 LEU 26 HD21 LEU 26 4.054 -1.684 -8.088 174 2HD2 LEU 26 HD22 LEU 26 2.619 -1.003 -7.242 175 3HD2 LEU 26 HD23 LEU 26 2.526 -2.626 -8.031 176 H CYS 27 HN CYS 27 6.937 -1.386 -3.569 177 HA CYS 27 HA CYS 27 6.588 1.168 -2.656 178 1HB CYS 27 HB2 CYS 27 7.559 -1.112 -1.513 179 2HB CYS 27 HB1 CYS 27 9.109 -0.264 -1.733 180 H LYS 28 HN LYS 28 9.275 -0.113 -4.670 181 HA LYS 28 HA LYS 28 10.868 2.210 -4.361 182 1HB LYS 28 HB2 LYS 28 10.787 0.260 -6.753 183 2HB LYS 28 HB1 LYS 28 12.089 1.451 -6.415 184 1HG LYS 28 HG2 LYS 28 11.362 -1.013 -4.719 185 2HG LYS 28 HG1 LYS 28 12.764 -0.846 -5.815 186 1HD LYS 28 HD2 LYS 28 13.666 0.989 -4.352 187 2HD LYS 28 HD1 LYS 28 12.265 0.783 -3.235 188 1HE LYS 28 HE2 LYS 28 12.942 -1.561 -2.738 189 2HE LYS 28 HE1 LYS 28 14.326 -1.426 -3.899 190 1HZ LYS 28 HZ1 LYS 28 15.241 0.312 -2.546 191 2HZ LYS 28 HZ2 LYS 28 14.971 -1.080 -1.608 192 3HZ LYS 28 HZ3 LYS 28 13.924 0.251 -1.477 193 H GLU 29 HN GLU 29 8.335 1.283 -6.758 194 HA GLU 29 HA GLU 29 8.953 3.600 -8.340 195 1HB GLU 29 HB2 GLU 29 7.036 2.999 -9.768 196 2HB GLU 29 HB1 GLU 29 8.196 1.650 -9.542 197 1HG GLU 29 HG2 GLU 29 6.703 0.625 -7.839 198 2HG GLU 29 HG1 GLU 29 5.497 1.946 -8.055 199 H LYS 30 HN LYS 30 6.561 2.822 -5.785 200 HA LYS 30 HA LYS 30 5.160 5.298 -6.325 201 1HB LYS 30 HB2 LYS 30 4.891 3.346 -3.975 202 2HB LYS 30 HB1 LYS 30 3.828 4.757 -4.283 203 1HG LYS 30 HG2 LYS 30 4.158 2.250 -6.058 204 2HG LYS 30 HG1 LYS 30 2.752 2.648 -5.028 205 1HD LYS 30 HD2 LYS 30 3.670 4.162 -7.548 206 2HD LYS 30 HD1 LYS 30 2.301 3.008 -7.417 207 1HE LYS 30 HE2 LYS 30 1.105 4.547 -5.835 208 2HE LYS 30 HE1 LYS 30 2.475 5.727 -5.934 209 1HZ LYS 30 HZ1 LYS 30 2.075 5.908 -8.293 210 2HZ LYS 30 HZ2 LYS 30 0.697 6.319 -7.388 211 3HZ LYS 30 HZ3 LYS 30 0.770 4.826 -8.193 212 H GLY 31 HN GLY 31 7.875 4.230 -4.305 213 1HA GLY 31 HA2 GLY 31 9.483 5.778 -3.976 214 2HA GLY 31 HA1 GLY 31 8.262 7.104 -3.884 215 H GLY 32 HN GLY 32 8.490 3.915 -2.229 216 1HA GLY 32 HA2 GLY 32 8.772 5.352 0.343 217 2HA GLY 32 HA1 GLY 32 8.039 3.712 0.089 218 H THR 33 HN THR 33 10.186 3.736 1.843 219 HA THR 33 HA THR 33 12.644 3.630 0.373 220 HB THR 33 HB THR 33 13.501 2.706 2.655 221 HG1 THR 33 HG1 THR 33 12.151 2.934 4.320 222 1HG2 THR 33 HG21 THR 33 13.841 5.035 1.844 223 2HG2 THR 33 HG22 THR 33 13.442 5.060 3.594 224 3HG2 THR 33 HG23 THR 33 12.192 5.507 2.371 225 H SER 34 HN SER 34 10.591 1.160 2.123 226 HA SER 34 HA SER 34 10.836 -0.608 0.037 227 1HB SER 34 HB2 SER 34 12.379 -1.377 2.621 228 2HB SER 34 HB1 SER 34 11.884 -2.546 1.337 229 HG SER 34 HG SER 34 13.205 -0.275 0.461 230 H GLY 35 HN GLY 35 9.733 -2.829 1.478 231 1HA GLY 35 HA2 GLY 35 7.844 -2.058 3.284 232 2HA GLY 35 HA1 GLY 35 7.263 -1.977 1.534 233 H HIS 36 HN HIS 36 6.093 -4.201 2.532 234 HA HIS 36 HA HIS 36 7.569 -6.378 1.585 235 1HB HIS 36 HB2 HIS 36 7.639 -7.633 3.867 236 2HB HIS 36 HB1 HIS 36 8.893 -6.392 3.603 237 HD1 HIS 36 HD1 HIS 36 5.532 -6.637 5.457 238 HD2 HIS 36 HD2 HIS 36 9.163 -4.522 5.528 239 HE1 HIS 36 HE1 HIS 36 5.534 -5.204 7.550 240 HE2 HIS 36 HE2 HIS 36 7.736 -3.948 7.553 241 H CYS 37 HN CYS 37 6.129 -8.430 2.448 242 HA CYS 37 HA CYS 37 3.435 -7.704 1.841 243 1HB CYS 37 HB2 CYS 37 4.538 -10.388 2.887 244 2HB CYS 37 HB1 CYS 37 2.880 -10.134 2.268 245 H GLY 38 HN GLY 38 1.519 -8.688 3.271 246 1HA GLY 38 HA2 GLY 38 1.844 -8.941 5.939 247 2HA GLY 38 HA1 GLY 38 1.361 -7.215 5.511 248 H PHE 39 HN PHE 39 -0.911 -8.150 6.413 249 HA PHE 39 HA PHE 39 -2.441 -8.836 4.160 250 1HB PHE 39 HB2 PHE 39 -1.923 -11.163 5.311 251 2HB PHE 39 HB1 PHE 39 -2.616 -10.480 6.822 252 HD1 PHE 39 HD1 PHE 39 -3.380 -11.152 3.192 253 HD2 PHE 39 HD2 PHE 39 -4.983 -10.590 7.142 254 HE1 PHE 39 HE1 PHE 39 -5.627 -11.776 2.371 255 HE2 PHE 39 HE2 PHE 39 -7.224 -11.201 6.318 256 HZ PHE 39 HZ PHE 39 -7.559 -11.807 3.934 257 H LYS 40 HN LYS 40 -4.792 -8.120 5.179 258 HA LYS 40 HA LYS 40 -4.613 -6.676 7.558 259 1HB LYS 40 HB2 LYS 40 -3.676 -5.023 5.734 260 2HB LYS 40 HB1 LYS 40 -5.244 -5.195 4.890 261 1HG LYS 40 HG2 LYS 40 -5.009 -3.095 6.207 262 2HG LYS 40 HG1 LYS 40 -6.402 -4.061 6.785 263 1HD LYS 40 HD2 LYS 40 -5.143 -4.808 8.766 264 2HD LYS 40 HD1 LYS 40 -3.614 -4.128 8.098 265 1HE LYS 40 HE2 LYS 40 -4.553 -1.803 8.284 266 2HE LYS 40 HE1 LYS 40 -6.079 -2.481 8.989 267 1HZ LYS 40 HZ1 LYS 40 -4.812 -3.354 10.807 268 2HZ LYS 40 HZ2 LYS 40 -4.514 -1.688 10.645 269 3HZ LYS 40 HZ3 LYS 40 -3.352 -2.813 10.128 270 H VAL 41 HN VAL 41 -7.221 -5.886 7.610 271 HA VAL 41 HA VAL 41 -8.767 -7.667 6.000 272 HB VAL 41 HB VAL 41 -9.866 -7.508 8.736 273 1HG1 VAL 41 HG11 VAL 41 -9.072 -9.868 6.899 274 2HG1 VAL 41 HG12 VAL 41 -10.664 -9.018 6.908 275 3HG1 VAL 41 HG13 VAL 41 -10.144 -9.970 8.344 276 1HG2 VAL 41 HG21 VAL 41 -7.153 -8.984 8.509 277 2HG2 VAL 41 HG22 VAL 41 -8.316 -9.095 9.876 278 3HG2 VAL 41 HG23 VAL 41 -7.500 -7.534 9.537 279 H GLY 42 HN GLY 42 -10.876 -6.483 5.885 280 1HA GLY 42 HA2 GLY 42 -12.049 -4.471 6.252 281 2HA GLY 42 HA1 GLY 42 -10.474 -3.626 6.550 282 H HIS 43 HN HIS 43 -9.260 -5.461 4.475 283 HA HIS 43 HA HIS 43 -10.679 -4.745 2.043 284 1HB HIS 43 HB2 HIS 43 -7.673 -4.244 2.525 285 2HB HIS 43 HB1 HIS 43 -8.380 -4.473 0.891 286 HD1 HIS 43 HD1 HIS 43 -10.051 -2.637 0.049 287 HD2 HIS 43 HD2 HIS 43 -7.910 -1.625 3.516 288 HE1 HIS 43 HE1 HIS 43 -10.144 -0.113 0.284 289 HE2 HIS 43 HE2 HIS 43 -8.851 0.457 2.374 290 H GLY 44 HN GLY 44 -7.417 -6.280 2.881 291 1HA GLY 44 HA2 GLY 44 -7.982 -8.795 3.171 292 2HA GLY 44 HA1 GLY 44 -8.151 -8.499 1.360 293 H LEU 45 HN LEU 45 -6.122 -9.434 0.915 294 HA LEU 45 HA LEU 45 -3.689 -8.950 2.067 295 1HB LEU 45 HB2 LEU 45 -4.288 -10.825 0.526 296 2HB LEU 45 HB1 LEU 45 -4.588 -9.649 -0.784 297 HG LEU 45 HG LEU 45 -2.158 -9.102 -0.856 298 1HD1 LEU 45 HD11 LEU 45 -1.394 -9.717 1.456 299 2HD1 LEU 45 HD12 LEU 45 -0.504 -10.665 0.218 300 3HD1 LEU 45 HD13 LEU 45 -1.824 -11.442 1.146 301 1HD2 LEU 45 HD21 LEU 45 -1.496 -11.273 -1.949 302 2HD2 LEU 45 HD22 LEU 45 -3.182 -10.809 -2.372 303 3HD2 LEU 45 HD23 LEU 45 -2.876 -12.098 -1.154 304 H ALA 46 HN ALA 46 -2.406 -7.050 2.152 305 HA ALA 46 HA ALA 46 -2.695 -4.987 0.236 306 1HB ALA 46 HB1 ALA 46 -4.588 -4.509 1.920 307 2HB ALA 46 HB2 ALA 46 -3.235 -3.319 2.063 308 3HB ALA 46 HB3 ALA 46 -3.397 -4.679 3.247 309 H CYS 47 HN CYS 47 -0.569 -3.489 1.064 310 HA CYS 47 HA CYS 47 1.069 -5.413 2.613 311 1HB CYS 47 HB2 CYS 47 2.880 -5.408 0.915 312 2HB CYS 47 HB1 CYS 47 1.397 -6.267 0.430 313 H TRP 48 HN TRP 48 3.495 -4.334 2.706 314 HA TRP 48 HA TRP 48 2.631 -1.854 4.070 315 1HB TRP 48 HB2 TRP 48 3.405 -3.753 5.495 316 2HB TRP 48 HB1 TRP 48 4.981 -3.737 4.630 317 HD1 TRP 48 HD1 TRP 48 6.731 -1.866 5.439 318 HE1 TRP 48 HE1 TRP 48 6.707 0.052 7.191 319 HE3 TRP 48 HE3 TRP 48 1.874 -2.265 6.890 320 HZ2 TRP 48 HZ2 TRP 48 4.847 1.134 9.041 321 HZ3 TRP 48 HZ3 TRP 48 1.017 -0.776 8.683 322 HH2 TRP 48 HH2 TRP 48 2.485 0.908 9.732 323 H CYS 49 HN CYS 49 4.162 0.044 4.108 324 HA CYS 49 HA CYS 49 6.555 -0.171 2.599 325 1HB CYS 49 HB2 CYS 49 4.242 1.614 1.697 326 2HB CYS 49 HB1 CYS 49 5.911 2.249 1.612 327 H ASN 50 HN ASN 50 7.979 1.505 3.355 328 HA ASN 50 HA ASN 50 6.865 3.142 5.544 329 1HB ASN 50 HB2 ASN 50 9.461 1.614 5.289 330 2HB ASN 50 HB1 ASN 50 9.692 3.327 5.742 331 1HD2 ASN 50 HD21 ASN 50 9.697 3.735 7.938 332 2HD2 ASN 50 HD22 ASN 50 8.880 2.784 9.134 333 H ALA 51 HN ALA 51 7.239 5.340 5.331 334 HA ALA 51 HA ALA 51 8.012 7.216 4.751 335 1HB ALA 51 HB1 ALA 51 10.199 5.855 3.104 336 2HB ALA 51 HB2 ALA 51 10.319 6.239 4.862 337 3HB ALA 51 HB3 ALA 51 10.181 7.573 3.654 338 H LEU 52 HN LEU 52 5.792 6.583 3.437 339 HA LEU 52 HA LEU 52 6.345 6.941 0.579 340 1HB LEU 52 HB2 LEU 52 3.776 6.248 2.070 341 2HB LEU 52 HB1 LEU 52 3.763 6.774 0.355 342 HG LEU 52 HG LEU 52 5.379 4.372 1.365 343 1HD1 LEU 52 HD11 LEU 52 2.581 4.492 0.060 344 2HD1 LEU 52 HD12 LEU 52 2.982 3.889 1.721 345 3HD1 LEU 52 HD13 LEU 52 3.551 2.996 0.258 346 1HD2 LEU 52 HD21 LEU 52 5.578 3.715 -0.987 347 2HD2 LEU 52 HD22 LEU 52 6.122 5.425 -0.855 348 3HD2 LEU 52 HD23 LEU 52 4.504 5.058 -1.519 349 HA PRO 53 HA PRO 53 5.518 11.166 1.620 350 1HB PRO 53 HB2 PRO 53 5.480 12.349 -0.956 351 2HB PRO 53 HB1 PRO 53 6.975 11.829 -0.089 352 1HG PRO 53 HG1 PRO 53 5.397 10.292 -2.212 353 2HG PRO 53 HG2 PRO 53 7.186 10.540 -2.096 354 1HD PRO 53 HD1 PRO 53 5.937 8.227 -1.204 355 2HD PRO 53 HD2 PRO 53 7.356 8.915 -0.318 356 H ASP 54 HN ASP 54 3.996 13.019 1.003 357 HA ASP 54 HA ASP 54 1.498 12.241 1.658 358 1HB ASP 54 HB2 ASP 54 2.419 14.801 0.240 359 2HB ASP 54 HB1 ASP 54 0.849 14.636 1.130 360 H ASN 55 HN ASN 55 2.777 12.325 -1.604 361 HA ASN 55 HA ASN 55 0.208 12.823 -2.807 362 1HB ASN 55 HB2 ASN 55 1.378 12.418 -4.985 363 2HB ASN 55 HB1 ASN 55 2.178 13.682 -3.990 364 1HD2 ASN 55 HD22 ASN 55 2.705 10.651 -5.654 365 2HD2 ASN 55 HD21 ASN 55 4.314 10.369 -5.072 366 H VAL 56 HN VAL 56 1.719 10.062 -1.358 367 HA VAL 56 HA VAL 56 0.565 8.263 -3.344 368 HB VAL 56 HB VAL 56 1.964 7.363 -0.798 369 1HG1 VAL 56 HG11 VAL 56 2.450 5.392 -2.263 370 2HG1 VAL 56 HG12 VAL 56 1.583 6.177 -3.631 371 3HG1 VAL 56 HG13 VAL 56 0.680 5.686 -2.147 372 1HG2 VAL 56 HG21 VAL 56 4.092 7.392 -2.162 373 2HG2 VAL 56 HG22 VAL 56 3.499 9.027 -1.793 374 3HG2 VAL 56 HG23 VAL 56 3.253 8.356 -3.435 375 H GLY 57 HN GLY 57 -1.623 7.833 -3.111 376 1HA GLY 57 HA2 GLY 57 -2.767 8.021 -0.425 377 2HA GLY 57 HA1 GLY 57 -3.638 7.807 -2.010 378 H ILE 58 HN ILE 58 -3.766 6.107 0.493 379 HA ILE 58 HA ILE 58 -2.656 3.563 -0.389 380 HB ILE 58 HB ILE 58 -1.604 3.314 1.858 381 1HG1 ILE 58 HG12 ILE 58 -1.832 6.395 2.054 382 2HG1 ILE 58 HG11 ILE 58 -2.834 5.256 3.011 383 1HG2 ILE 58 HG21 ILE 58 0.476 4.331 1.203 384 2HG2 ILE 58 HG22 ILE 58 -0.350 5.606 0.231 385 3HG2 ILE 58 HG23 ILE 58 -0.389 3.891 -0.312 386 1HD1 ILE 58 HD11 ILE 58 -0.972 5.982 4.396 387 2HD1 ILE 58 HD12 ILE 58 0.238 5.529 3.140 388 3HD1 ILE 58 HD13 ILE 58 -0.716 4.247 3.982 389 H ILE 59 HN ILE 59 -3.245 2.749 2.519 390 HA ILE 59 HA ILE 59 -6.029 2.414 2.202 391 HB ILE 59 HB ILE 59 -4.790 2.176 4.955 392 1HG1 ILE 59 HG12 ILE 59 -3.176 1.035 3.518 393 2HG1 ILE 59 HG11 ILE 59 -4.093 -0.089 4.560 394 1HG2 ILE 59 HG21 ILE 59 -7.265 1.930 4.655 395 2HG2 ILE 59 HG22 ILE 59 -6.530 0.326 5.046 396 3HG2 ILE 59 HG23 ILE 59 -7.003 0.720 3.349 397 1HD1 ILE 59 HD11 ILE 59 -5.259 -1.068 2.710 398 2HD1 ILE 59 HD12 ILE 59 -3.590 -0.795 2.079 399 3HD1 ILE 59 HD13 ILE 59 -4.926 0.335 1.649 400 H VAL 60 HN VAL 60 -7.652 3.757 2.766 401 HA VAL 60 HA VAL 60 -6.940 6.300 4.049 402 HB VAL 60 HB VAL 60 -7.667 5.481 1.248 403 1HG1 VAL 60 HG11 VAL 60 -8.901 8.081 2.339 404 2HG1 VAL 60 HG12 VAL 60 -9.789 6.615 1.742 405 3HG1 VAL 60 HG13 VAL 60 -8.782 7.573 0.613 406 1HG2 VAL 60 HG21 VAL 60 -6.217 7.938 2.420 407 2HG2 VAL 60 HG22 VAL 60 -6.258 7.428 0.685 408 3HG2 VAL 60 HG23 VAL 60 -5.447 6.385 1.918 409 H GLU 61 HN GLU 61 -9.037 7.418 4.620 410 HA GLU 61 HA GLU 61 -10.861 7.530 5.691 411 1HB GLU 61 HB2 GLU 61 -11.616 6.871 3.301 412 2HB GLU 61 HB1 GLU 61 -11.926 5.257 3.939 413 1HG GLU 61 HG2 GLU 61 -14.004 6.646 3.771 414 2HG GLU 61 HG1 GLU 61 -13.689 6.285 5.504 415 H GLY 62 HN GLY 62 -12.520 4.730 5.775 416 1HA GLY 62 HA2 GLY 62 -11.218 3.000 7.457 417 2HA GLY 62 HA1 GLY 62 -12.249 4.175 8.426 418 H GLU 63 HN GLU 63 -12.277 2.590 5.144 419 HA GLU 63 HA GLU 63 -14.838 1.614 5.242 420 1HB GLU 63 HB2 GLU 63 -15.209 4.251 5.023 421 2HB GLU 63 HB1 GLU 63 -14.414 4.105 3.426 422 1HG GLU 63 HG2 GLU 63 -16.269 2.504 2.710 423 2HG GLU 63 HG1 GLU 63 -17.008 2.671 4.343 424 H LYS 64 HN LYS 64 -14.906 1.523 2.383 425 HA LYS 64 HA LYS 64 -12.258 0.351 1.866 426 1HB LYS 64 HB2 LYS 64 -14.469 -1.116 2.012 427 2HB LYS 64 HB1 LYS 64 -14.774 -0.512 0.360 428 1HG LYS 64 HG2 LYS 64 -12.415 -1.450 -0.245 429 2HG LYS 64 HG1 LYS 64 -12.311 -2.054 1.444 430 1HD LYS 64 HD2 LYS 64 -14.210 -3.559 1.096 431 2HD LYS 64 HD1 LYS 64 -14.490 -2.905 -0.562 432 1HE LYS 64 HE2 LYS 64 -12.261 -3.755 -1.312 433 2HE LYS 64 HE1 LYS 64 -11.909 -4.353 0.357 434 1HZ LYS 64 HZ1 LYS 64 -14.108 -5.290 -1.411 435 2HZ LYS 64 HZ2 LYS 64 -13.794 -5.831 0.170 436 3HZ LYS 64 HZ3 LYS 64 -12.659 -6.099 -1.062 437 H CYS 65 HN CYS 65 -13.247 0.089 -0.985 438 HA CYS 65 HA CYS 65 -11.946 2.519 -1.786 439 1HB CYS 65 HB2 CYS 65 -11.423 0.127 -2.652 440 2HB CYS 65 HB1 CYS 65 -12.920 0.257 -3.620 441 H HIS 66 HN HIS 66 -12.782 3.823 -3.698 442 HA HIS 66 HA HIS 66 -15.449 3.696 -4.453 443 1HB HIS 66 HB2 HIS 66 -15.951 6.102 -3.606 444 2HB HIS 66 HB1 HIS 66 -15.992 4.856 -2.320 445 HD1 HIS 66 HD1 HIS 66 -13.913 7.794 -3.453 446 HD2 HIS 66 HD2 HIS 66 -13.919 4.927 -0.385 447 HE1 HIS 66 HE1 HIS 66 -12.226 8.544 -1.718 448 HE2 HIS 66 HE2 HIS 66 -12.255 6.786 0.108 449 H SER 67 HN SER 67 -15.371 5.962 -6.065 450 HA SER 67 HA SER 67 -13.036 7.265 -6.397 451 1HB SER 67 HB2 SER 67 -13.488 4.851 -8.313 452 2HB SER 67 HB1 SER 67 -12.554 6.318 -8.802 453 HG SER 67 HG SER 67 -11.962 4.852 -6.451 454 1HN NH2 68 H1 NH2 68 -13.718 8.362 -8.788 455 2HN NH2 68 H2 NH2 68 -15.434 8.576 -8.936 Start of MODEL 4 1 1H VAL 1 HT1 VAL 1 6.037 13.050 4.999 2 2H VAL 1 HT2 VAL 1 7.514 12.401 5.560 3 3H VAL 1 HT3 VAL 1 6.114 12.299 6.525 4 HA VAL 1 HA VAL 1 5.804 11.163 3.937 5 HB VAL 1 HB VAL 1 6.961 8.996 4.632 6 1HG1 VAL 1 HG11 VAL 1 9.199 9.711 3.840 7 2HG1 VAL 1 HG12 VAL 1 8.766 11.442 4.082 8 3HG1 VAL 1 HG13 VAL 1 7.885 10.446 2.862 9 1HG2 VAL 1 HG21 VAL 1 7.254 9.531 7.087 10 2HG2 VAL 1 HG22 VAL 1 8.431 10.828 6.658 11 3HG2 VAL 1 HG23 VAL 1 8.805 9.113 6.287 12 H ARG 2 HN ARG 2 4.597 9.038 4.164 13 HA ARG 2 HA ARG 2 3.342 8.795 6.833 14 1HB ARG 2 HB2 ARG 2 1.501 7.517 5.887 15 2HB ARG 2 HB1 ARG 2 1.514 9.165 5.220 16 1HG ARG 2 HG2 ARG 2 2.916 6.991 3.616 17 2HG ARG 2 HG1 ARG 2 1.146 6.881 3.743 18 1HD ARG 2 HD2 ARG 2 2.365 9.549 2.856 19 2HD ARG 2 HD1 ARG 2 2.330 8.148 1.718 20 HE ARG 2 HE ARG 2 0.040 8.301 1.465 21 1HH1 ARG 2 HH21 ARG 2 1.009 10.569 4.058 22 2HH1 ARG 2 HH22 ARG 2 -0.440 11.507 3.936 23 1HH2 ARG 2 HH11 ARG 2 -1.811 9.592 1.271 24 2HH2 ARG 2 HH12 ARG 2 -2.084 10.921 2.351 25 H ASP 3 HN ASP 3 2.982 6.403 7.431 26 HA ASP 3 HA ASP 3 4.529 4.558 5.855 27 1HB ASP 3 HB2 ASP 3 4.165 4.288 8.932 28 2HB ASP 3 HB1 ASP 3 5.033 3.176 7.820 29 H GLY 4 HN GLY 4 2.768 2.936 5.380 30 1HA GLY 4 HA2 GLY 4 0.630 2.791 7.127 31 2HA GLY 4 HA1 GLY 4 0.201 3.724 5.610 32 H TYR 5 HN TYR 5 -1.067 1.471 5.434 33 HA TYR 5 HA TYR 5 0.631 -0.462 4.048 34 1HB TYR 5 HB2 TYR 5 -2.330 -0.257 4.823 35 2HB TYR 5 HB1 TYR 5 -1.869 -1.336 3.480 36 HD1 TYR 5 HD1 TYR 5 -2.081 -0.921 7.061 37 HD2 TYR 5 HD2 TYR 5 0.015 -3.092 4.004 38 HE1 TYR 5 HE1 TYR 5 -1.422 -2.620 8.711 39 HE2 TYR 5 HE2 TYR 5 0.725 -4.753 5.640 40 HH TYR 5 HH TYR 5 0.453 -5.547 7.789 41 H ILE 6 HN ILE 6 0.633 -0.434 1.686 42 HA ILE 6 HA ILE 6 -0.248 2.183 0.688 43 HB ILE 6 HB ILE 6 2.085 1.682 0.301 44 1HG1 ILE 6 HG12 ILE 6 0.379 1.783 -2.263 45 2HG1 ILE 6 HG11 ILE 6 0.789 3.181 -1.217 46 1HG2 ILE 6 HG21 ILE 6 2.032 -0.748 0.157 47 2HG2 ILE 6 HG22 ILE 6 2.728 -0.108 -1.362 48 3HG2 ILE 6 HG23 ILE 6 1.031 -0.699 -1.345 49 1HD1 ILE 6 HD11 ILE 6 3.289 2.692 -1.808 50 2HD1 ILE 6 HD12 ILE 6 2.237 3.207 -3.176 51 3HD1 ILE 6 HD13 ILE 6 2.658 1.471 -2.974 52 H ALA 7 HN ALA 7 -1.600 2.378 -1.014 53 HA ALA 7 HA ALA 7 -2.959 0.147 -2.181 54 1HB ALA 7 HB1 ALA 7 -4.364 2.622 -0.938 55 2HB ALA 7 HB2 ALA 7 -4.544 0.923 -0.411 56 3HB ALA 7 HB3 ALA 7 -5.156 1.391 -2.004 57 H GLN 8 HN GLN 8 -4.628 3.022 -2.931 58 HA GLN 8 HA GLN 8 -2.806 3.968 -4.884 59 1HB GLN 8 HB2 GLN 8 -5.431 2.420 -5.540 60 2HB GLN 8 HB1 GLN 8 -4.651 3.522 -6.718 61 1HG GLN 8 HG2 GLN 8 -2.685 2.023 -6.910 62 2HG GLN 8 HG1 GLN 8 -3.325 0.958 -5.599 63 1HE2 GLN 8 HE21 GLN 8 -4.710 -0.689 -6.194 64 2HE2 GLN 8 HE22 GLN 8 -5.592 -0.765 -7.685 65 HA PRO 9 HA PRO 9 -5.978 7.037 -3.980 66 1HB PRO 9 HB2 PRO 9 -5.938 7.548 -7.034 67 2HB PRO 9 HB1 PRO 9 -5.972 8.777 -5.708 68 1HG PRO 9 HG1 PRO 9 -3.617 8.176 -6.989 69 2HG PRO 9 HG2 PRO 9 -3.627 8.315 -5.179 70 1HD PRO 9 HD1 PRO 9 -3.728 5.752 -6.874 71 2HD PRO 9 HD2 PRO 9 -2.762 6.114 -5.369 72 H GLU 10 HN GLU 10 -9.232 5.771 -4.952 73 HA GLU 10 HA GLU 10 -7.765 7.960 -3.622 74 1HB GLU 10 HB2 GLU 10 -10.699 7.527 -4.288 75 2HB GLU 10 HB1 GLU 10 -10.182 8.687 -3.023 76 1HG GLU 10 HG2 GLU 10 -8.985 8.857 -5.845 77 2HG GLU 10 HG1 GLU 10 -10.609 9.548 -5.465 78 H ASN 11 HN ASN 11 -9.168 4.690 -3.176 79 HA ASN 11 HA ASN 11 -7.972 4.723 -0.711 80 1HB ASN 11 HB2 ASN 11 -10.327 5.441 0.145 81 2HB ASN 11 HB1 ASN 11 -11.044 4.094 -0.823 82 1HD2 ASN 11 HD22 ASN 11 -11.768 2.683 0.893 83 2HD2 ASN 11 HD21 ASN 11 -10.742 2.201 2.242 84 H CYS 12 HN CYS 12 -7.503 2.437 -0.651 85 HA CYS 12 HA CYS 12 -9.060 0.559 -1.876 86 1HB CYS 12 HB2 CYS 12 -7.297 1.752 -3.841 87 2HB CYS 12 HB1 CYS 12 -6.508 0.318 -3.403 88 H VAL 13 HN VAL 13 -6.899 -1.379 -2.248 89 HA VAL 13 HA VAL 13 -5.056 -1.037 -0.117 90 HB VAL 13 HB VAL 13 -5.031 -3.547 0.185 91 1HG1 VAL 13 HG11 VAL 13 -7.014 -3.658 1.747 92 2HG1 VAL 13 HG12 VAL 13 -7.588 -2.069 1.105 93 3HG1 VAL 13 HG13 VAL 13 -6.015 -2.189 1.983 94 1HG2 VAL 13 HG21 VAL 13 -6.307 -4.167 -1.898 95 2HG2 VAL 13 HG22 VAL 13 -7.814 -3.488 -1.166 96 3HG2 VAL 13 HG23 VAL 13 -6.978 -4.905 -0.417 97 H TYR 14 HN TYR 14 -3.103 -2.421 -1.090 98 HA TYR 14 HA TYR 14 -3.460 -2.683 -3.996 99 1HB TYR 14 HB2 TYR 14 -1.163 -1.963 -2.279 100 2HB TYR 14 HB1 TYR 14 -0.756 -3.475 -3.122 101 HD1 TYR 14 HD1 TYR 14 -2.218 -2.948 -5.811 102 HD2 TYR 14 HD2 TYR 14 0.285 -0.458 -3.346 103 HE1 TYR 14 HE1 TYR 14 -1.553 -1.663 -7.780 104 HE2 TYR 14 HE2 TYR 14 0.989 0.797 -5.330 105 HH TYR 14 HH TYR 14 -0.298 0.114 -8.593 106 H HIS 15 HN HIS 15 -1.670 -5.086 -4.142 107 HA HIS 15 HA HIS 15 -2.875 -6.824 -2.176 108 1HB HIS 15 HB2 HIS 15 -3.078 -7.279 -5.205 109 2HB HIS 15 HB1 HIS 15 -2.735 -8.658 -4.096 110 HD1 HIS 15 HD1 HIS 15 -5.378 -5.876 -4.238 111 HD2 HIS 15 HD2 HIS 15 -4.888 -9.854 -2.991 112 HE1 HIS 15 HE1 HIS 15 -7.617 -6.671 -3.355 113 HE2 HIS 15 HE2 HIS 15 -7.269 -9.070 -2.598 114 H CYS 16 HN CYS 16 -1.333 -8.755 -2.167 115 HA CYS 16 HA CYS 16 1.376 -7.886 -2.702 116 1HB CYS 16 HB2 CYS 16 0.973 -7.531 -0.199 117 2HB CYS 16 HB1 CYS 16 0.088 -9.069 -0.134 118 H PHE 17 HN PHE 17 2.458 -9.965 -3.307 119 HA PHE 17 HA PHE 17 0.632 -12.191 -3.742 120 1HB PHE 17 HB2 PHE 17 3.519 -11.898 -4.811 121 2HB PHE 17 HB1 PHE 17 2.215 -12.994 -5.385 122 HD1 PHE 17 HD1 PHE 17 4.136 -10.502 -6.533 123 HD2 PHE 17 HD2 PHE 17 -0.059 -11.181 -5.867 124 HE1 PHE 17 HE1 PHE 17 3.582 -8.785 -8.228 125 HE2 PHE 17 HE2 PHE 17 -0.607 -9.478 -7.560 126 HZ PHE 17 HZ PHE 17 1.215 -8.277 -8.749 127 HA PRO 18 HA PRO 18 2.654 -12.467 0.176 128 1HB PRO 18 HB2 PRO 18 2.297 -15.499 -0.247 129 2HB PRO 18 HB1 PRO 18 2.142 -14.597 1.318 130 1HG PRO 18 HG1 PRO 18 -0.063 -15.188 -0.262 131 2HG PRO 18 HG2 PRO 18 0.058 -13.605 0.611 132 1HD PRO 18 HD1 PRO 18 0.256 -14.084 -2.343 133 2HD PRO 18 HD2 PRO 18 0.030 -12.549 -1.416 134 H GLY 19 HN GLY 19 4.827 -11.762 -0.026 135 1HA GLY 19 HA2 GLY 19 6.963 -13.274 0.321 136 2HA GLY 19 HA1 GLY 19 6.659 -13.168 -1.496 137 H SER 20 HN SER 20 8.761 -11.520 -0.883 138 HA SER 20 HA SER 20 7.754 -9.011 0.053 139 1HB SER 20 HB2 SER 20 10.541 -9.585 -1.103 140 2HB SER 20 HB1 SER 20 10.072 -8.399 0.176 141 HG SER 20 HG SER 20 10.048 -10.006 1.608 142 H SER 21 HN SER 21 8.472 -10.668 -3.054 143 HA SER 21 HA SER 21 9.627 -8.767 -4.398 144 1HB SER 21 HB2 SER 21 7.877 -10.791 -5.843 145 2HB SER 21 HB1 SER 21 9.623 -10.406 -6.068 146 HG SER 21 HG SER 21 9.405 -12.397 -5.020 147 H GLY 22 HN GLY 22 6.141 -9.434 -4.384 148 1HA GLY 22 HA2 GLY 22 5.510 -7.732 -6.545 149 2HA GLY 22 HA1 GLY 22 4.398 -8.341 -5.247 150 H CYS 23 HN CYS 23 5.350 -7.318 -2.976 151 HA CYS 23 HA CYS 23 4.333 -4.695 -3.180 152 1HB CYS 23 HB2 CYS 23 5.773 -6.004 -0.786 153 2HB CYS 23 HB1 CYS 23 4.959 -4.403 -0.763 154 H ASP 24 HN ASP 24 7.615 -6.042 -2.666 155 HA ASP 24 HA ASP 24 9.047 -3.762 -2.311 156 1HB ASP 24 HB2 ASP 24 9.955 -6.153 -2.371 157 2HB ASP 24 HB1 ASP 24 9.838 -6.123 -4.153 158 H THR 25 HN THR 25 8.132 -5.209 -5.479 159 HA THR 25 HA THR 25 9.208 -3.233 -7.097 160 HB THR 25 HB THR 25 6.697 -4.891 -7.550 161 HG1 THR 25 HG1 THR 25 8.314 -6.318 -7.078 162 1HG2 THR 25 HG21 THR 25 7.035 -3.099 -9.300 163 2HG2 THR 25 HG22 THR 25 7.357 -4.717 -9.990 164 3HG2 THR 25 HG23 THR 25 8.739 -3.645 -9.536 165 H LEU 26 HN LEU 26 5.786 -3.563 -5.919 166 HA LEU 26 HA LEU 26 4.857 -1.320 -7.321 167 1HB LEU 26 HB2 LEU 26 3.777 -2.675 -4.782 168 2HB LEU 26 HB1 LEU 26 2.846 -1.488 -5.747 169 HG LEU 26 HG LEU 26 3.918 -4.101 -6.949 170 1HD1 LEU 26 HD11 LEU 26 1.198 -3.690 -5.569 171 2HD1 LEU 26 HD12 LEU 26 2.583 -4.656 -4.932 172 3HD1 LEU 26 HD13 LEU 26 1.744 -5.172 -6.438 173 1HD2 LEU 26 HD21 LEU 26 1.570 -2.307 -7.846 174 2HD2 LEU 26 HD22 LEU 26 2.092 -3.858 -8.592 175 3HD2 LEU 26 HD23 LEU 26 3.187 -2.429 -8.635 176 H CYS 27 HN CYS 27 5.992 -1.781 -3.965 177 HA CYS 27 HA CYS 27 5.411 0.798 -3.062 178 1HB CYS 27 HB2 CYS 27 5.974 -1.296 -1.677 179 2HB CYS 27 HB1 CYS 27 7.683 -1.084 -2.152 180 H LYS 28 HN LYS 28 8.420 -0.624 -4.621 181 HA LYS 28 HA LYS 28 9.869 1.764 -4.102 182 1HB LYS 28 HB2 LYS 28 10.389 -0.523 -6.065 183 2HB LYS 28 HB1 LYS 28 11.456 0.928 -5.949 184 1HG LYS 28 HG2 LYS 28 11.879 0.528 -3.571 185 2HG LYS 28 HG1 LYS 28 10.829 -0.919 -3.570 186 1HD LYS 28 HD2 LYS 28 12.339 -2.127 -5.043 187 2HD LYS 28 HD1 LYS 28 13.287 -0.637 -5.403 188 1HE LYS 28 HE2 LYS 28 14.152 -0.504 -3.117 189 2HE LYS 28 HE1 LYS 28 13.094 -1.878 -2.575 190 1HZ LYS 28 HZ1 LYS 28 14.296 -3.358 -3.907 191 2HZ LYS 28 HZ2 LYS 28 15.425 -2.444 -3.031 192 3HZ LYS 28 HZ3 LYS 28 15.177 -2.126 -4.677 193 H GLU 29 HN GLU 29 7.947 0.648 -6.953 194 HA GLU 29 HA GLU 29 8.812 2.791 -8.549 195 1HB GLU 29 HB2 GLU 29 7.080 2.233 -10.136 196 2HB GLU 29 HB1 GLU 29 7.876 0.741 -9.527 197 1HG GLU 29 HG2 GLU 29 5.921 0.375 -7.995 198 2HG GLU 29 HG1 GLU 29 5.103 1.817 -8.675 199 H LYS 30 HN LYS 30 6.622 2.836 -5.872 200 HA LYS 30 HA LYS 30 5.532 5.420 -6.813 201 1HB LYS 30 HB2 LYS 30 4.477 3.482 -4.684 202 2HB LYS 30 HB1 LYS 30 3.759 5.085 -5.075 203 1HG LYS 30 HG2 LYS 30 3.883 2.591 -6.875 204 2HG LYS 30 HG1 LYS 30 2.443 3.357 -6.123 205 1HD LYS 30 HD2 LYS 30 2.881 5.439 -7.531 206 2HD LYS 30 HD1 LYS 30 4.182 4.537 -8.384 207 1HE LYS 30 HE2 LYS 30 1.183 3.786 -8.353 208 2HE LYS 30 HE1 LYS 30 2.111 4.531 -9.718 209 1HZ LYS 30 HZ1 LYS 30 3.528 2.552 -9.711 210 2HZ LYS 30 HZ2 LYS 30 1.896 2.208 -10.048 211 3HZ LYS 30 HZ3 LYS 30 2.541 1.845 -8.522 212 H GLY 31 HN GLY 31 8.127 4.339 -5.175 213 1HA GLY 31 HA2 GLY 31 9.575 5.746 -4.287 214 2HA GLY 31 HA1 GLY 31 8.283 6.956 -3.993 215 H GLY 32 HN GLY 32 8.111 3.565 -2.756 216 1HA GLY 32 HA2 GLY 32 8.332 4.635 -0.062 217 2HA GLY 32 HA1 GLY 32 7.923 2.978 -0.607 218 H THR 33 HN THR 33 9.895 4.118 1.389 219 HA THR 33 HA THR 33 12.480 3.745 0.210 220 HB THR 33 HB THR 33 11.637 4.311 3.105 221 HG1 THR 33 HG1 THR 33 10.855 5.973 1.887 222 1HG2 THR 33 HG21 THR 33 14.322 4.684 1.592 223 2HG2 THR 33 HG22 THR 33 13.999 3.601 2.994 224 3HG2 THR 33 HG23 THR 33 13.960 5.381 3.225 225 H SER 34 HN SER 34 10.105 1.785 1.984 226 HA SER 34 HA SER 34 11.726 -0.435 1.476 227 1HB SER 34 HB2 SER 34 10.976 0.223 4.423 228 2HB SER 34 HB1 SER 34 11.569 -1.392 3.837 229 HG SER 34 HG SER 34 13.153 0.725 3.096 230 H GLY 35 HN GLY 35 10.080 -2.331 1.763 231 1HA GLY 35 HA2 GLY 35 7.375 -1.442 1.879 232 2HA GLY 35 HA1 GLY 35 8.093 -2.047 0.302 233 H HIS 36 HN HIS 36 6.153 -3.372 2.319 234 HA HIS 36 HA HIS 36 7.698 -5.767 2.797 235 1HB HIS 36 HB2 HIS 36 6.189 -4.361 5.104 236 2HB HIS 36 HB1 HIS 36 7.058 -5.924 5.208 237 HD1 HIS 36 HD1 HIS 36 7.488 -3.342 7.011 238 HD2 HIS 36 HD2 HIS 36 10.026 -4.654 3.935 239 HE1 HIS 36 HE1 HIS 36 9.799 -2.447 7.506 240 HE2 HIS 36 HE2 HIS 36 11.304 -3.295 5.651 241 H CYS 37 HN CYS 37 5.420 -6.911 4.400 242 HA CYS 37 HA CYS 37 3.095 -6.483 2.906 243 1HB CYS 37 HB2 CYS 37 4.377 -7.905 1.236 244 2HB CYS 37 HB1 CYS 37 4.825 -9.042 2.533 245 H GLY 38 HN GLY 38 1.617 -8.191 4.119 246 1HA GLY 38 HA2 GLY 38 1.651 -9.792 5.931 247 2HA GLY 38 HA1 GLY 38 2.732 -8.635 6.817 248 H PHE 39 HN PHE 39 -0.616 -9.281 5.625 249 HA PHE 39 HA PHE 39 -1.567 -7.583 7.569 250 1HB PHE 39 HB2 PHE 39 -1.301 -6.061 5.359 251 2HB PHE 39 HB1 PHE 39 -2.618 -7.071 4.704 252 HD1 PHE 39 HD1 PHE 39 -3.338 -4.619 4.480 253 HD2 PHE 39 HD2 PHE 39 -3.290 -6.604 8.315 254 HE1 PHE 39 HE1 PHE 39 -4.754 -2.851 5.432 255 HE2 PHE 39 HE2 PHE 39 -4.721 -4.874 9.222 256 HZ PHE 39 HZ PHE 39 -5.434 -2.951 7.813 257 H LYS 40 HN LYS 40 -3.919 -8.553 7.703 258 HA LYS 40 HA LYS 40 -4.419 -10.650 5.750 259 1HB LYS 40 HB2 LYS 40 -4.839 -11.025 8.804 260 2HB LYS 40 HB1 LYS 40 -5.216 -12.200 7.510 261 1HG LYS 40 HG2 LYS 40 -2.520 -11.914 7.060 262 2HG LYS 40 HG1 LYS 40 -2.565 -11.458 8.786 263 1HD LYS 40 HD2 LYS 40 -2.112 -13.799 8.778 264 2HD LYS 40 HD1 LYS 40 -3.850 -13.689 9.203 265 1HE LYS 40 HE2 LYS 40 -3.456 -15.522 7.556 266 2HE LYS 40 HE1 LYS 40 -4.428 -14.216 6.767 267 1HZ LYS 40 HZ1 LYS 40 -2.333 -13.352 5.872 268 2HZ LYS 40 HZ2 LYS 40 -2.699 -14.918 5.325 269 3HZ LYS 40 HZ3 LYS 40 -1.503 -14.690 6.510 270 H VAL 41 HN VAL 41 -5.199 -7.766 6.332 271 HA VAL 41 HA VAL 41 -7.999 -8.086 6.685 272 HB VAL 41 HB VAL 41 -6.741 -6.003 8.521 273 1HG1 VAL 41 HG11 VAL 41 -8.877 -6.373 9.750 274 2HG1 VAL 41 HG12 VAL 41 -9.297 -7.744 8.649 275 3HG1 VAL 41 HG13 VAL 41 -9.247 -6.061 8.025 276 1HG2 VAL 41 HG21 VAL 41 -7.072 -8.964 9.302 277 2HG2 VAL 41 HG22 VAL 41 -6.830 -7.605 10.456 278 3HG2 VAL 41 HG23 VAL 41 -5.536 -8.009 9.281 279 H GLY 42 HN GLY 42 -8.228 -5.132 6.984 280 1HA GLY 42 HA2 GLY 42 -7.644 -3.209 5.921 281 2HA GLY 42 HA1 GLY 42 -6.750 -4.160 4.656 282 H HIS 43 HN HIS 43 -7.866 -5.230 3.100 283 HA HIS 43 HA HIS 43 -10.778 -5.043 3.018 284 1HB HIS 43 HB2 HIS 43 -8.852 -4.484 0.671 285 2HB HIS 43 HB1 HIS 43 -10.604 -4.730 0.491 286 HD1 HIS 43 HD1 HIS 43 -10.214 -2.372 -0.747 287 HD2 HIS 43 HD2 HIS 43 -9.930 -2.253 3.435 288 HE1 HIS 43 HE1 HIS 43 -10.351 0.066 -0.039 289 HE2 HIS 43 HE2 HIS 43 -10.133 0.081 2.485 290 H GLY 44 HN GLY 44 -7.656 -6.308 1.461 291 1HA GLY 44 HA2 GLY 44 -8.303 -8.881 2.480 292 2HA GLY 44 HA1 GLY 44 -8.492 -8.704 0.681 293 H LEU 45 HN LEU 45 -6.285 -7.652 3.349 294 HA LEU 45 HA LEU 45 -4.316 -7.438 3.577 295 1HB LEU 45 HB2 LEU 45 -2.904 -8.980 3.439 296 2HB LEU 45 HB1 LEU 45 -4.147 -9.899 2.594 297 HG LEU 45 HG LEU 45 -1.827 -8.385 1.238 298 1HD1 LEU 45 HD11 LEU 45 -2.230 -11.384 1.830 299 2HD1 LEU 45 HD12 LEU 45 -1.082 -10.279 2.668 300 3HD1 LEU 45 HD13 LEU 45 -0.847 -10.671 0.920 301 1HD2 LEU 45 HD21 LEU 45 -2.400 -9.788 -0.788 302 2HD2 LEU 45 HD22 LEU 45 -3.701 -8.610 -0.389 303 3HD2 LEU 45 HD23 LEU 45 -3.889 -10.358 0.031 304 H ALA 46 HN ALA 46 -1.999 -6.435 2.279 305 HA ALA 46 HA ALA 46 -2.829 -4.833 0.151 306 1HB ALA 46 HB1 ALA 46 -2.540 -2.596 1.249 307 2HB ALA 46 HB2 ALA 46 -2.249 -3.392 2.844 308 3HB ALA 46 HB3 ALA 46 -3.878 -3.458 2.095 309 H CYS 47 HN CYS 47 -0.582 -2.980 0.433 310 HA CYS 47 HA CYS 47 1.574 -4.959 1.044 311 1HB CYS 47 HB2 CYS 47 1.353 -2.766 -1.088 312 2HB CYS 47 HB1 CYS 47 2.955 -3.219 -0.423 313 H TRP 48 HN TRP 48 3.480 -3.777 2.136 314 HA TRP 48 HA TRP 48 2.356 -1.467 3.649 315 1HB TRP 48 HB2 TRP 48 2.815 -3.272 5.239 316 2HB TRP 48 HB1 TRP 48 4.411 -3.564 4.500 317 HD1 TRP 48 HD1 TRP 48 6.438 -1.851 5.221 318 HE1 TRP 48 HE1 TRP 48 6.675 -0.170 7.205 319 HE3 TRP 48 HE3 TRP 48 1.553 -1.576 6.635 320 HZ2 TRP 48 HZ2 TRP 48 5.018 1.079 9.070 321 HZ3 TRP 48 HZ3 TRP 48 0.920 -0.088 8.509 322 HH2 TRP 48 HH2 TRP 48 2.634 1.231 9.705 323 H CYS 49 HN CYS 49 3.808 0.380 3.797 324 HA CYS 49 HA CYS 49 6.294 0.143 2.375 325 1HB CYS 49 HB2 CYS 49 4.131 2.248 1.783 326 2HB CYS 49 HB1 CYS 49 5.880 2.548 1.493 327 H ASN 50 HN ASN 50 7.773 1.631 3.266 328 HA ASN 50 HA ASN 50 6.788 2.979 5.681 329 1HB ASN 50 HB2 ASN 50 8.537 0.769 5.663 330 2HB ASN 50 HB1 ASN 50 9.715 2.117 5.552 331 1HD2 ASN 50 HD22 ASN 50 9.481 3.865 7.334 332 2HD2 ASN 50 HD21 ASN 50 8.900 3.365 8.891 333 H ALA 51 HN ALA 51 7.228 5.134 5.518 334 HA ALA 51 HA ALA 51 7.761 7.018 4.780 335 1HB ALA 51 HB1 ALA 51 10.073 7.576 3.998 336 2HB ALA 51 HB2 ALA 51 10.436 5.821 3.942 337 3HB ALA 51 HB3 ALA 51 10.080 6.597 5.515 338 H LEU 52 HN LEU 52 6.010 6.831 3.327 339 HA LEU 52 HA LEU 52 6.839 6.932 0.495 340 1HB LEU 52 HB2 LEU 52 4.065 6.661 1.799 341 2HB LEU 52 HB1 LEU 52 4.263 7.214 0.106 342 HG LEU 52 HG LEU 52 5.322 4.539 1.122 343 1HD1 LEU 52 HD11 LEU 52 2.865 4.586 1.487 344 2HD1 LEU 52 HD12 LEU 52 3.262 3.526 0.087 345 3HD1 LEU 52 HD13 LEU 52 2.591 5.166 -0.206 346 1HD2 LEU 52 HD21 LEU 52 5.373 3.877 -1.254 347 2HD2 LEU 52 HD22 LEU 52 6.285 5.419 -1.059 348 3HD2 LEU 52 HD23 LEU 52 4.649 5.441 -1.762 349 HA PRO 53 HA PRO 53 6.160 11.259 1.534 350 1HB PRO 53 HB2 PRO 53 5.634 11.561 -1.474 351 2HB PRO 53 HB1 PRO 53 6.748 12.537 -0.437 352 1HG PRO 53 HG1 PRO 53 7.738 10.641 -2.145 353 2HG PRO 53 HG2 PRO 53 8.413 10.784 -0.473 354 1HD PRO 53 HD1 PRO 53 6.282 8.782 -1.461 355 2HD PRO 53 HD2 PRO 53 7.766 8.485 -0.482 356 H ASP 54 HN ASP 54 4.331 12.984 1.180 357 HA ASP 54 HA ASP 54 1.987 11.451 1.756 358 1HB ASP 54 HB2 ASP 54 2.528 14.461 1.765 359 2HB ASP 54 HB1 ASP 54 1.093 13.638 2.523 360 H ASN 55 HN ASN 55 3.049 12.005 -1.109 361 HA ASN 55 HA ASN 55 0.530 13.038 -2.252 362 1HB ASN 55 HB2 ASN 55 1.814 13.543 -4.329 363 2HB ASN 55 HB1 ASN 55 2.427 14.449 -2.912 364 1HD2 ASN 55 HD21 ASN 55 3.114 11.535 -4.957 365 2HD2 ASN 55 HD22 ASN 55 4.839 11.553 -4.674 366 H VAL 56 HN VAL 56 1.702 10.205 -1.231 367 HA VAL 56 HA VAL 56 0.911 8.753 -3.659 368 HB VAL 56 HB VAL 56 2.132 7.580 -1.104 369 1HG1 VAL 56 HG11 VAL 56 2.751 5.731 -2.683 370 2HG1 VAL 56 HG12 VAL 56 2.011 6.628 -4.054 371 3HG1 VAL 56 HG13 VAL 56 0.975 6.019 -2.714 372 1HG2 VAL 56 HG21 VAL 56 3.617 8.812 -3.527 373 2HG2 VAL 56 HG22 VAL 56 4.374 7.704 -2.311 374 3HG2 VAL 56 HG23 VAL 56 3.763 9.289 -1.815 375 H GLY 57 HN GLY 57 -1.118 7.428 -3.285 376 1HA GLY 57 HA2 GLY 57 -2.467 8.308 -0.829 377 2HA GLY 57 HA1 GLY 57 -3.242 7.843 -2.408 378 H ILE 58 HN ILE 58 -3.578 6.714 0.393 379 HA ILE 58 HA ILE 58 -2.576 4.023 -0.046 380 HB ILE 58 HB ILE 58 -1.754 3.928 2.251 381 1HG1 ILE 58 HG12 ILE 58 -1.841 6.971 2.508 382 2HG1 ILE 58 HG11 ILE 58 -3.244 5.998 3.057 383 1HG2 ILE 58 HG21 ILE 58 -0.386 6.283 0.806 384 2HG2 ILE 58 HG22 ILE 58 -0.257 4.574 0.251 385 3HG2 ILE 58 HG23 ILE 58 0.357 5.041 1.873 386 1HD1 ILE 58 HD11 ILE 58 -1.588 6.402 4.905 387 2HD1 ILE 58 HD12 ILE 58 -0.355 5.453 3.980 388 3HD1 ILE 58 HD13 ILE 58 -1.858 4.655 4.564 389 H ILE 59 HN ILE 59 -3.450 3.259 2.723 390 HA ILE 59 HA ILE 59 -6.179 2.835 2.119 391 HB ILE 59 HB ILE 59 -4.962 2.505 4.912 392 1HG1 ILE 59 HG12 ILE 59 -3.382 1.384 3.651 393 2HG1 ILE 59 HG11 ILE 59 -4.450 0.188 4.435 394 1HG2 ILE 59 HG21 ILE 59 -7.284 1.140 3.371 395 2HG2 ILE 59 HG22 ILE 59 -7.434 2.288 4.753 396 3HG2 ILE 59 HG23 ILE 59 -6.708 0.667 5.015 397 1HD1 ILE 59 HD11 ILE 59 -3.877 -0.539 2.127 398 2HD1 ILE 59 HD12 ILE 59 -4.502 1.019 1.482 399 3HD1 ILE 59 HD13 ILE 59 -5.642 -0.152 2.218 400 H VAL 60 HN VAL 60 -7.828 4.210 2.513 401 HA VAL 60 HA VAL 60 -7.447 6.501 4.287 402 HB VAL 60 HB VAL 60 -9.738 5.670 2.416 403 1HG1 VAL 60 HG11 VAL 60 -10.681 6.935 4.294 404 2HG1 VAL 60 HG12 VAL 60 -10.599 8.001 2.849 405 3HG1 VAL 60 HG13 VAL 60 -9.374 8.177 4.167 406 1HG2 VAL 60 HG21 VAL 60 -8.907 7.649 1.080 407 2HG2 VAL 60 HG22 VAL 60 -7.672 6.354 1.195 408 3HG2 VAL 60 HG23 VAL 60 -7.529 7.832 2.220 409 H GLU 61 HN GLU 61 -9.654 3.613 3.813 410 HA GLU 61 HA GLU 61 -9.793 3.395 6.668 411 1HB GLU 61 HB2 GLU 61 -11.700 5.077 5.835 412 2HB GLU 61 HB1 GLU 61 -12.440 3.642 5.092 413 1HG GLU 61 HG2 GLU 61 -13.446 3.161 7.091 414 2HG GLU 61 HG1 GLU 61 -11.828 2.872 7.817 415 H GLY 62 HN GLY 62 -10.661 1.178 7.099 416 1HA GLY 62 HA2 GLY 62 -10.286 -0.622 4.850 417 2HA GLY 62 HA1 GLY 62 -10.567 -1.005 6.600 418 H GLU 63 HN GLU 63 -12.123 0.633 3.868 419 HA GLU 63 HA GLU 63 -14.742 -0.444 4.680 420 1HB GLU 63 HB2 GLU 63 -14.479 2.007 5.228 421 2HB GLU 63 HB1 GLU 63 -14.070 2.337 3.521 422 1HG GLU 63 HG2 GLU 63 -16.439 1.375 2.933 423 2HG GLU 63 HG1 GLU 63 -16.752 1.328 4.707 424 H LYS 64 HN LYS 64 -13.968 1.554 1.762 425 HA LYS 64 HA LYS 64 -14.202 -0.835 0.143 426 1HB LYS 64 HB2 LYS 64 -16.568 -0.017 0.660 427 2HB LYS 64 HB1 LYS 64 -16.109 1.617 0.097 428 1HG LYS 64 HG2 LYS 64 -17.439 0.487 -1.612 429 2HG LYS 64 HG1 LYS 64 -15.773 0.744 -2.208 430 1HD LYS 64 HD2 LYS 64 -15.284 -1.723 -1.568 431 2HD LYS 64 HD1 LYS 64 -17.020 -1.884 -1.136 432 1HE LYS 64 HE2 LYS 64 -16.590 -2.767 -3.429 433 2HE LYS 64 HE1 LYS 64 -17.635 -1.290 -3.534 434 1HZ LYS 64 HZ1 LYS 64 -15.877 -1.269 -5.156 435 2HZ LYS 64 HZ2 LYS 64 -14.690 -1.373 -3.946 436 3HZ LYS 64 HZ3 LYS 64 -15.686 -0.005 -4.039 437 H CYS 65 HN CYS 65 -13.433 -0.287 -1.995 438 HA CYS 65 HA CYS 65 -11.358 1.738 -1.960 439 1HB CYS 65 HB2 CYS 65 -10.792 -0.587 -2.733 440 2HB CYS 65 HB1 CYS 65 -12.152 -0.562 -3.882 441 H HIS 66 HN HIS 66 -11.226 3.338 -3.834 442 HA HIS 66 HA HIS 66 -13.251 3.298 -5.723 443 1HB HIS 66 HB2 HIS 66 -14.392 5.464 -5.288 444 2HB HIS 66 HB1 HIS 66 -14.753 4.338 -3.949 445 HD1 HIS 66 HD1 HIS 66 -12.524 4.777 -1.974 446 HD2 HIS 66 HD2 HIS 66 -14.136 7.928 -4.225 447 HE1 HIS 66 HE1 HIS 66 -12.014 6.926 -0.726 448 HE2 HIS 66 HE2 HIS 66 -12.994 8.802 -2.123 449 H SER 67 HN SER 67 -12.896 5.555 -7.062 450 HA SER 67 HA SER 67 -10.535 6.900 -6.510 451 1HB SER 67 HB2 SER 67 -10.861 5.322 -9.174 452 2HB SER 67 HB1 SER 67 -9.548 6.514 -8.825 453 HG SER 67 HG SER 67 -8.652 5.006 -7.374 454 1HN NH2 68 H1 NH2 68 -12.559 9.019 -8.751 455 2HN NH2 68 H2 NH2 68 -10.903 8.770 -8.275 Start of MODEL 5 1 1H VAL 1 HT1 VAL 1 5.933 11.967 6.646 2 2H VAL 1 HT2 VAL 1 4.779 12.741 5.672 3 3H VAL 1 HT3 VAL 1 6.405 12.679 5.172 4 HA VAL 1 HA VAL 1 5.008 11.149 3.988 5 HB VAL 1 HB VAL 1 6.369 9.067 4.337 6 1HG1 VAL 1 HG11 VAL 1 7.241 10.946 2.949 7 2HG1 VAL 1 HG12 VAL 1 8.559 10.054 3.784 8 3HG1 VAL 1 HG13 VAL 1 8.040 11.667 4.397 9 1HG2 VAL 1 HG21 VAL 1 8.143 9.021 6.101 10 2HG2 VAL 1 HG22 VAL 1 6.504 9.054 6.827 11 3HG2 VAL 1 HG23 VAL 1 7.512 10.549 6.805 12 H ARG 2 HN ARG 2 4.070 8.844 4.086 13 HA ARG 2 HA ARG 2 2.630 8.416 6.644 14 1HB ARG 2 HB2 ARG 2 2.129 6.961 3.961 15 2HB ARG 2 HB1 ARG 2 1.253 6.741 5.509 16 1HG ARG 2 HG2 ARG 2 -0.260 7.918 4.353 17 2HG ARG 2 HG1 ARG 2 0.532 9.277 5.210 18 1HD ARG 2 HD2 ARG 2 1.490 10.121 3.174 19 2HD ARG 2 HD1 ARG 2 1.559 8.478 2.429 20 HE ARG 2 HE ARG 2 -0.536 8.775 1.532 21 1HH1 ARG 2 HH21 ARG 2 -0.277 11.145 4.224 22 2HH1 ARG 2 HH22 ARG 2 -1.754 11.941 3.806 23 1HH2 ARG 2 HH11 ARG 2 -2.450 9.893 0.992 24 2HH2 ARG 2 HH12 ARG 2 -3.006 11.228 1.948 25 H ASP 3 HN ASP 3 2.754 6.104 7.445 26 HA ASP 3 HA ASP 3 4.476 4.356 5.944 27 1HB ASP 3 HB2 ASP 3 4.247 4.482 9.058 28 2HB ASP 3 HB1 ASP 3 4.975 3.125 8.123 29 H GLY 4 HN GLY 4 2.833 2.638 5.455 30 1HA GLY 4 HA2 GLY 4 0.746 2.333 7.295 31 2HA GLY 4 HA1 GLY 4 0.244 3.239 5.786 32 H TYR 5 HN TYR 5 -0.983 0.945 5.732 33 HA TYR 5 HA TYR 5 0.639 -0.969 4.270 34 1HB TYR 5 HB2 TYR 5 -2.335 -0.732 4.949 35 2HB TYR 5 HB1 TYR 5 -1.791 -1.811 3.612 36 HD1 TYR 5 HD1 TYR 5 -1.479 -1.134 7.297 37 HD2 TYR 5 HD2 TYR 5 -0.839 -3.929 4.092 38 HE1 TYR 5 HE1 TYR 5 -1.136 -2.934 8.938 39 HE2 TYR 5 HE2 TYR 5 -0.569 -5.750 5.727 40 HH TYR 5 HH TYR 5 -1.326 -6.273 8.038 41 H ILE 6 HN ILE 6 0.512 -1.008 1.929 42 HA ILE 6 HA ILE 6 -0.389 1.558 0.811 43 HB ILE 6 HB ILE 6 1.973 1.052 0.372 44 1HG1 ILE 6 HG12 ILE 6 0.089 1.280 -2.045 45 2HG1 ILE 6 HG11 ILE 6 0.758 2.601 -1.032 46 1HG2 ILE 6 HG21 ILE 6 0.869 -1.298 -1.295 47 2HG2 ILE 6 HG22 ILE 6 1.863 -1.393 0.214 48 3HG2 ILE 6 HG23 ILE 6 2.571 -0.713 -1.276 49 1HD1 ILE 6 HD11 ILE 6 3.087 1.943 -1.871 50 2HD1 ILE 6 HD12 ILE 6 1.963 2.544 -3.133 51 3HD1 ILE 6 HD13 ILE 6 2.283 0.778 -2.993 52 H ALA 7 HN ALA 7 -1.742 1.535 -1.065 53 HA ALA 7 HA ALA 7 -3.113 -0.785 -1.831 54 1HB ALA 7 HB1 ALA 7 -5.304 0.840 -1.647 55 2HB ALA 7 HB2 ALA 7 -4.403 1.521 -0.265 56 3HB ALA 7 HB3 ALA 7 -4.876 -0.223 -0.286 57 H GLN 8 HN GLN 8 -4.586 0.253 -3.649 58 HA GLN 8 HA GLN 8 -2.793 1.823 -5.236 59 1HB GLN 8 HB2 GLN 8 -5.636 0.734 -5.783 60 2HB GLN 8 HB1 GLN 8 -4.505 1.360 -7.032 61 1HG GLN 8 HG2 GLN 8 -2.962 -0.523 -6.643 62 2HG GLN 8 HG1 GLN 8 -3.936 -1.123 -5.257 63 1HE2 GLN 8 HE21 GLN 8 -5.368 -2.774 -5.740 64 2HE2 GLN 8 HE22 GLN 8 -6.029 -3.069 -7.330 65 HA PRO 9 HA PRO 9 -5.128 5.589 -4.506 66 1HB PRO 9 HB2 PRO 9 -4.995 5.831 -7.560 67 2HB PRO 9 HB1 PRO 9 -4.760 7.130 -6.319 68 1HG PRO 9 HG1 PRO 9 -2.582 5.930 -7.457 69 2HG PRO 9 HG2 PRO 9 -2.616 6.183 -5.660 70 1HD PRO 9 HD1 PRO 9 -3.214 3.602 -7.211 71 2HD PRO 9 HD2 PRO 9 -2.270 3.852 -5.668 72 H GLU 10 HN GLU 10 -8.577 4.586 -5.123 73 HA GLU 10 HA GLU 10 -6.537 5.403 -3.211 74 1HB GLU 10 HB2 GLU 10 -9.428 6.404 -3.699 75 2HB GLU 10 HB1 GLU 10 -8.615 6.645 -2.155 76 1HG GLU 10 HG2 GLU 10 -7.736 7.780 -4.901 77 2HG GLU 10 HG1 GLU 10 -8.558 8.692 -3.581 78 H ASN 11 HN ASN 11 -6.576 3.955 -1.516 79 HA ASN 11 HA ASN 11 -7.308 2.592 -0.036 80 1HB ASN 11 HB2 ASN 11 -8.971 4.590 0.079 81 2HB ASN 11 HB1 ASN 11 -10.170 3.503 -0.683 82 1HD2 ASN 11 HD22 ASN 11 -11.444 3.739 1.249 83 2HD2 ASN 11 HD21 ASN 11 -10.995 3.040 2.777 84 H CYS 12 HN CYS 12 -7.098 1.362 -2.635 85 HA CYS 12 HA CYS 12 -8.951 -0.901 -2.136 86 1HB CYS 12 HB2 CYS 12 -7.972 -0.244 -4.965 87 2HB CYS 12 HB1 CYS 12 -9.313 -1.321 -4.466 88 H VAL 13 HN VAL 13 -7.572 -2.723 -1.673 89 HA VAL 13 HA VAL 13 -4.977 -2.022 -1.310 90 HB VAL 13 HB VAL 13 -4.552 -4.489 -0.758 91 1HG1 VAL 13 HG11 VAL 13 -6.652 -2.698 0.626 92 2HG1 VAL 13 HG12 VAL 13 -4.863 -2.678 0.851 93 3HG1 VAL 13 HG13 VAL 13 -5.809 -4.110 1.379 94 1HG2 VAL 13 HG21 VAL 13 -6.468 -5.375 -2.164 95 2HG2 VAL 13 HG22 VAL 13 -7.636 -4.584 -1.033 96 3HG2 VAL 13 HG23 VAL 13 -6.524 -5.859 -0.434 97 H TYR 14 HN TYR 14 -2.975 -3.104 -1.778 98 HA TYR 14 HA TYR 14 -2.693 -3.411 -4.644 99 1HB TYR 14 HB2 TYR 14 -1.307 -1.683 -2.675 100 2HB TYR 14 HB1 TYR 14 -0.163 -2.920 -3.154 101 HD1 TYR 14 HD1 TYR 14 -0.761 -3.433 -6.033 102 HD2 TYR 14 HD2 TYR 14 -0.612 0.261 -3.833 103 HE1 TYR 14 HE1 TYR 14 -0.352 -2.213 -8.117 104 HE2 TYR 14 HE2 TYR 14 -0.191 1.490 -5.912 105 HH TYR 14 HH TYR 14 -0.053 -0.168 -9.100 106 H HIS 15 HN HIS 15 -2.158 -5.643 -5.028 107 HA HIS 15 HA HIS 15 -2.064 -7.179 -2.577 108 1HB HIS 15 HB2 HIS 15 -2.445 -8.033 -5.481 109 2HB HIS 15 HB1 HIS 15 -2.230 -9.181 -4.111 110 HD1 HIS 15 HD1 HIS 15 -4.672 -6.424 -5.160 111 HD2 HIS 15 HD2 HIS 15 -4.419 -9.665 -2.500 112 HE1 HIS 15 HE1 HIS 15 -6.956 -6.720 -4.097 113 HE2 HIS 15 HE2 HIS 15 -6.747 -8.664 -2.493 114 H CYS 16 HN CYS 16 -0.352 -8.064 -1.763 115 HA CYS 16 HA CYS 16 2.237 -7.724 -2.928 116 1HB CYS 16 HB2 CYS 16 1.744 -7.460 -0.436 117 2HB CYS 16 HB1 CYS 16 1.215 -9.161 -0.383 118 H PHE 17 HN PHE 17 3.666 -9.697 -3.156 119 HA PHE 17 HA PHE 17 2.165 -12.070 -3.978 120 1HB PHE 17 HB2 PHE 17 4.936 -11.024 -4.907 121 2HB PHE 17 HB1 PHE 17 4.107 -12.515 -5.479 122 HD1 PHE 17 HD1 PHE 17 1.889 -12.262 -6.744 123 HD2 PHE 17 HD2 PHE 17 4.350 -8.865 -5.772 124 HE1 PHE 17 HE1 PHE 17 0.655 -10.888 -8.386 125 HE2 PHE 17 HE2 PHE 17 3.111 -7.498 -7.409 126 HZ PHE 17 HZ PHE 17 1.257 -8.502 -8.715 127 HA PRO 18 HA PRO 18 4.139 -12.702 0.000 128 1HB PRO 18 HB2 PRO 18 3.627 -15.630 -0.822 129 2HB PRO 18 HB1 PRO 18 3.507 -14.935 0.849 130 1HG PRO 18 HG1 PRO 18 1.249 -15.195 -0.681 131 2HG PRO 18 HG2 PRO 18 1.529 -13.654 0.237 132 1HD PRO 18 HD1 PRO 18 1.843 -14.145 -2.745 133 2HD PRO 18 HD2 PRO 18 1.396 -12.633 -1.838 134 H GLY 19 HN GLY 19 6.280 -12.340 0.232 135 1HA GLY 19 HA2 GLY 19 8.486 -13.641 -0.038 136 2HA GLY 19 HA1 GLY 19 8.039 -13.364 -1.792 137 H SER 20 HN SER 20 6.591 -11.171 -1.733 138 HA SER 20 HA SER 20 6.284 -9.076 -1.246 139 1HB SER 20 HB2 SER 20 9.033 -8.569 -0.030 140 2HB SER 20 HB1 SER 20 7.553 -7.541 0.054 141 HG SER 20 HG SER 20 8.132 -10.037 1.229 142 H SER 21 HN SER 21 8.754 -10.614 -2.966 143 HA SER 21 HA SER 21 10.405 -8.845 -3.832 144 1HB SER 21 HB2 SER 21 9.268 -10.997 -5.699 145 2HB SER 21 HB1 SER 21 10.988 -10.494 -5.466 146 HG SER 21 HG SER 21 10.607 -12.397 -4.357 147 H GLY 22 HN GLY 22 7.265 -9.464 -5.550 148 1HA GLY 22 HA2 GLY 22 7.967 -7.671 -7.643 149 2HA GLY 22 HA1 GLY 22 6.349 -8.388 -7.288 150 H CYS 23 HN CYS 23 6.420 -7.325 -4.496 151 HA CYS 23 HA CYS 23 5.155 -4.827 -5.147 152 1HB CYS 23 HB2 CYS 23 4.154 -6.345 -3.361 153 2HB CYS 23 HB1 CYS 23 5.585 -6.000 -2.340 154 H ASP 24 HN ASP 24 8.294 -5.994 -3.963 155 HA ASP 24 HA ASP 24 9.135 -3.639 -2.778 156 1HB ASP 24 HB2 ASP 24 10.296 -5.935 -2.714 157 2HB ASP 24 HB1 ASP 24 10.943 -5.577 -4.353 158 H THR 25 HN THR 25 9.322 -4.696 -6.268 159 HA THR 25 HA THR 25 10.430 -2.338 -7.207 160 HB THR 25 HB THR 25 8.594 -3.217 -9.191 161 HG1 THR 25 HG1 THR 25 8.141 -5.079 -7.969 162 1HG2 THR 25 HG21 THR 25 10.683 -4.158 -10.215 163 2HG2 THR 25 HG22 THR 25 11.541 -4.014 -8.638 164 3HG2 THR 25 HG23 THR 25 10.988 -2.533 -9.503 165 H LEU 26 HN LEU 26 6.929 -3.196 -6.716 166 HA LEU 26 HA LEU 26 5.958 -0.840 -7.873 167 1HB LEU 26 HB2 LEU 26 4.655 -2.501 -5.621 168 2HB LEU 26 HB1 LEU 26 3.827 -1.296 -6.652 169 HG LEU 26 HG LEU 26 5.045 -3.963 -7.584 170 1HD1 LEU 26 HD11 LEU 26 2.098 -3.099 -7.316 171 2HD1 LEU 26 HD12 LEU 26 2.971 -4.211 -6.198 172 3HD1 LEU 26 HD13 LEU 26 2.706 -4.685 -7.917 173 1HD2 LEU 26 HD21 LEU 26 3.487 -1.864 -9.223 174 2HD2 LEU 26 HD22 LEU 26 3.923 -3.524 -9.777 175 3HD2 LEU 26 HD23 LEU 26 5.219 -2.330 -9.439 176 H CYS 27 HN CYS 27 6.703 -1.684 -4.483 177 HA CYS 27 HA CYS 27 5.819 0.665 -3.311 178 1HB CYS 27 HB2 CYS 27 6.463 -1.542 -2.153 179 2HB CYS 27 HB1 CYS 27 8.179 -1.102 -2.379 180 H LYS 28 HN LYS 28 9.026 -0.276 -4.690 181 HA LYS 28 HA LYS 28 10.381 1.999 -3.837 182 1HB LYS 28 HB2 LYS 28 11.462 -0.098 -4.712 183 2HB LYS 28 HB1 LYS 28 10.863 0.302 -6.349 184 1HG LYS 28 HG2 LYS 28 12.290 2.499 -6.166 185 2HG LYS 28 HG1 LYS 28 12.896 1.834 -4.617 186 1HD LYS 28 HD2 LYS 28 14.586 1.239 -6.081 187 2HD LYS 28 HD1 LYS 28 13.623 -0.273 -6.071 188 1HE LYS 28 HE2 LYS 28 13.520 1.974 -8.221 189 2HE LYS 28 HE1 LYS 28 14.422 0.415 -8.372 190 1HZ LYS 28 HZ1 LYS 28 11.478 0.708 -8.099 191 2HZ LYS 28 HZ2 LYS 28 12.334 -0.753 -8.248 192 3HZ LYS 28 HZ3 LYS 28 12.338 0.368 -9.524 193 H GLU 29 HN GLU 29 8.602 1.325 -6.920 194 HA GLU 29 HA GLU 29 9.385 3.837 -8.000 195 1HB GLU 29 HB2 GLU 29 7.972 3.330 -9.924 196 2HB GLU 29 HB1 GLU 29 9.009 1.942 -9.465 197 1HG GLU 29 HG2 GLU 29 6.978 0.962 -8.255 198 2HG GLU 29 HG1 GLU 29 5.970 2.265 -8.978 199 H LYS 30 HN LYS 30 6.613 2.871 -5.999 200 HA LYS 30 HA LYS 30 5.204 5.337 -6.563 201 1HB LYS 30 HB2 LYS 30 4.833 3.223 -4.365 202 2HB LYS 30 HB1 LYS 30 3.782 4.666 -4.553 203 1HG LYS 30 HG2 LYS 30 4.145 2.456 -6.679 204 2HG LYS 30 HG1 LYS 30 2.791 2.580 -5.509 205 1HD LYS 30 HD2 LYS 30 2.188 4.833 -6.522 206 2HD LYS 30 HD1 LYS 30 3.479 4.577 -7.754 207 1HE LYS 30 HE2 LYS 30 2.323 2.474 -8.529 208 2HE LYS 30 HE1 LYS 30 1.025 2.750 -7.297 209 1HZ LYS 30 HZ1 LYS 30 0.381 3.518 -9.448 210 2HZ LYS 30 HZ2 LYS 30 1.721 4.556 -9.553 211 3HZ LYS 30 HZ3 LYS 30 0.519 4.832 -8.380 212 H GLY 31 HN GLY 31 7.750 4.213 -4.457 213 1HA GLY 31 HA2 GLY 31 9.321 5.768 -3.909 214 2HA GLY 31 HA1 GLY 31 8.052 7.032 -3.676 215 H GLY 32 HN GLY 32 8.017 3.635 -2.469 216 1HA GLY 32 HA2 GLY 32 8.269 4.663 0.286 217 2HA GLY 32 HA1 GLY 32 7.535 3.097 -0.286 218 H THR 33 HN THR 33 10.156 3.997 1.394 219 HA THR 33 HA THR 33 12.164 2.963 -0.462 220 HB THR 33 HB THR 33 13.706 4.039 1.282 221 HG1 THR 33 HG1 THR 33 12.290 4.163 2.999 222 1HG2 THR 33 HG21 THR 33 13.174 6.340 0.423 223 2HG2 THR 33 HG22 THR 33 11.552 5.785 -0.131 224 3HG2 THR 33 HG23 THR 33 13.042 5.126 -0.900 225 H SER 34 HN SER 34 10.083 1.555 1.715 226 HA SER 34 HA SER 34 11.689 -0.696 1.716 227 1HB SER 34 HB2 SER 34 11.007 0.584 4.471 228 2HB SER 34 HB1 SER 34 11.449 -1.155 4.250 229 HG SER 34 HG SER 34 13.156 0.744 3.125 230 H GLY 35 HN GLY 35 9.954 -2.476 2.631 231 1HA GLY 35 HA2 GLY 35 7.375 -1.495 2.873 232 2HA GLY 35 HA1 GLY 35 7.754 -2.252 1.242 233 H HIS 36 HN HIS 36 6.108 -3.809 2.762 234 HA HIS 36 HA HIS 36 7.598 -6.020 3.489 235 1HB HIS 36 HB2 HIS 36 6.020 -4.577 5.758 236 2HB HIS 36 HB1 HIS 36 6.682 -6.247 5.837 237 HD1 HIS 36 HD1 HIS 36 7.651 -2.688 6.336 238 HD2 HIS 36 HD2 HIS 36 9.578 -6.407 6.013 239 HE1 HIS 36 HE1 HIS 36 10.032 -2.383 7.156 240 HE2 HIS 36 HE2 HIS 36 11.155 -4.646 6.939 241 H CYS 37 HN CYS 37 5.076 -7.120 4.795 242 HA CYS 37 HA CYS 37 2.929 -6.236 3.250 243 1HB CYS 37 HB2 CYS 37 4.124 -9.070 2.763 244 2HB CYS 37 HB1 CYS 37 2.488 -8.538 2.244 245 H GLY 38 HN GLY 38 1.150 -8.157 4.129 246 1HA GLY 38 HA2 GLY 38 1.828 -9.641 6.267 247 2HA GLY 38 HA1 GLY 38 1.319 -7.958 6.828 248 H PHE 39 HN PHE 39 -0.795 -9.302 7.422 249 HA PHE 39 HA PHE 39 -2.475 -9.304 5.014 250 1HB PHE 39 HB2 PHE 39 -2.256 -11.554 6.487 251 2HB PHE 39 HB1 PHE 39 -3.272 -10.657 7.672 252 HD1 PHE 39 HD1 PHE 39 -3.099 -11.319 3.935 253 HD2 PHE 39 HD2 PHE 39 -5.600 -11.034 7.427 254 HE1 PHE 39 HE1 PHE 39 -5.059 -11.949 2.586 255 HE2 PHE 39 HE2 PHE 39 -7.557 -11.637 6.066 256 HZ PHE 39 HZ PHE 39 -7.303 -12.130 3.648 257 H LYS 40 HN LYS 40 -4.864 -8.515 5.955 258 HA LYS 40 HA LYS 40 -4.711 -6.835 8.167 259 1HB LYS 40 HB2 LYS 40 -3.745 -5.403 6.108 260 2HB LYS 40 HB1 LYS 40 -5.381 -5.586 5.411 261 1HG LYS 40 HG2 LYS 40 -6.269 -4.438 7.579 262 2HG LYS 40 HG1 LYS 40 -4.557 -4.251 8.078 263 1HD LYS 40 HD2 LYS 40 -5.291 -2.148 7.135 264 2HD LYS 40 HD1 LYS 40 -4.113 -2.896 6.010 265 1HE LYS 40 HE2 LYS 40 -6.019 -1.886 4.758 266 2HE LYS 40 HE1 LYS 40 -6.034 -3.673 4.535 267 1HZ LYS 40 HZ1 LYS 40 -8.208 -2.818 4.971 268 2HZ LYS 40 HZ2 LYS 40 -7.715 -2.118 6.436 269 3HZ LYS 40 HZ3 LYS 40 -7.719 -3.803 6.267 270 H VAL 41 HN VAL 41 -7.312 -6.171 8.153 271 HA VAL 41 HA VAL 41 -8.760 -8.060 6.533 272 HB VAL 41 HB VAL 41 -10.068 -7.630 9.139 273 1HG1 VAL 41 HG11 VAL 41 -10.718 -9.291 7.369 274 2HG1 VAL 41 HG12 VAL 41 -10.368 -10.105 8.936 275 3HG1 VAL 41 HG13 VAL 41 -9.156 -10.160 7.605 276 1HG2 VAL 41 HG21 VAL 41 -7.362 -9.133 9.256 277 2HG2 VAL 41 HG22 VAL 41 -8.627 -9.114 10.534 278 3HG2 VAL 41 HG23 VAL 41 -7.769 -7.595 10.118 279 H GLY 42 HN GLY 42 -10.977 -6.985 6.346 280 1HA GLY 42 HA2 GLY 42 -12.191 -4.988 6.421 281 2HA GLY 42 HA1 GLY 42 -10.643 -4.060 6.575 282 H HIS 43 HN HIS 43 -9.070 -5.591 4.814 283 HA HIS 43 HA HIS 43 -10.443 -5.260 2.221 284 1HB HIS 43 HB2 HIS 43 -7.565 -4.504 2.972 285 2HB HIS 43 HB1 HIS 43 -8.076 -4.857 1.285 286 HD1 HIS 43 HD1 HIS 43 -10.144 -3.339 0.386 287 HD2 HIS 43 HD2 HIS 43 -7.855 -1.755 3.533 288 HE1 HIS 43 HE1 HIS 43 -10.454 -0.819 0.368 289 HE2 HIS 43 HE2 HIS 43 -9.076 0.084 2.279 290 H GLY 44 HN GLY 44 -7.115 -6.660 3.102 291 1HA GLY 44 HA2 GLY 44 -7.650 -9.197 3.384 292 2HA GLY 44 HA1 GLY 44 -7.842 -8.893 1.579 293 H LEU 45 HN LEU 45 -5.787 -9.798 1.035 294 HA LEU 45 HA LEU 45 -3.372 -9.177 2.253 295 1HB LEU 45 HB2 LEU 45 -3.795 -11.177 0.784 296 2HB LEU 45 HB1 LEU 45 -4.083 -10.082 -0.603 297 HG LEU 45 HG LEU 45 -1.686 -9.396 -0.571 298 1HD1 LEU 45 HD11 LEU 45 -1.062 -9.735 1.825 299 2HD1 LEU 45 HD12 LEU 45 -0.006 -10.708 0.747 300 3HD1 LEU 45 HD13 LEU 45 -1.331 -11.510 1.658 301 1HD2 LEU 45 HD21 LEU 45 -0.790 -11.560 -1.438 302 2HD2 LEU 45 HD22 LEU 45 -2.462 -11.250 -2.022 303 3HD2 LEU 45 HD23 LEU 45 -2.173 -12.441 -0.700 304 H ALA 46 HN ALA 46 -1.769 -7.453 1.762 305 HA ALA 46 HA ALA 46 -2.656 -5.349 0.065 306 1HB ALA 46 HB1 ALA 46 -4.023 -4.985 2.208 307 2HB ALA 46 HB2 ALA 46 -2.723 -3.741 2.059 308 3HB ALA 46 HB3 ALA 46 -2.531 -5.165 3.173 309 H CYS 47 HN CYS 47 -0.585 -3.560 0.808 310 HA CYS 47 HA CYS 47 1.650 -5.421 1.383 311 1HB CYS 47 HB2 CYS 47 1.525 -5.172 -1.102 312 2HB CYS 47 HB1 CYS 47 1.500 -3.406 -0.927 313 H TRP 48 HN TRP 48 3.595 -3.800 2.110 314 HA TRP 48 HA TRP 48 2.336 -1.524 3.498 315 1HB TRP 48 HB2 TRP 48 2.909 -3.307 5.193 316 2HB TRP 48 HB1 TRP 48 4.557 -3.396 4.503 317 HD1 TRP 48 HD1 TRP 48 6.242 -1.246 5.089 318 HE1 TRP 48 HE1 TRP 48 6.207 0.478 7.043 319 HE3 TRP 48 HE3 TRP 48 1.551 -2.177 6.813 320 HZ2 TRP 48 HZ2 TRP 48 4.441 1.175 9.144 321 HZ3 TRP 48 HZ3 TRP 48 0.736 -0.972 8.819 322 HH2 TRP 48 HH2 TRP 48 2.160 0.686 9.963 323 H CYS 49 HN CYS 49 3.814 0.378 3.551 324 HA CYS 49 HA CYS 49 6.270 0.052 2.105 325 1HB CYS 49 HB2 CYS 49 4.014 1.929 1.246 326 2HB CYS 49 HB1 CYS 49 5.741 2.366 0.993 327 H ASN 50 HN ASN 50 7.696 1.700 2.922 328 HA ASN 50 HA ASN 50 6.601 3.084 5.281 329 1HB ASN 50 HB2 ASN 50 8.512 1.003 5.316 330 2HB ASN 50 HB1 ASN 50 9.572 2.440 5.216 331 1HD2 ASN 50 HD22 ASN 50 9.876 3.607 7.222 332 2HD2 ASN 50 HD21 ASN 50 8.972 3.288 8.665 333 H ALA 51 HN ALA 51 6.919 5.261 5.129 334 HA ALA 51 HA ALA 51 7.631 7.181 4.629 335 1HB ALA 51 HB1 ALA 51 9.976 6.465 5.051 336 2HB ALA 51 HB2 ALA 51 9.861 7.728 3.768 337 3HB ALA 51 HB3 ALA 51 10.122 6.013 3.310 338 H LEU 52 HN LEU 52 5.621 6.545 3.216 339 HA LEU 52 HA LEU 52 6.240 7.015 0.367 340 1HB LEU 52 HB2 LEU 52 3.619 6.403 1.833 341 2HB LEU 52 HB1 LEU 52 3.634 7.075 0.172 342 HG LEU 52 HG LEU 52 5.081 4.481 0.902 343 1HD1 LEU 52 HD11 LEU 52 2.209 4.907 -0.155 344 2HD1 LEU 52 HD12 LEU 52 2.703 4.125 1.400 345 3HD1 LEU 52 HD13 LEU 52 3.072 3.328 -0.177 346 1HD2 LEU 52 HD21 LEU 52 5.766 5.689 -1.263 347 2HD2 LEU 52 HD22 LEU 52 4.099 5.453 -1.867 348 3HD2 LEU 52 HD23 LEU 52 5.123 4.031 -1.495 349 HA PRO 53 HA PRO 53 5.411 11.241 1.680 350 1HB PRO 53 HB2 PRO 53 5.135 11.967 -1.243 351 2HB PRO 53 HB1 PRO 53 6.317 12.602 -0.042 352 1HG PRO 53 HG1 PRO 53 7.048 10.866 -2.090 353 2HG PRO 53 HG2 PRO 53 7.839 10.827 -0.459 354 1HD PRO 53 HD1 PRO 53 5.597 8.977 -1.485 355 2HD PRO 53 HD2 PRO 53 7.107 8.585 -0.577 356 H ASP 54 HN ASP 54 3.619 12.972 1.147 357 HA ASP 54 HA ASP 54 1.227 11.441 1.335 358 1HB ASP 54 HB2 ASP 54 1.567 14.471 1.437 359 2HB ASP 54 HB1 ASP 54 0.182 13.484 2.074 360 H ASN 55 HN ASN 55 2.542 11.778 -1.447 361 HA ASN 55 HA ASN 55 0.268 13.019 -2.821 362 1HB ASN 55 HB2 ASN 55 1.555 12.893 -4.873 363 2HB ASN 55 HB1 ASN 55 2.559 13.714 -3.630 364 1HD2 ASN 55 HD21 ASN 55 2.906 11.616 -6.151 365 2HD2 ASN 55 HD22 ASN 55 4.176 10.591 -5.550 366 H VAL 56 HN VAL 56 1.246 10.100 -1.442 367 HA VAL 56 HA VAL 56 0.171 8.462 -3.611 368 HB VAL 56 HB VAL 56 1.468 7.471 -1.016 369 1HG1 VAL 56 HG11 VAL 56 2.029 5.516 -2.496 370 2HG1 VAL 56 HG12 VAL 56 1.190 6.310 -3.877 371 3HG1 VAL 56 HG13 VAL 56 0.257 5.798 -2.418 372 1HG2 VAL 56 HG21 VAL 56 3.677 7.486 -2.265 373 2HG2 VAL 56 HG22 VAL 56 3.089 9.113 -1.915 374 3HG2 VAL 56 HG23 VAL 56 2.909 8.471 -3.569 375 H GLY 57 HN GLY 57 -1.744 7.116 -3.042 376 1HA GLY 57 HA2 GLY 57 -3.043 7.959 -0.537 377 2HA GLY 57 HA1 GLY 57 -3.892 7.572 -2.106 378 H ILE 58 HN ILE 58 -4.005 6.061 0.521 379 HA ILE 58 HA ILE 58 -2.851 3.526 -0.275 380 HB ILE 58 HB ILE 58 -1.806 3.305 1.979 381 1HG1 ILE 58 HG12 ILE 58 -2.057 6.382 2.169 382 2HG1 ILE 58 HG11 ILE 58 -3.090 5.249 3.096 383 1HG2 ILE 58 HG21 ILE 58 -0.551 5.604 0.384 384 2HG2 ILE 58 HG22 ILE 58 -0.612 3.909 -0.206 385 3HG2 ILE 58 HG23 ILE 58 0.265 4.295 1.324 386 1HD1 ILE 58 HD11 ILE 58 -1.013 4.202 4.099 387 2HD1 ILE 58 HD12 ILE 58 -1.257 5.933 4.536 388 3HD1 ILE 58 HD13 ILE 58 -0.022 5.484 3.295 389 H ILE 59 HN ILE 59 -3.434 2.772 2.636 390 HA ILE 59 HA ILE 59 -6.195 2.282 2.275 391 HB ILE 59 HB ILE 59 -4.736 2.040 4.940 392 1HG1 ILE 59 HG12 ILE 59 -3.346 0.846 3.394 393 2HG1 ILE 59 HG11 ILE 59 -4.260 -0.303 4.417 394 1HG2 ILE 59 HG21 ILE 59 -7.213 0.649 3.691 395 2HG2 ILE 59 HG22 ILE 59 -7.199 1.845 5.048 396 3HG2 ILE 59 HG23 ILE 59 -6.475 0.226 5.284 397 1HD1 ILE 59 HD11 ILE 59 -3.933 -0.852 1.882 398 2HD1 ILE 59 HD12 ILE 59 -5.206 0.384 1.588 399 3HD1 ILE 59 HD13 ILE 59 -5.588 -1.067 2.567 400 H VAL 60 HN VAL 60 -7.844 3.538 2.795 401 HA VAL 60 HA VAL 60 -7.435 5.941 4.444 402 HB VAL 60 HB VAL 60 -7.506 5.564 1.543 403 1HG1 VAL 60 HG11 VAL 60 -9.730 7.416 2.545 404 2HG1 VAL 60 HG12 VAL 60 -9.948 5.858 1.668 405 3HG1 VAL 60 HG13 VAL 60 -9.128 7.225 0.840 406 1HG2 VAL 60 HG21 VAL 60 -6.729 7.892 1.557 407 2HG2 VAL 60 HG22 VAL 60 -5.896 6.926 2.838 408 3HG2 VAL 60 HG23 VAL 60 -7.212 8.076 3.288 409 H GLU 61 HN GLU 61 -8.398 3.267 4.612 410 HA GLU 61 HA GLU 61 -11.167 3.014 4.436 411 1HB GLU 61 HB2 GLU 61 -9.593 1.115 4.414 412 2HB GLU 61 HB1 GLU 61 -9.351 1.322 6.198 413 1HG GLU 61 HG2 GLU 61 -11.804 0.802 6.543 414 2HG GLU 61 HG1 GLU 61 -12.030 0.723 4.754 415 H GLY 62 HN GLY 62 -12.808 3.459 5.652 416 1HA GLY 62 HA2 GLY 62 -13.417 4.510 7.937 417 2HA GLY 62 HA1 GLY 62 -12.135 5.681 7.331 418 H GLU 63 HN GLU 63 -12.207 5.472 4.693 419 HA GLU 63 HA GLU 63 -14.983 5.697 3.773 420 1HB GLU 63 HB2 GLU 63 -13.129 7.421 3.090 421 2HB GLU 63 HB1 GLU 63 -12.395 6.107 2.136 422 1HG GLU 63 HG2 GLU 63 -13.755 7.651 0.741 423 2HG GLU 63 HG1 GLU 63 -14.493 6.018 0.706 424 H LYS 64 HN LYS 64 -13.849 4.456 1.087 425 HA LYS 64 HA LYS 64 -13.133 1.853 1.786 426 1HB LYS 64 HB2 LYS 64 -15.695 1.808 2.107 427 2HB LYS 64 HB1 LYS 64 -15.873 2.285 0.395 428 1HG LYS 64 HG2 LYS 64 -16.261 -0.149 0.922 429 2HG LYS 64 HG1 LYS 64 -15.024 0.082 -0.339 430 1HD LYS 64 HD2 LYS 64 -13.205 -0.351 1.324 431 2HD LYS 64 HD1 LYS 64 -14.425 -0.432 2.647 432 1HE LYS 64 HE2 LYS 64 -15.459 -2.459 1.585 433 2HE LYS 64 HE1 LYS 64 -14.246 -2.379 0.242 434 1HZ LYS 64 HZ1 LYS 64 -13.657 -3.948 1.973 435 2HZ LYS 64 HZ2 LYS 64 -13.611 -2.711 3.129 436 3HZ LYS 64 HZ3 LYS 64 -12.506 -2.708 1.844 437 H CYS 65 HN CYS 65 -13.613 0.971 -0.876 438 HA CYS 65 HA CYS 65 -11.398 2.022 -2.047 439 1HB CYS 65 HB2 CYS 65 -12.167 -0.279 -2.380 440 2HB CYS 65 HB1 CYS 65 -13.662 0.305 -3.169 441 H HIS 66 HN HIS 66 -10.899 3.626 -3.364 442 HA HIS 66 HA HIS 66 -10.940 5.326 -4.571 443 1HB HIS 66 HB2 HIS 66 -13.436 4.318 -5.921 444 2HB HIS 66 HB1 HIS 66 -12.403 5.697 -6.482 445 HD1 HIS 66 HD1 HIS 66 -9.725 5.019 -6.565 446 HD2 HIS 66 HD2 HIS 66 -12.533 1.979 -7.264 447 HE1 HIS 66 HE1 HIS 66 -8.495 3.132 -7.670 448 HE2 HIS 66 HE2 HIS 66 -10.245 1.339 -8.177 449 H SER 67 HN SER 67 -13.433 6.844 -5.515 450 HA SER 67 HA SER 67 -13.155 8.676 -3.455 451 1HB SER 67 HB2 SER 67 -15.242 8.726 -5.727 452 2HB SER 67 HB1 SER 67 -14.541 10.138 -4.851 453 HG SER 67 HG SER 67 -13.564 9.812 -6.859 454 1HN NH2 68 H1 NH2 68 -15.816 7.003 -1.489 455 2HN NH2 68 H2 NH2 68 -14.139 6.757 -1.936 Start of MODEL 6 1 1H VAL 1 HT1 VAL 1 6.838 12.653 5.992 2 2H VAL 1 HT2 VAL 1 5.538 13.346 5.145 3 3H VAL 1 HT3 VAL 1 7.055 13.193 4.391 4 HA VAL 1 HA VAL 1 5.516 11.595 3.597 5 HB VAL 1 HB VAL 1 6.861 9.502 4.033 6 1HG1 VAL 1 HG11 VAL 1 8.542 12.046 3.533 7 2HG1 VAL 1 HG12 VAL 1 7.565 11.150 2.312 8 3HG1 VAL 1 HG13 VAL 1 8.981 10.358 3.080 9 1HG2 VAL 1 HG21 VAL 1 8.837 9.591 5.545 10 2HG2 VAL 1 HG22 VAL 1 7.330 9.860 6.484 11 3HG2 VAL 1 HG23 VAL 1 8.401 11.251 6.078 12 H ARG 2 HN ARG 2 4.650 9.295 4.102 13 HA ARG 2 HA ARG 2 3.300 9.238 6.729 14 1HB ARG 2 HB2 ARG 2 2.307 8.068 4.045 15 2HB ARG 2 HB1 ARG 2 1.396 8.105 5.590 16 1HG ARG 2 HG2 ARG 2 0.528 10.159 5.059 17 2HG ARG 2 HG1 ARG 2 2.157 10.839 4.851 18 1HD ARG 2 HD2 ARG 2 1.347 11.199 2.705 19 2HD ARG 2 HD1 ARG 2 2.120 9.597 2.466 20 HE ARG 2 HE ARG 2 -0.028 8.590 2.273 21 1HH1 ARG 2 HH21 ARG 2 -0.363 12.051 3.160 22 2HH1 ARG 2 HH22 ARG 2 -2.067 12.081 2.885 23 1HH2 ARG 2 HH11 ARG 2 -2.319 8.648 2.003 24 2HH2 ARG 2 HH12 ARG 2 -3.201 10.120 2.233 25 H ASP 3 HN ASP 3 2.652 6.675 7.112 26 HA ASP 3 HA ASP 3 4.345 4.906 5.630 27 1HB ASP 3 HB2 ASP 3 3.942 4.556 8.695 28 2HB ASP 3 HB1 ASP 3 4.933 3.548 7.590 29 H GLY 4 HN GLY 4 2.741 3.001 5.306 30 1HA GLY 4 HA2 GLY 4 0.473 3.000 6.925 31 2HA GLY 4 HA1 GLY 4 0.155 3.685 5.256 32 H TYR 5 HN TYR 5 -1.082 1.367 5.539 33 HA TYR 5 HA TYR 5 0.559 -0.638 4.197 34 1HB TYR 5 HB2 TYR 5 -2.419 -0.306 4.899 35 2HB TYR 5 HB1 TYR 5 -1.931 -1.451 3.605 36 HD1 TYR 5 HD1 TYR 5 -0.920 -3.510 4.125 37 HD2 TYR 5 HD2 TYR 5 -1.710 -0.686 7.263 38 HE1 TYR 5 HE1 TYR 5 -0.816 -5.318 5.777 39 HE2 TYR 5 HE2 TYR 5 -1.532 -2.492 8.941 40 HH TYR 5 HH TYR 5 -1.781 -5.790 8.005 41 H ILE 6 HN ILE 6 0.546 -0.593 1.810 42 HA ILE 6 HA ILE 6 -0.380 2.019 0.872 43 HB ILE 6 HB ILE 6 1.955 1.675 0.451 44 1HG1 ILE 6 HG12 ILE 6 0.165 1.843 -2.054 45 2HG1 ILE 6 HG11 ILE 6 0.628 3.189 -0.963 46 1HG2 ILE 6 HG21 ILE 6 1.050 -0.624 -1.384 47 2HG2 ILE 6 HG22 ILE 6 1.969 -0.779 0.173 48 3HG2 ILE 6 HG23 ILE 6 2.721 0.020 -1.238 49 1HD1 ILE 6 HD11 ILE 6 3.099 2.693 -1.602 50 2HD1 ILE 6 HD12 ILE 6 2.052 3.321 -2.930 51 3HD1 ILE 6 HD13 ILE 6 2.449 1.574 -2.856 52 H ALA 7 HN ALA 7 -1.857 2.214 -0.426 53 HA ALA 7 HA ALA 7 -3.537 -0.001 -1.221 54 1HB ALA 7 HB1 ALA 7 -4.137 3.031 -1.184 55 2HB ALA 7 HB2 ALA 7 -4.641 1.862 0.091 56 3HB ALA 7 HB3 ALA 7 -5.331 1.728 -1.523 57 H GLN 8 HN GLN 8 -4.846 2.039 -3.135 58 HA GLN 8 HA GLN 8 -2.881 2.527 -5.100 59 1HB GLN 8 HB2 GLN 8 -5.565 1.023 -5.566 60 2HB GLN 8 HB1 GLN 8 -4.583 1.746 -6.889 61 1HG GLN 8 HG2 GLN 8 -2.759 0.149 -6.524 62 2HG GLN 8 HG1 GLN 8 -3.510 -0.465 -5.013 63 1HE2 GLN 8 HE22 GLN 8 -5.535 -1.705 -5.143 64 2HE2 GLN 8 HE21 GLN 8 -6.138 -2.319 -6.661 65 HA PRO 9 HA PRO 9 -5.356 5.818 -3.798 66 1HB PRO 9 HB2 PRO 9 -5.348 7.681 -5.929 67 2HB PRO 9 HB1 PRO 9 -3.909 7.304 -4.908 68 1HG PRO 9 HG1 PRO 9 -4.626 6.120 -7.638 69 2HG PRO 9 HG2 PRO 9 -3.028 6.774 -7.080 70 1HD PRO 9 HD1 PRO 9 -3.598 4.062 -7.047 71 2HD PRO 9 HD2 PRO 9 -2.634 4.830 -5.698 72 H GLU 10 HN GLU 10 -8.783 5.991 -4.857 73 HA GLU 10 HA GLU 10 -6.708 7.637 -3.599 74 1HB GLU 10 HB2 GLU 10 -9.709 7.901 -3.872 75 2HB GLU 10 HB1 GLU 10 -8.682 8.967 -2.838 76 1HG GLU 10 HG2 GLU 10 -7.347 9.648 -4.852 77 2HG GLU 10 HG1 GLU 10 -8.358 8.582 -5.893 78 H ASN 11 HN ASN 11 -8.627 4.701 -3.132 79 HA ASN 11 HA ASN 11 -7.605 4.458 -0.574 80 1HB ASN 11 HB2 ASN 11 -9.870 5.721 -0.119 81 2HB ASN 11 HB1 ASN 11 -10.698 4.414 -1.044 82 1HD2 ASN 11 HD21 ASN 11 -11.796 4.415 1.222 83 2HD2 ASN 11 HD22 ASN 11 -10.974 3.651 2.561 84 H CYS 12 HN CYS 12 -7.493 2.175 -0.573 85 HA CYS 12 HA CYS 12 -9.082 0.374 -1.754 86 1HB CYS 12 HB2 CYS 12 -7.504 1.545 -3.897 87 2HB CYS 12 HB1 CYS 12 -6.734 0.065 -3.569 88 H VAL 13 HN VAL 13 -6.870 -1.558 -2.401 89 HA VAL 13 HA VAL 13 -4.980 -1.202 -0.306 90 HB VAL 13 HB VAL 13 -4.863 -3.824 -0.251 91 1HG1 VAL 13 HG11 VAL 13 -5.232 -2.547 1.766 92 2HG1 VAL 13 HG12 VAL 13 -6.414 -3.883 1.741 93 3HG1 VAL 13 HG13 VAL 13 -6.939 -2.194 1.333 94 1HG2 VAL 13 HG21 VAL 13 -7.865 -3.500 -0.923 95 2HG2 VAL 13 HG22 VAL 13 -7.000 -5.012 -0.457 96 3HG2 VAL 13 HG23 VAL 13 -6.604 -4.218 -2.015 97 H TYR 14 HN TYR 14 -3.007 -2.462 -1.233 98 HA TYR 14 HA TYR 14 -3.251 -2.738 -4.116 99 1HB TYR 14 HB2 TYR 14 -1.020 -1.868 -2.487 100 2HB TYR 14 HB1 TYR 14 -0.556 -3.438 -3.097 101 HD1 TYR 14 HD1 TYR 14 0.331 -0.430 -3.836 102 HD2 TYR 14 HD2 TYR 14 -1.908 -3.531 -5.830 103 HE1 TYR 14 HE1 TYR 14 0.930 0.525 -6.017 104 HE2 TYR 14 HE2 TYR 14 -1.343 -2.561 -7.989 105 HH TYR 14 HH TYR 14 -0.494 -0.707 -9.055 106 H HIS 15 HN HIS 15 -1.211 -5.041 -4.002 107 HA HIS 15 HA HIS 15 -2.457 -6.876 -2.227 108 1HB HIS 15 HB2 HIS 15 -2.391 -7.382 -5.280 109 2HB HIS 15 HB1 HIS 15 -2.348 -8.713 -4.074 110 HD1 HIS 15 HD1 HIS 15 -4.725 -5.874 -5.045 111 HD2 HIS 15 HD2 HIS 15 -4.711 -9.549 -3.019 112 HE1 HIS 15 HE1 HIS 15 -7.127 -6.423 -4.464 113 HE2 HIS 15 HE2 HIS 15 -7.072 -8.636 -3.228 114 H CYS 16 HN CYS 16 -0.710 -8.976 -2.933 115 HA CYS 16 HA CYS 16 1.888 -7.925 -3.239 116 1HB CYS 16 HB2 CYS 16 1.699 -7.588 -0.764 117 2HB CYS 16 HB1 CYS 16 0.679 -9.033 -0.610 118 H PHE 17 HN PHE 17 3.122 -10.173 -3.446 119 HA PHE 17 HA PHE 17 1.277 -12.326 -4.064 120 1HB PHE 17 HB2 PHE 17 4.096 -11.850 -5.269 121 2HB PHE 17 HB1 PHE 17 2.854 -13.038 -5.787 122 HD1 PHE 17 HD1 PHE 17 4.476 -10.312 -6.941 123 HD2 PHE 17 HD2 PHE 17 0.411 -11.452 -6.112 124 HE1 PHE 17 HE1 PHE 17 3.666 -8.646 -8.583 125 HE2 PHE 17 HE2 PHE 17 -0.392 -9.793 -7.751 126 HZ PHE 17 HZ PHE 17 1.234 -8.381 -8.987 127 HA PRO 18 HA PRO 18 3.706 -13.032 -0.317 128 1HB PRO 18 HB2 PRO 18 2.840 -15.918 -0.994 129 2HB PRO 18 HB1 PRO 18 3.027 -15.204 0.660 130 1HG PRO 18 HG1 PRO 18 0.557 -15.284 -0.546 131 2HG PRO 18 HG2 PRO 18 1.079 -13.789 0.337 132 1HD PRO 18 HD1 PRO 18 0.863 -14.208 -2.644 133 2HD PRO 18 HD2 PRO 18 0.799 -12.688 -1.674 134 H GLY 19 HN GLY 19 5.896 -12.817 -0.458 135 1HA GLY 19 HA2 GLY 19 7.916 -14.321 -1.065 136 2HA GLY 19 HA1 GLY 19 7.186 -14.012 -2.714 137 H SER 20 HN SER 20 5.866 -11.658 -2.184 138 HA SER 20 HA SER 20 5.779 -9.666 -1.419 139 1HB SER 20 HB2 SER 20 8.440 -10.005 0.053 140 2HB SER 20 HB1 SER 20 7.207 -8.719 0.334 141 HG SER 20 HG SER 20 7.141 -10.606 1.748 142 H SER 21 HN SER 21 8.112 -10.722 -3.522 143 HA SER 21 HA SER 21 9.761 -8.661 -3.898 144 1HB SER 21 HB2 SER 21 8.700 -10.403 -6.194 145 2HB SER 21 HB1 SER 21 10.391 -9.850 -5.908 146 HG SER 21 HG SER 21 10.527 -11.309 -4.241 147 H GLY 22 HN GLY 22 6.574 -9.183 -5.386 148 1HA GLY 22 HA2 GLY 22 6.781 -6.999 -7.188 149 2HA GLY 22 HA1 GLY 22 5.299 -7.902 -6.690 150 H CYS 23 HN CYS 23 5.783 -7.378 -3.821 151 HA CYS 23 HA CYS 23 4.305 -4.926 -3.695 152 1HB CYS 23 HB2 CYS 23 3.625 -6.569 -2.106 153 2HB CYS 23 HB1 CYS 23 5.309 -6.912 -1.621 154 H ASP 24 HN ASP 24 7.598 -6.068 -2.604 155 HA ASP 24 HA ASP 24 8.326 -3.519 -1.749 156 1HB ASP 24 HB2 ASP 24 9.568 -5.660 -1.156 157 2HB ASP 24 HB1 ASP 24 10.305 -5.622 -2.798 158 H THR 25 HN THR 25 8.624 -5.035 -5.008 159 HA THR 25 HA THR 25 9.979 -2.936 -6.225 160 HB THR 25 HB THR 25 7.766 -4.621 -7.480 161 HG1 THR 25 HG1 THR 25 9.316 -5.982 -6.586 162 1HG2 THR 25 HG21 THR 25 10.234 -3.167 -8.686 163 2HG2 THR 25 HG22 THR 25 8.516 -2.677 -8.913 164 3HG2 THR 25 HG23 THR 25 9.095 -4.229 -9.597 165 H LEU 26 HN LEU 26 6.347 -3.394 -5.877 166 HA LEU 26 HA LEU 26 5.713 -1.025 -7.217 167 1HB LEU 26 HB2 LEU 26 4.180 -2.636 -5.109 168 2HB LEU 26 HB1 LEU 26 3.482 -1.197 -5.913 169 HG LEU 26 HG LEU 26 4.548 -3.561 -7.543 170 1HD1 LEU 26 HD11 LEU 26 2.862 -4.514 -6.052 171 2HD1 LEU 26 HD12 LEU 26 2.180 -4.369 -7.711 172 3HD1 LEU 26 HD13 LEU 26 1.700 -3.191 -6.431 173 1HD2 LEU 26 HD21 LEU 26 4.267 -1.459 -8.807 174 2HD2 LEU 26 HD22 LEU 26 2.593 -1.263 -8.182 175 3HD2 LEU 26 HD23 LEU 26 2.995 -2.633 -9.290 176 H CYS 27 HN CYS 27 6.158 -1.780 -3.754 177 HA CYS 27 HA CYS 27 5.618 0.699 -2.707 178 1HB CYS 27 HB2 CYS 27 6.141 -1.452 -1.419 179 2HB CYS 27 HB1 CYS 27 7.872 -1.206 -1.800 180 H LYS 28 HN LYS 28 8.720 -0.532 -4.104 181 HA LYS 28 HA LYS 28 10.204 1.708 -3.393 182 1HB LYS 28 HB2 LYS 28 11.056 -0.578 -4.046 183 2HB LYS 28 HB1 LYS 28 10.757 -0.173 -5.765 184 1HG LYS 28 HG2 LYS 28 12.398 1.688 -5.637 185 2HG LYS 28 HG1 LYS 28 12.564 1.473 -3.867 186 1HD LYS 28 HD2 LYS 28 13.466 -0.506 -6.063 187 2HD LYS 28 HD1 LYS 28 14.510 0.537 -5.046 188 1HE LYS 28 HE2 LYS 28 12.846 -1.897 -4.108 189 2HE LYS 28 HE1 LYS 28 14.644 -1.732 -4.167 190 1HZ LYS 28 HZ1 LYS 28 13.782 -1.453 -1.958 191 2HZ LYS 28 HZ2 LYS 28 12.788 -0.168 -2.449 192 3HZ LYS 28 HZ3 LYS 28 14.475 0.002 -2.499 193 H GLU 29 HN GLU 29 8.559 0.860 -6.510 194 HA GLU 29 HA GLU 29 9.464 3.250 -7.744 195 1HB GLU 29 HB2 GLU 29 8.038 2.718 -9.636 196 2HB GLU 29 HB1 GLU 29 8.942 1.271 -9.078 197 1HG GLU 29 HG2 GLU 29 6.857 0.549 -7.815 198 2HG GLU 29 HG1 GLU 29 5.951 1.902 -8.581 199 H LYS 30 HN LYS 30 6.713 2.634 -5.614 200 HA LYS 30 HA LYS 30 5.448 5.132 -6.400 201 1HB LYS 30 HB2 LYS 30 4.853 3.173 -4.111 202 2HB LYS 30 HB1 LYS 30 3.914 4.673 -4.430 203 1HG LYS 30 HG2 LYS 30 4.172 2.285 -6.360 204 2HG LYS 30 HG1 LYS 30 2.776 2.643 -5.286 205 1HD LYS 30 HD2 LYS 30 2.472 4.847 -6.521 206 2HD LYS 30 HD1 LYS 30 3.766 4.343 -7.666 207 1HE LYS 30 HE2 LYS 30 1.103 2.838 -7.169 208 2HE LYS 30 HE1 LYS 30 1.487 3.885 -8.596 209 1HZ LYS 30 HZ1 LYS 30 1.757 1.540 -9.034 210 2HZ LYS 30 HZ2 LYS 30 2.944 1.409 -7.826 211 3HZ LYS 30 HZ3 LYS 30 3.229 2.374 -9.196 212 H GLY 31 HN GLY 31 8.145 4.237 -4.523 213 1HA GLY 31 HA2 GLY 31 9.551 5.794 -3.825 214 2HA GLY 31 HA1 GLY 31 8.219 7.000 -3.658 215 H GLY 32 HN GLY 32 7.949 3.719 -2.267 216 1HA GLY 32 HA2 GLY 32 8.378 4.840 0.419 217 2HA GLY 32 HA1 GLY 32 7.651 3.247 -0.068 218 H THR 33 HN THR 33 10.115 3.817 1.751 219 HA THR 33 HA THR 33 12.331 3.583 -0.006 220 HB THR 33 HB THR 33 13.597 3.400 2.237 221 HG1 THR 33 HG1 THR 33 12.082 2.739 3.633 222 1HG2 THR 33 HG21 THR 33 11.663 5.756 1.638 223 2HG2 THR 33 HG22 THR 33 13.313 5.522 0.964 224 3HG2 THR 33 HG23 THR 33 13.099 5.832 2.723 225 H SER 34 HN SER 34 10.460 1.233 1.998 226 HA SER 34 HA SER 34 11.123 -0.735 0.277 227 1HB SER 34 HB2 SER 34 12.373 -1.036 3.105 228 2HB SER 34 HB1 SER 34 12.029 -2.429 2.010 229 HG SER 34 HG SER 34 13.474 -0.249 1.001 230 H GLY 35 HN GLY 35 9.844 -2.810 1.768 231 1HA GLY 35 HA2 GLY 35 7.885 -1.842 3.426 232 2HA GLY 35 HA1 GLY 35 7.360 -1.965 1.665 233 H HIS 36 HN HIS 36 6.136 -4.021 2.851 234 HA HIS 36 HA HIS 36 7.514 -6.327 2.208 235 1HB HIS 36 HB2 HIS 36 7.306 -7.367 4.571 236 2HB HIS 36 HB1 HIS 36 8.651 -6.198 4.407 237 HD1 HIS 36 HD1 HIS 36 5.116 -6.320 5.878 238 HD2 HIS 36 HD2 HIS 36 8.638 -4.040 6.098 239 HE1 HIS 36 HE1 HIS 36 4.837 -4.675 7.787 240 HE2 HIS 36 HE2 HIS 36 6.980 -3.321 7.885 241 H CYS 37 HN CYS 37 5.555 -7.996 3.326 242 HA CYS 37 HA CYS 37 3.147 -6.553 2.408 243 1HB CYS 37 HB2 CYS 37 3.686 -9.572 2.595 244 2HB CYS 37 HB1 CYS 37 2.197 -8.791 1.954 245 H GLY 38 HN GLY 38 1.053 -7.289 3.594 246 1HA GLY 38 HA2 GLY 38 1.347 -8.651 5.975 247 2HA GLY 38 HA1 GLY 38 1.089 -6.841 6.191 248 H PHE 39 HN PHE 39 -1.139 -8.428 6.790 249 HA PHE 39 HA PHE 39 -2.768 -8.353 4.355 250 1HB PHE 39 HB2 PHE 39 -2.535 -10.509 5.947 251 2HB PHE 39 HB1 PHE 39 -3.572 -9.583 7.079 252 HD1 PHE 39 HD1 PHE 39 -5.921 -9.056 6.383 253 HD2 PHE 39 HD2 PHE 39 -3.348 -11.416 3.887 254 HE1 PHE 39 HE1 PHE 39 -7.892 -9.937 5.195 255 HE2 PHE 39 HE2 PHE 39 -5.316 -12.300 2.688 256 HZ PHE 39 HZ PHE 39 -7.606 -11.600 3.370 257 H LYS 40 HN LYS 40 -4.692 -6.915 4.524 258 HA LYS 40 HA LYS 40 -4.679 -5.257 6.955 259 1HB LYS 40 HB2 LYS 40 -3.955 -4.011 4.858 260 2HB LYS 40 HB1 LYS 40 -5.570 -4.344 4.155 261 1HG LYS 40 HG2 LYS 40 -5.230 -3.017 6.911 262 2HG LYS 40 HG1 LYS 40 -5.038 -2.055 5.415 263 1HD LYS 40 HD2 LYS 40 -7.307 -2.445 4.698 264 2HD LYS 40 HD1 LYS 40 -7.608 -3.657 5.974 265 1HE LYS 40 HE2 LYS 40 -6.954 -0.710 6.614 266 2HE LYS 40 HE1 LYS 40 -8.622 -1.383 6.426 267 1HZ LYS 40 HZ1 LYS 40 -7.957 -1.332 8.698 268 2HZ LYS 40 HZ2 LYS 40 -6.598 -2.305 8.387 269 3HZ LYS 40 HZ3 LYS 40 -8.161 -2.936 8.178 270 H VAL 41 HN VAL 41 -6.155 -6.488 8.073 271 HA VAL 41 HA VAL 41 -8.199 -7.900 6.798 272 HB VAL 41 HB VAL 41 -8.342 -7.155 9.748 273 1HG1 VAL 41 HG11 VAL 41 -9.183 -9.515 9.886 274 2HG1 VAL 41 HG12 VAL 41 -8.914 -9.739 8.121 275 3HG1 VAL 41 HG13 VAL 41 -10.155 -8.566 8.710 276 1HG2 VAL 41 HG21 VAL 41 -5.940 -7.661 9.481 277 2HG2 VAL 41 HG22 VAL 41 -6.316 -9.130 8.494 278 3HG2 VAL 41 HG23 VAL 41 -6.763 -9.056 10.229 279 H GLY 42 HN GLY 42 -10.264 -7.219 6.237 280 1HA GLY 42 HA2 GLY 42 -12.071 -5.645 6.827 281 2HA GLY 42 HA1 GLY 42 -10.782 -4.368 6.705 282 H HIS 43 HN HIS 43 -9.172 -5.597 4.689 283 HA HIS 43 HA HIS 43 -11.041 -5.489 2.389 284 1HB HIS 43 HB2 HIS 43 -8.256 -4.269 2.731 285 2HB HIS 43 HB1 HIS 43 -8.983 -4.613 1.114 286 HD1 HIS 43 HD1 HIS 43 -8.706 -2.020 0.788 287 HD2 HIS 43 HD2 HIS 43 -11.683 -3.153 3.522 288 HE1 HIS 43 HE1 HIS 43 -10.245 -0.042 1.074 289 HE2 HIS 43 HE2 HIS 43 -12.044 -0.774 2.715 290 H GLY 44 HN GLY 44 -7.532 -6.486 3.169 291 1HA GLY 44 HA2 GLY 44 -7.864 -9.078 2.646 292 2HA GLY 44 HA1 GLY 44 -7.768 -8.291 1.012 293 H LEU 45 HN LEU 45 -5.722 -9.446 0.777 294 HA LEU 45 HA LEU 45 -3.456 -8.805 2.349 295 1HB LEU 45 HB2 LEU 45 -3.690 -10.919 0.957 296 2HB LEU 45 HB1 LEU 45 -3.794 -9.896 -0.510 297 HG LEU 45 HG LEU 45 -1.436 -9.102 -0.073 298 1HD1 LEU 45 HD11 LEU 45 -1.206 -9.671 2.386 299 2HD1 LEU 45 HD12 LEU 45 0.076 -10.428 1.374 300 3HD1 LEU 45 HD13 LEU 45 -1.302 -11.426 1.960 301 1HD2 LEU 45 HD21 LEU 45 -1.805 -12.148 -0.437 302 2HD2 LEU 45 HD22 LEU 45 -0.376 -11.166 -0.932 303 3HD2 LEU 45 HD23 LEU 45 -1.971 -10.898 -1.726 304 H ALA 46 HN ALA 46 -1.822 -7.090 1.838 305 HA ALA 46 HA ALA 46 -2.696 -5.166 -0.154 306 1HB ALA 46 HB1 ALA 46 -2.335 -4.618 2.874 307 2HB ALA 46 HB2 ALA 46 -3.893 -4.533 1.993 308 3HB ALA 46 HB3 ALA 46 -2.598 -3.338 1.616 309 H CYS 47 HN CYS 47 -0.638 -3.196 0.512 310 HA CYS 47 HA CYS 47 1.722 -4.978 0.780 311 1HB CYS 47 HB2 CYS 47 1.492 -4.422 -1.616 312 2HB CYS 47 HB1 CYS 47 1.207 -2.714 -1.217 313 H TRP 48 HN TRP 48 3.515 -3.574 1.926 314 HA TRP 48 HA TRP 48 2.260 -1.352 3.393 315 1HB TRP 48 HB2 TRP 48 2.465 -3.159 5.051 316 2HB TRP 48 HB1 TRP 48 4.106 -3.564 4.463 317 HD1 TRP 48 HD1 TRP 48 6.146 -1.830 5.141 318 HE1 TRP 48 HE1 TRP 48 6.369 -0.008 6.914 319 HE3 TRP 48 HE3 TRP 48 1.295 -1.756 6.686 320 HZ2 TRP 48 HZ2 TRP 48 4.637 1.299 8.810 321 HZ3 TRP 48 HZ3 TRP 48 0.631 -0.223 8.519 322 HH2 TRP 48 HH2 TRP 48 2.283 1.294 9.551 323 H CYS 49 HN CYS 49 3.860 0.410 3.870 324 HA CYS 49 HA CYS 49 6.395 0.177 2.543 325 1HB CYS 49 HB2 CYS 49 4.234 2.290 1.880 326 2HB CYS 49 HB1 CYS 49 5.980 2.610 1.615 327 H ASN 50 HN ASN 50 7.821 1.849 3.395 328 HA ASN 50 HA ASN 50 6.600 3.507 5.501 329 1HB ASN 50 HB2 ASN 50 9.371 2.159 5.431 330 2HB ASN 50 HB1 ASN 50 9.153 3.735 6.263 331 1HD2 ASN 50 HD22 ASN 50 8.155 3.807 8.323 332 2HD2 ASN 50 HD21 ASN 50 7.647 2.379 9.158 333 H ALA 51 HN ALA 51 7.050 5.649 5.231 334 HA ALA 51 HA ALA 51 7.865 7.489 4.602 335 1HB ALA 51 HB1 ALA 51 10.168 6.601 4.900 336 2HB ALA 51 HB2 ALA 51 10.079 7.791 3.544 337 3HB ALA 51 HB3 ALA 51 10.150 6.022 3.199 338 H LEU 52 HN LEU 52 5.720 7.043 3.326 339 HA LEU 52 HA LEU 52 6.275 7.190 0.429 340 1HB LEU 52 HB2 LEU 52 3.661 6.866 1.990 341 2HB LEU 52 HB1 LEU 52 3.697 7.297 0.249 342 HG LEU 52 HG LEU 52 5.033 4.783 1.378 343 1HD1 LEU 52 HD11 LEU 52 3.048 3.547 0.452 344 2HD1 LEU 52 HD12 LEU 52 2.230 5.118 0.116 345 3HD1 LEU 52 HD13 LEU 52 2.612 4.634 1.818 346 1HD2 LEU 52 HD21 LEU 52 4.281 5.567 -1.528 347 2HD2 LEU 52 HD22 LEU 52 5.023 4.018 -1.004 348 3HD2 LEU 52 HD23 LEU 52 5.931 5.547 -0.838 349 HA PRO 53 HA PRO 53 5.706 11.549 1.283 350 1HB PRO 53 HB2 PRO 53 5.379 11.788 -1.747 351 2HB PRO 53 HB1 PRO 53 6.470 12.738 -0.670 352 1HG PRO 53 HG1 PRO 53 7.436 10.746 -2.294 353 2HG PRO 53 HG2 PRO 53 8.062 10.909 -0.596 354 1HD PRO 53 HD1 PRO 53 5.918 8.958 -1.626 355 2HD PRO 53 HD2 PRO 53 7.328 8.656 -0.528 356 H ASP 54 HN ASP 54 4.114 13.356 0.646 357 HA ASP 54 HA ASP 54 1.497 12.300 0.887 358 1HB ASP 54 HB2 ASP 54 2.478 15.174 0.473 359 2HB ASP 54 HB1 ASP 54 0.825 14.703 1.052 360 H ASN 55 HN ASN 55 3.031 12.155 -1.957 361 HA ASN 55 HA ASN 55 0.761 13.268 -3.468 362 1HB ASN 55 HB2 ASN 55 1.966 12.961 -5.496 363 2HB ASN 55 HB1 ASN 55 3.067 13.812 -4.364 364 1HD2 ASN 55 HD22 ASN 55 3.047 11.382 -6.685 365 2HD2 ASN 55 HD21 ASN 55 4.348 10.393 -6.083 366 H VAL 56 HN VAL 56 1.597 10.559 -1.724 367 HA VAL 56 HA VAL 56 0.450 8.676 -3.657 368 HB VAL 56 HB VAL 56 1.821 7.889 -1.040 369 1HG1 VAL 56 HG11 VAL 56 0.623 6.095 -2.310 370 2HG1 VAL 56 HG12 VAL 56 2.385 5.853 -2.464 371 3HG1 VAL 56 HG13 VAL 56 1.469 6.570 -3.831 372 1HG2 VAL 56 HG21 VAL 56 3.230 8.691 -3.673 373 2HG2 VAL 56 HG22 VAL 56 3.994 7.745 -2.339 374 3HG2 VAL 56 HG23 VAL 56 3.466 9.417 -2.056 375 H GLY 57 HN GLY 57 -1.030 6.942 -2.174 376 1HA GLY 57 HA2 GLY 57 -2.367 8.315 -0.087 377 2HA GLY 57 HA1 GLY 57 -3.311 7.912 -1.615 378 H ILE 58 HN ILE 58 -3.887 6.375 0.801 379 HA ILE 58 HA ILE 58 -2.504 3.895 0.389 380 HB ILE 58 HB ILE 58 -1.962 3.818 2.877 381 1HG1 ILE 58 HG12 ILE 58 -2.286 6.878 2.800 382 2HG1 ILE 58 HG11 ILE 58 -3.494 5.759 3.515 383 1HG2 ILE 58 HG21 ILE 58 -0.399 6.016 1.374 384 2HG2 ILE 58 HG22 ILE 58 -0.235 4.256 1.041 385 3HG2 ILE 58 HG23 ILE 58 0.209 4.907 2.652 386 1HD1 ILE 58 HD11 ILE 58 -1.995 6.615 5.276 387 2HD1 ILE 58 HD12 ILE 58 -0.551 5.985 4.398 388 3HD1 ILE 58 HD13 ILE 58 -1.777 4.836 5.053 389 H ILE 59 HN ILE 59 -3.586 2.794 2.871 390 HA ILE 59 HA ILE 59 -6.258 2.562 1.949 391 HB ILE 59 HB ILE 59 -5.633 1.760 4.804 392 1HG1 ILE 59 HG12 ILE 59 -3.585 1.049 3.844 393 2HG1 ILE 59 HG11 ILE 59 -4.655 -0.331 4.222 394 1HG2 ILE 59 HG21 ILE 59 -7.894 1.430 3.808 395 2HG2 ILE 59 HG22 ILE 59 -7.099 -0.142 4.168 396 3HG2 ILE 59 HG23 ILE 59 -7.193 0.458 2.468 397 1HD1 ILE 59 HD11 ILE 59 -3.804 0.700 1.480 398 2HD1 ILE 59 HD12 ILE 59 -5.274 -0.332 1.677 399 3HD1 ILE 59 HD13 ILE 59 -3.647 -0.940 2.159 400 H VAL 60 HN VAL 60 -8.021 3.785 2.556 401 HA VAL 60 HA VAL 60 -7.556 5.767 4.695 402 HB VAL 60 HB VAL 60 -9.522 5.830 2.364 403 1HG1 VAL 60 HG11 VAL 60 -10.343 7.039 4.353 404 2HG1 VAL 60 HG12 VAL 60 -9.845 8.178 3.045 405 3HG1 VAL 60 HG13 VAL 60 -8.757 7.926 4.470 406 1HG2 VAL 60 HG21 VAL 60 -6.815 7.261 2.792 407 2HG2 VAL 60 HG22 VAL 60 -7.993 7.621 1.476 408 3HG2 VAL 60 HG23 VAL 60 -7.186 6.031 1.522 409 H GLU 61 HN GLU 61 -8.259 4.823 6.526 410 HA GLU 61 HA GLU 61 -9.291 3.689 7.979 411 1HB GLU 61 HB2 GLU 61 -11.238 5.169 7.256 412 2HB GLU 61 HB1 GLU 61 -11.810 3.849 6.247 413 1HG GLU 61 HG2 GLU 61 -13.057 4.008 8.424 414 2HG GLU 61 HG1 GLU 61 -12.183 2.439 8.349 415 H GLY 62 HN GLY 62 -11.661 1.825 6.628 416 1HA GLY 62 HA2 GLY 62 -10.208 0.097 4.931 417 2HA GLY 62 HA1 GLY 62 -10.613 -0.607 6.575 418 H GLU 63 HN GLU 63 -12.209 1.911 4.650 419 HA GLU 63 HA GLU 63 -14.746 0.810 5.437 420 1HB GLU 63 HB2 GLU 63 -14.231 3.260 5.619 421 2HB GLU 63 HB1 GLU 63 -14.024 3.347 3.838 422 1HG GLU 63 HG2 GLU 63 -16.458 2.698 3.547 423 2HG GLU 63 HG1 GLU 63 -16.635 2.623 5.340 424 H LYS 64 HN LYS 64 -13.001 1.566 2.327 425 HA LYS 64 HA LYS 64 -14.489 -0.360 0.934 426 1HB LYS 64 HB2 LYS 64 -16.008 1.934 1.231 427 2HB LYS 64 HB1 LYS 64 -14.995 2.482 -0.129 428 1HG LYS 64 HG2 LYS 64 -15.811 0.358 -1.402 429 2HG LYS 64 HG1 LYS 64 -16.851 0.015 0.023 430 1HD LYS 64 HD2 LYS 64 -17.860 2.357 -0.276 431 2HD LYS 64 HD1 LYS 64 -16.971 2.480 -1.829 432 1HE LYS 64 HE2 LYS 64 -19.100 0.335 -1.109 433 2HE LYS 64 HE1 LYS 64 -19.366 1.791 -2.151 434 1HZ LYS 64 HZ1 LYS 64 -18.986 -0.182 -3.435 435 2HZ LYS 64 HZ2 LYS 64 -17.477 -0.439 -2.700 436 3HZ LYS 64 HZ3 LYS 64 -17.726 0.929 -3.679 437 H CYS 65 HN CYS 65 -13.925 0.924 -1.624 438 HA CYS 65 HA CYS 65 -11.137 1.663 -1.483 439 1HB CYS 65 HB2 CYS 65 -11.067 -0.638 -2.476 440 2HB CYS 65 HB1 CYS 65 -12.543 -0.303 -3.407 441 H HIS 66 HN HIS 66 -10.960 3.400 -3.148 442 HA HIS 66 HA HIS 66 -13.487 4.322 -4.266 443 1HB HIS 66 HB2 HIS 66 -13.615 5.680 -2.253 444 2HB HIS 66 HB1 HIS 66 -11.830 5.773 -2.143 445 HD1 HIS 66 HD1 HIS 66 -11.725 8.225 -1.960 446 HD2 HIS 66 HD2 HIS 66 -13.402 6.964 -5.595 447 HE1 HIS 66 HE1 HIS 66 -11.493 10.130 -3.593 448 HE2 HIS 66 HE2 HIS 66 -12.597 9.369 -5.748 449 H SER 67 HN SER 67 -12.668 3.976 -6.350 450 HA SER 67 HA SER 67 -10.043 3.858 -6.922 451 1HB SER 67 HB2 SER 67 -12.279 4.637 -8.888 452 2HB SER 67 HB1 SER 67 -10.848 3.578 -9.197 453 HG SER 67 HG SER 67 -12.767 2.390 -8.867 454 1HN NH2 68 H1 NH2 68 -8.468 5.531 -7.242 455 2HN NH2 68 H2 NH2 68 -8.873 7.102 -7.877 Start of MODEL 7 1 1H VAL 1 HT1 VAL 1 5.042 13.123 5.609 2 2H VAL 1 HT2 VAL 1 6.673 13.170 5.125 3 3H VAL 1 HT3 VAL 1 6.236 12.428 6.597 4 HA VAL 1 HA VAL 1 5.338 11.556 3.946 5 HB VAL 1 HB VAL 1 6.890 9.620 4.170 6 1HG1 VAL 1 HG11 VAL 1 7.573 11.673 2.899 7 2HG1 VAL 1 HG12 VAL 1 8.970 10.828 3.639 8 3HG1 VAL 1 HG13 VAL 1 8.345 12.340 4.387 9 1HG2 VAL 1 HG21 VAL 1 7.912 11.059 6.716 10 2HG2 VAL 1 HG22 VAL 1 8.714 9.673 5.903 11 3HG2 VAL 1 HG23 VAL 1 7.093 9.456 6.639 12 H ARG 2 HN ARG 2 4.483 9.229 4.060 13 HA ARG 2 HA ARG 2 3.059 8.779 6.623 14 1HB ARG 2 HB2 ARG 2 2.618 7.302 3.945 15 2HB ARG 2 HB1 ARG 2 1.701 7.081 5.465 16 1HG ARG 2 HG2 ARG 2 0.232 8.276 4.268 17 2HG ARG 2 HG1 ARG 2 1.010 9.625 5.158 18 1HD ARG 2 HD2 ARG 2 2.166 10.397 3.150 19 2HD ARG 2 HD1 ARG 2 2.002 8.787 2.354 20 HE ARG 2 HE ARG 2 -0.155 9.294 1.663 21 1HH1 ARG 2 HH21 ARG 2 0.746 11.691 4.175 22 2HH1 ARG 2 HH22 ARG 2 -0.563 12.758 3.801 23 1HH2 ARG 2 HH11 ARG 2 -1.817 10.796 1.118 24 2HH2 ARG 2 HH12 ARG 2 -2.073 12.226 2.065 25 H ASP 3 HN ASP 3 3.093 6.394 7.386 26 HA ASP 3 HA ASP 3 4.819 4.689 5.859 27 1HB ASP 3 HB2 ASP 3 4.673 4.541 8.964 28 2HB ASP 3 HB1 ASP 3 5.631 3.491 7.861 29 H GLY 4 HN GLY 4 3.230 2.857 5.482 30 1HA GLY 4 HA2 GLY 4 1.103 2.633 7.293 31 2HA GLY 4 HA1 GLY 4 0.624 3.483 5.747 32 H TYR 5 HN TYR 5 -0.650 1.280 5.593 33 HA TYR 5 HA TYR 5 1.044 -0.620 4.137 34 1HB TYR 5 HB2 TYR 5 -1.929 -0.574 4.917 35 2HB TYR 5 HB1 TYR 5 -1.372 -1.562 3.524 36 HD1 TYR 5 HD1 TYR 5 0.191 -3.455 3.894 37 HD2 TYR 5 HD2 TYR 5 -1.442 -1.230 7.190 38 HE1 TYR 5 HE1 TYR 5 0.836 -5.261 5.411 39 HE2 TYR 5 HE2 TYR 5 -0.811 -3.049 8.726 40 HH TYR 5 HH TYR 5 0.596 -6.135 7.565 41 H ILE 6 HN ILE 6 0.882 -0.480 1.814 42 HA ILE 6 HA ILE 6 -0.192 2.080 0.879 43 HB ILE 6 HB ILE 6 2.222 1.598 0.419 44 1HG1 ILE 6 HG12 ILE 6 0.307 2.137 -1.926 45 2HG1 ILE 6 HG11 ILE 6 1.074 3.308 -0.817 46 1HG2 ILE 6 HG21 ILE 6 2.799 -0.036 -1.374 47 2HG2 ILE 6 HG22 ILE 6 1.091 -0.569 -1.474 48 3HG2 ILE 6 HG23 ILE 6 2.049 -0.832 0.031 49 1HD1 ILE 6 HD11 ILE 6 2.510 1.577 -2.931 50 2HD1 ILE 6 HD12 ILE 6 3.329 2.704 -1.786 51 3HD1 ILE 6 HD13 ILE 6 2.183 3.339 -3.007 52 H ALA 7 HN ALA 7 -1.534 2.054 -1.064 53 HA ALA 7 HA ALA 7 -2.729 -0.256 -1.988 54 1HB ALA 7 HB1 ALA 7 -4.186 1.701 -0.090 55 2HB ALA 7 HB2 ALA 7 -4.335 -0.098 -0.174 56 3HB ALA 7 HB3 ALA 7 -5.090 0.926 -1.424 57 H GLN 8 HN GLN 8 -4.453 0.927 -3.534 58 HA GLN 8 HA GLN 8 -2.812 2.792 -4.975 59 1HB GLN 8 HB2 GLN 8 -4.288 0.684 -5.787 60 2HB GLN 8 HB1 GLN 8 -5.654 1.823 -5.706 61 1HG GLN 8 HG2 GLN 8 -4.944 1.758 -8.000 62 2HG GLN 8 HG1 GLN 8 -4.343 3.331 -7.390 63 1HE2 GLN 8 HE22 GLN 8 -3.440 -0.110 -8.049 64 2HE2 GLN 8 HE21 GLN 8 -1.742 0.166 -8.270 65 HA PRO 9 HA PRO 9 -5.577 6.212 -3.857 66 1HB PRO 9 HB2 PRO 9 -5.436 7.092 -6.757 67 2HB PRO 9 HB1 PRO 9 -5.132 8.033 -5.250 68 1HG PRO 9 HG1 PRO 9 -3.158 6.925 -6.979 69 2HG PRO 9 HG2 PRO 9 -2.864 7.441 -5.270 70 1HD PRO 9 HD1 PRO 9 -2.958 4.689 -6.369 71 2HD PRO 9 HD2 PRO 9 -2.506 5.246 -4.694 72 H GLU 10 HN GLU 10 -8.858 5.002 -4.980 73 HA GLU 10 HA GLU 10 -7.086 5.769 -2.773 74 1HB GLU 10 HB2 GLU 10 -9.962 6.612 -3.414 75 2HB GLU 10 HB1 GLU 10 -9.248 6.752 -1.775 76 1HG GLU 10 HG2 GLU 10 -8.016 8.164 -4.234 77 2HG GLU 10 HG1 GLU 10 -9.307 8.884 -3.203 78 H ASN 11 HN ASN 11 -6.766 3.896 -1.806 79 HA ASN 11 HA ASN 11 -7.300 2.731 -0.029 80 1HB ASN 11 HB2 ASN 11 -9.145 4.508 0.287 81 2HB ASN 11 HB1 ASN 11 -10.280 3.346 -0.474 82 1HD2 ASN 11 HD22 ASN 11 -11.528 3.270 1.453 83 2HD2 ASN 11 HD21 ASN 11 -10.945 2.615 2.954 84 H CYS 12 HN CYS 12 -7.057 1.718 -2.662 85 HA CYS 12 HA CYS 12 -8.759 -0.718 -2.542 86 1HB CYS 12 HB2 CYS 12 -7.531 0.518 -5.092 87 2HB CYS 12 HB1 CYS 12 -8.678 -0.854 -5.000 88 H VAL 13 HN VAL 13 -7.323 -2.577 -2.214 89 HA VAL 13 HA VAL 13 -4.836 -1.678 -1.443 90 HB VAL 13 HB VAL 13 -4.315 -3.914 -0.684 91 1HG1 VAL 13 HG11 VAL 13 -7.196 -2.960 -0.055 92 2HG1 VAL 13 HG12 VAL 13 -5.682 -2.288 0.654 93 3HG1 VAL 13 HG13 VAL 13 -6.143 -3.997 0.981 94 1HG2 VAL 13 HG21 VAL 13 -7.000 -4.735 -1.979 95 2HG2 VAL 13 HG22 VAL 13 -5.925 -5.743 -0.936 96 3HG2 VAL 13 HG23 VAL 13 -5.354 -5.217 -2.554 97 H TYR 14 HN TYR 14 -2.731 -2.800 -1.784 98 HA TYR 14 HA TYR 14 -2.171 -2.984 -4.637 99 1HB TYR 14 HB2 TYR 14 -0.850 -1.600 -2.299 100 2HB TYR 14 HB1 TYR 14 0.259 -2.808 -2.989 101 HD1 TYR 14 HD1 TYR 14 -0.432 0.527 -3.126 102 HD2 TYR 14 HD2 TYR 14 0.064 -2.807 -5.777 103 HE1 TYR 14 HE1 TYR 14 0.031 2.087 -4.971 104 HE2 TYR 14 HE2 TYR 14 0.570 -1.262 -7.627 105 HH TYR 14 HH TYR 14 -0.319 1.964 -7.495 106 H HIS 15 HN HIS 15 -1.048 -5.286 -4.972 107 HA HIS 15 HA HIS 15 -2.132 -6.848 -2.773 108 1HB HIS 15 HB2 HIS 15 -1.614 -7.444 -5.708 109 2HB HIS 15 HB1 HIS 15 -1.684 -8.775 -4.504 110 HD1 HIS 15 HD1 HIS 15 -3.960 -5.810 -5.427 111 HD2 HIS 15 HD2 HIS 15 -4.123 -9.673 -3.785 112 HE1 HIS 15 HE1 HIS 15 -6.398 -6.354 -5.014 113 HE2 HIS 15 HE2 HIS 15 -6.453 -8.686 -4.031 114 H CYS 16 HN CYS 16 -0.791 -8.987 -2.482 115 HA CYS 16 HA CYS 16 1.966 -8.526 -2.302 116 1HB CYS 16 HB2 CYS 16 0.104 -7.762 -0.077 117 2HB CYS 16 HB1 CYS 16 1.042 -9.211 0.406 118 H PHE 17 HN PHE 17 2.400 -10.742 -0.859 119 HA PHE 17 HA PHE 17 0.573 -12.790 -1.447 120 1HB PHE 17 HB2 PHE 17 3.538 -12.651 -2.467 121 2HB PHE 17 HB1 PHE 17 2.375 -13.980 -2.762 122 HD1 PHE 17 HD1 PHE 17 0.193 -13.270 -4.200 123 HD2 PHE 17 HD2 PHE 17 3.752 -10.838 -3.957 124 HE1 PHE 17 HE1 PHE 17 -0.433 -12.122 -6.282 125 HE2 PHE 17 HE2 PHE 17 3.095 -9.697 -6.026 126 HZ PHE 17 HZ PHE 17 1.004 -10.322 -7.196 127 HA PRO 18 HA PRO 18 3.518 -13.148 2.151 128 1HB PRO 18 HB2 PRO 18 4.195 -15.861 2.347 129 2HB PRO 18 HB1 PRO 18 2.581 -15.215 2.824 130 1HG PRO 18 HG1 PRO 18 3.358 -16.434 0.118 131 2HG PRO 18 HG2 PRO 18 1.981 -16.923 1.198 132 1HD PRO 18 HD1 PRO 18 1.560 -15.171 -0.885 133 2HD PRO 18 HD2 PRO 18 0.803 -14.832 0.738 134 H GLY 19 HN GLY 19 4.718 -11.989 -0.131 135 1HA GLY 19 HA2 GLY 19 7.374 -12.701 0.135 136 2HA GLY 19 HA1 GLY 19 6.649 -13.338 -1.429 137 H SER 20 HN SER 20 8.475 -10.914 -1.059 138 HA SER 20 HA SER 20 6.597 -8.707 -1.053 139 1HB SER 20 HB2 SER 20 9.668 -8.689 -0.804 140 2HB SER 20 HB1 SER 20 8.533 -7.350 -0.395 141 HG SER 20 HG SER 20 9.336 -8.664 1.372 142 H SER 21 HN SER 21 7.421 -10.443 -3.630 143 HA SER 21 HA SER 21 9.377 -9.082 -4.996 144 1HB SER 21 HB2 SER 21 8.154 -10.404 -6.992 145 2HB SER 21 HB1 SER 21 8.979 -11.303 -5.673 146 HG SER 21 HG SER 21 6.881 -12.079 -6.042 147 H GLY 22 HN GLY 22 5.891 -9.153 -5.687 148 1HA GLY 22 HA2 GLY 22 5.989 -6.978 -7.504 149 2HA GLY 22 HA1 GLY 22 4.519 -7.683 -6.717 150 H CYS 23 HN CYS 23 5.229 -7.284 -4.042 151 HA CYS 23 HA CYS 23 4.139 -4.796 -3.598 152 1HB CYS 23 HB2 CYS 23 3.938 -6.544 -1.966 153 2HB CYS 23 HB1 CYS 23 5.705 -6.694 -1.786 154 H ASP 24 HN ASP 24 7.625 -5.801 -3.037 155 HA ASP 24 HA ASP 24 8.264 -3.238 -2.122 156 1HB ASP 24 HB2 ASP 24 9.511 -5.424 -1.597 157 2HB ASP 24 HB1 ASP 24 10.222 -5.332 -3.248 158 H THR 25 HN THR 25 8.374 -4.789 -5.318 159 HA THR 25 HA THR 25 9.781 -2.806 -6.674 160 HB THR 25 HB THR 25 7.487 -4.555 -7.666 161 HG1 THR 25 HG1 THR 25 8.952 -5.990 -7.025 162 1HG2 THR 25 HG21 THR 25 8.067 -2.757 -9.307 163 2HG2 THR 25 HG22 THR 25 8.677 -4.335 -9.902 164 3HG2 THR 25 HG23 THR 25 9.819 -3.152 -9.160 165 H LEU 26 HN LEU 26 6.191 -3.162 -6.107 166 HA LEU 26 HA LEU 26 5.574 -0.807 -7.555 167 1HB LEU 26 HB2 LEU 26 4.009 -2.511 -5.549 168 2HB LEU 26 HB1 LEU 26 3.273 -1.105 -6.393 169 HG LEU 26 HG LEU 26 4.647 -3.373 -7.941 170 1HD1 LEU 26 HD11 LEU 26 2.484 -4.505 -8.233 171 2HD1 LEU 26 HD12 LEU 26 1.680 -3.328 -7.131 172 3HD1 LEU 26 HD13 LEU 26 2.945 -4.431 -6.492 173 1HD2 LEU 26 HD21 LEU 26 4.244 -1.276 -9.209 174 2HD2 LEU 26 HD22 LEU 26 2.507 -1.308 -8.774 175 3HD2 LEU 26 HD23 LEU 26 3.201 -2.606 -9.819 176 H CYS 27 HN CYS 27 6.026 -1.607 -4.128 177 HA CYS 27 HA CYS 27 5.439 0.861 -3.036 178 1HB CYS 27 HB2 CYS 27 5.983 -1.252 -1.728 179 2HB CYS 27 HB1 CYS 27 7.705 -1.055 -2.182 180 H LYS 28 HN LYS 28 8.560 -0.323 -4.478 181 HA LYS 28 HA LYS 28 10.041 1.921 -3.797 182 1HB LYS 28 HB2 LYS 28 11.010 -0.245 -4.587 183 2HB LYS 28 HB1 LYS 28 10.373 0.077 -6.231 184 1HG LYS 28 HG2 LYS 28 11.891 2.099 -6.398 185 2HG LYS 28 HG1 LYS 28 12.411 1.817 -4.707 186 1HD LYS 28 HD2 LYS 28 14.169 1.024 -6.049 187 2HD LYS 28 HD1 LYS 28 13.359 -0.459 -5.454 188 1HE LYS 28 HE2 LYS 28 12.900 0.813 -8.259 189 2HE LYS 28 HE1 LYS 28 14.127 -0.466 -7.912 190 1HZ LYS 28 HZ1 LYS 28 11.186 -0.723 -7.619 191 2HZ LYS 28 HZ2 LYS 28 12.328 -1.903 -7.190 192 3HZ LYS 28 HZ3 LYS 28 12.175 -1.421 -8.810 193 H GLU 29 HN GLU 29 8.221 1.204 -6.850 194 HA GLU 29 HA GLU 29 9.194 3.568 -8.059 195 1HB GLU 29 HB2 GLU 29 7.655 3.098 -9.935 196 2HB GLU 29 HB1 GLU 29 8.676 1.702 -9.455 197 1HG GLU 29 HG2 GLU 29 6.660 0.871 -8.075 198 2HG GLU 29 HG1 GLU 29 5.658 2.103 -8.923 199 H LYS 30 HN LYS 30 6.445 3.041 -5.929 200 HA LYS 30 HA LYS 30 5.392 5.683 -6.657 201 1HB LYS 30 HB2 LYS 30 4.352 3.510 -4.766 202 2HB LYS 30 HB1 LYS 30 3.624 5.142 -4.886 203 1HG LYS 30 HG2 LYS 30 3.841 3.108 -7.195 204 2HG LYS 30 HG1 LYS 30 2.378 3.471 -6.220 205 1HD LYS 30 HD2 LYS 30 2.592 5.932 -7.055 206 2HD LYS 30 HD1 LYS 30 3.868 5.339 -8.171 207 1HE LYS 30 HE2 LYS 30 1.788 5.464 -9.428 208 2HE LYS 30 HE1 LYS 30 2.175 3.710 -9.176 209 1HZ LYS 30 HZ1 LYS 30 0.649 3.805 -7.248 210 2HZ LYS 30 HZ2 LYS 30 -0.093 4.066 -8.749 211 3HZ LYS 30 HZ3 LYS 30 0.201 5.378 -7.712 212 H GLY 31 HN GLY 31 7.950 4.554 -4.886 213 1HA GLY 31 HA2 GLY 31 9.360 5.974 -4.005 214 2HA GLY 31 HA1 GLY 31 8.059 7.204 -3.786 215 H GLY 32 HN GLY 32 7.868 3.827 -2.548 216 1HA GLY 32 HA2 GLY 32 8.253 4.884 0.185 217 2HA GLY 32 HA1 GLY 32 7.560 3.291 -0.348 218 H THR 33 HN THR 33 10.019 3.887 1.462 219 HA THR 33 HA THR 33 12.214 3.638 -0.341 220 HB THR 33 HB THR 33 13.568 3.575 1.802 221 HG1 THR 33 HG1 THR 33 12.088 2.746 3.219 222 1HG2 THR 33 HG21 THR 33 12.975 5.660 0.509 223 2HG2 THR 33 HG22 THR 33 13.035 5.979 2.277 224 3HG2 THR 33 HG23 THR 33 11.448 5.821 1.434 225 H SER 34 HN SER 34 10.359 1.341 1.742 226 HA SER 34 HA SER 34 11.141 -0.708 0.126 227 1HB SER 34 HB2 SER 34 12.257 -0.844 3.023 228 2HB SER 34 HB1 SER 34 12.092 -2.261 1.919 229 HG SER 34 HG SER 34 13.407 -0.070 0.850 230 H GLY 35 HN GLY 35 9.940 -2.775 1.630 231 1HA GLY 35 HA2 GLY 35 7.747 -1.895 3.054 232 2HA GLY 35 HA1 GLY 35 7.432 -2.141 1.262 233 H HIS 36 HN HIS 36 6.229 -4.232 2.598 234 HA HIS 36 HA HIS 36 7.745 -6.479 2.158 235 1HB HIS 36 HB2 HIS 36 7.666 -7.357 4.548 236 2HB HIS 36 HB1 HIS 36 8.865 -6.045 4.367 237 HD1 HIS 36 HD1 HIS 36 8.185 -3.680 5.412 238 HD2 HIS 36 HD2 HIS 36 5.604 -6.843 6.406 239 HE1 HIS 36 HE1 HIS 36 6.788 -2.927 7.385 240 HE2 HIS 36 HE2 HIS 36 5.260 -4.860 7.961 241 H CYS 37 HN CYS 37 5.970 -8.223 3.493 242 HA CYS 37 HA CYS 37 3.337 -7.105 2.836 243 1HB CYS 37 HB2 CYS 37 4.545 -9.880 2.159 244 2HB CYS 37 HB1 CYS 37 2.796 -9.514 2.059 245 H GLY 38 HN GLY 38 1.628 -8.176 4.062 246 1HA GLY 38 HA2 GLY 38 1.519 -10.349 5.421 247 2HA GLY 38 HA1 GLY 38 2.556 -9.363 6.541 248 H PHE 39 HN PHE 39 -0.805 -9.933 5.423 249 HA PHE 39 HA PHE 39 -1.822 -8.281 7.343 250 1HB PHE 39 HB2 PHE 39 -1.166 -6.539 5.393 251 2HB PHE 39 HB1 PHE 39 -2.354 -7.413 4.387 252 HD1 PHE 39 HD1 PHE 39 -2.331 -6.196 8.016 253 HD2 PHE 39 HD2 PHE 39 -4.178 -5.975 4.120 254 HE1 PHE 39 HE1 PHE 39 -3.983 -4.600 8.877 255 HE2 PHE 39 HE2 PHE 39 -5.815 -4.375 5.000 256 HZ PHE 39 HZ PHE 39 -5.709 -3.646 7.369 257 H LYS 40 HN LYS 40 -4.401 -8.681 6.751 258 HA LYS 40 HA LYS 40 -5.037 -10.116 4.498 259 1HB LYS 40 HB2 LYS 40 -5.907 -12.248 5.426 260 2HB LYS 40 HB1 LYS 40 -4.128 -12.191 5.525 261 1HG LYS 40 HG2 LYS 40 -5.533 -11.225 8.020 262 2HG LYS 40 HG1 LYS 40 -5.876 -12.918 7.562 263 1HD LYS 40 HD2 LYS 40 -3.466 -13.458 7.507 264 2HD LYS 40 HD1 LYS 40 -3.053 -11.765 7.967 265 1HE LYS 40 HE2 LYS 40 -4.233 -12.028 10.151 266 2HE LYS 40 HE1 LYS 40 -4.792 -13.685 9.679 267 1HZ LYS 40 HZ1 LYS 40 -2.883 -13.699 11.135 268 2HZ LYS 40 HZ2 LYS 40 -1.952 -12.865 9.988 269 3HZ LYS 40 HZ3 LYS 40 -2.541 -14.422 9.638 270 H VAL 41 HN VAL 41 -5.831 -7.671 6.057 271 HA VAL 41 HA VAL 41 -8.210 -8.645 7.475 272 HB VAL 41 HB VAL 41 -6.529 -6.179 8.092 273 1HG1 VAL 41 HG11 VAL 41 -8.905 -6.040 8.861 274 2HG1 VAL 41 HG12 VAL 41 -7.784 -6.230 10.250 275 3HG1 VAL 41 HG13 VAL 41 -8.744 -7.647 9.678 276 1HG2 VAL 41 HG21 VAL 41 -6.449 -9.008 9.342 277 2HG2 VAL 41 HG22 VAL 41 -5.713 -7.542 10.086 278 3HG2 VAL 41 HG23 VAL 41 -5.092 -8.142 8.520 279 H GLY 42 HN GLY 42 -10.163 -7.782 6.716 280 1HA GLY 42 HA2 GLY 42 -11.503 -6.070 6.225 281 2HA GLY 42 HA1 GLY 42 -10.085 -5.023 5.853 282 H HIS 43 HN HIS 43 -9.171 -5.091 3.721 283 HA HIS 43 HA HIS 43 -11.252 -5.684 1.775 284 1HB HIS 43 HB2 HIS 43 -8.470 -4.382 1.525 285 2HB HIS 43 HB1 HIS 43 -9.590 -4.617 0.136 286 HD1 HIS 43 HD1 HIS 43 -8.712 -1.825 0.690 287 HD2 HIS 43 HD2 HIS 43 -12.160 -3.453 2.452 288 HE1 HIS 43 HE1 HIS 43 -10.236 0.100 1.261 289 HE2 HIS 43 HE2 HIS 43 -12.304 -0.918 2.326 290 H GLY 44 HN GLY 44 -7.708 -6.550 2.375 291 1HA GLY 44 HA2 GLY 44 -7.902 -9.139 1.698 292 2HA GLY 44 HA1 GLY 44 -7.495 -8.158 0.195 293 H LEU 45 HN LEU 45 -5.256 -9.370 0.893 294 HA LEU 45 HA LEU 45 -3.943 -7.853 2.909 295 1HB LEU 45 HB2 LEU 45 -2.569 -9.444 3.246 296 2HB LEU 45 HB1 LEU 45 -3.642 -10.388 2.307 297 HG LEU 45 HG LEU 45 -1.343 -9.052 0.836 298 1HD1 LEU 45 HD11 LEU 45 -1.261 -11.747 2.344 299 2HD1 LEU 45 HD12 LEU 45 -0.346 -10.258 2.777 300 3HD1 LEU 45 HD13 LEU 45 0.007 -11.112 1.231 301 1HD2 LEU 45 HD21 LEU 45 -1.699 -11.143 -0.605 302 2HD2 LEU 45 HD22 LEU 45 -3.122 -10.031 -0.568 303 3HD2 LEU 45 HD23 LEU 45 -3.113 -11.555 0.408 304 H ALA 46 HN ALA 46 -1.968 -6.503 2.529 305 HA ALA 46 HA ALA 46 -2.412 -4.938 0.145 306 1HB ALA 46 HB1 ALA 46 -3.841 -3.842 1.904 307 2HB ALA 46 HB2 ALA 46 -2.404 -2.837 1.528 308 3HB ALA 46 HB3 ALA 46 -2.442 -3.838 3.030 309 H CYS 47 HN CYS 47 -0.355 -3.084 0.555 310 HA CYS 47 HA CYS 47 1.884 -4.955 1.122 311 1HB CYS 47 HB2 CYS 47 1.783 -4.700 -1.290 312 2HB CYS 47 HB1 CYS 47 1.351 -2.974 -1.130 313 H TRP 48 HN TRP 48 3.824 -3.790 2.107 314 HA TRP 48 HA TRP 48 2.781 -1.510 3.666 315 1HB TRP 48 HB2 TRP 48 3.746 -3.404 4.999 316 2HB TRP 48 HB1 TRP 48 5.287 -3.218 4.100 317 HD1 TRP 48 HD1 TRP 48 6.932 -1.199 4.961 318 HE1 TRP 48 HE1 TRP 48 6.834 0.479 6.925 319 HE3 TRP 48 HE3 TRP 48 2.171 -2.163 6.542 320 HZ2 TRP 48 HZ2 TRP 48 4.967 1.244 8.909 321 HZ3 TRP 48 HZ3 TRP 48 1.279 -0.920 8.486 322 HH2 TRP 48 HH2 TRP 48 2.655 0.767 9.652 323 H CYS 49 HN CYS 49 4.204 0.472 3.805 324 HA CYS 49 HA CYS 49 6.549 0.426 2.189 325 1HB CYS 49 HB2 CYS 49 4.248 2.434 1.699 326 2HB CYS 49 HB1 CYS 49 5.963 2.851 1.369 327 H ASN 50 HN ASN 50 7.986 2.012 3.052 328 HA ASN 50 HA ASN 50 6.972 3.440 5.409 329 1HB ASN 50 HB2 ASN 50 9.294 1.615 5.199 330 2HB ASN 50 HB1 ASN 50 9.913 3.274 5.426 331 1HD2 ASN 50 HD21 ASN 50 9.801 4.175 7.535 332 2HD2 ASN 50 HD22 ASN 50 9.059 3.381 8.883 333 H ALA 51 HN ALA 51 7.455 5.636 5.280 334 HA ALA 51 HA ALA 51 8.053 7.543 4.590 335 1HB ALA 51 HB1 ALA 51 10.260 7.946 3.482 336 2HB ALA 51 HB2 ALA 51 10.424 6.162 3.262 337 3HB ALA 51 HB3 ALA 51 10.381 6.859 4.920 338 H LEU 52 HN LEU 52 5.946 7.067 3.325 339 HA LEU 52 HA LEU 52 6.450 7.291 0.421 340 1HB LEU 52 HB2 LEU 52 3.889 6.910 2.041 341 2HB LEU 52 HB1 LEU 52 3.832 7.516 0.356 342 HG LEU 52 HG LEU 52 5.223 4.903 1.107 343 1HD1 LEU 52 HD11 LEU 52 2.824 4.734 1.746 344 2HD1 LEU 52 HD12 LEU 52 3.159 3.753 0.274 345 3HD1 LEU 52 HD13 LEU 52 2.333 5.343 0.109 346 1HD2 LEU 52 HD21 LEU 52 4.140 5.878 -1.626 347 2HD2 LEU 52 HD22 LEU 52 5.035 4.362 -1.301 348 3HD2 LEU 52 HD23 LEU 52 5.860 5.941 -1.134 349 HA PRO 53 HA PRO 53 5.984 11.646 1.409 350 1HB PRO 53 HB2 PRO 53 5.497 12.147 -1.539 351 2HB PRO 53 HB1 PRO 53 6.808 12.807 -0.500 352 1HG PRO 53 HG1 PRO 53 7.242 10.852 -2.435 353 2HG PRO 53 HG2 PRO 53 8.194 10.920 -0.891 354 1HD PRO 53 HD1 PRO 53 5.813 9.095 -1.552 355 2HD PRO 53 HD2 PRO 53 7.354 8.740 -0.677 356 H ASP 54 HN ASP 54 4.358 13.455 0.951 357 HA ASP 54 HA ASP 54 1.810 12.259 1.336 358 1HB ASP 54 HB2 ASP 54 2.536 15.219 1.167 359 2HB ASP 54 HB1 ASP 54 1.100 14.477 1.995 360 H ASN 55 HN ASN 55 2.857 12.054 -1.488 361 HA ASN 55 HA ASN 55 0.658 13.494 -2.816 362 1HB ASN 55 HB2 ASN 55 1.822 13.219 -4.947 363 2HB ASN 55 HB1 ASN 55 2.842 14.164 -3.811 364 1HD2 ASN 55 HD21 ASN 55 3.782 12.696 -6.211 365 2HD2 ASN 55 HD22 ASN 55 4.877 11.470 -5.647 366 H VAL 56 HN VAL 56 1.504 10.622 -1.356 367 HA VAL 56 HA VAL 56 0.328 8.945 -3.443 368 HB VAL 56 HB VAL 56 1.635 8.028 -0.828 369 1HG1 VAL 56 HG11 VAL 56 0.412 6.260 -2.067 370 2HG1 VAL 56 HG12 VAL 56 2.165 6.005 -2.311 371 3HG1 VAL 56 HG13 VAL 56 1.191 6.747 -3.622 372 1HG2 VAL 56 HG21 VAL 56 3.292 9.561 -1.874 373 2HG2 VAL 56 HG22 VAL 56 3.058 8.802 -3.470 374 3HG2 VAL 56 HG23 VAL 56 3.811 7.896 -2.106 375 H GLY 57 HN GLY 57 -1.369 7.220 -2.379 376 1HA GLY 57 HA2 GLY 57 -2.755 8.331 -0.142 377 2HA GLY 57 HA1 GLY 57 -3.617 8.127 -1.750 378 H ILE 58 HN ILE 58 -4.054 6.358 0.655 379 HA ILE 58 HA ILE 58 -2.853 3.866 -0.150 380 HB ILE 58 HB ILE 58 -1.799 3.556 2.100 381 1HG1 ILE 58 HG12 ILE 58 -2.176 6.616 2.373 382 2HG1 ILE 58 HG11 ILE 58 -2.948 5.366 3.403 383 1HG2 ILE 58 HG21 ILE 58 -0.643 4.213 -0.087 384 2HG2 ILE 58 HG22 ILE 58 0.276 4.482 1.442 385 3HG2 ILE 58 HG23 ILE 58 -0.496 5.872 0.587 386 1HD1 ILE 58 HD11 ILE 58 0.061 6.043 3.211 387 2HD1 ILE 58 HD12 ILE 58 -0.575 4.577 4.049 388 3HD1 ILE 58 HD13 ILE 58 -1.040 6.223 4.627 389 H ILE 59 HN ILE 59 -3.378 2.919 2.685 390 HA ILE 59 HA ILE 59 -6.106 2.356 2.368 391 HB ILE 59 HB ILE 59 -4.609 2.011 5.005 392 1HG1 ILE 59 HG12 ILE 59 -3.134 1.076 3.275 393 2HG1 ILE 59 HG11 ILE 59 -3.830 -0.141 4.385 394 1HG2 ILE 59 HG21 ILE 59 -6.174 -0.017 5.102 395 2HG2 ILE 59 HG22 ILE 59 -6.967 0.561 3.595 396 3HG2 ILE 59 HG23 ILE 59 -7.034 1.558 5.100 397 1HD1 ILE 59 HD11 ILE 59 -5.201 -1.111 2.695 398 2HD1 ILE 59 HD12 ILE 59 -3.652 -0.727 1.850 399 3HD1 ILE 59 HD13 ILE 59 -5.093 0.345 1.652 400 H VAL 60 HN VAL 60 -7.840 3.409 3.109 401 HA VAL 60 HA VAL 60 -7.527 5.638 4.998 402 HB VAL 60 HB VAL 60 -7.563 5.809 2.181 403 1HG1 VAL 60 HG11 VAL 60 -9.566 6.936 1.472 404 2HG1 VAL 60 HG12 VAL 60 -10.297 6.844 3.123 405 3HG1 VAL 60 HG13 VAL 60 -10.036 5.349 2.164 406 1HG2 VAL 60 HG21 VAL 60 -6.510 7.371 3.742 407 2HG2 VAL 60 HG22 VAL 60 -8.127 7.970 4.280 408 3HG2 VAL 60 HG23 VAL 60 -7.584 8.239 2.578 409 H GLU 61 HN GLU 61 -8.422 2.833 4.901 410 HA GLU 61 HA GLU 61 -11.141 2.597 4.546 411 1HB GLU 61 HB2 GLU 61 -9.523 0.730 4.395 412 2HB GLU 61 HB1 GLU 61 -9.411 0.708 6.196 413 1HG GLU 61 HG2 GLU 61 -11.857 0.117 6.314 414 2HG GLU 61 HG1 GLU 61 -11.970 0.221 4.517 415 H GLY 62 HN GLY 62 -12.924 2.600 5.664 416 1HA GLY 62 HA2 GLY 62 -13.736 3.095 8.088 417 2HA GLY 62 HA1 GLY 62 -12.789 4.614 7.678 418 H GLU 63 HN GLU 63 -12.877 4.735 5.033 419 HA GLU 63 HA GLU 63 -15.648 4.338 4.126 420 1HB GLU 63 HB2 GLU 63 -14.362 6.564 3.542 421 2HB GLU 63 HB1 GLU 63 -13.415 5.553 2.410 422 1HG GLU 63 HG2 GLU 63 -15.816 4.855 1.443 423 2HG GLU 63 HG1 GLU 63 -16.447 6.204 2.448 424 H LYS 64 HN LYS 64 -14.151 3.755 1.320 425 HA LYS 64 HA LYS 64 -13.136 1.155 1.891 426 1HB LYS 64 HB2 LYS 64 -15.805 1.199 1.903 427 2HB LYS 64 HB1 LYS 64 -15.673 1.356 0.135 428 1HG LYS 64 HG2 LYS 64 -14.626 -0.855 -0.035 429 2HG LYS 64 HG1 LYS 64 -14.240 -0.884 1.716 430 1HD LYS 64 HD2 LYS 64 -17.085 -1.019 0.536 431 2HD LYS 64 HD1 LYS 64 -16.111 -2.422 1.086 432 1HE LYS 64 HE2 LYS 64 -17.166 -0.118 2.871 433 2HE LYS 64 HE1 LYS 64 -17.729 -1.833 2.840 434 1HZ LYS 64 HZ1 LYS 64 -15.645 -2.536 3.684 435 2HZ LYS 64 HZ2 LYS 64 -16.209 -1.261 4.659 436 3HZ LYS 64 HZ3 LYS 64 -14.966 -0.986 3.538 437 H CYS 65 HN CYS 65 -13.220 0.336 -0.778 438 HA CYS 65 HA CYS 65 -11.261 1.976 -1.945 439 1HB CYS 65 HB2 CYS 65 -11.236 -0.431 -2.341 440 2HB CYS 65 HB1 CYS 65 -12.936 -0.399 -2.898 441 H HIS 66 HN HIS 66 -11.388 3.627 -3.545 442 HA HIS 66 HA HIS 66 -13.780 3.797 -5.088 443 1HB HIS 66 HB2 HIS 66 -14.320 6.177 -4.466 444 2HB HIS 66 HB1 HIS 66 -14.654 5.035 -3.137 445 HD1 HIS 66 HD1 HIS 66 -12.594 4.930 -1.251 446 HD2 HIS 66 HD2 HIS 66 -12.956 8.404 -3.585 447 HE1 HIS 66 HE1 HIS 66 -11.455 6.806 0.003 448 HE2 HIS 66 HE2 HIS 66 -11.714 8.884 -1.426 449 H SER 67 HN SER 67 -13.494 5.920 -6.511 450 HA SER 67 HA SER 67 -11.053 5.728 -7.813 451 1HB SER 67 HB2 SER 67 -13.136 8.003 -7.901 452 2HB SER 67 HB1 SER 67 -11.941 7.584 -9.189 453 HG SER 67 HG SER 67 -14.029 6.752 -9.599 454 1HN NH2 68 H1 NH2 68 -8.999 8.145 -6.180 455 2HN NH2 68 H2 NH2 68 -9.088 6.716 -7.152 Start of MODEL 8 1 1H VAL 1 HT1 VAL 1 5.216 12.813 5.222 2 2H VAL 1 HT2 VAL 1 6.786 12.576 4.604 3 3H VAL 1 HT3 VAL 1 6.383 12.011 6.158 4 HA VAL 1 HA VAL 1 5.297 11.093 3.595 5 HB VAL 1 HB VAL 1 6.381 8.890 4.218 6 1HG1 VAL 1 HG11 VAL 1 8.704 9.543 3.740 7 2HG1 VAL 1 HG12 VAL 1 8.361 11.251 4.195 8 3HG1 VAL 1 HG13 VAL 1 7.556 10.527 2.755 9 1HG2 VAL 1 HG21 VAL 1 8.009 8.755 6.078 10 2HG2 VAL 1 HG22 VAL 1 6.379 9.135 6.727 11 3HG2 VAL 1 HG23 VAL 1 7.619 10.434 6.595 12 H ARG 2 HN ARG 2 4.497 8.452 4.622 13 HA ARG 2 HA ARG 2 3.130 8.800 7.037 14 1HB ARG 2 HB2 ARG 2 1.078 7.569 6.183 15 2HB ARG 2 HB1 ARG 2 1.095 9.281 5.668 16 1HG ARG 2 HG2 ARG 2 2.091 7.010 3.834 17 2HG ARG 2 HG1 ARG 2 0.363 7.400 4.008 18 1HD ARG 2 HD2 ARG 2 2.007 9.846 3.414 19 2HD ARG 2 HD1 ARG 2 2.193 8.562 2.177 20 HE ARG 2 HE ARG 2 -0.184 8.602 1.705 21 1HH1 ARG 2 HH11 ARG 2 0.797 11.163 4.028 22 2HH1 ARG 2 HH12 ARG 2 -0.592 12.144 3.706 23 1HH2 ARG 2 HH21 ARG 2 -1.943 9.975 1.226 24 2HH2 ARG 2 HH22 ARG 2 -2.174 11.461 2.082 25 H ASP 3 HN ASP 3 2.600 6.169 7.399 26 HA ASP 3 HA ASP 3 4.429 4.618 5.781 27 1HB ASP 3 HB2 ASP 3 4.009 4.101 8.809 28 2HB ASP 3 HB1 ASP 3 5.235 3.372 7.718 29 H GLY 4 HN GLY 4 2.878 2.768 5.158 30 1HA GLY 4 HA2 GLY 4 0.711 2.436 6.916 31 2HA GLY 4 HA1 GLY 4 0.257 3.343 5.401 32 H TYR 5 HN TYR 5 -0.965 1.045 5.514 33 HA TYR 5 HA TYR 5 0.524 -0.977 4.078 34 1HB TYR 5 HB2 TYR 5 -2.400 -0.506 4.926 35 2HB TYR 5 HB1 TYR 5 -2.130 -1.558 3.507 36 HD1 TYR 5 HD1 TYR 5 -1.419 -3.795 3.795 37 HD2 TYR 5 HD2 TYR 5 -1.244 -1.114 7.146 38 HE1 TYR 5 HE1 TYR 5 -0.969 -5.692 5.283 39 HE2 TYR 5 HE2 TYR 5 -0.790 -3.017 8.652 40 HH TYR 5 HH TYR 5 -1.392 -6.230 7.733 41 H ILE 6 HN ILE 6 0.571 -1.037 1.775 42 HA ILE 6 HA ILE 6 -0.353 1.476 0.548 43 HB ILE 6 HB ILE 6 2.046 0.893 0.311 44 1HG1 ILE 6 HG12 ILE 6 0.519 1.077 -2.357 45 2HG1 ILE 6 HG11 ILE 6 0.809 2.446 -1.240 46 1HG2 ILE 6 HG21 ILE 6 0.972 -1.353 -1.543 47 2HG2 ILE 6 HG22 ILE 6 1.660 -1.571 0.113 48 3HG2 ILE 6 HG23 ILE 6 2.687 -0.944 -1.224 49 1HD1 ILE 6 HD11 ILE 6 2.470 2.474 -3.056 50 2HD1 ILE 6 HD12 ILE 6 2.978 0.792 -2.673 51 3HD1 ILE 6 HD13 ILE 6 3.294 2.124 -1.495 52 H ALA 7 HN ALA 7 -1.473 1.458 -1.452 53 HA ALA 7 HA ALA 7 -2.972 -0.661 -2.365 54 1HB ALA 7 HB1 ALA 7 -5.159 0.715 -1.756 55 2HB ALA 7 HB2 ALA 7 -4.157 1.556 -0.541 56 3HB ALA 7 HB3 ALA 7 -4.437 -0.213 -0.407 57 H GLN 8 HN GLN 8 -4.646 0.957 -3.792 58 HA GLN 8 HA GLN 8 -2.881 3.019 -4.907 59 1HB GLN 8 HB2 GLN 8 -5.388 1.543 -5.935 60 2HB GLN 8 HB1 GLN 8 -4.639 2.881 -6.847 61 1HG GLN 8 HG2 GLN 8 -2.778 1.631 -7.529 62 2HG GLN 8 HG1 GLN 8 -2.805 0.561 -6.086 63 1HE2 GLN 8 HE21 GLN 8 -5.056 -0.719 -5.872 64 2HE2 GLN 8 HE22 GLN 8 -5.461 -1.584 -7.316 65 HA PRO 9 HA PRO 9 -5.773 5.982 -3.424 66 1HB PRO 9 HB2 PRO 9 -6.137 6.742 -6.397 67 2HB PRO 9 HB1 PRO 9 -6.037 7.880 -4.988 68 1HG PRO 9 HG1 PRO 9 -3.819 7.403 -6.497 69 2HG PRO 9 HG2 PRO 9 -3.653 7.350 -4.697 70 1HD PRO 9 HD1 PRO 9 -3.893 4.997 -6.647 71 2HD PRO 9 HD2 PRO 9 -2.867 5.179 -5.133 72 H GLU 10 HN GLU 10 -9.219 4.912 -3.983 73 HA GLU 10 HA GLU 10 -7.131 5.724 -2.078 74 1HB GLU 10 HB2 GLU 10 -10.042 6.730 -2.309 75 2HB GLU 10 HB1 GLU 10 -8.888 7.145 -0.995 76 1HG GLU 10 HG2 GLU 10 -7.470 8.417 -2.625 77 2HG GLU 10 HG1 GLU 10 -8.575 7.919 -3.963 78 H ASN 11 HN ASN 11 -7.037 3.950 -0.667 79 HA ASN 11 HA ASN 11 -7.668 2.300 0.546 80 1HB ASN 11 HB2 ASN 11 -9.771 3.953 1.009 81 2HB ASN 11 HB1 ASN 11 -10.650 2.637 0.209 82 1HD2 ASN 11 HD21 ASN 11 -10.082 3.799 3.184 83 2HD2 ASN 11 HD22 ASN 11 -9.967 2.367 4.137 84 H CYS 12 HN CYS 12 -7.490 2.311 -2.425 85 HA CYS 12 HA CYS 12 -9.123 -0.073 -3.085 86 1HB CYS 12 HB2 CYS 12 -7.555 1.805 -4.926 87 2HB CYS 12 HB1 CYS 12 -8.515 0.387 -5.454 88 H VAL 13 HN VAL 13 -7.935 -1.699 -2.056 89 HA VAL 13 HA VAL 13 -5.264 -1.541 -1.757 90 HB VAL 13 HB VAL 13 -5.222 -3.829 -0.913 91 1HG1 VAL 13 HG11 VAL 13 -7.463 -1.934 0.065 92 2HG1 VAL 13 HG12 VAL 13 -5.711 -1.856 0.471 93 3HG1 VAL 13 HG13 VAL 13 -6.674 -3.269 1.009 94 1HG2 VAL 13 HG21 VAL 13 -6.870 -4.864 -2.446 95 2HG2 VAL 13 HG22 VAL 13 -8.200 -3.856 -1.760 96 3HG2 VAL 13 HG23 VAL 13 -7.347 -5.063 -0.727 97 H TYR 14 HN TYR 14 -3.616 -3.022 -2.080 98 HA TYR 14 HA TYR 14 -3.225 -3.675 -4.863 99 1HB TYR 14 HB2 TYR 14 -1.591 -2.185 -2.778 100 2HB TYR 14 HB1 TYR 14 -0.698 -3.579 -3.360 101 HD1 TYR 14 HD1 TYR 14 -1.687 -3.532 -6.345 102 HD2 TYR 14 HD2 TYR 14 -0.281 -0.452 -3.682 103 HE1 TYR 14 HE1 TYR 14 -1.107 -2.142 -8.270 104 HE2 TYR 14 HE2 TYR 14 0.419 0.894 -5.611 105 HH TYR 14 HH TYR 14 -0.451 -0.017 -8.939 106 H HIS 15 HN HIS 15 -1.334 -5.801 -4.386 107 HA HIS 15 HA HIS 15 -2.294 -7.180 -2.068 108 1HB HIS 15 HB2 HIS 15 -2.506 -8.239 -4.975 109 2HB HIS 15 HB1 HIS 15 -2.325 -9.322 -3.555 110 HD1 HIS 15 HD1 HIS 15 -4.730 -6.428 -4.371 111 HD2 HIS 15 HD2 HIS 15 -4.738 -10.323 -2.808 112 HE1 HIS 15 HE1 HIS 15 -7.123 -6.998 -3.796 113 HE2 HIS 15 HE2 HIS 15 -7.094 -9.357 -2.863 114 H CYS 16 HN CYS 16 -0.491 -8.710 -1.664 115 HA CYS 16 HA CYS 16 1.962 -7.580 -2.736 116 1HB CYS 16 HB2 CYS 16 1.402 -7.708 -0.151 117 2HB CYS 16 HB1 CYS 16 1.689 -9.462 -0.317 118 H PHE 17 HN PHE 17 3.727 -9.608 -2.726 119 HA PHE 17 HA PHE 17 2.363 -11.931 -3.879 120 1HB PHE 17 HB2 PHE 17 5.114 -10.660 -4.555 121 2HB PHE 17 HB1 PHE 17 4.574 -12.291 -5.099 122 HD1 PHE 17 HD1 PHE 17 2.948 -12.504 -6.908 123 HD2 PHE 17 HD2 PHE 17 3.932 -8.616 -5.349 124 HE1 PHE 17 HE1 PHE 17 1.772 -11.438 -8.803 125 HE2 PHE 17 HE2 PHE 17 2.745 -7.557 -7.236 126 HZ PHE 17 HZ PHE 17 1.657 -8.963 -8.961 127 HA PRO 18 HA PRO 18 4.037 -12.621 0.217 128 1HB PRO 18 HB2 PRO 18 3.879 -15.608 -0.455 129 2HB PRO 18 HB1 PRO 18 3.276 -14.759 1.013 130 1HG PRO 18 HG1 PRO 18 1.715 -15.558 -1.212 131 2HG PRO 18 HG2 PRO 18 1.234 -14.247 -0.066 132 1HD PRO 18 HD1 PRO 18 2.027 -13.938 -2.886 133 2HD PRO 18 HD2 PRO 18 1.493 -12.682 -1.691 134 H GLY 19 HN GLY 19 6.195 -11.926 0.167 135 1HA GLY 19 HA2 GLY 19 8.360 -13.458 0.295 136 2HA GLY 19 HA1 GLY 19 8.071 -13.268 -1.503 137 H SER 20 HN SER 20 6.761 -10.904 -1.568 138 HA SER 20 HA SER 20 6.660 -8.796 -0.719 139 1HB SER 20 HB2 SER 20 9.708 -8.602 -0.491 140 2HB SER 20 HB1 SER 20 8.484 -7.319 -0.114 141 HG SER 20 HG SER 20 8.935 -9.815 1.119 142 H SER 21 HN SER 21 9.235 -10.122 -2.851 143 HA SER 21 HA SER 21 10.270 -8.137 -3.899 144 1HB SER 21 HB2 SER 21 9.499 -10.541 -5.624 145 2HB SER 21 HB1 SER 21 11.077 -9.658 -5.564 146 HG SER 21 HG SER 21 11.126 -11.593 -4.361 147 H GLY 22 HN GLY 22 7.177 -9.299 -5.400 148 1HA GLY 22 HA2 GLY 22 7.439 -7.491 -7.577 149 2HA GLY 22 HA1 GLY 22 5.977 -8.402 -7.064 150 H CYS 23 HN CYS 23 5.786 -7.307 -4.376 151 HA CYS 23 HA CYS 23 4.530 -4.814 -5.204 152 1HB CYS 23 HB2 CYS 23 3.391 -6.528 -3.651 153 2HB CYS 23 HB1 CYS 23 4.468 -5.915 -2.355 154 H ASP 24 HN ASP 24 7.292 -6.095 -3.418 155 HA ASP 24 HA ASP 24 8.093 -3.684 -2.256 156 1HB ASP 24 HB2 ASP 24 8.949 -6.094 -1.814 157 2HB ASP 24 HB1 ASP 24 10.015 -5.877 -3.242 158 H THR 25 HN THR 25 8.424 -4.932 -5.583 159 HA THR 25 HA THR 25 10.229 -2.907 -6.436 160 HB THR 25 HB THR 25 8.157 -4.469 -8.033 161 HG1 THR 25 HG1 THR 25 9.681 -5.841 -6.954 162 1HG2 THR 25 HG21 THR 25 9.678 -4.022 -9.984 163 2HG2 THR 25 HG22 THR 25 10.765 -3.041 -8.930 164 3HG2 THR 25 HG23 THR 25 9.089 -2.478 -9.287 165 H LEU 26 HN LEU 26 6.598 -3.223 -6.397 166 HA LEU 26 HA LEU 26 6.066 -0.758 -7.615 167 1HB LEU 26 HB2 LEU 26 4.433 -2.252 -5.469 168 2HB LEU 26 HB1 LEU 26 3.836 -0.854 -6.414 169 HG LEU 26 HG LEU 26 4.700 -3.522 -7.657 170 1HD1 LEU 26 HD11 LEU 26 2.229 -3.944 -7.907 171 2HD1 LEU 26 HD12 LEU 26 1.890 -2.453 -6.953 172 3HD1 LEU 26 HD13 LEU 26 2.724 -3.840 -6.174 173 1HD2 LEU 26 HD21 LEU 26 4.849 -1.587 -9.255 174 2HD2 LEU 26 HD22 LEU 26 3.146 -1.147 -8.882 175 3HD2 LEU 26 HD23 LEU 26 3.521 -2.712 -9.687 176 H CYS 27 HN CYS 27 6.520 -1.712 -4.204 177 HA CYS 27 HA CYS 27 6.077 0.663 -3.002 178 1HB CYS 27 HB2 CYS 27 6.741 -1.675 -2.020 179 2HB CYS 27 HB1 CYS 27 8.438 -1.142 -2.204 180 H LYS 28 HN LYS 28 9.136 -0.379 -4.634 181 HA LYS 28 HA LYS 28 10.627 1.846 -3.807 182 1HB LYS 28 HB2 LYS 28 10.891 0.052 -6.282 183 2HB LYS 28 HB1 LYS 28 12.049 1.375 -5.928 184 1HG LYS 28 HG2 LYS 28 12.668 0.369 -3.786 185 2HG LYS 28 HG1 LYS 28 11.445 -0.931 -3.993 186 1HD LYS 28 HD2 LYS 28 12.619 -1.816 -5.973 187 2HD LYS 28 HD1 LYS 28 13.794 -0.451 -5.938 188 1HE LYS 28 HE2 LYS 28 14.788 -2.560 -4.998 189 2HE LYS 28 HE1 LYS 28 14.711 -1.248 -3.751 190 1HZ LYS 28 HZ1 LYS 28 12.639 -2.259 -2.967 191 2HZ LYS 28 HZ2 LYS 28 13.990 -3.279 -2.822 192 3HZ LYS 28 HZ3 LYS 28 12.853 -3.545 -4.055 193 H GLU 29 HN GLU 29 8.708 1.329 -6.831 194 HA GLU 29 HA GLU 29 9.558 3.852 -7.835 195 1HB GLU 29 HB2 GLU 29 7.912 3.435 -9.695 196 2HB GLU 29 HB1 GLU 29 9.169 2.174 -9.456 197 1HG GLU 29 HG2 GLU 29 7.513 0.747 -8.228 198 2HG GLU 29 HG1 GLU 29 6.248 2.005 -8.459 199 H LYS 30 HN LYS 30 6.895 2.944 -5.722 200 HA LYS 30 HA LYS 30 5.571 5.502 -6.213 201 1HB LYS 30 HB2 LYS 30 4.951 3.182 -4.340 202 2HB LYS 30 HB1 LYS 30 4.260 4.813 -4.041 203 1HG LYS 30 HG2 LYS 30 2.604 3.592 -5.265 204 2HG LYS 30 HG1 LYS 30 3.268 4.908 -6.288 205 1HD LYS 30 HD2 LYS 30 4.725 3.213 -7.459 206 2HD LYS 30 HD1 LYS 30 3.974 1.918 -6.462 207 1HE LYS 30 HE2 LYS 30 1.731 2.466 -7.492 208 2HE LYS 30 HE1 LYS 30 2.524 3.753 -8.496 209 1HZ LYS 30 HZ1 LYS 30 3.231 0.862 -8.541 210 2HZ LYS 30 HZ2 LYS 30 3.877 2.091 -9.517 211 3HZ LYS 30 HZ3 LYS 30 2.241 1.669 -9.660 212 H GLY 31 HN GLY 31 8.078 4.188 -4.134 213 1HA GLY 31 HA2 GLY 31 9.627 5.778 -3.473 214 2HA GLY 31 HA1 GLY 31 8.319 6.936 -3.072 215 H GLY 32 HN GLY 32 8.123 3.470 -2.174 216 1HA GLY 32 HA2 GLY 32 8.508 4.242 0.635 217 2HA GLY 32 HA1 GLY 32 7.800 2.724 -0.048 218 H THR 33 HN THR 33 10.613 3.948 1.482 219 HA THR 33 HA THR 33 12.473 2.739 -0.284 220 HB THR 33 HB THR 33 13.928 3.828 1.648 221 HG1 THR 33 HG1 THR 33 12.795 5.079 2.993 222 1HG2 THR 33 HG21 THR 33 13.468 6.103 0.573 223 2HG2 THR 33 HG22 THR 33 11.999 5.416 -0.211 224 3HG2 THR 33 HG23 THR 33 13.630 4.782 -0.638 225 H SER 34 HN SER 34 10.403 1.384 1.997 226 HA SER 34 HA SER 34 11.932 -0.919 2.068 227 1HB SER 34 HB2 SER 34 11.339 0.470 4.786 228 2HB SER 34 HB1 SER 34 11.805 -1.264 4.592 229 HG SER 34 HG SER 34 13.447 0.611 3.341 230 H GLY 35 HN GLY 35 10.139 -2.621 2.973 231 1HA GLY 35 HA2 GLY 35 7.558 -1.734 3.243 232 2HA GLY 35 HA1 GLY 35 7.983 -2.143 1.509 233 H HIS 36 HN HIS 36 6.306 -4.047 2.473 234 HA HIS 36 HA HIS 36 7.839 -6.362 2.855 235 1HB HIS 36 HB2 HIS 36 6.048 -5.313 5.177 236 2HB HIS 36 HB1 HIS 36 6.687 -6.987 5.075 237 HD1 HIS 36 HD1 HIS 36 9.349 -7.189 5.291 238 HD2 HIS 36 HD2 HIS 36 7.703 -3.511 6.472 239 HE1 HIS 36 HE1 HIS 36 11.052 -6.038 6.782 240 HE2 HIS 36 HE2 HIS 36 10.028 -3.815 7.445 241 H CYS 37 HN CYS 37 5.799 -8.050 3.379 242 HA CYS 37 HA CYS 37 3.395 -7.032 2.022 243 1HB CYS 37 HB2 CYS 37 4.036 -9.889 3.024 244 2HB CYS 37 HB1 CYS 37 2.544 -9.381 2.180 245 H GLY 38 HN GLY 38 1.283 -7.939 3.413 246 1HA GLY 38 HA2 GLY 38 1.800 -8.572 6.040 247 2HA GLY 38 HA1 GLY 38 1.151 -6.865 5.840 248 H PHE 39 HN PHE 39 -0.917 -8.219 6.795 249 HA PHE 39 HA PHE 39 -2.486 -8.803 4.426 250 1HB PHE 39 HB2 PHE 39 -2.015 -10.965 5.944 251 2HB PHE 39 HB1 PHE 39 -2.979 -10.128 7.207 252 HD1 PHE 39 HD1 PHE 39 -5.435 -10.085 6.973 253 HD2 PHE 39 HD2 PHE 39 -2.966 -11.497 3.751 254 HE1 PHE 39 HE1 PHE 39 -7.411 -11.038 5.874 255 HE2 PHE 39 HE2 PHE 39 -4.944 -12.457 2.645 256 HZ PHE 39 HZ PHE 39 -7.173 -12.327 3.755 257 H LYS 40 HN LYS 40 -4.625 -7.669 4.816 258 HA LYS 40 HA LYS 40 -4.611 -6.053 7.272 259 1HB LYS 40 HB2 LYS 40 -4.022 -4.561 5.323 260 2HB LYS 40 HB1 LYS 40 -5.488 -5.131 4.464 261 1HG LYS 40 HG2 LYS 40 -5.800 -2.894 5.490 262 2HG LYS 40 HG1 LYS 40 -6.945 -4.091 6.176 263 1HD LYS 40 HD2 LYS 40 -5.584 -4.253 8.253 264 2HD LYS 40 HD1 LYS 40 -4.294 -3.234 7.519 265 1HE LYS 40 HE2 LYS 40 -5.663 -1.912 9.120 266 2HE LYS 40 HE1 LYS 40 -5.907 -1.281 7.436 267 1HZ LYS 40 HZ1 LYS 40 -7.712 -3.141 8.898 268 2HZ LYS 40 HZ2 LYS 40 -7.939 -2.562 7.317 269 3HZ LYS 40 HZ3 LYS 40 -7.966 -1.480 8.629 270 H VAL 41 HN VAL 41 -6.103 -7.244 8.375 271 HA VAL 41 HA VAL 41 -8.034 -8.780 7.056 272 HB VAL 41 HB VAL 41 -8.295 -7.964 9.984 273 1HG1 VAL 41 HG11 VAL 41 -10.048 -9.414 8.786 274 2HG1 VAL 41 HG12 VAL 41 -9.219 -10.254 10.153 275 3HG1 VAL 41 HG13 VAL 41 -8.752 -10.623 8.453 276 1HG2 VAL 41 HG21 VAL 41 -6.758 -9.833 10.583 277 2HG2 VAL 41 HG22 VAL 41 -5.868 -8.513 9.758 278 3HG2 VAL 41 HG23 VAL 41 -6.285 -10.031 8.867 279 H GLY 42 HN GLY 42 -9.985 -8.082 6.219 280 1HA GLY 42 HA2 GLY 42 -11.923 -6.595 6.826 281 2HA GLY 42 HA1 GLY 42 -10.664 -5.286 6.764 282 H HIS 43 HN HIS 43 -8.972 -6.434 4.742 283 HA HIS 43 HA HIS 43 -10.841 -6.423 2.430 284 1HB HIS 43 HB2 HIS 43 -8.066 -5.115 2.610 285 2HB HIS 43 HB1 HIS 43 -8.907 -5.514 1.079 286 HD1 HIS 43 HD1 HIS 43 -8.953 -2.990 0.499 287 HD2 HIS 43 HD2 HIS 43 -11.230 -3.952 3.887 288 HE1 HIS 43 HE1 HIS 43 -10.394 -0.979 1.022 289 HE2 HIS 43 HE2 HIS 43 -11.773 -1.602 3.052 290 H GLY 44 HN GLY 44 -7.356 -7.292 3.344 291 1HA GLY 44 HA2 GLY 44 -7.455 -9.849 3.169 292 2HA GLY 44 HA1 GLY 44 -7.588 -9.407 1.411 293 H LEU 45 HN LEU 45 -5.588 -9.715 0.584 294 HA LEU 45 HA LEU 45 -3.218 -9.240 2.124 295 1HB LEU 45 HB2 LEU 45 -3.650 -11.208 0.485 296 2HB LEU 45 HB1 LEU 45 -3.638 -10.007 -0.842 297 HG LEU 45 HG LEU 45 -1.232 -9.463 -0.215 298 1HD1 LEU 45 HD11 LEU 45 -1.165 -10.283 2.141 299 2HD1 LEU 45 HD12 LEU 45 0.080 -11.095 1.133 300 3HD1 LEU 45 HD13 LEU 45 -1.426 -11.976 1.570 301 1HD2 LEU 45 HD21 LEU 45 -1.815 -12.408 -0.992 302 2HD2 LEU 45 HD22 LEU 45 -0.263 -11.531 -1.242 303 3HD2 LEU 45 HD23 LEU 45 -1.735 -11.000 -2.117 304 H ALA 46 HN ALA 46 -1.780 -7.294 1.772 305 HA ALA 46 HA ALA 46 -2.386 -5.441 -0.230 306 1HB ALA 46 HB1 ALA 46 -2.933 -3.623 1.552 307 2HB ALA 46 HB2 ALA 46 -3.174 -4.967 2.745 308 3HB ALA 46 HB3 ALA 46 -4.270 -4.819 1.334 309 H CYS 47 HN CYS 47 -0.459 -3.601 0.467 310 HA CYS 47 HA CYS 47 1.604 -5.500 1.545 311 1HB CYS 47 HB2 CYS 47 2.595 -3.321 -0.256 312 2HB CYS 47 HB1 CYS 47 3.216 -4.954 0.045 313 H TRP 48 HN TRP 48 3.722 -3.815 2.063 314 HA TRP 48 HA TRP 48 2.541 -1.605 3.617 315 1HB TRP 48 HB2 TRP 48 3.114 -3.429 5.228 316 2HB TRP 48 HB1 TRP 48 4.725 -3.611 4.468 317 HD1 TRP 48 HD1 TRP 48 6.635 -1.936 5.367 318 HE1 TRP 48 HE1 TRP 48 6.745 -0.240 7.332 319 HE3 TRP 48 HE3 TRP 48 1.677 -1.752 6.450 320 HZ2 TRP 48 HZ2 TRP 48 4.886 1.109 9.005 321 HZ3 TRP 48 HZ3 TRP 48 0.881 -0.247 8.254 322 HH2 TRP 48 HH2 TRP 48 2.468 1.174 9.505 323 H CYS 49 HN CYS 49 3.931 0.273 3.568 324 HA CYS 49 HA CYS 49 6.478 0.027 2.272 325 1HB CYS 49 HB2 CYS 49 4.197 1.872 1.341 326 2HB CYS 49 HB1 CYS 49 5.916 2.330 1.106 327 H ASN 50 HN ASN 50 7.813 1.594 3.385 328 HA ASN 50 HA ASN 50 6.470 2.358 5.893 329 1HB ASN 50 HB2 ASN 50 8.560 0.682 5.634 330 2HB ASN 50 HB1 ASN 50 9.516 2.196 5.626 331 1HD2 ASN 50 HD22 ASN 50 8.745 3.774 7.586 332 2HD2 ASN 50 HD21 ASN 50 8.592 2.964 9.130 333 H ALA 51 HN ALA 51 6.646 4.045 3.216 334 HA ALA 51 HA ALA 51 6.794 6.438 4.444 335 1HB ALA 51 HB1 ALA 51 9.096 5.733 2.471 336 2HB ALA 51 HB2 ALA 51 9.306 6.396 4.136 337 3HB ALA 51 HB3 ALA 51 8.564 7.414 2.850 338 H LEU 52 HN LEU 52 5.636 7.648 2.669 339 HA LEU 52 HA LEU 52 6.081 6.827 0.050 340 1HB LEU 52 HB2 LEU 52 3.192 6.986 1.210 341 2HB LEU 52 HB1 LEU 52 3.558 7.574 -0.431 342 HG LEU 52 HG LEU 52 2.699 5.594 -0.941 343 1HD1 LEU 52 HD11 LEU 52 5.622 4.683 -0.609 344 2HD1 LEU 52 HD12 LEU 52 4.991 5.726 -1.944 345 3HD1 LEU 52 HD13 LEU 52 4.400 4.037 -1.755 346 1HD2 LEU 52 HD21 LEU 52 2.235 4.850 1.283 347 2HD2 LEU 52 HD22 LEU 52 3.902 4.184 1.466 348 3HD2 LEU 52 HD23 LEU 52 2.783 3.502 0.214 349 HA PRO 53 HA PRO 53 5.732 11.266 0.893 350 1HB PRO 53 HB2 PRO 53 5.510 12.365 -1.652 351 2HB PRO 53 HB1 PRO 53 7.053 11.655 -1.040 352 1HG PRO 53 HG1 PRO 53 4.983 10.310 -2.835 353 2HG PRO 53 HG2 PRO 53 6.777 10.372 -3.045 354 1HD PRO 53 HD1 PRO 53 5.448 8.213 -1.857 355 2HD PRO 53 HD2 PRO 53 7.112 8.704 -1.353 356 H ASP 54 HN ASP 54 4.012 12.998 0.675 357 HA ASP 54 HA ASP 54 1.593 11.921 1.328 358 1HB ASP 54 HB2 ASP 54 2.239 14.753 0.379 359 2HB ASP 54 HB1 ASP 54 0.776 14.290 1.343 360 H ASN 55 HN ASN 55 2.652 12.417 -1.931 361 HA ASN 55 HA ASN 55 0.037 13.119 -2.942 362 1HB ASN 55 HB2 ASN 55 1.111 13.016 -5.204 363 2HB ASN 55 HB1 ASN 55 1.991 14.111 -4.087 364 1HD2 ASN 55 HD21 ASN 55 2.360 11.341 -6.182 365 2HD2 ASN 55 HD22 ASN 55 3.965 10.904 -5.690 366 H VAL 56 HN VAL 56 1.307 10.299 -1.723 367 HA VAL 56 HA VAL 56 0.057 8.607 -3.762 368 HB VAL 56 HB VAL 56 1.678 7.623 -1.348 369 1HG1 VAL 56 HG11 VAL 56 0.822 6.368 -4.026 370 2HG1 VAL 56 HG12 VAL 56 0.375 5.871 -2.344 371 3HG1 VAL 56 HG13 VAL 56 2.062 5.675 -2.927 372 1HG2 VAL 56 HG21 VAL 56 3.649 7.561 -2.953 373 2HG2 VAL 56 HG22 VAL 56 3.151 9.210 -2.487 374 3HG2 VAL 56 HG23 VAL 56 2.708 8.581 -4.108 375 H GLY 57 HN GLY 57 -1.712 7.252 -3.002 376 1HA GLY 57 HA2 GLY 57 -2.777 8.032 -0.406 377 2HA GLY 57 HA1 GLY 57 -3.788 7.956 -1.934 378 H ILE 58 HN ILE 58 -3.632 6.194 0.540 379 HA ILE 58 HA ILE 58 -2.734 3.626 -0.605 380 HB ILE 58 HB ILE 58 -1.816 3.200 1.645 381 1HG1 ILE 58 HG12 ILE 58 -1.831 6.267 2.022 382 2HG1 ILE 58 HG11 ILE 58 -3.044 5.209 2.815 383 1HG2 ILE 58 HG21 ILE 58 -0.469 5.539 0.157 384 2HG2 ILE 58 HG22 ILE 58 -0.523 3.853 -0.454 385 3HG2 ILE 58 HG23 ILE 58 0.290 4.211 1.110 386 1HD1 ILE 58 HD11 ILE 58 -1.225 5.633 4.386 387 2HD1 ILE 58 HD12 ILE 58 0.004 5.050 3.210 388 3HD1 ILE 58 HD13 ILE 58 -1.199 3.896 3.902 389 H ILE 59 HN ILE 59 -3.492 3.018 2.388 390 HA ILE 59 HA ILE 59 -6.286 2.506 1.952 391 HB ILE 59 HB ILE 59 -5.015 2.457 4.705 392 1HG1 ILE 59 HG12 ILE 59 -3.455 1.163 3.493 393 2HG1 ILE 59 HG11 ILE 59 -4.508 0.088 4.449 394 1HG2 ILE 59 HG21 ILE 59 -6.811 0.736 5.061 395 2HG2 ILE 59 HG22 ILE 59 -7.320 0.899 3.345 396 3HG2 ILE 59 HG23 ILE 59 -7.515 2.284 4.490 397 1HD1 ILE 59 HD11 ILE 59 -3.882 -0.799 2.126 398 2HD1 ILE 59 HD12 ILE 59 -4.826 0.545 1.420 399 3HD1 ILE 59 HD13 ILE 59 -5.659 -0.707 2.402 400 H VAL 60 HN VAL 60 -7.867 4.144 2.245 401 HA VAL 60 HA VAL 60 -6.958 6.609 3.547 402 HB VAL 60 HB VAL 60 -8.187 6.153 0.798 403 1HG1 VAL 60 HG11 VAL 60 -8.072 8.763 2.441 404 2HG1 VAL 60 HG12 VAL 60 -9.539 7.938 1.753 405 3HG1 VAL 60 HG13 VAL 60 -8.330 8.686 0.655 406 1HG2 VAL 60 HG21 VAL 60 -5.708 7.745 1.770 407 2HG2 VAL 60 HG22 VAL 60 -6.250 7.571 0.059 408 3HG2 VAL 60 HG23 VAL 60 -5.671 6.135 0.974 409 H GLU 61 HN GLU 61 -8.214 6.764 5.247 410 HA GLU 61 HA GLU 61 -9.868 7.063 6.538 411 1HB GLU 61 HB2 GLU 61 -10.960 8.097 4.406 412 2HB GLU 61 HB1 GLU 61 -11.837 6.564 4.274 413 1HG GLU 61 HG2 GLU 61 -13.183 8.446 5.290 414 2HG GLU 61 HG1 GLU 61 -13.043 7.083 6.440 415 H GLY 62 HN GLY 62 -12.168 5.795 7.185 416 1HA GLY 62 HA2 GLY 62 -11.622 2.901 6.979 417 2HA GLY 62 HA1 GLY 62 -12.485 3.775 8.330 418 H GLU 63 HN GLU 63 -12.501 3.140 4.803 419 HA GLU 63 HA GLU 63 -15.377 3.555 4.743 420 1HB GLU 63 HB2 GLU 63 -14.130 5.711 4.091 421 2HB GLU 63 HB1 GLU 63 -13.419 4.852 2.712 422 1HG GLU 63 HG2 GLU 63 -15.791 4.452 1.818 423 2HG GLU 63 HG1 GLU 63 -16.451 5.313 3.255 424 H LYS 64 HN LYS 64 -13.934 3.255 1.597 425 HA LYS 64 HA LYS 64 -13.223 0.571 1.742 426 1HB LYS 64 HB2 LYS 64 -16.064 1.023 1.433 427 2HB LYS 64 HB1 LYS 64 -15.498 0.790 -0.235 428 1HG LYS 64 HG2 LYS 64 -15.021 -1.142 2.137 429 2HG LYS 64 HG1 LYS 64 -16.335 -1.277 0.918 430 1HD LYS 64 HD2 LYS 64 -14.634 -1.525 -0.907 431 2HD LYS 64 HD1 LYS 64 -13.320 -1.519 0.336 432 1HE LYS 64 HE2 LYS 64 -14.280 -3.569 1.392 433 2HE LYS 64 HE1 LYS 64 -15.657 -3.550 0.216 434 1HZ LYS 64 HZ1 LYS 64 -12.780 -3.903 -0.429 435 2HZ LYS 64 HZ2 LYS 64 -14.033 -3.796 -1.566 436 3HZ LYS 64 HZ3 LYS 64 -13.996 -5.086 -0.464 437 H CYS 65 HN CYS 65 -13.312 0.274 -1.018 438 HA CYS 65 HA CYS 65 -11.369 2.123 -1.865 439 1HB CYS 65 HB2 CYS 65 -11.263 -0.151 -2.696 440 2HB CYS 65 HB1 CYS 65 -12.958 -0.095 -3.228 441 H HIS 66 HN HIS 66 -11.612 4.109 -2.790 442 HA HIS 66 HA HIS 66 -14.079 4.721 -4.159 443 1HB HIS 66 HB2 HIS 66 -14.389 6.880 -2.931 444 2HB HIS 66 HB1 HIS 66 -14.671 5.470 -1.873 445 HD1 HIS 66 HD1 HIS 66 -12.433 4.833 -0.338 446 HD2 HIS 66 HD2 HIS 66 -12.768 8.764 -1.757 447 HE1 HIS 66 HE1 HIS 66 -10.951 6.283 1.127 448 HE2 HIS 66 HE2 HIS 66 -11.207 8.655 0.251 449 H SER 67 HN SER 67 -13.561 7.336 -4.905 450 HA SER 67 HA SER 67 -10.942 7.994 -5.350 451 1HB SER 67 HB2 SER 67 -12.623 6.734 -7.668 452 2HB SER 67 HB1 SER 67 -11.154 7.743 -7.932 453 HG SER 67 HG SER 67 -10.973 5.531 -6.196 454 1HN NH2 68 H1 NH2 68 -13.121 10.736 -6.694 455 2HN NH2 68 H2 NH2 68 -11.535 10.089 -6.954 Start of MODEL 9 1 1H VAL 1 HT1 VAL 1 6.980 12.037 6.878 2 2H VAL 1 HT2 VAL 1 5.740 12.767 5.982 3 3H VAL 1 HT3 VAL 1 7.323 12.736 5.361 4 HA VAL 1 HA VAL 1 5.829 11.169 4.325 5 HB VAL 1 HB VAL 1 7.318 9.162 4.467 6 1HG1 VAL 1 HG11 VAL 1 9.417 10.285 3.787 7 2HG1 VAL 1 HG12 VAL 1 8.878 11.834 4.524 8 3HG1 VAL 1 HG13 VAL 1 7.997 11.152 3.104 9 1HG2 VAL 1 HG21 VAL 1 8.605 10.599 6.890 10 2HG2 VAL 1 HG22 VAL 1 9.259 9.144 6.056 11 3HG2 VAL 1 HG23 VAL 1 7.694 9.044 6.926 12 H ARG 2 HN ARG 2 5.061 8.756 4.619 13 HA ARG 2 HA ARG 2 3.926 8.359 7.316 14 1HB ARG 2 HB2 ARG 2 2.694 7.471 4.614 15 2HB ARG 2 HB1 ARG 2 2.090 7.044 6.247 16 1HG ARG 2 HG2 ARG 2 0.631 8.738 5.754 17 2HG ARG 2 HG1 ARG 2 1.909 9.639 6.615 18 1HD ARG 2 HD2 ARG 2 1.993 11.064 4.829 19 2HD ARG 2 HD1 ARG 2 2.769 9.743 3.889 20 HE ARG 2 HE ARG 2 0.547 9.062 3.028 21 1HH1 ARG 2 HH11 ARG 2 0.567 12.228 4.740 22 2HH1 ARG 2 HH12 ARG 2 -0.835 12.807 3.912 23 1HH2 ARG 2 HH21 ARG 2 -1.254 9.938 1.881 24 2HH2 ARG 2 HH22 ARG 2 -1.873 11.505 2.277 25 H ASP 3 HN ASP 3 3.625 5.903 7.754 26 HA ASP 3 HA ASP 3 5.153 4.197 6.010 27 1HB ASP 3 HB2 ASP 3 5.007 3.865 9.104 28 2HB ASP 3 HB1 ASP 3 5.896 2.825 7.940 29 H GLY 4 HN GLY 4 3.482 2.427 5.626 30 1HA GLY 4 HA2 GLY 4 1.395 2.275 7.492 31 2HA GLY 4 HA1 GLY 4 0.915 3.167 5.971 32 H TYR 5 HN TYR 5 -0.440 0.964 6.173 33 HA TYR 5 HA TYR 5 0.761 -1.087 4.535 34 1HB TYR 5 HB2 TYR 5 -2.077 -0.341 5.469 35 2HB TYR 5 HB1 TYR 5 -1.837 -1.596 4.212 36 HD1 TYR 5 HD1 TYR 5 -0.230 -3.535 4.819 37 HD2 TYR 5 HD2 TYR 5 -1.946 -0.905 7.756 38 HE1 TYR 5 HE1 TYR 5 0.125 -5.236 6.555 39 HE2 TYR 5 HE2 TYR 5 -1.634 -2.632 9.489 40 HH TYR 5 HH TYR 5 -0.846 -5.930 8.675 41 H ILE 6 HN ILE 6 0.644 -0.961 2.213 42 HA ILE 6 HA ILE 6 -0.019 1.770 1.346 43 HB ILE 6 HB ILE 6 2.223 1.217 0.785 44 1HG1 ILE 6 HG12 ILE 6 0.452 1.371 -1.726 45 2HG1 ILE 6 HG11 ILE 6 0.837 2.746 -0.639 46 1HG2 ILE 6 HG21 ILE 6 2.729 -0.557 -0.905 47 2HG2 ILE 6 HG22 ILE 6 1.012 -1.093 -0.858 48 3HG2 ILE 6 HG23 ILE 6 2.057 -1.218 0.617 49 1HD1 ILE 6 HD11 ILE 6 3.308 2.400 -1.171 50 2HD1 ILE 6 HD12 ILE 6 2.305 2.835 -2.594 51 3HD1 ILE 6 HD13 ILE 6 2.826 1.130 -2.361 52 H ALA 7 HN ALA 7 -1.455 2.184 -0.040 53 HA ALA 7 HA ALA 7 -3.435 0.194 -0.686 54 1HB ALA 7 HB1 ALA 7 -3.743 3.266 -0.622 55 2HB ALA 7 HB2 ALA 7 -4.264 2.170 0.700 56 3HB ALA 7 HB3 ALA 7 -5.073 2.078 -0.864 57 H GLN 8 HN GLN 8 -4.649 2.260 -2.529 58 HA GLN 8 HA GLN 8 -2.667 2.851 -4.442 59 1HB GLN 8 HB2 GLN 8 -5.488 1.780 -5.192 60 2HB GLN 8 HB1 GLN 8 -4.245 2.370 -6.341 61 1HG GLN 8 HG2 GLN 8 -2.797 0.374 -5.761 62 2HG GLN 8 HG1 GLN 8 -4.060 -0.205 -4.620 63 1HE2 GLN 8 HE22 GLN 8 -6.422 -0.165 -5.758 64 2HE2 GLN 8 HE21 GLN 8 -6.456 -0.967 -7.301 65 HA PRO 9 HA PRO 9 -5.527 6.129 -3.100 66 1HB PRO 9 HB2 PRO 9 -5.114 7.238 -5.955 67 2HB PRO 9 HB1 PRO 9 -5.076 8.172 -4.400 68 1HG PRO 9 HG1 PRO 9 -2.738 7.518 -5.627 69 2HG PRO 9 HG2 PRO 9 -2.891 7.233 -3.841 70 1HD PRO 9 HD1 PRO 9 -3.231 5.165 -6.100 71 2HD PRO 9 HD2 PRO 9 -2.295 5.036 -4.535 72 H GLU 10 HN GLU 10 -8.709 5.838 -4.909 73 HA GLU 10 HA GLU 10 -7.259 7.837 -3.406 74 1HB GLU 10 HB2 GLU 10 -10.269 7.315 -3.775 75 2HB GLU 10 HB1 GLU 10 -9.528 8.802 -3.087 76 1HG GLU 10 HG2 GLU 10 -8.478 9.335 -5.268 77 2HG GLU 10 HG1 GLU 10 -9.091 7.801 -5.995 78 H ASN 11 HN ASN 11 -8.927 4.776 -2.879 79 HA ASN 11 HA ASN 11 -8.608 4.895 -0.044 80 1HB ASN 11 HB2 ASN 11 -10.916 6.069 -0.532 81 2HB ASN 11 HB1 ASN 11 -11.448 4.547 -1.318 82 1HD2 ASN 11 HD21 ASN 11 -11.120 2.455 0.330 83 2HD2 ASN 11 HD22 ASN 11 -10.916 2.806 2.019 84 H CYS 12 HN CYS 12 -7.386 2.804 -0.214 85 HA CYS 12 HA CYS 12 -8.910 0.659 -1.212 86 1HB CYS 12 HB2 CYS 12 -7.259 2.113 -3.119 87 2HB CYS 12 HB1 CYS 12 -6.448 0.574 -2.873 88 H VAL 13 HN VAL 13 -6.822 -1.161 -1.691 89 HA VAL 13 HA VAL 13 -4.858 -0.824 0.324 90 HB VAL 13 HB VAL 13 -4.790 -3.425 0.427 91 1HG1 VAL 13 HG11 VAL 13 -5.148 -2.132 2.424 92 2HG1 VAL 13 HG12 VAL 13 -6.302 -3.491 2.417 93 3HG1 VAL 13 HG13 VAL 13 -6.872 -1.814 2.007 94 1HG2 VAL 13 HG21 VAL 13 -6.903 -4.608 0.247 95 2HG2 VAL 13 HG22 VAL 13 -6.510 -3.850 -1.323 96 3HG2 VAL 13 HG23 VAL 13 -7.779 -3.110 -0.258 97 H TYR 14 HN TYR 14 -2.940 -2.138 -0.745 98 HA TYR 14 HA TYR 14 -3.389 -2.439 -3.592 99 1HB TYR 14 HB2 TYR 14 -1.010 -1.882 -2.013 100 2HB TYR 14 HB1 TYR 14 -0.746 -3.475 -2.699 101 HD1 TYR 14 HD1 TYR 14 -2.158 -3.346 -5.360 102 HD2 TYR 14 HD2 TYR 14 0.365 -0.472 -3.363 103 HE1 TYR 14 HE1 TYR 14 -1.618 -2.352 -7.505 104 HE2 TYR 14 HE2 TYR 14 0.948 0.500 -5.541 105 HH TYR 14 HH TYR 14 -0.663 -0.587 -8.560 106 H HIS 15 HN HIS 15 -1.635 -4.903 -3.823 107 HA HIS 15 HA HIS 15 -2.974 -6.802 -2.213 108 1HB HIS 15 HB2 HIS 15 -3.041 -6.882 -5.314 109 2HB HIS 15 HB1 HIS 15 -3.178 -8.342 -4.278 110 HD1 HIS 15 HD1 HIS 15 -5.111 -5.172 -5.099 111 HD2 HIS 15 HD2 HIS 15 -5.628 -8.749 -2.957 112 HE1 HIS 15 HE1 HIS 15 -7.532 -5.272 -4.360 113 HE2 HIS 15 HE2 HIS 15 -7.796 -7.427 -3.063 114 H CYS 16 HN CYS 16 -1.377 -8.841 -2.876 115 HA CYS 16 HA CYS 16 1.291 -7.749 -3.043 116 1HB CYS 16 HB2 CYS 16 0.829 -7.773 -0.574 117 2HB CYS 16 HB1 CYS 16 -0.124 -9.271 -0.735 118 H PHE 17 HN PHE 17 2.653 -9.752 -3.659 119 HA PHE 17 HA PHE 17 1.041 -12.063 -4.358 120 1HB PHE 17 HB2 PHE 17 3.849 -11.365 -5.468 121 2HB PHE 17 HB1 PHE 17 2.667 -12.567 -6.075 122 HD1 PHE 17 HD1 PHE 17 4.334 -10.159 -7.346 123 HD2 PHE 17 HD2 PHE 17 0.182 -10.662 -6.299 124 HE1 PHE 17 HE1 PHE 17 3.693 -8.501 -9.060 125 HE2 PHE 17 HE2 PHE 17 -0.441 -9.028 -8.029 126 HZ PHE 17 HZ PHE 17 1.305 -7.942 -9.412 127 HA PRO 18 HA PRO 18 3.534 -12.243 -0.602 128 1HB PRO 18 HB2 PRO 18 2.846 -15.227 -0.821 129 2HB PRO 18 HB1 PRO 18 3.010 -14.241 0.690 130 1HG PRO 18 HG1 PRO 18 0.533 -14.647 -0.390 131 2HG PRO 18 HG2 PRO 18 0.992 -12.981 0.157 132 1HD PRO 18 HD1 PRO 18 0.838 -14.046 -2.690 133 2HD PRO 18 HD2 PRO 18 0.530 -12.379 -2.040 134 H GLY 19 HN GLY 19 5.685 -11.725 -1.230 135 1HA GLY 19 HA2 GLY 19 7.617 -13.566 -0.946 136 2HA GLY 19 HA1 GLY 19 7.316 -13.242 -2.739 137 H SER 20 HN SER 20 9.615 -11.835 -2.139 138 HA SER 20 HA SER 20 9.036 -9.397 -0.825 139 1HB SER 20 HB2 SER 20 11.513 -9.136 -2.011 140 2HB SER 20 HB1 SER 20 11.247 -10.094 -0.507 141 HG SER 20 HG SER 20 12.381 -11.293 -2.075 142 H SER 21 HN SER 21 9.274 -10.713 -4.147 143 HA SER 21 HA SER 21 10.020 -8.758 -5.580 144 1HB SER 21 HB2 SER 21 7.767 -10.573 -6.594 145 2HB SER 21 HB1 SER 21 9.295 -10.075 -7.421 146 HG SER 21 HG SER 21 9.441 -12.195 -6.632 147 H GLY 22 HN GLY 22 6.473 -9.324 -5.133 148 1HA GLY 22 HA2 GLY 22 5.865 -7.335 -7.018 149 2HA GLY 22 HA1 GLY 22 4.736 -8.129 -5.856 150 H CYS 23 HN CYS 23 5.501 -7.367 -3.432 151 HA CYS 23 HA CYS 23 4.341 -4.825 -3.340 152 1HB CYS 23 HB2 CYS 23 5.913 -6.372 -1.183 153 2HB CYS 23 HB1 CYS 23 5.065 -4.826 -0.866 154 H ASP 24 HN ASP 24 7.756 -5.897 -2.841 155 HA ASP 24 HA ASP 24 8.582 -3.409 -1.931 156 1HB ASP 24 HB2 ASP 24 9.781 -5.668 -1.635 157 2HB ASP 24 HB1 ASP 24 10.373 -5.499 -3.319 158 H THR 25 HN THR 25 8.516 -4.862 -5.226 159 HA THR 25 HA THR 25 9.866 -2.738 -6.464 160 HB THR 25 HB THR 25 7.726 -4.529 -7.679 161 HG1 THR 25 HG1 THR 25 9.163 -5.933 -6.944 162 1HG2 THR 25 HG21 THR 25 8.419 -2.617 -9.168 163 2HG2 THR 25 HG22 THR 25 9.103 -4.152 -9.799 164 3HG2 THR 25 HG23 THR 25 10.155 -3.005 -8.891 165 H LEU 26 HN LEU 26 6.307 -3.315 -5.886 166 HA LEU 26 HA LEU 26 5.471 -1.029 -7.288 167 1HB LEU 26 HB2 LEU 26 4.208 -2.576 -4.965 168 2HB LEU 26 HB1 LEU 26 3.362 -1.233 -5.797 169 HG LEU 26 HG LEU 26 4.438 -3.683 -7.302 170 1HD1 LEU 26 HD11 LEU 26 2.873 -4.498 -5.577 171 2HD1 LEU 26 HD12 LEU 26 2.129 -4.614 -7.214 172 3HD1 LEU 26 HD13 LEU 26 1.630 -3.292 -6.085 173 1HD2 LEU 26 HD21 LEU 26 2.769 -2.993 -9.038 174 2HD2 LEU 26 HD22 LEU 26 3.985 -1.705 -8.735 175 3HD2 LEU 26 HD23 LEU 26 2.331 -1.550 -8.046 176 H CYS 27 HN CYS 27 6.365 -1.625 -3.917 177 HA CYS 27 HA CYS 27 5.845 0.874 -2.883 178 1HB CYS 27 HB2 CYS 27 6.633 -1.314 -1.673 179 2HB CYS 27 HB1 CYS 27 8.299 -0.789 -2.046 180 H LYS 28 HN LYS 28 8.890 -0.343 -4.450 181 HA LYS 28 HA LYS 28 10.250 2.081 -3.966 182 1HB LYS 28 HB2 LYS 28 10.820 -0.194 -5.928 183 2HB LYS 28 HB1 LYS 28 11.918 1.217 -5.694 184 1HG LYS 28 HG2 LYS 28 12.172 0.728 -3.299 185 2HG LYS 28 HG1 LYS 28 11.092 -0.687 -3.411 186 1HD LYS 28 HD2 LYS 28 13.764 -0.396 -4.926 187 2HD LYS 28 HD1 LYS 28 13.531 -1.228 -3.349 188 1HE LYS 28 HE2 LYS 28 11.880 -2.817 -4.453 189 2HE LYS 28 HE1 LYS 28 12.271 -2.077 -6.054 190 1HZ LYS 28 HZ1 LYS 28 13.530 -4.075 -5.574 191 2HZ LYS 28 HZ2 LYS 28 14.216 -3.350 -4.199 192 3HZ LYS 28 HZ3 LYS 28 14.549 -2.726 -5.746 193 H GLU 29 HN GLU 29 8.300 0.969 -6.798 194 HA GLU 29 HA GLU 29 9.154 3.225 -8.326 195 1HB GLU 29 HB2 GLU 29 7.559 2.610 -10.026 196 2HB GLU 29 HB1 GLU 29 8.453 1.164 -9.448 197 1HG GLU 29 HG2 GLU 29 6.432 0.681 -7.924 198 2HG GLU 29 HG1 GLU 29 5.539 1.979 -8.788 199 H LYS 30 HN LYS 30 6.428 2.677 -6.055 200 HA LYS 30 HA LYS 30 5.141 5.140 -6.806 201 1HB LYS 30 HB2 LYS 30 4.858 3.336 -4.333 202 2HB LYS 30 HB1 LYS 30 3.920 4.854 -4.546 203 1HG LYS 30 HG2 LYS 30 3.785 2.459 -6.471 204 2HG LYS 30 HG1 LYS 30 2.637 2.805 -5.137 205 1HD LYS 30 HD2 LYS 30 2.174 5.090 -6.251 206 2HD LYS 30 HD1 LYS 30 3.175 4.533 -7.633 207 1HE LYS 30 HE2 LYS 30 0.805 4.204 -8.175 208 2HE LYS 30 HE1 LYS 30 1.574 2.578 -7.970 209 1HZ LYS 30 HZ1 LYS 30 0.643 2.442 -5.792 210 2HZ LYS 30 HZ2 LYS 30 -0.589 2.803 -6.897 211 3HZ LYS 30 HZ3 LYS 30 0.027 4.020 -5.882 212 H GLY 31 HN GLY 31 7.538 4.077 -4.386 213 1HA GLY 31 HA2 GLY 31 9.314 5.518 -4.093 214 2HA GLY 31 HA1 GLY 31 8.204 6.944 -4.075 215 H GLY 32 HN GLY 32 7.908 3.728 -2.475 216 1HA GLY 32 HA2 GLY 32 8.334 5.018 0.129 217 2HA GLY 32 HA1 GLY 32 7.630 3.379 -0.216 218 H THR 33 HN THR 33 10.039 3.716 1.407 219 HA THR 33 HA THR 33 12.253 3.651 -0.491 220 HB THR 33 HB THR 33 12.179 3.418 2.560 221 HG1 THR 33 HG1 THR 33 11.415 5.352 1.358 222 1HG2 THR 33 HG21 THR 33 14.522 3.953 0.588 223 2HG2 THR 33 HG22 THR 33 14.325 2.496 1.631 224 3HG2 THR 33 HG23 THR 33 14.615 4.103 2.382 225 H SER 34 HN SER 34 10.362 1.370 1.630 226 HA SER 34 HA SER 34 11.138 -0.722 -0.004 227 1HB SER 34 HB2 SER 34 12.312 -0.627 2.869 228 2HB SER 34 HB1 SER 34 12.090 -2.169 1.952 229 HG SER 34 HG SER 34 13.363 -0.076 0.617 230 H GLY 35 HN GLY 35 9.821 -2.739 1.107 231 1HA GLY 35 HA2 GLY 35 7.813 -2.103 2.859 232 2HA GLY 35 HA1 GLY 35 7.312 -1.914 1.099 233 H HIS 36 HN HIS 36 6.107 -4.173 2.045 234 HA HIS 36 HA HIS 36 7.454 -6.347 0.985 235 1HB HIS 36 HB2 HIS 36 7.678 -7.684 3.180 236 2HB HIS 36 HB1 HIS 36 8.907 -6.408 2.960 237 HD1 HIS 36 HD1 HIS 36 5.622 -6.875 4.897 238 HD2 HIS 36 HD2 HIS 36 9.175 -4.635 5.005 239 HE1 HIS 36 HE1 HIS 36 5.634 -5.588 7.072 240 HE2 HIS 36 HE2 HIS 36 7.786 -4.255 7.107 241 H CYS 37 HN CYS 37 5.937 -8.331 2.217 242 HA CYS 37 HA CYS 37 3.292 -7.472 1.497 243 1HB CYS 37 HB2 CYS 37 4.477 -9.772 0.970 244 2HB CYS 37 HB1 CYS 37 4.138 -10.193 2.669 245 H GLY 38 HN GLY 38 1.384 -7.490 3.041 246 1HA GLY 38 HA2 GLY 38 1.816 -8.333 5.641 247 2HA GLY 38 HA1 GLY 38 1.820 -6.505 5.456 248 H PHE 39 HN PHE 39 -0.454 -7.695 6.689 249 HA PHE 39 HA PHE 39 -2.385 -6.590 5.188 250 1HB PHE 39 HB2 PHE 39 -2.542 -8.822 3.953 251 2HB PHE 39 HB1 PHE 39 -2.600 -9.678 5.530 252 HD1 PHE 39 HD1 PHE 39 -4.672 -10.600 5.758 253 HD2 PHE 39 HD2 PHE 39 -4.506 -6.540 4.312 254 HE1 PHE 39 HE1 PHE 39 -7.131 -10.420 5.936 255 HE2 PHE 39 HE2 PHE 39 -6.966 -6.427 4.420 256 HZ PHE 39 HZ PHE 39 -8.277 -8.342 5.248 257 H LYS 40 HN LYS 40 -4.314 -7.748 6.891 258 HA LYS 40 HA LYS 40 -5.015 -7.989 8.993 259 1HB LYS 40 HB2 LYS 40 -2.651 -8.173 10.078 260 2HB LYS 40 HB1 LYS 40 -2.664 -6.386 10.124 261 1HG LYS 40 HG2 LYS 40 -3.417 -6.946 12.270 262 2HG LYS 40 HG1 LYS 40 -4.936 -6.598 11.393 263 1HD LYS 40 HD2 LYS 40 -5.397 -8.567 12.654 264 2HD LYS 40 HD1 LYS 40 -5.139 -9.167 10.984 265 1HE LYS 40 HE2 LYS 40 -4.004 -10.664 12.596 266 2HE LYS 40 HE1 LYS 40 -2.736 -9.797 11.645 267 1HZ LYS 40 HZ1 LYS 40 -2.191 -9.822 13.945 268 2HZ LYS 40 HZ2 LYS 40 -3.685 -9.144 14.385 269 3HZ LYS 40 HZ3 LYS 40 -2.567 -8.226 13.499 270 H VAL 41 HN VAL 41 -6.247 -6.618 7.274 271 HA VAL 41 HA VAL 41 -6.307 -3.878 8.025 272 HB VAL 41 HB VAL 41 -5.954 -4.788 5.095 273 1HG1 VAL 41 HG11 VAL 41 -7.274 -2.751 5.238 274 2HG1 VAL 41 HG12 VAL 41 -5.612 -2.354 4.670 275 3HG1 VAL 41 HG13 VAL 41 -6.073 -2.001 6.381 276 1HG2 VAL 41 HG21 VAL 41 -3.798 -5.133 6.194 277 2HG2 VAL 41 HG22 VAL 41 -3.895 -3.536 7.007 278 3HG2 VAL 41 HG23 VAL 41 -3.699 -3.639 5.209 279 H GLY 42 HN GLY 42 -8.537 -3.132 6.881 280 1HA GLY 42 HA2 GLY 42 -10.345 -5.456 6.928 281 2HA GLY 42 HA1 GLY 42 -10.724 -3.724 7.314 282 H HIS 43 HN HIS 43 -9.761 -6.011 4.696 283 HA HIS 43 HA HIS 43 -11.220 -4.932 2.705 284 1HB HIS 43 HB2 HIS 43 -8.174 -4.326 2.607 285 2HB HIS 43 HB1 HIS 43 -9.221 -4.375 1.149 286 HD1 HIS 43 HD1 HIS 43 -10.152 -2.269 0.372 287 HD2 HIS 43 HD2 HIS 43 -8.663 -1.924 4.280 288 HE1 HIS 43 HE1 HIS 43 -9.933 0.196 0.879 289 HE2 HIS 43 HE2 HIS 43 -9.074 0.364 3.257 290 H GLY 44 HN GLY 44 -8.704 -6.188 1.008 291 1HA GLY 44 HA2 GLY 44 -8.345 -8.615 2.528 292 2HA GLY 44 HA1 GLY 44 -9.021 -8.669 0.832 293 H LEU 45 HN LEU 45 -6.153 -8.552 2.656 294 HA LEU 45 HA LEU 45 -4.108 -8.607 2.097 295 1HB LEU 45 HB2 LEU 45 -5.142 -9.505 -0.168 296 2HB LEU 45 HB1 LEU 45 -4.564 -7.961 -0.841 297 HG LEU 45 HG LEU 45 -2.234 -8.605 -0.382 298 1HD1 LEU 45 HD11 LEU 45 -3.319 -11.157 0.991 299 2HD1 LEU 45 HD12 LEU 45 -2.370 -9.836 1.785 300 3HD1 LEU 45 HD13 LEU 45 -1.609 -10.866 0.535 301 1HD2 LEU 45 HD21 LEU 45 -2.108 -10.660 -1.834 302 2HD2 LEU 45 HD22 LEU 45 -3.358 -9.510 -2.451 303 3HD2 LEU 45 HD23 LEU 45 -3.851 -10.979 -1.549 304 H ALA 46 HN ALA 46 -2.177 -6.879 1.034 305 HA ALA 46 HA ALA 46 -2.958 -4.438 0.292 306 1HB ALA 46 HB1 ALA 46 -3.675 -3.931 2.690 307 2HB ALA 46 HB2 ALA 46 -2.201 -3.025 2.244 308 3HB ALA 46 HB3 ALA 46 -2.075 -4.519 3.267 309 H CYS 47 HN CYS 47 -0.450 -3.189 0.932 310 HA CYS 47 HA CYS 47 1.407 -5.433 1.293 311 1HB CYS 47 HB2 CYS 47 1.817 -3.098 -0.667 312 2HB CYS 47 HB1 CYS 47 3.189 -3.978 0.060 313 H TRP 48 HN TRP 48 3.513 -4.110 2.220 314 HA TRP 48 HA TRP 48 2.486 -1.888 3.877 315 1HB TRP 48 HB2 TRP 48 3.063 -3.840 5.305 316 2HB TRP 48 HB1 TRP 48 4.636 -4.004 4.450 317 HD1 TRP 48 HD1 TRP 48 6.606 -2.337 5.190 318 HE1 TRP 48 HE1 TRP 48 6.919 -0.610 7.042 319 HE3 TRP 48 HE3 TRP 48 1.819 -2.332 6.928 320 HZ2 TRP 48 HZ2 TRP 48 5.270 0.549 9.120 321 HZ3 TRP 48 HZ3 TRP 48 1.239 -0.919 8.872 322 HH2 TRP 48 HH2 TRP 48 2.940 0.509 9.947 323 H CYS 49 HN CYS 49 4.035 -0.036 4.053 324 HA CYS 49 HA CYS 49 6.452 -0.242 2.488 325 1HB CYS 49 HB2 CYS 49 4.223 1.784 1.928 326 2HB CYS 49 HB1 CYS 49 5.939 2.223 1.657 327 H ASN 50 HN ASN 50 8.046 1.243 3.233 328 HA ASN 50 HA ASN 50 7.227 2.886 5.546 329 1HB ASN 50 HB2 ASN 50 9.788 1.294 5.004 330 2HB ASN 50 HB1 ASN 50 9.935 2.864 5.854 331 1HD2 ASN 50 HD21 ASN 50 9.319 3.054 8.034 332 2HD2 ASN 50 HD22 ASN 50 8.800 1.698 8.974 333 H ALA 51 HN ALA 51 7.609 5.026 5.337 334 HA ALA 51 HA ALA 51 8.366 6.914 4.787 335 1HB ALA 51 HB1 ALA 51 10.594 7.260 3.689 336 2HB ALA 51 HB2 ALA 51 10.690 5.480 3.434 337 3HB ALA 51 HB3 ALA 51 10.650 6.142 5.102 338 H LEU 52 HN LEU 52 6.263 6.618 3.590 339 HA LEU 52 HA LEU 52 6.633 6.929 0.690 340 1HB LEU 52 HB2 LEU 52 4.152 6.502 2.456 341 2HB LEU 52 HB1 LEU 52 4.003 7.084 0.767 342 HG LEU 52 HG LEU 52 5.426 4.473 1.518 343 1HD1 LEU 52 HD11 LEU 52 2.499 4.894 0.616 344 2HD1 LEU 52 HD12 LEU 52 3.056 4.296 2.232 345 3HD1 LEU 52 HD13 LEU 52 3.333 3.304 0.753 346 1HD2 LEU 52 HD21 LEU 52 5.289 3.886 -0.826 347 2HD2 LEU 52 HD22 LEU 52 5.889 5.583 -0.795 348 3HD2 LEU 52 HD23 LEU 52 4.186 5.249 -1.202 349 HA PRO 53 HA PRO 53 6.158 11.221 2.011 350 1HB PRO 53 HB2 PRO 53 6.191 12.514 -0.479 351 2HB PRO 53 HB1 PRO 53 7.660 11.759 0.244 352 1HG PRO 53 HG1 PRO 53 5.760 10.537 -1.825 353 2HG PRO 53 HG2 PRO 53 7.566 10.618 -1.869 354 1HD PRO 53 HD1 PRO 53 6.142 8.390 -0.967 355 2HD PRO 53 HD2 PRO 53 7.742 8.847 -0.257 356 H ASP 54 HN ASP 54 4.693 13.146 1.381 357 HA ASP 54 HA ASP 54 2.081 12.277 1.788 358 1HB ASP 54 HB2 ASP 54 3.118 15.065 1.029 359 2HB ASP 54 HB1 ASP 54 1.515 14.713 1.799 360 H ASN 55 HN ASN 55 3.569 12.396 -1.273 361 HA ASN 55 HA ASN 55 1.151 13.359 -2.613 362 1HB ASN 55 HB2 ASN 55 2.307 12.992 -4.759 363 2HB ASN 55 HB1 ASN 55 3.251 14.058 -3.669 364 1HD2 ASN 55 HD22 ASN 55 3.156 10.810 -5.208 365 2HD2 ASN 55 HD21 ASN 55 4.829 10.453 -4.923 366 H VAL 56 HN VAL 56 1.977 10.594 -1.051 367 HA VAL 56 HA VAL 56 0.684 8.829 -3.012 368 HB VAL 56 HB VAL 56 2.001 7.882 -0.413 369 1HG1 VAL 56 HG11 VAL 56 2.339 5.817 -1.822 370 2HG1 VAL 56 HG12 VAL 56 1.511 6.616 -3.199 371 3HG1 VAL 56 HG13 VAL 56 0.612 6.238 -1.680 372 1HG2 VAL 56 HG21 VAL 56 3.747 9.295 -1.455 373 2HG2 VAL 56 HG22 VAL 56 3.453 8.561 -3.057 374 3HG2 VAL 56 HG23 VAL 56 4.141 7.584 -1.705 375 H GLY 57 HN GLY 57 -0.995 7.258 -1.575 376 1HA GLY 57 HA2 GLY 57 -1.896 8.573 0.758 377 2HA GLY 57 HA1 GLY 57 -3.089 8.427 -0.648 378 H ILE 58 HN ILE 58 -3.131 6.795 1.853 379 HA ILE 58 HA ILE 58 -2.289 4.177 0.858 380 HB ILE 58 HB ILE 58 -1.436 3.706 3.167 381 1HG1 ILE 58 HG12 ILE 58 -1.519 6.779 3.524 382 2HG1 ILE 58 HG11 ILE 58 -2.632 5.632 4.343 383 1HG2 ILE 58 HG21 ILE 58 -0.011 4.278 1.137 384 2HG2 ILE 58 HG22 ILE 58 0.759 4.673 2.709 385 3HG2 ILE 58 HG23 ILE 58 0.045 5.984 1.706 386 1HD1 ILE 58 HD11 ILE 58 0.446 5.646 4.634 387 2HD1 ILE 58 HD12 ILE 58 -0.703 4.496 5.428 388 3HD1 ILE 58 HD13 ILE 58 -0.749 6.256 5.833 389 H ILE 59 HN ILE 59 -3.190 3.192 3.607 390 HA ILE 59 HA ILE 59 -5.736 2.646 2.613 391 HB ILE 59 HB ILE 59 -4.957 2.196 5.532 392 1HG1 ILE 59 HG12 ILE 59 -3.109 1.275 4.392 393 2HG1 ILE 59 HG11 ILE 59 -4.205 -0.044 4.910 394 1HG2 ILE 59 HG21 ILE 59 -7.336 1.772 5.052 395 2HG2 ILE 59 HG22 ILE 59 -6.503 0.189 5.180 396 3HG2 ILE 59 HG23 ILE 59 -6.929 0.847 3.558 397 1HD1 ILE 59 HD11 ILE 59 -3.548 -0.726 2.739 398 2HD1 ILE 59 HD12 ILE 59 -3.581 0.933 2.091 399 3HD1 ILE 59 HD13 ILE 59 -5.136 0.075 2.418 400 H VAL 60 HN VAL 60 -7.765 3.412 3.114 401 HA VAL 60 HA VAL 60 -8.213 5.128 5.299 402 HB VAL 60 HB VAL 60 -9.460 5.743 2.548 403 1HG1 VAL 60 HG11 VAL 60 -10.631 6.571 4.598 404 2HG1 VAL 60 HG12 VAL 60 -9.975 7.942 3.641 405 3HG1 VAL 60 HG13 VAL 60 -9.125 7.415 5.136 406 1HG2 VAL 60 HG21 VAL 60 -6.881 7.048 3.599 407 2HG2 VAL 60 HG22 VAL 60 -7.901 7.680 2.245 408 3HG2 VAL 60 HG23 VAL 60 -7.094 6.091 2.081 409 H GLU 61 HN GLU 61 -10.816 4.509 5.520 410 HA GLU 61 HA GLU 61 -11.676 2.590 3.708 411 1HB GLU 61 HB2 GLU 61 -10.449 1.014 5.287 412 2HB GLU 61 HB1 GLU 61 -11.257 1.817 6.674 413 1HG GLU 61 HG2 GLU 61 -12.244 -0.376 6.214 414 2HG GLU 61 HG1 GLU 61 -13.461 0.917 5.953 415 H GLY 62 HN GLY 62 -14.076 2.463 4.347 416 1HA GLY 62 HA2 GLY 62 -15.570 4.060 5.710 417 2HA GLY 62 HA1 GLY 62 -14.655 5.261 4.676 418 H GLU 63 HN GLU 63 -14.071 3.634 2.492 419 HA GLU 63 HA GLU 63 -16.743 2.980 1.443 420 1HB GLU 63 HB2 GLU 63 -15.398 4.712 0.212 421 2HB GLU 63 HB1 GLU 63 -14.190 3.458 -0.192 422 1HG GLU 63 HG2 GLU 63 -16.098 2.127 -1.323 423 2HG GLU 63 HG1 GLU 63 -17.209 3.489 -0.926 424 H LYS 64 HN LYS 64 -13.650 1.647 0.134 425 HA LYS 64 HA LYS 64 -13.788 -0.851 1.249 426 1HB LYS 64 HB2 LYS 64 -16.014 -0.738 -0.301 427 2HB LYS 64 HB1 LYS 64 -14.870 -0.611 -1.664 428 1HG LYS 64 HG2 LYS 64 -13.896 -2.914 -0.576 429 2HG LYS 64 HG1 LYS 64 -15.507 -2.963 0.188 430 1HD LYS 64 HD2 LYS 64 -14.854 -2.780 -2.834 431 2HD LYS 64 HD1 LYS 64 -15.413 -4.246 -1.967 432 1HE LYS 64 HE2 LYS 64 -17.075 -1.657 -2.393 433 2HE LYS 64 HE1 LYS 64 -17.258 -3.217 -3.284 434 1HZ LYS 64 HZ1 LYS 64 -17.657 -2.793 -0.371 435 2HZ LYS 64 HZ2 LYS 64 -17.793 -4.280 -1.182 436 3HZ LYS 64 HZ3 LYS 64 -18.861 -3.011 -1.549 437 H CYS 65 HN CYS 65 -12.583 -1.864 -1.293 438 HA CYS 65 HA CYS 65 -10.584 0.153 -1.837 439 1HB CYS 65 HB2 CYS 65 -10.084 -2.394 -1.696 440 2HB CYS 65 HB1 CYS 65 -11.011 -2.561 -3.203 441 H HIS 66 HN HIS 66 -11.013 1.722 -3.288 442 HA HIS 66 HA HIS 66 -13.634 1.732 -4.284 443 1HB HIS 66 HB2 HIS 66 -13.332 3.989 -4.862 444 2HB HIS 66 HB1 HIS 66 -12.236 3.778 -3.462 445 HD1 HIS 66 HD1 HIS 66 -9.676 2.806 -4.761 446 HD2 HIS 66 HD2 HIS 66 -12.178 5.537 -6.736 447 HE1 HIS 66 HE1 HIS 66 -8.302 3.911 -6.577 448 HE2 HIS 66 HE2 HIS 66 -9.856 5.529 -7.759 449 H SER 67 HN SER 67 -14.007 2.707 -6.702 450 HA SER 67 HA SER 67 -12.257 2.126 -8.667 451 1HB SER 67 HB2 SER 67 -14.661 0.151 -8.307 452 2HB SER 67 HB1 SER 67 -13.809 0.395 -9.879 453 HG SER 67 HG SER 67 -12.311 -0.215 -7.582 454 1HN NH2 68 H1 NH2 68 -15.298 3.776 -10.180 455 2HN NH2 68 H2 NH2 68 -14.144 2.578 -10.677 Start of MODEL 10 1 1H VAL 1 HT1 VAL 1 6.394 12.589 6.491 2 2H VAL 1 HT2 VAL 1 7.891 12.521 5.682 3 3H VAL 1 HT3 VAL 1 7.675 11.701 7.158 4 HA VAL 1 HA VAL 1 6.297 11.129 4.630 5 HB VAL 1 HB VAL 1 7.513 8.906 4.751 6 1HG1 VAL 1 HG11 VAL 1 9.256 11.454 4.540 7 2HG1 VAL 1 HG12 VAL 1 8.245 10.721 3.235 8 3HG1 VAL 1 HG13 VAL 1 9.665 9.828 3.883 9 1HG2 VAL 1 HG21 VAL 1 9.515 8.710 6.205 10 2HG2 VAL 1 HG22 VAL 1 8.044 8.913 7.214 11 3HG2 VAL 1 HG23 VAL 1 9.170 10.297 6.968 12 H ARG 2 HN ARG 2 5.183 8.898 4.735 13 HA ARG 2 HA ARG 2 4.091 8.417 7.440 14 1HB ARG 2 HB2 ARG 2 2.097 7.358 6.411 15 2HB ARG 2 HB1 ARG 2 2.189 9.097 6.036 16 1HG ARG 2 HG2 ARG 2 3.481 7.352 3.982 17 2HG ARG 2 HG1 ARG 2 1.746 6.994 4.203 18 1HD ARG 2 HD2 ARG 2 2.722 9.892 3.708 19 2HD ARG 2 HD1 ARG 2 2.502 8.703 2.375 20 HE ARG 2 HE ARG 2 0.190 8.750 2.592 21 1HH1 ARG 2 HH11 ARG 2 1.647 10.792 5.154 22 2HH1 ARG 2 HH12 ARG 2 0.153 11.579 5.538 23 1HH2 ARG 2 HH21 ARG 2 -1.781 9.781 3.156 24 2HH2 ARG 2 HH22 ARG 2 -1.820 10.997 4.387 25 H ASP 3 HN ASP 3 3.431 5.912 7.549 26 HA ASP 3 HA ASP 3 5.040 4.287 5.818 27 1HB ASP 3 HB2 ASP 3 4.590 3.723 8.850 28 2HB ASP 3 HB1 ASP 3 5.447 2.662 7.672 29 H GLY 4 HN GLY 4 3.366 2.454 5.340 30 1HA GLY 4 HA2 GLY 4 0.977 2.615 6.846 31 2HA GLY 4 HA1 GLY 4 0.867 3.379 5.192 32 H TYR 5 HN TYR 5 -0.693 1.220 5.515 33 HA TYR 5 HA TYR 5 0.613 -0.978 4.136 34 1HB TYR 5 HB2 TYR 5 -2.282 -0.206 4.851 35 2HB TYR 5 HB1 TYR 5 -1.930 -1.596 3.771 36 HD1 TYR 5 HD1 TYR 5 -2.307 -0.446 7.162 37 HD2 TYR 5 HD2 TYR 5 -0.333 -3.390 4.728 38 HE1 TYR 5 HE1 TYR 5 -2.153 -1.942 9.110 39 HE2 TYR 5 HE2 TYR 5 -0.125 -4.864 6.708 40 HH TYR 5 HH TYR 5 -1.714 -5.237 8.660 41 H ILE 6 HN ILE 6 0.610 -0.869 1.748 42 HA ILE 6 HA ILE 6 -0.260 1.790 0.847 43 HB ILE 6 HB ILE 6 2.056 1.410 0.403 44 1HG1 ILE 6 HG12 ILE 6 0.263 1.687 -2.089 45 2HG1 ILE 6 HG11 ILE 6 0.702 2.988 -0.935 46 1HG2 ILE 6 HG21 ILE 6 2.012 -1.033 0.063 47 2HG2 ILE 6 HG22 ILE 6 2.769 -0.211 -1.337 48 3HG2 ILE 6 HG23 ILE 6 1.085 -0.818 -1.483 49 1HD1 ILE 6 HD11 ILE 6 2.586 1.495 -2.864 50 2HD1 ILE 6 HD12 ILE 6 3.158 2.625 -1.584 51 3HD1 ILE 6 HD13 ILE 6 2.098 3.225 -2.905 52 H ALA 7 HN ALA 7 -1.675 2.058 -0.672 53 HA ALA 7 HA ALA 7 -3.464 -0.135 -1.303 54 1HB ALA 7 HB1 ALA 7 -4.508 1.828 -0.041 55 2HB ALA 7 HB2 ALA 7 -5.230 1.602 -1.633 56 3HB ALA 7 HB3 ALA 7 -4.010 2.911 -1.382 57 H GLN 8 HN GLN 8 -4.689 1.876 -3.242 58 HA GLN 8 HA GLN 8 -2.885 2.137 -5.367 59 1HB GLN 8 HB2 GLN 8 -5.652 0.714 -5.636 60 2HB GLN 8 HB1 GLN 8 -4.516 1.060 -6.979 61 1HG GLN 8 HG2 GLN 8 -2.947 -0.669 -6.121 62 2HG GLN 8 HG1 GLN 8 -3.955 -0.911 -4.653 63 1HE2 GLN 8 HE21 GLN 8 -5.709 -2.332 -4.756 64 2HE2 GLN 8 HE22 GLN 8 -6.273 -3.076 -6.233 65 HA PRO 9 HA PRO 9 -6.039 5.383 -4.924 66 1HB PRO 9 HB2 PRO 9 -6.397 5.237 -7.984 67 2HB PRO 9 HB1 PRO 9 -6.178 6.721 -6.976 68 1HG PRO 9 HG1 PRO 9 -4.079 5.741 -8.434 69 2HG PRO 9 HG2 PRO 9 -3.807 6.265 -6.717 70 1HD PRO 9 HD1 PRO 9 -4.240 3.401 -7.758 71 2HD PRO 9 HD2 PRO 9 -2.986 4.028 -6.587 72 H GLU 10 HN GLU 10 -9.366 4.019 -5.542 73 HA GLU 10 HA GLU 10 -8.023 6.547 -5.182 74 1HB GLU 10 HB2 GLU 10 -10.886 5.608 -4.494 75 2HB GLU 10 HB1 GLU 10 -10.297 7.288 -4.386 76 1HG GLU 10 HG2 GLU 10 -10.529 5.615 -6.973 77 2HG GLU 10 HG1 GLU 10 -11.635 6.936 -6.447 78 H ASN 11 HN ASN 11 -9.591 3.911 -3.265 79 HA ASN 11 HA ASN 11 -8.206 4.537 -0.867 80 1HB ASN 11 HB2 ASN 11 -10.593 5.704 -0.787 81 2HB ASN 11 HB1 ASN 11 -11.327 4.153 -1.289 82 1HD2 ASN 11 HD22 ASN 11 -10.543 2.185 0.419 83 2HD2 ASN 11 HD21 ASN 11 -10.237 2.728 2.070 84 H CYS 12 HN CYS 12 -7.377 2.221 -0.819 85 HA CYS 12 HA CYS 12 -9.120 0.143 -1.672 86 1HB CYS 12 HB2 CYS 12 -6.764 0.958 -3.503 87 2HB CYS 12 HB1 CYS 12 -7.349 -0.722 -3.476 88 H VAL 13 HN VAL 13 -6.965 -1.763 -2.054 89 HA VAL 13 HA VAL 13 -4.953 -1.213 -0.137 90 HB VAL 13 HB VAL 13 -4.852 -3.830 0.122 91 1HG1 VAL 13 HG11 VAL 13 -6.839 -2.109 1.711 92 2HG1 VAL 13 HG12 VAL 13 -5.124 -2.502 2.094 93 3HG1 VAL 13 HG13 VAL 13 -6.354 -3.800 2.157 94 1HG2 VAL 13 HG21 VAL 13 -6.673 -4.352 -1.517 95 2HG2 VAL 13 HG22 VAL 13 -7.887 -3.579 -0.415 96 3HG2 VAL 13 HG23 VAL 13 -6.969 -5.040 0.108 97 H TYR 14 HN TYR 14 -3.078 -2.599 -1.099 98 HA TYR 14 HA TYR 14 -3.466 -3.080 -3.941 99 1HB TYR 14 HB2 TYR 14 -1.134 -2.381 -2.329 100 2HB TYR 14 HB1 TYR 14 -0.819 -3.996 -2.943 101 HD1 TYR 14 HD1 TYR 14 0.204 -0.984 -3.645 102 HD2 TYR 14 HD2 TYR 14 -2.093 -4.013 -5.669 103 HE1 TYR 14 HE1 TYR 14 0.911 -0.080 -5.813 104 HE2 TYR 14 HE2 TYR 14 -1.420 -3.092 -7.826 105 HH TYR 14 HH TYR 14 -0.310 -1.393 -8.912 106 H HIS 15 HN HIS 15 -1.700 -5.558 -3.907 107 HA HIS 15 HA HIS 15 -2.799 -7.142 -1.833 108 1HB HIS 15 HB2 HIS 15 -3.129 -7.913 -4.816 109 2HB HIS 15 HB1 HIS 15 -2.985 -9.125 -3.500 110 HD1 HIS 15 HD1 HIS 15 -5.320 -6.267 -4.497 111 HD2 HIS 15 HD2 HIS 15 -5.304 -9.692 -2.065 112 HE1 HIS 15 HE1 HIS 15 -7.653 -6.545 -3.556 113 HE2 HIS 15 HE2 HIS 15 -7.598 -8.620 -2.109 114 H CYS 16 HN CYS 16 -1.147 -9.179 -2.091 115 HA CYS 16 HA CYS 16 1.416 -7.852 -2.636 116 1HB CYS 16 HB2 CYS 16 0.866 -8.494 -0.151 117 2HB CYS 16 HB1 CYS 16 0.848 -10.196 -0.694 118 H PHE 17 HN PHE 17 3.042 -9.567 -3.365 119 HA PHE 17 HA PHE 17 1.814 -11.962 -4.516 120 1HB PHE 17 HB2 PHE 17 4.463 -10.467 -5.222 121 2HB PHE 17 HB1 PHE 17 3.982 -12.073 -5.853 122 HD1 PHE 17 HD1 PHE 17 3.069 -8.408 -5.804 123 HD2 PHE 17 HD2 PHE 17 2.537 -12.218 -7.730 124 HE1 PHE 17 HE1 PHE 17 1.899 -7.298 -7.675 125 HE2 PHE 17 HE2 PHE 17 1.354 -11.099 -9.599 126 HZ PHE 17 HZ PHE 17 1.032 -8.642 -9.574 127 HA PRO 18 HA PRO 18 3.481 -12.248 -0.426 128 1HB PRO 18 HB2 PRO 18 3.430 -15.239 -1.082 129 2HB PRO 18 HB1 PRO 18 3.161 -14.485 0.547 130 1HG PRO 18 HG1 PRO 18 1.029 -15.054 -1.110 131 2HG PRO 18 HG2 PRO 18 1.063 -13.509 -0.164 132 1HD PRO 18 HD1 PRO 18 1.377 -13.853 -3.114 133 2HD PRO 18 HD2 PRO 18 1.040 -12.374 -2.139 134 H GLY 19 HN GLY 19 5.554 -11.258 -0.299 135 1HA GLY 19 HA2 GLY 19 7.660 -12.603 0.496 136 2HA GLY 19 HA1 GLY 19 7.799 -12.495 -1.340 137 H SER 20 HN SER 20 9.564 -10.637 -0.715 138 HA SER 20 HA SER 20 8.164 -8.184 -0.106 139 1HB SER 20 HB2 SER 20 10.530 -7.222 -0.562 140 2HB SER 20 HB1 SER 20 10.325 -8.257 0.895 141 HG SER 20 HG SER 20 12.154 -8.748 -0.421 142 H SER 21 HN SER 21 9.401 -10.135 -2.846 143 HA SER 21 HA SER 21 10.343 -8.549 -4.511 144 1HB SER 21 HB2 SER 21 8.352 -10.665 -5.471 145 2HB SER 21 HB1 SER 21 9.993 -10.273 -6.119 146 HG SER 21 HG SER 21 10.032 -12.137 -4.842 147 H GLY 22 HN GLY 22 6.780 -9.142 -4.753 148 1HA GLY 22 HA2 GLY 22 6.561 -7.356 -6.949 149 2HA GLY 22 HA1 GLY 22 5.233 -8.072 -5.960 150 H CYS 23 HN CYS 23 5.570 -7.103 -3.458 151 HA CYS 23 HA CYS 23 4.540 -4.524 -3.706 152 1HB CYS 23 HB2 CYS 23 5.783 -5.876 -1.237 153 2HB CYS 23 HB1 CYS 23 4.914 -4.310 -1.191 154 H ASP 24 HN ASP 24 7.861 -5.673 -2.814 155 HA ASP 24 HA ASP 24 8.811 -3.172 -2.063 156 1HB ASP 24 HB2 ASP 24 9.959 -5.387 -1.618 157 2HB ASP 24 HB1 ASP 24 10.438 -5.460 -3.345 158 H THR 25 HN THR 25 8.777 -4.798 -5.296 159 HA THR 25 HA THR 25 10.209 -2.773 -6.600 160 HB THR 25 HB THR 25 8.022 -4.559 -7.717 161 HG1 THR 25 HG1 THR 25 9.484 -5.946 -6.824 162 1HG2 THR 25 HG21 THR 25 8.791 -2.770 -9.328 163 2HG2 THR 25 HG22 THR 25 9.396 -4.375 -9.859 164 3HG2 THR 25 HG23 THR 25 10.509 -3.226 -9.033 165 H LEU 26 HN LEU 26 6.653 -3.246 -6.051 166 HA LEU 26 HA LEU 26 5.847 -1.008 -7.552 167 1HB LEU 26 HB2 LEU 26 4.511 -2.404 -5.166 168 2HB LEU 26 HB1 LEU 26 3.711 -1.134 -6.147 169 HG LEU 26 HG LEU 26 4.802 -3.730 -7.371 170 1HD1 LEU 26 HD11 LEU 26 1.941 -3.192 -6.360 171 2HD1 LEU 26 HD12 LEU 26 3.140 -4.316 -5.623 172 3HD1 LEU 26 HD13 LEU 26 2.502 -4.641 -7.275 173 1HD2 LEU 26 HD21 LEU 26 4.452 -1.908 -9.016 174 2HD2 LEU 26 HD22 LEU 26 2.781 -1.634 -8.407 175 3HD2 LEU 26 HD23 LEU 26 3.205 -3.185 -9.226 176 H CYS 27 HN CYS 27 6.632 -1.481 -4.112 177 HA CYS 27 HA CYS 27 5.955 1.035 -3.208 178 1HB CYS 27 HB2 CYS 27 6.570 -1.088 -1.860 179 2HB CYS 27 HB1 CYS 27 8.289 -0.692 -2.150 180 H LYS 28 HN LYS 28 9.067 -0.217 -4.574 181 HA LYS 28 HA LYS 28 10.399 2.234 -3.974 182 1HB LYS 28 HB2 LYS 28 11.221 -0.147 -5.695 183 2HB LYS 28 HB1 LYS 28 12.253 1.309 -5.439 184 1HG LYS 28 HG2 LYS 28 12.211 0.963 -2.976 185 2HG LYS 28 HG1 LYS 28 11.142 -0.459 -3.169 186 1HD LYS 28 HD2 LYS 28 13.407 -1.204 -2.758 187 2HD LYS 28 HD1 LYS 28 12.923 -1.672 -4.424 188 1HE LYS 28 HE2 LYS 28 14.279 0.237 -5.361 189 2HE LYS 28 HE1 LYS 28 14.715 0.754 -3.680 190 1HZ LYS 28 HZ1 LYS 28 15.396 -1.816 -5.005 191 2HZ LYS 28 HZ2 LYS 28 15.739 -1.431 -3.387 192 3HZ LYS 28 HZ3 LYS 28 16.449 -0.534 -4.642 193 H GLU 29 HN GLU 29 8.582 1.087 -6.851 194 HA GLU 29 HA GLU 29 9.626 3.235 -8.432 195 1HB GLU 29 HB2 GLU 29 8.045 2.660 -10.164 196 2HB GLU 29 HB1 GLU 29 8.866 1.185 -9.550 197 1HG GLU 29 HG2 GLU 29 6.875 0.660 -8.158 198 2HG GLU 29 HG1 GLU 29 6.003 2.101 -8.792 199 H LYS 30 HN LYS 30 6.955 2.909 -6.120 200 HA LYS 30 HA LYS 30 5.760 5.416 -6.961 201 1HB LYS 30 HB2 LYS 30 5.296 3.531 -4.605 202 2HB LYS 30 HB1 LYS 30 4.823 5.251 -4.437 203 1HG LYS 30 HG2 LYS 30 2.883 4.129 -5.089 204 2HG LYS 30 HG1 LYS 30 3.413 5.137 -6.476 205 1HD LYS 30 HD2 LYS 30 4.322 3.091 -7.614 206 2HD LYS 30 HD1 LYS 30 3.831 2.089 -6.206 207 1HE LYS 30 HE2 LYS 30 1.898 3.662 -8.042 208 2HE LYS 30 HE1 LYS 30 2.207 1.878 -8.086 209 1HZ LYS 30 HZ1 LYS 30 1.110 3.395 -5.775 210 2HZ LYS 30 HZ2 LYS 30 1.378 1.719 -5.851 211 3HZ LYS 30 HZ3 LYS 30 0.224 2.444 -6.867 212 H GLY 31 HN GLY 31 7.674 4.274 -4.107 213 1HA GLY 31 HA2 GLY 31 9.728 5.637 -4.001 214 2HA GLY 31 HA1 GLY 31 8.626 7.058 -3.791 215 H GLY 32 HN GLY 32 8.373 3.688 -2.446 216 1HA GLY 32 HA2 GLY 32 8.838 4.854 0.207 217 2HA GLY 32 HA1 GLY 32 7.875 3.375 -0.182 218 H THR 33 HN THR 33 10.120 3.252 1.558 219 HA THR 33 HA THR 33 12.485 2.946 -0.145 220 HB THR 33 HB THR 33 12.166 2.952 2.903 221 HG1 THR 33 HG1 THR 33 11.474 4.802 1.526 222 1HG2 THR 33 HG21 THR 33 14.381 2.002 2.138 223 2HG2 THR 33 HG22 THR 33 14.602 3.639 2.846 224 3HG2 THR 33 HG23 THR 33 14.627 3.423 1.061 225 H SER 34 HN SER 34 10.211 0.936 1.777 226 HA SER 34 HA SER 34 11.541 -1.376 0.761 227 1HB SER 34 HB2 SER 34 10.839 -1.145 3.781 228 2HB SER 34 HB1 SER 34 11.628 -2.541 2.951 229 HG SER 34 HG SER 34 13.349 -0.972 2.485 230 H GLY 35 HN GLY 35 9.767 -3.144 0.854 231 1HA GLY 35 HA2 GLY 35 7.273 -2.321 1.828 232 2HA GLY 35 HA1 GLY 35 7.450 -2.381 -0.002 233 H HIS 36 HN HIS 36 5.967 -4.379 1.630 234 HA HIS 36 HA HIS 36 7.076 -6.709 0.724 235 1HB HIS 36 HB2 HIS 36 7.215 -7.856 3.034 236 2HB HIS 36 HB1 HIS 36 8.600 -6.781 2.688 237 HD1 HIS 36 HD1 HIS 36 8.706 -4.506 4.016 238 HD2 HIS 36 HD2 HIS 36 5.604 -7.056 5.240 239 HE1 HIS 36 HE1 HIS 36 7.854 -3.647 6.245 240 HE2 HIS 36 HE2 HIS 36 6.003 -5.223 6.952 241 H CYS 37 HN CYS 37 5.238 -8.302 2.263 242 HA CYS 37 HA CYS 37 2.843 -7.097 1.337 243 1HB CYS 37 HB2 CYS 37 2.964 -9.414 3.346 244 2HB CYS 37 HB1 CYS 37 1.629 -8.995 2.216 245 H GLY 38 HN GLY 38 0.784 -7.337 2.979 246 1HA GLY 38 HA2 GLY 38 1.339 -7.010 5.652 247 2HA GLY 38 HA1 GLY 38 0.756 -5.475 4.825 248 H PHE 39 HN PHE 39 -1.193 -6.696 6.465 249 HA PHE 39 HA PHE 39 -3.057 -7.549 4.468 250 1HB PHE 39 HB2 PHE 39 -2.242 -9.668 5.840 251 2HB PHE 39 HB1 PHE 39 -2.865 -8.842 7.307 252 HD1 PHE 39 HD1 PHE 39 -5.371 -8.275 7.387 253 HD2 PHE 39 HD2 PHE 39 -3.672 -10.834 4.380 254 HE1 PHE 39 HE1 PHE 39 -7.591 -9.265 6.975 255 HE2 PHE 39 HE2 PHE 39 -5.890 -11.822 3.962 256 HZ PHE 39 HZ PHE 39 -7.861 -11.062 5.280 257 H LYS 40 HN LYS 40 -4.862 -6.212 4.929 258 HA LYS 40 HA LYS 40 -4.543 -4.399 7.233 259 1HB LYS 40 HB2 LYS 40 -4.130 -3.099 5.169 260 2HB LYS 40 HB1 LYS 40 -5.529 -3.882 4.364 261 1HG LYS 40 HG2 LYS 40 -6.027 -1.567 4.998 262 2HG LYS 40 HG1 LYS 40 -7.118 -2.714 5.833 263 1HD LYS 40 HD2 LYS 40 -5.807 -2.461 7.947 264 2HD LYS 40 HD1 LYS 40 -4.611 -1.425 7.093 265 1HE LYS 40 HE2 LYS 40 -6.195 -0.069 8.475 266 2HE LYS 40 HE1 LYS 40 -6.363 0.324 6.715 267 1HZ LYS 40 HZ1 LYS 40 -8.122 -1.527 8.243 268 2HZ LYS 40 HZ2 LYS 40 -8.291 -1.067 6.620 269 3HZ LYS 40 HZ3 LYS 40 -8.475 0.088 7.846 270 H VAL 41 HN VAL 41 -6.036 -5.279 8.649 271 HA VAL 41 HA VAL 41 -8.163 -6.839 7.662 272 HB VAL 41 HB VAL 41 -8.251 -5.771 10.492 273 1HG1 VAL 41 HG11 VAL 41 -8.945 -8.150 10.893 274 2HG1 VAL 41 HG12 VAL 41 -8.625 -8.559 9.172 275 3HG1 VAL 41 HG13 VAL 41 -9.954 -7.411 9.599 276 1HG2 VAL 41 HG21 VAL 41 -6.079 -7.699 9.428 277 2HG2 VAL 41 HG22 VAL 41 -6.549 -7.536 11.153 278 3HG2 VAL 41 HG23 VAL 41 -5.834 -6.133 10.305 279 H GLY 42 HN GLY 42 -10.206 -6.142 7.049 280 1HA GLY 42 HA2 GLY 42 -11.952 -4.469 7.500 281 2HA GLY 42 HA1 GLY 42 -10.639 -3.243 7.238 282 H HIS 43 HN HIS 43 -9.180 -4.982 5.302 283 HA HIS 43 HA HIS 43 -11.141 -5.042 3.088 284 1HB HIS 43 HB2 HIS 43 -8.325 -3.860 3.153 285 2HB HIS 43 HB1 HIS 43 -8.972 -4.601 1.644 286 HD1 HIS 43 HD1 HIS 43 -8.515 -2.031 0.903 287 HD2 HIS 43 HD2 HIS 43 -11.984 -2.817 3.130 288 HE1 HIS 43 HE1 HIS 43 -10.154 -0.181 0.404 289 HE2 HIS 43 HE2 HIS 43 -12.232 -0.677 1.779 290 H GLY 44 HN GLY 44 -7.679 -6.109 3.903 291 1HA GLY 44 HA2 GLY 44 -8.000 -8.676 4.034 292 2HA GLY 44 HA1 GLY 44 -8.228 -8.387 2.250 293 H LEU 45 HN LEU 45 -6.285 -9.335 1.671 294 HA LEU 45 HA LEU 45 -3.733 -8.825 2.637 295 1HB LEU 45 HB2 LEU 45 -4.467 -10.734 1.113 296 2HB LEU 45 HB1 LEU 45 -4.777 -9.529 -0.170 297 HG LEU 45 HG LEU 45 -2.275 -9.010 -0.190 298 1HD1 LEU 45 HD11 LEU 45 -0.697 -10.735 0.669 299 2HD1 LEU 45 HD12 LEU 45 -2.041 -11.629 1.432 300 3HD1 LEU 45 HD13 LEU 45 -1.589 -9.984 2.038 301 1HD2 LEU 45 HD21 LEU 45 -3.130 -11.903 -0.864 302 2HD2 LEU 45 HD22 LEU 45 -1.754 -11.011 -1.591 303 3HD2 LEU 45 HD23 LEU 45 -3.447 -10.461 -1.886 304 H ALA 46 HN ALA 46 -2.012 -7.236 1.785 305 HA ALA 46 HA ALA 46 -3.040 -5.106 0.157 306 1HB ALA 46 HB1 ALA 46 -2.528 -3.367 1.917 307 2HB ALA 46 HB2 ALA 46 -2.116 -4.687 3.088 308 3HB ALA 46 HB3 ALA 46 -3.809 -4.481 2.519 309 H CYS 47 HN CYS 47 -0.774 -3.355 0.583 310 HA CYS 47 HA CYS 47 1.477 -5.278 0.743 311 1HB CYS 47 HB2 CYS 47 1.135 -2.873 -1.110 312 2HB CYS 47 HB1 CYS 47 2.767 -3.341 -0.508 313 H TRP 48 HN TRP 48 3.395 -3.839 1.693 314 HA TRP 48 HA TRP 48 2.261 -1.679 3.332 315 1HB TRP 48 HB2 TRP 48 2.578 -3.582 4.857 316 2HB TRP 48 HB1 TRP 48 4.167 -3.947 4.108 317 HD1 TRP 48 HD1 TRP 48 6.230 -2.413 4.727 318 HE1 TRP 48 HE1 TRP 48 6.767 -0.816 6.614 319 HE3 TRP 48 HE3 TRP 48 1.528 -2.064 6.602 320 HZ2 TRP 48 HZ2 TRP 48 5.253 0.483 8.752 321 HZ3 TRP 48 HZ3 TRP 48 1.105 -0.640 8.574 322 HH2 TRP 48 HH2 TRP 48 2.948 0.624 9.636 323 H CYS 49 HN CYS 49 3.949 0.035 3.730 324 HA CYS 49 HA CYS 49 6.347 -0.198 2.150 325 1HB CYS 49 HB2 CYS 49 4.224 1.995 1.721 326 2HB CYS 49 HB1 CYS 49 5.959 2.355 1.513 327 H ASN 50 HN ASN 50 7.975 1.086 3.090 328 HA ASN 50 HA ASN 50 7.157 2.636 5.470 329 1HB ASN 50 HB2 ASN 50 9.746 1.079 4.894 330 2HB ASN 50 HB1 ASN 50 9.777 2.514 5.967 331 1HD2 ASN 50 HD21 ASN 50 8.662 2.467 8.032 332 2HD2 ASN 50 HD22 ASN 50 8.201 0.958 8.743 333 H ALA 51 HN ALA 51 7.627 4.732 5.424 334 HA ALA 51 HA ALA 51 8.283 6.661 4.944 335 1HB ALA 51 HB1 ALA 51 10.731 5.400 3.637 336 2HB ALA 51 HB2 ALA 51 10.582 5.946 5.342 337 3HB ALA 51 HB3 ALA 51 10.534 7.155 4.000 338 H LEU 52 HN LEU 52 6.305 6.686 3.638 339 HA LEU 52 HA LEU 52 6.911 7.055 0.764 340 1HB LEU 52 HB2 LEU 52 4.257 6.591 2.230 341 2HB LEU 52 HB1 LEU 52 4.335 7.234 0.559 342 HG LEU 52 HG LEU 52 5.551 4.549 1.388 343 1HD1 LEU 52 HD11 LEU 52 3.494 3.520 0.303 344 2HD1 LEU 52 HD12 LEU 52 2.763 5.160 0.198 345 3HD1 LEU 52 HD13 LEU 52 3.126 4.428 1.813 346 1HD2 LEU 52 HD21 LEU 52 5.601 4.021 -0.995 347 2HD2 LEU 52 HD22 LEU 52 6.387 5.627 -0.778 348 3HD2 LEU 52 HD23 LEU 52 4.724 5.530 -1.423 349 HA PRO 53 HA PRO 53 6.408 11.296 2.176 350 1HB PRO 53 HB2 PRO 53 5.773 11.784 -0.796 351 2HB PRO 53 HB1 PRO 53 6.873 12.746 0.268 352 1HG PRO 53 HG1 PRO 53 7.923 10.967 -1.514 353 2HG PRO 53 HG2 PRO 53 8.562 10.978 0.186 354 1HD PRO 53 HD1 PRO 53 6.459 9.072 -1.013 355 2HD PRO 53 HD2 PRO 53 7.912 8.687 -0.012 356 H ASP 54 HN ASP 54 4.720 13.124 2.061 357 HA ASP 54 HA ASP 54 2.366 11.971 2.889 358 1HB ASP 54 HB2 ASP 54 2.994 14.875 2.107 359 2HB ASP 54 HB1 ASP 54 1.573 14.364 3.105 360 H ASN 55 HN ASN 55 3.239 13.020 -0.329 361 HA ASN 55 HA ASN 55 0.521 13.520 -1.147 362 1HB ASN 55 HB2 ASN 55 1.517 13.851 -3.429 363 2HB ASN 55 HB1 ASN 55 2.315 14.865 -2.183 364 1HD2 ASN 55 HD21 ASN 55 2.789 12.187 -4.465 365 2HD2 ASN 55 HD22 ASN 55 4.496 12.010 -4.193 366 H VAL 56 HN VAL 56 2.041 10.670 -0.357 367 HA VAL 56 HA VAL 56 0.974 9.227 -2.677 368 HB VAL 56 HB VAL 56 2.509 8.056 -0.311 369 1HG1 VAL 56 HG11 VAL 56 1.160 6.459 -1.685 370 2HG1 VAL 56 HG12 VAL 56 2.907 6.231 -2.024 371 3HG1 VAL 56 HG13 VAL 56 1.880 7.113 -3.202 372 1HG2 VAL 56 HG21 VAL 56 4.549 8.204 -1.744 373 2HG2 VAL 56 HG22 VAL 56 3.954 9.828 -1.326 374 3HG2 VAL 56 HG23 VAL 56 3.640 9.181 -2.966 375 H GLY 57 HN GLY 57 -1.071 8.256 -2.433 376 1HA GLY 57 HA2 GLY 57 -2.233 8.449 0.251 377 2HA GLY 57 HA1 GLY 57 -3.091 8.252 -1.347 378 H ILE 58 HN ILE 58 -3.420 6.512 1.005 379 HA ILE 58 HA ILE 58 -2.301 4.008 0.091 380 HB ILE 58 HB ILE 58 -1.535 3.593 2.482 381 1HG1 ILE 58 HG12 ILE 58 -1.665 6.648 2.857 382 2HG1 ILE 58 HG11 ILE 58 -2.928 5.534 3.482 383 1HG2 ILE 58 HG21 ILE 58 0.062 4.246 0.605 384 2HG2 ILE 58 HG22 ILE 58 0.652 4.678 2.247 385 3HG2 ILE 58 HG23 ILE 58 -0.028 5.949 1.170 386 1HD1 ILE 58 HD11 ILE 58 -1.177 4.268 4.766 387 2HD1 ILE 58 HD12 ILE 58 -1.329 5.992 5.275 388 3HD1 ILE 58 HD13 ILE 58 0.060 5.478 4.240 389 H ILE 59 HN ILE 59 -3.248 2.982 2.819 390 HA ILE 59 HA ILE 59 -5.974 2.752 1.979 391 HB ILE 59 HB ILE 59 -5.276 2.059 4.839 392 1HG1 ILE 59 HG12 ILE 59 -3.381 1.133 3.786 393 2HG1 ILE 59 HG11 ILE 59 -4.535 -0.141 4.284 394 1HG2 ILE 59 HG21 ILE 59 -6.945 0.232 4.300 395 2HG2 ILE 59 HG22 ILE 59 -7.104 0.882 2.625 396 3HG2 ILE 59 HG23 ILE 59 -7.620 1.869 4.041 397 1HD1 ILE 59 HD11 ILE 59 -3.692 -0.865 2.171 398 2HD1 ILE 59 HD12 ILE 59 -3.813 0.760 1.452 399 3HD1 ILE 59 HD13 ILE 59 -5.320 -0.181 1.791 400 H VAL 60 HN VAL 60 -7.768 3.829 2.922 401 HA VAL 60 HA VAL 60 -7.327 5.959 4.752 402 HB VAL 60 HB VAL 60 -8.550 6.119 1.901 403 1HG1 VAL 60 HG11 VAL 60 -10.029 7.291 3.494 404 2HG1 VAL 60 HG12 VAL 60 -9.146 8.480 2.480 405 3HG1 VAL 60 HG13 VAL 60 -8.616 8.198 4.184 406 1HG2 VAL 60 HG21 VAL 60 -6.895 7.948 1.501 407 2HG2 VAL 60 HG22 VAL 60 -6.072 6.402 1.882 408 3HG2 VAL 60 HG23 VAL 60 -6.190 7.689 3.141 409 H GLU 61 HN GLU 61 -9.469 5.985 5.783 410 HA GLU 61 HA GLU 61 -11.101 4.956 6.749 411 1HB GLU 61 HB2 GLU 61 -12.032 6.224 4.752 412 2HB GLU 61 HB1 GLU 61 -12.250 4.697 3.902 413 1HG GLU 61 HG2 GLU 61 -13.922 3.954 5.605 414 2HG GLU 61 HG1 GLU 61 -13.464 5.319 6.692 415 H GLY 62 HN GLY 62 -12.481 2.949 4.526 416 1HA GLY 62 HA2 GLY 62 -11.175 0.662 4.163 417 2HA GLY 62 HA1 GLY 62 -11.905 0.558 5.848 418 H GLU 63 HN GLU 63 -12.728 2.312 2.807 419 HA GLU 63 HA GLU 63 -15.530 2.040 3.493 420 1HB GLU 63 HB2 GLU 63 -14.735 4.285 2.788 421 2HB GLU 63 HB1 GLU 63 -14.006 3.613 1.306 422 1HG GLU 63 HG2 GLU 63 -16.096 4.844 0.827 423 2HG GLU 63 HG1 GLU 63 -16.271 3.111 0.376 424 H LYS 64 HN LYS 64 -13.337 1.544 0.631 425 HA LYS 64 HA LYS 64 -14.502 -0.902 -0.001 426 1HB LYS 64 HB2 LYS 64 -16.215 1.110 -0.863 427 2HB LYS 64 HB1 LYS 64 -15.025 1.218 -2.183 428 1HG LYS 64 HG2 LYS 64 -16.835 -0.171 -2.905 429 2HG LYS 64 HG1 LYS 64 -15.478 -1.310 -2.614 430 1HD LYS 64 HD2 LYS 64 -16.481 -1.967 -0.422 431 2HD LYS 64 HD1 LYS 64 -17.740 -0.694 -0.607 432 1HE LYS 64 HE2 LYS 64 -18.671 -1.864 -2.617 433 2HE LYS 64 HE1 LYS 64 -17.411 -3.157 -2.457 434 1HZ LYS 64 HZ1 LYS 64 -19.423 -2.448 -0.385 435 2HZ LYS 64 HZ2 LYS 64 -18.302 -3.723 -0.326 436 3HZ LYS 64 HZ3 LYS 64 -19.548 -3.737 -1.481 437 H CYS 65 HN CYS 65 -13.605 -0.843 -2.666 438 HA CYS 65 HA CYS 65 -11.014 0.466 -2.546 439 1HB CYS 65 HB2 CYS 65 -10.533 -1.907 -2.721 440 2HB CYS 65 HB1 CYS 65 -11.813 -2.125 -3.944 441 H HIS 66 HN HIS 66 -11.211 2.191 -3.686 442 HA HIS 66 HA HIS 66 -11.783 3.712 -5.110 443 1HB HIS 66 HB2 HIS 66 -13.722 1.901 -6.594 444 2HB HIS 66 HB1 HIS 66 -13.162 3.540 -7.096 445 HD1 HIS 66 HD1 HIS 66 -10.468 3.741 -7.383 446 HD2 HIS 66 HD2 HIS 66 -11.997 -0.165 -7.441 447 HE1 HIS 66 HE1 HIS 66 -8.634 2.237 -8.251 448 HE2 HIS 66 HE2 HIS 66 -9.606 -0.109 -8.309 449 H SER 67 HN SER 67 -14.556 4.459 -5.973 450 HA SER 67 HA SER 67 -15.179 5.441 -3.377 451 1HB SER 67 HB2 SER 67 -16.904 6.750 -4.872 452 2HB SER 67 HB1 SER 67 -15.156 7.048 -5.209 453 HG SER 67 HG SER 67 -16.851 5.197 -6.527 454 1HN NH2 68 H1 NH2 68 -16.440 3.895 -2.161 455 2HN NH2 68 H2 NH2 68 -17.918 3.200 -2.754 Start of MODEL 11 1 1H VAL 1 HT1 VAL 1 7.389 12.851 5.187 2 2H VAL 1 HT2 VAL 1 7.341 12.036 6.681 3 3H VAL 1 HT3 VAL 1 5.972 12.871 6.128 4 HA VAL 1 HA VAL 1 5.776 11.393 4.283 5 HB VAL 1 HB VAL 1 7.077 9.225 4.314 6 1HG1 VAL 1 HG11 VAL 1 9.118 10.171 3.297 7 2HG1 VAL 1 HG12 VAL 1 8.796 11.781 4.036 8 3HG1 VAL 1 HG13 VAL 1 7.678 11.115 2.791 9 1HG2 VAL 1 HG21 VAL 1 8.837 10.653 6.426 10 2HG2 VAL 1 HG22 VAL 1 9.182 9.081 5.628 11 3HG2 VAL 1 HG23 VAL 1 7.775 9.228 6.737 12 H ARG 2 HN ARG 2 4.767 9.103 4.510 13 HA ARG 2 HA ARG 2 3.699 8.743 7.244 14 1HB ARG 2 HB2 ARG 2 2.469 7.737 4.588 15 2HB ARG 2 HB1 ARG 2 1.755 7.596 6.229 16 1HG ARG 2 HG2 ARG 2 0.629 9.528 5.835 17 2HG ARG 2 HG1 ARG 2 2.194 10.380 5.872 18 1HD ARG 2 HD2 ARG 2 1.514 11.075 3.784 19 2HD ARG 2 HD1 ARG 2 2.315 9.549 3.267 20 HE ARG 2 HE ARG 2 0.179 8.681 2.659 21 1HH1 ARG 2 HH21 ARG 2 -0.306 11.638 4.629 22 2HH1 ARG 2 HH22 ARG 2 -1.995 11.727 4.264 23 1HH2 ARG 2 HH11 ARG 2 -2.047 8.789 2.271 24 2HH2 ARG 2 HH12 ARG 2 -3.010 10.069 2.938 25 H ASP 3 HN ASP 3 3.114 6.190 7.487 26 HA ASP 3 HA ASP 3 4.769 4.542 5.820 27 1HB ASP 3 HB2 ASP 3 4.402 4.023 8.866 28 2HB ASP 3 HB1 ASP 3 5.328 3.031 7.687 29 H GLY 4 HN GLY 4 3.205 2.603 5.463 30 1HA GLY 4 HA2 GLY 4 0.842 2.669 6.997 31 2HA GLY 4 HA1 GLY 4 0.641 3.366 5.324 32 H TYR 5 HN TYR 5 -0.774 1.162 5.680 33 HA TYR 5 HA TYR 5 0.661 -0.952 4.279 34 1HB TYR 5 HB2 TYR 5 -2.293 -0.372 4.967 35 2HB TYR 5 HB1 TYR 5 -1.831 -1.669 3.810 36 HD1 TYR 5 HD1 TYR 5 -0.598 -3.626 4.605 37 HD2 TYR 5 HD2 TYR 5 -1.984 -0.621 7.349 38 HE1 TYR 5 HE1 TYR 5 -0.495 -5.247 6.440 39 HE2 TYR 5 HE2 TYR 5 -1.885 -2.253 9.197 40 HH TYR 5 HH TYR 5 -1.740 -5.630 8.502 41 H ILE 6 HN ILE 6 0.611 -0.827 1.930 42 HA ILE 6 HA ILE 6 -0.320 1.801 1.030 43 HB ILE 6 HB ILE 6 2.011 1.317 0.509 44 1HG1 ILE 6 HG12 ILE 6 0.127 1.742 -1.895 45 2HG1 ILE 6 HG11 ILE 6 0.637 2.981 -0.702 46 1HG2 ILE 6 HG21 ILE 6 1.843 -1.108 0.090 47 2HG2 ILE 6 HG22 ILE 6 2.570 -0.271 -1.313 48 3HG2 ILE 6 HG23 ILE 6 0.860 -0.815 -1.402 49 1HD1 ILE 6 HD11 ILE 6 2.025 3.259 -2.677 50 2HD1 ILE 6 HD12 ILE 6 2.419 1.502 -2.740 51 3HD1 ILE 6 HD13 ILE 6 3.078 2.523 -1.412 52 H ALA 7 HN ALA 7 -1.900 1.997 -0.196 53 HA ALA 7 HA ALA 7 -3.646 -0.164 -0.890 54 1HB ALA 7 HB1 ALA 7 -4.658 1.961 -0.009 55 2HB ALA 7 HB2 ALA 7 -5.191 1.674 -1.670 56 3HB ALA 7 HB3 ALA 7 -3.894 2.890 -1.354 57 H GLN 8 HN GLN 8 -4.540 1.565 -3.288 58 HA GLN 8 HA GLN 8 -2.289 1.654 -4.952 59 1HB GLN 8 HB2 GLN 8 -3.307 0.372 -6.810 60 2HB GLN 8 HB1 GLN 8 -3.233 -0.707 -5.360 61 1HG GLN 8 HG2 GLN 8 -5.682 -0.060 -4.946 62 2HG GLN 8 HG1 GLN 8 -5.695 0.674 -6.588 63 1HE2 GLN 8 HE21 GLN 8 -5.428 -2.401 -4.730 64 2HE2 GLN 8 HE22 GLN 8 -5.510 -3.457 -6.119 65 HA PRO 9 HA PRO 9 -4.839 5.139 -5.240 66 1HB PRO 9 HB2 PRO 9 -4.896 4.930 -8.317 67 2HB PRO 9 HB1 PRO 9 -4.554 6.404 -7.326 68 1HG PRO 9 HG1 PRO 9 -2.479 5.011 -8.437 69 2HG PRO 9 HG2 PRO 9 -2.355 5.536 -6.704 70 1HD PRO 9 HD1 PRO 9 -3.127 2.770 -7.790 71 2HD PRO 9 HD2 PRO 9 -2.012 3.207 -6.411 72 H GLU 10 HN GLU 10 -8.341 4.647 -6.065 73 HA GLU 10 HA GLU 10 -6.462 6.739 -5.521 74 1HB GLU 10 HB2 GLU 10 -9.487 6.395 -5.026 75 2HB GLU 10 HB1 GLU 10 -8.562 7.798 -4.436 76 1HG GLU 10 HG2 GLU 10 -9.599 8.527 -6.438 77 2HG GLU 10 HG1 GLU 10 -7.846 8.329 -6.811 78 H ASN 11 HN ASN 11 -7.832 3.862 -3.965 79 HA ASN 11 HA ASN 11 -6.551 3.998 -1.598 80 1HB ASN 11 HB2 ASN 11 -8.149 5.685 -0.738 81 2HB ASN 11 HB1 ASN 11 -9.437 5.096 -1.849 82 1HD2 ASN 11 HD22 ASN 11 -11.073 4.232 -0.677 83 2HD2 ASN 11 HD21 ASN 11 -10.864 3.013 0.553 84 H CYS 12 HN CYS 12 -7.272 1.815 -0.845 85 HA CYS 12 HA CYS 12 -9.091 0.077 -1.405 86 1HB CYS 12 HB2 CYS 12 -6.998 -0.337 -3.637 87 2HB CYS 12 HB1 CYS 12 -8.198 -1.572 -3.122 88 H VAL 13 HN VAL 13 -6.967 -2.081 -1.979 89 HA VAL 13 HA VAL 13 -4.924 -1.468 -0.060 90 HB VAL 13 HB VAL 13 -4.680 -4.057 0.082 91 1HG1 VAL 13 HG11 VAL 13 -5.193 -2.709 2.060 92 2HG1 VAL 13 HG12 VAL 13 -6.235 -4.161 2.060 93 3HG1 VAL 13 HG13 VAL 13 -6.923 -2.557 1.581 94 1HG2 VAL 13 HG21 VAL 13 -6.414 -4.580 -1.689 95 2HG2 VAL 13 HG22 VAL 13 -7.703 -3.962 -0.577 96 3HG2 VAL 13 HG23 VAL 13 -6.714 -5.398 -0.122 97 H TYR 14 HN TYR 14 -2.894 -2.585 -1.092 98 HA TYR 14 HA TYR 14 -3.290 -2.984 -3.942 99 1HB TYR 14 HB2 TYR 14 -0.994 -2.100 -2.441 100 2HB TYR 14 HB1 TYR 14 -0.534 -3.667 -3.057 101 HD1 TYR 14 HD1 TYR 14 0.418 -0.766 -3.857 102 HD2 TYR 14 HD2 TYR 14 -2.142 -3.673 -5.749 103 HE1 TYR 14 HE1 TYR 14 0.849 0.267 -6.046 104 HE2 TYR 14 HE2 TYR 14 -1.738 -2.631 -7.908 105 HH TYR 14 HH TYR 14 -0.811 -0.847 -9.017 106 H HIS 15 HN HIS 15 -1.211 -5.236 -3.902 107 HA HIS 15 HA HIS 15 -2.344 -7.082 -2.032 108 1HB HIS 15 HB2 HIS 15 -2.246 -7.674 -5.064 109 2HB HIS 15 HB1 HIS 15 -2.034 -8.972 -3.843 110 HD1 HIS 15 HD1 HIS 15 -4.708 -6.574 -5.028 111 HD2 HIS 15 HD2 HIS 15 -4.265 -9.861 -2.453 112 HE1 HIS 15 HE1 HIS 15 -7.033 -7.319 -4.344 113 HE2 HIS 15 HE2 HIS 15 -6.712 -9.296 -2.783 114 H CYS 16 HN CYS 16 -0.485 -9.078 -2.604 115 HA CYS 16 HA CYS 16 2.025 -7.822 -2.958 116 1HB CYS 16 HB2 CYS 16 1.456 -7.749 -0.363 117 2HB CYS 16 HB1 CYS 16 1.339 -9.527 -0.436 118 H PHE 17 HN PHE 17 3.456 -10.126 -2.877 119 HA PHE 17 HA PHE 17 1.733 -12.290 -3.690 120 1HB PHE 17 HB2 PHE 17 4.501 -11.510 -4.883 121 2HB PHE 17 HB1 PHE 17 3.499 -12.936 -5.321 122 HD1 PHE 17 HD1 PHE 17 4.258 -9.511 -6.060 123 HD2 PHE 17 HD2 PHE 17 1.070 -12.386 -6.244 124 HE1 PHE 17 HE1 PHE 17 3.070 -8.089 -7.712 125 HE2 PHE 17 HE2 PHE 17 -0.118 -10.967 -7.870 126 HZ PHE 17 HZ PHE 17 0.876 -8.815 -8.614 127 HA PRO 18 HA PRO 18 4.230 -13.345 -0.076 128 1HB PRO 18 HB2 PRO 18 3.790 -16.098 -1.414 129 2HB PRO 18 HB1 PRO 18 3.882 -15.771 0.365 130 1HG PRO 18 HG1 PRO 18 1.449 -15.938 -0.903 131 2HG PRO 18 HG2 PRO 18 1.730 -14.627 0.316 132 1HD PRO 18 HD1 PRO 18 1.574 -14.363 -2.692 133 2HD PRO 18 HD2 PRO 18 1.300 -13.133 -1.389 134 H GLY 19 HN GLY 19 6.398 -12.976 0.021 135 1HA GLY 19 HA2 GLY 19 8.592 -13.951 -0.676 136 2HA GLY 19 HA1 GLY 19 7.971 -13.632 -2.357 137 H SER 20 HN SER 20 6.376 -11.448 -1.866 138 HA SER 20 HA SER 20 6.166 -9.397 -1.338 139 1HB SER 20 HB2 SER 20 8.969 -9.150 -0.141 140 2HB SER 20 HB1 SER 20 7.682 -7.889 -0.145 141 HG SER 20 HG SER 20 7.737 -10.387 1.145 142 H SER 21 HN SER 21 8.603 -10.606 -3.452 143 HA SER 21 HA SER 21 10.047 -8.608 -4.203 144 1HB SER 21 HB2 SER 21 8.725 -10.465 -6.265 145 2HB SER 21 HB1 SER 21 10.418 -9.835 -6.251 146 HG SER 21 HG SER 21 10.379 -11.948 -5.494 147 H GLY 22 HN GLY 22 6.750 -9.134 -5.581 148 1HA GLY 22 HA2 GLY 22 7.037 -6.938 -7.385 149 2HA GLY 22 HA1 GLY 22 5.554 -7.888 -7.018 150 H CYS 23 HN CYS 23 5.894 -7.293 -4.072 151 HA CYS 23 HA CYS 23 4.283 -4.895 -4.058 152 1HB CYS 23 HB2 CYS 23 3.589 -6.432 -2.415 153 2HB CYS 23 HB1 CYS 23 5.268 -6.911 -2.027 154 H ASP 24 HN ASP 24 7.527 -5.971 -2.979 155 HA ASP 24 HA ASP 24 8.452 -3.566 -1.987 156 1HB ASP 24 HB2 ASP 24 9.608 -5.830 -1.808 157 2HB ASP 24 HB1 ASP 24 10.064 -5.702 -3.536 158 H THR 25 HN THR 25 8.626 -4.875 -5.336 159 HA THR 25 HA THR 25 9.825 -2.677 -6.512 160 HB THR 25 HB THR 25 7.739 -4.497 -7.786 161 HG1 THR 25 HG1 THR 25 9.344 -5.798 -6.855 162 1HG2 THR 25 HG21 THR 25 10.166 -2.931 -8.936 163 2HG2 THR 25 HG22 THR 25 8.428 -2.546 -9.226 164 3HG2 THR 25 HG23 THR 25 9.127 -4.071 -9.870 165 H LEU 26 HN LEU 26 6.222 -3.305 -6.067 166 HA LEU 26 HA LEU 26 5.476 -0.939 -7.390 167 1HB LEU 26 HB2 LEU 26 4.051 -2.579 -5.227 168 2HB LEU 26 HB1 LEU 26 3.297 -1.164 -6.027 169 HG LEU 26 HG LEU 26 4.350 -3.560 -7.630 170 1HD1 LEU 26 HD11 LEU 26 2.651 -4.407 -6.053 171 2HD1 LEU 26 HD12 LEU 26 1.988 -4.363 -7.730 172 3HD1 LEU 26 HD13 LEU 26 1.503 -3.106 -6.530 173 1HD2 LEU 26 HD21 LEU 26 2.798 -2.676 -9.389 174 2HD2 LEU 26 HD22 LEU 26 4.079 -1.494 -8.959 175 3HD2 LEU 26 HD23 LEU 26 2.404 -1.269 -8.330 176 H CYS 27 HN CYS 27 6.138 -1.687 -3.981 177 HA CYS 27 HA CYS 27 5.533 0.768 -2.883 178 1HB CYS 27 HB2 CYS 27 6.197 -1.399 -1.649 179 2HB CYS 27 HB1 CYS 27 7.902 -1.000 -2.020 180 H LYS 28 HN LYS 28 8.602 -0.322 -4.468 181 HA LYS 28 HA LYS 28 10.087 1.963 -3.893 182 1HB LYS 28 HB2 LYS 28 10.217 0.062 -6.306 183 2HB LYS 28 HB1 LYS 28 11.369 1.420 -6.106 184 1HG LYS 28 HG2 LYS 28 11.065 -0.843 -4.050 185 2HG LYS 28 HG1 LYS 28 12.236 -0.830 -5.409 186 1HD LYS 28 HD2 LYS 28 13.178 1.351 -4.521 187 2HD LYS 28 HD1 LYS 28 12.126 1.181 -3.074 188 1HE LYS 28 HE2 LYS 28 14.301 -0.847 -3.983 189 2HE LYS 28 HE1 LYS 28 14.471 0.375 -2.655 190 1HZ LYS 28 HZ1 LYS 28 13.933 -1.728 -1.756 191 2HZ LYS 28 HZ2 LYS 28 12.558 -1.900 -2.742 192 3HZ LYS 28 HZ3 LYS 28 12.610 -0.691 -1.546 193 H GLU 29 HN GLU 29 8.083 1.239 -6.822 194 HA GLU 29 HA GLU 29 8.795 3.717 -7.994 195 1HB GLU 29 HB2 GLU 29 7.129 3.174 -9.758 196 2HB GLU 29 HB1 GLU 29 8.296 1.852 -9.430 197 1HG GLU 29 HG2 GLU 29 6.562 0.707 -8.004 198 2HG GLU 29 HG1 GLU 29 5.378 1.999 -8.405 199 H LYS 30 HN LYS 30 6.333 2.898 -5.655 200 HA LYS 30 HA LYS 30 4.869 5.366 -6.238 201 1HB LYS 30 HB2 LYS 30 4.489 3.267 -4.035 202 2HB LYS 30 HB1 LYS 30 3.474 4.731 -4.227 203 1HG LYS 30 HG2 LYS 30 3.734 2.437 -6.271 204 2HG LYS 30 HG1 LYS 30 2.381 2.677 -5.124 205 1HD LYS 30 HD2 LYS 30 3.155 4.514 -7.475 206 2HD LYS 30 HD1 LYS 30 1.779 3.364 -7.402 207 1HE LYS 30 HE2 LYS 30 0.719 4.698 -5.552 208 2HE LYS 30 HE1 LYS 30 2.094 5.874 -5.605 209 1HZ LYS 30 HZ1 LYS 30 0.231 6.661 -6.821 210 2HZ LYS 30 HZ2 LYS 30 0.201 5.291 -7.821 211 3HZ LYS 30 HZ3 LYS 30 1.519 6.363 -7.885 212 H GLY 31 HN GLY 31 7.744 4.522 -4.672 213 1HA GLY 31 HA2 GLY 31 9.104 6.123 -3.982 214 2HA GLY 31 HA1 GLY 31 7.722 7.192 -3.551 215 H GLY 32 HN GLY 32 7.867 3.792 -2.401 216 1HA GLY 32 HA2 GLY 32 8.554 4.813 0.280 217 2HA GLY 32 HA1 GLY 32 7.794 3.232 -0.183 218 H THR 33 HN THR 33 10.450 3.832 1.365 219 HA THR 33 HA THR 33 12.423 3.398 -0.649 220 HB THR 33 HB THR 33 13.934 3.218 1.474 221 HG1 THR 33 HG1 THR 33 12.380 2.862 3.005 222 1HG2 THR 33 HG21 THR 33 13.749 5.220 -0.030 223 2HG2 THR 33 HG22 THR 33 13.828 5.717 1.700 224 3HG2 THR 33 HG23 THR 33 12.252 5.745 0.830 225 H SER 34 HN SER 34 10.516 1.225 1.495 226 HA SER 34 HA SER 34 11.205 -0.839 -0.131 227 1HB SER 34 HB2 SER 34 12.358 -1.020 2.741 228 2HB SER 34 HB1 SER 34 11.991 -2.471 1.727 229 HG SER 34 HG SER 34 13.548 -0.387 0.661 230 H GLY 35 HN GLY 35 9.788 -2.845 1.084 231 1HA GLY 35 HA2 GLY 35 7.828 -1.999 2.817 232 2HA GLY 35 HA1 GLY 35 7.314 -1.988 1.048 233 H HIS 36 HN HIS 36 6.166 -4.164 2.422 234 HA HIS 36 HA HIS 36 7.569 -6.410 1.488 235 1HB HIS 36 HB2 HIS 36 7.152 -6.080 4.554 236 2HB HIS 36 HB1 HIS 36 7.653 -7.589 3.716 237 HD1 HIS 36 HD1 HIS 36 9.021 -4.350 5.008 238 HD2 HIS 36 HD2 HIS 36 10.368 -7.649 2.791 239 HE1 HIS 36 HE1 HIS 36 11.553 -4.219 4.922 240 HE2 HIS 36 HE2 HIS 36 12.322 -6.217 3.572 241 H CYS 37 HN CYS 37 5.834 -8.299 2.316 242 HA CYS 37 HA CYS 37 3.272 -7.180 1.777 243 1HB CYS 37 HB2 CYS 37 3.697 -9.904 3.128 244 2HB CYS 37 HB1 CYS 37 2.250 -9.335 2.230 245 H GLY 38 HN GLY 38 1.242 -7.470 3.261 246 1HA GLY 38 HA2 GLY 38 1.679 -7.998 5.948 247 2HA GLY 38 HA1 GLY 38 1.311 -6.239 5.579 248 H PHE 39 HN PHE 39 -0.815 -7.645 6.798 249 HA PHE 39 HA PHE 39 -2.615 -8.118 4.540 250 1HB PHE 39 HB2 PHE 39 -2.073 -10.228 6.074 251 2HB PHE 39 HB1 PHE 39 -2.928 -9.344 7.377 252 HD1 PHE 39 HD1 PHE 39 -3.217 -11.247 4.266 253 HD2 PHE 39 HD2 PHE 39 -5.409 -8.832 7.067 254 HE1 PHE 39 HE1 PHE 39 -5.330 -12.202 3.433 255 HE2 PHE 39 HE2 PHE 39 -7.523 -9.780 6.227 256 HZ PHE 39 HZ PHE 39 -7.494 -11.507 4.440 257 H LYS 40 HN LYS 40 -4.439 -6.687 4.735 258 HA LYS 40 HA LYS 40 -4.371 -4.966 7.122 259 1HB LYS 40 HB2 LYS 40 -3.913 -3.630 5.054 260 2HB LYS 40 HB1 LYS 40 -5.375 -4.331 4.284 261 1HG LYS 40 HG2 LYS 40 -5.748 -2.026 5.121 262 2HG LYS 40 HG1 LYS 40 -6.856 -3.211 5.890 263 1HD LYS 40 HD2 LYS 40 -5.471 -3.189 7.972 264 2HD LYS 40 HD1 LYS 40 -4.273 -2.120 7.171 265 1HE LYS 40 HE2 LYS 40 -5.713 -0.804 8.688 266 2HE LYS 40 HE1 LYS 40 -6.010 -0.306 6.974 267 1HZ LYS 40 HZ1 LYS 40 -8.042 -0.566 8.204 268 2HZ LYS 40 HZ2 LYS 40 -7.675 -2.182 8.580 269 3HZ LYS 40 HZ3 LYS 40 -7.958 -1.731 6.971 270 H VAL 41 HN VAL 41 -5.873 -5.861 8.451 271 HA VAL 41 HA VAL 41 -7.902 -7.509 7.407 272 HB VAL 41 HB VAL 41 -7.958 -6.402 10.240 273 1HG1 VAL 41 HG11 VAL 41 -9.782 -7.944 9.454 274 2HG1 VAL 41 HG12 VAL 41 -8.734 -8.770 10.665 275 3HG1 VAL 41 HG13 VAL 41 -8.552 -9.153 8.918 276 1HG2 VAL 41 HG21 VAL 41 -6.326 -8.248 10.852 277 2HG2 VAL 41 HG22 VAL 41 -5.558 -6.911 9.945 278 3HG2 VAL 41 HG23 VAL 41 -5.948 -8.471 9.113 279 H GLY 42 HN GLY 42 -10.043 -6.991 6.942 280 1HA GLY 42 HA2 GLY 42 -11.898 -5.513 7.236 281 2HA GLY 42 HA1 GLY 42 -10.734 -4.127 7.155 282 H HIS 43 HN HIS 43 -9.074 -5.874 5.186 283 HA HIS 43 HA HIS 43 -10.864 -5.645 2.849 284 1HB HIS 43 HB2 HIS 43 -8.046 -4.488 3.203 285 2HB HIS 43 HB1 HIS 43 -8.718 -4.908 1.584 286 HD1 HIS 43 HD1 HIS 43 -9.150 -2.755 0.533 287 HD2 HIS 43 HD2 HIS 43 -10.531 -2.750 4.495 288 HE1 HIS 43 HE1 HIS 43 -10.276 -0.525 0.930 289 HE2 HIS 43 HE2 HIS 43 -11.093 -0.563 3.336 290 H GLY 44 HN GLY 44 -7.353 -6.620 3.587 291 1HA GLY 44 HA2 GLY 44 -7.643 -9.241 3.256 292 2HA GLY 44 HA1 GLY 44 -7.694 -8.555 1.570 293 H LEU 45 HN LEU 45 -5.649 -9.676 1.297 294 HA LEU 45 HA LEU 45 -3.248 -9.012 2.555 295 1HB LEU 45 HB2 LEU 45 -3.694 -11.018 1.053 296 2HB LEU 45 HB1 LEU 45 -3.943 -9.889 -0.315 297 HG LEU 45 HG LEU 45 -1.503 -9.201 -0.120 298 1HD1 LEU 45 HD11 LEU 45 -1.268 -11.677 1.720 299 2HD1 LEU 45 HD12 LEU 45 -0.984 -9.964 2.221 300 3HD1 LEU 45 HD13 LEU 45 0.090 -10.748 1.008 301 1HD2 LEU 45 HD21 LEU 45 -2.349 -10.786 -1.839 302 2HD2 LEU 45 HD22 LEU 45 -2.150 -12.167 -0.697 303 3HD2 LEU 45 HD23 LEU 45 -0.708 -11.276 -1.283 304 H ALA 46 HN ALA 46 -1.679 -7.259 2.019 305 HA ALA 46 HA ALA 46 -2.622 -5.293 0.111 306 1HB ALA 46 HB1 ALA 46 -2.384 -3.459 1.871 307 2HB ALA 46 HB2 ALA 46 -2.109 -4.736 3.125 308 3HB ALA 46 HB3 ALA 46 -3.704 -4.600 2.315 309 H CYS 47 HN CYS 47 -0.510 -3.379 0.749 310 HA CYS 47 HA CYS 47 1.817 -5.210 0.923 311 1HB CYS 47 HB2 CYS 47 1.605 -4.787 -1.428 312 2HB CYS 47 HB1 CYS 47 1.137 -3.088 -1.158 313 H TRP 48 HN TRP 48 3.608 -3.915 2.055 314 HA TRP 48 HA TRP 48 2.396 -1.736 3.641 315 1HB TRP 48 HB2 TRP 48 2.805 -3.710 5.103 316 2HB TRP 48 HB1 TRP 48 4.468 -3.858 4.443 317 HD1 TRP 48 HD1 TRP 48 6.300 -2.094 5.323 318 HE1 TRP 48 HE1 TRP 48 6.368 -0.313 7.147 319 HE3 TRP 48 HE3 TRP 48 1.425 -2.364 6.735 320 HZ2 TRP 48 HZ2 TRP 48 4.551 0.712 9.136 321 HZ3 TRP 48 HZ3 TRP 48 0.642 -0.997 8.648 322 HH2 TRP 48 HH2 TRP 48 2.186 0.512 9.838 323 H CYS 49 HN CYS 49 3.944 0.107 3.994 324 HA CYS 49 HA CYS 49 6.357 -0.023 2.402 325 1HB CYS 49 HB2 CYS 49 3.995 1.886 1.927 326 2HB CYS 49 HB1 CYS 49 5.681 2.406 1.578 327 H ASN 50 HN ASN 50 7.852 1.558 3.178 328 HA ASN 50 HA ASN 50 6.911 3.101 5.498 329 1HB ASN 50 HB2 ASN 50 9.448 1.441 5.163 330 2HB ASN 50 HB1 ASN 50 9.635 3.067 5.896 331 1HD2 ASN 50 HD21 ASN 50 9.255 3.283 8.092 332 2HD2 ASN 50 HD22 ASN 50 8.437 2.114 9.070 333 H ALA 51 HN ALA 51 7.351 5.222 5.292 334 HA ALA 51 HA ALA 51 8.099 7.096 4.710 335 1HB ALA 51 HB1 ALA 51 10.439 6.253 4.771 336 2HB ALA 51 HB2 ALA 51 10.209 7.518 3.507 337 3HB ALA 51 HB3 ALA 51 10.301 5.779 3.037 338 H LEU 52 HN LEU 52 5.860 6.787 3.573 339 HA LEU 52 HA LEU 52 6.257 7.086 0.656 340 1HB LEU 52 HB2 LEU 52 3.690 6.631 2.277 341 2HB LEU 52 HB1 LEU 52 3.707 7.102 0.544 342 HG LEU 52 HG LEU 52 5.010 4.551 1.636 343 1HD1 LEU 52 HD11 LEU 52 2.551 4.470 1.956 344 2HD1 LEU 52 HD12 LEU 52 3.047 3.360 0.624 345 3HD1 LEU 52 HD13 LEU 52 2.284 4.944 0.233 346 1HD2 LEU 52 HD21 LEU 52 4.371 5.378 -1.285 347 2HD2 LEU 52 HD22 LEU 52 5.104 3.823 -0.746 348 3HD2 LEU 52 HD23 LEU 52 5.997 5.362 -0.534 349 HA PRO 53 HA PRO 53 5.637 11.329 1.951 350 1HB PRO 53 HB2 PRO 53 5.567 12.634 -0.532 351 2HB PRO 53 HB1 PRO 53 7.072 12.015 0.246 352 1HG PRO 53 HG1 PRO 53 5.404 10.694 -1.943 353 2HG PRO 53 HG2 PRO 53 7.201 10.841 -1.822 354 1HD PRO 53 HD1 PRO 53 5.748 8.552 -1.060 355 2HD PRO 53 HD2 PRO 53 7.312 9.012 -0.283 356 H ASP 54 HN ASP 54 4.107 13.174 1.545 357 HA ASP 54 HA ASP 54 1.622 12.349 2.221 358 1HB ASP 54 HB2 ASP 54 2.551 15.060 1.117 359 2HB ASP 54 HB1 ASP 54 0.980 14.793 1.966 360 H ASN 55 HN ASN 55 2.761 12.711 -1.058 361 HA ASN 55 HA ASN 55 0.136 13.346 -2.084 362 1HB ASN 55 HB2 ASN 55 1.228 13.259 -4.327 363 2HB ASN 55 HB1 ASN 55 2.064 14.391 -3.213 364 1HD2 ASN 55 HD22 ASN 55 2.705 11.973 -5.491 365 2HD2 ASN 55 HD21 ASN 55 4.258 11.459 -4.906 366 H VAL 56 HN VAL 56 1.597 10.539 -0.890 367 HA VAL 56 HA VAL 56 0.372 8.854 -2.959 368 HB VAL 56 HB VAL 56 2.121 7.921 -0.634 369 1HG1 VAL 56 HG11 VAL 56 0.817 6.166 -1.834 370 2HG1 VAL 56 HG12 VAL 56 2.550 6.034 -2.295 371 3HG1 VAL 56 HG13 VAL 56 1.382 6.789 -3.432 372 1HG2 VAL 56 HG21 VAL 56 3.483 9.626 -1.702 373 2HG2 VAL 56 HG22 VAL 56 3.013 9.089 -3.351 374 3HG2 VAL 56 HG23 VAL 56 4.053 8.044 -2.312 375 H GLY 57 HN GLY 57 -1.413 7.451 -2.223 376 1HA GLY 57 HA2 GLY 57 -2.386 8.219 0.442 377 2HA GLY 57 HA1 GLY 57 -3.415 8.072 -1.069 378 H ILE 58 HN ILE 58 -3.756 6.445 1.351 379 HA ILE 58 HA ILE 58 -2.563 3.897 0.572 380 HB ILE 58 HB ILE 58 -1.925 3.579 2.961 381 1HG1 ILE 58 HG12 ILE 58 -2.384 6.619 3.250 382 2HG1 ILE 58 HG11 ILE 58 -3.446 5.352 3.959 383 1HG2 ILE 58 HG21 ILE 58 -0.534 6.001 1.638 384 2HG2 ILE 58 HG22 ILE 58 -0.312 4.289 1.118 385 3HG2 ILE 58 HG23 ILE 58 0.191 4.800 2.761 386 1HD1 ILE 58 HD11 ILE 58 -0.457 5.798 4.592 387 2HD1 ILE 58 HD12 ILE 58 -1.453 4.421 5.201 388 3HD1 ILE 58 HD13 ILE 58 -1.866 6.117 5.666 389 H ILE 59 HN ILE 59 -3.642 2.915 3.236 390 HA ILE 59 HA ILE 59 -6.177 2.262 2.093 391 HB ILE 59 HB ILE 59 -5.478 1.622 4.988 392 1HG1 ILE 59 HG12 ILE 59 -3.480 0.971 3.849 393 2HG1 ILE 59 HG11 ILE 59 -4.452 -0.453 4.326 394 1HG2 ILE 59 HG21 ILE 59 -6.941 -0.345 4.480 395 2HG2 ILE 59 HG22 ILE 59 -7.155 0.226 2.782 396 3HG2 ILE 59 HG23 ILE 59 -7.808 1.190 4.147 397 1HD1 ILE 59 HD11 ILE 59 -5.312 -0.562 1.901 398 2HD1 ILE 59 HD12 ILE 59 -3.555 -0.916 2.120 399 3HD1 ILE 59 HD13 ILE 59 -4.083 0.680 1.498 400 H VAL 60 HN VAL 60 -7.846 3.642 2.177 401 HA VAL 60 HA VAL 60 -8.177 5.327 4.570 402 HB VAL 60 HB VAL 60 -9.425 5.568 1.785 403 1HG1 VAL 60 HG11 VAL 60 -9.417 7.460 4.208 404 2HG1 VAL 60 HG12 VAL 60 -10.819 6.473 3.629 405 3HG1 VAL 60 HG13 VAL 60 -10.144 7.776 2.576 406 1HG2 VAL 60 HG21 VAL 60 -7.034 7.055 3.071 407 2HG2 VAL 60 HG22 VAL 60 -7.850 7.535 1.536 408 3HG2 VAL 60 HG23 VAL 60 -6.980 5.971 1.626 409 H GLU 61 HN GLU 61 -9.167 3.855 5.936 410 HA GLU 61 HA GLU 61 -11.028 1.956 4.864 411 1HB GLU 61 HB2 GLU 61 -9.406 1.441 6.784 412 2HB GLU 61 HB1 GLU 61 -10.378 2.544 7.812 413 1HG GLU 61 HG2 GLU 61 -11.029 0.200 8.252 414 2HG GLU 61 HG1 GLU 61 -12.397 1.039 7.440 415 H GLY 62 HN GLY 62 -13.318 1.954 5.245 416 1HA GLY 62 HA2 GLY 62 -15.271 2.907 6.026 417 2HA GLY 62 HA1 GLY 62 -14.432 4.502 6.216 418 H GLU 63 HN GLU 63 -12.939 4.344 3.795 419 HA GLU 63 HA GLU 63 -14.977 5.321 2.024 420 1HB GLU 63 HB2 GLU 63 -12.828 6.559 2.391 421 2HB GLU 63 HB1 GLU 63 -11.927 5.164 1.729 422 1HG GLU 63 HG2 GLU 63 -11.972 6.839 0.043 423 2HG GLU 63 HG1 GLU 63 -13.082 5.547 -0.518 424 H LYS 64 HN LYS 64 -12.873 2.489 2.337 425 HA LYS 64 HA LYS 64 -13.308 0.451 1.572 426 1HB LYS 64 HB2 LYS 64 -15.685 1.047 1.047 427 2HB LYS 64 HB1 LYS 64 -15.168 1.357 -0.629 428 1HG LYS 64 HG2 LYS 64 -14.290 -1.082 -0.677 429 2HG LYS 64 HG1 LYS 64 -14.995 -1.289 0.962 430 1HD LYS 64 HD2 LYS 64 -17.260 -0.635 0.038 431 2HD LYS 64 HD1 LYS 64 -16.543 -0.517 -1.600 432 1HE LYS 64 HE2 LYS 64 -16.688 -3.079 0.142 433 2HE LYS 64 HE1 LYS 64 -17.742 -2.684 -1.278 434 1HZ LYS 64 HZ1 LYS 64 -15.757 -2.657 -2.653 435 2HZ LYS 64 HZ2 LYS 64 -15.988 -4.155 -1.887 436 3HZ LYS 64 HZ3 LYS 64 -14.796 -3.085 -1.317 437 H CYS 65 HN CYS 65 -13.674 1.075 -1.625 438 HA CYS 65 HA CYS 65 -10.784 1.026 -2.142 439 1HB CYS 65 HB2 CYS 65 -11.754 -1.331 -2.122 440 2HB CYS 65 HB1 CYS 65 -12.973 -0.822 -3.306 441 H HIS 66 HN HIS 66 -10.297 2.501 -3.744 442 HA HIS 66 HA HIS 66 -10.548 4.285 -4.895 443 1HB HIS 66 HB2 HIS 66 -12.951 2.952 -6.184 444 2HB HIS 66 HB1 HIS 66 -12.125 4.438 -6.793 445 HD1 HIS 66 HD1 HIS 66 -9.604 4.220 -7.435 446 HD2 HIS 66 HD2 HIS 66 -11.562 0.542 -6.949 447 HE1 HIS 66 HE1 HIS 66 -8.060 2.447 -8.319 448 HE2 HIS 66 HE2 HIS 66 -9.305 0.235 -8.090 449 H SER 67 HN SER 67 -13.289 5.384 -5.753 450 HA SER 67 HA SER 67 -13.593 7.118 -3.576 451 1HB SER 67 HB2 SER 67 -15.450 6.690 -5.998 452 2HB SER 67 HB1 SER 67 -15.335 8.168 -4.972 453 HG SER 67 HG SER 67 -14.146 8.360 -6.898 454 1HN NH2 68 H1 NH2 68 -13.986 4.830 -2.298 455 2HN NH2 68 H2 NH2 68 -15.641 4.598 -1.828 Start of MODEL 12 1 1H VAL 1 HT1 VAL 1 4.884 12.724 6.222 2 2H VAL 1 HT2 VAL 1 6.502 12.827 5.703 3 3H VAL 1 HT3 VAL 1 6.113 11.994 7.137 4 HA VAL 1 HA VAL 1 5.231 11.262 4.439 5 HB VAL 1 HB VAL 1 6.788 9.326 4.599 6 1HG1 VAL 1 HG11 VAL 1 8.165 12.071 4.946 7 2HG1 VAL 1 HG12 VAL 1 7.415 11.448 3.426 8 3HG1 VAL 1 HG13 VAL 1 8.839 10.612 4.138 9 1HG2 VAL 1 HG21 VAL 1 8.577 9.306 6.340 10 2HG2 VAL 1 HG22 VAL 1 6.957 9.076 7.076 11 3HG2 VAL 1 HG23 VAL 1 7.790 10.672 7.202 12 H ARG 2 HN ARG 2 4.966 8.439 4.898 13 HA ARG 2 HA ARG 2 3.518 8.167 7.364 14 1HB ARG 2 HB2 ARG 2 1.706 6.793 6.275 15 2HB ARG 2 HB1 ARG 2 1.546 8.528 5.933 16 1HG ARG 2 HG2 ARG 2 3.089 6.854 3.917 17 2HG ARG 2 HG1 ARG 2 1.336 6.562 4.027 18 1HD ARG 2 HD2 ARG 2 2.457 9.414 3.596 19 2HD ARG 2 HD1 ARG 2 2.155 8.250 2.257 20 HE ARG 2 HE ARG 2 -0.159 8.389 2.533 21 1HH1 ARG 2 HH21 ARG 2 1.442 10.419 5.022 22 2HH1 ARG 2 HH22 ARG 2 0.024 11.366 5.319 23 1HH2 ARG 2 HH11 ARG 2 -2.003 9.682 2.944 24 2HH2 ARG 2 HH12 ARG 2 -1.956 10.936 4.134 25 H ASP 3 HN ASP 3 3.226 5.679 7.664 26 HA ASP 3 HA ASP 3 4.850 4.083 5.934 27 1HB ASP 3 HB2 ASP 3 4.782 3.686 9.024 28 2HB ASP 3 HB1 ASP 3 5.732 2.751 7.820 29 H GLY 4 HN GLY 4 3.203 2.336 5.484 30 1HA GLY 4 HA2 GLY 4 1.214 1.943 7.412 31 2HA GLY 4 HA1 GLY 4 0.622 2.916 5.978 32 H TYR 5 HN TYR 5 -0.588 0.611 5.927 33 HA TYR 5 HA TYR 5 0.903 -1.232 4.285 34 1HB TYR 5 HB2 TYR 5 -2.082 -0.917 4.955 35 2HB TYR 5 HB1 TYR 5 -1.436 -2.204 3.872 36 HD1 TYR 5 HD1 TYR 5 -2.269 -1.308 7.228 37 HD2 TYR 5 HD2 TYR 5 0.491 -3.648 4.917 38 HE1 TYR 5 HE1 TYR 5 -1.816 -2.689 9.198 39 HE2 TYR 5 HE2 TYR 5 0.988 -5.030 6.908 40 HH TYR 5 HH TYR 5 -0.694 -4.531 10.027 41 H ILE 6 HN ILE 6 0.776 -1.052 1.917 42 HA ILE 6 HA ILE 6 -0.193 1.605 1.121 43 HB ILE 6 HB ILE 6 2.166 1.118 0.548 44 1HG1 ILE 6 HG12 ILE 6 0.189 1.896 -1.680 45 2HG1 ILE 6 HG11 ILE 6 0.924 2.964 -0.446 46 1HG2 ILE 6 HG21 ILE 6 1.832 -1.247 -0.076 47 2HG2 ILE 6 HG22 ILE 6 2.656 -0.334 -1.386 48 3HG2 ILE 6 HG23 ILE 6 0.918 -0.771 -1.560 49 1HD1 ILE 6 HD11 ILE 6 2.395 1.506 -2.742 50 2HD1 ILE 6 HD12 ILE 6 3.199 2.522 -1.488 51 3HD1 ILE 6 HD13 ILE 6 2.026 3.262 -2.634 52 H ALA 7 HN ALA 7 -1.640 1.839 -0.487 53 HA ALA 7 HA ALA 7 -3.259 -0.457 -1.211 54 1HB ALA 7 HB1 ALA 7 -5.128 1.201 -1.577 55 2HB ALA 7 HB2 ALA 7 -4.008 2.561 -1.174 56 3HB ALA 7 HB3 ALA 7 -4.535 1.384 0.073 57 H GLN 8 HN GLN 8 -4.546 1.402 -3.181 58 HA GLN 8 HA GLN 8 -2.457 2.154 -4.972 59 1HB GLN 8 HB2 GLN 8 -4.765 1.655 -6.583 60 2HB GLN 8 HB1 GLN 8 -3.255 0.705 -6.668 61 1HG GLN 8 HG2 GLN 8 -4.098 -1.086 -5.359 62 2HG GLN 8 HG1 GLN 8 -5.391 -0.098 -4.628 63 1HE2 GLN 8 HE21 GLN 8 -4.566 -2.080 -7.388 64 2HE2 GLN 8 HE22 GLN 8 -6.089 -1.938 -8.207 65 HA PRO 9 HA PRO 9 -5.154 5.366 -3.635 66 1HB PRO 9 HB2 PRO 9 -5.101 7.249 -5.746 67 2HB PRO 9 HB1 PRO 9 -3.732 6.966 -4.607 68 1HG PRO 9 HG1 PRO 9 -4.146 5.730 -7.383 69 2HG PRO 9 HG2 PRO 9 -2.656 6.535 -6.735 70 1HD PRO 9 HD1 PRO 9 -2.951 3.795 -6.705 71 2HD PRO 9 HD2 PRO 9 -2.208 4.638 -5.265 72 H GLU 10 HN GLU 10 -8.479 5.219 -5.002 73 HA GLU 10 HA GLU 10 -6.759 7.191 -3.782 74 1HB GLU 10 HB2 GLU 10 -9.754 6.793 -3.510 75 2HB GLU 10 HB1 GLU 10 -8.790 8.100 -2.748 76 1HG GLU 10 HG2 GLU 10 -9.091 7.646 -5.789 77 2HG GLU 10 HG1 GLU 10 -9.908 8.914 -4.802 78 H ASN 11 HN ASN 11 -8.531 4.117 -2.966 79 HA ASN 11 HA ASN 11 -7.090 3.785 -0.618 80 1HB ASN 11 HB2 ASN 11 -9.090 5.161 0.304 81 2HB ASN 11 HB1 ASN 11 -10.206 4.126 -0.661 82 1HD2 ASN 11 HD22 ASN 11 -11.296 3.417 1.335 83 2HD2 ASN 11 HD21 ASN 11 -10.438 2.562 2.613 84 H CYS 12 HN CYS 12 -7.234 1.463 -0.587 85 HA CYS 12 HA CYS 12 -9.083 -0.258 -1.423 86 1HB CYS 12 HB2 CYS 12 -7.039 0.312 -3.649 87 2HB CYS 12 HB1 CYS 12 -7.745 -1.333 -3.462 88 H VAL 13 HN VAL 13 -6.821 -2.186 -2.191 89 HA VAL 13 HA VAL 13 -4.780 -1.532 -0.338 90 HB VAL 13 HB VAL 13 -4.424 -4.048 0.018 91 1HG1 VAL 13 HG11 VAL 13 -4.908 -2.715 1.943 92 2HG1 VAL 13 HG12 VAL 13 -5.979 -4.139 2.033 93 3HG1 VAL 13 HG13 VAL 13 -6.645 -2.535 1.502 94 1HG2 VAL 13 HG21 VAL 13 -6.086 -4.931 -1.581 95 2HG2 VAL 13 HG22 VAL 13 -7.442 -4.200 -0.620 96 3HG2 VAL 13 HG23 VAL 13 -6.411 -5.499 0.087 97 H TYR 14 HN TYR 14 -2.868 -2.841 -1.401 98 HA TYR 14 HA TYR 14 -3.429 -3.236 -4.242 99 1HB TYR 14 HB2 TYR 14 -1.102 -2.116 -2.838 100 2HB TYR 14 HB1 TYR 14 -0.587 -3.655 -3.588 101 HD1 TYR 14 HD1 TYR 14 0.124 -0.645 -4.168 102 HD2 TYR 14 HD2 TYR 14 -2.254 -3.627 -6.163 103 HE1 TYR 14 HE1 TYR 14 0.512 0.482 -6.312 104 HE2 TYR 14 HE2 TYR 14 -1.857 -2.509 -8.306 105 HH TYR 14 HH TYR 14 -0.841 -0.759 -9.382 106 H HIS 15 HN HIS 15 -1.407 -5.487 -4.430 107 HA HIS 15 HA HIS 15 -2.174 -7.160 -2.200 108 1HB HIS 15 HB2 HIS 15 -2.645 -7.945 -5.147 109 2HB HIS 15 HB1 HIS 15 -2.444 -9.137 -3.807 110 HD1 HIS 15 HD1 HIS 15 -5.117 -7.482 -5.519 111 HD2 HIS 15 HD2 HIS 15 -4.354 -8.456 -1.509 112 HE1 HIS 15 HE1 HIS 15 -7.338 -7.446 -4.297 113 HE2 HIS 15 HE2 HIS 15 -6.829 -8.039 -1.883 114 H CYS 16 HN CYS 16 -0.513 -8.869 -2.034 115 HA CYS 16 HA CYS 16 1.967 -7.963 -3.241 116 1HB CYS 16 HB2 CYS 16 1.634 -7.153 -0.782 117 2HB CYS 16 HB1 CYS 16 1.526 -8.860 -0.312 118 H PHE 17 HN PHE 17 3.483 -9.857 -3.196 119 HA PHE 17 HA PHE 17 1.964 -12.320 -3.549 120 1HB PHE 17 HB2 PHE 17 4.666 -11.464 -4.808 121 2HB PHE 17 HB1 PHE 17 3.689 -12.920 -5.201 122 HD1 PHE 17 HD1 PHE 17 1.576 -12.652 -6.530 123 HD2 PHE 17 HD2 PHE 17 4.018 -9.246 -5.572 124 HE1 PHE 17 HE1 PHE 17 0.349 -11.302 -8.194 125 HE2 PHE 17 HE2 PHE 17 2.767 -7.888 -7.220 126 HZ PHE 17 HZ PHE 17 0.936 -8.914 -8.536 127 HA PRO 18 HA PRO 18 4.307 -12.506 0.284 128 1HB PRO 18 HB2 PRO 18 3.821 -15.516 -0.119 129 2HB PRO 18 HB1 PRO 18 3.771 -14.591 1.439 130 1HG PRO 18 HG1 PRO 18 1.439 -15.136 0.128 131 2HG PRO 18 HG2 PRO 18 1.719 -13.452 0.744 132 1HD PRO 18 HD1 PRO 18 2.011 -14.478 -2.127 133 2HD PRO 18 HD2 PRO 18 1.360 -12.894 -1.503 134 H GLY 19 HN GLY 19 6.471 -12.010 0.087 135 1HA GLY 19 HA2 GLY 19 8.618 -13.480 -0.285 136 2HA GLY 19 HA1 GLY 19 7.938 -13.311 -1.978 137 H SER 20 HN SER 20 6.583 -11.071 -1.883 138 HA SER 20 HA SER 20 6.371 -8.989 -1.161 139 1HB SER 20 HB2 SER 20 9.374 -8.476 -0.945 140 2HB SER 20 HB1 SER 20 8.018 -7.368 -0.492 141 HG SER 20 HG SER 20 8.793 -9.846 0.606 142 H SER 21 HN SER 21 8.747 -10.287 -3.434 143 HA SER 21 HA SER 21 9.864 -8.367 -4.534 144 1HB SER 21 HB2 SER 21 8.667 -10.616 -6.244 145 2HB SER 21 HB1 SER 21 10.297 -9.847 -6.392 146 HG SER 21 HG SER 21 10.498 -11.775 -5.290 147 H GLY 22 HN GLY 22 6.626 -9.301 -5.898 148 1HA GLY 22 HA2 GLY 22 6.832 -7.378 -7.947 149 2HA GLY 22 HA1 GLY 22 5.353 -8.235 -7.395 150 H CYS 23 HN CYS 23 5.383 -7.185 -4.617 151 HA CYS 23 HA CYS 23 4.219 -4.628 -5.442 152 1HB CYS 23 HB2 CYS 23 2.877 -6.332 -4.103 153 2HB CYS 23 HB1 CYS 23 3.893 -5.877 -2.690 154 H ASP 24 HN ASP 24 6.903 -6.021 -3.618 155 HA ASP 24 HA ASP 24 7.791 -3.680 -2.392 156 1HB ASP 24 HB2 ASP 24 8.748 -6.035 -2.119 157 2HB ASP 24 HB1 ASP 24 9.565 -5.847 -3.704 158 H THR 25 HN THR 25 8.194 -4.928 -5.772 159 HA THR 25 HA THR 25 9.697 -2.769 -6.687 160 HB THR 25 HB THR 25 7.618 -4.299 -8.302 161 HG1 THR 25 HG1 THR 25 9.068 -5.776 -7.286 162 1HG2 THR 25 HG21 THR 25 9.180 -3.800 -10.211 163 2HG2 THR 25 HG22 THR 25 10.283 -2.920 -9.092 164 3HG2 THR 25 HG23 THR 25 8.639 -2.270 -9.444 165 H LEU 26 HN LEU 26 6.072 -3.218 -6.624 166 HA LEU 26 HA LEU 26 5.418 -0.818 -7.814 167 1HB LEU 26 HB2 LEU 26 3.919 -2.367 -5.637 168 2HB LEU 26 HB1 LEU 26 3.235 -0.947 -6.467 169 HG LEU 26 HG LEU 26 4.162 -3.449 -7.983 170 1HD1 LEU 26 HD11 LEU 26 1.358 -2.733 -6.918 171 2HD1 LEU 26 HD12 LEU 26 2.366 -4.138 -6.442 172 3HD1 LEU 26 HD13 LEU 26 1.711 -4.036 -8.112 173 1HD2 LEU 26 HD21 LEU 26 2.705 -2.527 -9.805 174 2HD2 LEU 26 HD22 LEU 26 4.036 -1.393 -9.391 175 3HD2 LEU 26 HD23 LEU 26 2.370 -1.066 -8.798 176 H CYS 27 HN CYS 27 5.938 -1.585 -4.362 177 HA CYS 27 HA CYS 27 5.446 0.869 -3.246 178 1HB CYS 27 HB2 CYS 27 5.992 -1.304 -2.027 179 2HB CYS 27 HB1 CYS 27 7.713 -1.055 -2.440 180 H LYS 28 HN LYS 28 8.518 -0.307 -4.773 181 HA LYS 28 HA LYS 28 9.963 2.001 -3.988 182 1HB LYS 28 HB2 LYS 28 10.520 -0.075 -6.176 183 2HB LYS 28 HB1 LYS 28 11.678 1.225 -5.730 184 1HG LYS 28 HG2 LYS 28 10.641 -0.868 -3.728 185 2HG LYS 28 HG1 LYS 28 12.130 -1.068 -4.709 186 1HD LYS 28 HD2 LYS 28 13.158 0.903 -3.628 187 2HD LYS 28 HD1 LYS 28 11.632 1.278 -2.762 188 1HE LYS 28 HE2 LYS 28 13.314 0.192 -1.267 189 2HE LYS 28 HE1 LYS 28 11.789 -0.770 -1.404 190 1HZ LYS 28 HZ1 LYS 28 13.821 -2.079 -1.502 191 2HZ LYS 28 HZ2 LYS 28 14.278 -1.303 -2.943 192 3HZ LYS 28 HZ3 LYS 28 12.862 -2.250 -2.892 193 H GLU 29 HN GLU 29 8.209 1.127 -7.008 194 HA GLU 29 HA GLU 29 9.231 3.439 -8.346 195 1HB GLU 29 HB2 GLU 29 7.755 2.898 -10.219 196 2HB GLU 29 HB1 GLU 29 8.682 1.462 -9.667 197 1HG GLU 29 HG2 GLU 29 6.659 0.703 -8.369 198 2HG GLU 29 HG1 GLU 29 5.705 2.067 -9.053 199 H LYS 30 HN LYS 30 6.363 2.802 -6.346 200 HA LYS 30 HA LYS 30 5.115 5.306 -7.030 201 1HB LYS 30 HB2 LYS 30 4.694 3.221 -4.851 202 2HB LYS 30 HB1 LYS 30 4.144 4.894 -4.518 203 1HG LYS 30 HG2 LYS 30 2.277 3.647 -5.365 204 2HG LYS 30 HG1 LYS 30 2.741 4.958 -6.500 205 1HD LYS 30 HD2 LYS 30 3.891 3.207 -7.961 206 2HD LYS 30 HD1 LYS 30 3.327 1.940 -6.822 207 1HE LYS 30 HE2 LYS 30 1.837 2.049 -8.807 208 2HE LYS 30 HE1 LYS 30 0.930 2.560 -7.328 209 1HZ LYS 30 HZ1 LYS 30 2.129 4.343 -9.387 210 2HZ LYS 30 HZ2 LYS 30 1.365 4.855 -7.962 211 3HZ LYS 30 HZ3 LYS 30 0.483 4.012 -9.143 212 H GLY 31 HN GLY 31 7.117 4.101 -4.239 213 1HA GLY 31 HA2 GLY 31 9.110 5.466 -4.142 214 2HA GLY 31 HA1 GLY 31 8.043 6.906 -3.949 215 H GLY 32 HN GLY 32 7.895 3.566 -2.476 216 1HA GLY 32 HA2 GLY 32 8.412 4.857 0.129 217 2HA GLY 32 HA1 GLY 32 7.499 3.312 -0.177 218 H THR 33 HN THR 33 10.321 4.076 1.144 219 HA THR 33 HA THR 33 12.093 2.885 -0.830 220 HB THR 33 HB THR 33 13.808 3.927 0.831 221 HG1 THR 33 HG1 THR 33 12.525 4.286 2.581 222 1HG2 THR 33 HG21 THR 33 13.171 4.913 -1.394 223 2HG2 THR 33 HG22 THR 33 13.362 6.205 -0.153 224 3HG2 THR 33 HG23 THR 33 11.715 5.679 -0.660 225 H SER 34 HN SER 34 10.163 1.479 1.387 226 HA SER 34 HA SER 34 11.811 -0.743 1.381 227 1HB SER 34 HB2 SER 34 11.051 0.451 4.152 228 2HB SER 34 HB1 SER 34 11.639 -1.232 3.889 229 HG SER 34 HG SER 34 13.227 0.752 2.770 230 H GLY 35 HN GLY 35 10.088 -2.596 2.158 231 1HA GLY 35 HA2 GLY 35 7.457 -1.835 2.276 232 2HA GLY 35 HA1 GLY 35 8.028 -2.226 0.572 233 H HIS 36 HN HIS 36 6.350 -4.200 1.709 234 HA HIS 36 HA HIS 36 7.938 -6.432 2.072 235 1HB HIS 36 HB2 HIS 36 6.332 -5.414 4.543 236 2HB HIS 36 HB1 HIS 36 7.019 -7.064 4.365 237 HD1 HIS 36 HD1 HIS 36 7.981 -3.576 5.301 238 HD2 HIS 36 HD2 HIS 36 9.784 -7.338 4.847 239 HE1 HIS 36 HE1 HIS 36 10.267 -3.449 6.388 240 HE2 HIS 36 HE2 HIS 36 11.321 -5.738 6.097 241 H CYS 37 HN CYS 37 5.657 -7.850 3.197 242 HA CYS 37 HA CYS 37 3.439 -6.951 1.483 243 1HB CYS 37 HB2 CYS 37 3.868 -9.709 2.811 244 2HB CYS 37 HB1 CYS 37 2.397 -9.204 1.926 245 H GLY 38 HN GLY 38 1.191 -7.665 2.893 246 1HA GLY 38 HA2 GLY 38 1.502 -7.335 5.636 247 2HA GLY 38 HA1 GLY 38 1.111 -5.784 4.738 248 H PHE 39 HN PHE 39 -1.088 -6.488 6.214 249 HA PHE 39 HA PHE 39 -2.868 -7.590 4.294 250 1HB PHE 39 HB2 PHE 39 -2.096 -9.551 5.936 251 2HB PHE 39 HB1 PHE 39 -2.786 -8.566 7.262 252 HD1 PHE 39 HD1 PHE 39 -5.304 -8.139 7.253 253 HD2 PHE 39 HD2 PHE 39 -3.445 -10.868 4.505 254 HE1 PHE 39 HE1 PHE 39 -7.495 -9.208 6.821 255 HE2 PHE 39 HE2 PHE 39 -5.632 -11.917 4.061 256 HZ PHE 39 HZ PHE 39 -7.666 -11.092 5.225 257 H LYS 40 HN LYS 40 -4.930 -6.366 4.843 258 HA LYS 40 HA LYS 40 -4.623 -4.714 7.254 259 1HB LYS 40 HB2 LYS 40 -4.061 -3.319 5.178 260 2HB LYS 40 HB1 LYS 40 -5.761 -3.529 4.659 261 1HG LYS 40 HG2 LYS 40 -4.863 -2.353 7.395 262 2HG LYS 40 HG1 LYS 40 -5.089 -1.366 5.928 263 1HD LYS 40 HD2 LYS 40 -7.518 -2.148 5.813 264 2HD LYS 40 HD1 LYS 40 -7.283 -2.889 7.438 265 1HE LYS 40 HE2 LYS 40 -6.654 -0.645 8.384 266 2HE LYS 40 HE1 LYS 40 -6.929 0.112 6.764 267 1HZ LYS 40 HZ1 LYS 40 -9.210 -0.531 6.869 268 2HZ LYS 40 HZ2 LYS 40 -8.802 0.304 8.287 269 3HZ LYS 40 HZ3 LYS 40 -8.982 -1.384 8.319 270 H VAL 41 HN VAL 41 -6.273 -5.443 8.527 271 HA VAL 41 HA VAL 41 -8.186 -7.126 7.326 272 HB VAL 41 HB VAL 41 -8.406 -6.130 10.192 273 1HG1 VAL 41 HG11 VAL 41 -10.213 -7.611 9.228 274 2HG1 VAL 41 HG12 VAL 41 -9.264 -8.492 10.478 275 3HG1 VAL 41 HG13 VAL 41 -8.966 -8.819 8.737 276 1HG2 VAL 41 HG21 VAL 41 -6.852 -7.988 10.854 277 2HG2 VAL 41 HG22 VAL 41 -6.001 -6.686 9.972 278 3HG2 VAL 41 HG23 VAL 41 -6.403 -8.238 9.133 279 H GLY 42 HN GLY 42 -10.184 -6.574 6.568 280 1HA GLY 42 HA2 GLY 42 -12.155 -5.194 6.976 281 2HA GLY 42 HA1 GLY 42 -11.011 -3.780 6.963 282 H HIS 43 HN HIS 43 -9.155 -5.148 5.067 283 HA HIS 43 HA HIS 43 -10.834 -4.967 2.636 284 1HB HIS 43 HB2 HIS 43 -7.907 -4.189 3.115 285 2HB HIS 43 HB1 HIS 43 -8.630 -4.407 1.481 286 HD1 HIS 43 HD1 HIS 43 -9.081 -2.190 0.506 287 HD2 HIS 43 HD2 HIS 43 -9.753 -2.127 4.648 288 HE1 HIS 43 HE1 HIS 43 -9.768 0.162 1.107 289 HE2 HIS 43 HE2 HIS 43 -10.125 0.176 3.623 290 H GLY 44 HN GLY 44 -7.540 -6.345 3.640 291 1HA GLY 44 HA2 GLY 44 -8.007 -8.927 3.444 292 2HA GLY 44 HA1 GLY 44 -8.007 -8.382 1.702 293 H LEU 45 HN LEU 45 -5.921 -9.392 1.295 294 HA LEU 45 HA LEU 45 -3.693 -8.778 2.914 295 1HB LEU 45 HB2 LEU 45 -4.102 -10.880 1.519 296 2HB LEU 45 HB1 LEU 45 -3.646 -9.933 0.069 297 HG LEU 45 HG LEU 45 -1.747 -9.949 2.453 298 1HD1 LEU 45 HD11 LEU 45 -2.432 -12.326 2.378 299 2HD1 LEU 45 HD12 LEU 45 -0.737 -12.124 1.811 300 3HD1 LEU 45 HD13 LEU 45 -2.053 -12.402 0.615 301 1HD2 LEU 45 HD21 LEU 45 -1.142 -8.704 0.333 302 2HD2 LEU 45 HD22 LEU 45 -1.234 -10.255 -0.578 303 3HD2 LEU 45 HD23 LEU 45 0.008 -10.036 0.711 304 H ALA 46 HN ALA 46 -1.805 -7.293 2.219 305 HA ALA 46 HA ALA 46 -2.704 -5.232 0.352 306 1HB ALA 46 HB1 ALA 46 -2.229 -3.450 2.062 307 2HB ALA 46 HB2 ALA 46 -1.794 -4.716 3.278 308 3HB ALA 46 HB3 ALA 46 -3.491 -4.550 2.711 309 H CYS 47 HN CYS 47 -0.450 -3.456 0.843 310 HA CYS 47 HA CYS 47 1.748 -5.402 1.156 311 1HB CYS 47 HB2 CYS 47 2.352 -3.043 -0.607 312 2HB CYS 47 HB1 CYS 47 3.150 -4.624 -0.465 313 H TRP 48 HN TRP 48 3.784 -3.633 1.647 314 HA TRP 48 HA TRP 48 2.634 -1.687 3.491 315 1HB TRP 48 HB2 TRP 48 3.106 -3.634 4.950 316 2HB TRP 48 HB1 TRP 48 4.652 -3.930 4.092 317 HD1 TRP 48 HD1 TRP 48 6.716 -2.286 4.664 318 HE1 TRP 48 HE1 TRP 48 7.195 -0.586 6.485 319 HE3 TRP 48 HE3 TRP 48 2.097 -2.235 6.772 320 HZ2 TRP 48 HZ2 TRP 48 5.752 0.535 8.747 321 HZ3 TRP 48 HZ3 TRP 48 1.683 -0.844 8.772 322 HH2 TRP 48 HH2 TRP 48 3.490 0.534 9.742 323 H CYS 49 HN CYS 49 4.196 0.103 3.786 324 HA CYS 49 HA CYS 49 6.563 0.022 2.182 325 1HB CYS 49 HB2 CYS 49 4.306 2.075 1.752 326 2HB CYS 49 HB1 CYS 49 6.014 2.415 1.327 327 H ASN 50 HN ASN 50 8.039 1.608 3.044 328 HA ASN 50 HA ASN 50 7.007 3.150 5.352 329 1HB ASN 50 HB2 ASN 50 9.836 2.030 4.821 330 2HB ASN 50 HB1 ASN 50 9.543 3.378 5.964 331 1HD2 ASN 50 HD22 ASN 50 8.528 2.973 7.997 332 2HD2 ASN 50 HD21 ASN 50 8.372 1.360 8.614 333 H ALA 51 HN ALA 51 7.322 5.328 5.181 334 HA ALA 51 HA ALA 51 7.923 7.252 4.591 335 1HB ALA 51 HB1 ALA 51 10.450 6.106 3.319 336 2HB ALA 51 HB2 ALA 51 10.263 6.616 5.042 337 3HB ALA 51 HB3 ALA 51 10.137 7.832 3.720 338 H LEU 52 HN LEU 52 5.943 6.646 3.237 339 HA LEU 52 HA LEU 52 6.490 7.095 0.395 340 1HB LEU 52 HB2 LEU 52 3.889 6.694 1.958 341 2HB LEU 52 HB1 LEU 52 3.904 7.229 0.247 342 HG LEU 52 HG LEU 52 5.296 4.654 1.130 343 1HD1 LEU 52 HD11 LEU 52 2.348 4.999 0.275 344 2HD1 LEU 52 HD12 LEU 52 2.946 4.499 1.908 345 3HD1 LEU 52 HD13 LEU 52 3.201 3.425 0.490 346 1HD2 LEU 52 HD21 LEU 52 5.762 5.665 -1.181 347 2HD2 LEU 52 HD22 LEU 52 4.047 5.402 -1.599 348 3HD2 LEU 52 HD23 LEU 52 5.097 3.997 -1.214 349 HA PRO 53 HA PRO 53 5.865 11.410 1.446 350 1HB PRO 53 HB2 PRO 53 4.722 11.486 -1.418 351 2HB PRO 53 HB1 PRO 53 5.854 12.676 -0.659 352 1HG PRO 53 HG1 PRO 53 6.802 10.790 -2.388 353 2HG PRO 53 HG2 PRO 53 7.696 11.050 -0.831 354 1HD PRO 53 HD1 PRO 53 5.638 8.853 -1.482 355 2HD PRO 53 HD2 PRO 53 7.236 8.718 -0.655 356 H ASP 54 HN ASP 54 4.021 13.061 1.604 357 HA ASP 54 HA ASP 54 1.880 11.681 2.719 358 1HB ASP 54 HB2 ASP 54 2.215 14.661 2.028 359 2HB ASP 54 HB1 ASP 54 0.957 14.003 3.153 360 H ASN 55 HN ASN 55 2.352 12.897 -0.493 361 HA ASN 55 HA ASN 55 -0.428 13.290 -1.086 362 1HB ASN 55 HB2 ASN 55 0.431 13.612 -3.469 363 2HB ASN 55 HB1 ASN 55 1.179 14.713 -2.265 364 1HD2 ASN 55 HD22 ASN 55 1.908 12.291 -4.700 365 2HD2 ASN 55 HD21 ASN 55 3.591 12.112 -4.318 366 H VAL 56 HN VAL 56 1.302 10.486 -0.514 367 HA VAL 56 HA VAL 56 0.074 9.031 -2.736 368 HB VAL 56 HB VAL 56 1.887 7.933 -0.525 369 1HG1 VAL 56 HG11 VAL 56 2.260 6.143 -2.281 370 2HG1 VAL 56 HG12 VAL 56 1.065 6.951 -3.354 371 3HG1 VAL 56 HG13 VAL 56 0.539 6.247 -1.777 372 1HG2 VAL 56 HG21 VAL 56 3.759 8.184 -2.194 373 2HG2 VAL 56 HG22 VAL 56 3.152 9.755 -1.613 374 3HG2 VAL 56 HG23 VAL 56 2.681 9.184 -3.245 375 H GLY 57 HN GLY 57 -1.832 7.811 -2.286 376 1HA GLY 57 HA2 GLY 57 -2.818 8.079 0.459 377 2HA GLY 57 HA1 GLY 57 -3.762 7.749 -1.068 378 H ILE 58 HN ILE 58 -3.879 6.048 1.308 379 HA ILE 58 HA ILE 58 -2.523 3.665 0.415 380 HB ILE 58 HB ILE 58 -1.644 3.259 2.687 381 1HG1 ILE 58 HG12 ILE 58 -2.127 6.259 3.237 382 2HG1 ILE 58 HG11 ILE 58 -3.169 4.955 3.903 383 1HG2 ILE 58 HG21 ILE 58 -0.320 4.275 0.693 384 2HG2 ILE 58 HG22 ILE 58 0.406 4.467 2.328 385 3HG2 ILE 58 HG23 ILE 58 -0.434 5.853 1.542 386 1HD1 ILE 58 HD11 ILE 58 -1.420 5.669 5.541 387 2HD1 ILE 58 HD12 ILE 58 -0.128 5.161 4.390 388 3HD1 ILE 58 HD13 ILE 58 -1.248 3.933 5.072 389 H ILE 59 HN ILE 59 -3.310 2.433 3.073 390 HA ILE 59 HA ILE 59 -6.028 2.022 2.297 391 HB ILE 59 HB ILE 59 -5.178 0.974 4.985 392 1HG1 ILE 59 HG12 ILE 59 -3.146 0.512 3.875 393 2HG1 ILE 59 HG11 ILE 59 -4.103 -0.990 4.052 394 1HG2 ILE 59 HG21 ILE 59 -6.468 -1.021 4.029 395 2HG2 ILE 59 HG22 ILE 59 -6.781 -0.059 2.543 396 3HG2 ILE 59 HG23 ILE 59 -7.426 0.497 4.130 397 1HD1 ILE 59 HD11 ILE 59 -3.413 0.531 1.530 398 2HD1 ILE 59 HD12 ILE 59 -4.839 -0.566 1.550 399 3HD1 ILE 59 HD13 ILE 59 -3.181 -1.202 1.898 400 H VAL 60 HN VAL 60 -7.863 2.629 3.457 401 HA VAL 60 HA VAL 60 -7.743 4.451 5.646 402 HB VAL 60 HB VAL 60 -8.605 5.025 2.724 403 1HG1 VAL 60 HG11 VAL 60 -10.565 5.647 3.973 404 2HG1 VAL 60 HG12 VAL 60 -9.681 7.140 3.518 405 3HG1 VAL 60 HG13 VAL 60 -9.583 6.527 5.219 406 1HG2 VAL 60 HG21 VAL 60 -6.795 6.582 4.671 407 2HG2 VAL 60 HG22 VAL 60 -7.315 7.167 3.045 408 3HG2 VAL 60 HG23 VAL 60 -6.303 5.693 3.179 409 H GLU 61 HN GLU 61 -10.390 4.362 6.243 410 HA GLU 61 HA GLU 61 -11.893 2.791 4.556 411 1HB GLU 61 HB2 GLU 61 -10.808 0.894 5.739 412 2HB GLU 61 HB1 GLU 61 -11.275 1.594 7.341 413 1HG GLU 61 HG2 GLU 61 -13.681 1.205 6.791 414 2HG GLU 61 HG1 GLU 61 -13.248 0.697 5.114 415 H GLY 62 HN GLY 62 -14.118 3.220 5.470 416 1HA GLY 62 HA2 GLY 62 -15.335 4.720 7.027 417 2HA GLY 62 HA1 GLY 62 -14.020 5.920 6.617 418 H GLU 63 HN GLU 63 -13.360 5.129 4.191 419 HA GLU 63 HA GLU 63 -15.705 5.036 2.438 420 1HB GLU 63 HB2 GLU 63 -13.703 6.733 1.996 421 2HB GLU 63 HB1 GLU 63 -12.733 5.303 1.593 422 1HG GLU 63 HG2 GLU 63 -13.567 6.363 -0.461 423 2HG GLU 63 HG1 GLU 63 -14.398 4.780 -0.297 424 H LYS 64 HN LYS 64 -13.627 3.400 0.601 425 HA LYS 64 HA LYS 64 -12.731 1.273 1.987 426 1HB LYS 64 HB2 LYS 64 -15.199 0.641 2.190 427 2HB LYS 64 HB1 LYS 64 -15.333 0.667 0.405 428 1HG LYS 64 HG2 LYS 64 -14.179 -1.376 0.206 429 2HG LYS 64 HG1 LYS 64 -13.162 -1.072 1.670 430 1HD LYS 64 HD2 LYS 64 -14.929 -1.706 3.165 431 2HD LYS 64 HD1 LYS 64 -16.165 -1.674 1.861 432 1HE LYS 64 HE2 LYS 64 -15.492 -4.026 2.520 433 2HE LYS 64 HE1 LYS 64 -15.202 -3.654 0.772 434 1HZ LYS 64 HZ1 LYS 64 -13.375 -4.826 1.720 435 2HZ LYS 64 HZ2 LYS 64 -13.159 -3.662 2.936 436 3HZ LYS 64 HZ3 LYS 64 -12.888 -3.254 1.309 437 H CYS 65 HN CYS 65 -12.946 -0.247 -0.548 438 HA CYS 65 HA CYS 65 -10.836 0.965 -1.844 439 1HB CYS 65 HB2 CYS 65 -11.256 -1.501 -1.723 440 2HB CYS 65 HB1 CYS 65 -12.717 -1.302 -2.709 441 H HIS 66 HN HIS 66 -10.663 2.416 -3.463 442 HA HIS 66 HA HIS 66 -12.822 2.843 -5.347 443 1HB HIS 66 HB2 HIS 66 -13.439 4.433 -3.530 444 2HB HIS 66 HB1 HIS 66 -11.729 4.886 -3.297 445 HD1 HIS 66 HD1 HIS 66 -10.674 6.094 -5.554 446 HD2 HIS 66 HD2 HIS 66 -14.759 6.544 -4.749 447 HE1 HIS 66 HE1 HIS 66 -11.343 8.305 -6.495 448 HE2 HIS 66 HE2 HIS 66 -13.863 8.533 -6.066 449 H SER 67 HN SER 67 -11.266 1.968 -6.893 450 HA SER 67 HA SER 67 -8.543 2.717 -6.721 451 1HB SER 67 HB2 SER 67 -10.087 1.460 -9.075 452 2HB SER 67 HB1 SER 67 -8.292 1.467 -8.839 453 HG SER 67 HG SER 67 -8.479 0.100 -7.175 454 1HN NH2 68 H1 NH2 68 -7.739 4.701 -7.468 455 2HN NH2 68 H2 NH2 68 -8.504 5.687 -8.703 Start of MODEL 13 1 1H VAL 1 HT1 VAL 1 5.185 13.044 5.257 2 2H VAL 1 HT2 VAL 1 6.817 13.020 4.775 3 3H VAL 1 HT3 VAL 1 6.367 12.450 6.318 4 HA VAL 1 HA VAL 1 5.551 11.296 3.752 5 HB VAL 1 HB VAL 1 6.964 9.313 4.405 6 1HG1 VAL 1 HG11 VAL 1 7.793 11.035 2.802 7 2HG1 VAL 1 HG12 VAL 1 9.124 10.315 3.770 8 3HG1 VAL 1 HG13 VAL 1 8.525 11.969 4.162 9 1HG2 VAL 1 HG21 VAL 1 8.001 11.172 6.662 10 2HG2 VAL 1 HG22 VAL 1 8.696 9.586 6.189 11 3HG2 VAL 1 HG23 VAL 1 7.043 9.662 6.885 12 H ARG 2 HN ARG 2 4.568 9.089 4.000 13 HA ARG 2 HA ARG 2 3.063 8.862 6.549 14 1HB ARG 2 HB2 ARG 2 2.582 7.261 3.948 15 2HB ARG 2 HB1 ARG 2 1.652 7.167 5.480 16 1HG ARG 2 HG2 ARG 2 0.243 8.330 4.139 17 2HG ARG 2 HG1 ARG 2 1.012 9.676 5.042 18 1HD ARG 2 HD2 ARG 2 2.299 10.357 3.064 19 2HD ARG 2 HD1 ARG 2 2.049 8.751 2.277 20 HE ARG 2 HE ARG 2 -0.041 9.394 1.517 21 1HH1 ARG 2 HH21 ARG 2 1.037 11.808 3.946 22 2HH1 ARG 2 HH22 ARG 2 -0.267 12.897 3.621 23 1HH2 ARG 2 HH11 ARG 2 -1.745 10.885 1.089 24 2HH2 ARG 2 HH12 ARG 2 -1.863 12.377 1.964 25 H ASP 3 HN ASP 3 3.192 6.711 7.604 26 HA ASP 3 HA ASP 3 4.880 4.764 6.260 27 1HB ASP 3 HB2 ASP 3 4.544 5.038 9.347 28 2HB ASP 3 HB1 ASP 3 5.416 3.734 8.465 29 H GLY 4 HN GLY 4 3.221 3.154 5.673 30 1HA GLY 4 HA2 GLY 4 0.903 3.021 7.258 31 2HA GLY 4 HA1 GLY 4 0.698 3.970 5.705 32 H TYR 5 HN TYR 5 -0.693 1.744 5.519 33 HA TYR 5 HA TYR 5 1.006 -0.276 4.254 34 1HB TYR 5 HB2 TYR 5 -2.005 -0.067 4.872 35 2HB TYR 5 HB1 TYR 5 -1.412 -1.178 3.572 36 HD1 TYR 5 HD1 TYR 5 -0.584 -3.282 4.091 37 HD2 TYR 5 HD2 TYR 5 -1.058 -0.401 7.241 38 HE1 TYR 5 HE1 TYR 5 -0.057 -5.010 5.722 39 HE2 TYR 5 HE2 TYR 5 -0.491 -2.129 8.900 40 HH TYR 5 HH TYR 5 -0.674 -5.247 8.510 41 H ILE 6 HN ILE 6 0.846 -0.442 1.933 42 HA ILE 6 HA ILE 6 -0.056 2.064 0.678 43 HB ILE 6 HB ILE 6 2.273 1.498 0.230 44 1HG1 ILE 6 HG12 ILE 6 0.553 1.256 -2.299 45 2HG1 ILE 6 HG11 ILE 6 0.855 2.790 -1.408 46 1HG2 ILE 6 HG21 ILE 6 1.129 -1.083 -1.024 47 2HG2 ILE 6 HG22 ILE 6 2.238 -0.906 0.392 48 3HG2 ILE 6 HG23 ILE 6 2.811 -0.482 -1.250 49 1HD1 ILE 6 HD11 ILE 6 3.368 2.420 -1.846 50 2HD1 ILE 6 HD12 ILE 6 2.360 2.744 -3.292 51 3HD1 ILE 6 HD13 ILE 6 2.899 1.063 -2.938 52 H ALA 7 HN ALA 7 -1.348 1.972 -1.156 53 HA ALA 7 HA ALA 7 -2.951 -0.351 -1.540 54 1HB ALA 7 HB1 ALA 7 -4.110 1.459 0.044 55 2HB ALA 7 HB2 ALA 7 -5.048 0.977 -1.413 56 3HB ALA 7 HB3 ALA 7 -4.128 2.527 -1.360 57 H GLN 8 HN GLN 8 -4.621 1.050 -3.347 58 HA GLN 8 HA GLN 8 -2.807 2.303 -5.265 59 1HB GLN 8 HB2 GLN 8 -5.711 1.268 -5.488 60 2HB GLN 8 HB1 GLN 8 -4.888 2.178 -6.796 61 1HG GLN 8 HG2 GLN 8 -3.353 0.416 -7.253 62 2HG GLN 8 HG1 GLN 8 -3.653 -0.412 -5.686 63 1HE2 GLN 8 HE22 GLN 8 -5.647 -1.572 -5.355 64 2HE2 GLN 8 HE21 GLN 8 -6.611 -2.110 -6.715 65 HA PRO 9 HA PRO 9 -4.622 5.869 -3.342 66 1HB PRO 9 HB2 PRO 9 -4.772 7.720 -5.474 67 2HB PRO 9 HB1 PRO 9 -3.280 7.319 -4.537 68 1HG PRO 9 HG1 PRO 9 -4.190 6.163 -7.213 69 2HG PRO 9 HG2 PRO 9 -2.538 6.740 -6.743 70 1HD PRO 9 HD1 PRO 9 -3.202 4.067 -6.716 71 2HD PRO 9 HD2 PRO 9 -2.158 4.758 -5.387 72 H GLU 10 HN GLU 10 -8.140 5.352 -3.892 73 HA GLU 10 HA GLU 10 -6.018 5.368 -2.030 74 1HB GLU 10 HB2 GLU 10 -7.720 7.743 -2.595 75 2HB GLU 10 HB1 GLU 10 -8.281 7.040 -1.090 76 1HG GLU 10 HG2 GLU 10 -5.944 7.166 -0.113 77 2HG GLU 10 HG1 GLU 10 -5.352 7.844 -1.678 78 H ASN 11 HN ASN 11 -7.073 4.442 -0.062 79 HA ASN 11 HA ASN 11 -8.725 3.595 1.116 80 1HB ASN 11 HB2 ASN 11 -10.234 5.311 -0.364 81 2HB ASN 11 HB1 ASN 11 -10.921 3.779 -0.987 82 1HD2 ASN 11 HD22 ASN 11 -11.319 2.162 1.128 83 2HD2 ASN 11 HD21 ASN 11 -11.992 2.972 2.532 84 H CYS 12 HN CYS 12 -7.556 2.401 -1.622 85 HA CYS 12 HA CYS 12 -9.207 0.003 -1.899 86 1HB CYS 12 HB2 CYS 12 -6.712 0.793 -3.480 87 2HB CYS 12 HB1 CYS 12 -7.917 -0.473 -3.924 88 H VAL 13 HN VAL 13 -6.618 -1.433 -2.858 89 HA VAL 13 HA VAL 13 -4.925 -1.409 -0.654 90 HB VAL 13 HB VAL 13 -4.575 -3.819 -0.458 91 1HG1 VAL 13 HG11 VAL 13 -7.520 -3.116 0.089 92 2HG1 VAL 13 HG12 VAL 13 -6.147 -2.744 1.183 93 3HG1 VAL 13 HG13 VAL 13 -6.568 -4.463 0.825 94 1HG2 VAL 13 HG21 VAL 13 -7.060 -4.143 -2.265 95 2HG2 VAL 13 HG22 VAL 13 -6.228 -5.458 -1.341 96 3HG2 VAL 13 HG23 VAL 13 -5.355 -4.624 -2.666 97 H TYR 14 HN TYR 14 -3.072 -3.135 -1.810 98 HA TYR 14 HA TYR 14 -3.268 -2.979 -4.628 99 1HB TYR 14 HB2 TYR 14 -1.079 -1.647 -3.044 100 2HB TYR 14 HB1 TYR 14 -0.430 -3.098 -3.855 101 HD1 TYR 14 HD1 TYR 14 -2.084 -3.006 -6.485 102 HD2 TYR 14 HD2 TYR 14 0.150 -0.068 -4.259 103 HE1 TYR 14 HE1 TYR 14 -1.703 -1.744 -8.540 104 HE2 TYR 14 HE2 TYR 14 0.548 1.191 -6.330 105 HH TYR 14 HH TYR 14 -0.874 0.192 -9.452 106 H HIS 15 HN HIS 15 -2.000 -5.197 -5.132 107 HA HIS 15 HA HIS 15 -2.708 -6.891 -2.850 108 1HB HIS 15 HB2 HIS 15 -2.327 -7.530 -5.818 109 2HB HIS 15 HB1 HIS 15 -2.522 -8.781 -4.538 110 HD1 HIS 15 HD1 HIS 15 -4.603 -7.259 -6.916 111 HD2 HIS 15 HD2 HIS 15 -4.995 -7.994 -2.800 112 HE1 HIS 15 HE1 HIS 15 -7.079 -7.251 -6.379 113 HE2 HIS 15 HE2 HIS 15 -7.271 -7.712 -3.894 114 H CYS 16 HN CYS 16 -1.188 -7.692 -1.590 115 HA CYS 16 HA CYS 16 1.562 -7.663 -2.562 116 1HB CYS 16 HB2 CYS 16 0.710 -6.829 -0.171 117 2HB CYS 16 HB1 CYS 16 0.697 -8.557 0.239 118 H PHE 17 HN PHE 17 2.738 -9.677 -2.709 119 HA PHE 17 HA PHE 17 1.006 -12.047 -2.767 120 1HB PHE 17 HB2 PHE 17 3.605 -11.371 -4.331 121 2HB PHE 17 HB1 PHE 17 2.771 -12.964 -4.326 122 HD1 PHE 17 HD1 PHE 17 0.727 -13.292 -5.577 123 HD2 PHE 17 HD2 PHE 17 2.505 -9.382 -5.385 124 HE1 PHE 17 HE1 PHE 17 -0.778 -12.515 -7.384 125 HE2 PHE 17 HE2 PHE 17 0.998 -8.612 -7.189 126 HZ PHE 17 HZ PHE 17 -0.642 -10.175 -8.193 127 HA PRO 18 HA PRO 18 3.668 -12.172 0.841 128 1HB PRO 18 HB2 PRO 18 2.949 -15.161 0.694 129 2HB PRO 18 HB1 PRO 18 3.116 -14.138 2.184 130 1HG PRO 18 HG1 PRO 18 0.630 -14.578 1.151 131 2HG PRO 18 HG2 PRO 18 1.090 -12.887 1.622 132 1HD PRO 18 HD1 PRO 18 1.008 -14.107 -1.190 133 2HD PRO 18 HD2 PRO 18 0.544 -12.436 -0.616 134 H GLY 19 HN GLY 19 5.873 -12.080 0.805 135 1HA GLY 19 HA2 GLY 19 7.912 -13.436 0.133 136 2HA GLY 19 HA1 GLY 19 7.091 -13.335 -1.503 137 H SER 20 HN SER 20 5.782 -11.145 -1.547 138 HA SER 20 HA SER 20 5.454 -9.080 -0.982 139 1HB SER 20 HB2 SER 20 8.394 -8.385 -0.556 140 2HB SER 20 HB1 SER 20 6.937 -7.378 -0.205 141 HG SER 20 HG SER 20 7.824 -9.785 0.963 142 H SER 21 HN SER 21 7.854 -10.402 -3.138 143 HA SER 21 HA SER 21 9.038 -8.517 -4.258 144 1HB SER 21 HB2 SER 21 7.860 -10.746 -5.991 145 2HB SER 21 HB1 SER 21 9.516 -10.020 -6.053 146 HG SER 21 HG SER 21 9.601 -11.957 -4.948 147 H GLY 22 HN GLY 22 5.765 -9.367 -5.529 148 1HA GLY 22 HA2 GLY 22 5.906 -7.599 -7.699 149 2HA GLY 22 HA1 GLY 22 4.420 -8.280 -6.930 150 H CYS 23 HN CYS 23 4.557 -7.147 -4.358 151 HA CYS 23 HA CYS 23 3.655 -4.515 -5.181 152 1HB CYS 23 HB2 CYS 23 2.259 -6.025 -3.683 153 2HB CYS 23 HB1 CYS 23 3.448 -5.715 -2.377 154 H ASP 24 HN ASP 24 6.303 -6.051 -3.399 155 HA ASP 24 HA ASP 24 7.310 -3.725 -2.223 156 1HB ASP 24 HB2 ASP 24 8.099 -6.086 -1.733 157 2HB ASP 24 HB1 ASP 24 8.938 -6.104 -3.323 158 H THR 25 HN THR 25 7.604 -5.059 -5.560 159 HA THR 25 HA THR 25 9.430 -3.105 -6.441 160 HB THR 25 HB THR 25 7.277 -4.541 -8.043 161 HG1 THR 25 HG1 THR 25 8.575 -6.067 -7.005 162 1HG2 THR 25 HG21 THR 25 9.991 -3.266 -8.853 163 2HG2 THR 25 HG22 THR 25 8.361 -2.654 -9.310 164 3HG2 THR 25 HG23 THR 25 8.934 -4.226 -9.953 165 H LEU 26 HN LEU 26 5.813 -3.219 -6.324 166 HA LEU 26 HA LEU 26 5.367 -0.785 -7.614 167 1HB LEU 26 HB2 LEU 26 3.703 -2.144 -5.426 168 2HB LEU 26 HB1 LEU 26 3.155 -0.733 -6.381 169 HG LEU 26 HG LEU 26 3.931 -3.442 -7.615 170 1HD1 LEU 26 HD11 LEU 26 1.501 -3.873 -7.828 171 2HD1 LEU 26 HD12 LEU 26 1.136 -2.323 -6.978 172 3HD1 LEU 26 HD13 LEU 26 1.940 -3.661 -6.095 173 1HD2 LEU 26 HD21 LEU 26 4.142 -1.590 -9.253 174 2HD2 LEU 26 HD22 LEU 26 2.502 -0.979 -8.813 175 3HD2 LEU 26 HD23 LEU 26 2.685 -2.580 -9.620 176 H CYS 27 HN CYS 27 5.775 -1.622 -4.163 177 HA CYS 27 HA CYS 27 5.578 0.852 -3.022 178 1HB CYS 27 HB2 CYS 27 5.926 -1.425 -1.864 179 2HB CYS 27 HB1 CYS 27 7.668 -1.277 -2.236 180 H LYS 28 HN LYS 28 8.550 -0.680 -4.453 181 HA LYS 28 HA LYS 28 10.215 1.486 -3.886 182 1HB LYS 28 HB2 LYS 28 10.386 -0.869 -5.771 183 2HB LYS 28 HB1 LYS 28 11.467 0.522 -6.109 184 1HG LYS 28 HG2 LYS 28 12.707 -1.030 -4.757 185 2HG LYS 28 HG1 LYS 28 12.391 0.496 -3.868 186 1HD LYS 28 HD2 LYS 28 10.464 -0.733 -2.650 187 2HD LYS 28 HD1 LYS 28 11.025 -2.237 -3.450 188 1HE LYS 28 HE2 LYS 28 11.892 -2.065 -1.125 189 2HE LYS 28 HE1 LYS 28 13.265 -1.997 -2.304 190 1HZ LYS 28 HZ1 LYS 28 13.336 0.351 -2.067 191 2HZ LYS 28 HZ2 LYS 28 13.374 -0.340 -0.516 192 3HZ LYS 28 HZ3 LYS 28 11.947 0.377 -1.092 193 H GLU 29 HN GLU 29 8.294 0.862 -6.920 194 HA GLU 29 HA GLU 29 9.411 3.177 -8.125 195 1HB GLU 29 HB2 GLU 29 7.763 2.954 -9.926 196 2HB GLU 29 HB1 GLU 29 8.616 1.418 -9.575 197 1HG GLU 29 HG2 GLU 29 6.665 0.594 -8.290 198 2HG GLU 29 HG1 GLU 29 5.758 2.117 -8.606 199 H LYS 30 HN LYS 30 6.458 2.714 -6.129 200 HA LYS 30 HA LYS 30 5.499 5.352 -6.763 201 1HB LYS 30 HB2 LYS 30 4.739 3.468 -4.461 202 2HB LYS 30 HB1 LYS 30 3.898 5.009 -4.847 203 1HG LYS 30 HG2 LYS 30 4.068 2.547 -6.697 204 2HG LYS 30 HG1 LYS 30 2.671 3.015 -5.673 205 1HD LYS 30 HD2 LYS 30 2.544 5.206 -6.997 206 2HD LYS 30 HD1 LYS 30 3.812 4.554 -8.092 207 1HE LYS 30 HE2 LYS 30 1.019 3.307 -7.590 208 2HE LYS 30 HE1 LYS 30 1.539 4.224 -9.062 209 1HZ LYS 30 HZ1 LYS 30 3.166 2.518 -9.494 210 2HZ LYS 30 HZ2 LYS 30 1.604 1.857 -9.372 211 3HZ LYS 30 HZ3 LYS 30 2.706 1.667 -8.097 212 H GLY 31 HN GLY 31 7.696 3.927 -4.388 213 1HA GLY 31 HA2 GLY 31 9.512 5.297 -4.007 214 2HA GLY 31 HA1 GLY 31 8.429 6.721 -3.771 215 H GLY 32 HN GLY 32 8.130 3.361 -2.432 216 1HA GLY 32 HA2 GLY 32 8.390 4.501 0.261 217 2HA GLY 32 HA1 GLY 32 7.718 2.898 -0.245 218 H THR 33 HN THR 33 10.173 3.979 1.502 219 HA THR 33 HA THR 33 12.395 3.218 -0.066 220 HB THR 33 HB THR 33 12.390 3.870 2.918 221 HG1 THR 33 HG1 THR 33 12.507 6.027 2.218 222 1HG2 THR 33 HG21 THR 33 14.375 4.421 0.575 223 2HG2 THR 33 HG22 THR 33 14.593 3.190 1.869 224 3HG2 THR 33 HG23 THR 33 14.611 4.932 2.286 225 H SER 34 HN SER 34 10.195 1.442 1.989 226 HA SER 34 HA SER 34 11.631 -0.856 1.433 227 1HB SER 34 HB2 SER 34 12.839 -0.152 3.641 228 2HB SER 34 HB1 SER 34 11.235 -0.282 4.460 229 HG SER 34 HG SER 34 12.637 -2.167 4.532 230 H GLY 35 HN GLY 35 9.909 -2.706 2.421 231 1HA GLY 35 HA2 GLY 35 7.433 -1.920 3.177 232 2HA GLY 35 HA1 GLY 35 7.513 -2.032 1.347 233 H HIS 36 HN HIS 36 6.030 -4.144 2.413 234 HA HIS 36 HA HIS 36 7.342 -6.419 1.833 235 1HB HIS 36 HB2 HIS 36 7.293 -7.479 4.232 236 2HB HIS 36 HB1 HIS 36 8.696 -6.455 3.829 237 HD1 HIS 36 HD1 HIS 36 5.536 -6.282 5.937 238 HD2 HIS 36 HD2 HIS 36 9.139 -4.207 5.343 239 HE1 HIS 36 HE1 HIS 36 5.767 -4.604 7.828 240 HE2 HIS 36 HE2 HIS 36 7.945 -3.375 7.430 241 H CYS 37 HN CYS 37 5.561 -8.141 3.135 242 HA CYS 37 HA CYS 37 2.984 -6.849 2.566 243 1HB CYS 37 HB2 CYS 37 3.547 -9.799 3.229 244 2HB CYS 37 HB1 CYS 37 1.982 -9.093 2.724 245 H GLY 38 HN GLY 38 1.086 -7.711 4.236 246 1HA GLY 38 HA2 GLY 38 1.767 -8.449 6.743 247 2HA GLY 38 HA1 GLY 38 1.590 -6.616 6.655 248 H PHE 39 HN PHE 39 -0.739 -7.363 7.851 249 HA PHE 39 HA PHE 39 -2.527 -7.158 5.650 250 1HB PHE 39 HB2 PHE 39 -2.341 -9.719 6.428 251 2HB PHE 39 HB1 PHE 39 -3.071 -9.168 7.972 252 HD1 PHE 39 HD1 PHE 39 -4.532 -7.440 4.983 253 HD2 PHE 39 HD2 PHE 39 -4.569 -11.068 7.325 254 HE1 PHE 39 HE1 PHE 39 -6.691 -8.038 4.041 255 HE2 PHE 39 HE2 PHE 39 -6.740 -11.668 6.324 256 HZ PHE 39 HZ PHE 39 -7.818 -10.153 4.683 257 H LYS 40 HN LYS 40 -4.490 -5.986 6.794 258 HA LYS 40 HA LYS 40 -4.275 -5.586 9.597 259 1HB LYS 40 HB2 LYS 40 -2.701 -3.752 8.618 260 2HB LYS 40 HB1 LYS 40 -4.123 -3.116 7.733 261 1HG LYS 40 HG2 LYS 40 -5.238 -2.741 10.012 262 2HG LYS 40 HG1 LYS 40 -3.708 -3.268 10.796 263 1HD LYS 40 HD2 LYS 40 -2.479 -1.407 9.668 264 2HD LYS 40 HD1 LYS 40 -3.982 -0.906 8.820 265 1HE LYS 40 HE2 LYS 40 -3.581 -0.892 11.898 266 2HE LYS 40 HE1 LYS 40 -3.426 0.549 10.814 267 1HZ LYS 40 HZ1 LYS 40 -5.718 0.263 10.180 268 2HZ LYS 40 HZ2 LYS 40 -5.565 0.432 11.862 269 3HZ LYS 40 HZ3 LYS 40 -5.874 -1.096 11.186 270 H VAL 41 HN VAL 41 -5.894 -7.038 7.834 271 HA VAL 41 HA VAL 41 -7.592 -7.253 6.543 272 HB VAL 41 HB VAL 41 -8.998 -4.943 7.826 273 1HG1 VAL 41 HG11 VAL 41 -10.184 -6.246 5.910 274 2HG1 VAL 41 HG12 VAL 41 -10.991 -6.497 7.489 275 3HG1 VAL 41 HG13 VAL 41 -9.898 -7.761 6.829 276 1HG2 VAL 41 HG21 VAL 41 -9.758 -6.621 9.601 277 2HG2 VAL 41 HG22 VAL 41 -8.041 -6.128 9.736 278 3HG2 VAL 41 HG23 VAL 41 -8.463 -7.734 9.023 279 H GLY 42 HN GLY 42 -9.207 -4.796 5.574 280 1HA GLY 42 HA2 GLY 42 -8.453 -2.892 4.259 281 2HA GLY 42 HA1 GLY 42 -7.214 -4.038 3.556 282 H HIS 43 HN HIS 43 -7.957 -4.914 1.721 283 HA HIS 43 HA HIS 43 -10.788 -5.712 1.477 284 1HB HIS 43 HB2 HIS 43 -8.744 -4.713 -0.627 285 2HB HIS 43 HB1 HIS 43 -10.258 -5.504 -1.066 286 HD1 HIS 43 HD1 HIS 43 -8.998 -2.242 0.332 287 HD2 HIS 43 HD2 HIS 43 -12.546 -3.957 -1.118 288 HE1 HIS 43 HE1 HIS 43 -10.577 -0.360 -0.192 289 HE2 HIS 43 HE2 HIS 43 -12.732 -1.427 -0.995 290 H GLY 44 HN GLY 44 -7.330 -6.659 1.554 291 1HA GLY 44 HA2 GLY 44 -7.659 -9.254 0.941 292 2HA GLY 44 HA1 GLY 44 -7.206 -8.295 -0.570 293 H LEU 45 HN LEU 45 -4.922 -9.471 0.099 294 HA LEU 45 HA LEU 45 -3.873 -8.483 2.553 295 1HB LEU 45 HB2 LEU 45 -3.598 -10.819 1.360 296 2HB LEU 45 HB1 LEU 45 -2.229 -10.044 0.514 297 HG LEU 45 HG LEU 45 -2.271 -9.584 3.488 298 1HD1 LEU 45 HD11 LEU 45 -3.322 -11.819 3.518 299 2HD1 LEU 45 HD12 LEU 45 -1.633 -11.910 4.135 300 3HD1 LEU 45 HD13 LEU 45 -2.011 -12.482 2.468 301 1HD2 LEU 45 HD21 LEU 45 -0.308 -9.031 2.121 302 2HD2 LEU 45 HD22 LEU 45 -0.153 -10.742 1.560 303 3HD2 LEU 45 HD23 LEU 45 0.111 -10.326 3.299 304 H ALA 46 HN ALA 46 -3.367 -6.376 2.588 305 HA ALA 46 HA ALA 46 -2.469 -4.983 0.264 306 1HB ALA 46 HB1 ALA 46 -2.583 -2.944 1.708 307 2HB ALA 46 HB2 ALA 46 -2.785 -3.986 3.169 308 3HB ALA 46 HB3 ALA 46 -4.066 -3.928 1.915 309 H CYS 47 HN CYS 47 -0.498 -3.093 1.065 310 HA CYS 47 HA CYS 47 1.630 -5.049 1.828 311 1HB CYS 47 HB2 CYS 47 2.486 -2.943 -0.065 312 2HB CYS 47 HB1 CYS 47 2.899 -4.661 0.010 313 H TRP 48 HN TRP 48 3.519 -3.932 2.842 314 HA TRP 48 HA TRP 48 2.644 -1.463 4.182 315 1HB TRP 48 HB2 TRP 48 3.671 -3.274 5.617 316 2HB TRP 48 HB1 TRP 48 5.166 -3.175 4.630 317 HD1 TRP 48 HD1 TRP 48 6.946 -1.320 5.556 318 HE1 TRP 48 HE1 TRP 48 6.830 0.605 7.327 319 HE3 TRP 48 HE3 TRP 48 1.981 -1.567 6.693 320 HZ2 TRP 48 HZ2 TRP 48 4.917 1.746 9.019 321 HZ3 TRP 48 HZ3 TRP 48 1.058 -0.009 8.394 322 HH2 TRP 48 HH2 TRP 48 2.503 1.635 9.520 323 H CYS 49 HN CYS 49 4.113 0.499 3.949 324 HA CYS 49 HA CYS 49 6.431 0.068 2.355 325 1HB CYS 49 HB2 CYS 49 4.325 2.228 1.740 326 2HB CYS 49 HB1 CYS 49 6.071 2.474 1.387 327 H ASN 50 HN ASN 50 8.004 1.447 3.306 328 HA ASN 50 HA ASN 50 6.969 2.912 5.660 329 1HB ASN 50 HB2 ASN 50 8.784 0.856 5.815 330 2HB ASN 50 HB1 ASN 50 9.934 2.179 5.438 331 1HD2 ASN 50 HD22 ASN 50 10.441 3.611 7.248 332 2HD2 ASN 50 HD21 ASN 50 9.611 3.570 8.767 333 H ALA 51 HN ALA 51 7.035 5.062 5.311 334 HA ALA 51 HA ALA 51 7.641 7.027 4.748 335 1HB ALA 51 HB1 ALA 51 10.290 5.958 3.670 336 2HB ALA 51 HB2 ALA 51 9.994 6.569 5.344 337 3HB ALA 51 HB3 ALA 51 9.860 7.686 3.931 338 H LEU 52 HN LEU 52 5.788 6.796 3.337 339 HA LEU 52 HA LEU 52 6.608 6.847 0.491 340 1HB LEU 52 HB2 LEU 52 3.853 6.580 1.800 341 2HB LEU 52 HB1 LEU 52 4.018 7.158 0.112 342 HG LEU 52 HG LEU 52 5.275 4.535 1.038 343 1HD1 LEU 52 HD11 LEU 52 2.443 4.957 -0.117 344 2HD1 LEU 52 HD12 LEU 52 2.863 4.363 1.539 345 3HD1 LEU 52 HD13 LEU 52 3.259 3.370 0.090 346 1HD2 LEU 52 HD21 LEU 52 5.319 3.931 -1.336 347 2HD2 LEU 52 HD22 LEU 52 6.045 5.561 -1.176 348 3HD2 LEU 52 HD23 LEU 52 4.378 5.392 -1.799 349 HA PRO 53 HA PRO 53 6.213 11.218 1.360 350 1HB PRO 53 HB2 PRO 53 6.227 12.301 -1.213 351 2HB PRO 53 HB1 PRO 53 7.691 11.577 -0.446 352 1HG PRO 53 HG1 PRO 53 5.773 10.257 -2.427 353 2HG PRO 53 HG2 PRO 53 7.581 10.255 -2.438 354 1HD PRO 53 HD1 PRO 53 6.018 8.173 -1.380 355 2HD PRO 53 HD2 PRO 53 7.657 8.572 -0.732 356 H ASP 54 HN ASP 54 4.684 13.127 0.719 357 HA ASP 54 HA ASP 54 2.225 12.057 1.487 358 1HB ASP 54 HB2 ASP 54 3.004 14.925 0.752 359 2HB ASP 54 HB1 ASP 54 1.528 14.445 1.695 360 H ASN 55 HN ASN 55 3.346 12.435 -1.668 361 HA ASN 55 HA ASN 55 0.810 13.314 -2.777 362 1HB ASN 55 HB2 ASN 55 1.993 13.130 -4.989 363 2HB ASN 55 HB1 ASN 55 2.837 14.222 -3.845 364 1HD2 ASN 55 HD21 ASN 55 3.349 11.581 -5.974 365 2HD2 ASN 55 HD22 ASN 55 4.870 11.029 -5.340 366 H VAL 56 HN VAL 56 1.837 10.453 -1.452 367 HA VAL 56 HA VAL 56 0.745 8.794 -3.609 368 HB VAL 56 HB VAL 56 2.070 7.831 -1.021 369 1HG1 VAL 56 HG11 VAL 56 0.703 6.160 -2.292 370 2HG1 VAL 56 HG12 VAL 56 2.446 5.772 -2.413 371 3HG1 VAL 56 HG13 VAL 56 1.613 6.549 -3.803 372 1HG2 VAL 56 HG21 VAL 56 3.410 8.630 -3.699 373 2HG2 VAL 56 HG22 VAL 56 4.195 7.663 -2.391 374 3HG2 VAL 56 HG23 VAL 56 3.705 9.344 -2.084 375 H GLY 57 HN GLY 57 -1.217 7.542 -3.071 376 1HA GLY 57 HA2 GLY 57 -2.472 8.393 -0.550 377 2HA GLY 57 HA1 GLY 57 -3.327 8.172 -2.145 378 H ILE 58 HN ILE 58 -3.684 6.562 0.395 379 HA ILE 58 HA ILE 58 -2.632 3.974 -0.412 380 HB ILE 58 HB ILE 58 -1.698 3.702 1.891 381 1HG1 ILE 58 HG12 ILE 58 -1.869 6.782 1.993 382 2HG1 ILE 58 HG11 ILE 58 -2.836 5.655 3.005 383 1HG2 ILE 58 HG21 ILE 58 -0.444 4.068 -0.252 384 2HG2 ILE 58 HG22 ILE 58 0.428 4.492 1.262 385 3HG2 ILE 58 HG23 ILE 58 -0.261 5.798 0.209 386 1HD1 ILE 58 HD11 ILE 58 -0.939 6.430 4.324 387 2HD1 ILE 58 HD12 ILE 58 0.236 5.991 3.029 388 3HD1 ILE 58 HD13 ILE 58 -0.657 4.696 3.919 389 H ILE 59 HN ILE 59 -3.245 3.005 2.378 390 HA ILE 59 HA ILE 59 -5.960 2.415 1.877 391 HB ILE 59 HB ILE 59 -4.452 1.865 4.475 392 1HG1 ILE 59 HG12 ILE 59 -3.069 1.022 2.523 393 2HG1 ILE 59 HG11 ILE 59 -3.652 -0.208 3.685 394 1HG2 ILE 59 HG21 ILE 59 -6.868 0.508 3.070 395 2HG2 ILE 59 HG22 ILE 59 -6.878 1.405 4.629 396 3HG2 ILE 59 HG23 ILE 59 -6.010 -0.162 4.510 397 1HD1 ILE 59 HD11 ILE 59 -5.216 0.271 1.124 398 2HD1 ILE 59 HD12 ILE 59 -5.213 -1.147 2.207 399 3HD1 ILE 59 HD13 ILE 59 -3.763 -0.807 1.174 400 H VAL 60 HN VAL 60 -7.790 3.130 3.068 401 HA VAL 60 HA VAL 60 -7.631 5.113 5.079 402 HB VAL 60 HB VAL 60 -8.845 5.390 2.223 403 1HG1 VAL 60 HG11 VAL 60 -10.039 7.401 2.970 404 2HG1 VAL 60 HG12 VAL 60 -9.532 7.096 4.687 405 3HG1 VAL 60 HG13 VAL 60 -10.623 5.936 3.815 406 1HG2 VAL 60 HG21 VAL 60 -6.529 6.249 2.378 407 2HG2 VAL 60 HG22 VAL 60 -6.988 7.272 3.796 408 3HG2 VAL 60 HG23 VAL 60 -7.698 7.602 2.169 409 H GLU 61 HN GLU 61 -9.618 4.407 6.228 410 HA GLU 61 HA GLU 61 -10.941 2.821 6.945 411 1HB GLU 61 HB2 GLU 61 -12.388 4.390 5.648 412 2HB GLU 61 HB1 GLU 61 -12.321 3.288 4.258 413 1HG GLU 61 HG2 GLU 61 -13.461 1.496 5.756 414 2HG GLU 61 HG1 GLU 61 -13.538 2.734 7.062 415 H GLY 62 HN GLY 62 -12.112 1.317 4.080 416 1HA GLY 62 HA2 GLY 62 -10.411 0.011 2.755 417 2HA GLY 62 HA1 GLY 62 -10.244 -0.914 4.315 418 H GLU 63 HN GLU 63 -12.714 0.261 1.905 419 HA GLU 63 HA GLU 63 -14.377 -2.009 2.646 420 1HB GLU 63 HB2 GLU 63 -14.966 -0.158 4.278 421 2HB GLU 63 HB1 GLU 63 -15.356 0.919 2.911 422 1HG GLU 63 HG2 GLU 63 -17.179 -0.668 2.173 423 2HG GLU 63 HG1 GLU 63 -16.775 -1.755 3.555 424 H LYS 64 HN LYS 64 -14.600 1.214 1.022 425 HA LYS 64 HA LYS 64 -15.306 -0.133 -1.476 426 1HB LYS 64 HB2 LYS 64 -16.759 1.784 -0.603 427 2HB LYS 64 HB1 LYS 64 -15.324 2.863 -0.713 428 1HG LYS 64 HG2 LYS 64 -15.270 2.625 -3.144 429 2HG LYS 64 HG1 LYS 64 -16.565 1.367 -3.119 430 1HD LYS 64 HD2 LYS 64 -18.214 2.990 -2.381 431 2HD LYS 64 HD1 LYS 64 -16.954 4.240 -2.085 432 1HE LYS 64 HE2 LYS 64 -17.626 3.083 -4.878 433 2HE LYS 64 HE1 LYS 64 -18.266 4.642 -4.211 434 1HZ LYS 64 HZ1 LYS 64 -16.012 5.423 -4.001 435 2HZ LYS 64 HZ2 LYS 64 -16.370 4.993 -5.606 436 3HZ LYS 64 HZ3 LYS 64 -15.400 3.975 -4.650 437 H CYS 65 HN CYS 65 -13.971 0.941 -3.406 438 HA CYS 65 HA CYS 65 -11.223 1.488 -2.499 439 1HB CYS 65 HB2 CYS 65 -11.169 -0.619 -3.730 440 2HB CYS 65 HB1 CYS 65 -12.324 -0.007 -4.931 441 H HIS 66 HN HIS 66 -10.577 3.544 -3.141 442 HA HIS 66 HA HIS 66 -10.844 5.596 -3.476 443 1HB HIS 66 HB2 HIS 66 -13.016 5.244 -5.550 444 2HB HIS 66 HB1 HIS 66 -11.935 6.671 -5.273 445 HD1 HIS 66 HD1 HIS 66 -9.251 5.930 -5.411 446 HD2 HIS 66 HD2 HIS 66 -11.971 3.494 -7.479 447 HE1 HIS 66 HE1 HIS 66 -7.909 4.502 -6.976 448 HE2 HIS 66 HE2 HIS 66 -9.585 3.070 -8.259 449 H SER 67 HN SER 67 -13.146 7.369 -3.729 450 HA SER 67 HA SER 67 -13.411 7.455 -1.071 451 1HB SER 67 HB2 SER 67 -15.250 8.880 -3.080 452 2HB SER 67 HB1 SER 67 -14.654 9.497 -1.491 453 HG SER 67 HG SER 67 -13.485 10.333 -3.251 454 1HN NH2 68 H1 NH2 68 -14.591 5.824 0.091 455 2HN NH2 68 H2 NH2 68 -16.309 5.622 -0.101 Start of MODEL 14 1 1H VAL 1 HT1 VAL 1 7.149 13.218 4.590 2 2H VAL 1 HT2 VAL 1 7.054 12.574 6.163 3 3H VAL 1 HT3 VAL 1 5.695 13.319 5.470 4 HA VAL 1 HA VAL 1 5.585 11.660 3.794 5 HB VAL 1 HB VAL 1 6.899 9.499 4.131 6 1HG1 VAL 1 HG11 VAL 1 8.959 10.326 3.068 7 2HG1 VAL 1 HG12 VAL 1 8.555 12.027 3.531 8 3HG1 VAL 1 HG13 VAL 1 7.507 11.116 2.384 9 1HG2 VAL 1 HG21 VAL 1 8.547 11.189 6.135 10 2HG2 VAL 1 HG22 VAL 1 8.980 9.567 5.505 11 3HG2 VAL 1 HG23 VAL 1 7.520 9.761 6.532 12 H ARG 2 HN ARG 2 4.774 9.292 4.250 13 HA ARG 2 HA ARG 2 3.615 9.105 6.945 14 1HB ARG 2 HB2 ARG 2 1.599 8.012 5.887 15 2HB ARG 2 HB1 ARG 2 1.791 9.720 5.380 16 1HG ARG 2 HG2 ARG 2 3.249 8.308 3.419 17 2HG ARG 2 HG1 ARG 2 1.860 7.235 3.716 18 1HD ARG 2 HD2 ARG 2 1.643 10.282 3.150 19 2HD ARG 2 HD1 ARG 2 1.674 9.036 1.842 20 HE ARG 2 HE ARG 2 -0.326 8.029 3.381 21 1HH1 ARG 2 HH11 ARG 2 0.222 11.410 2.362 22 2HH1 ARG 2 HH12 ARG 2 -1.450 11.849 2.449 23 1HH2 ARG 2 HH21 ARG 2 -2.555 8.657 3.569 24 2HH2 ARG 2 HH22 ARG 2 -3.047 10.258 3.137 25 H ASP 3 HN ASP 3 3.326 6.736 7.550 26 HA ASP 3 HA ASP 3 4.741 4.859 5.843 27 1HB ASP 3 HB2 ASP 3 4.895 4.962 8.957 28 2HB ASP 3 HB1 ASP 3 5.583 3.677 7.902 29 H GLY 4 HN GLY 4 3.083 3.108 5.605 30 1HA GLY 4 HA2 GLY 4 1.451 2.618 7.781 31 2HA GLY 4 HA1 GLY 4 0.550 3.479 6.442 32 H TYR 5 HN TYR 5 -0.467 1.166 6.356 33 HA TYR 5 HA TYR 5 1.084 -0.558 4.606 34 1HB TYR 5 HB2 TYR 5 -1.863 -0.539 5.499 35 2HB TYR 5 HB1 TYR 5 -1.309 -1.515 4.086 36 HD1 TYR 5 HD1 TYR 5 -1.613 -1.464 7.694 37 HD2 TYR 5 HD2 TYR 5 0.538 -3.189 4.405 38 HE1 TYR 5 HE1 TYR 5 -0.983 -3.378 9.102 39 HE2 TYR 5 HE2 TYR 5 1.188 -5.080 5.784 40 HH TYR 5 HH TYR 5 0.729 -6.226 7.755 41 H ILE 6 HN ILE 6 0.876 -0.371 2.303 42 HA ILE 6 HA ILE 6 -0.108 2.243 1.505 43 HB ILE 6 HB ILE 6 2.165 1.777 0.788 44 1HG1 ILE 6 HG12 ILE 6 0.022 2.129 -1.387 45 2HG1 ILE 6 HG11 ILE 6 0.895 3.387 -0.464 46 1HG2 ILE 6 HG21 ILE 6 2.597 0.068 -0.995 47 2HG2 ILE 6 HG22 ILE 6 0.909 -0.524 -0.832 48 3HG2 ILE 6 HG23 ILE 6 2.074 -0.653 0.549 49 1HD1 ILE 6 HD11 ILE 6 1.983 1.502 -2.658 50 2HD1 ILE 6 HD12 ILE 6 3.061 2.529 -1.647 51 3HD1 ILE 6 HD13 ILE 6 1.823 3.291 -2.713 52 H ALA 7 HN ALA 7 -1.716 2.472 0.322 53 HA ALA 7 HA ALA 7 -3.533 0.325 -0.337 54 1HB ALA 7 HB1 ALA 7 -3.797 3.406 -0.614 55 2HB ALA 7 HB2 ALA 7 -4.513 2.416 0.704 56 3HB ALA 7 HB3 ALA 7 -5.118 2.225 -0.952 57 H GLN 8 HN GLN 8 -4.392 2.408 -2.562 58 HA GLN 8 HA GLN 8 -2.189 2.754 -4.181 59 1HB GLN 8 HB2 GLN 8 -3.404 1.878 -6.288 60 2HB GLN 8 HB1 GLN 8 -2.740 0.579 -5.227 61 1HG GLN 8 HG2 GLN 8 -4.998 0.229 -4.226 62 2HG GLN 8 HG1 GLN 8 -5.685 1.488 -5.347 63 1HE2 GLN 8 HE22 GLN 8 -6.939 -0.801 -5.695 64 2HE2 GLN 8 HE21 GLN 8 -6.320 -1.763 -6.999 65 HA PRO 9 HA PRO 9 -5.045 6.076 -4.012 66 1HB PRO 9 HB2 PRO 9 -4.964 6.305 -7.091 67 2HB PRO 9 HB1 PRO 9 -4.816 7.652 -5.888 68 1HG PRO 9 HG1 PRO 9 -2.568 6.658 -7.068 69 2HG PRO 9 HG2 PRO 9 -2.574 6.933 -5.276 70 1HD PRO 9 HD1 PRO 9 -2.971 4.276 -6.772 71 2HD PRO 9 HD2 PRO 9 -1.988 4.641 -5.277 72 H GLU 10 HN GLU 10 -8.441 5.232 -5.001 73 HA GLU 10 HA GLU 10 -6.868 7.555 -4.249 74 1HB GLU 10 HB2 GLU 10 -9.817 6.816 -3.894 75 2HB GLU 10 HB1 GLU 10 -9.118 8.415 -3.483 76 1HG GLU 10 HG2 GLU 10 -9.392 7.127 -6.270 77 2HG GLU 10 HG1 GLU 10 -10.280 8.554 -5.634 78 H ASN 11 HN ASN 11 -8.796 4.892 -2.672 79 HA ASN 11 HA ASN 11 -7.049 4.862 -0.504 80 1HB ASN 11 HB2 ASN 11 -8.965 6.174 0.631 81 2HB ASN 11 HB1 ASN 11 -10.158 5.083 -0.165 82 1HD2 ASN 11 HD21 ASN 11 -10.908 3.492 1.344 83 2HD2 ASN 11 HD22 ASN 11 -9.931 2.854 2.646 84 H CYS 12 HN CYS 12 -7.147 2.591 -0.152 85 HA CYS 12 HA CYS 12 -8.970 0.813 -1.231 86 1HB CYS 12 HB2 CYS 12 -6.393 1.244 -2.919 87 2HB CYS 12 HB1 CYS 12 -7.321 -0.287 -2.981 88 H VAL 13 HN VAL 13 -6.816 -1.249 -1.592 89 HA VAL 13 HA VAL 13 -4.974 -0.893 0.516 90 HB VAL 13 HB VAL 13 -4.984 -3.478 0.682 91 1HG1 VAL 13 HG11 VAL 13 -6.979 -3.509 2.334 92 2HG1 VAL 13 HG12 VAL 13 -7.284 -1.790 1.862 93 3HG1 VAL 13 HG13 VAL 13 -5.731 -2.259 2.639 94 1HG2 VAL 13 HG21 VAL 13 -7.870 -3.224 -0.377 95 2HG2 VAL 13 HG22 VAL 13 -6.956 -4.716 0.090 96 3HG2 VAL 13 HG23 VAL 13 -6.478 -3.810 -1.370 97 H TYR 14 HN TYR 14 -3.027 -2.285 -0.518 98 HA TYR 14 HA TYR 14 -3.375 -2.348 -3.415 99 1HB TYR 14 HB2 TYR 14 -0.989 -2.035 -1.788 100 2HB TYR 14 HB1 TYR 14 -0.831 -3.598 -2.587 101 HD1 TYR 14 HD1 TYR 14 -2.237 -3.129 -5.249 102 HD2 TYR 14 HD2 TYR 14 0.553 -0.692 -3.044 103 HE1 TYR 14 HE1 TYR 14 -1.562 -2.053 -7.314 104 HE2 TYR 14 HE2 TYR 14 1.276 0.362 -5.143 105 HH TYR 14 HH TYR 14 -0.199 -0.546 -8.300 106 H HIS 15 HN HIS 15 -1.899 -4.956 -3.895 107 HA HIS 15 HA HIS 15 -3.401 -6.786 -2.318 108 1HB HIS 15 HB2 HIS 15 -3.350 -6.704 -5.426 109 2HB HIS 15 HB1 HIS 15 -3.526 -8.226 -4.484 110 HD1 HIS 15 HD1 HIS 15 -5.376 -4.851 -4.553 111 HD2 HIS 15 HD2 HIS 15 -6.114 -8.958 -4.090 112 HE1 HIS 15 HE1 HIS 15 -7.880 -5.145 -4.284 113 HE2 HIS 15 HE2 HIS 15 -8.277 -7.632 -4.004 114 H CYS 16 HN CYS 16 -1.782 -8.562 -2.194 115 HA CYS 16 HA CYS 16 0.590 -8.374 -3.515 116 1HB CYS 16 HB2 CYS 16 1.020 -6.461 -1.818 117 2HB CYS 16 HB1 CYS 16 0.673 -7.617 -0.504 118 H PHE 17 HN PHE 17 1.700 -10.109 -1.254 119 HA PHE 17 HA PHE 17 -0.309 -12.171 -1.279 120 1HB PHE 17 HB2 PHE 17 2.610 -12.296 -2.407 121 2HB PHE 17 HB1 PHE 17 1.384 -13.604 -2.495 122 HD1 PHE 17 HD1 PHE 17 -0.906 -12.841 -3.799 123 HD2 PHE 17 HD2 PHE 17 2.876 -10.808 -4.188 124 HE1 PHE 17 HE1 PHE 17 -1.614 -11.920 -5.962 125 HE2 PHE 17 HE2 PHE 17 2.159 -9.908 -6.360 126 HZ PHE 17 HZ PHE 17 -0.088 -10.457 -7.260 127 HA PRO 18 HA PRO 18 2.525 -12.614 2.331 128 1HB PRO 18 HB2 PRO 18 2.839 -15.389 2.622 129 2HB PRO 18 HB1 PRO 18 1.336 -14.505 3.075 130 1HG PRO 18 HG1 PRO 18 1.905 -15.960 0.437 131 2HG PRO 18 HG2 PRO 18 0.461 -16.141 1.517 132 1HD PRO 18 HD1 PRO 18 0.386 -14.468 -0.671 133 2HD PRO 18 HD2 PRO 18 -0.365 -13.939 0.899 134 H GLY 19 HN GLY 19 3.846 -11.667 0.217 135 1HA GLY 19 HA2 GLY 19 6.444 -12.544 0.502 136 2HA GLY 19 HA1 GLY 19 5.714 -13.267 -1.015 137 H SER 20 HN SER 20 7.349 -10.521 0.095 138 HA SER 20 HA SER 20 5.849 -8.489 -1.003 139 1HB SER 20 HB2 SER 20 8.886 -8.472 -0.492 140 2HB SER 20 HB1 SER 20 7.693 -7.151 -0.207 141 HG SER 20 HG SER 20 8.439 -8.291 1.670 142 H SER 21 HN SER 21 6.112 -10.399 -3.146 143 HA SER 21 HA SER 21 8.575 -10.280 -4.440 144 1HB SER 21 HB2 SER 21 7.071 -11.505 -6.281 145 2HB SER 21 HB1 SER 21 7.323 -12.291 -4.680 146 HG SER 21 HG SER 21 5.139 -12.261 -5.281 147 H GLY 22 HN GLY 22 5.366 -9.280 -5.632 148 1HA GLY 22 HA2 GLY 22 6.562 -7.670 -7.691 149 2HA GLY 22 HA1 GLY 22 4.810 -7.816 -7.267 150 H CYS 23 HN CYS 23 5.594 -7.161 -4.372 151 HA CYS 23 HA CYS 23 4.970 -4.418 -4.856 152 1HB CYS 23 HB2 CYS 23 3.810 -5.772 -3.056 153 2HB CYS 23 HB1 CYS 23 5.294 -5.551 -2.065 154 H ASP 24 HN ASP 24 7.974 -6.123 -4.210 155 HA ASP 24 HA ASP 24 9.486 -4.086 -3.144 156 1HB ASP 24 HB2 ASP 24 10.308 -6.409 -3.683 157 2HB ASP 24 HB1 ASP 24 10.259 -6.014 -5.434 158 H THR 25 HN THR 25 8.796 -4.676 -6.686 159 HA THR 25 HA THR 25 9.774 -2.277 -7.595 160 HB THR 25 HB THR 25 7.741 -3.012 -9.364 161 HG1 THR 25 HG1 THR 25 7.220 -4.871 -8.034 162 1HG2 THR 25 HG21 THR 25 9.610 -4.201 -10.561 163 2HG2 THR 25 HG22 THR 25 10.600 -4.182 -9.055 164 3HG2 THR 25 HG23 THR 25 10.171 -2.633 -9.875 165 H LEU 26 HN LEU 26 6.415 -3.133 -6.504 166 HA LEU 26 HA LEU 26 5.289 -0.790 -7.524 167 1HB LEU 26 HB2 LEU 26 4.294 -2.493 -5.180 168 2HB LEU 26 HB1 LEU 26 3.365 -1.204 -5.968 169 HG LEU 26 HG LEU 26 4.415 -3.649 -7.501 170 1HD1 LEU 26 HD11 LEU 26 2.058 -4.512 -7.369 171 2HD1 LEU 26 HD12 LEU 26 1.654 -3.195 -6.200 172 3HD1 LEU 26 HD13 LEU 26 2.872 -4.445 -5.763 173 1HD2 LEU 26 HD21 LEU 26 2.700 -2.954 -9.201 174 2HD2 LEU 26 HD22 LEU 26 3.987 -1.721 -8.974 175 3HD2 LEU 26 HD23 LEU 26 2.368 -1.468 -8.230 176 H CYS 27 HN CYS 27 6.565 -1.607 -4.283 177 HA CYS 27 HA CYS 27 5.779 0.795 -3.102 178 1HB CYS 27 HB2 CYS 27 6.652 -1.343 -1.936 179 2HB CYS 27 HB1 CYS 27 8.305 -0.802 -2.357 180 H LYS 28 HN LYS 28 8.765 -0.079 -4.943 181 HA LYS 28 HA LYS 28 10.099 2.336 -4.373 182 1HB LYS 28 HB2 LYS 28 10.361 0.431 -6.769 183 2HB LYS 28 HB1 LYS 28 11.453 1.830 -6.486 184 1HG LYS 28 HG2 LYS 28 11.116 -0.480 -4.484 185 2HG LYS 28 HG1 LYS 28 12.340 -0.441 -5.795 186 1HD LYS 28 HD2 LYS 28 13.192 1.771 -4.788 187 2HD LYS 28 HD1 LYS 28 12.124 1.455 -3.378 188 1HE LYS 28 HE2 LYS 28 14.386 -0.408 -4.406 189 2HE LYS 28 HE1 LYS 28 14.476 0.673 -2.957 190 1HZ LYS 28 HZ1 LYS 28 13.983 -1.618 -2.406 191 2HZ LYS 28 HZ2 LYS 28 12.555 -1.568 -3.326 192 3HZ LYS 28 HZ3 LYS 28 12.720 -0.577 -1.956 193 H GLU 29 HN GLU 29 7.949 1.360 -7.156 194 HA GLU 29 HA GLU 29 8.502 3.788 -8.491 195 1HB GLU 29 HB2 GLU 29 6.808 3.208 -10.118 196 2HB GLU 29 HB1 GLU 29 7.803 1.770 -9.713 197 1HG GLU 29 HG2 GLU 29 5.960 1.038 -8.116 198 2HG GLU 29 HG1 GLU 29 4.940 2.393 -8.709 199 H LYS 30 HN LYS 30 6.341 3.120 -5.857 200 HA LYS 30 HA LYS 30 4.777 5.531 -6.397 201 1HB LYS 30 HB2 LYS 30 4.683 3.520 -4.077 202 2HB LYS 30 HB1 LYS 30 3.594 4.939 -4.246 203 1HG LYS 30 HG2 LYS 30 3.795 2.597 -6.234 204 2HG LYS 30 HG1 LYS 30 2.538 2.781 -4.968 205 1HD LYS 30 HD2 LYS 30 1.739 4.890 -6.072 206 2HD LYS 30 HD1 LYS 30 2.984 4.694 -7.356 207 1HE LYS 30 HE2 LYS 30 0.679 2.713 -6.770 208 2HE LYS 30 HE1 LYS 30 0.771 3.881 -8.152 209 1HZ LYS 30 HZ1 LYS 30 2.750 2.725 -8.911 210 2HZ LYS 30 HZ2 LYS 30 1.422 1.672 -8.784 211 3HZ LYS 30 HZ3 LYS 30 2.642 1.637 -7.610 212 H GLY 31 HN GLY 31 7.812 4.759 -5.103 213 1HA GLY 31 HA2 GLY 31 9.262 6.233 -4.332 214 2HA GLY 31 HA1 GLY 31 7.938 7.422 -4.012 215 H GLY 32 HN GLY 32 7.909 4.028 -2.854 216 1HA GLY 32 HA2 GLY 32 8.347 4.993 -0.111 217 2HA GLY 32 HA1 GLY 32 7.591 3.437 -0.681 218 H THR 33 HN THR 33 10.059 3.804 1.100 219 HA THR 33 HA THR 33 12.230 3.563 -0.757 220 HB THR 33 HB THR 33 13.572 3.335 1.408 221 HG1 THR 33 HG1 THR 33 12.503 3.673 3.246 222 1HG2 THR 33 HG21 THR 33 13.242 5.469 0.116 223 2HG2 THR 33 HG22 THR 33 13.216 5.801 1.881 224 3HG2 THR 33 HG23 THR 33 11.678 5.759 0.942 225 H SER 34 HN SER 34 10.462 1.329 1.498 226 HA SER 34 HA SER 34 10.882 -0.752 -0.217 227 1HB SER 34 HB2 SER 34 12.461 -0.885 2.452 228 2HB SER 34 HB1 SER 34 11.986 -2.348 1.508 229 HG SER 34 HG SER 34 13.315 -0.215 0.234 230 H GLY 35 HN GLY 35 9.784 -2.749 1.479 231 1HA GLY 35 HA2 GLY 35 7.841 -1.756 3.129 232 2HA GLY 35 HA1 GLY 35 7.296 -1.911 1.377 233 H HIS 36 HN HIS 36 6.071 -3.949 2.573 234 HA HIS 36 HA HIS 36 7.472 -6.263 2.031 235 1HB HIS 36 HB2 HIS 36 7.284 -7.303 4.333 236 2HB HIS 36 HB1 HIS 36 8.481 -5.975 4.327 237 HD1 HIS 36 HD1 HIS 36 4.959 -6.733 5.557 238 HD2 HIS 36 HD2 HIS 36 7.936 -3.810 6.031 239 HE1 HIS 36 HE1 HIS 36 4.240 -5.226 7.462 240 HE2 HIS 36 HE2 HIS 36 6.060 -3.481 7.715 241 H CYS 37 HN CYS 37 5.419 -7.956 3.210 242 HA CYS 37 HA CYS 37 2.966 -6.464 2.891 243 1HB CYS 37 HB2 CYS 37 3.595 -9.062 1.332 244 2HB CYS 37 HB1 CYS 37 2.006 -8.232 1.404 245 H GLY 38 HN GLY 38 1.222 -7.889 3.870 246 1HA GLY 38 HA2 GLY 38 1.048 -10.158 4.947 247 2HA GLY 38 HA1 GLY 38 2.386 -9.518 5.999 248 H PHE 39 HN PHE 39 -1.132 -9.661 5.706 249 HA PHE 39 HA PHE 39 -1.554 -7.889 7.728 250 1HB PHE 39 HB2 PHE 39 -1.096 -6.228 5.682 251 2HB PHE 39 HB1 PHE 39 -2.506 -6.998 4.887 252 HD1 PHE 39 HD1 PHE 39 -2.818 -6.421 8.598 253 HD2 PHE 39 HD2 PHE 39 -3.283 -4.731 4.668 254 HE1 PHE 39 HE1 PHE 39 -4.290 -4.729 9.503 255 HE2 PHE 39 HE2 PHE 39 -4.717 -2.968 5.590 256 HZ PHE 39 HZ PHE 39 -5.227 -2.940 8.043 257 H LYS 40 HN LYS 40 -4.383 -7.822 7.401 258 HA LYS 40 HA LYS 40 -5.305 -9.592 5.476 259 1HB LYS 40 HB2 LYS 40 -5.802 -10.163 8.496 260 2HB LYS 40 HB1 LYS 40 -6.899 -10.710 7.177 261 1HG LYS 40 HG2 LYS 40 -5.057 -12.081 6.194 262 2HG LYS 40 HG1 LYS 40 -3.972 -11.585 7.537 263 1HD LYS 40 HD2 LYS 40 -5.465 -12.688 9.197 264 2HD LYS 40 HD1 LYS 40 -6.647 -13.085 7.905 265 1HE LYS 40 HE2 LYS 40 -5.298 -15.087 8.475 266 2HE LYS 40 HE1 LYS 40 -4.951 -14.565 6.777 267 1HZ LYS 40 HZ1 LYS 40 -2.965 -15.129 7.976 268 2HZ LYS 40 HZ2 LYS 40 -3.292 -13.970 9.172 269 3HZ LYS 40 HZ3 LYS 40 -2.963 -13.477 7.581 270 H VAL 41 HN VAL 41 -7.633 -8.624 5.255 271 HA VAL 41 HA VAL 41 -8.500 -6.901 7.286 272 HB VAL 41 HB VAL 41 -8.879 -5.251 4.929 273 1HG1 VAL 41 HG11 VAL 41 -8.908 -4.501 7.292 274 2HG1 VAL 41 HG12 VAL 41 -7.723 -3.541 6.325 275 3HG1 VAL 41 HG13 VAL 41 -7.141 -4.839 7.439 276 1HG2 VAL 41 HG21 VAL 41 -6.836 -6.287 3.894 277 2HG2 VAL 41 HG22 VAL 41 -5.879 -5.832 5.352 278 3HG2 VAL 41 HG23 VAL 41 -6.587 -4.551 4.313 279 H GLY 42 HN GLY 42 -10.748 -6.125 6.156 280 1HA GLY 42 HA2 GLY 42 -11.790 -8.403 4.656 281 2HA GLY 42 HA1 GLY 42 -12.684 -7.020 5.417 282 H HIS 43 HN HIS 43 -10.356 -7.886 2.876 283 HA HIS 43 HA HIS 43 -11.286 -6.189 0.877 284 1HB HIS 43 HB2 HIS 43 -9.442 -4.926 2.890 285 2HB HIS 43 HB1 HIS 43 -8.682 -4.996 1.279 286 HD1 HIS 43 HD1 HIS 43 -8.994 -2.322 2.124 287 HD2 HIS 43 HD2 HIS 43 -12.183 -4.266 0.212 288 HE1 HIS 43 HE1 HIS 43 -10.412 -0.535 1.043 289 HE2 HIS 43 HE2 HIS 43 -12.341 -1.749 -0.087 290 H GLY 44 HN GLY 44 -8.442 -7.491 2.706 291 1HA GLY 44 HA2 GLY 44 -8.142 -9.788 1.504 292 2HA GLY 44 HA1 GLY 44 -7.307 -8.647 0.358 293 H LEU 45 HN LEU 45 -5.492 -7.363 1.123 294 HA LEU 45 HA LEU 45 -4.422 -7.495 3.631 295 1HB LEU 45 HB2 LEU 45 -3.765 -9.640 3.451 296 2HB LEU 45 HB1 LEU 45 -3.789 -9.707 1.655 297 HG LEU 45 HG LEU 45 -1.487 -8.418 3.229 298 1HD1 LEU 45 HD11 LEU 45 -0.276 -10.575 2.975 299 2HD1 LEU 45 HD12 LEU 45 -1.701 -11.315 2.168 300 3HD1 LEU 45 HD13 LEU 45 -1.797 -10.854 3.895 301 1HD2 LEU 45 HD21 LEU 45 -1.713 -9.601 0.374 302 2HD2 LEU 45 HD22 LEU 45 -0.202 -8.970 1.119 303 3HD2 LEU 45 HD23 LEU 45 -1.555 -7.850 0.739 304 H ALA 46 HN ALA 46 -1.945 -6.355 2.731 305 HA ALA 46 HA ALA 46 -2.586 -4.709 0.509 306 1HB ALA 46 HB1 ALA 46 -2.139 -3.441 3.313 307 2HB ALA 46 HB2 ALA 46 -3.736 -3.469 2.501 308 3HB ALA 46 HB3 ALA 46 -2.373 -2.555 1.765 309 H CYS 47 HN CYS 47 -0.391 -2.885 1.018 310 HA CYS 47 HA CYS 47 1.768 -4.883 1.453 311 1HB CYS 47 HB2 CYS 47 1.589 -4.457 -0.993 312 2HB CYS 47 HB1 CYS 47 1.520 -2.700 -0.701 313 H TRP 48 HN TRP 48 3.721 -3.637 2.416 314 HA TRP 48 HA TRP 48 2.746 -1.262 3.886 315 1HB TRP 48 HB2 TRP 48 3.773 -3.102 5.277 316 2HB TRP 48 HB1 TRP 48 5.274 -2.953 4.313 317 HD1 TRP 48 HD1 TRP 48 6.886 -0.781 4.945 318 HE1 TRP 48 HE1 TRP 48 6.834 0.969 6.862 319 HE3 TRP 48 HE3 TRP 48 2.361 -2.009 6.959 320 HZ2 TRP 48 HZ2 TRP 48 5.094 1.652 8.995 321 HZ3 TRP 48 HZ3 TRP 48 1.565 -0.804 8.957 322 HH2 TRP 48 HH2 TRP 48 2.905 1.012 9.959 323 H CYS 49 HN CYS 49 4.180 0.753 3.752 324 HA CYS 49 HA CYS 49 6.493 0.415 2.128 325 1HB CYS 49 HB2 CYS 49 4.255 2.362 1.329 326 2HB CYS 49 HB1 CYS 49 5.976 2.781 1.046 327 H ASN 50 HN ASN 50 7.960 2.144 2.751 328 HA ASN 50 HA ASN 50 7.014 3.611 5.110 329 1HB ASN 50 HB2 ASN 50 9.108 1.635 5.055 330 2HB ASN 50 HB1 ASN 50 9.995 3.181 4.916 331 1HD2 ASN 50 HD22 ASN 50 10.219 4.425 6.877 332 2HD2 ASN 50 HD21 ASN 50 9.400 4.046 8.359 333 H ALA 51 HN ALA 51 7.555 5.777 4.962 334 HA ALA 51 HA ALA 51 8.284 7.652 4.298 335 1HB ALA 51 HB1 ALA 51 10.418 7.980 3.087 336 2HB ALA 51 HB2 ALA 51 10.443 6.225 2.677 337 3HB ALA 51 HB3 ALA 51 10.590 6.745 4.393 338 H LEU 52 HN LEU 52 6.011 7.081 3.114 339 HA LEU 52 HA LEU 52 6.402 7.514 0.226 340 1HB LEU 52 HB2 LEU 52 3.911 6.957 1.896 341 2HB LEU 52 HB1 LEU 52 3.807 7.570 0.215 342 HG LEU 52 HG LEU 52 5.311 5.012 0.974 343 1HD1 LEU 52 HD11 LEU 52 2.392 5.372 0.025 344 2HD1 LEU 52 HD12 LEU 52 2.960 4.685 1.600 345 3HD1 LEU 52 HD13 LEU 52 3.283 3.809 0.061 346 1HD2 LEU 52 HD21 LEU 52 5.966 6.048 -1.227 347 2HD2 LEU 52 HD22 LEU 52 4.265 6.007 -1.768 348 3HD2 LEU 52 HD23 LEU 52 5.143 4.475 -1.449 349 HA PRO 53 HA PRO 53 5.752 11.804 1.442 350 1HB PRO 53 HB2 PRO 53 5.227 12.314 -1.514 351 2HB PRO 53 HB1 PRO 53 6.436 13.112 -0.443 352 1HG PRO 53 HG1 PRO 53 7.176 11.272 -2.361 353 2HG PRO 53 HG2 PRO 53 8.001 11.318 -0.747 354 1HD PRO 53 HD1 PRO 53 5.759 9.412 -1.642 355 2HD PRO 53 HD2 PRO 53 7.297 9.061 -0.752 356 H ASP 54 HN ASP 54 3.987 13.536 1.042 357 HA ASP 54 HA ASP 54 1.496 12.141 1.272 358 1HB ASP 54 HB2 ASP 54 2.149 15.122 1.442 359 2HB ASP 54 HB1 ASP 54 0.589 14.348 1.949 360 H ASN 55 HN ASN 55 2.788 12.391 -1.548 361 HA ASN 55 HA ASN 55 0.436 13.612 -2.823 362 1HB ASN 55 HB2 ASN 55 1.512 13.421 -4.947 363 2HB ASN 55 HB1 ASN 55 2.683 14.207 -3.838 364 1HD2 ASN 55 HD22 ASN 55 2.570 11.995 -6.316 365 2HD2 ASN 55 HD21 ASN 55 3.860 10.925 -5.848 366 H VAL 56 HN VAL 56 1.484 10.810 -1.338 367 HA VAL 56 HA VAL 56 0.130 9.014 -3.200 368 HB VAL 56 HB VAL 56 1.782 8.131 -0.790 369 1HG1 VAL 56 HG11 VAL 56 0.516 6.354 -2.066 370 2HG1 VAL 56 HG12 VAL 56 2.266 6.183 -2.354 371 3HG1 VAL 56 HG13 VAL 56 1.228 6.940 -3.610 372 1HG2 VAL 56 HG21 VAL 56 2.924 9.052 -3.515 373 2HG2 VAL 56 HG22 VAL 56 3.829 8.109 -2.270 374 3HG2 VAL 56 HG23 VAL 56 3.287 9.756 -1.913 375 H GLY 57 HN GLY 57 -0.834 7.082 -1.264 376 1HA GLY 57 HA2 GLY 57 -2.265 8.471 0.719 377 2HA GLY 57 HA1 GLY 57 -3.219 7.844 -0.726 378 H ILE 58 HN ILE 58 -3.631 6.275 1.671 379 HA ILE 58 HA ILE 58 -2.130 3.973 1.250 380 HB ILE 58 HB ILE 58 -1.351 3.886 3.678 381 1HG1 ILE 58 HG12 ILE 58 -1.671 6.922 3.728 382 2HG1 ILE 58 HG11 ILE 58 -2.809 5.778 4.506 383 1HG2 ILE 58 HG21 ILE 58 0.202 4.346 1.694 384 2HG2 ILE 58 HG22 ILE 58 0.798 4.857 3.304 385 3HG2 ILE 58 HG23 ILE 58 0.144 6.080 2.146 386 1HD1 ILE 58 HD11 ILE 58 -1.151 6.540 6.169 387 2HD1 ILE 58 HD12 ILE 58 0.207 5.935 5.142 388 3HD1 ILE 58 HD13 ILE 58 -0.982 4.778 5.843 389 H ILE 59 HN ILE 59 -3.003 2.811 3.692 390 HA ILE 59 HA ILE 59 -5.737 2.669 3.185 391 HB ILE 59 HB ILE 59 -4.433 1.924 5.848 392 1HG1 ILE 59 HG12 ILE 59 -3.034 0.841 4.276 393 2HG1 ILE 59 HG11 ILE 59 -4.166 -0.379 4.913 394 1HG2 ILE 59 HG21 ILE 59 -6.268 0.171 5.833 395 2HG2 ILE 59 HG22 ILE 59 -6.936 0.917 4.331 396 3HG2 ILE 59 HG23 ILE 59 -6.896 1.854 5.870 397 1HD1 ILE 59 HD11 ILE 59 -3.879 -0.738 2.513 398 2HD1 ILE 59 HD12 ILE 59 -4.252 0.973 2.142 399 3HD1 ILE 59 HD13 ILE 59 -5.553 -0.091 2.770 400 H VAL 60 HN VAL 60 -7.112 4.302 3.458 401 HA VAL 60 HA VAL 60 -6.789 6.218 5.602 402 HB VAL 60 HB VAL 60 -8.942 5.706 3.473 403 1HG1 VAL 60 HG11 VAL 60 -8.580 8.122 5.317 404 2HG1 VAL 60 HG12 VAL 60 -9.945 6.922 5.354 405 3HG1 VAL 60 HG13 VAL 60 -9.724 7.997 3.919 406 1HG2 VAL 60 HG21 VAL 60 -6.718 6.311 2.482 407 2HG2 VAL 60 HG22 VAL 60 -6.580 7.706 3.618 408 3HG2 VAL 60 HG23 VAL 60 -7.843 7.696 2.338 409 H GLU 61 HN GLU 61 -8.876 3.441 4.604 410 HA GLU 61 HA GLU 61 -9.191 2.556 7.185 411 1HB GLU 61 HB2 GLU 61 -11.130 4.311 7.129 412 2HB GLU 61 HB1 GLU 61 -11.734 3.531 5.655 413 1HG GLU 61 HG2 GLU 61 -13.034 2.908 7.716 414 2HG GLU 61 HG1 GLU 61 -12.314 1.476 6.911 415 H GLY 62 HN GLY 62 -10.471 0.311 6.523 416 1HA GLY 62 HA2 GLY 62 -9.672 -0.306 3.747 417 2HA GLY 62 HA1 GLY 62 -10.028 -1.448 5.103 418 H GLU 63 HN GLU 63 -11.756 1.451 3.984 419 HA GLU 63 HA GLU 63 -14.228 0.115 4.444 420 1HB GLU 63 HB2 GLU 63 -13.761 2.520 5.138 421 2HB GLU 63 HB1 GLU 63 -13.637 2.961 3.408 422 1HG GLU 63 HG2 GLU 63 -15.786 3.670 4.205 423 2HG GLU 63 HG1 GLU 63 -16.104 2.262 3.135 424 H LYS 64 HN LYS 64 -12.512 1.529 1.564 425 HA LYS 64 HA LYS 64 -14.308 0.107 -0.156 426 1HB LYS 64 HB2 LYS 64 -15.464 2.368 0.599 427 2HB LYS 64 HB1 LYS 64 -14.166 3.205 -0.302 428 1HG LYS 64 HG2 LYS 64 -16.313 3.068 -1.513 429 2HG LYS 64 HG1 LYS 64 -15.037 2.225 -2.439 430 1HD LYS 64 HD2 LYS 64 -15.894 0.049 -1.885 431 2HD LYS 64 HD1 LYS 64 -16.906 0.675 -0.540 432 1HE LYS 64 HE2 LYS 64 -17.400 1.354 -3.522 433 2HE LYS 64 HE1 LYS 64 -18.219 0.013 -2.619 434 1HZ LYS 64 HZ1 LYS 64 -19.540 2.006 -2.681 435 2HZ LYS 64 HZ2 LYS 64 -18.320 2.897 -1.904 436 3HZ LYS 64 HZ3 LYS 64 -19.094 1.626 -1.089 437 H CYS 65 HN CYS 65 -13.438 0.749 -2.539 438 HA CYS 65 HA CYS 65 -10.709 1.633 -2.432 439 1HB CYS 65 HB2 CYS 65 -10.470 -0.868 -2.490 440 2HB CYS 65 HB1 CYS 65 -11.722 -0.966 -3.767 441 H HIS 66 HN HIS 66 -10.540 3.062 -4.292 442 HA HIS 66 HA HIS 66 -12.507 2.946 -6.300 443 1HB HIS 66 HB2 HIS 66 -13.290 5.328 -5.984 444 2HB HIS 66 HB1 HIS 66 -13.918 4.247 -4.698 445 HD1 HIS 66 HD1 HIS 66 -11.672 4.395 -2.597 446 HD2 HIS 66 HD2 HIS 66 -13.125 7.708 -4.725 447 HE1 HIS 66 HE1 HIS 66 -11.151 6.468 -1.226 448 HE2 HIS 66 HE2 HIS 66 -12.142 8.422 -2.491 449 H SER 67 HN SER 67 -11.499 4.302 -8.101 450 HA SER 67 HA SER 67 -9.060 5.548 -7.636 451 1HB SER 67 HB2 SER 67 -9.177 2.925 -9.311 452 2HB SER 67 HB1 SER 67 -7.735 3.990 -9.112 453 HG SER 67 HG SER 67 -7.606 3.325 -6.951 454 1HN NH2 68 H1 NH2 68 -8.708 6.260 -10.184 455 2HN NH2 68 H2 NH2 68 -10.177 6.366 -11.099 Start of MODEL 15 1 1H VAL 1 HT1 VAL 1 6.989 12.703 5.236 2 2H VAL 1 HT2 VAL 1 6.672 11.942 6.726 3 3H VAL 1 HT3 VAL 1 5.403 12.654 5.850 4 HA VAL 1 HA VAL 1 5.564 11.092 4.151 5 HB VAL 1 HB VAL 1 7.168 9.180 4.233 6 1HG1 VAL 1 HG11 VAL 1 7.647 11.194 2.861 7 2HG1 VAL 1 HG12 VAL 1 9.164 10.489 3.516 8 3HG1 VAL 1 HG13 VAL 1 8.482 11.985 4.249 9 1HG2 VAL 1 HG21 VAL 1 9.136 9.254 5.750 10 2HG2 VAL 1 HG22 VAL 1 7.621 9.094 6.694 11 3HG2 VAL 1 HG23 VAL 1 8.466 10.686 6.606 12 H ARG 2 HN ARG 2 4.728 8.770 4.289 13 HA ARG 2 HA ARG 2 3.580 8.282 6.984 14 1HB ARG 2 HB2 ARG 2 2.688 6.914 4.365 15 2HB ARG 2 HB1 ARG 2 1.964 6.767 6.000 16 1HG ARG 2 HG2 ARG 2 0.437 8.049 5.016 17 2HG ARG 2 HG1 ARG 2 1.424 9.356 5.744 18 1HD ARG 2 HD2 ARG 2 2.250 10.060 3.581 19 2HD ARG 2 HD1 ARG 2 2.035 8.414 2.876 20 HE ARG 2 HE ARG 2 -0.195 8.859 2.378 21 1HH1 ARG 2 HH21 ARG 2 1.010 11.457 4.539 22 2HH1 ARG 2 HH22 ARG 2 -0.345 12.497 4.244 23 1HH2 ARG 2 HH11 ARG 2 -1.977 10.256 2.013 24 2HH2 ARG 2 HH12 ARG 2 -2.069 11.807 2.786 25 H ASP 3 HN ASP 3 3.410 5.843 7.509 26 HA ASP 3 HA ASP 3 4.994 4.127 5.864 27 1HB ASP 3 HB2 ASP 3 4.830 3.855 8.966 28 2HB ASP 3 HB1 ASP 3 5.678 2.752 7.822 29 H GLY 4 HN GLY 4 3.305 2.361 5.489 30 1HA GLY 4 HA2 GLY 4 1.114 2.321 7.263 31 2HA GLY 4 HA1 GLY 4 0.758 3.168 5.684 32 H TYR 5 HN TYR 5 -0.670 0.920 5.953 33 HA TYR 5 HA TYR 5 0.698 -1.095 4.358 34 1HB TYR 5 HB2 TYR 5 -2.233 -0.721 5.202 35 2HB TYR 5 HB1 TYR 5 -1.733 -1.902 3.938 36 HD1 TYR 5 HD1 TYR 5 -0.079 -3.737 4.577 37 HD2 TYR 5 HD2 TYR 5 -2.134 -1.312 7.471 38 HE1 TYR 5 HE1 TYR 5 0.249 -5.490 6.285 39 HE2 TYR 5 HE2 TYR 5 -1.826 -3.051 9.168 40 HH TYR 5 HH TYR 5 -1.029 -5.151 9.627 41 H ILE 6 HN ILE 6 0.509 -0.940 2.036 42 HA ILE 6 HA ILE 6 -0.291 1.750 1.201 43 HB ILE 6 HB ILE 6 2.017 1.286 0.685 44 1HG1 ILE 6 HG12 ILE 6 0.129 1.645 -1.721 45 2HG1 ILE 6 HG11 ILE 6 0.867 2.910 -0.687 46 1HG2 ILE 6 HG21 ILE 6 1.883 -1.152 0.386 47 2HG2 ILE 6 HG22 ILE 6 2.636 -0.401 -1.042 48 3HG2 ILE 6 HG23 ILE 6 0.921 -0.935 -1.134 49 1HD1 ILE 6 HD11 ILE 6 3.171 2.129 -1.566 50 2HD1 ILE 6 HD12 ILE 6 2.066 2.824 -2.810 51 3HD1 ILE 6 HD13 ILE 6 2.292 1.047 -2.706 52 H ALA 7 HN ALA 7 -1.743 2.077 -0.273 53 HA ALA 7 HA ALA 7 -3.603 -0.041 -0.895 54 1HB ALA 7 HB1 ALA 7 -4.619 1.916 0.328 55 2HB ALA 7 HB2 ALA 7 -5.291 1.770 -1.297 56 3HB ALA 7 HB3 ALA 7 -4.028 3.014 -0.981 57 H GLN 8 HN GLN 8 -4.842 1.750 -2.998 58 HA GLN 8 HA GLN 8 -2.729 2.060 -4.904 59 1HB GLN 8 HB2 GLN 8 -5.642 1.133 -5.452 60 2HB GLN 8 HB1 GLN 8 -4.450 1.592 -6.715 61 1HG GLN 8 HG2 GLN 8 -3.102 -0.365 -6.315 62 2HG GLN 8 HG1 GLN 8 -3.921 -0.732 -4.756 63 1HE2 GLN 8 HE22 GLN 8 -5.529 -2.291 -4.856 64 2HE2 GLN 8 HE21 GLN 8 -6.429 -2.698 -6.303 65 HA PRO 9 HA PRO 9 -4.953 5.828 -3.819 66 1HB PRO 9 HB2 PRO 9 -4.266 6.624 -6.723 67 2HB PRO 9 HB1 PRO 9 -4.100 7.647 -5.238 68 1HG PRO 9 HG1 PRO 9 -1.888 6.452 -6.313 69 2HG PRO 9 HG2 PRO 9 -2.146 6.370 -4.520 70 1HD PRO 9 HD1 PRO 9 -2.772 4.199 -6.599 71 2HD PRO 9 HD2 PRO 9 -1.972 4.061 -4.962 72 H GLU 10 HN GLU 10 -8.179 5.619 -5.484 73 HA GLU 10 HA GLU 10 -6.717 7.538 -4.021 74 1HB GLU 10 HB2 GLU 10 -9.660 6.700 -3.704 75 2HB GLU 10 HB1 GLU 10 -8.911 8.236 -3.153 76 1HG GLU 10 HG2 GLU 10 -9.295 7.309 -6.084 77 2HG GLU 10 HG1 GLU 10 -10.250 8.564 -5.225 78 H ASN 11 HN ASN 11 -8.505 4.461 -3.113 79 HA ASN 11 HA ASN 11 -7.079 4.146 -0.766 80 1HB ASN 11 HB2 ASN 11 -9.000 5.670 0.099 81 2HB ASN 11 HB1 ASN 11 -10.175 4.635 -0.798 82 1HD2 ASN 11 HD22 ASN 11 -11.283 3.889 1.133 83 2HD2 ASN 11 HD21 ASN 11 -10.445 3.100 2.471 84 H CYS 12 HN CYS 12 -7.449 1.857 -0.535 85 HA CYS 12 HA CYS 12 -9.098 0.102 -1.602 86 1HB CYS 12 HB2 CYS 12 -6.917 0.754 -3.661 87 2HB CYS 12 HB1 CYS 12 -7.589 -0.901 -3.546 88 H VAL 13 HN VAL 13 -6.823 -1.823 -2.212 89 HA VAL 13 HA VAL 13 -4.984 -1.254 -0.119 90 HB VAL 13 HB VAL 13 -4.683 -3.718 0.250 91 1HG1 VAL 13 HG11 VAL 13 -6.561 -3.950 1.894 92 2HG1 VAL 13 HG12 VAL 13 -7.319 -2.442 1.223 93 3HG1 VAL 13 HG13 VAL 13 -5.715 -2.377 2.025 94 1HG2 VAL 13 HG21 VAL 13 -5.923 -4.587 -1.733 95 2HG2 VAL 13 HG22 VAL 13 -7.479 -3.966 -1.065 96 3HG2 VAL 13 HG23 VAL 13 -6.566 -5.270 -0.211 97 H TYR 14 HN TYR 14 -2.885 -2.215 -1.082 98 HA TYR 14 HA TYR 14 -3.127 -2.644 -3.945 99 1HB TYR 14 HB2 TYR 14 -0.932 -1.764 -2.223 100 2HB TYR 14 HB1 TYR 14 -0.436 -3.321 -2.910 101 HD1 TYR 14 HD1 TYR 14 0.590 -0.397 -3.349 102 HD2 TYR 14 HD2 TYR 14 -1.809 -3.075 -5.723 103 HE1 TYR 14 HE1 TYR 14 1.395 0.693 -5.380 104 HE2 TYR 14 HE2 TYR 14 -1.028 -1.955 -7.761 105 HH TYR 14 HH TYR 14 1.462 0.622 -7.672 106 H HIS 15 HN HIS 15 -1.266 -5.006 -4.138 107 HA HIS 15 HA HIS 15 -2.415 -6.859 -2.305 108 1HB HIS 15 HB2 HIS 15 -2.656 -7.124 -5.381 109 2HB HIS 15 HB1 HIS 15 -2.562 -8.538 -4.274 110 HD1 HIS 15 HD1 HIS 15 -4.881 -9.389 -4.751 111 HD2 HIS 15 HD2 HIS 15 -4.947 -5.424 -3.369 112 HE1 HIS 15 HE1 HIS 15 -7.291 -8.807 -4.204 113 HE2 HIS 15 HE2 HIS 15 -7.274 -6.414 -3.375 114 H CYS 16 HN CYS 16 -0.720 -8.900 -2.900 115 HA CYS 16 HA CYS 16 1.743 -7.907 -3.735 116 1HB CYS 16 HB2 CYS 16 1.608 -6.735 -1.484 117 2HB CYS 16 HB1 CYS 16 1.124 -8.263 -0.707 118 H PHE 17 HN PHE 17 3.213 -9.857 -3.120 119 HA PHE 17 HA PHE 17 1.752 -12.346 -3.006 120 1HB PHE 17 HB2 PHE 17 4.397 -11.907 -4.571 121 2HB PHE 17 HB1 PHE 17 3.147 -13.165 -4.802 122 HD1 PHE 17 HD1 PHE 17 0.968 -12.491 -5.906 123 HD2 PHE 17 HD2 PHE 17 4.243 -9.710 -5.619 124 HE1 PHE 17 HE1 PHE 17 -0.126 -11.032 -7.569 125 HE2 PHE 17 HE2 PHE 17 3.116 -8.236 -7.252 126 HZ PHE 17 HZ PHE 17 0.942 -8.894 -8.232 127 HA PRO 18 HA PRO 18 3.437 -10.502 0.367 128 1HB PRO 18 HB2 PRO 18 4.124 -13.244 1.573 129 2HB PRO 18 HB1 PRO 18 3.464 -11.802 2.452 130 1HG PRO 18 HG1 PRO 18 1.768 -13.740 1.523 131 2HG PRO 18 HG2 PRO 18 1.334 -11.995 1.301 132 1HD PRO 18 HD1 PRO 18 2.316 -13.967 -0.774 133 2HD PRO 18 HD2 PRO 18 1.291 -12.474 -0.958 134 H GLY 19 HN GLY 19 5.272 -9.234 -0.211 135 1HA GLY 19 HA2 GLY 19 7.278 -8.494 0.387 136 2HA GLY 19 HA1 GLY 19 7.672 -10.093 1.125 137 H SER 20 HN SER 20 6.384 -10.394 -2.034 138 HA SER 20 HA SER 20 9.020 -11.291 -2.878 139 1HB SER 20 HB2 SER 20 6.448 -11.535 -4.522 140 2HB SER 20 HB1 SER 20 7.936 -12.553 -4.601 141 HG SER 20 HG SER 20 5.960 -12.384 -2.565 142 H SER 21 HN SER 21 9.514 -10.889 -5.337 143 HA SER 21 HA SER 21 10.273 -8.467 -5.551 144 1HB SER 21 HB2 SER 21 9.585 -10.147 -8.026 145 2HB SER 21 HB1 SER 21 11.040 -9.112 -7.743 146 HG SER 21 HG SER 21 11.531 -11.296 -7.415 147 H GLY 22 HN GLY 22 7.119 -9.541 -6.769 148 1HA GLY 22 HA2 GLY 22 6.612 -7.462 -8.500 149 2HA GLY 22 HA1 GLY 22 5.384 -8.387 -7.560 150 H CYS 23 HN CYS 23 5.588 -7.562 -4.955 151 HA CYS 23 HA CYS 23 4.725 -4.838 -5.354 152 1HB CYS 23 HB2 CYS 23 3.465 -6.408 -3.742 153 2HB CYS 23 HB1 CYS 23 4.783 -6.046 -2.578 154 H ASP 24 HN ASP 24 7.695 -6.433 -4.516 155 HA ASP 24 HA ASP 24 8.840 -4.328 -3.045 156 1HB ASP 24 HB2 ASP 24 9.893 -6.629 -3.342 157 2HB ASP 24 HB1 ASP 24 10.294 -6.176 -5.034 158 H THR 25 HN THR 25 8.729 -5.007 -6.659 159 HA THR 25 HA THR 25 9.721 -2.469 -7.296 160 HB THR 25 HB THR 25 8.257 -2.907 -9.492 161 HG1 THR 25 HG1 THR 25 7.347 -4.896 -8.315 162 1HG2 THR 25 HG21 THR 25 10.264 -4.191 -10.304 163 2HG2 THR 25 HG22 THR 25 10.795 -4.448 -8.598 164 3HG2 THR 25 HG23 THR 25 10.743 -2.782 -9.289 165 H LEU 26 HN LEU 26 6.238 -3.417 -6.704 166 HA LEU 26 HA LEU 26 5.232 -0.974 -7.643 167 1HB LEU 26 HB2 LEU 26 4.098 -2.912 -5.567 168 2HB LEU 26 HB1 LEU 26 3.272 -1.415 -5.965 169 HG LEU 26 HG LEU 26 2.576 -1.963 -8.022 170 1HD1 LEU 26 HD11 LEU 26 4.512 -4.320 -8.363 171 2HD1 LEU 26 HD12 LEU 26 4.643 -2.712 -9.164 172 3HD1 LEU 26 HD13 LEU 26 3.245 -3.781 -9.508 173 1HD2 LEU 26 HD21 LEU 26 1.402 -4.117 -7.795 174 2HD2 LEU 26 HD22 LEU 26 1.504 -3.309 -6.190 175 3HD2 LEU 26 HD23 LEU 26 2.592 -4.688 -6.563 176 H CYS 27 HN CYS 27 6.344 -2.004 -4.352 177 HA CYS 27 HA CYS 27 5.527 0.320 -3.056 178 1HB CYS 27 HB2 CYS 27 6.286 -1.896 -2.017 179 2HB CYS 27 HB1 CYS 27 7.972 -1.444 -2.382 180 H LYS 28 HN LYS 28 8.642 -0.531 -4.690 181 HA LYS 28 HA LYS 28 10.005 1.787 -4.036 182 1HB LYS 28 HB2 LYS 28 10.265 -0.082 -6.449 183 2HB LYS 28 HB1 LYS 28 11.359 1.328 -6.197 184 1HG LYS 28 HG2 LYS 28 12.106 0.457 -4.023 185 2HG LYS 28 HG1 LYS 28 11.020 -0.958 -4.169 186 1HD LYS 28 HD2 LYS 28 12.228 -1.692 -6.230 187 2HD LYS 28 HD1 LYS 28 13.322 -0.261 -6.101 188 1HE LYS 28 HE2 LYS 28 14.157 -1.104 -3.872 189 2HE LYS 28 HE1 LYS 28 13.060 -2.539 -4.014 190 1HZ LYS 28 HZ1 LYS 28 14.241 -3.078 -6.091 191 2HZ LYS 28 HZ2 LYS 28 15.214 -3.129 -4.702 192 3HZ LYS 28 HZ3 LYS 28 15.339 -1.819 -5.775 193 H GLU 29 HN GLU 29 8.016 1.135 -7.003 194 HA GLU 29 HA GLU 29 8.714 3.613 -8.143 195 1HB GLU 29 HB2 GLU 29 6.994 3.180 -9.848 196 2HB GLU 29 HB1 GLU 29 7.979 1.715 -9.519 197 1HG GLU 29 HG2 GLU 29 6.128 0.899 -7.979 198 2HG GLU 29 HG1 GLU 29 5.113 2.287 -8.500 199 H LYS 30 HN LYS 30 6.579 2.991 -5.547 200 HA LYS 30 HA LYS 30 5.078 5.466 -6.043 201 1HB LYS 30 HB2 LYS 30 4.771 3.269 -3.931 202 2HB LYS 30 HB1 LYS 30 3.722 4.719 -4.023 203 1HG LYS 30 HG2 LYS 30 3.961 2.751 -6.388 204 2HG LYS 30 HG1 LYS 30 2.930 2.418 -4.975 205 1HD LYS 30 HD2 LYS 30 1.497 3.313 -6.652 206 2HD LYS 30 HD1 LYS 30 1.634 4.514 -5.330 207 1HE LYS 30 HE2 LYS 30 1.605 5.563 -7.615 208 2HE LYS 30 HE1 LYS 30 3.136 5.937 -6.737 209 1HZ LYS 30 HZ1 LYS 30 2.777 3.817 -8.794 210 2HZ LYS 30 HZ2 LYS 30 4.219 4.199 -7.979 211 3HZ LYS 30 HZ3 LYS 30 3.508 5.334 -9.021 212 H GLY 31 HN GLY 31 8.025 4.524 -4.690 213 1HA GLY 31 HA2 GLY 31 9.377 6.109 -3.803 214 2HA GLY 31 HA1 GLY 31 7.986 6.917 -2.986 215 H GLY 32 HN GLY 32 7.692 3.524 -2.684 216 1HA GLY 32 HA2 GLY 32 8.144 3.785 0.126 217 2HA GLY 32 HA1 GLY 32 7.602 2.363 -0.848 218 H THR 33 HN THR 33 10.053 3.505 1.093 219 HA THR 33 HA THR 33 12.221 2.737 -0.730 220 HB THR 33 HB THR 33 12.161 4.507 1.766 221 HG1 THR 33 HG1 THR 33 10.994 5.220 -0.242 222 1HG2 THR 33 HG21 THR 33 14.331 4.077 -0.421 223 2HG2 THR 33 HG22 THR 33 14.470 3.600 1.315 224 3HG2 THR 33 HG23 THR 33 14.376 5.338 0.868 225 H SER 34 HN SER 34 10.339 1.393 1.777 226 HA SER 34 HA SER 34 11.906 -0.853 1.628 227 1HB SER 34 HB2 SER 34 11.729 -1.045 4.382 228 2HB SER 34 HB1 SER 34 13.234 -0.527 3.541 229 HG SER 34 HG SER 34 12.651 1.577 3.796 230 H GLY 35 HN GLY 35 10.178 -2.570 2.947 231 1HA GLY 35 HA2 GLY 35 7.679 -1.495 3.348 232 2HA GLY 35 HA1 GLY 35 7.884 -2.128 1.642 233 H HIS 36 HN HIS 36 6.177 -3.803 2.735 234 HA HIS 36 HA HIS 36 7.481 -6.132 3.428 235 1HB HIS 36 HB2 HIS 36 5.705 -4.853 5.646 236 2HB HIS 36 HB1 HIS 36 6.373 -6.519 5.651 237 HD1 HIS 36 HD1 HIS 36 7.175 -3.033 6.614 238 HD2 HIS 36 HD2 HIS 36 9.274 -6.636 6.105 239 HE1 HIS 36 HE1 HIS 36 9.420 -2.765 7.750 240 HE2 HIS 36 HE2 HIS 36 10.655 -4.953 7.418 241 H CYS 37 HN CYS 37 4.783 -7.263 4.352 242 HA CYS 37 HA CYS 37 2.787 -5.910 2.937 243 1HB CYS 37 HB2 CYS 37 3.689 -8.738 2.021 244 2HB CYS 37 HB1 CYS 37 2.103 -7.991 1.620 245 H GLY 38 HN GLY 38 0.663 -7.312 3.714 246 1HA GLY 38 HA2 GLY 38 1.105 -9.369 5.454 247 2HA GLY 38 HA1 GLY 38 1.090 -7.788 6.373 248 H PHE 39 HN PHE 39 -1.106 -9.037 7.131 249 HA PHE 39 HA PHE 39 -3.207 -7.842 5.636 250 1HB PHE 39 HB2 PHE 39 -3.092 -10.298 4.752 251 2HB PHE 39 HB1 PHE 39 -3.097 -10.861 6.457 252 HD1 PHE 39 HD1 PHE 39 -5.141 -11.858 6.937 253 HD2 PHE 39 HD2 PHE 39 -5.165 -8.341 4.444 254 HE1 PHE 39 HE1 PHE 39 -7.585 -12.017 6.720 255 HE2 PHE 39 HE2 PHE 39 -7.603 -8.517 4.235 256 HZ PHE 39 HZ PHE 39 -8.831 -10.375 5.338 257 H LYS 40 HN LYS 40 -4.678 -7.247 7.349 258 HA LYS 40 HA LYS 40 -4.606 -8.444 9.876 259 1HB LYS 40 HB2 LYS 40 -2.561 -6.892 10.113 260 2HB LYS 40 HB1 LYS 40 -3.619 -5.510 9.660 261 1HG LYS 40 HG2 LYS 40 -4.983 -5.923 11.751 262 2HG LYS 40 HG1 LYS 40 -3.973 -7.363 12.114 263 1HD LYS 40 HD2 LYS 40 -3.224 -5.557 13.527 264 2HD LYS 40 HD1 LYS 40 -1.947 -5.890 12.308 265 1HE LYS 40 HE2 LYS 40 -2.752 -3.871 10.972 266 2HE LYS 40 HE1 LYS 40 -3.993 -3.552 12.247 267 1HZ LYS 40 HZ1 LYS 40 -1.043 -3.598 12.633 268 2HZ LYS 40 HZ2 LYS 40 -2.206 -3.293 13.833 269 3HZ LYS 40 HZ3 LYS 40 -2.030 -2.220 12.531 270 H VAL 41 HN VAL 41 -6.373 -8.594 8.054 271 HA VAL 41 HA VAL 41 -7.984 -7.985 6.831 272 HB VAL 41 HB VAL 41 -8.918 -5.927 8.769 273 1HG1 VAL 41 HG11 VAL 41 -10.292 -8.152 7.063 274 2HG1 VAL 41 HG12 VAL 41 -10.262 -6.427 6.585 275 3HG1 VAL 41 HG13 VAL 41 -11.159 -6.931 8.057 276 1HG2 VAL 41 HG21 VAL 41 -10.010 -7.846 10.045 277 2HG2 VAL 41 HG22 VAL 41 -8.236 -7.760 10.243 278 3HG2 VAL 41 HG23 VAL 41 -8.964 -8.991 9.135 279 H GLY 42 HN GLY 42 -9.026 -5.107 6.676 280 1HA GLY 42 HA2 GLY 42 -7.917 -3.097 5.849 281 2HA GLY 42 HA1 GLY 42 -6.942 -4.246 4.810 282 H HIS 43 HN HIS 43 -7.890 -4.380 2.844 283 HA HIS 43 HA HIS 43 -10.804 -4.748 2.693 284 1HB HIS 43 HB2 HIS 43 -8.898 -3.649 0.544 285 2HB HIS 43 HB1 HIS 43 -10.657 -3.793 0.392 286 HD1 HIS 43 HD1 HIS 43 -9.714 -1.205 -0.251 287 HD2 HIS 43 HD2 HIS 43 -10.238 -2.112 3.809 288 HE1 HIS 43 HE1 HIS 43 -9.873 0.987 0.980 289 HE2 HIS 43 HE2 HIS 43 -10.142 0.408 3.437 290 H GLY 44 HN GLY 44 -7.607 -6.214 2.447 291 1HA GLY 44 HA2 GLY 44 -8.455 -8.601 1.650 292 2HA GLY 44 HA1 GLY 44 -7.918 -7.668 0.153 293 H LEU 45 HN LEU 45 -5.986 -9.327 0.506 294 HA LEU 45 HA LEU 45 -4.055 -8.863 2.496 295 1HB LEU 45 HB2 LEU 45 -4.272 -10.906 0.982 296 2HB LEU 45 HB1 LEU 45 -3.846 -9.880 -0.417 297 HG LEU 45 HG LEU 45 -2.088 -11.418 0.256 298 1HD1 LEU 45 HD11 LEU 45 -0.156 -9.975 0.156 299 2HD1 LEU 45 HD12 LEU 45 -1.086 -8.560 0.743 300 3HD1 LEU 45 HD13 LEU 45 -1.468 -9.281 -0.866 301 1HD2 LEU 45 HD21 LEU 45 -2.439 -11.561 2.706 302 2HD2 LEU 45 HD22 LEU 45 -1.752 -9.901 2.913 303 3HD2 LEU 45 HD23 LEU 45 -0.726 -11.235 2.274 304 H ALA 46 HN ALA 46 -2.431 -7.150 2.541 305 HA ALA 46 HA ALA 46 -2.911 -5.086 0.493 306 1HB ALA 46 HB1 ALA 46 -3.960 -4.474 2.702 307 2HB ALA 46 HB2 ALA 46 -2.545 -3.419 2.348 308 3HB ALA 46 HB3 ALA 46 -2.389 -4.789 3.523 309 H CYS 47 HN CYS 47 -0.786 -3.388 0.737 310 HA CYS 47 HA CYS 47 1.518 -5.259 0.981 311 1HB CYS 47 HB2 CYS 47 1.073 -4.706 -1.406 312 2HB CYS 47 HB1 CYS 47 1.074 -2.980 -1.010 313 H TRP 48 HN TRP 48 3.537 -3.662 1.796 314 HA TRP 48 HA TRP 48 2.346 -1.477 3.337 315 1HB TRP 48 HB2 TRP 48 2.433 -3.279 5.010 316 2HB TRP 48 HB1 TRP 48 4.039 -3.793 4.417 317 HD1 TRP 48 HD1 TRP 48 6.136 -1.938 4.912 318 HE1 TRP 48 HE1 TRP 48 6.509 -0.347 6.864 319 HE3 TRP 48 HE3 TRP 48 1.466 -2.180 6.923 320 HZ2 TRP 48 HZ2 TRP 48 5.003 0.550 9.157 321 HZ3 TRP 48 HZ3 TRP 48 0.974 -0.934 8.998 322 HH2 TRP 48 HH2 TRP 48 2.725 0.409 10.110 323 H CYS 49 HN CYS 49 3.939 0.229 3.679 324 HA CYS 49 HA CYS 49 6.437 -0.147 2.251 325 1HB CYS 49 HB2 CYS 49 4.351 1.957 1.515 326 2HB CYS 49 HB1 CYS 49 6.103 2.178 1.189 327 H ASN 50 HN ASN 50 7.976 1.438 3.003 328 HA ASN 50 HA ASN 50 7.115 2.992 5.347 329 1HB ASN 50 HB2 ASN 50 9.564 1.236 4.839 330 2HB ASN 50 HB1 ASN 50 9.886 2.819 5.599 331 1HD2 ASN 50 HD22 ASN 50 9.992 2.741 7.790 332 2HD2 ASN 50 HD21 ASN 50 9.070 1.693 8.819 333 H ALA 51 HN ALA 51 7.559 5.126 5.136 334 HA ALA 51 HA ALA 51 8.319 7.022 4.547 335 1HB ALA 51 HB1 ALA 51 10.457 7.425 3.407 336 2HB ALA 51 HB2 ALA 51 10.556 5.688 2.943 337 3HB ALA 51 HB3 ALA 51 10.651 6.164 4.682 338 H LEU 52 HN LEU 52 6.118 6.537 3.421 339 HA LEU 52 HA LEU 52 6.449 6.765 0.509 340 1HB LEU 52 HB2 LEU 52 3.965 6.391 2.253 341 2HB LEU 52 HB1 LEU 52 3.842 6.971 0.561 342 HG LEU 52 HG LEU 52 5.150 4.322 1.367 343 1HD1 LEU 52 HD11 LEU 52 2.738 4.232 1.855 344 2HD1 LEU 52 HD12 LEU 52 3.064 3.301 0.348 345 3HD1 LEU 52 HD13 LEU 52 2.335 4.943 0.245 346 1HD2 LEU 52 HD21 LEU 52 4.406 5.456 -1.420 347 2HD2 LEU 52 HD22 LEU 52 4.971 3.781 -1.089 348 3HD2 LEU 52 HD23 LEU 52 6.058 5.172 -0.789 349 HA PRO 53 HA PRO 53 6.094 11.129 1.383 350 1HB PRO 53 HB2 PRO 53 5.162 11.183 -1.550 351 2HB PRO 53 HB1 PRO 53 6.319 12.322 -0.747 352 1HG PRO 53 HG1 PRO 53 7.263 10.331 -2.339 353 2HG PRO 53 HG2 PRO 53 8.046 10.582 -0.719 354 1HD PRO 53 HD1 PRO 53 5.921 8.492 -1.473 355 2HD PRO 53 HD2 PRO 53 7.439 8.293 -0.505 356 H ASP 54 HN ASP 54 4.438 12.957 1.219 357 HA ASP 54 HA ASP 54 2.064 11.916 2.229 358 1HB ASP 54 HB2 ASP 54 2.851 14.774 1.434 359 2HB ASP 54 HB1 ASP 54 1.370 14.350 2.385 360 H ASN 55 HN ASN 55 2.866 12.369 -1.035 361 HA ASN 55 HA ASN 55 0.154 13.110 -1.824 362 1HB ASN 55 HB2 ASN 55 1.021 13.160 -4.151 363 2HB ASN 55 HB1 ASN 55 2.002 14.201 -3.071 364 1HD2 ASN 55 HD22 ASN 55 2.032 11.237 -5.049 365 2HD2 ASN 55 HD21 ASN 55 3.740 10.918 -4.894 366 H VAL 56 HN VAL 56 1.518 10.279 -0.738 367 HA VAL 56 HA VAL 56 0.386 8.660 -2.909 368 HB VAL 56 HB VAL 56 1.999 7.686 -0.502 369 1HG1 VAL 56 HG11 VAL 56 0.638 5.975 -1.755 370 2HG1 VAL 56 HG12 VAL 56 2.391 5.722 -2.032 371 3HG1 VAL 56 HG13 VAL 56 1.391 6.502 -3.307 372 1HG2 VAL 56 HG21 VAL 56 3.986 7.717 -2.088 373 2HG2 VAL 56 HG22 VAL 56 3.437 9.341 -1.606 374 3HG2 VAL 56 HG23 VAL 56 3.015 8.723 -3.236 375 H GLY 57 HN GLY 57 -1.521 7.444 -2.414 376 1HA GLY 57 HA2 GLY 57 -2.678 8.102 0.198 377 2HA GLY 57 HA1 GLY 57 -3.536 7.581 -1.328 378 H ILE 58 HN ILE 58 -3.766 6.243 1.332 379 HA ILE 58 HA ILE 58 -2.601 3.694 0.721 380 HB ILE 58 HB ILE 58 -1.770 3.486 3.078 381 1HG1 ILE 58 HG12 ILE 58 -2.003 6.558 3.172 382 2HG1 ILE 58 HG11 ILE 58 -3.042 5.400 4.081 383 1HG2 ILE 58 HG21 ILE 58 0.416 4.413 2.571 384 2HG2 ILE 58 HG22 ILE 58 -0.282 5.677 1.494 385 3HG2 ILE 58 HG23 ILE 58 -0.320 3.948 1.001 386 1HD1 ILE 58 HD11 ILE 58 -1.012 4.463 5.210 387 2HD1 ILE 58 HD12 ILE 58 -1.232 6.223 5.535 388 3HD1 ILE 58 HD13 ILE 58 0.023 5.677 4.361 389 H ILE 59 HN ILE 59 -3.459 2.536 3.248 390 HA ILE 59 HA ILE 59 -6.141 2.346 2.446 391 HB ILE 59 HB ILE 59 -5.427 1.257 5.165 392 1HG1 ILE 59 HG12 ILE 59 -3.360 0.718 4.089 393 2HG1 ILE 59 HG11 ILE 59 -4.382 -0.734 4.297 394 1HG2 ILE 59 HG21 ILE 59 -7.672 0.879 4.209 395 2HG2 ILE 59 HG22 ILE 59 -6.762 -0.672 4.254 396 3HG2 ILE 59 HG23 ILE 59 -6.973 0.208 2.693 397 1HD1 ILE 59 HD11 ILE 59 -5.087 -0.367 1.778 398 2HD1 ILE 59 HD12 ILE 59 -3.438 -1.020 2.133 399 3HD1 ILE 59 HD13 ILE 59 -3.649 0.708 1.712 400 H VAL 60 HN VAL 60 -8.012 2.992 3.494 401 HA VAL 60 HA VAL 60 -8.034 4.596 5.845 402 HB VAL 60 HB VAL 60 -8.607 5.459 2.937 403 1HG1 VAL 60 HG11 VAL 60 -10.784 5.792 3.974 404 2HG1 VAL 60 HG12 VAL 60 -9.979 7.381 3.758 405 3HG1 VAL 60 HG13 VAL 60 -10.040 6.628 5.401 406 1HG2 VAL 60 HG21 VAL 60 -7.509 7.594 3.657 407 2HG2 VAL 60 HG22 VAL 60 -6.444 6.171 3.919 408 3HG2 VAL 60 HG23 VAL 60 -7.294 6.926 5.319 409 H GLU 61 HN GLU 61 -10.671 4.382 6.328 410 HA GLU 61 HA GLU 61 -12.033 2.795 4.506 411 1HB GLU 61 HB2 GLU 61 -10.796 0.964 5.751 412 2HB GLU 61 HB1 GLU 61 -11.492 1.575 7.298 413 1HG GLU 61 HG2 GLU 61 -13.795 1.000 6.457 414 2HG GLU 61 HG1 GLU 61 -13.099 0.509 4.867 415 H GLY 62 HN GLY 62 -14.305 3.018 5.352 416 1HA GLY 62 HA2 GLY 62 -15.630 4.387 6.987 417 2HA GLY 62 HA1 GLY 62 -14.446 5.697 6.503 418 H GLU 63 HN GLU 63 -13.760 4.973 4.091 419 HA GLU 63 HA GLU 63 -16.109 4.509 2.400 420 1HB GLU 63 HB2 GLU 63 -14.474 6.496 1.884 421 2HB GLU 63 HB1 GLU 63 -13.237 5.254 1.536 422 1HG GLU 63 HG2 GLU 63 -14.881 4.364 -0.306 423 2HG GLU 63 HG1 GLU 63 -15.925 5.779 0.075 424 H LYS 64 HN LYS 64 -13.727 3.197 0.572 425 HA LYS 64 HA LYS 64 -12.484 1.329 2.029 426 1HB LYS 64 HB2 LYS 64 -14.972 0.321 2.052 427 2HB LYS 64 HB1 LYS 64 -14.675 -0.027 0.327 428 1HG LYS 64 HG2 LYS 64 -12.669 -1.438 1.032 429 2HG LYS 64 HG1 LYS 64 -12.925 -0.907 2.729 430 1HD LYS 64 HD2 LYS 64 -15.161 -2.048 2.748 431 2HD LYS 64 HD1 LYS 64 -14.896 -2.587 1.056 432 1HE LYS 64 HE2 LYS 64 -14.389 -4.436 2.634 433 2HE LYS 64 HE1 LYS 64 -12.876 -3.912 1.789 434 1HZ LYS 64 HZ1 LYS 64 -12.344 -2.590 3.756 435 2HZ LYS 64 HZ2 LYS 64 -12.492 -4.243 4.109 436 3HZ LYS 64 HZ3 LYS 64 -13.733 -3.168 4.538 437 H CYS 65 HN CYS 65 -12.549 -0.318 -0.513 438 HA CYS 65 HA CYS 65 -10.780 1.206 -2.013 439 1HB CYS 65 HB2 CYS 65 -10.821 -1.313 -1.928 440 2HB CYS 65 HB1 CYS 65 -12.390 -1.302 -2.759 441 H HIS 66 HN HIS 66 -10.936 2.500 -3.753 442 HA HIS 66 HA HIS 66 -13.585 3.441 -4.355 443 1HB HIS 66 HB2 HIS 66 -12.617 5.289 -5.441 444 2HB HIS 66 HB1 HIS 66 -11.526 4.963 -4.063 445 HD1 HIS 66 HD1 HIS 66 -9.468 3.069 -5.107 446 HD2 HIS 66 HD2 HIS 66 -11.208 5.922 -7.649 447 HE1 HIS 66 HE1 HIS 66 -7.907 3.384 -7.075 448 HE2 HIS 66 HE2 HIS 66 -9.010 5.088 -8.596 449 H SER 67 HN SER 67 -13.254 4.150 -7.218 450 HA SER 67 HA SER 67 -12.316 2.084 -8.721 451 1HB SER 67 HB2 SER 67 -15.412 2.388 -8.436 452 2HB SER 67 HB1 SER 67 -14.608 1.558 -9.824 453 HG SER 67 HG SER 67 -13.923 0.765 -7.222 454 1HN NH2 68 H1 NH2 68 -13.240 4.842 -11.041 455 2HN NH2 68 H2 NH2 68 -13.093 3.113 -11.062 Start of MODEL 16 1 1H VAL 1 HT1 VAL 1 4.673 13.159 5.412 2 2H VAL 1 HT2 VAL 1 6.255 13.126 4.787 3 3H VAL 1 HT3 VAL 1 5.944 12.574 6.370 4 HA VAL 1 HA VAL 1 4.856 11.387 3.916 5 HB VAL 1 HB VAL 1 6.410 9.477 4.288 6 1HG1 VAL 1 HG11 VAL 1 7.837 12.207 4.007 7 2HG1 VAL 1 HG12 VAL 1 7.029 11.273 2.689 8 3HG1 VAL 1 HG13 VAL 1 8.475 10.596 3.508 9 1HG2 VAL 1 HG21 VAL 1 8.303 9.671 5.872 10 2HG2 VAL 1 HG22 VAL 1 6.747 9.711 6.763 11 3HG2 VAL 1 HG23 VAL 1 7.677 11.236 6.497 12 H ARG 2 HN ARG 2 4.308 8.848 4.583 13 HA ARG 2 HA ARG 2 3.517 8.715 7.348 14 1HB ARG 2 HB2 ARG 2 1.316 7.845 7.065 15 2HB ARG 2 HB1 ARG 2 1.358 9.440 6.263 16 1HG ARG 2 HG2 ARG 2 1.331 6.667 4.886 17 2HG ARG 2 HG1 ARG 2 -0.006 7.831 5.093 18 1HD ARG 2 HD2 ARG 2 1.778 9.455 3.727 19 2HD ARG 2 HD1 ARG 2 2.303 7.847 3.127 20 HE ARG 2 HE ARG 2 0.183 7.616 1.981 21 1HH1 ARG 2 HH11 ARG 2 0.053 10.343 4.295 22 2HH1 ARG 2 HH12 ARG 2 -1.351 11.054 3.562 23 1HH2 ARG 2 HH21 ARG 2 -1.634 8.640 0.978 24 2HH2 ARG 2 HH22 ARG 2 -2.363 10.029 1.709 25 H ASP 3 HN ASP 3 2.594 6.153 7.488 26 HA ASP 3 HA ASP 3 4.325 4.520 5.852 27 1HB ASP 3 HB2 ASP 3 4.042 4.176 8.928 28 2HB ASP 3 HB1 ASP 3 5.068 3.204 7.806 29 H GLY 4 HN GLY 4 2.766 2.675 5.292 30 1HA GLY 4 HA2 GLY 4 0.591 2.287 7.022 31 2HA GLY 4 HA1 GLY 4 0.150 3.201 5.502 32 H TYR 5 HN TYR 5 -0.979 0.777 5.520 33 HA TYR 5 HA TYR 5 0.679 -0.987 3.897 34 1HB TYR 5 HB2 TYR 5 -2.252 -0.876 4.718 35 2HB TYR 5 HB1 TYR 5 -1.872 -1.678 3.153 36 HD1 TYR 5 HD1 TYR 5 -2.547 -2.365 6.453 37 HD2 TYR 5 HD2 TYR 5 0.301 -3.319 3.395 38 HE1 TYR 5 HE1 TYR 5 -2.146 -4.557 7.508 39 HE2 TYR 5 HE2 TYR 5 0.739 -5.481 4.445 40 HH TYR 5 HH TYR 5 -0.145 -7.043 5.966 41 H ILE 6 HN ILE 6 0.783 -0.658 1.547 42 HA ILE 6 HA ILE 6 -0.267 1.938 0.763 43 HB ILE 6 HB ILE 6 2.111 1.643 0.328 44 1HG1 ILE 6 HG12 ILE 6 0.248 1.997 -2.115 45 2HG1 ILE 6 HG11 ILE 6 0.806 3.255 -0.965 46 1HG2 ILE 6 HG21 ILE 6 1.289 -0.386 -1.837 47 2HG2 ILE 6 HG22 ILE 6 1.939 -0.858 -0.227 48 3HG2 ILE 6 HG23 ILE 6 2.949 0.098 -1.341 49 1HD1 ILE 6 HD11 ILE 6 3.236 2.626 -1.749 50 2HD1 ILE 6 HD12 ILE 6 2.197 3.467 -2.941 51 3HD1 ILE 6 HD13 ILE 6 2.444 1.687 -3.067 52 H ALA 7 HN ALA 7 -1.796 2.115 -0.478 53 HA ALA 7 HA ALA 7 -3.315 -0.173 -1.444 54 1HB ALA 7 HB1 ALA 7 -5.208 1.496 -1.617 55 2HB ALA 7 HB2 ALA 7 -4.084 2.819 -1.159 56 3HB ALA 7 HB3 ALA 7 -4.514 1.519 0.016 57 H GLN 8 HN GLN 8 -4.769 1.809 -3.272 58 HA GLN 8 HA GLN 8 -2.797 2.338 -5.260 59 1HB GLN 8 HB2 GLN 8 -5.485 0.849 -5.692 60 2HB GLN 8 HB1 GLN 8 -4.499 1.555 -7.019 61 1HG GLN 8 HG2 GLN 8 -2.674 -0.028 -6.627 62 2HG GLN 8 HG1 GLN 8 -3.431 -0.645 -5.118 63 1HE2 GLN 8 HE21 GLN 8 -5.395 -1.942 -5.264 64 2HE2 GLN 8 HE22 GLN 8 -5.970 -2.582 -6.788 65 HA PRO 9 HA PRO 9 -5.181 5.770 -4.127 66 1HB PRO 9 HB2 PRO 9 -5.373 6.679 -7.073 67 2HB PRO 9 HB1 PRO 9 -4.795 7.633 -5.646 68 1HG PRO 9 HG1 PRO 9 -2.974 6.561 -7.385 69 2HG PRO 9 HG2 PRO 9 -2.701 6.435 -5.596 70 1HD PRO 9 HD1 PRO 9 -3.856 4.266 -7.458 71 2HD PRO 9 HD2 PRO 9 -2.565 4.152 -6.168 72 H GLU 10 HN GLU 10 -8.725 5.773 -4.875 73 HA GLU 10 HA GLU 10 -6.577 7.503 -3.848 74 1HB GLU 10 HB2 GLU 10 -9.625 7.602 -3.978 75 2HB GLU 10 HB1 GLU 10 -8.704 8.688 -2.894 76 1HG GLU 10 HG2 GLU 10 -7.432 9.608 -4.836 77 2HG GLU 10 HG1 GLU 10 -8.274 8.471 -5.955 78 H ASN 11 HN ASN 11 -8.597 4.630 -3.190 79 HA ASN 11 HA ASN 11 -7.292 4.307 -0.778 80 1HB ASN 11 HB2 ASN 11 -9.406 5.509 0.061 81 2HB ASN 11 HB1 ASN 11 -10.418 4.434 -0.976 82 1HD2 ASN 11 HD22 ASN 11 -11.515 3.519 0.914 83 2HD2 ASN 11 HD21 ASN 11 -10.626 2.752 2.241 84 H CYS 12 HN CYS 12 -7.405 2.032 -0.694 85 HA CYS 12 HA CYS 12 -9.008 0.279 -1.848 86 1HB CYS 12 HB2 CYS 12 -7.491 1.381 -4.058 87 2HB CYS 12 HB1 CYS 12 -6.750 -0.122 -3.749 88 H VAL 13 HN VAL 13 -6.716 -1.590 -2.591 89 HA VAL 13 HA VAL 13 -4.885 -1.408 -0.423 90 HB VAL 13 HB VAL 13 -5.006 -4.021 -0.322 91 1HG1 VAL 13 HG11 VAL 13 -6.818 -4.056 1.422 92 2HG1 VAL 13 HG12 VAL 13 -7.268 -2.364 0.985 93 3HG1 VAL 13 HG13 VAL 13 -5.646 -2.747 1.683 94 1HG2 VAL 13 HG21 VAL 13 -7.883 -3.540 -1.311 95 2HG2 VAL 13 HG22 VAL 13 -7.129 -5.106 -0.826 96 3HG2 VAL 13 HG23 VAL 13 -6.552 -4.274 -2.303 97 H TYR 14 HN TYR 14 -3.153 -3.125 -1.324 98 HA TYR 14 HA TYR 14 -3.200 -2.969 -4.230 99 1HB TYR 14 HB2 TYR 14 -1.019 -2.765 -2.297 100 2HB TYR 14 HB1 TYR 14 -0.722 -4.255 -3.195 101 HD1 TYR 14 HD1 TYR 14 -0.138 -0.853 -3.250 102 HD2 TYR 14 HD2 TYR 14 -1.364 -3.994 -5.912 103 HE1 TYR 14 HE1 TYR 14 0.555 0.514 -5.162 104 HE2 TYR 14 HE2 TYR 14 -0.732 -2.626 -7.834 105 HH TYR 14 HH TYR 14 -0.083 -0.540 -8.531 106 H HIS 15 HN HIS 15 -1.539 -5.538 -4.479 107 HA HIS 15 HA HIS 15 -3.052 -7.449 -3.108 108 1HB HIS 15 HB2 HIS 15 -2.877 -7.359 -6.190 109 2HB HIS 15 HB1 HIS 15 -3.025 -8.909 -5.268 110 HD1 HIS 15 HD1 HIS 15 -5.202 -6.730 -6.991 111 HD2 HIS 15 HD2 HIS 15 -5.346 -8.496 -3.189 112 HE1 HIS 15 HE1 HIS 15 -7.618 -6.640 -6.197 113 HE2 HIS 15 HE2 HIS 15 -7.648 -7.688 -3.896 114 H CYS 16 HN CYS 16 -1.358 -9.308 -3.120 115 HA CYS 16 HA CYS 16 1.180 -8.753 -3.936 116 1HB CYS 16 HB2 CYS 16 1.034 -7.081 -1.926 117 2HB CYS 16 HB1 CYS 16 0.599 -8.468 -0.896 118 H PHE 17 HN PHE 17 2.062 -10.694 -1.768 119 HA PHE 17 HA PHE 17 0.386 -12.917 -2.415 120 1HB PHE 17 HB2 PHE 17 3.410 -12.494 -3.135 121 2HB PHE 17 HB1 PHE 17 2.453 -13.961 -3.498 122 HD1 PHE 17 HD1 PHE 17 0.417 -13.632 -5.128 123 HD2 PHE 17 HD2 PHE 17 3.452 -10.614 -4.641 124 HE1 PHE 17 HE1 PHE 17 -0.255 -12.606 -7.266 125 HE2 PHE 17 HE2 PHE 17 2.732 -9.570 -6.751 126 HZ PHE 17 HZ PHE 17 0.862 -10.538 -8.056 127 HA PRO 18 HA PRO 18 2.715 -13.321 1.529 128 1HB PRO 18 HB2 PRO 18 3.051 -16.289 0.746 129 2HB PRO 18 HB1 PRO 18 2.615 -15.618 2.362 130 1HG PRO 18 HG1 PRO 18 0.688 -16.677 0.721 131 2HG PRO 18 HG2 PRO 18 0.368 -15.136 1.623 132 1HD PRO 18 HD1 PRO 18 1.109 -15.454 -1.339 133 2HD PRO 18 HD2 PRO 18 -0.048 -14.304 -0.542 134 H GLY 19 HN GLY 19 4.350 -11.990 0.007 135 1HA GLY 19 HA2 GLY 19 6.888 -12.837 0.511 136 2HA GLY 19 HA1 GLY 19 6.403 -13.255 -1.218 137 H SER 20 HN SER 20 8.081 -11.167 -1.227 138 HA SER 20 HA SER 20 6.398 -8.738 -1.119 139 1HB SER 20 HB2 SER 20 9.404 -8.994 -0.475 140 2HB SER 20 HB1 SER 20 8.403 -7.500 -0.346 141 HG SER 20 HG SER 20 8.795 -8.773 1.614 142 H SER 21 HN SER 21 7.659 -10.868 -3.285 143 HA SER 21 HA SER 21 9.629 -9.749 -4.603 144 1HB SER 21 HB2 SER 21 7.364 -11.331 -5.943 145 2HB SER 21 HB1 SER 21 9.130 -11.354 -6.341 146 HG SER 21 HG SER 21 8.824 -13.084 -5.058 147 H GLY 22 HN GLY 22 6.147 -9.155 -5.278 148 1HA GLY 22 HA2 GLY 22 6.807 -7.325 -7.420 149 2HA GLY 22 HA1 GLY 22 5.197 -7.675 -6.692 150 H CYS 23 HN CYS 23 5.605 -7.190 -4.043 151 HA CYS 23 HA CYS 23 4.919 -4.582 -3.860 152 1HB CYS 23 HB2 CYS 23 4.425 -6.242 -2.144 153 2HB CYS 23 HB1 CYS 23 6.153 -6.382 -1.691 154 H ASP 24 HN ASP 24 8.203 -5.955 -3.265 155 HA ASP 24 HA ASP 24 9.335 -3.640 -2.273 156 1HB ASP 24 HB2 ASP 24 10.248 -6.110 -2.403 157 2HB ASP 24 HB1 ASP 24 10.855 -5.662 -4.030 158 H THR 25 HN THR 25 8.527 -4.528 -5.591 159 HA THR 25 HA THR 25 10.234 -2.518 -6.791 160 HB THR 25 HB THR 25 7.928 -4.086 -8.018 161 HG1 THR 25 HG1 THR 25 9.332 -5.607 -7.266 162 1HG2 THR 25 HG21 THR 25 9.267 -3.744 -10.156 163 2HG2 THR 25 HG22 THR 25 10.443 -2.736 -9.233 164 3HG2 THR 25 HG23 THR 25 8.739 -2.187 -9.431 165 H LEU 26 HN LEU 26 6.700 -3.083 -6.082 166 HA LEU 26 HA LEU 26 5.876 -0.717 -7.370 167 1HB LEU 26 HB2 LEU 26 4.505 -2.436 -5.214 168 2HB LEU 26 HB1 LEU 26 3.765 -0.945 -5.877 169 HG LEU 26 HG LEU 26 2.718 -2.753 -6.921 170 1HD1 LEU 26 HD11 LEU 26 3.193 -0.748 -8.361 171 2HD1 LEU 26 HD12 LEU 26 2.982 -2.273 -9.295 172 3HD1 LEU 26 HD13 LEU 26 4.631 -1.600 -9.039 173 1HD2 LEU 26 HD21 LEU 26 3.748 -4.478 -8.328 174 2HD2 LEU 26 HD22 LEU 26 4.333 -4.569 -6.632 175 3HD2 LEU 26 HD23 LEU 26 5.400 -3.884 -7.928 176 H CYS 27 HN CYS 27 6.717 -1.515 -3.960 177 HA CYS 27 HA CYS 27 5.991 0.973 -2.957 178 1HB CYS 27 HB2 CYS 27 6.543 -1.141 -1.589 179 2HB CYS 27 HB1 CYS 27 8.274 -0.777 -1.867 180 H LYS 28 HN LYS 28 9.117 -0.136 -4.469 181 HA LYS 28 HA LYS 28 10.370 2.323 -3.688 182 1HB LYS 28 HB2 LYS 28 11.218 0.189 -5.700 183 2HB LYS 28 HB1 LYS 28 12.175 1.680 -5.363 184 1HG LYS 28 HG2 LYS 28 12.323 1.113 -2.954 185 2HG LYS 28 HG1 LYS 28 11.340 -0.357 -3.223 186 1HD LYS 28 HD2 LYS 28 13.104 -1.256 -4.763 187 2HD LYS 28 HD1 LYS 28 14.126 0.194 -4.428 188 1HE LYS 28 HE2 LYS 28 14.201 -0.416 -1.990 189 2HE LYS 28 HE1 LYS 28 13.166 -1.870 -2.315 190 1HZ LYS 28 HZ1 LYS 28 14.916 -2.659 -3.807 191 2HZ LYS 28 HZ2 LYS 28 15.464 -2.457 -2.214 192 3HZ LYS 28 HZ3 LYS 28 15.874 -1.316 -3.406 193 H GLU 29 HN GLU 29 8.594 1.244 -6.627 194 HA GLU 29 HA GLU 29 9.478 3.503 -8.095 195 1HB GLU 29 HB2 GLU 29 8.240 2.796 -9.909 196 2HB GLU 29 HB1 GLU 29 8.671 1.271 -9.058 197 1HG GLU 29 HG2 GLU 29 6.296 1.322 -8.027 198 2HG GLU 29 HG1 GLU 29 5.941 2.736 -9.075 199 H LYS 30 HN LYS 30 6.702 2.908 -5.959 200 HA LYS 30 HA LYS 30 5.505 5.447 -6.692 201 1HB LYS 30 HB2 LYS 30 4.692 3.302 -4.668 202 2HB LYS 30 HB1 LYS 30 3.801 4.847 -4.913 203 1HG LYS 30 HG2 LYS 30 3.480 4.268 -7.345 204 2HG LYS 30 HG1 LYS 30 4.385 2.741 -7.097 205 1HD LYS 30 HD2 LYS 30 2.084 2.151 -7.149 206 2HD LYS 30 HD1 LYS 30 2.654 1.964 -5.465 207 1HE LYS 30 HE2 LYS 30 0.361 2.940 -5.557 208 2HE LYS 30 HE1 LYS 30 1.520 4.118 -4.827 209 1HZ LYS 30 HZ1 LYS 30 0.564 4.137 -7.641 210 2HZ LYS 30 HZ2 LYS 30 1.657 5.236 -6.935 211 3HZ LYS 30 HZ3 LYS 30 0.054 5.163 -6.385 212 H GLY 31 HN GLY 31 7.994 4.410 -4.587 213 1HA GLY 31 HA2 GLY 31 9.422 5.986 -3.889 214 2HA GLY 31 HA1 GLY 31 8.101 7.215 -3.821 215 H GLY 32 HN GLY 32 8.041 3.936 -2.323 216 1HA GLY 32 HA2 GLY 32 8.379 5.212 0.313 217 2HA GLY 32 HA1 GLY 32 7.655 3.597 -0.067 218 H THR 33 HN THR 33 9.854 3.855 1.730 219 HA THR 33 HA THR 33 12.320 3.685 0.341 220 HB THR 33 HB THR 33 13.202 2.773 2.581 221 HG1 THR 33 HG1 THR 33 10.520 3.423 3.386 222 1HG2 THR 33 HG21 THR 33 12.950 5.026 3.680 223 2HG2 THR 33 HG22 THR 33 11.709 5.485 2.453 224 3HG2 THR 33 HG23 THR 33 13.395 5.150 1.947 225 H SER 34 HN SER 34 10.334 1.128 1.990 226 HA SER 34 HA SER 34 10.604 -0.555 -0.166 227 1HB SER 34 HB2 SER 34 12.090 -1.447 2.418 228 2HB SER 34 HB1 SER 34 11.653 -2.545 1.049 229 HG SER 34 HG SER 34 12.994 -0.236 0.326 230 H GLY 35 HN GLY 35 9.560 -2.865 1.302 231 1HA GLY 35 HA2 GLY 35 7.589 -2.058 3.048 232 2HA GLY 35 HA1 GLY 35 7.075 -2.182 1.281 233 H HIS 36 HN HIS 36 6.007 -4.356 2.506 234 HA HIS 36 HA HIS 36 7.505 -6.520 1.741 235 1HB HIS 36 HB2 HIS 36 7.554 -7.665 4.026 236 2HB HIS 36 HB1 HIS 36 8.698 -6.293 3.944 237 HD1 HIS 36 HD1 HIS 36 5.217 -7.028 5.392 238 HD2 HIS 36 HD2 HIS 36 8.412 -4.340 5.840 239 HE1 HIS 36 HE1 HIS 36 4.679 -5.546 7.370 240 HE2 HIS 36 HE2 HIS 36 6.636 -3.955 7.621 241 H CYS 37 HN CYS 37 5.667 -8.396 2.952 242 HA CYS 37 HA CYS 37 3.129 -7.006 2.991 243 1HB CYS 37 HB2 CYS 37 3.722 -9.504 1.262 244 2HB CYS 37 HB1 CYS 37 2.094 -8.803 1.558 245 H GLY 38 HN GLY 38 1.561 -8.362 4.164 246 1HA GLY 38 HA2 GLY 38 1.915 -10.889 5.017 247 2HA GLY 38 HA1 GLY 38 2.466 -9.708 6.322 248 H PHE 39 HN PHE 39 -0.228 -10.863 6.725 249 HA PHE 39 HA PHE 39 -1.912 -8.676 5.704 250 1HB PHE 39 HB2 PHE 39 -2.332 -11.142 4.774 251 2HB PHE 39 HB1 PHE 39 -2.892 -11.514 6.438 252 HD1 PHE 39 HD1 PHE 39 -4.974 -12.238 5.440 253 HD2 PHE 39 HD2 PHE 39 -3.759 -8.120 4.935 254 HE1 PHE 39 HE1 PHE 39 -7.240 -11.642 4.673 255 HE2 PHE 39 HE2 PHE 39 -6.016 -7.560 4.236 256 HZ PHE 39 HZ PHE 39 -7.768 -9.300 4.064 257 H LYS 40 HN LYS 40 -2.867 -7.550 7.438 258 HA LYS 40 HA LYS 40 -2.943 -8.904 10.056 259 1HB LYS 40 HB2 LYS 40 -2.260 -5.939 9.473 260 2HB LYS 40 HB1 LYS 40 -2.626 -6.608 11.100 261 1HG LYS 40 HG2 LYS 40 -0.634 -8.001 11.072 262 2HG LYS 40 HG1 LYS 40 -0.239 -7.543 9.382 263 1HD LYS 40 HD2 LYS 40 -0.451 -5.410 11.589 264 2HD LYS 40 HD1 LYS 40 1.034 -6.391 11.364 265 1HE LYS 40 HE2 LYS 40 1.312 -5.612 9.039 266 2HE LYS 40 HE1 LYS 40 -0.228 -4.665 9.124 267 1HZ LYS 40 HZ1 LYS 40 0.704 -3.241 10.716 268 2HZ LYS 40 HZ2 LYS 40 1.831 -3.387 9.455 269 3HZ LYS 40 HZ3 LYS 40 2.092 -4.205 10.923 270 H VAL 41 HN VAL 41 -4.737 -8.960 7.919 271 HA VAL 41 HA VAL 41 -6.658 -8.509 7.125 272 HB VAL 41 HB VAL 41 -7.290 -6.823 9.553 273 1HG1 VAL 41 HG11 VAL 41 -9.690 -7.667 9.006 274 2HG1 VAL 41 HG12 VAL 41 -9.071 -8.199 7.405 275 3HG1 VAL 41 HG13 VAL 41 -9.068 -6.447 7.871 276 1HG2 VAL 41 HG21 VAL 41 -6.579 -9.033 10.320 277 2HG2 VAL 41 HG22 VAL 41 -7.524 -9.860 9.026 278 3HG2 VAL 41 HG23 VAL 41 -8.367 -9.013 10.377 279 H GLY 42 HN GLY 42 -8.022 -5.977 6.655 280 1HA GLY 42 HA2 GLY 42 -6.822 -3.832 5.993 281 2HA GLY 42 HA1 GLY 42 -6.040 -5.048 4.855 282 H HIS 43 HN HIS 43 -7.250 -5.102 3.032 283 HA HIS 43 HA HIS 43 -10.157 -5.595 3.303 284 1HB HIS 43 HB2 HIS 43 -8.772 -4.619 0.727 285 2HB HIS 43 HB1 HIS 43 -10.504 -4.901 0.977 286 HD1 HIS 43 HD1 HIS 43 -10.395 -2.467 -0.149 287 HD2 HIS 43 HD2 HIS 43 -9.136 -2.625 3.850 288 HE1 HIS 43 HE1 HIS 43 -10.315 -0.082 0.716 289 HE2 HIS 43 HE2 HIS 43 -9.541 -0.227 3.122 290 H GLY 44 HN GLY 44 -6.963 -6.182 1.605 291 1HA GLY 44 HA2 GLY 44 -7.478 -8.932 1.379 292 2HA GLY 44 HA1 GLY 44 -7.283 -7.940 -0.161 293 H LEU 45 HN LEU 45 -5.076 -9.388 0.148 294 HA LEU 45 HA LEU 45 -3.321 -8.522 2.196 295 1HB LEU 45 HB2 LEU 45 -3.654 -10.824 0.846 296 2HB LEU 45 HB1 LEU 45 -2.470 -10.136 -0.289 297 HG LEU 45 HG LEU 45 -1.924 -10.267 2.730 298 1HD1 LEU 45 HD11 LEU 45 -1.539 -12.590 0.732 299 2HD1 LEU 45 HD12 LEU 45 -2.744 -12.527 2.072 300 3HD1 LEU 45 HD13 LEU 45 -0.981 -12.564 2.444 301 1HD2 LEU 45 HD21 LEU 45 0.453 -10.503 2.021 302 2HD2 LEU 45 HD22 LEU 45 -0.272 -9.032 1.268 303 3HD2 LEU 45 HD23 LEU 45 -0.039 -10.533 0.295 304 H ALA 46 HN ALA 46 -2.492 -6.413 2.010 305 HA ALA 46 HA ALA 46 -2.252 -5.291 -0.659 306 1HB ALA 46 HB1 ALA 46 -2.152 -3.092 0.473 307 2HB ALA 46 HB2 ALA 46 -1.988 -3.901 2.075 308 3HB ALA 46 HB3 ALA 46 -3.519 -4.030 1.152 309 H CYS 47 HN CYS 47 -0.190 -3.238 0.039 310 HA CYS 47 HA CYS 47 2.137 -5.027 0.317 311 1HB CYS 47 HB2 CYS 47 2.041 -4.495 -2.079 312 2HB CYS 47 HB1 CYS 47 1.516 -2.826 -1.733 313 H TRP 48 HN TRP 48 3.778 -3.745 1.624 314 HA TRP 48 HA TRP 48 2.376 -1.660 3.177 315 1HB TRP 48 HB2 TRP 48 3.163 -3.564 4.555 316 2HB TRP 48 HB1 TRP 48 4.806 -3.398 3.864 317 HD1 TRP 48 HD1 TRP 48 6.374 -1.423 4.857 318 HE1 TRP 48 HE1 TRP 48 6.186 0.152 6.847 319 HE3 TRP 48 HE3 TRP 48 1.554 -2.502 6.132 320 HZ2 TRP 48 HZ2 TRP 48 4.135 0.893 8.737 321 HZ3 TRP 48 HZ3 TRP 48 0.521 -1.342 8.052 322 HH2 TRP 48 HH2 TRP 48 1.791 0.354 9.335 323 H CYS 49 HN CYS 49 3.775 0.410 3.636 324 HA CYS 49 HA CYS 49 6.253 0.417 2.195 325 1HB CYS 49 HB2 CYS 49 4.005 2.416 1.533 326 2HB CYS 49 HB1 CYS 49 5.718 2.916 1.459 327 H ASN 50 HN ASN 50 7.744 1.724 3.200 328 HA ASN 50 HA ASN 50 6.748 3.254 5.514 329 1HB ASN 50 HB2 ASN 50 9.140 1.446 5.226 330 2HB ASN 50 HB1 ASN 50 9.569 3.067 5.836 331 1HD2 ASN 50 HD21 ASN 50 8.964 3.711 7.935 332 2HD2 ASN 50 HD22 ASN 50 8.088 2.709 9.035 333 H ALA 51 HN ALA 51 6.815 5.361 5.188 334 HA ALA 51 HA ALA 51 7.490 7.317 4.809 335 1HB ALA 51 HB1 ALA 51 10.069 6.356 3.488 336 2HB ALA 51 HB2 ALA 51 9.871 6.693 5.248 337 3HB ALA 51 HB3 ALA 51 9.678 8.029 4.035 338 H LEU 52 HN LEU 52 5.547 6.962 3.494 339 HA LEU 52 HA LEU 52 6.090 7.142 0.647 340 1HB LEU 52 HB2 LEU 52 4.061 5.732 2.097 341 2HB LEU 52 HB1 LEU 52 3.272 7.118 1.513 342 HG LEU 52 HG LEU 52 3.544 6.865 -0.719 343 1HD1 LEU 52 HD11 LEU 52 5.777 6.053 -1.130 344 2HD1 LEU 52 HD12 LEU 52 4.605 4.960 -1.912 345 3HD1 LEU 52 HD13 LEU 52 5.409 4.455 -0.372 346 1HD2 LEU 52 HD21 LEU 52 2.283 4.830 -1.107 347 2HD2 LEU 52 HD22 LEU 52 1.768 5.574 0.443 348 3HD2 LEU 52 HD23 LEU 52 2.842 4.117 0.459 349 HA PRO 53 HA PRO 53 5.140 11.465 1.246 350 1HB PRO 53 HB2 PRO 53 4.334 11.325 -1.719 351 2HB PRO 53 HB1 PRO 53 5.401 12.546 -0.929 352 1HG PRO 53 HG1 PRO 53 6.439 10.524 -2.466 353 2HG PRO 53 HG2 PRO 53 7.254 10.971 -0.911 354 1HD PRO 53 HD1 PRO 53 5.350 8.620 -1.423 355 2HD PRO 53 HD2 PRO 53 6.892 8.694 -0.470 356 H ASP 54 HN ASP 54 3.233 12.949 1.096 357 HA ASP 54 HA ASP 54 0.961 11.467 1.831 358 1HB ASP 54 HB2 ASP 54 1.474 14.464 1.416 359 2HB ASP 54 HB1 ASP 54 -0.070 13.813 2.089 360 H ASN 55 HN ASN 55 2.029 12.690 -1.226 361 HA ASN 55 HA ASN 55 -0.663 12.922 -2.270 362 1HB ASN 55 HB2 ASN 55 0.396 13.698 -4.366 363 2HB ASN 55 HB1 ASN 55 1.018 14.632 -2.964 364 1HD2 ASN 55 HD22 ASN 55 1.967 12.667 -5.685 365 2HD2 ASN 55 HD21 ASN 55 3.658 12.620 -5.310 366 H VAL 56 HN VAL 56 0.932 10.295 -1.392 367 HA VAL 56 HA VAL 56 0.142 8.781 -3.794 368 HB VAL 56 HB VAL 56 1.587 7.551 -1.411 369 1HG1 VAL 56 HG11 VAL 56 1.541 6.930 -4.456 370 2HG1 VAL 56 HG12 VAL 56 0.597 6.035 -3.212 371 3HG1 VAL 56 HG13 VAL 56 2.389 5.992 -3.180 372 1HG2 VAL 56 HG21 VAL 56 2.865 9.158 -3.725 373 2HG2 VAL 56 HG22 VAL 56 3.746 7.970 -2.689 374 3HG2 VAL 56 HG23 VAL 56 3.039 9.444 -1.967 375 H GLY 57 HN GLY 57 -0.695 6.428 -1.946 376 1HA GLY 57 HA2 GLY 57 -2.490 7.644 -0.169 377 2HA GLY 57 HA1 GLY 57 -3.276 7.027 -1.731 378 H ILE 58 HN ILE 58 -3.950 5.675 0.666 379 HA ILE 58 HA ILE 58 -2.419 3.311 0.695 380 HB ILE 58 HB ILE 58 -1.944 3.481 3.136 381 1HG1 ILE 58 HG12 ILE 58 -2.295 6.514 2.952 382 2HG1 ILE 58 HG11 ILE 58 -3.612 5.449 3.530 383 1HG2 ILE 58 HG21 ILE 58 -0.441 5.717 1.646 384 2HG2 ILE 58 HG22 ILE 58 -0.162 3.976 1.323 385 3HG2 ILE 58 HG23 ILE 58 0.175 4.649 2.953 386 1HD1 ILE 58 HD11 ILE 58 -2.287 6.187 5.463 387 2HD1 ILE 58 HD12 ILE 58 -0.771 5.511 4.732 388 3HD1 ILE 58 HD13 ILE 58 -2.101 4.400 5.217 389 H ILE 59 HN ILE 59 -3.588 2.345 3.049 390 HA ILE 59 HA ILE 59 -6.245 2.093 2.200 391 HB ILE 59 HB ILE 59 -5.377 1.413 5.042 392 1HG1 ILE 59 HG12 ILE 59 -3.492 0.603 3.864 393 2HG1 ILE 59 HG11 ILE 59 -4.554 -0.747 4.368 394 1HG2 ILE 59 HG21 ILE 59 -6.944 -0.516 4.638 395 2HG2 ILE 59 HG22 ILE 59 -7.271 0.119 2.976 396 3HG2 ILE 59 HG23 ILE 59 -7.761 1.064 4.427 397 1HD1 ILE 59 HD11 ILE 59 -5.497 -0.583 1.867 398 2HD1 ILE 59 HD12 ILE 59 -3.935 -1.419 2.216 399 3HD1 ILE 59 HD13 ILE 59 -3.933 0.252 1.555 400 H VAL 60 HN VAL 60 -8.007 3.219 2.734 401 HA VAL 60 HA VAL 60 -8.005 4.907 5.140 402 HB VAL 60 HB VAL 60 -9.501 5.366 2.471 403 1HG1 VAL 60 HG11 VAL 60 -10.623 6.413 4.402 404 2HG1 VAL 60 HG12 VAL 60 -9.833 7.664 3.387 405 3HG1 VAL 60 HG13 VAL 60 -9.051 7.148 4.933 406 1HG2 VAL 60 HG21 VAL 60 -7.845 7.224 2.036 407 2HG2 VAL 60 HG22 VAL 60 -7.097 5.609 1.976 408 3HG2 VAL 60 HG23 VAL 60 -6.862 6.648 3.432 409 H GLU 61 HN GLU 61 -10.512 4.732 6.064 410 HA GLU 61 HA GLU 61 -12.183 3.068 4.665 411 1HB GLU 61 HB2 GLU 61 -10.730 1.274 5.703 412 2HB GLU 61 HB1 GLU 61 -11.152 1.876 7.342 413 1HG GLU 61 HG2 GLU 61 -13.303 1.030 5.277 414 2HG GLU 61 HG1 GLU 61 -12.360 -0.221 6.159 415 H GLY 62 HN GLY 62 -14.143 3.060 6.596 416 1HA GLY 62 HA2 GLY 62 -15.552 4.614 7.396 417 2HA GLY 62 HA1 GLY 62 -14.187 5.808 7.537 418 H GLU 63 HN GLU 63 -14.921 3.693 4.722 419 HA GLU 63 HA GLU 63 -15.719 5.405 2.829 420 1HB GLU 63 HB2 GLU 63 -13.454 6.588 3.604 421 2HB GLU 63 HB1 GLU 63 -12.619 5.131 2.986 422 1HG GLU 63 HG2 GLU 63 -13.431 5.674 0.664 423 2HG GLU 63 HG1 GLU 63 -14.434 7.022 1.318 424 H LYS 64 HN LYS 64 -13.976 3.865 0.875 425 HA LYS 64 HA LYS 64 -13.701 1.256 1.748 426 1HB LYS 64 HB2 LYS 64 -16.289 1.451 1.324 427 2HB LYS 64 HB1 LYS 64 -15.897 1.776 -0.393 428 1HG LYS 64 HG2 LYS 64 -14.929 -0.527 -0.601 429 2HG LYS 64 HG1 LYS 64 -15.016 -0.732 1.190 430 1HD LYS 64 HD2 LYS 64 -16.788 -2.021 0.207 431 2HD LYS 64 HD1 LYS 64 -17.522 -0.625 1.068 432 1HE LYS 64 HE2 LYS 64 -17.848 0.555 -1.156 433 2HE LYS 64 HE1 LYS 64 -17.061 -0.842 -1.998 434 1HZ LYS 64 HZ1 LYS 64 -19.561 -0.977 -0.391 435 2HZ LYS 64 HZ2 LYS 64 -18.826 -2.250 -1.230 436 3HZ LYS 64 HZ3 LYS 64 -19.445 -0.922 -2.080 437 H CYS 65 HN CYS 65 -13.176 0.337 -0.918 438 HA CYS 65 HA CYS 65 -11.077 1.998 -1.758 439 1HB CYS 65 HB2 CYS 65 -11.099 -0.425 -2.366 440 2HB CYS 65 HB1 CYS 65 -12.572 -0.172 -3.347 441 H HIS 66 HN HIS 66 -11.000 3.771 -3.301 442 HA HIS 66 HA HIS 66 -13.320 4.159 -4.899 443 1HB HIS 66 HB2 HIS 66 -14.238 6.076 -4.067 444 2HB HIS 66 HB1 HIS 66 -13.761 5.355 -2.492 445 HD1 HIS 66 HD1 HIS 66 -11.441 6.527 -1.487 446 HD2 HIS 66 HD2 HIS 66 -13.404 8.540 -4.604 447 HE1 HIS 66 HE1 HIS 66 -10.678 8.940 -1.423 448 HE2 HIS 66 HE2 HIS 66 -11.887 10.122 -3.309 449 H SER 67 HN SER 67 -12.688 5.796 -6.650 450 HA SER 67 HA SER 67 -10.179 6.846 -6.718 451 1HB SER 67 HB2 SER 67 -9.769 4.139 -7.018 452 2HB SER 67 HB1 SER 67 -10.508 4.429 -8.632 453 HG SER 67 HG SER 67 -8.060 5.043 -7.572 454 1HN NH2 68 H1 NH2 68 -11.828 7.626 -10.001 455 2HN NH2 68 H2 NH2 68 -10.233 7.174 -9.451 Start of MODEL 17 1 1H VAL 1 HT1 VAL 1 6.173 12.731 5.851 2 2H VAL 1 HT2 VAL 1 7.716 12.557 5.154 3 3H VAL 1 HT3 VAL 1 7.382 11.877 6.678 4 HA VAL 1 HA VAL 1 6.081 11.117 4.164 5 HB VAL 1 HB VAL 1 7.349 8.963 4.362 6 1HG1 VAL 1 HG11 VAL 1 8.101 10.802 2.842 7 2HG1 VAL 1 HG12 VAL 1 9.477 9.842 3.481 8 3HG1 VAL 1 HG13 VAL 1 9.134 11.477 4.160 9 1HG2 VAL 1 HG21 VAL 1 9.330 8.824 5.853 10 2HG2 VAL 1 HG22 VAL 1 7.835 9.009 6.826 11 3HG2 VAL 1 HG23 VAL 1 8.936 10.415 6.586 12 H ARG 2 HN ARG 2 5.044 8.829 4.425 13 HA ARG 2 HA ARG 2 4.019 8.501 7.183 14 1HB ARG 2 HB2 ARG 2 2.043 7.319 6.326 15 2HB ARG 2 HB1 ARG 2 2.070 9.005 5.756 16 1HG ARG 2 HG2 ARG 2 3.317 6.993 3.883 17 2HG ARG 2 HG1 ARG 2 1.581 6.749 4.182 18 1HD ARG 2 HD2 ARG 2 2.547 9.570 3.446 19 2HD ARG 2 HD1 ARG 2 2.475 8.293 2.176 20 HE ARG 2 HE ARG 2 0.154 8.293 2.192 21 1HH1 ARG 2 HH21 ARG 2 1.293 10.439 4.821 22 2HH1 ARG 2 HH22 ARG 2 -0.265 11.161 5.054 23 1HH2 ARG 2 HH11 ARG 2 -1.899 9.216 2.572 24 2HH2 ARG 2 HH12 ARG 2 -2.100 10.441 3.780 25 H ASP 3 HN ASP 3 3.345 5.927 7.340 26 HA ASP 3 HA ASP 3 5.067 4.305 5.722 27 1HB ASP 3 HB2 ASP 3 4.521 3.769 8.745 28 2HB ASP 3 HB1 ASP 3 5.436 2.718 7.611 29 H GLY 4 HN GLY 4 3.532 2.396 5.247 30 1HA GLY 4 HA2 GLY 4 1.053 2.495 6.622 31 2HA GLY 4 HA1 GLY 4 0.997 3.184 4.937 32 H TYR 5 HN TYR 5 -0.511 0.996 5.383 33 HA TYR 5 HA TYR 5 0.826 -1.163 3.964 34 1HB TYR 5 HB2 TYR 5 -2.080 -0.475 4.713 35 2HB TYR 5 HB1 TYR 5 -1.689 -1.821 3.580 36 HD1 TYR 5 HD1 TYR 5 -0.337 -3.728 4.405 37 HD2 TYR 5 HD2 TYR 5 -1.902 -0.729 7.064 38 HE1 TYR 5 HE1 TYR 5 -0.241 -5.319 6.276 39 HE2 TYR 5 HE2 TYR 5 -1.830 -2.345 8.937 40 HH TYR 5 HH TYR 5 -1.598 -5.688 8.307 41 H ILE 6 HN ILE 6 0.756 -0.994 1.579 42 HA ILE 6 HA ILE 6 -0.167 1.657 0.718 43 HB ILE 6 HB ILE 6 2.139 1.281 0.173 44 1HG1 ILE 6 HG12 ILE 6 0.232 1.460 -2.237 45 2HG1 ILE 6 HG11 ILE 6 0.754 2.800 -1.168 46 1HG2 ILE 6 HG21 ILE 6 1.097 -1.079 -1.513 47 2HG2 ILE 6 HG22 ILE 6 2.174 -1.154 -0.063 48 3HG2 ILE 6 HG23 ILE 6 2.768 -0.412 -1.573 49 1HD1 ILE 6 HD11 ILE 6 2.003 2.876 -3.277 50 2HD1 ILE 6 HD12 ILE 6 2.501 1.162 -3.121 51 3HD1 ILE 6 HD13 ILE 6 3.161 2.394 -1.981 52 H ALA 7 HN ALA 7 -1.660 1.899 -0.704 53 HA ALA 7 HA ALA 7 -3.316 -0.346 -1.481 54 1HB ALA 7 HB1 ALA 7 -4.031 2.663 -1.226 55 2HB ALA 7 HB2 ALA 7 -4.557 1.392 -0.079 56 3HB ALA 7 HB3 ALA 7 -5.174 1.356 -1.728 57 H GLN 8 HN GLN 8 -4.532 2.070 -3.188 58 HA GLN 8 HA GLN 8 -2.589 2.421 -5.200 59 1HB GLN 8 HB2 GLN 8 -5.504 1.426 -5.692 60 2HB GLN 8 HB1 GLN 8 -4.326 1.858 -6.973 61 1HG GLN 8 HG2 GLN 8 -2.961 -0.141 -6.457 62 2HG GLN 8 HG1 GLN 8 -3.939 -0.497 -4.992 63 1HE2 GLN 8 HE22 GLN 8 -5.492 -2.065 -5.271 64 2HE2 GLN 8 HE21 GLN 8 -6.278 -2.427 -6.792 65 HA PRO 9 HA PRO 9 -5.138 5.981 -3.968 66 1HB PRO 9 HB2 PRO 9 -4.689 6.990 -6.842 67 2HB PRO 9 HB1 PRO 9 -4.458 7.908 -5.300 68 1HG PRO 9 HG1 PRO 9 -2.291 6.946 -6.676 69 2HG PRO 9 HG2 PRO 9 -2.354 6.773 -4.871 70 1HD PRO 9 HD1 PRO 9 -3.050 4.640 -6.976 71 2HD PRO 9 HD2 PRO 9 -2.049 4.503 -5.454 72 H GLU 10 HN GLU 10 -8.380 5.593 -5.568 73 HA GLU 10 HA GLU 10 -6.966 7.591 -4.124 74 1HB GLU 10 HB2 GLU 10 -9.921 6.720 -4.228 75 2HB GLU 10 HB1 GLU 10 -9.339 7.977 -3.112 76 1HG GLU 10 HG2 GLU 10 -10.283 9.119 -4.978 77 2HG GLU 10 HG1 GLU 10 -8.498 9.352 -5.040 78 H ASN 11 HN ASN 11 -8.289 4.290 -3.518 79 HA ASN 11 HA ASN 11 -7.127 4.049 -1.055 80 1HB ASN 11 HB2 ASN 11 -9.385 5.087 -0.259 81 2HB ASN 11 HB1 ASN 11 -10.254 3.953 -1.355 82 1HD2 ASN 11 HD21 ASN 11 -11.340 2.811 0.411 83 2HD2 ASN 11 HD22 ASN 11 -10.458 2.086 1.763 84 H CYS 12 HN CYS 12 -7.366 1.674 -0.924 85 HA CYS 12 HA CYS 12 -8.969 -0.067 -2.062 86 1HB CYS 12 HB2 CYS 12 -6.596 0.232 -4.002 87 2HB CYS 12 HB1 CYS 12 -7.598 -1.251 -3.891 88 H VAL 13 HN VAL 13 -6.648 -2.016 -2.582 89 HA VAL 13 HA VAL 13 -4.813 -1.422 -0.522 90 HB VAL 13 HB VAL 13 -4.584 -4.035 -0.249 91 1HG1 VAL 13 HG11 VAL 13 -4.933 -2.595 1.672 92 2HG1 VAL 13 HG12 VAL 13 -6.047 -3.985 1.802 93 3HG1 VAL 13 HG13 VAL 13 -6.674 -2.367 1.273 94 1HG2 VAL 13 HG21 VAL 13 -6.393 -4.611 -1.897 95 2HG2 VAL 13 HG22 VAL 13 -7.623 -3.886 -0.777 96 3HG2 VAL 13 HG23 VAL 13 -6.650 -5.317 -0.269 97 H TYR 14 HN TYR 14 -2.842 -2.775 -1.412 98 HA TYR 14 HA TYR 14 -3.092 -3.094 -4.288 99 1HB TYR 14 HB2 TYR 14 -0.899 -2.415 -2.529 100 2HB TYR 14 HB1 TYR 14 -0.455 -3.966 -3.252 101 HD1 TYR 14 HD1 TYR 14 -1.737 -3.681 -6.043 102 HD2 TYR 14 HD2 TYR 14 0.544 -0.933 -3.627 103 HE1 TYR 14 HE1 TYR 14 -1.019 -2.483 -8.064 104 HE2 TYR 14 HE2 TYR 14 1.290 0.226 -5.637 105 HH TYR 14 HH TYR 14 1.228 0.313 -7.908 106 H HIS 15 HN HIS 15 -1.142 -5.526 -3.999 107 HA HIS 15 HA HIS 15 -2.590 -7.270 -2.325 108 1HB HIS 15 HB2 HIS 15 -2.399 -7.837 -5.358 109 2HB HIS 15 HB1 HIS 15 -2.315 -9.166 -4.149 110 HD1 HIS 15 HD1 HIS 15 -4.803 -6.641 -5.454 111 HD2 HIS 15 HD2 HIS 15 -4.618 -9.838 -2.743 112 HE1 HIS 15 HE1 HIS 15 -7.178 -7.152 -4.723 113 HE2 HIS 15 HE2 HIS 15 -7.018 -9.068 -3.075 114 H CYS 16 HN CYS 16 -0.691 -9.417 -2.942 115 HA CYS 16 HA CYS 16 1.817 -8.161 -3.059 116 1HB CYS 16 HB2 CYS 16 1.206 -7.791 -0.599 117 2HB CYS 16 HB1 CYS 16 0.747 -9.512 -0.470 118 H PHE 17 HN PHE 17 3.231 -10.434 -2.678 119 HA PHE 17 HA PHE 17 1.737 -12.688 -3.614 120 1HB PHE 17 HB2 PHE 17 4.596 -11.753 -4.500 121 2HB PHE 17 HB1 PHE 17 3.737 -13.233 -5.037 122 HD1 PHE 17 HD1 PHE 17 2.149 -13.079 -6.874 123 HD2 PHE 17 HD2 PHE 17 3.807 -9.475 -5.211 124 HE1 PHE 17 HE1 PHE 17 1.326 -11.795 -8.821 125 HE2 PHE 17 HE2 PHE 17 2.959 -8.195 -7.141 126 HZ PHE 17 HZ PHE 17 1.728 -9.347 -8.952 127 HA PRO 18 HA PRO 18 3.659 -12.675 0.437 128 1HB PRO 18 HB2 PRO 18 3.779 -15.726 -0.022 129 2HB PRO 18 HB1 PRO 18 3.398 -14.872 1.529 130 1HG PRO 18 HG1 PRO 18 1.401 -15.805 -0.125 131 2HG PRO 18 HG2 PRO 18 1.229 -14.192 0.685 132 1HD PRO 18 HD1 PRO 18 1.783 -14.763 -2.226 133 2HD PRO 18 HD2 PRO 18 1.088 -13.292 -1.427 134 H GLY 19 HN GLY 19 5.714 -11.592 0.057 135 1HA GLY 19 HA2 GLY 19 7.980 -12.758 0.754 136 2HA GLY 19 HA1 GLY 19 7.834 -12.943 -1.074 137 H SER 20 HN SER 20 9.615 -11.003 -0.923 138 HA SER 20 HA SER 20 8.334 -8.486 -0.322 139 1HB SER 20 HB2 SER 20 10.723 -7.691 -1.108 140 2HB SER 20 HB1 SER 20 10.576 -8.576 0.455 141 HG SER 20 HG SER 20 12.258 -9.351 -0.916 142 H SER 21 HN SER 21 9.593 -10.424 -3.120 143 HA SER 21 HA SER 21 10.442 -8.712 -4.650 144 1HB SER 21 HB2 SER 21 8.694 -10.902 -5.884 145 2HB SER 21 HB1 SER 21 10.310 -10.298 -6.417 146 HG SER 21 HG SER 21 10.470 -12.258 -5.285 147 H GLY 22 HN GLY 22 7.010 -9.609 -5.545 148 1HA GLY 22 HA2 GLY 22 6.993 -7.503 -7.427 149 2HA GLY 22 HA1 GLY 22 5.596 -8.496 -6.866 150 H CYS 23 HN CYS 23 5.859 -7.803 -4.091 151 HA CYS 23 HA CYS 23 4.193 -5.507 -4.049 152 1HB CYS 23 HB2 CYS 23 3.749 -7.174 -2.427 153 2HB CYS 23 HB1 CYS 23 5.472 -7.379 -2.014 154 H ASP 24 HN ASP 24 7.577 -6.173 -2.939 155 HA ASP 24 HA ASP 24 8.050 -3.578 -2.079 156 1HB ASP 24 HB2 ASP 24 9.449 -5.612 -1.510 157 2HB ASP 24 HB1 ASP 24 10.152 -5.550 -3.163 158 H THR 25 HN THR 25 8.543 -5.099 -5.314 159 HA THR 25 HA THR 25 9.725 -2.894 -6.529 160 HB THR 25 HB THR 25 7.716 -4.747 -7.858 161 HG1 THR 25 HG1 THR 25 9.264 -6.044 -6.828 162 1HG2 THR 25 HG21 THR 25 9.125 -4.311 -9.894 163 2HG2 THR 25 HG22 THR 25 10.254 -3.295 -8.922 164 3HG2 THR 25 HG23 THR 25 8.566 -2.743 -9.226 165 H LEU 26 HN LEU 26 6.183 -3.699 -6.217 166 HA LEU 26 HA LEU 26 5.296 -1.466 -7.679 167 1HB LEU 26 HB2 LEU 26 3.931 -3.106 -5.464 168 2HB LEU 26 HB1 LEU 26 3.080 -1.855 -6.415 169 HG LEU 26 HG LEU 26 4.462 -4.233 -7.769 170 1HD1 LEU 26 HD11 LEU 26 1.527 -4.050 -6.847 171 2HD1 LEU 26 HD12 LEU 26 2.795 -5.150 -6.183 172 3HD1 LEU 26 HD13 LEU 26 2.244 -5.343 -7.889 173 1HD2 LEU 26 HD21 LEU 26 2.842 -3.694 -9.631 174 2HD2 LEU 26 HD22 LEU 26 4.020 -2.379 -9.305 175 3HD2 LEU 26 HD23 LEU 26 2.321 -2.233 -8.722 176 H CYS 27 HN CYS 27 5.809 -2.037 -4.199 177 HA CYS 27 HA CYS 27 4.945 0.401 -3.191 178 1HB CYS 27 HB2 CYS 27 5.558 -1.579 -1.780 179 2HB CYS 27 HB1 CYS 27 7.253 -1.455 -2.327 180 H LYS 28 HN LYS 28 8.243 -0.550 -4.463 181 HA LYS 28 HA LYS 28 9.281 1.969 -3.715 182 1HB LYS 28 HB2 LYS 28 10.406 -0.176 -5.561 183 2HB LYS 28 HB1 LYS 28 11.254 1.367 -5.171 184 1HG LYS 28 HG2 LYS 28 11.120 0.839 -2.720 185 2HG LYS 28 HG1 LYS 28 10.332 -0.714 -3.090 186 1HD LYS 28 HD2 LYS 28 12.640 -1.176 -2.634 187 2HD LYS 28 HD1 LYS 28 12.364 -1.445 -4.386 188 1HE LYS 28 HE2 LYS 28 14.551 -0.302 -3.955 189 2HE LYS 28 HE1 LYS 28 13.455 0.789 -4.891 190 1HZ LYS 28 HZ1 LYS 28 13.956 0.873 -1.958 191 2HZ LYS 28 HZ2 LYS 28 12.897 1.889 -2.816 192 3HZ LYS 28 HZ3 LYS 28 14.568 1.941 -3.131 193 H GLU 29 HN GLU 29 7.818 0.802 -6.798 194 HA GLU 29 HA GLU 29 8.650 3.171 -8.148 195 1HB GLU 29 HB2 GLU 29 7.317 2.523 -10.024 196 2HB GLU 29 HB1 GLU 29 8.212 1.100 -9.397 197 1HG GLU 29 HG2 GLU 29 6.113 0.312 -8.281 198 2HG GLU 29 HG1 GLU 29 5.216 1.738 -8.926 199 H LYS 30 HN LYS 30 6.365 2.876 -5.681 200 HA LYS 30 HA LYS 30 4.930 5.263 -6.687 201 1HB LYS 30 HB2 LYS 30 4.220 3.397 -4.358 202 2HB LYS 30 HB1 LYS 30 3.285 4.844 -4.854 203 1HG LYS 30 HG2 LYS 30 3.726 2.297 -6.522 204 2HG LYS 30 HG1 LYS 30 2.222 2.744 -5.648 205 1HD LYS 30 HD2 LYS 30 1.893 4.688 -7.164 206 2HD LYS 30 HD1 LYS 30 3.452 4.329 -7.995 207 1HE LYS 30 HE2 LYS 30 2.588 2.089 -8.721 208 2HE LYS 30 HE1 LYS 30 0.982 2.476 -7.975 209 1HZ LYS 30 HZ1 LYS 30 1.083 2.914 -10.347 210 2HZ LYS 30 HZ2 LYS 30 2.322 4.050 -10.113 211 3HZ LYS 30 HZ3 LYS 30 0.779 4.328 -9.458 212 H GLY 31 HN GLY 31 7.725 4.561 -5.205 213 1HA GLY 31 HA2 GLY 31 9.056 6.091 -4.322 214 2HA GLY 31 HA1 GLY 31 7.644 7.124 -3.878 215 H GLY 32 HN GLY 32 7.682 3.679 -2.957 216 1HA GLY 32 HA2 GLY 32 7.900 4.433 -0.178 217 2HA GLY 32 HA1 GLY 32 7.651 2.802 -0.925 218 H THR 33 HN THR 33 9.771 4.159 1.102 219 HA THR 33 HA THR 33 12.131 3.926 -0.582 220 HB THR 33 HB THR 33 11.927 4.865 2.308 221 HG1 THR 33 HG1 THR 33 10.537 6.154 1.049 222 1HG2 THR 33 HG21 THR 33 13.938 5.438 0.014 223 2HG2 THR 33 HG22 THR 33 14.256 4.421 1.473 224 3HG2 THR 33 HG23 THR 33 13.972 6.186 1.655 225 H SER 34 HN SER 34 10.260 1.963 1.645 226 HA SER 34 HA SER 34 11.929 -0.161 1.140 227 1HB SER 34 HB2 SER 34 11.834 0.855 4.072 228 2HB SER 34 HB1 SER 34 12.230 -0.854 3.634 229 HG SER 34 HG SER 34 13.597 1.225 2.339 230 H GLY 35 HN GLY 35 10.433 -2.087 2.707 231 1HA GLY 35 HA2 GLY 35 7.857 -1.225 3.100 232 2HA GLY 35 HA1 GLY 35 8.091 -1.899 1.408 233 H HIS 36 HN HIS 36 6.628 -3.709 2.470 234 HA HIS 36 HA HIS 36 8.162 -5.832 3.369 235 1HB HIS 36 HB2 HIS 36 6.098 -4.649 5.370 236 2HB HIS 36 HB1 HIS 36 6.867 -6.265 5.509 237 HD1 HIS 36 HD1 HIS 36 8.994 -6.355 6.833 238 HD2 HIS 36 HD2 HIS 36 7.993 -2.415 5.793 239 HE1 HIS 36 HE1 HIS 36 10.569 -4.818 8.088 240 HE2 HIS 36 HE2 HIS 36 9.920 -2.451 7.436 241 H CYS 37 HN CYS 37 5.434 -7.008 4.315 242 HA CYS 37 HA CYS 37 3.748 -6.532 2.062 243 1HB CYS 37 HB2 CYS 37 5.218 -8.483 1.323 244 2HB CYS 37 HB1 CYS 37 4.984 -9.253 2.917 245 H GLY 38 HN GLY 38 1.530 -7.691 3.081 246 1HA GLY 38 HA2 GLY 38 1.578 -8.399 5.714 247 2HA GLY 38 HA1 GLY 38 1.306 -6.598 5.565 248 H PHE 39 HN PHE 39 -1.080 -7.298 6.302 249 HA PHE 39 HA PHE 39 -2.677 -7.737 3.996 250 1HB PHE 39 HB2 PHE 39 -2.145 -10.089 5.106 251 2HB PHE 39 HB1 PHE 39 -2.866 -9.453 6.613 252 HD1 PHE 39 HD1 PHE 39 -3.451 -11.185 3.541 253 HD2 PHE 39 HD2 PHE 39 -5.384 -8.739 6.495 254 HE1 PHE 39 HE1 PHE 39 -5.632 -12.122 2.880 255 HE2 PHE 39 HE2 PHE 39 -7.573 -9.681 5.828 256 HZ PHE 39 HZ PHE 39 -7.703 -11.384 4.035 257 H LYS 40 HN LYS 40 -4.658 -6.491 4.639 258 HA LYS 40 HA LYS 40 -4.541 -5.435 7.376 259 1HB LYS 40 HB2 LYS 40 -3.821 -3.561 5.815 260 2HB LYS 40 HB1 LYS 40 -5.405 -3.716 4.977 261 1HG LYS 40 HG2 LYS 40 -6.565 -3.217 7.191 262 2HG LYS 40 HG1 LYS 40 -4.950 -3.141 7.978 263 1HD LYS 40 HD2 LYS 40 -4.357 -1.197 6.437 264 2HD LYS 40 HD1 LYS 40 -6.029 -1.261 5.792 265 1HE LYS 40 HE2 LYS 40 -5.805 0.539 7.490 266 2HE LYS 40 HE1 LYS 40 -6.953 -0.737 8.072 267 1HZ LYS 40 HZ1 LYS 40 -5.369 0.049 9.740 268 2HZ LYS 40 HZ2 LYS 40 -4.080 -0.573 8.824 269 3HZ LYS 40 HZ3 LYS 40 -5.258 -1.621 9.457 270 H VAL 41 HN VAL 41 -6.253 -6.464 8.276 271 HA VAL 41 HA VAL 41 -8.207 -7.644 6.632 272 HB VAL 41 HB VAL 41 -8.575 -7.291 9.635 273 1HG1 VAL 41 HG11 VAL 41 -9.588 -9.578 9.356 274 2HG1 VAL 41 HG12 VAL 41 -9.172 -9.565 7.606 275 3HG1 VAL 41 HG13 VAL 41 -10.383 -8.397 8.259 276 1HG2 VAL 41 HG21 VAL 41 -7.184 -9.372 9.951 277 2HG2 VAL 41 HG22 VAL 41 -6.202 -7.956 9.480 278 3HG2 VAL 41 HG23 VAL 41 -6.599 -9.237 8.262 279 H GLY 42 HN GLY 42 -10.327 -6.920 6.212 280 1HA GLY 42 HA2 GLY 42 -12.073 -5.350 6.769 281 2HA GLY 42 HA1 GLY 42 -10.776 -4.095 6.933 282 H HIS 43 HN HIS 43 -9.066 -5.255 4.840 283 HA HIS 43 HA HIS 43 -10.802 -4.931 2.461 284 1HB HIS 43 HB2 HIS 43 -7.930 -4.001 2.954 285 2HB HIS 43 HB1 HIS 43 -8.543 -4.352 1.300 286 HD1 HIS 43 HD1 HIS 43 -8.960 -2.250 0.174 287 HD2 HIS 43 HD2 HIS 43 -10.056 -1.987 4.212 288 HE1 HIS 43 HE1 HIS 43 -9.796 0.099 0.557 289 HE2 HIS 43 HE2 HIS 43 -10.416 0.235 3.021 290 H GLY 44 HN GLY 44 -7.437 -6.239 3.343 291 1HA GLY 44 HA2 GLY 44 -7.884 -8.818 2.976 292 2HA GLY 44 HA1 GLY 44 -7.862 -8.155 1.282 293 H LEU 45 HN LEU 45 -5.915 -9.233 0.819 294 HA LEU 45 HA LEU 45 -3.495 -8.906 2.212 295 1HB LEU 45 HB2 LEU 45 -4.138 -10.802 0.610 296 2HB LEU 45 HB1 LEU 45 -4.154 -9.605 -0.719 297 HG LEU 45 HG LEU 45 -1.675 -9.249 -0.366 298 1HD1 LEU 45 HD11 LEU 45 -1.398 -10.067 1.995 299 2HD1 LEU 45 HD12 LEU 45 -0.351 -10.977 0.851 300 3HD1 LEU 45 HD13 LEU 45 -1.863 -11.732 1.466 301 1HD2 LEU 45 HD21 LEU 45 -2.558 -10.721 -2.161 302 2HD2 LEU 45 HD22 LEU 45 -2.648 -12.110 -1.017 303 3HD2 LEU 45 HD23 LEU 45 -1.051 -11.430 -1.472 304 H ALA 46 HN ALA 46 -1.704 -7.270 1.654 305 HA ALA 46 HA ALA 46 -2.572 -5.157 -0.100 306 1HB ALA 46 HB1 ALA 46 -2.259 -3.427 1.737 307 2HB ALA 46 HB2 ALA 46 -2.014 -4.763 2.937 308 3HB ALA 46 HB3 ALA 46 -3.614 -4.531 2.163 309 H CYS 47 HN CYS 47 -0.411 -3.449 0.369 310 HA CYS 47 HA CYS 47 1.840 -5.358 0.637 311 1HB CYS 47 HB2 CYS 47 1.645 -4.926 -1.750 312 2HB CYS 47 HB1 CYS 47 1.400 -3.177 -1.467 313 H TRP 48 HN TRP 48 3.805 -3.788 1.543 314 HA TRP 48 HA TRP 48 2.497 -1.664 3.089 315 1HB TRP 48 HB2 TRP 48 2.604 -3.503 4.691 316 2HB TRP 48 HB1 TRP 48 4.243 -3.947 4.124 317 HD1 TRP 48 HD1 TRP 48 6.274 -2.194 4.766 318 HE1 TRP 48 HE1 TRP 48 6.653 -0.692 6.712 319 HE3 TRP 48 HE3 TRP 48 1.498 -2.219 6.531 320 HZ2 TRP 48 HZ2 TRP 48 5.008 0.481 8.851 321 HZ3 TRP 48 HZ3 TRP 48 0.942 -0.866 8.526 322 HH2 TRP 48 HH2 TRP 48 2.675 0.471 9.665 323 H CYS 49 HN CYS 49 3.902 0.132 3.534 324 HA CYS 49 HA CYS 49 6.460 0.025 2.122 325 1HB CYS 49 HB2 CYS 49 4.396 2.278 1.791 326 2HB CYS 49 HB1 CYS 49 6.134 2.405 1.360 327 H ASN 50 HN ASN 50 8.000 1.457 3.040 328 HA ASN 50 HA ASN 50 7.113 2.872 5.459 329 1HB ASN 50 HB2 ASN 50 9.754 1.378 4.886 330 2HB ASN 50 HB1 ASN 50 9.680 2.737 6.060 331 1HD2 ASN 50 HD22 ASN 50 8.533 2.470 8.070 332 2HD2 ASN 50 HD21 ASN 50 8.084 0.895 8.642 333 H ALA 51 HN ALA 51 7.625 5.008 5.379 334 HA ALA 51 HA ALA 51 8.059 6.927 4.604 335 1HB ALA 51 HB1 ALA 51 10.361 6.537 5.215 336 2HB ALA 51 HB2 ALA 51 10.315 7.487 3.683 337 3HB ALA 51 HB3 ALA 51 10.671 5.718 3.646 338 H LEU 52 HN LEU 52 6.215 6.756 3.298 339 HA LEU 52 HA LEU 52 6.785 6.936 0.410 340 1HB LEU 52 HB2 LEU 52 4.163 6.565 1.996 341 2HB LEU 52 HB1 LEU 52 4.135 7.226 0.336 342 HG LEU 52 HG LEU 52 5.363 4.502 0.966 343 1HD1 LEU 52 HD11 LEU 52 3.126 3.542 0.152 344 2HD1 LEU 52 HD12 LEU 52 2.437 5.203 0.260 345 3HD1 LEU 52 HD13 LEU 52 3.030 4.381 1.750 346 1HD2 LEU 52 HD21 LEU 52 4.103 5.526 -1.660 347 2HD2 LEU 52 HD22 LEU 52 5.112 4.062 -1.410 348 3HD2 LEU 52 HD23 LEU 52 5.835 5.705 -1.277 349 HA PRO 53 HA PRO 53 6.177 11.227 1.715 350 1HB PRO 53 HB2 PRO 53 5.829 12.506 -0.720 351 2HB PRO 53 HB1 PRO 53 7.421 11.841 -0.199 352 1HG PRO 53 HG1 PRO 53 5.401 10.583 -2.111 353 2HG PRO 53 HG2 PRO 53 7.201 10.671 -2.268 354 1HD PRO 53 HD1 PRO 53 5.758 8.448 -1.242 355 2HD PRO 53 HD2 PRO 53 7.490 8.795 -0.849 356 H ASP 54 HN ASP 54 4.346 12.946 1.571 357 HA ASP 54 HA ASP 54 2.149 11.341 2.355 358 1HB ASP 54 HB2 ASP 54 2.522 14.375 2.313 359 2HB ASP 54 HB1 ASP 54 1.194 13.495 3.183 360 H ASN 55 HN ASN 55 2.841 12.524 -0.692 361 HA ASN 55 HA ASN 55 0.132 13.322 -1.353 362 1HB ASN 55 HB2 ASN 55 1.053 13.692 -3.652 363 2HB ASN 55 HB1 ASN 55 1.967 14.595 -2.401 364 1HD2 ASN 55 HD21 ASN 55 2.388 12.504 -5.104 365 2HD2 ASN 55 HD22 ASN 55 4.020 12.033 -4.767 366 H VAL 56 HN VAL 56 1.635 10.408 -0.764 367 HA VAL 56 HA VAL 56 0.341 9.024 -2.995 368 HB VAL 56 HB VAL 56 2.004 7.776 -0.745 369 1HG1 VAL 56 HG11 VAL 56 2.309 5.992 -2.521 370 2HG1 VAL 56 HG12 VAL 56 1.245 6.916 -3.632 371 3HG1 VAL 56 HG13 VAL 56 0.581 6.226 -2.103 372 1HG2 VAL 56 HG21 VAL 56 3.440 9.519 -1.706 373 2HG2 VAL 56 HG22 VAL 56 2.969 9.086 -3.376 374 3HG2 VAL 56 HG23 VAL 56 3.946 7.944 -2.367 375 H GLY 57 HN GLY 57 -1.566 7.750 -2.508 376 1HA GLY 57 HA2 GLY 57 -2.598 8.252 0.204 377 2HA GLY 57 HA1 GLY 57 -3.565 8.031 -1.333 378 H ILE 58 HN ILE 58 -3.669 6.365 1.171 379 HA ILE 58 HA ILE 58 -2.583 3.856 0.161 380 HB ILE 58 HB ILE 58 -1.712 3.368 2.427 381 1HG1 ILE 58 HG12 ILE 58 -2.082 6.376 3.027 382 2HG1 ILE 58 HG11 ILE 58 -3.137 5.083 3.690 383 1HG2 ILE 58 HG21 ILE 58 -0.291 4.252 0.497 384 2HG2 ILE 58 HG22 ILE 58 0.391 4.563 2.128 385 3HG2 ILE 58 HG23 ILE 58 -0.412 5.895 1.224 386 1HD1 ILE 58 HD11 ILE 58 -0.096 5.319 4.162 387 2HD1 ILE 58 HD12 ILE 58 -1.160 3.994 4.769 388 3HD1 ILE 58 HD13 ILE 58 -1.407 5.685 5.341 389 H ILE 59 HN ILE 59 -3.444 2.703 2.851 390 HA ILE 59 HA ILE 59 -6.048 2.178 1.873 391 HB ILE 59 HB ILE 59 -5.421 1.367 4.708 392 1HG1 ILE 59 HG12 ILE 59 -3.297 0.863 3.736 393 2HG1 ILE 59 HG11 ILE 59 -4.254 -0.628 4.009 394 1HG2 ILE 59 HG21 ILE 59 -6.845 0.097 2.267 395 2HG2 ILE 59 HG22 ILE 59 -7.615 0.831 3.714 396 3HG2 ILE 59 HG23 ILE 59 -6.671 -0.688 3.875 397 1HD1 ILE 59 HD11 ILE 59 -4.878 -0.408 1.426 398 2HD1 ILE 59 HD12 ILE 59 -3.257 -1.046 1.915 399 3HD1 ILE 59 HD13 ILE 59 -3.420 0.654 1.392 400 H VAL 60 HN VAL 60 -7.903 3.058 2.432 401 HA VAL 60 HA VAL 60 -8.138 4.784 4.797 402 HB VAL 60 HB VAL 60 -9.722 4.919 2.144 403 1HG1 VAL 60 HG11 VAL 60 -10.478 7.113 2.974 404 2HG1 VAL 60 HG12 VAL 60 -9.535 6.881 4.503 405 3HG1 VAL 60 HG13 VAL 60 -10.939 5.802 4.114 406 1HG2 VAL 60 HG21 VAL 60 -7.371 5.535 1.608 407 2HG2 VAL 60 HG22 VAL 60 -7.334 6.681 3.003 408 3HG2 VAL 60 HG23 VAL 60 -8.418 6.988 1.592 409 H GLU 61 HN GLU 61 -10.513 4.212 5.818 410 HA GLU 61 HA GLU 61 -11.923 2.237 4.494 411 1HB GLU 61 HB2 GLU 61 -10.131 0.785 5.471 412 2HB GLU 61 HB1 GLU 61 -10.568 1.376 7.134 413 1HG GLU 61 HG2 GLU 61 -12.903 0.330 6.732 414 2HG GLU 61 HG1 GLU 61 -12.295 -0.265 5.140 415 H GLY 62 HN GLY 62 -13.867 1.932 6.162 416 1HA GLY 62 HA2 GLY 62 -15.588 3.236 6.850 417 2HA GLY 62 HA1 GLY 62 -14.433 4.607 7.170 418 H GLU 63 HN GLU 63 -14.594 2.436 4.225 419 HA GLU 63 HA GLU 63 -15.359 4.253 2.376 420 1HB GLU 63 HB2 GLU 63 -13.054 5.326 3.370 421 2HB GLU 63 HB1 GLU 63 -12.275 3.938 2.571 422 1HG GLU 63 HG2 GLU 63 -12.121 5.873 1.096 423 2HG GLU 63 HG1 GLU 63 -13.327 4.767 0.350 424 H LYS 64 HN LYS 64 -13.533 2.942 0.436 425 HA LYS 64 HA LYS 64 -13.206 0.300 0.937 426 1HB LYS 64 HB2 LYS 64 -15.203 -0.690 0.519 427 2HB LYS 64 HB1 LYS 64 -15.984 0.904 0.497 428 1HG LYS 64 HG2 LYS 64 -14.914 -0.551 -2.006 429 2HG LYS 64 HG1 LYS 64 -16.591 -0.569 -1.395 430 1HD LYS 64 HD2 LYS 64 -16.783 1.895 -1.706 431 2HD LYS 64 HD1 LYS 64 -15.103 1.944 -2.350 432 1HE LYS 64 HE2 LYS 64 -15.790 0.363 -4.210 433 2HE LYS 64 HE1 LYS 64 -17.497 0.461 -3.621 434 1HZ LYS 64 HZ1 LYS 64 -17.097 1.992 -5.391 435 2HZ LYS 64 HZ2 LYS 64 -15.792 2.706 -4.569 436 3HZ LYS 64 HZ3 LYS 64 -17.372 2.867 -3.962 437 H CYS 65 HN CYS 65 -12.870 -0.371 -1.676 438 HA CYS 65 HA CYS 65 -10.692 1.153 -2.394 439 1HB CYS 65 HB2 CYS 65 -10.841 -1.240 -2.713 440 2HB CYS 65 HB1 CYS 65 -12.328 -1.080 -3.665 441 H HIS 66 HN HIS 66 -10.255 2.688 -3.887 442 HA HIS 66 HA HIS 66 -10.598 4.583 -4.790 443 1HB HIS 66 HB2 HIS 66 -12.751 3.242 -6.424 444 2HB HIS 66 HB1 HIS 66 -12.188 4.940 -6.678 445 HD1 HIS 66 HD1 HIS 66 -9.654 5.315 -7.114 446 HD2 HIS 66 HD2 HIS 66 -10.844 1.309 -7.488 447 HE1 HIS 66 HE1 HIS 66 -7.712 4.063 -8.106 448 HE2 HIS 66 HE2 HIS 66 -8.492 1.657 -8.406 449 H SER 67 HN SER 67 -13.508 5.514 -5.488 450 HA SER 67 HA SER 67 -13.765 6.937 -3.068 451 1HB SER 67 HB2 SER 67 -15.775 6.725 -5.384 452 2HB SER 67 HB1 SER 67 -15.673 8.034 -4.141 453 HG SER 67 HG SER 67 -14.617 8.634 -6.044 454 1HN NH2 68 H1 NH2 68 -13.873 4.528 -2.020 455 2HN NH2 68 H2 NH2 68 -15.494 4.113 -1.493 Start of MODEL 18 1 1H VAL 1 HT1 VAL 1 4.707 13.133 4.617 2 2H VAL 1 HT2 VAL 1 6.186 12.975 3.792 3 3H VAL 1 HT3 VAL 1 6.114 12.725 5.472 4 HA VAL 1 HA VAL 1 4.747 11.118 3.440 5 HB VAL 1 HB VAL 1 6.341 9.294 4.017 6 1HG1 VAL 1 HG11 VAL 1 6.793 10.772 2.096 7 2HG1 VAL 1 HG12 VAL 1 8.314 10.212 2.858 8 3HG1 VAL 1 HG13 VAL 1 7.737 11.899 3.132 9 1HG2 VAL 1 HG21 VAL 1 6.924 9.963 6.378 10 2HG2 VAL 1 HG22 VAL 1 7.777 11.426 5.760 11 3HG2 VAL 1 HG23 VAL 1 8.390 9.780 5.366 12 H ARG 2 HN ARG 2 4.573 8.655 4.882 13 HA ARG 2 HA ARG 2 4.005 8.977 7.525 14 1HB ARG 2 HB2 ARG 2 1.647 8.262 7.585 15 2HB ARG 2 HB1 ARG 2 1.774 9.900 6.880 16 1HG ARG 2 HG2 ARG 2 1.342 7.310 5.290 17 2HG ARG 2 HG1 ARG 2 0.054 8.427 5.810 18 1HD ARG 2 HD2 ARG 2 0.809 10.235 4.358 19 2HD ARG 2 HD1 ARG 2 2.311 9.368 3.915 20 HE ARG 2 HE ARG 2 -0.223 9.021 2.606 21 1HH1 ARG 2 HH21 ARG 2 2.496 7.046 3.836 22 2HH1 ARG 2 HH22 ARG 2 2.610 6.092 2.397 23 1HH2 ARG 2 HH11 ARG 2 0.056 7.830 0.645 24 2HH2 ARG 2 HH12 ARG 2 1.187 6.521 0.577 25 H ASP 3 HN ASP 3 2.737 6.344 7.673 26 HA ASP 3 HA ASP 3 4.211 4.730 5.787 27 1HB ASP 3 HB2 ASP 3 4.068 4.101 8.826 28 2HB ASP 3 HB1 ASP 3 4.935 3.163 7.559 29 H GLY 4 HN GLY 4 2.673 2.828 5.411 30 1HA GLY 4 HA2 GLY 4 0.560 2.546 7.220 31 2HA GLY 4 HA1 GLY 4 0.040 3.373 5.686 32 H TYR 5 HN TYR 5 -1.202 1.175 5.557 33 HA TYR 5 HA TYR 5 0.431 -0.869 4.264 34 1HB TYR 5 HB2 TYR 5 -2.569 -0.464 4.842 35 2HB TYR 5 HB1 TYR 5 -2.067 -1.612 3.560 36 HD1 TYR 5 HD1 TYR 5 0.025 -3.210 4.414 37 HD2 TYR 5 HD2 TYR 5 -3.079 -1.510 6.860 38 HE1 TYR 5 HE1 TYR 5 0.272 -5.048 5.988 39 HE2 TYR 5 HE2 TYR 5 -2.863 -3.391 8.435 40 HH TYR 5 HH TYR 5 -1.956 -6.091 7.818 41 H ILE 6 HN ILE 6 0.523 -0.897 1.951 42 HA ILE 6 HA ILE 6 -0.467 1.582 0.695 43 HB ILE 6 HB ILE 6 1.991 1.032 0.373 44 1HG1 ILE 6 HG12 ILE 6 0.243 1.132 -2.169 45 2HG1 ILE 6 HG11 ILE 6 0.803 2.524 -1.180 46 1HG2 ILE 6 HG21 ILE 6 2.572 -0.838 -1.175 47 2HG2 ILE 6 HG22 ILE 6 0.848 -1.330 -1.265 48 3HG2 ILE 6 HG23 ILE 6 1.739 -1.431 0.295 49 1HD1 ILE 6 HD11 ILE 6 2.227 2.399 -3.102 50 2HD1 ILE 6 HD12 ILE 6 2.493 0.625 -2.919 51 3HD1 ILE 6 HD13 ILE 6 3.220 1.779 -1.738 52 H ALA 7 HN ALA 7 -1.600 1.407 -1.287 53 HA ALA 7 HA ALA 7 -3.274 -0.769 -1.699 54 1HB ALA 7 HB1 ALA 7 -4.439 1.890 -0.596 55 2HB ALA 7 HB2 ALA 7 -3.953 0.616 0.560 56 3HB ALA 7 HB3 ALA 7 -5.247 0.297 -0.644 57 H GLN 8 HN GLN 8 -5.004 0.720 -3.160 58 HA GLN 8 HA GLN 8 -3.266 2.323 -4.889 59 1HB GLN 8 HB2 GLN 8 -6.169 1.357 -5.298 60 2HB GLN 8 HB1 GLN 8 -5.094 2.044 -6.568 61 1HG GLN 8 HG2 GLN 8 -3.740 0.015 -6.604 62 2HG GLN 8 HG1 GLN 8 -4.518 -0.621 -5.108 63 1HE2 GLN 8 HE22 GLN 8 -6.218 -2.019 -5.339 64 2HE2 GLN 8 HE21 GLN 8 -7.206 -2.145 -6.771 65 HA PRO 9 HA PRO 9 -5.530 5.763 -3.169 66 1HB PRO 9 HB2 PRO 9 -5.953 6.608 -6.097 67 2HB PRO 9 HB1 PRO 9 -5.538 7.666 -4.686 68 1HG PRO 9 HG1 PRO 9 -3.537 6.860 -6.341 69 2HG PRO 9 HG2 PRO 9 -3.298 6.686 -4.550 70 1HD PRO 9 HD1 PRO 9 -4.139 4.493 -6.538 71 2HD PRO 9 HD2 PRO 9 -2.913 4.440 -5.183 72 H GLU 10 HN GLU 10 -9.033 4.838 -3.359 73 HA GLU 10 HA GLU 10 -6.732 5.181 -1.643 74 1HB GLU 10 HB2 GLU 10 -9.133 7.053 -2.071 75 2HB GLU 10 HB1 GLU 10 -8.549 6.823 -0.404 76 1HG GLU 10 HG2 GLU 10 -6.305 7.710 -1.000 77 2HG GLU 10 HG1 GLU 10 -6.791 7.864 -2.730 78 H ASN 11 HN ASN 11 -7.200 3.941 0.133 79 HA ASN 11 HA ASN 11 -8.325 2.638 1.554 80 1HB ASN 11 HB2 ASN 11 -10.460 3.886 1.336 81 2HB ASN 11 HB1 ASN 11 -10.844 2.969 -0.126 82 1HD2 ASN 11 HD21 ASN 11 -10.565 2.774 3.388 83 2HD2 ASN 11 HD22 ASN 11 -11.723 1.479 3.562 84 H CYS 12 HN CYS 12 -8.077 2.218 -1.814 85 HA CYS 12 HA CYS 12 -9.399 -0.371 -1.838 86 1HB CYS 12 HB2 CYS 12 -7.910 0.950 -4.182 87 2HB CYS 12 HB1 CYS 12 -9.185 -0.297 -4.280 88 H VAL 13 HN VAL 13 -8.101 -2.198 -1.204 89 HA VAL 13 HA VAL 13 -5.375 -1.811 -0.900 90 HB VAL 13 HB VAL 13 -5.204 -4.181 -0.270 91 1HG1 VAL 13 HG11 VAL 13 -7.637 -2.684 0.900 92 2HG1 VAL 13 HG12 VAL 13 -5.899 -2.403 1.279 93 3HG1 VAL 13 HG13 VAL 13 -6.636 -3.978 1.675 94 1HG2 VAL 13 HG21 VAL 13 -7.216 -5.607 -0.317 95 2HG2 VAL 13 HG22 VAL 13 -6.666 -5.189 -1.964 96 3HG2 VAL 13 HG23 VAL 13 -8.122 -4.371 -1.268 97 H TYR 14 HN TYR 14 -3.876 -3.619 -1.410 98 HA TYR 14 HA TYR 14 -3.309 -3.377 -4.243 99 1HB TYR 14 HB2 TYR 14 -1.938 -2.738 -1.722 100 2HB TYR 14 HB1 TYR 14 -1.061 -4.076 -2.361 101 HD1 TYR 14 HD1 TYR 14 0.938 -3.141 -3.180 102 HD2 TYR 14 HD2 TYR 14 -2.778 -1.232 -4.176 103 HE1 TYR 14 HE1 TYR 14 2.116 -1.584 -4.677 104 HE2 TYR 14 HE2 TYR 14 -1.620 0.246 -5.753 105 HH TYR 14 HH TYR 14 1.881 -0.124 -6.414 106 H HIS 15 HN HIS 15 -1.165 -5.493 -3.831 107 HA HIS 15 HA HIS 15 -2.468 -7.596 -2.575 108 1HB HIS 15 HB2 HIS 15 -1.783 -7.807 -5.590 109 2HB HIS 15 HB1 HIS 15 -1.728 -9.229 -4.483 110 HD1 HIS 15 HD1 HIS 15 -4.242 -6.945 -6.128 111 HD2 HIS 15 HD2 HIS 15 -4.173 -10.143 -3.408 112 HE1 HIS 15 HE1 HIS 15 -6.640 -7.676 -5.759 113 HE2 HIS 15 HE2 HIS 15 -6.550 -9.630 -4.147 114 H CYS 16 HN CYS 16 -0.286 -9.300 -2.940 115 HA CYS 16 HA CYS 16 2.060 -7.726 -2.700 116 1HB CYS 16 HB2 CYS 16 1.176 -7.760 -0.288 117 2HB CYS 16 HB1 CYS 16 0.754 -9.483 -0.506 118 H PHE 17 HN PHE 17 3.732 -9.577 -2.845 119 HA PHE 17 HA PHE 17 2.639 -12.129 -3.607 120 1HB PHE 17 HB2 PHE 17 5.055 -10.552 -4.805 121 2HB PHE 17 HB1 PHE 17 4.734 -12.292 -5.090 122 HD1 PHE 17 HD1 PHE 17 3.445 -8.798 -5.737 123 HD2 PHE 17 HD2 PHE 17 3.065 -12.988 -6.639 124 HE1 PHE 17 HE1 PHE 17 1.878 -8.270 -7.575 125 HE2 PHE 17 HE2 PHE 17 1.506 -12.448 -8.485 126 HZ PHE 17 HZ PHE 17 0.895 -10.090 -8.940 127 HA PRO 18 HA PRO 18 5.221 -11.648 0.108 128 1HB PRO 18 HB2 PRO 18 4.960 -14.722 -0.009 129 2HB PRO 18 HB1 PRO 18 4.987 -13.676 1.467 130 1HG PRO 18 HG1 PRO 18 2.610 -14.540 0.431 131 2HG PRO 18 HG2 PRO 18 2.766 -12.808 0.939 132 1HD PRO 18 HD1 PRO 18 2.795 -13.963 -1.876 133 2HD PRO 18 HD2 PRO 18 2.176 -12.372 -1.274 134 H GLY 19 HN GLY 19 6.961 -11.091 -1.841 135 1HA GLY 19 HA2 GLY 19 9.307 -12.236 -0.920 136 2HA GLY 19 HA1 GLY 19 8.853 -12.859 -2.589 137 H SER 20 HN SER 20 11.064 -10.904 -2.135 138 HA SER 20 HA SER 20 10.221 -8.360 -2.125 139 1HB SER 20 HB2 SER 20 12.762 -9.402 -3.527 140 2HB SER 20 HB1 SER 20 12.515 -7.779 -2.774 141 HG SER 20 HG SER 20 13.625 -9.220 -1.414 142 H SER 21 HN SER 21 10.775 -10.505 -5.015 143 HA SER 21 HA SER 21 10.967 -8.489 -6.742 144 1HB SER 21 HB2 SER 21 9.713 -11.216 -7.456 145 2HB SER 21 HB1 SER 21 10.821 -10.209 -8.469 146 HG SER 21 HG SER 21 11.926 -11.937 -7.494 147 H GLY 22 HN GLY 22 7.997 -9.732 -5.399 148 1HA GLY 22 HA2 GLY 22 6.458 -8.106 -7.313 149 2HA GLY 22 HA1 GLY 22 5.830 -9.178 -6.024 150 H CYS 23 HN CYS 23 6.395 -8.498 -3.687 151 HA CYS 23 HA CYS 23 5.013 -6.141 -3.431 152 1HB CYS 23 HB2 CYS 23 5.039 -8.050 -1.801 153 2HB CYS 23 HB1 CYS 23 6.684 -7.583 -1.299 154 H ASP 24 HN ASP 24 8.589 -6.614 -3.350 155 HA ASP 24 HA ASP 24 8.995 -4.170 -1.920 156 1HB ASP 24 HB2 ASP 24 10.636 -6.310 -2.126 157 2HB ASP 24 HB1 ASP 24 11.205 -5.500 -3.597 158 H THR 25 HN THR 25 9.362 -5.380 -5.334 159 HA THR 25 HA THR 25 10.105 -3.052 -6.510 160 HB THR 25 HB THR 25 8.059 -4.985 -7.664 161 HG1 THR 25 HG1 THR 25 9.511 -6.482 -7.745 162 1HG2 THR 25 HG21 THR 25 8.730 -2.991 -9.091 163 2HG2 THR 25 HG22 THR 25 9.356 -4.522 -9.797 164 3HG2 THR 25 HG23 THR 25 10.466 -3.435 -8.885 165 H LEU 26 HN LEU 26 6.757 -4.207 -5.756 166 HA LEU 26 HA LEU 26 5.455 -2.092 -7.046 167 1HB LEU 26 HB2 LEU 26 4.523 -3.790 -4.652 168 2HB LEU 26 HB1 LEU 26 3.472 -2.723 -5.614 169 HG LEU 26 HG LEU 26 4.955 -5.109 -6.837 170 1HD1 LEU 26 HD11 LEU 26 3.324 -5.875 -5.121 171 2HD1 LEU 26 HD12 LEU 26 2.746 -6.268 -6.785 172 3HD1 LEU 26 HD13 LEU 26 2.030 -4.882 -5.879 173 1HD2 LEU 26 HD21 LEU 26 2.729 -3.299 -7.952 174 2HD2 LEU 26 HD22 LEU 26 3.354 -4.804 -8.728 175 3HD2 LEU 26 HD23 LEU 26 4.442 -3.390 -8.518 176 H CYS 27 HN CYS 27 6.579 -2.500 -3.727 177 HA CYS 27 HA CYS 27 5.506 -0.075 -2.741 178 1HB CYS 27 HB2 CYS 27 6.338 -2.046 -1.326 179 2HB CYS 27 HB1 CYS 27 8.012 -1.560 -1.711 180 H LYS 28 HN LYS 28 8.768 -0.977 -4.074 181 HA LYS 28 HA LYS 28 9.937 1.508 -3.578 182 1HB LYS 28 HB2 LYS 28 10.539 -0.594 -5.731 183 2HB LYS 28 HB1 LYS 28 11.542 0.883 -5.527 184 1HG LYS 28 HG2 LYS 28 11.149 -1.218 -3.308 185 2HG LYS 28 HG1 LYS 28 12.501 -1.182 -4.485 186 1HD LYS 28 HD2 LYS 28 13.088 1.150 -3.651 187 2HD LYS 28 HD1 LYS 28 11.848 0.947 -2.357 188 1HE LYS 28 HE2 LYS 28 13.078 -1.062 -1.478 189 2HE LYS 28 HE1 LYS 28 14.293 -0.904 -2.811 190 1HZ LYS 28 HZ1 LYS 28 14.793 1.327 -1.928 191 2HZ LYS 28 HZ2 LYS 28 15.149 0.055 -0.864 192 3HZ LYS 28 HZ3 LYS 28 13.773 1.010 -0.601 193 H GLU 29 HN GLU 29 8.217 0.310 -6.515 194 HA GLU 29 HA GLU 29 8.883 2.552 -8.039 195 1HB GLU 29 HB2 GLU 29 7.315 1.761 -9.709 196 2HB GLU 29 HB1 GLU 29 8.201 0.360 -9.014 197 1HG GLU 29 HG2 GLU 29 6.193 -0.118 -7.544 198 2HG GLU 29 HG1 GLU 29 5.328 1.256 -8.300 199 H LYS 30 HN LYS 30 6.578 2.328 -5.485 200 HA LYS 30 HA LYS 30 5.063 4.632 -6.537 201 1HB LYS 30 HB2 LYS 30 4.596 2.770 -4.152 202 2HB LYS 30 HB1 LYS 30 3.577 4.200 -4.509 203 1HG LYS 30 HG2 LYS 30 3.926 1.830 -6.466 204 2HG LYS 30 HG1 LYS 30 2.679 1.939 -5.198 205 1HD LYS 30 HD2 LYS 30 1.425 2.704 -6.925 206 2HD LYS 30 HD1 LYS 30 2.019 4.251 -6.259 207 1HE LYS 30 HE2 LYS 30 2.070 4.274 -8.733 208 2HE LYS 30 HE1 LYS 30 3.773 4.317 -8.141 209 1HZ LYS 30 HZ1 LYS 30 3.453 2.785 -9.952 210 2HZ LYS 30 HZ2 LYS 30 2.306 1.902 -9.067 211 3HZ LYS 30 HZ3 LYS 30 3.922 1.962 -8.544 212 H GLY 31 HN GLY 31 7.899 4.045 -4.927 213 1HA GLY 31 HA2 GLY 31 9.217 5.641 -4.167 214 2HA GLY 31 HA1 GLY 31 7.808 6.722 -3.850 215 H GLY 32 HN GLY 32 7.851 3.353 -2.649 216 1HA GLY 32 HA2 GLY 32 7.984 4.401 0.073 217 2HA GLY 32 HA1 GLY 32 7.581 2.734 -0.510 218 H THR 33 HN THR 33 9.773 3.956 1.489 219 HA THR 33 HA THR 33 12.179 3.485 -0.019 220 HB THR 33 HB THR 33 13.280 4.048 2.182 221 HG1 THR 33 HG1 THR 33 11.617 3.284 3.575 222 1HG2 THR 33 HG21 THR 33 12.636 5.814 0.482 223 2HG2 THR 33 HG22 THR 33 12.533 6.428 2.171 224 3HG2 THR 33 HG23 THR 33 11.031 5.996 1.277 225 H SER 34 HN SER 34 10.010 1.740 2.147 226 HA SER 34 HA SER 34 11.597 -0.596 2.193 227 1HB SER 34 HB2 SER 34 11.341 -0.298 4.950 228 2HB SER 34 HB1 SER 34 12.851 0.100 4.054 229 HG SER 34 HG SER 34 12.226 1.768 5.425 230 H GLY 35 HN GLY 35 9.951 -2.307 3.306 231 1HA GLY 35 HA2 GLY 35 7.450 -1.552 3.964 232 2HA GLY 35 HA1 GLY 35 7.560 -1.830 2.152 233 H HIS 36 HN HIS 36 6.186 -3.960 3.123 234 HA HIS 36 HA HIS 36 7.823 -6.070 2.732 235 1HB HIS 36 HB2 HIS 36 7.740 -7.305 4.875 236 2HB HIS 36 HB1 HIS 36 8.706 -5.817 5.101 237 HD1 HIS 36 HD1 HIS 36 7.080 -3.730 6.135 238 HD2 HIS 36 HD2 HIS 36 5.906 -7.691 6.854 239 HE1 HIS 36 HE1 HIS 36 5.486 -3.696 8.105 240 HE2 HIS 36 HE2 HIS 36 4.800 -6.110 8.501 241 H CYS 37 HN CYS 37 6.030 -8.026 3.784 242 HA CYS 37 HA CYS 37 3.664 -7.220 2.300 243 1HB CYS 37 HB2 CYS 37 5.042 -9.435 1.999 244 2HB CYS 37 HB1 CYS 37 4.328 -9.954 3.553 245 H GLY 38 HN GLY 38 1.402 -7.917 3.389 246 1HA GLY 38 HA2 GLY 38 1.454 -8.724 6.002 247 2HA GLY 38 HA1 GLY 38 1.093 -6.936 5.887 248 H PHE 39 HN PHE 39 -1.275 -8.025 6.495 249 HA PHE 39 HA PHE 39 -2.584 -8.495 3.948 250 1HB PHE 39 HB2 PHE 39 -2.221 -10.719 5.413 251 2HB PHE 39 HB1 PHE 39 -3.381 -9.975 6.558 252 HD1 PHE 39 HD1 PHE 39 -2.932 -11.743 3.385 253 HD2 PHE 39 HD2 PHE 39 -5.733 -9.489 5.724 254 HE1 PHE 39 HE1 PHE 39 -4.786 -12.671 2.052 255 HE2 PHE 39 HE2 PHE 39 -7.594 -10.421 4.405 256 HZ PHE 39 HZ PHE 39 -7.133 -12.054 2.588 257 H LYS 40 HN LYS 40 -4.717 -7.402 4.112 258 HA LYS 40 HA LYS 40 -4.908 -5.639 6.456 259 1HB LYS 40 HB2 LYS 40 -4.366 -4.340 4.403 260 2HB LYS 40 HB1 LYS 40 -5.685 -5.168 3.513 261 1HG LYS 40 HG2 LYS 40 -6.159 -2.786 4.272 262 2HG LYS 40 HG1 LYS 40 -7.397 -3.998 4.752 263 1HD LYS 40 HD2 LYS 40 -6.627 -4.030 7.056 264 2HD LYS 40 HD1 LYS 40 -5.166 -3.053 6.648 265 1HE LYS 40 HE2 LYS 40 -6.580 -1.104 6.093 266 2HE LYS 40 HE1 LYS 40 -8.091 -2.057 6.393 267 1HZ LYS 40 HZ1 LYS 40 -7.358 -2.331 8.688 268 2HZ LYS 40 HZ2 LYS 40 -7.546 -0.701 8.259 269 3HZ LYS 40 HZ3 LYS 40 -5.991 -1.369 8.385 270 H VAL 41 HN VAL 41 -6.213 -6.990 7.645 271 HA VAL 41 HA VAL 41 -7.941 -8.803 6.410 272 HB VAL 41 HB VAL 41 -8.104 -8.058 9.360 273 1HG1 VAL 41 HG11 VAL 41 -9.742 -9.726 8.420 274 2HG1 VAL 41 HG12 VAL 41 -8.577 -10.521 9.534 275 3HG1 VAL 41 HG13 VAL 41 -8.379 -10.706 7.756 276 1HG2 VAL 41 HG21 VAL 41 -5.882 -9.694 7.955 277 2HG2 VAL 41 HG22 VAL 41 -6.219 -9.716 9.720 278 3HG2 VAL 41 HG23 VAL 41 -5.674 -8.199 8.951 279 H GLY 42 HN GLY 42 -9.990 -8.452 5.693 280 1HA GLY 42 HA2 GLY 42 -12.148 -7.521 6.192 281 2HA GLY 42 HA1 GLY 42 -11.308 -5.952 6.539 282 H HIS 43 HN HIS 43 -9.224 -6.771 4.376 283 HA HIS 43 HA HIS 43 -10.946 -6.198 2.033 284 1HB HIS 43 HB2 HIS 43 -8.206 -5.087 2.835 285 2HB HIS 43 HB1 HIS 43 -8.788 -5.087 1.135 286 HD1 HIS 43 HD1 HIS 43 -10.762 -3.563 0.513 287 HD2 HIS 43 HD2 HIS 43 -9.203 -2.916 4.358 288 HE1 HIS 43 HE1 HIS 43 -11.437 -1.223 1.214 289 HE2 HIS 43 HE2 HIS 43 -10.503 -0.886 3.547 290 H GLY 44 HN GLY 44 -7.444 -7.226 2.743 291 1HA GLY 44 HA2 GLY 44 -7.619 -9.685 1.646 292 2HA GLY 44 HA1 GLY 44 -7.491 -8.519 0.252 293 H LEU 45 HN LEU 45 -5.339 -9.428 -0.143 294 HA LEU 45 HA LEU 45 -3.276 -9.082 1.835 295 1HB LEU 45 HB2 LEU 45 -3.664 -10.415 -0.760 296 2HB LEU 45 HB1 LEU 45 -2.178 -9.378 -0.880 297 HG LEU 45 HG LEU 45 -2.852 -11.701 1.014 298 1HD1 LEU 45 HD11 LEU 45 -0.740 -11.480 -1.223 299 2HD1 LEU 45 HD12 LEU 45 -2.308 -12.367 -1.308 300 3HD1 LEU 45 HD13 LEU 45 -1.031 -12.907 -0.158 301 1HD2 LEU 45 HD21 LEU 45 -1.471 -10.210 2.373 302 2HD2 LEU 45 HD22 LEU 45 -0.282 -9.998 1.058 303 3HD2 LEU 45 HD23 LEU 45 -0.467 -11.598 1.840 304 H ALA 46 HN ALA 46 -1.426 -7.311 1.432 305 HA ALA 46 HA ALA 46 -2.076 -5.319 -0.434 306 1HB ALA 46 HB1 ALA 46 -3.783 -4.720 1.397 307 2HB ALA 46 HB2 ALA 46 -2.450 -3.509 1.327 308 3HB ALA 46 HB3 ALA 46 -2.467 -4.788 2.610 309 H CYS 47 HN CYS 47 -0.138 -3.494 0.479 310 HA CYS 47 HA CYS 47 1.970 -5.354 1.505 311 1HB CYS 47 HB2 CYS 47 2.265 -3.361 -0.779 312 2HB CYS 47 HB1 CYS 47 3.638 -3.705 0.327 313 H TRP 48 HN TRP 48 3.635 -3.976 2.710 314 HA TRP 48 HA TRP 48 2.251 -1.697 3.985 315 1HB TRP 48 HB2 TRP 48 2.762 -3.517 5.622 316 2HB TRP 48 HB1 TRP 48 4.441 -3.614 4.993 317 HD1 TRP 48 HD1 TRP 48 6.145 -1.611 5.756 318 HE1 TRP 48 HE1 TRP 48 6.023 0.274 7.432 319 HE3 TRP 48 HE3 TRP 48 1.242 -2.142 7.021 320 HZ2 TRP 48 HZ2 TRP 48 4.066 1.259 9.353 321 HZ3 TRP 48 HZ3 TRP 48 0.285 -0.704 8.792 322 HH2 TRP 48 HH2 TRP 48 1.679 0.979 9.941 323 H CYS 49 HN CYS 49 3.610 0.298 4.003 324 HA CYS 49 HA CYS 49 6.188 0.025 2.712 325 1HB CYS 49 HB2 CYS 49 3.972 1.881 1.678 326 2HB CYS 49 HB1 CYS 49 5.716 2.211 1.424 327 H ASN 50 HN ASN 50 7.561 1.649 3.465 328 HA ASN 50 HA ASN 50 6.464 3.439 5.526 329 1HB ASN 50 HB2 ASN 50 9.178 2.021 5.200 330 2HB ASN 50 HB1 ASN 50 9.158 3.669 5.898 331 1HD2 ASN 50 HD21 ASN 50 9.300 3.616 8.079 332 2HD2 ASN 50 HD22 ASN 50 8.525 2.469 9.119 333 H ALA 51 HN ALA 51 6.761 5.576 5.061 334 HA ALA 51 HA ALA 51 7.237 7.397 4.107 335 1HB ALA 51 HB1 ALA 51 9.546 7.902 3.363 336 2HB ALA 51 HB2 ALA 51 9.914 6.138 3.369 337 3HB ALA 51 HB3 ALA 51 9.532 6.978 4.914 338 H LEU 52 HN LEU 52 5.455 6.851 2.589 339 HA LEU 52 HA LEU 52 6.424 6.833 -0.183 340 1HB LEU 52 HB2 LEU 52 3.563 6.676 0.926 341 2HB LEU 52 HB1 LEU 52 3.960 6.840 -0.797 342 HG LEU 52 HG LEU 52 5.106 4.464 0.715 343 1HD1 LEU 52 HD11 LEU 52 2.175 4.688 -0.235 344 2HD1 LEU 52 HD12 LEU 52 2.755 4.403 1.454 345 3HD1 LEU 52 HD13 LEU 52 3.002 3.147 0.186 346 1HD2 LEU 52 HD21 LEU 52 4.911 3.373 -1.472 347 2HD2 LEU 52 HD22 LEU 52 5.650 4.995 -1.717 348 3HD2 LEU 52 HD23 LEU 52 3.928 4.733 -2.131 349 HA PRO 53 HA PRO 53 5.684 11.209 0.493 350 1HB PRO 53 HB2 PRO 53 4.808 11.110 -2.445 351 2HB PRO 53 HB1 PRO 53 5.869 12.351 -1.658 352 1HG PRO 53 HG1 PRO 53 6.966 10.369 -3.172 353 2HG PRO 53 HG2 PRO 53 7.704 10.717 -1.551 354 1HD PRO 53 HD1 PRO 53 5.734 8.459 -2.270 355 2HD PRO 53 HD2 PRO 53 7.232 8.414 -1.262 356 H ASP 54 HN ASP 54 3.924 12.922 0.343 357 HA ASP 54 HA ASP 54 1.468 11.684 1.024 358 1HB ASP 54 HB2 ASP 54 2.280 14.619 0.669 359 2HB ASP 54 HB1 ASP 54 0.717 14.072 1.406 360 H ASN 55 HN ASN 55 2.584 12.233 -2.106 361 HA ASN 55 HA ASN 55 -0.126 12.892 -3.037 362 1HB ASN 55 HB2 ASN 55 0.755 13.311 -5.247 363 2HB ASN 55 HB1 ASN 55 1.580 14.370 -4.051 364 1HD2 ASN 55 HD22 ASN 55 2.452 13.354 -6.818 365 2HD2 ASN 55 HD21 ASN 55 3.986 12.586 -6.544 366 H VAL 56 HN VAL 56 1.217 10.328 -1.829 367 HA VAL 56 HA VAL 56 0.096 8.560 -3.861 368 HB VAL 56 HB VAL 56 1.845 7.524 -1.560 369 1HG1 VAL 56 HG11 VAL 56 1.212 6.535 -4.421 370 2HG1 VAL 56 HG12 VAL 56 0.477 5.926 -2.887 371 3HG1 VAL 56 HG13 VAL 56 2.232 5.690 -3.199 372 1HG2 VAL 56 HG21 VAL 56 3.845 7.646 -3.110 373 2HG2 VAL 56 HG22 VAL 56 3.307 9.238 -2.521 374 3HG2 VAL 56 HG23 VAL 56 2.905 8.746 -4.196 375 H GLY 57 HN GLY 57 -1.512 7.004 -2.562 376 1HA GLY 57 HA2 GLY 57 -2.157 7.973 0.029 377 2HA GLY 57 HA1 GLY 57 -3.368 8.263 -1.334 378 H ILE 58 HN ILE 58 -3.901 6.250 0.700 379 HA ILE 58 HA ILE 58 -3.085 3.650 -0.375 380 HB ILE 58 HB ILE 58 -2.059 3.231 1.881 381 1HG1 ILE 58 HG12 ILE 58 -1.768 6.300 2.041 382 2HG1 ILE 58 HG11 ILE 58 -3.021 5.411 2.961 383 1HG2 ILE 58 HG21 ILE 58 -0.557 5.214 0.117 384 2HG2 ILE 58 HG22 ILE 58 -0.873 3.501 -0.286 385 3HG2 ILE 58 HG23 ILE 58 0.111 3.905 1.174 386 1HD1 ILE 58 HD11 ILE 58 -1.047 5.797 4.384 387 2HD1 ILE 58 HD12 ILE 58 0.021 4.950 3.205 388 3HD1 ILE 58 HD13 ILE 58 -1.267 4.032 4.073 389 H ILE 59 HN ILE 59 -3.637 2.920 2.582 390 HA ILE 59 HA ILE 59 -6.435 2.693 2.339 391 HB ILE 59 HB ILE 59 -4.961 2.308 4.963 392 1HG1 ILE 59 HG12 ILE 59 -3.749 0.990 3.280 393 2HG1 ILE 59 HG11 ILE 59 -4.619 0.002 4.486 394 1HG2 ILE 59 HG21 ILE 59 -7.476 2.388 5.060 395 2HG2 ILE 59 HG22 ILE 59 -6.901 0.723 5.336 396 3HG2 ILE 59 HG23 ILE 59 -7.587 1.164 3.735 397 1HD1 ILE 59 HD11 ILE 59 -5.772 0.521 1.676 398 2HD1 ILE 59 HD12 ILE 59 -6.276 -0.719 2.877 399 3HD1 ILE 59 HD13 ILE 59 -4.666 -0.840 2.077 400 H VAL 60 HN VAL 60 -8.020 3.941 3.232 401 HA VAL 60 HA VAL 60 -7.559 6.266 4.789 402 HB VAL 60 HB VAL 60 -8.466 5.943 1.833 403 1HG1 VAL 60 HG11 VAL 60 -9.355 8.214 3.708 404 2HG1 VAL 60 HG12 VAL 60 -10.401 6.959 2.922 405 3HG1 VAL 60 HG13 VAL 60 -9.551 8.177 1.912 406 1HG2 VAL 60 HG21 VAL 60 -6.103 6.682 2.227 407 2HG2 VAL 60 HG22 VAL 60 -6.696 8.082 3.194 408 3HG2 VAL 60 HG23 VAL 60 -7.073 7.974 1.437 409 H GLU 61 HN GLU 61 -9.808 5.992 6.081 410 HA GLU 61 HA GLU 61 -11.630 4.225 5.009 411 1HB GLU 61 HB2 GLU 61 -9.885 2.516 5.550 412 2HB GLU 61 HB1 GLU 61 -9.861 3.062 7.272 413 1HG GLU 61 HG2 GLU 61 -12.190 2.220 7.558 414 2HG GLU 61 HG1 GLU 61 -12.333 1.905 5.787 415 H GLY 62 HN GLY 62 -13.160 3.913 7.109 416 1HA GLY 62 HA2 GLY 62 -14.600 5.301 8.192 417 2HA GLY 62 HA1 GLY 62 -13.399 6.663 8.076 418 H GLU 63 HN GLU 63 -14.155 4.333 5.392 419 HA GLU 63 HA GLU 63 -15.721 5.851 3.805 420 1HB GLU 63 HB2 GLU 63 -12.878 6.738 3.919 421 2HB GLU 63 HB1 GLU 63 -13.178 5.976 2.322 422 1HG GLU 63 HG2 GLU 63 -15.193 7.509 2.027 423 2HG GLU 63 HG1 GLU 63 -14.782 8.290 3.597 424 H LYS 64 HN LYS 64 -14.364 4.590 1.466 425 HA LYS 64 HA LYS 64 -13.673 2.010 2.074 426 1HB LYS 64 HB2 LYS 64 -16.279 1.944 2.375 427 2HB LYS 64 HB1 LYS 64 -16.398 2.394 0.650 428 1HG LYS 64 HG2 LYS 64 -16.753 -0.032 1.070 429 2HG LYS 64 HG1 LYS 64 -15.364 0.244 -0.017 430 1HD LYS 64 HD2 LYS 64 -14.937 -1.587 1.608 431 2HD LYS 64 HD1 LYS 64 -13.755 -0.255 1.783 432 1HE LYS 64 HE2 LYS 64 -14.455 -1.144 4.000 433 2HE LYS 64 HE1 LYS 64 -14.960 0.580 3.824 434 1HZ LYS 64 HZ1 LYS 64 -16.679 -0.770 4.777 435 2HZ LYS 64 HZ2 LYS 64 -16.697 -1.803 3.431 436 3HZ LYS 64 HZ3 LYS 64 -17.166 -0.179 3.261 437 H CYS 65 HN CYS 65 -13.791 1.216 -0.552 438 HA CYS 65 HA CYS 65 -11.853 2.696 -1.722 439 1HB CYS 65 HB2 CYS 65 -12.155 0.337 -2.108 440 2HB CYS 65 HB1 CYS 65 -13.713 0.616 -2.920 441 H HIS 66 HN HIS 66 -11.605 4.419 -3.115 442 HA HIS 66 HA HIS 66 -13.802 5.349 -4.637 443 1HB HIS 66 HB2 HIS 66 -13.631 7.699 -3.703 444 2HB HIS 66 HB1 HIS 66 -14.353 6.565 -2.511 445 HD1 HIS 66 HD1 HIS 66 -12.435 5.610 -0.709 446 HD2 HIS 66 HD2 HIS 66 -11.805 9.336 -2.534 447 HE1 HIS 66 HE1 HIS 66 -10.832 6.907 0.761 448 HE2 HIS 66 HE2 HIS 66 -10.500 9.157 -0.361 449 H SER 67 HN SER 67 -12.741 7.053 -6.137 450 HA SER 67 HA SER 67 -10.251 6.096 -6.890 451 1HB SER 67 HB2 SER 67 -11.671 8.636 -7.894 452 2HB SER 67 HB1 SER 67 -10.595 7.521 -8.822 453 HG SER 67 HG SER 67 -12.806 7.184 -9.247 454 1HN NH2 68 H1 NH2 68 -9.440 6.920 -4.516 455 2HN NH2 68 H2 NH2 68 -8.559 8.442 -4.555 Start of MODEL 19 1 1H VAL 1 HT1 VAL 1 6.680 12.670 6.013 2 2H VAL 1 HT2 VAL 1 8.109 12.497 5.106 3 3H VAL 1 HT3 VAL 1 8.009 11.852 6.678 4 HA VAL 1 HA VAL 1 6.399 11.026 4.374 5 HB VAL 1 HB VAL 1 7.700 8.859 4.517 6 1HG1 VAL 1 HG11 VAL 1 9.763 9.684 3.437 7 2HG1 VAL 1 HG12 VAL 1 9.455 11.354 4.039 8 3HG1 VAL 1 HG13 VAL 1 8.332 10.595 2.849 9 1HG2 VAL 1 HG21 VAL 1 8.417 9.054 6.947 10 2HG2 VAL 1 HG22 VAL 1 9.533 10.393 6.490 11 3HG2 VAL 1 HG23 VAL 1 9.790 8.740 5.834 12 H ARG 2 HN ARG 2 5.612 8.536 4.977 13 HA ARG 2 HA ARG 2 5.137 8.256 7.794 14 1HB ARG 2 HB2 ARG 2 2.794 7.707 7.677 15 2HB ARG 2 HB1 ARG 2 3.017 9.375 7.085 16 1HG ARG 2 HG2 ARG 2 2.488 6.888 5.315 17 2HG ARG 2 HG1 ARG 2 1.298 8.088 5.899 18 1HD ARG 2 HD2 ARG 2 3.058 9.806 4.608 19 2HD ARG 2 HD1 ARG 2 3.321 8.305 3.653 20 HE ARG 2 HE ARG 2 1.069 8.414 2.848 21 1HH1 ARG 2 HH21 ARG 2 1.651 10.898 5.355 22 2HH1 ARG 2 HH22 ARG 2 0.247 11.825 4.953 23 1HH2 ARG 2 HH11 ARG 2 -0.791 9.739 2.281 24 2HH2 ARG 2 HH12 ARG 2 -1.166 11.134 3.229 25 H ASP 3 HN ASP 3 3.873 5.804 7.816 26 HA ASP 3 HA ASP 3 5.157 4.167 5.810 27 1HB ASP 3 HB2 ASP 3 5.025 3.457 8.837 28 2HB ASP 3 HB1 ASP 3 5.785 2.494 7.520 29 H GLY 4 HN GLY 4 3.481 2.425 5.365 30 1HA GLY 4 HA2 GLY 4 1.371 2.190 7.191 31 2HA GLY 4 HA1 GLY 4 0.911 3.149 5.713 32 H TYR 5 HN TYR 5 -0.479 0.909 5.808 33 HA TYR 5 HA TYR 5 0.772 -1.099 4.158 34 1HB TYR 5 HB2 TYR 5 -2.135 -0.355 4.852 35 2HB TYR 5 HB1 TYR 5 -1.726 -1.679 3.694 36 HD1 TYR 5 HD1 TYR 5 -2.023 -0.654 7.191 37 HD2 TYR 5 HD2 TYR 5 -0.446 -3.626 4.511 38 HE1 TYR 5 HE1 TYR 5 -1.978 -2.288 9.038 39 HE2 TYR 5 HE2 TYR 5 -0.394 -5.245 6.352 40 HH TYR 5 HH TYR 5 -1.890 -5.599 8.365 41 H ILE 6 HN ILE 6 0.734 -0.870 1.808 42 HA ILE 6 HA ILE 6 -0.115 1.834 1.046 43 HB ILE 6 HB ILE 6 2.194 1.386 0.566 44 1HG1 ILE 6 HG12 ILE 6 0.397 1.911 -1.878 45 2HG1 ILE 6 HG11 ILE 6 0.846 3.097 -0.608 46 1HG2 ILE 6 HG21 ILE 6 2.786 -0.119 -1.345 47 2HG2 ILE 6 HG22 ILE 6 1.083 -0.694 -1.417 48 3HG2 ILE 6 HG23 ILE 6 2.097 -1.000 0.056 49 1HD1 ILE 6 HD11 ILE 6 2.693 1.756 -2.672 50 2HD1 ILE 6 HD12 ILE 6 3.313 2.715 -1.278 51 3HD1 ILE 6 HD13 ILE 6 2.262 3.498 -2.516 52 H ALA 7 HN ALA 7 -1.592 2.230 -0.216 53 HA ALA 7 HA ALA 7 -3.526 0.281 -1.055 54 1HB ALA 7 HB1 ALA 7 -4.300 2.412 0.108 55 2HB ALA 7 HB2 ALA 7 -5.021 2.201 -1.505 56 3HB ALA 7 HB3 ALA 7 -3.647 3.351 -1.286 57 H GLN 8 HN GLN 8 -4.640 1.756 -3.240 58 HA GLN 8 HA GLN 8 -2.704 2.014 -5.263 59 1HB GLN 8 HB2 GLN 8 -3.191 -0.463 -5.311 60 2HB GLN 8 HB1 GLN 8 -4.948 -0.137 -5.149 61 1HG GLN 8 HG2 GLN 8 -5.043 0.765 -7.459 62 2HG GLN 8 HG1 GLN 8 -3.244 0.704 -7.590 63 1HE2 GLN 8 HE21 GLN 8 -5.472 -1.801 -6.142 64 2HE2 GLN 8 HE22 GLN 8 -5.093 -3.033 -7.319 65 HA PRO 9 HA PRO 9 -5.948 5.007 -5.374 66 1HB PRO 9 HB2 PRO 9 -6.132 4.453 -8.415 67 2HB PRO 9 HB1 PRO 9 -6.221 6.072 -7.603 68 1HG PRO 9 HG1 PRO 9 -3.846 5.252 -8.651 69 2HG PRO 9 HG2 PRO 9 -3.863 5.942 -6.976 70 1HD PRO 9 HD1 PRO 9 -3.712 2.999 -7.805 71 2HD PRO 9 HD2 PRO 9 -2.878 3.876 -6.441 72 H GLU 10 HN GLU 10 -9.338 3.778 -5.604 73 HA GLU 10 HA GLU 10 -7.856 6.271 -5.683 74 1HB GLU 10 HB2 GLU 10 -10.658 5.529 -4.718 75 2HB GLU 10 HB1 GLU 10 -9.974 7.188 -4.673 76 1HG GLU 10 HG2 GLU 10 -9.770 7.232 -7.144 77 2HG GLU 10 HG1 GLU 10 -10.287 5.514 -7.251 78 H ASN 11 HN ASN 11 -9.415 3.996 -3.291 79 HA ASN 11 HA ASN 11 -7.285 4.329 -1.512 80 1HB ASN 11 HB2 ASN 11 -8.924 5.889 -0.320 81 2HB ASN 11 HB1 ASN 11 -10.279 4.770 -0.735 82 1HD2 ASN 11 HD22 ASN 11 -10.788 3.135 0.826 83 2HD2 ASN 11 HD21 ASN 11 -9.813 2.941 2.268 84 H CYS 12 HN CYS 12 -7.242 2.108 -0.821 85 HA CYS 12 HA CYS 12 -9.005 0.116 -1.389 86 1HB CYS 12 HB2 CYS 12 -7.073 0.758 -3.722 87 2HB CYS 12 HB1 CYS 12 -7.594 -0.922 -3.437 88 H VAL 13 HN VAL 13 -6.808 -1.746 -2.063 89 HA VAL 13 HA VAL 13 -4.766 -1.067 -0.178 90 HB VAL 13 HB VAL 13 -4.501 -3.646 -0.016 91 1HG1 VAL 13 HG11 VAL 13 -6.751 -2.154 1.478 92 2HG1 VAL 13 HG12 VAL 13 -5.017 -2.285 1.953 93 3HG1 VAL 13 HG13 VAL 13 -6.052 -3.751 1.966 94 1HG2 VAL 13 HG21 VAL 13 -6.545 -4.999 -0.175 95 2HG2 VAL 13 HG22 VAL 13 -6.246 -4.216 -1.759 96 3HG2 VAL 13 HG23 VAL 13 -7.533 -3.579 -0.663 97 H TYR 14 HN TYR 14 -2.746 -2.070 -1.208 98 HA TYR 14 HA TYR 14 -3.081 -2.441 -4.050 99 1HB TYR 14 HB2 TYR 14 -0.780 -1.760 -2.410 100 2HB TYR 14 HB1 TYR 14 -0.418 -3.343 -3.108 101 HD1 TYR 14 HD1 TYR 14 -1.687 -3.326 -5.787 102 HD2 TYR 14 HD2 TYR 14 0.453 -0.199 -3.721 103 HE1 TYR 14 HE1 TYR 14 -1.151 -2.294 -7.918 104 HE2 TYR 14 HE2 TYR 14 1.010 0.825 -5.878 105 HH TYR 14 HH TYR 14 -0.213 -0.515 -8.976 106 H HIS 15 HN HIS 15 -1.299 -4.909 -4.272 107 HA HIS 15 HA HIS 15 -2.565 -6.738 -2.490 108 1HB HIS 15 HB2 HIS 15 -2.801 -6.942 -5.563 109 2HB HIS 15 HB1 HIS 15 -2.850 -8.384 -4.479 110 HD1 HIS 15 HD1 HIS 15 -5.337 -7.585 -6.207 111 HD2 HIS 15 HD2 HIS 15 -4.805 -6.596 -2.167 112 HE1 HIS 15 HE1 HIS 15 -7.644 -7.236 -5.180 113 HE2 HIS 15 HE2 HIS 15 -7.266 -6.629 -2.768 114 H CYS 16 HN CYS 16 -1.034 -8.839 -3.123 115 HA CYS 16 HA CYS 16 1.636 -7.797 -3.301 116 1HB CYS 16 HB2 CYS 16 1.095 -7.587 -0.834 117 2HB CYS 16 HB1 CYS 16 0.212 -9.127 -0.880 118 H PHE 17 HN PHE 17 2.906 -9.988 -3.550 119 HA PHE 17 HA PHE 17 1.142 -12.144 -4.397 120 1HB PHE 17 HB2 PHE 17 4.111 -11.725 -5.182 121 2HB PHE 17 HB1 PHE 17 2.908 -12.840 -5.912 122 HD1 PHE 17 HD1 PHE 17 0.598 -10.993 -6.516 123 HD2 PHE 17 HD2 PHE 17 4.837 -10.284 -6.792 124 HE1 PHE 17 HE1 PHE 17 0.206 -9.301 -8.255 125 HE2 PHE 17 HE2 PHE 17 4.430 -8.572 -8.527 126 HZ PHE 17 HZ PHE 17 2.118 -8.073 -9.257 127 HA PRO 18 HA PRO 18 2.726 -12.305 -0.296 128 1HB PRO 18 HB2 PRO 18 2.300 -15.331 -0.578 129 2HB PRO 18 HB1 PRO 18 2.022 -14.324 0.903 130 1HG PRO 18 HG1 PRO 18 -0.086 -14.851 -0.759 131 2HG PRO 18 HG2 PRO 18 0.161 -13.152 -0.173 132 1HD PRO 18 HD1 PRO 18 0.771 -14.294 -2.917 133 2HD PRO 18 HD2 PRO 18 0.261 -12.623 -2.422 134 H GLY 19 HN GLY 19 4.922 -11.605 -0.341 135 1HA GLY 19 HA2 GLY 19 6.933 -13.132 0.454 136 2HA GLY 19 HA1 GLY 19 6.893 -13.206 -1.386 137 H SER 20 HN SER 20 8.943 -11.626 -0.843 138 HA SER 20 HA SER 20 8.122 -9.040 0.009 139 1HB SER 20 HB2 SER 20 10.861 -9.890 -1.115 140 2HB SER 20 HB1 SER 20 10.497 -8.588 0.087 141 HG SER 20 HG SER 20 11.302 -10.436 1.118 142 H SER 21 HN SER 21 8.966 -10.703 -3.080 143 HA SER 21 HA SER 21 10.236 -8.901 -4.368 144 1HB SER 21 HB2 SER 21 8.279 -10.719 -5.842 145 2HB SER 21 HB1 SER 21 10.028 -10.404 -6.166 146 HG SER 21 HG SER 21 9.747 -12.422 -5.190 147 H GLY 22 HN GLY 22 6.663 -9.256 -4.696 148 1HA GLY 22 HA2 GLY 22 6.597 -7.363 -6.821 149 2HA GLY 22 HA1 GLY 22 5.205 -8.077 -5.915 150 H CYS 23 HN CYS 23 5.844 -7.262 -3.308 151 HA CYS 23 HA CYS 23 4.637 -4.729 -3.417 152 1HB CYS 23 HB2 CYS 23 6.008 -6.194 -1.069 153 2HB CYS 23 HB1 CYS 23 5.193 -4.607 -0.895 154 H ASP 24 HN ASP 24 8.021 -5.774 -2.720 155 HA ASP 24 HA ASP 24 8.815 -3.197 -1.956 156 1HB ASP 24 HB2 ASP 24 10.121 -5.347 -1.518 157 2HB ASP 24 HB1 ASP 24 10.612 -5.339 -3.248 158 H THR 25 HN THR 25 8.658 -4.823 -5.134 159 HA THR 25 HA THR 25 9.906 -2.812 -6.628 160 HB THR 25 HB THR 25 7.666 -4.700 -7.464 161 HG1 THR 25 HG1 THR 25 9.248 -6.033 -6.689 162 1HG2 THR 25 HG21 THR 25 9.971 -3.371 -9.068 163 2HG2 THR 25 HG22 THR 25 8.228 -2.926 -9.177 164 3HG2 THR 25 HG23 THR 25 8.775 -4.544 -9.735 165 H LEU 26 HN LEU 26 6.385 -3.404 -5.841 166 HA LEU 26 HA LEU 26 5.414 -1.194 -7.258 167 1HB LEU 26 HB2 LEU 26 4.354 -2.550 -4.702 168 2HB LEU 26 HB1 LEU 26 3.452 -1.286 -5.595 169 HG LEU 26 HG LEU 26 4.299 -3.957 -6.853 170 1HD1 LEU 26 HD11 LEU 26 1.924 -4.657 -6.508 171 2HD1 LEU 26 HD12 LEU 26 1.613 -3.148 -5.575 172 3HD1 LEU 26 HD13 LEU 26 2.773 -4.376 -4.951 173 1HD2 LEU 26 HD21 LEU 26 2.515 -3.348 -8.543 174 2HD2 LEU 26 HD22 LEU 26 3.938 -2.245 -8.564 175 3HD2 LEU 26 HD23 LEU 26 2.404 -1.711 -7.789 176 H CYS 27 HN CYS 27 6.557 -1.572 -3.918 177 HA CYS 27 HA CYS 27 5.896 0.898 -2.974 178 1HB CYS 27 HB2 CYS 27 6.938 -1.161 -1.729 179 2HB CYS 27 HB1 CYS 27 8.532 -0.480 -2.181 180 H LYS 28 HN LYS 28 8.809 -0.070 -4.841 181 HA LYS 28 HA LYS 28 10.175 2.368 -4.571 182 1HB LYS 28 HB2 LYS 28 10.204 0.372 -6.920 183 2HB LYS 28 HB1 LYS 28 11.356 1.738 -6.751 184 1HG LYS 28 HG2 LYS 28 11.089 -0.518 -4.679 185 2HG LYS 28 HG1 LYS 28 12.220 -0.559 -6.066 186 1HD LYS 28 HD2 LYS 28 13.361 1.482 -5.207 187 2HD LYS 28 HD1 LYS 28 12.208 1.551 -3.819 188 1HE LYS 28 HE2 LYS 28 12.995 -0.694 -3.023 189 2HE LYS 28 HE1 LYS 28 14.164 -0.782 -4.403 190 1HZ LYS 28 HZ1 LYS 28 14.110 1.243 -2.234 191 2HZ LYS 28 HZ2 LYS 28 15.199 1.234 -3.543 192 3HZ LYS 28 HZ3 LYS 28 15.213 -0.033 -2.408 193 H GLU 29 HN GLU 29 7.827 1.248 -7.102 194 HA GLU 29 HA GLU 29 8.205 3.675 -8.554 195 1HB GLU 29 HB2 GLU 29 6.310 2.927 -10.001 196 2HB GLU 29 HB1 GLU 29 7.685 1.785 -9.876 197 1HG GLU 29 HG2 GLU 29 6.420 0.388 -8.261 198 2HG GLU 29 HG1 GLU 29 5.024 1.529 -8.322 199 H LYS 30 HN LYS 30 6.222 2.922 -5.811 200 HA LYS 30 HA LYS 30 4.519 5.258 -6.366 201 1HB LYS 30 HB2 LYS 30 4.490 3.315 -4.002 202 2HB LYS 30 HB1 LYS 30 3.345 4.673 -4.248 203 1HG LYS 30 HG2 LYS 30 3.661 2.183 -6.028 204 2HG LYS 30 HG1 LYS 30 2.334 2.489 -4.869 205 1HD LYS 30 HD2 LYS 30 2.860 4.182 -7.413 206 2HD LYS 30 HD1 LYS 30 1.802 2.751 -7.310 207 1HE LYS 30 HE2 LYS 30 0.338 4.639 -7.163 208 2HE LYS 30 HE1 LYS 30 0.406 3.911 -5.512 209 1HZ LYS 30 HZ1 LYS 30 0.523 6.282 -5.444 210 2HZ LYS 30 HZ2 LYS 30 1.881 6.313 -6.465 211 3HZ LYS 30 HZ3 LYS 30 2.000 5.630 -4.914 212 H GLY 31 HN GLY 31 7.570 4.617 -4.994 213 1HA GLY 31 HA2 GLY 31 8.927 6.288 -4.402 214 2HA GLY 31 HA1 GLY 31 7.526 7.352 -4.028 215 H GLY 32 HN GLY 32 7.743 4.045 -2.700 216 1HA GLY 32 HA2 GLY 32 8.510 5.196 -0.089 217 2HA GLY 32 HA1 GLY 32 7.711 3.609 -0.423 218 H THR 33 HN THR 33 10.376 4.046 0.992 219 HA THR 33 HA THR 33 12.284 3.600 -1.137 220 HB THR 33 HB THR 33 13.972 3.617 0.688 221 HG1 THR 33 HG1 THR 33 12.764 2.772 2.369 222 1HG2 THR 33 HG21 THR 33 11.898 5.936 0.793 223 2HG2 THR 33 HG22 THR 33 13.198 5.740 -0.436 224 3HG2 THR 33 HG23 THR 33 13.625 6.027 1.290 225 H SER 34 HN SER 34 10.433 1.788 1.287 226 HA SER 34 HA SER 34 11.836 -0.656 0.664 227 1HB SER 34 HB2 SER 34 11.499 0.179 3.618 228 2HB SER 34 HB1 SER 34 12.681 -0.978 2.902 229 HG SER 34 HG SER 34 13.709 0.875 3.555 230 H GLY 35 HN GLY 35 10.229 -2.482 1.536 231 1HA GLY 35 HA2 GLY 35 7.915 -1.637 2.783 232 2HA GLY 35 HA1 GLY 35 7.713 -1.818 0.969 233 H HIS 36 HN HIS 36 6.327 -3.770 2.105 234 HA HIS 36 HA HIS 36 7.702 -6.123 1.677 235 1HB HIS 36 HB2 HIS 36 7.479 -7.171 3.976 236 2HB HIS 36 HB1 HIS 36 8.789 -5.973 3.856 237 HD1 HIS 36 HD1 HIS 36 8.489 -3.715 5.125 238 HD2 HIS 36 HD2 HIS 36 5.505 -6.557 5.923 239 HE1 HIS 36 HE1 HIS 36 7.295 -2.987 7.240 240 HE2 HIS 36 HE2 HIS 36 5.524 -4.746 7.696 241 H CYS 37 HN CYS 37 5.569 -7.473 3.564 242 HA CYS 37 HA CYS 37 3.344 -6.783 1.768 243 1HB CYS 37 HB2 CYS 37 4.636 -8.902 1.114 244 2HB CYS 37 HB1 CYS 37 4.290 -9.557 2.736 245 H GLY 38 HN GLY 38 1.162 -7.502 2.950 246 1HA GLY 38 HA2 GLY 38 1.326 -8.096 5.647 247 2HA GLY 38 HA1 GLY 38 1.100 -6.306 5.343 248 H PHE 39 HN PHE 39 -1.212 -7.236 6.376 249 HA PHE 39 HA PHE 39 -2.930 -7.710 4.112 250 1HB PHE 39 HB2 PHE 39 -2.339 -9.962 5.433 251 2HB PHE 39 HB1 PHE 39 -3.221 -9.231 6.812 252 HD1 PHE 39 HD1 PHE 39 -5.698 -8.610 6.422 253 HD2 PHE 39 HD2 PHE 39 -3.461 -11.028 3.675 254 HE1 PHE 39 HE1 PHE 39 -7.809 -9.512 5.500 255 HE2 PHE 39 HE2 PHE 39 -5.563 -11.936 2.755 256 HZ PHE 39 HZ PHE 39 -7.748 -11.193 3.676 257 H LYS 40 HN LYS 40 -4.828 -6.486 4.511 258 HA LYS 40 HA LYS 40 -4.831 -4.831 6.952 259 1HB LYS 40 HB2 LYS 40 -4.381 -3.407 4.953 260 2HB LYS 40 HB1 LYS 40 -5.632 -4.301 4.032 261 1HG LYS 40 HG2 LYS 40 -6.498 -2.151 4.552 262 2HG LYS 40 HG1 LYS 40 -7.431 -3.337 5.494 263 1HD LYS 40 HD2 LYS 40 -6.098 -2.733 7.554 264 2HD LYS 40 HD1 LYS 40 -5.183 -1.528 6.568 265 1HE LYS 40 HE2 LYS 40 -7.413 -0.378 6.034 266 2HE LYS 40 HE1 LYS 40 -8.233 -1.542 7.143 267 1HZ LYS 40 HZ1 LYS 40 -6.065 0.343 7.910 268 2HZ LYS 40 HZ2 LYS 40 -6.926 -0.700 8.944 269 3HZ LYS 40 HZ3 LYS 40 -7.729 0.575 8.165 270 H VAL 41 HN VAL 41 -6.278 -6.150 8.166 271 HA VAL 41 HA VAL 41 -8.244 -7.666 6.815 272 HB VAL 41 HB VAL 41 -8.334 -7.057 9.801 273 1HG1 VAL 41 HG11 VAL 41 -10.265 -8.299 8.765 274 2HG1 VAL 41 HG12 VAL 41 -9.295 -9.392 9.815 275 3HG1 VAL 41 HG13 VAL 41 -9.125 -9.487 8.029 276 1HG2 VAL 41 HG21 VAL 41 -6.838 -9.042 10.123 277 2HG2 VAL 41 HG22 VAL 41 -5.965 -7.691 9.339 278 3HG2 VAL 41 HG23 VAL 41 -6.518 -9.107 8.359 279 H GLY 42 HN GLY 42 -10.194 -6.923 6.078 280 1HA GLY 42 HA2 GLY 42 -12.155 -5.586 6.767 281 2HA GLY 42 HA1 GLY 42 -10.967 -4.225 6.935 282 H HIS 43 HN HIS 43 -9.206 -5.300 4.783 283 HA HIS 43 HA HIS 43 -10.972 -4.787 2.455 284 1HB HIS 43 HB2 HIS 43 -8.028 -4.045 2.919 285 2HB HIS 43 HB1 HIS 43 -8.795 -4.094 1.295 286 HD1 HIS 43 HD1 HIS 43 -9.226 -1.792 0.563 287 HD2 HIS 43 HD2 HIS 43 -9.884 -2.178 4.687 288 HE1 HIS 43 HE1 HIS 43 -9.914 0.479 1.418 289 HE2 HIS 43 HE2 HIS 43 -10.282 0.223 3.913 290 H GLY 44 HN GLY 44 -7.630 -6.209 3.238 291 1HA GLY 44 HA2 GLY 44 -8.113 -8.734 2.575 292 2HA GLY 44 HA1 GLY 44 -7.983 -7.855 0.982 293 H LEU 45 HN LEU 45 -6.009 -9.076 0.696 294 HA LEU 45 HA LEU 45 -3.674 -8.739 2.202 295 1HB LEU 45 HB2 LEU 45 -4.245 -10.579 0.518 296 2HB LEU 45 HB1 LEU 45 -4.239 -9.341 -0.777 297 HG LEU 45 HG LEU 45 -1.797 -8.982 -0.394 298 1HD1 LEU 45 HD11 LEU 45 -1.984 -11.437 1.482 299 2HD1 LEU 45 HD12 LEU 45 -1.539 -9.758 1.978 300 3HD1 LEU 45 HD13 LEU 45 -0.467 -10.689 0.874 301 1HD2 LEU 45 HD21 LEU 45 -2.644 -10.530 -2.173 302 2HD2 LEU 45 HD22 LEU 45 -2.633 -11.898 -1.002 303 3HD2 LEU 45 HD23 LEU 45 -1.086 -11.119 -1.487 304 H ALA 46 HN ALA 46 -1.846 -7.082 1.749 305 HA ALA 46 HA ALA 46 -2.681 -4.905 0.023 306 1HB ALA 46 HB1 ALA 46 -1.961 -4.611 3.025 307 2HB ALA 46 HB2 ALA 46 -3.587 -4.282 2.331 308 3HB ALA 46 HB3 ALA 46 -2.197 -3.234 1.870 309 H CYS 47 HN CYS 47 -0.461 -3.240 0.421 310 HA CYS 47 HA CYS 47 1.764 -5.194 0.763 311 1HB CYS 47 HB2 CYS 47 1.561 -2.869 -1.203 312 2HB CYS 47 HB1 CYS 47 3.145 -3.369 -0.519 313 H TRP 48 HN TRP 48 3.673 -3.848 1.799 314 HA TRP 48 HA TRP 48 2.495 -1.639 3.354 315 1HB TRP 48 HB2 TRP 48 2.750 -3.577 4.907 316 2HB TRP 48 HB1 TRP 48 4.440 -3.796 4.344 317 HD1 TRP 48 HD1 TRP 48 6.169 -1.706 4.994 318 HE1 TRP 48 HE1 TRP 48 6.226 -0.068 6.939 319 HE3 TRP 48 HE3 TRP 48 1.475 -2.550 6.726 320 HZ2 TRP 48 HZ2 TRP 48 4.491 0.619 9.142 321 HZ3 TRP 48 HZ3 TRP 48 0.711 -1.378 8.772 322 HH2 TRP 48 HH2 TRP 48 2.191 0.193 9.954 323 H CYS 49 HN CYS 49 4.009 0.135 3.664 324 HA CYS 49 HA CYS 49 6.480 -0.073 2.145 325 1HB CYS 49 HB2 CYS 49 4.204 1.903 1.673 326 2HB CYS 49 HB1 CYS 49 5.907 2.438 1.458 327 H ASN 50 HN ASN 50 8.037 1.397 2.937 328 HA ASN 50 HA ASN 50 7.232 2.912 5.321 329 1HB ASN 50 HB2 ASN 50 9.780 1.287 4.736 330 2HB ASN 50 HB1 ASN 50 9.919 2.829 5.659 331 1HD2 ASN 50 HD22 ASN 50 10.716 1.566 7.486 332 2HD2 ASN 50 HD21 ASN 50 9.570 0.821 8.545 333 H ALA 51 HN ALA 51 7.995 5.001 5.284 334 HA ALA 51 HA ALA 51 8.797 6.864 4.642 335 1HB ALA 51 HB1 ALA 51 10.745 5.383 2.815 336 2HB ALA 51 HB2 ALA 51 11.039 5.780 4.544 337 3HB ALA 51 HB3 ALA 51 10.872 7.104 3.328 338 H LEU 52 HN LEU 52 6.433 6.467 3.600 339 HA LEU 52 HA LEU 52 6.648 6.983 0.712 340 1HB LEU 52 HB2 LEU 52 4.220 6.553 2.535 341 2HB LEU 52 HB1 LEU 52 4.059 7.213 0.875 342 HG LEU 52 HG LEU 52 5.377 4.522 1.490 343 1HD1 LEU 52 HD11 LEU 52 3.199 3.510 0.683 344 2HD1 LEU 52 HD12 LEU 52 2.469 5.155 0.657 345 3HD1 LEU 52 HD13 LEU 52 3.019 4.427 2.221 346 1HD2 LEU 52 HD21 LEU 52 4.221 5.544 -1.195 347 2HD2 LEU 52 HD22 LEU 52 5.168 4.046 -0.897 348 3HD2 LEU 52 HD23 LEU 52 5.943 5.654 -0.752 349 HA PRO 53 HA PRO 53 6.294 11.208 2.200 350 1HB PRO 53 HB2 PRO 53 6.150 12.595 -0.233 351 2HB PRO 53 HB1 PRO 53 7.667 11.866 0.414 352 1HG PRO 53 HG1 PRO 53 5.758 10.682 -1.659 353 2HG PRO 53 HG2 PRO 53 7.564 10.774 -1.709 354 1HD PRO 53 HD1 PRO 53 6.132 8.510 -0.883 355 2HD PRO 53 HD2 PRO 53 7.754 8.925 -0.193 356 H ASP 54 HN ASP 54 4.792 13.144 1.807 357 HA ASP 54 HA ASP 54 2.198 12.162 2.314 358 1HB ASP 54 HB2 ASP 54 3.269 15.019 1.977 359 2HB ASP 54 HB1 ASP 54 1.662 14.597 2.703 360 H ASN 55 HN ASN 55 3.506 12.571 -0.735 361 HA ASN 55 HA ASN 55 1.031 13.701 -1.843 362 1HB ASN 55 HB2 ASN 55 2.130 13.669 -4.045 363 2HB ASN 55 HB1 ASN 55 3.100 14.595 -2.855 364 1HD2 ASN 55 HD22 ASN 55 3.126 11.833 -5.041 365 2HD2 ASN 55 HD21 ASN 55 4.730 11.288 -4.661 366 H VAL 56 HN VAL 56 1.917 10.845 -0.578 367 HA VAL 56 HA VAL 56 0.594 9.263 -2.665 368 HB VAL 56 HB VAL 56 2.057 8.050 -0.275 369 1HG1 VAL 56 HG11 VAL 56 2.393 6.191 -1.991 370 2HG1 VAL 56 HG12 VAL 56 1.487 7.156 -3.200 371 3HG1 VAL 56 HG13 VAL 56 0.662 6.526 -1.727 372 1HG2 VAL 56 HG21 VAL 56 3.389 9.020 -2.898 373 2HG2 VAL 56 HG22 VAL 56 4.142 7.940 -1.664 374 3HG2 VAL 56 HG23 VAL 56 3.737 9.618 -1.245 375 H GLY 57 HN GLY 57 -0.765 7.351 -1.044 376 1HA GLY 57 HA2 GLY 57 -1.850 8.563 1.217 377 2HA GLY 57 HA1 GLY 57 -2.969 8.474 -0.252 378 H ILE 58 HN ILE 58 -3.578 6.562 1.866 379 HA ILE 58 HA ILE 58 -2.566 4.090 0.976 380 HB ILE 58 HB ILE 58 -1.645 3.582 3.333 381 1HG1 ILE 58 HG12 ILE 58 -1.398 6.640 3.570 382 2HG1 ILE 58 HG11 ILE 58 -2.628 5.652 4.428 383 1HG2 ILE 58 HG21 ILE 58 0.100 5.629 1.845 384 2HG2 ILE 58 HG22 ILE 58 -0.209 3.974 1.226 385 3HG2 ILE 58 HG23 ILE 58 0.616 4.195 2.806 386 1HD1 ILE 58 HD11 ILE 58 0.428 5.299 4.692 387 2HD1 ILE 58 HD12 ILE 58 -0.841 4.303 5.505 388 3HD1 ILE 58 HD13 ILE 58 -0.676 6.058 5.899 389 H ILE 59 HN ILE 59 -3.400 2.713 3.312 390 HA ILE 59 HA ILE 59 -5.985 2.753 2.449 391 HB ILE 59 HB ILE 59 -5.550 1.278 5.029 392 1HG1 ILE 59 HG12 ILE 59 -3.366 0.983 4.030 393 2HG1 ILE 59 HG11 ILE 59 -4.351 -0.514 4.077 394 1HG2 ILE 59 HG21 ILE 59 -7.677 1.042 3.895 395 2HG2 ILE 59 HG22 ILE 59 -6.769 -0.462 3.558 396 3HG2 ILE 59 HG23 ILE 59 -6.906 0.801 2.294 397 1HD1 ILE 59 HD11 ILE 59 -4.926 -0.092 1.600 398 2HD1 ILE 59 HD12 ILE 59 -3.213 -0.537 1.955 399 3HD1 ILE 59 HD13 ILE 59 -3.640 1.167 1.617 400 H VAL 60 HN VAL 60 -7.585 3.940 2.938 401 HA VAL 60 HA VAL 60 -8.115 4.831 5.692 402 HB VAL 60 HB VAL 60 -8.844 5.668 2.853 403 1HG1 VAL 60 HG11 VAL 60 -10.632 6.313 5.262 404 2HG1 VAL 60 HG12 VAL 60 -11.068 5.380 3.768 405 3HG1 VAL 60 HG13 VAL 60 -10.677 7.128 3.645 406 1HG2 VAL 60 HG21 VAL 60 -8.255 7.920 3.727 407 2HG2 VAL 60 HG22 VAL 60 -6.934 6.730 4.024 408 3HG2 VAL 60 HG23 VAL 60 -8.015 7.234 5.378 409 H GLU 61 HN GLU 61 -10.448 4.134 6.466 410 HA GLU 61 HA GLU 61 -11.784 2.330 4.789 411 1HB GLU 61 HB2 GLU 61 -10.257 0.722 5.996 412 2HB GLU 61 HB1 GLU 61 -10.814 1.396 7.579 413 1HG GLU 61 HG2 GLU 61 -13.146 0.562 7.075 414 2HG GLU 61 HG1 GLU 61 -12.584 -0.041 5.470 415 H GLY 62 HN GLY 62 -13.976 2.391 5.751 416 1HA GLY 62 HA2 GLY 62 -15.360 3.709 7.369 417 2HA GLY 62 HA1 GLY 62 -14.299 5.097 6.817 418 H GLU 63 HN GLU 63 -13.625 4.302 4.367 419 HA GLU 63 HA GLU 63 -16.041 3.618 2.852 420 1HB GLU 63 HB2 GLU 63 -14.297 5.667 2.269 421 2HB GLU 63 HB1 GLU 63 -13.440 4.367 1.421 422 1HG GLU 63 HG2 GLU 63 -16.381 5.296 1.055 423 2HG GLU 63 HG1 GLU 63 -15.008 5.680 -0.046 424 H LYS 64 HN LYS 64 -13.709 2.453 0.927 425 HA LYS 64 HA LYS 64 -12.402 0.525 2.376 426 1HB LYS 64 HB2 LYS 64 -14.830 -0.458 2.355 427 2HB LYS 64 HB1 LYS 64 -14.622 -0.670 0.600 428 1HG LYS 64 HG2 LYS 64 -12.556 -2.139 1.139 429 2HG LYS 64 HG1 LYS 64 -12.862 -1.854 2.876 430 1HD LYS 64 HD2 LYS 64 -14.751 -3.294 0.898 431 2HD LYS 64 HD1 LYS 64 -13.668 -4.080 2.093 432 1HE LYS 64 HE2 LYS 64 -16.095 -2.274 2.763 433 2HE LYS 64 HE1 LYS 64 -15.990 -4.070 2.931 434 1HZ LYS 64 HZ1 LYS 64 -14.176 -3.730 4.507 435 2HZ LYS 64 HZ2 LYS 64 -15.637 -3.016 5.013 436 3HZ LYS 64 HZ3 LYS 64 -14.382 -2.048 4.397 437 H CYS 65 HN CYS 65 -12.778 -0.958 -0.342 438 HA CYS 65 HA CYS 65 -10.909 0.733 -1.768 439 1HB CYS 65 HB2 CYS 65 -10.452 -1.714 -1.647 440 2HB CYS 65 HB1 CYS 65 -12.046 -2.057 -2.369 441 H HIS 66 HN HIS 66 -11.503 2.167 -3.361 442 HA HIS 66 HA HIS 66 -13.826 1.471 -4.940 443 1HB HIS 66 HB2 HIS 66 -14.580 3.869 -5.024 444 2HB HIS 66 HB1 HIS 66 -14.857 3.131 -3.414 445 HD1 HIS 66 HD1 HIS 66 -13.823 6.186 -4.734 446 HD2 HIS 66 HD2 HIS 66 -12.289 3.780 -1.657 447 HE1 HIS 66 HE1 HIS 66 -12.396 7.669 -3.262 448 HE2 HIS 66 HE2 HIS 66 -11.525 6.195 -1.396 449 H SER 67 HN SER 67 -13.352 2.226 -7.231 450 HA SER 67 HA SER 67 -11.175 3.735 -7.793 451 1HB SER 67 HB2 SER 67 -9.982 1.498 -6.882 452 2HB SER 67 HB1 SER 67 -10.719 0.709 -8.321 453 HG SER 67 HG SER 67 -8.524 2.266 -8.036 454 1HN NH2 68 H1 NH2 68 -12.616 2.549 -11.055 455 2HN NH2 68 H2 NH2 68 -11.020 2.809 -10.394 Start of MODEL 20 1 1H VAL 1 HT1 VAL 1 5.408 12.960 5.984 2 2H VAL 1 HT2 VAL 1 6.942 13.010 5.248 3 3H VAL 1 HT3 VAL 1 6.733 12.215 6.739 4 HA VAL 1 HA VAL 1 5.466 11.464 4.204 5 HB VAL 1 HB VAL 1 6.952 9.394 4.328 6 1HG1 VAL 1 HG11 VAL 1 8.275 12.145 3.923 7 2HG1 VAL 1 HG12 VAL 1 7.232 11.266 2.750 8 3HG1 VAL 1 HG13 VAL 1 8.813 10.562 3.225 9 1HG2 VAL 1 HG21 VAL 1 7.616 9.552 6.745 10 2HG2 VAL 1 HG22 VAL 1 8.514 11.077 6.408 11 3HG2 VAL 1 HG23 VAL 1 9.043 9.535 5.655 12 H ARG 2 HN ARG 2 4.793 9.074 4.295 13 HA ARG 2 HA ARG 2 3.184 8.734 6.747 14 1HB ARG 2 HB2 ARG 2 2.646 7.776 3.862 15 2HB ARG 2 HB1 ARG 2 1.485 7.692 5.231 16 1HG ARG 2 HG2 ARG 2 1.116 10.099 5.141 17 2HG ARG 2 HG1 ARG 2 2.610 10.371 4.203 18 1HD ARG 2 HD2 ARG 2 1.071 10.675 2.552 19 2HD ARG 2 HD1 ARG 2 1.579 8.977 2.277 20 HE ARG 2 HE ARG 2 -0.636 8.337 2.615 21 1HH1 ARG 2 HH11 ARG 2 -0.236 11.620 3.979 22 2HH1 ARG 2 HH12 ARG 2 -1.924 11.812 4.311 23 1HH2 ARG 2 HH21 ARG 2 -2.852 8.570 3.207 24 2HH2 ARG 2 HH22 ARG 2 -3.428 10.063 3.866 25 H ASP 3 HN ASP 3 2.903 6.342 7.398 26 HA ASP 3 HA ASP 3 4.407 4.494 5.772 27 1HB ASP 3 HB2 ASP 3 4.505 4.332 8.875 28 2HB ASP 3 HB1 ASP 3 5.308 3.270 7.677 29 H GLY 4 HN GLY 4 2.768 2.769 5.473 30 1HA GLY 4 HA2 GLY 4 0.905 2.371 7.501 31 2HA GLY 4 HA1 GLY 4 0.200 3.257 6.063 32 H TYR 5 HN TYR 5 -0.894 0.925 6.021 33 HA TYR 5 HA TYR 5 0.686 -0.824 4.326 34 1HB TYR 5 HB2 TYR 5 -2.220 -0.884 5.308 35 2HB TYR 5 HB1 TYR 5 -1.769 -1.736 3.787 36 HD1 TYR 5 HD1 TYR 5 -1.161 -1.646 7.494 37 HD2 TYR 5 HD2 TYR 5 -0.359 -3.661 3.783 38 HE1 TYR 5 HE1 TYR 5 -0.036 -3.468 8.715 39 HE2 TYR 5 HE2 TYR 5 0.788 -5.447 4.968 40 HH TYR 5 HH TYR 5 1.658 -6.103 6.954 41 H ILE 6 HN ILE 6 0.506 -0.686 2.026 42 HA ILE 6 HA ILE 6 -0.391 1.973 1.188 43 HB ILE 6 HB ILE 6 1.962 1.551 0.684 44 1HG1 ILE 6 HG12 ILE 6 0.068 1.917 -1.721 45 2HG1 ILE 6 HG11 ILE 6 0.754 3.179 -0.642 46 1HG2 ILE 6 HG21 ILE 6 2.583 -0.099 -1.096 47 2HG2 ILE 6 HG22 ILE 6 0.893 -0.708 -1.121 48 3HG2 ILE 6 HG23 ILE 6 1.919 -0.868 0.363 49 1HD1 ILE 6 HD11 ILE 6 3.095 2.459 -1.528 50 2HD1 ILE 6 HD12 ILE 6 1.998 3.230 -2.722 51 3HD1 ILE 6 HD13 ILE 6 2.219 1.446 -2.733 52 H ALA 7 HN ALA 7 -1.811 2.175 -0.387 53 HA ALA 7 HA ALA 7 -3.500 -0.102 -1.015 54 1HB ALA 7 HB1 ALA 7 -5.284 1.652 -1.464 55 2HB ALA 7 HB2 ALA 7 -4.099 2.937 -1.037 56 3HB ALA 7 HB3 ALA 7 -4.692 1.759 0.192 57 H GLN 8 HN GLN 8 -4.613 2.125 -2.966 58 HA GLN 8 HA GLN 8 -2.586 2.408 -4.898 59 1HB GLN 8 HB2 GLN 8 -5.414 1.302 -5.588 60 2HB GLN 8 HB1 GLN 8 -4.160 1.757 -6.779 61 1HG GLN 8 HG2 GLN 8 -2.764 -0.168 -6.153 62 2HG GLN 8 HG1 GLN 8 -3.825 -0.553 -4.752 63 1HE2 GLN 8 HE22 GLN 8 -5.375 -2.125 -5.139 64 2HE2 GLN 8 HE21 GLN 8 -6.033 -2.505 -6.721 65 HA PRO 9 HA PRO 9 -5.181 5.976 -4.143 66 1HB PRO 9 HB2 PRO 9 -5.238 6.548 -7.170 67 2HB PRO 9 HB1 PRO 9 -4.805 7.691 -5.832 68 1HG PRO 9 HG1 PRO 9 -2.851 6.566 -7.394 69 2HG PRO 9 HG2 PRO 9 -2.614 6.680 -5.597 70 1HD PRO 9 HD1 PRO 9 -3.561 4.245 -7.223 71 2HD PRO 9 HD2 PRO 9 -2.313 4.332 -5.894 72 H GLU 10 HN GLU 10 -8.632 5.317 -5.039 73 HA GLU 10 HA GLU 10 -6.882 7.455 -4.059 74 1HB GLU 10 HB2 GLU 10 -9.891 6.935 -4.032 75 2HB GLU 10 HB1 GLU 10 -9.142 8.306 -3.151 76 1HG GLU 10 HG2 GLU 10 -8.244 9.248 -5.277 77 2HG GLU 10 HG1 GLU 10 -8.872 7.836 -6.194 78 H ASN 11 HN ASN 11 -8.864 4.583 -3.045 79 HA ASN 11 HA ASN 11 -7.459 4.397 -0.640 80 1HB ASN 11 HB2 ASN 11 -9.712 5.552 0.078 81 2HB ASN 11 HB1 ASN 11 -10.584 4.258 -0.829 82 1HD2 ASN 11 HD22 ASN 11 -11.561 3.949 1.442 83 2HD2 ASN 11 HD21 ASN 11 -10.583 3.267 2.730 84 H CYS 12 HN CYS 12 -7.450 2.086 -0.550 85 HA CYS 12 HA CYS 12 -8.887 0.341 -2.073 86 1HB CYS 12 HB2 CYS 12 -6.966 1.717 -3.775 87 2HB CYS 12 HB1 CYS 12 -6.208 0.263 -3.388 88 H VAL 13 HN VAL 13 -6.741 -1.601 -2.469 89 HA VAL 13 HA VAL 13 -5.000 -1.338 -0.259 90 HB VAL 13 HB VAL 13 -4.903 -3.884 -0.116 91 1HG1 VAL 13 HG11 VAL 13 -5.825 -2.583 1.772 92 2HG1 VAL 13 HG12 VAL 13 -6.782 -4.073 1.495 93 3HG1 VAL 13 HG13 VAL 13 -7.431 -2.463 0.957 94 1HG2 VAL 13 HG21 VAL 13 -6.262 -4.414 -2.161 95 2HG2 VAL 13 HG22 VAL 13 -7.727 -3.724 -1.366 96 3HG2 VAL 13 HG23 VAL 13 -6.917 -5.185 -0.680 97 H TYR 14 HN TYR 14 -2.996 -2.578 -1.219 98 HA TYR 14 HA TYR 14 -3.175 -2.716 -4.121 99 1HB TYR 14 HB2 TYR 14 -0.913 -2.235 -2.329 100 2HB TYR 14 HB1 TYR 14 -0.611 -3.795 -3.126 101 HD1 TYR 14 HD1 TYR 14 0.547 -0.747 -3.439 102 HD2 TYR 14 HD2 TYR 14 -1.794 -3.441 -5.858 103 HE1 TYR 14 HE1 TYR 14 1.331 0.382 -5.471 104 HE2 TYR 14 HE2 TYR 14 -1.042 -2.295 -7.873 105 HH TYR 14 HH TYR 14 0.255 -0.624 -8.740 106 H HIS 15 HN HIS 15 -1.612 -5.309 -4.443 107 HA HIS 15 HA HIS 15 -3.008 -7.077 -2.724 108 1HB HIS 15 HB2 HIS 15 -3.264 -7.121 -5.812 109 2HB HIS 15 HB1 HIS 15 -3.309 -8.623 -4.819 110 HD1 HIS 15 HD1 HIS 15 -5.784 -7.958 -6.425 111 HD2 HIS 15 HD2 HIS 15 -5.255 -6.764 -2.435 112 HE1 HIS 15 HE1 HIS 15 -8.089 -7.611 -5.426 113 HE2 HIS 15 HE2 HIS 15 -7.719 -6.911 -3.016 114 H CYS 16 HN CYS 16 -1.442 -8.925 -2.735 115 HA CYS 16 HA CYS 16 0.971 -8.606 -3.987 116 1HB CYS 16 HB2 CYS 16 1.210 -6.699 -2.266 117 2HB CYS 16 HB1 CYS 16 0.818 -7.867 -0.977 118 H PHE 17 HN PHE 17 2.079 -10.336 -1.726 119 HA PHE 17 HA PHE 17 0.176 -12.494 -1.893 120 1HB PHE 17 HB2 PHE 17 3.159 -12.460 -2.822 121 2HB PHE 17 HB1 PHE 17 2.003 -13.817 -3.021 122 HD1 PHE 17 HD1 PHE 17 3.441 -10.884 -4.526 123 HD2 PHE 17 HD2 PHE 17 -0.228 -13.142 -4.458 124 HE1 PHE 17 HE1 PHE 17 2.811 -9.942 -6.711 125 HE2 PHE 17 HE2 PHE 17 -0.845 -12.191 -6.643 126 HZ PHE 17 HZ PHE 17 0.671 -10.598 -7.784 127 HA PRO 18 HA PRO 18 2.580 -12.734 1.973 128 1HB PRO 18 HB2 PRO 18 3.066 -15.446 2.450 129 2HB PRO 18 HB1 PRO 18 1.437 -14.693 2.576 130 1HG PRO 18 HG1 PRO 18 2.607 -16.181 0.165 131 2HG PRO 18 HG2 PRO 18 1.005 -16.452 0.975 132 1HD PRO 18 HD1 PRO 18 1.225 -14.871 -1.278 133 2HD PRO 18 HD2 PRO 18 0.107 -14.398 0.078 134 H GLY 19 HN GLY 19 4.148 -11.797 -0.086 135 1HA GLY 19 HA2 GLY 19 6.689 -12.296 0.840 136 2HA GLY 19 HA1 GLY 19 6.398 -13.179 -0.745 137 H SER 20 HN SER 20 7.761 -10.372 0.079 138 HA SER 20 HA SER 20 6.121 -8.436 -1.003 139 1HB SER 20 HB2 SER 20 9.175 -8.281 -0.658 140 2HB SER 20 HB1 SER 20 7.943 -7.004 -0.340 141 HG SER 20 HG SER 20 8.815 -8.048 1.526 142 H SER 21 HN SER 21 6.838 -10.700 -2.935 143 HA SER 21 HA SER 21 9.030 -10.270 -4.350 144 1HB SER 21 HB2 SER 21 6.478 -11.518 -5.531 145 2HB SER 21 HB1 SER 21 8.195 -12.027 -5.766 146 HG SER 21 HG SER 21 7.149 -13.361 -4.280 147 H GLY 22 HN GLY 22 5.703 -9.168 -5.275 148 1HA GLY 22 HA2 GLY 22 6.839 -7.818 -7.597 149 2HA GLY 22 HA1 GLY 22 5.113 -7.955 -7.090 150 H CYS 23 HN CYS 23 5.977 -7.111 -4.246 151 HA CYS 23 HA CYS 23 5.239 -4.431 -4.959 152 1HB CYS 23 HB2 CYS 23 4.067 -5.761 -3.116 153 2HB CYS 23 HB1 CYS 23 5.480 -5.359 -2.084 154 H ASP 24 HN ASP 24 8.206 -6.018 -4.256 155 HA ASP 24 HA ASP 24 9.741 -3.983 -3.218 156 1HB ASP 24 HB2 ASP 24 10.530 -6.323 -3.795 157 2HB ASP 24 HB1 ASP 24 10.447 -5.907 -5.539 158 H THR 25 HN THR 25 9.036 -4.608 -6.763 159 HA THR 25 HA THR 25 9.866 -2.160 -7.676 160 HB THR 25 HB THR 25 7.741 -2.986 -9.338 161 HG1 THR 25 HG1 THR 25 7.482 -4.917 -8.065 162 1HG2 THR 25 HG21 THR 25 10.711 -3.884 -9.292 163 2HG2 THR 25 HG22 THR 25 10.074 -2.357 -10.013 164 3HG2 THR 25 HG23 THR 25 9.612 -3.946 -10.721 165 H LEU 26 HN LEU 26 6.507 -3.188 -6.635 166 HA LEU 26 HA LEU 26 5.339 -0.872 -7.625 167 1HB LEU 26 HB2 LEU 26 4.326 -2.555 -5.267 168 2HB LEU 26 HB1 LEU 26 3.372 -1.384 -6.188 169 HG LEU 26 HG LEU 26 4.626 -3.897 -7.449 170 1HD1 LEU 26 HD11 LEU 26 2.980 -4.536 -5.689 171 2HD1 LEU 26 HD12 LEU 26 2.368 -4.912 -7.337 172 3HD1 LEU 26 HD13 LEU 26 1.742 -3.476 -6.443 173 1HD2 LEU 26 HD21 LEU 26 4.171 -2.106 -9.112 174 2HD2 LEU 26 HD22 LEU 26 2.484 -1.945 -8.499 175 3HD2 LEU 26 HD23 LEU 26 3.013 -3.468 -9.306 176 H CYS 27 HN CYS 27 6.496 -1.653 -4.314 177 HA CYS 27 HA CYS 27 5.542 0.680 -3.121 178 1HB CYS 27 HB2 CYS 27 6.392 -1.428 -1.933 179 2HB CYS 27 HB1 CYS 27 8.055 -0.932 -2.341 180 H LYS 28 HN LYS 28 8.659 -0.063 -4.871 181 HA LYS 28 HA LYS 28 9.704 2.451 -3.964 182 1HB LYS 28 HB2 LYS 28 10.839 0.426 -5.939 183 2HB LYS 28 HB1 LYS 28 11.659 1.943 -5.414 184 1HG LYS 28 HG2 LYS 28 11.396 1.170 -2.984 185 2HG LYS 28 HG1 LYS 28 10.752 -0.377 -3.599 186 1HD LYS 28 HD2 LYS 28 13.037 -0.769 -3.044 187 2HD LYS 28 HD1 LYS 28 12.926 -0.778 -4.833 188 1HE LYS 28 HE2 LYS 28 14.980 0.414 -4.040 189 2HE LYS 28 HE1 LYS 28 13.884 1.568 -4.896 190 1HZ LYS 28 HZ1 LYS 28 14.776 2.482 -2.879 191 2HZ LYS 28 HZ2 LYS 28 14.114 1.230 -1.946 192 3HZ LYS 28 HZ3 LYS 28 13.091 2.319 -2.757 193 H GLU 29 HN GLU 29 7.964 1.371 -6.918 194 HA GLU 29 HA GLU 29 8.675 3.802 -8.263 195 1HB GLU 29 HB2 GLU 29 7.089 3.230 -9.994 196 2HB GLU 29 HB1 GLU 29 8.125 1.826 -9.576 197 1HG GLU 29 HG2 GLU 29 6.207 0.950 -8.149 198 2HG GLU 29 HG1 GLU 29 5.162 2.272 -8.780 199 H LYS 30 HN LYS 30 6.259 2.967 -5.869 200 HA LYS 30 HA LYS 30 4.732 5.391 -6.374 201 1HB LYS 30 HB2 LYS 30 4.611 3.277 -4.156 202 2HB LYS 30 HB1 LYS 30 3.494 4.677 -4.252 203 1HG LYS 30 HG2 LYS 30 3.814 2.643 -6.548 204 2HG LYS 30 HG1 LYS 30 2.700 2.352 -5.186 205 1HD LYS 30 HD2 LYS 30 2.567 4.833 -7.026 206 2HD LYS 30 HD1 LYS 30 1.683 3.304 -7.336 207 1HE LYS 30 HE2 LYS 30 1.306 5.080 -4.830 208 2HE LYS 30 HE1 LYS 30 0.202 4.999 -6.260 209 1HZ LYS 30 HZ1 LYS 30 0.853 2.767 -4.406 210 2HZ LYS 30 HZ2 LYS 30 -0.145 2.655 -5.773 211 3HZ LYS 30 HZ3 LYS 30 -0.589 3.652 -4.472 212 H GLY 31 HN GLY 31 7.421 4.236 -4.435 213 1HA GLY 31 HA2 GLY 31 9.079 5.807 -4.134 214 2HA GLY 31 HA1 GLY 31 7.851 7.058 -3.705 215 H GLY 32 HN GLY 32 7.819 3.661 -2.488 216 1HA GLY 32 HA2 GLY 32 8.287 4.723 0.201 217 2HA GLY 32 HA1 GLY 32 7.650 3.110 -0.309 218 H THR 33 HN THR 33 9.942 3.728 1.541 219 HA THR 33 HA THR 33 12.281 3.366 -0.141 220 HB THR 33 HB THR 33 13.468 3.921 2.019 221 HG1 THR 33 HG1 THR 33 12.264 4.444 3.746 222 1HG2 THR 33 HG21 THR 33 12.767 5.669 0.309 223 2HG2 THR 33 HG22 THR 33 12.738 6.315 1.983 224 3HG2 THR 33 HG23 THR 33 11.199 5.877 1.161 225 H SER 34 HN SER 34 10.125 1.444 1.832 226 HA SER 34 HA SER 34 11.549 -0.849 1.211 227 1HB SER 34 HB2 SER 34 11.360 -0.003 4.198 228 2HB SER 34 HB1 SER 34 11.648 -1.704 3.658 229 HG SER 34 HG SER 34 13.283 0.313 2.601 230 H GLY 35 HN GLY 35 9.859 -2.702 2.208 231 1HA GLY 35 HA2 GLY 35 7.387 -1.779 2.913 232 2HA GLY 35 HA1 GLY 35 7.509 -2.094 1.116 233 H HIS 36 HN HIS 36 5.964 -4.014 2.273 234 HA HIS 36 HA HIS 36 7.288 -6.316 1.884 235 1HB HIS 36 HB2 HIS 36 6.939 -7.481 4.092 236 2HB HIS 36 HB1 HIS 36 8.259 -6.282 4.190 237 HD1 HIS 36 HD1 HIS 36 7.778 -4.112 5.581 238 HD2 HIS 36 HD2 HIS 36 4.703 -6.964 5.762 239 HE1 HIS 36 HE1 HIS 36 6.271 -3.473 7.517 240 HE2 HIS 36 HE2 HIS 36 4.446 -5.230 7.610 241 H CYS 37 HN CYS 37 4.974 -7.822 3.255 242 HA CYS 37 HA CYS 37 2.743 -6.229 2.368 243 1HB CYS 37 HB2 CYS 37 3.477 -8.981 1.147 244 2HB CYS 37 HB1 CYS 37 1.897 -8.150 0.953 245 H GLY 38 HN GLY 38 0.652 -7.551 3.102 246 1HA GLY 38 HA2 GLY 38 0.889 -9.801 4.555 247 2HA GLY 38 HA1 GLY 38 1.190 -8.396 5.687 248 H PHE 39 HN PHE 39 -1.087 -9.451 6.404 249 HA PHE 39 HA PHE 39 -3.111 -7.758 5.195 250 1HB PHE 39 HB2 PHE 39 -3.474 -10.248 4.496 251 2HB PHE 39 HB1 PHE 39 -3.440 -10.683 6.237 252 HD1 PHE 39 HD1 PHE 39 -5.196 -7.749 4.511 253 HD2 PHE 39 HD2 PHE 39 -5.591 -11.514 6.571 254 HE1 PHE 39 HE1 PHE 39 -7.630 -7.502 4.503 255 HE2 PHE 39 HE2 PHE 39 -8.044 -11.254 6.546 256 HZ PHE 39 HZ PHE 39 -9.077 -9.255 5.500 257 H LYS 40 HN LYS 40 -3.663 -6.402 6.895 258 HA LYS 40 HA LYS 40 -3.784 -7.509 9.563 259 1HB LYS 40 HB2 LYS 40 -2.333 -4.870 8.858 260 2HB LYS 40 HB1 LYS 40 -2.897 -5.293 10.510 261 1HG LYS 40 HG2 LYS 40 -0.824 -6.882 8.879 262 2HG LYS 40 HG1 LYS 40 -0.424 -5.677 10.141 263 1HD LYS 40 HD2 LYS 40 -1.498 -7.038 11.889 264 2HD LYS 40 HD1 LYS 40 -2.086 -8.229 10.681 265 1HE LYS 40 HE2 LYS 40 0.899 -7.678 11.268 266 2HE LYS 40 HE1 LYS 40 -0.076 -9.066 11.901 267 1HZ LYS 40 HZ1 LYS 40 1.128 -9.747 10.005 268 2HZ LYS 40 HZ2 LYS 40 0.545 -8.456 9.065 269 3HZ LYS 40 HZ3 LYS 40 -0.516 -9.675 9.579 270 H VAL 41 HN VAL 41 -5.735 -7.645 8.129 271 HA VAL 41 HA VAL 41 -7.503 -7.087 7.167 272 HB VAL 41 HB VAL 41 -7.930 -4.720 8.937 273 1HG1 VAL 41 HG11 VAL 41 -9.745 -7.040 7.896 274 2HG1 VAL 41 HG12 VAL 41 -9.773 -5.379 7.221 275 3HG1 VAL 41 HG13 VAL 41 -10.301 -5.665 8.909 276 1HG2 VAL 41 HG21 VAL 41 -8.000 -7.695 9.757 277 2HG2 VAL 41 HG22 VAL 41 -8.800 -6.372 10.677 278 3HG2 VAL 41 HG23 VAL 41 -7.022 -6.362 10.496 279 H GLY 42 HN GLY 42 -8.543 -4.269 6.724 280 1HA GLY 42 HA2 GLY 42 -7.657 -2.465 5.404 281 2HA GLY 42 HA1 GLY 42 -6.771 -3.753 4.455 282 H HIS 43 HN HIS 43 -7.915 -4.192 2.677 283 HA HIS 43 HA HIS 43 -10.828 -4.589 2.849 284 1HB HIS 43 HB2 HIS 43 -9.083 -3.917 0.397 285 2HB HIS 43 HB1 HIS 43 -10.854 -4.067 0.400 286 HD1 HIS 43 HD1 HIS 43 -9.938 -1.642 -0.792 287 HD2 HIS 43 HD2 HIS 43 -10.178 -1.794 3.395 288 HE1 HIS 43 HE1 HIS 43 -9.914 0.737 0.040 289 HE2 HIS 43 HE2 HIS 43 -10.044 0.608 2.573 290 H GLY 44 HN GLY 44 -7.556 -6.001 2.299 291 1HA GLY 44 HA2 GLY 44 -8.372 -8.522 1.905 292 2HA GLY 44 HA1 GLY 44 -8.071 -7.708 0.278 293 H LEU 45 HN LEU 45 -5.951 -9.257 0.629 294 HA LEU 45 HA LEU 45 -4.080 -8.444 2.579 295 1HB LEU 45 HB2 LEU 45 -4.302 -10.718 1.419 296 2HB LEU 45 HB1 LEU 45 -3.574 -9.989 -0.045 297 HG LEU 45 HG LEU 45 -2.153 -9.924 2.681 298 1HD1 LEU 45 HD11 LEU 45 -2.095 -12.261 0.666 299 2HD1 LEU 45 HD12 LEU 45 -2.812 -12.291 2.319 300 3HD1 LEU 45 HD13 LEU 45 -1.034 -12.085 2.111 301 1HD2 LEU 45 HD21 LEU 45 -1.048 -10.032 -0.195 302 2HD2 LEU 45 HD22 LEU 45 -0.062 -9.963 1.305 303 3HD2 LEU 45 HD23 LEU 45 -1.090 -8.568 0.845 304 H ALA 46 HN ALA 46 -2.274 -6.906 2.323 305 HA ALA 46 HA ALA 46 -2.725 -5.140 0.000 306 1HB ALA 46 HB1 ALA 46 -2.562 -3.191 1.576 307 2HB ALA 46 HB2 ALA 46 -2.404 -4.337 2.968 308 3HB ALA 46 HB3 ALA 46 -3.931 -4.260 2.037 309 H CYS 47 HN CYS 47 -0.618 -3.185 0.724 310 HA CYS 47 HA CYS 47 1.675 -5.035 1.006 311 1HB CYS 47 HB2 CYS 47 1.616 -4.569 -1.390 312 2HB CYS 47 HB1 CYS 47 1.320 -2.836 -1.088 313 H TRP 48 HN TRP 48 3.531 -3.678 2.033 314 HA TRP 48 HA TRP 48 2.378 -1.445 3.583 315 1HB TRP 48 HB2 TRP 48 2.896 -3.271 5.170 316 2HB TRP 48 HB1 TRP 48 4.449 -3.590 4.329 317 HD1 TRP 48 HD1 TRP 48 6.516 -1.891 4.832 318 HE1 TRP 48 HE1 TRP 48 6.995 -0.187 6.602 319 HE3 TRP 48 HE3 TRP 48 1.865 -1.779 6.868 320 HZ2 TRP 48 HZ2 TRP 48 5.471 1.131 8.747 321 HZ3 TRP 48 HZ3 TRP 48 1.425 -0.324 8.824 322 HH2 TRP 48 HH2 TRP 48 3.213 1.119 9.745 323 H CYS 49 HN CYS 49 3.934 0.408 3.768 324 HA CYS 49 HA CYS 49 6.375 0.108 2.276 325 1HB CYS 49 HB2 CYS 49 4.197 2.146 1.582 326 2HB CYS 49 HB1 CYS 49 5.934 2.492 1.277 327 H ASN 50 HN ASN 50 7.889 1.637 3.075 328 HA ASN 50 HA ASN 50 6.988 3.174 5.432 329 1HB ASN 50 HB2 ASN 50 9.754 2.035 4.643 330 2HB ASN 50 HB1 ASN 50 9.591 3.365 5.836 331 1HD2 ASN 50 HD21 ASN 50 8.626 2.949 7.918 332 2HD2 ASN 50 HD22 ASN 50 8.494 1.326 8.522 333 H ALA 51 HN ALA 51 7.392 5.356 5.386 334 HA ALA 51 HA ALA 51 7.878 7.316 4.794 335 1HB ALA 51 HB1 ALA 51 10.351 6.214 3.390 336 2HB ALA 51 HB2 ALA 51 10.238 6.597 5.152 337 3HB ALA 51 HB3 ALA 51 10.095 7.914 3.924 338 H LEU 52 HN LEU 52 5.864 6.730 3.375 339 HA LEU 52 HA LEU 52 6.458 7.040 0.535 340 1HB LEU 52 HB2 LEU 52 3.857 6.701 2.111 341 2HB LEU 52 HB1 LEU 52 3.817 7.288 0.417 342 HG LEU 52 HG LEU 52 5.181 4.669 1.207 343 1HD1 LEU 52 HD11 LEU 52 2.280 5.152 0.254 344 2HD1 LEU 52 HD12 LEU 52 2.812 4.494 1.850 345 3HD1 LEU 52 HD13 LEU 52 3.093 3.546 0.347 346 1HD2 LEU 52 HD21 LEU 52 4.984 4.125 -1.211 347 2HD2 LEU 52 HD22 LEU 52 5.881 5.660 -1.001 348 3HD2 LEU 52 HD23 LEU 52 4.179 5.698 -1.543 349 HA PRO 53 HA PRO 53 6.009 11.437 1.077 350 1HB PRO 53 HB2 PRO 53 4.851 11.285 -1.772 351 2HB PRO 53 HB1 PRO 53 6.049 12.481 -1.135 352 1HG PRO 53 HG1 PRO 53 6.894 10.375 -2.653 353 2HG PRO 53 HG2 PRO 53 7.804 10.784 -1.138 354 1HD PRO 53 HD1 PRO 53 5.712 8.577 -1.544 355 2HD PRO 53 HD2 PRO 53 7.287 8.525 -0.653 356 H ASP 54 HN ASP 54 4.402 13.165 1.131 357 HA ASP 54 HA ASP 54 2.118 12.463 2.353 358 1HB ASP 54 HB2 ASP 54 2.772 15.029 0.798 359 2HB ASP 54 HB1 ASP 54 1.434 14.895 2.010 360 H ASN 55 HN ASN 55 2.549 12.785 -1.166 361 HA ASN 55 HA ASN 55 -0.310 13.133 -1.561 362 1HB ASN 55 HB2 ASN 55 0.276 13.648 -3.910 363 2HB ASN 55 HB1 ASN 55 1.124 14.734 -2.763 364 1HD2 ASN 55 HD22 ASN 55 1.862 13.972 -5.602 365 2HD2 ASN 55 HD21 ASN 55 3.438 13.242 -5.505 366 H VAL 56 HN VAL 56 1.254 10.497 -0.790 367 HA VAL 56 HA VAL 56 0.225 8.890 -3.028 368 HB VAL 56 HB VAL 56 1.784 7.935 -0.567 369 1HG1 VAL 56 HG11 VAL 56 1.134 6.685 -3.332 370 2HG1 VAL 56 HG12 VAL 56 0.423 6.186 -1.749 371 3HG1 VAL 56 HG13 VAL 56 2.164 5.922 -2.070 372 1HG2 VAL 56 HG21 VAL 56 3.788 7.883 -2.112 373 2HG2 VAL 56 HG22 VAL 56 3.238 9.544 -1.756 374 3HG2 VAL 56 HG23 VAL 56 2.848 8.804 -3.344 375 H GLY 57 HN GLY 57 -1.651 7.524 -2.507 376 1HA GLY 57 HA2 GLY 57 -2.877 8.229 0.078 377 2HA GLY 57 HA1 GLY 57 -3.721 7.710 -1.456 378 H ILE 58 HN ILE 58 -3.882 6.317 1.189 379 HA ILE 58 HA ILE 58 -2.536 3.851 0.503 380 HB ILE 58 HB ILE 58 -1.821 3.593 2.865 381 1HG1 ILE 58 HG12 ILE 58 -2.295 6.621 3.149 382 2HG1 ILE 58 HG11 ILE 58 -3.326 5.345 3.890 383 1HG2 ILE 58 HG21 ILE 58 0.289 4.787 2.544 384 2HG2 ILE 58 HG22 ILE 58 -0.487 6.030 1.500 385 3HG2 ILE 58 HG23 ILE 58 -0.305 4.342 0.913 386 1HD1 ILE 58 HD11 ILE 58 -1.301 4.412 5.061 387 2HD1 ILE 58 HD12 ILE 58 -1.701 6.096 5.563 388 3HD1 ILE 58 HD13 ILE 58 -0.317 5.792 4.445 389 H ILE 59 HN ILE 59 -3.491 2.613 3.059 390 HA ILE 59 HA ILE 59 -6.179 2.333 2.189 391 HB ILE 59 HB ILE 59 -5.479 1.435 4.991 392 1HG1 ILE 59 HG12 ILE 59 -3.459 0.687 3.946 393 2HG1 ILE 59 HG11 ILE 59 -4.564 -0.677 4.280 394 1HG2 ILE 59 HG21 ILE 59 -7.094 0.292 2.605 395 2HG2 ILE 59 HG22 ILE 59 -7.758 1.183 4.023 396 3HG2 ILE 59 HG23 ILE 59 -6.989 -0.427 4.262 397 1HD1 ILE 59 HD11 ILE 59 -3.612 -1.149 2.120 398 2HD1 ILE 59 HD12 ILE 59 -3.850 0.534 1.562 399 3HD1 ILE 59 HD13 ILE 59 -5.279 -0.539 1.774 400 H VAL 60 HN VAL 60 -7.920 3.462 2.920 401 HA VAL 60 HA VAL 60 -7.500 5.295 5.206 402 HB VAL 60 HB VAL 60 -9.108 5.574 2.609 403 1HG1 VAL 60 HG11 VAL 60 -10.494 6.432 4.447 404 2HG1 VAL 60 HG12 VAL 60 -9.823 7.786 3.467 405 3HG1 VAL 60 HG13 VAL 60 -9.095 7.400 5.082 406 1HG2 VAL 60 HG21 VAL 60 -6.659 6.062 2.396 407 2HG2 VAL 60 HG22 VAL 60 -6.764 7.213 3.781 408 3HG2 VAL 60 HG23 VAL 60 -7.635 7.557 2.242 409 H GLU 61 HN GLU 61 -9.001 4.921 6.840 410 HA GLU 61 HA GLU 61 -10.439 3.878 8.054 411 1HB GLU 61 HB2 GLU 61 -11.934 5.093 6.321 412 2HB GLU 61 HB1 GLU 61 -12.116 3.542 5.505 413 1HG GLU 61 HG2 GLU 61 -14.086 4.075 6.902 414 2HG GLU 61 HG1 GLU 61 -13.279 2.625 7.589 415 H GLY 62 HN GLY 62 -12.204 1.658 6.467 416 1HA GLY 62 HA2 GLY 62 -10.254 -0.226 5.612 417 2HA GLY 62 HA1 GLY 62 -11.195 -0.695 7.120 418 H GLU 63 HN GLU 63 -11.718 1.203 4.128 419 HA GLU 63 HA GLU 63 -14.530 0.396 4.273 420 1HB GLU 63 HB2 GLU 63 -13.938 2.838 4.349 421 2HB GLU 63 HB1 GLU 63 -13.288 2.714 2.693 422 1HG GLU 63 HG2 GLU 63 -15.667 1.949 1.962 423 2HG GLU 63 HG1 GLU 63 -16.203 2.256 3.652 424 H LYS 64 HN LYS 64 -13.082 1.547 1.184 425 HA LYS 64 HA LYS 64 -13.346 -1.020 0.011 426 1HB LYS 64 HB2 LYS 64 -15.796 -0.301 0.326 427 2HB LYS 64 HB1 LYS 64 -15.420 1.238 -0.508 428 1HG LYS 64 HG2 LYS 64 -16.677 -0.348 -1.924 429 2HG LYS 64 HG1 LYS 64 -15.091 0.040 -2.641 430 1HD LYS 64 HD2 LYS 64 -14.200 -2.197 -1.781 431 2HD LYS 64 HD1 LYS 64 -15.804 -2.516 -1.049 432 1HE LYS 64 HE2 LYS 64 -15.551 -3.734 -3.204 433 2HE LYS 64 HE1 LYS 64 -16.869 -2.497 -3.326 434 1HZ LYS 64 HZ1 LYS 64 -14.082 -2.226 -4.336 435 2HZ LYS 64 HZ2 LYS 64 -15.289 -1.026 -4.408 436 3HZ LYS 64 HZ3 LYS 64 -15.487 -2.484 -5.254 437 H CYS 65 HN CYS 65 -13.094 -0.313 -2.490 438 HA CYS 65 HA CYS 65 -10.889 1.579 -2.458 439 1HB CYS 65 HB2 CYS 65 -10.450 -0.771 -3.300 440 2HB CYS 65 HB1 CYS 65 -11.760 -0.568 -4.488 441 H HIS 66 HN HIS 66 -10.860 3.275 -4.161 442 HA HIS 66 HA HIS 66 -12.928 3.298 -6.054 443 1HB HIS 66 HB2 HIS 66 -13.629 5.708 -5.590 444 2HB HIS 66 HB1 HIS 66 -14.280 4.544 -4.392 445 HD1 HIS 66 HD1 HIS 66 -12.607 7.716 -4.530 446 HD2 HIS 66 HD2 HIS 66 -12.656 4.485 -1.849 447 HE1 HIS 66 HE1 HIS 66 -11.780 8.580 -2.306 448 HE2 HIS 66 HE2 HIS 66 -11.853 6.611 -0.704 449 H SER 67 HN SER 67 -12.057 4.989 -7.773 450 HA SER 67 HA SER 67 -9.556 6.085 -7.203 451 1HB SER 67 HB2 SER 67 -9.887 3.968 -9.466 452 2HB SER 67 HB1 SER 67 -8.417 4.966 -9.165 453 HG SER 67 HG SER 67 -8.036 3.775 -7.292 454 1HN NH2 68 H1 NH2 68 -9.374 7.487 -9.371 455 2HN NH2 68 H2 NH2 68 -10.890 7.890 -10.113 Start of MODEL 21 1 1H VAL 1 HT1 VAL 1 6.169 12.319 6.409 2 2H VAL 1 HT2 VAL 1 4.861 12.896 5.494 3 3H VAL 1 HT3 VAL 1 6.442 13.016 4.879 4 HA VAL 1 HA VAL 1 5.192 11.283 3.852 5 HB VAL 1 HB VAL 1 6.823 9.429 4.117 6 1HG1 VAL 1 HG11 VAL 1 8.254 12.164 4.306 7 2HG1 VAL 1 HG12 VAL 1 7.433 11.532 2.830 8 3HG1 VAL 1 HG13 VAL 1 8.845 10.660 3.513 9 1HG2 VAL 1 HG21 VAL 1 7.793 10.956 6.634 10 2HG2 VAL 1 HG22 VAL 1 8.649 9.582 5.849 11 3HG2 VAL 1 HG23 VAL 1 7.036 9.318 6.587 12 H ARG 2 HN ARG 2 4.469 8.890 4.125 13 HA ARG 2 HA ARG 2 3.240 8.503 6.801 14 1HB ARG 2 HB2 ARG 2 2.417 6.995 4.241 15 2HB ARG 2 HB1 ARG 2 1.637 6.977 5.857 16 1HG ARG 2 HG2 ARG 2 0.173 8.167 4.620 17 2HG ARG 2 HG1 ARG 2 1.073 9.505 5.413 18 1HD ARG 2 HD2 ARG 2 2.088 10.179 3.319 19 2HD ARG 2 HD1 ARG 2 1.986 8.507 2.649 20 HE ARG 2 HE ARG 2 -0.209 8.842 1.967 21 1HH1 ARG 2 HH11 ARG 2 0.717 11.569 4.098 22 2HH1 ARG 2 HH12 ARG 2 -0.655 12.534 3.673 23 1HH2 ARG 2 HH21 ARG 2 -1.973 10.202 1.339 24 2HH2 ARG 2 HH22 ARG 2 -2.216 11.741 2.092 25 H ASP 3 HN ASP 3 3.169 6.069 7.426 26 HA ASP 3 HA ASP 3 4.707 4.365 5.715 27 1HB ASP 3 HB2 ASP 3 4.573 4.094 8.825 28 2HB ASP 3 HB1 ASP 3 5.195 2.858 7.680 29 H GLY 4 HN GLY 4 3.034 2.586 5.377 30 1HA GLY 4 HA2 GLY 4 0.907 2.489 7.184 31 2HA GLY 4 HA1 GLY 4 0.468 3.320 5.612 32 H TYR 5 HN TYR 5 -0.822 1.016 5.771 33 HA TYR 5 HA TYR 5 0.708 -0.995 4.355 34 1HB TYR 5 HB2 TYR 5 -2.276 -0.598 4.982 35 2HB TYR 5 HB1 TYR 5 -1.724 -1.833 3.797 36 HD1 TYR 5 HD1 TYR 5 0.247 -3.418 4.726 37 HD2 TYR 5 HD2 TYR 5 -2.619 -1.330 7.163 38 HE1 TYR 5 HE1 TYR 5 0.612 -5.025 6.522 39 HE2 TYR 5 HE2 TYR 5 -2.297 -2.977 8.955 40 HH TYR 5 HH TYR 5 -1.150 -4.848 9.646 41 H ILE 6 HN ILE 6 0.655 -0.964 1.934 42 HA ILE 6 HA ILE 6 -0.164 1.705 1.017 43 HB ILE 6 HB ILE 6 2.126 1.283 0.471 44 1HG1 ILE 6 HG12 ILE 6 0.252 1.455 -1.968 45 2HG1 ILE 6 HG11 ILE 6 0.719 2.807 -0.886 46 1HG2 ILE 6 HG21 ILE 6 2.721 -0.432 -1.258 47 2HG2 ILE 6 HG22 ILE 6 1.031 -1.041 -1.243 48 3HG2 ILE 6 HG23 ILE 6 2.062 -1.162 0.239 49 1HD1 ILE 6 HD11 ILE 6 2.004 2.914 -2.964 50 2HD1 ILE 6 HD12 ILE 6 2.561 1.216 -2.789 51 3HD1 ILE 6 HD13 ILE 6 3.141 2.486 -1.643 52 H ALA 7 HN ALA 7 -1.652 1.983 -0.475 53 HA ALA 7 HA ALA 7 -3.349 -0.291 -1.101 54 1HB ALA 7 HB1 ALA 7 -4.007 2.733 -1.107 55 2HB ALA 7 HB2 ALA 7 -4.523 1.562 0.154 56 3HB ALA 7 HB3 ALA 7 -5.161 1.407 -1.499 57 H GLN 8 HN GLN 8 -4.453 2.060 -3.046 58 HA GLN 8 HA GLN 8 -2.356 2.149 -4.956 59 1HB GLN 8 HB2 GLN 8 -5.280 1.237 -5.504 60 2HB GLN 8 HB1 GLN 8 -4.169 1.817 -6.797 61 1HG GLN 8 HG2 GLN 8 -2.658 -0.076 -6.455 62 2HG GLN 8 HG1 GLN 8 -3.549 -0.622 -4.997 63 1HE2 GLN 8 HE21 GLN 8 -5.599 -1.683 -5.226 64 2HE2 GLN 8 HE22 GLN 8 -6.244 -2.151 -6.783 65 HA PRO 9 HA PRO 9 -4.426 6.013 -4.167 66 1HB PRO 9 HB2 PRO 9 -4.149 6.613 -7.178 67 2HB PRO 9 HB1 PRO 9 -3.719 7.698 -5.791 68 1HG PRO 9 HG1 PRO 9 -1.745 6.362 -7.122 69 2HG PRO 9 HG2 PRO 9 -1.730 6.397 -5.309 70 1HD PRO 9 HD1 PRO 9 -2.747 4.132 -7.126 71 2HD PRO 9 HD2 PRO 9 -1.690 4.057 -5.636 72 H GLU 10 HN GLU 10 -7.847 6.168 -5.448 73 HA GLU 10 HA GLU 10 -5.854 7.760 -4.085 74 1HB GLU 10 HB2 GLU 10 -8.910 7.711 -4.082 75 2HB GLU 10 HB1 GLU 10 -7.942 8.811 -3.044 76 1HG GLU 10 HG2 GLU 10 -6.845 9.791 -5.092 77 2HG GLU 10 HG1 GLU 10 -7.816 8.689 -6.138 78 H ASN 11 HN ASN 11 -7.869 4.820 -3.518 79 HA ASN 11 HA ASN 11 -6.692 4.330 -1.093 80 1HB ASN 11 HB2 ASN 11 -8.632 5.766 -0.234 81 2HB ASN 11 HB1 ASN 11 -9.748 4.905 -1.351 82 1HD2 ASN 11 HD22 ASN 11 -11.086 4.261 0.537 83 2HD2 ASN 11 HD21 ASN 11 -10.576 2.978 1.571 84 H CYS 12 HN CYS 12 -7.488 2.066 -0.891 85 HA CYS 12 HA CYS 12 -9.120 0.474 -1.960 86 1HB CYS 12 HB2 CYS 12 -7.663 1.225 -4.372 87 2HB CYS 12 HB1 CYS 12 -7.213 -0.408 -4.015 88 H VAL 13 HN VAL 13 -6.884 -1.587 -2.714 89 HA VAL 13 HA VAL 13 -5.071 -1.190 -0.569 90 HB VAL 13 HB VAL 13 -5.005 -3.599 -0.032 91 1HG1 VAL 13 HG11 VAL 13 -7.768 -2.404 0.594 92 2HG1 VAL 13 HG12 VAL 13 -6.281 -1.853 1.393 93 3HG1 VAL 13 HG13 VAL 13 -6.799 -3.561 1.589 94 1HG2 VAL 13 HG21 VAL 13 -7.654 -3.712 -1.641 95 2HG2 VAL 13 HG22 VAL 13 -7.046 -5.004 -0.542 96 3HG2 VAL 13 HG23 VAL 13 -6.106 -4.581 -2.004 97 H TYR 14 HN TYR 14 -3.123 -2.691 -1.398 98 HA TYR 14 HA TYR 14 -3.349 -2.990 -4.277 99 1HB TYR 14 HB2 TYR 14 -1.094 -2.074 -2.691 100 2HB TYR 14 HB1 TYR 14 -0.643 -3.669 -3.289 101 HD1 TYR 14 HD1 TYR 14 -2.165 -3.621 -6.036 102 HD2 TYR 14 HD2 TYR 14 0.447 -0.835 -4.034 103 HE1 TYR 14 HE1 TYR 14 -1.575 -2.642 -8.183 104 HE2 TYR 14 HE2 TYR 14 1.089 0.110 -6.208 105 HH TYR 14 HH TYR 14 -0.420 -1.021 -9.267 106 H HIS 15 HN HIS 15 -1.443 -5.345 -4.443 107 HA HIS 15 HA HIS 15 -2.676 -7.217 -2.665 108 1HB HIS 15 HB2 HIS 15 -2.622 -7.521 -5.744 109 2HB HIS 15 HB1 HIS 15 -3.027 -8.832 -4.578 110 HD1 HIS 15 HD1 HIS 15 -4.879 -7.199 -6.853 111 HD2 HIS 15 HD2 HIS 15 -5.183 -7.098 -2.667 112 HE1 HIS 15 HE1 HIS 15 -7.231 -6.445 -6.280 113 HE2 HIS 15 HE2 HIS 15 -7.363 -6.380 -3.752 114 H CYS 16 HN CYS 16 -1.055 -9.033 -2.629 115 HA CYS 16 HA CYS 16 1.587 -8.014 -3.283 116 1HB CYS 16 HB2 CYS 16 0.961 -7.618 -0.783 117 2HB CYS 16 HB1 CYS 16 0.607 -9.350 -0.647 118 H PHE 17 HN PHE 17 3.092 -9.995 -3.256 119 HA PHE 17 HA PHE 17 1.647 -12.488 -3.652 120 1HB PHE 17 HB2 PHE 17 4.458 -11.719 -4.697 121 2HB PHE 17 HB1 PHE 17 3.476 -13.167 -5.118 122 HD1 PHE 17 HD1 PHE 17 4.443 -9.909 -6.147 123 HD2 PHE 17 HD2 PHE 17 0.999 -12.484 -6.101 124 HE1 PHE 17 HE1 PHE 17 3.435 -8.601 -7.993 125 HE2 PHE 17 HE2 PHE 17 -0.005 -11.171 -7.929 126 HZ PHE 17 HZ PHE 17 1.211 -9.227 -8.883 127 HA PRO 18 HA PRO 18 3.711 -12.054 0.320 128 1HB PRO 18 HB2 PRO 18 3.314 -14.812 1.239 129 2HB PRO 18 HB1 PRO 18 2.363 -13.334 1.652 130 1HG PRO 18 HG1 PRO 18 1.870 -15.403 -0.522 131 2HG PRO 18 HG2 PRO 18 0.649 -14.517 0.486 132 1HD PRO 18 HD1 PRO 18 1.071 -13.769 -2.097 133 2HD PRO 18 HD2 PRO 18 0.959 -12.482 -0.829 134 H GLY 19 HN GLY 19 5.867 -11.907 0.545 135 1HA GLY 19 HA2 GLY 19 7.880 -13.574 0.519 136 2HA GLY 19 HA1 GLY 19 7.471 -13.401 -1.261 137 H SER 20 HN SER 20 6.296 -11.047 -1.361 138 HA SER 20 HA SER 20 6.140 -8.923 -0.593 139 1HB SER 20 HB2 SER 20 9.178 -8.619 -0.250 140 2HB SER 20 HB1 SER 20 7.880 -7.429 0.149 141 HG SER 20 HG SER 20 8.501 -9.920 1.310 142 H SER 21 HN SER 21 8.566 -10.501 -2.632 143 HA SER 21 HA SER 21 9.954 -8.711 -3.656 144 1HB SER 21 HB2 SER 21 8.815 -10.908 -5.457 145 2HB SER 21 HB1 SER 21 10.515 -10.306 -5.345 146 HG SER 21 HG SER 21 10.335 -12.217 -4.197 147 H GLY 22 HN GLY 22 6.840 -9.483 -5.326 148 1HA GLY 22 HA2 GLY 22 7.369 -7.571 -7.358 149 2HA GLY 22 HA1 GLY 22 5.816 -8.407 -7.006 150 H CYS 23 HN CYS 23 5.678 -7.381 -4.194 151 HA CYS 23 HA CYS 23 4.404 -4.918 -5.105 152 1HB CYS 23 HB2 CYS 23 3.278 -6.742 -3.566 153 2HB CYS 23 HB1 CYS 23 4.151 -5.906 -2.245 154 H ASP 24 HN ASP 24 7.071 -6.094 -3.102 155 HA ASP 24 HA ASP 24 7.767 -3.624 -1.978 156 1HB ASP 24 HB2 ASP 24 8.709 -5.901 -1.317 157 2HB ASP 24 HB1 ASP 24 9.670 -5.905 -2.836 158 H THR 25 HN THR 25 8.394 -5.106 -5.189 159 HA THR 25 HA THR 25 10.049 -3.024 -6.119 160 HB THR 25 HB THR 25 8.179 -4.808 -7.736 161 HG1 THR 25 HG1 THR 25 9.578 -6.098 -6.486 162 1HG2 THR 25 HG21 THR 25 9.904 -4.440 -9.552 163 2HG2 THR 25 HG22 THR 25 10.793 -3.303 -8.474 164 3HG2 THR 25 HG23 THR 25 9.137 -2.895 -9.057 165 H LEU 26 HN LEU 26 6.421 -3.511 -6.232 166 HA LEU 26 HA LEU 26 5.921 -1.171 -7.684 167 1HB LEU 26 HB2 LEU 26 4.170 -2.573 -5.583 168 2HB LEU 26 HB1 LEU 26 3.605 -1.234 -6.628 169 HG LEU 26 HG LEU 26 4.673 -3.890 -7.736 170 1HD1 LEU 26 HD11 LEU 26 2.594 -4.232 -6.356 171 2HD1 LEU 26 HD12 LEU 26 2.335 -4.546 -8.110 172 3HD1 LEU 26 HD13 LEU 26 1.746 -3.014 -7.366 173 1HD2 LEU 26 HD21 LEU 26 3.522 -3.129 -9.845 174 2HD2 LEU 26 HD22 LEU 26 4.869 -2.040 -9.367 175 3HD2 LEU 26 HD23 LEU 26 3.165 -1.541 -9.057 176 H CYS 27 HN CYS 27 6.188 -1.771 -4.193 177 HA CYS 27 HA CYS 27 5.619 0.723 -3.225 178 1HB CYS 27 HB2 CYS 27 6.156 -1.369 -1.865 179 2HB CYS 27 HB1 CYS 27 7.888 -1.079 -2.191 180 H LYS 28 HN LYS 28 8.745 -0.409 -4.665 181 HA LYS 28 HA LYS 28 10.138 1.944 -4.009 182 1HB LYS 28 HB2 LYS 28 10.632 -0.032 -6.309 183 2HB LYS 28 HB1 LYS 28 11.747 1.308 -5.881 184 1HG LYS 28 HG2 LYS 28 10.986 -0.985 -3.982 185 2HG LYS 28 HG1 LYS 28 12.464 -0.925 -4.992 186 1HD LYS 28 HD2 LYS 28 13.244 1.114 -3.821 187 2HD LYS 28 HD1 LYS 28 11.756 1.156 -2.817 188 1HE LYS 28 HE2 LYS 28 13.814 -1.153 -2.785 189 2HE LYS 28 HE1 LYS 28 13.733 0.204 -1.588 190 1HZ LYS 28 HZ1 LYS 28 11.582 -1.777 -2.130 191 2HZ LYS 28 HZ2 LYS 28 11.516 -0.500 -1.011 192 3HZ LYS 28 HZ3 LYS 28 12.639 -1.758 -0.801 193 H GLU 29 HN GLU 29 8.257 1.063 -6.976 194 HA GLU 29 HA GLU 29 9.074 3.456 -8.269 195 1HB GLU 29 HB2 GLU 29 7.501 2.998 -10.041 196 2HB GLU 29 HB1 GLU 29 8.428 1.523 -9.626 197 1HG GLU 29 HG2 GLU 29 6.484 0.622 -8.396 198 2HG GLU 29 HG1 GLU 29 5.532 2.121 -8.698 199 H LYS 30 HN LYS 30 6.361 2.687 -6.102 200 HA LYS 30 HA LYS 30 5.027 5.178 -6.672 201 1HB LYS 30 HB2 LYS 30 4.679 3.217 -4.324 202 2HB LYS 30 HB1 LYS 30 3.639 4.650 -4.628 203 1HG LYS 30 HG2 LYS 30 3.907 2.192 -6.473 204 2HG LYS 30 HG1 LYS 30 2.552 2.567 -5.360 205 1HD LYS 30 HD2 LYS 30 2.145 4.713 -6.720 206 2HD LYS 30 HD1 LYS 30 3.407 4.142 -7.868 207 1HE LYS 30 HE2 LYS 30 1.235 3.585 -8.801 208 2HE LYS 30 HE1 LYS 30 2.016 2.036 -8.288 209 1HZ LYS 30 HZ1 LYS 30 0.387 3.317 -6.274 210 2HZ LYS 30 HZ2 LYS 30 0.449 1.695 -6.782 211 3HZ LYS 30 HZ3 LYS 30 -0.458 2.827 -7.663 212 H GLY 31 HN GLY 31 7.678 4.157 -4.668 213 1HA GLY 31 HA2 GLY 31 9.232 5.745 -4.226 214 2HA GLY 31 HA1 GLY 31 7.958 6.989 -3.962 215 H GLY 32 HN GLY 32 7.931 3.655 -2.565 216 1HA GLY 32 HA2 GLY 32 8.483 4.856 0.077 217 2HA GLY 32 HA1 GLY 32 7.713 3.263 -0.306 218 H THR 33 HN THR 33 10.426 4.181 1.153 219 HA THR 33 HA THR 33 12.335 3.081 -0.732 220 HB THR 33 HB THR 33 13.925 4.050 1.065 221 HG1 THR 33 HG1 THR 33 12.950 5.447 2.473 222 1HG2 THR 33 HG21 THR 33 13.334 5.185 -1.130 223 2HG2 THR 33 HG22 THR 33 13.532 6.378 0.202 224 3HG2 THR 33 HG23 THR 33 11.881 5.919 -0.355 225 H SER 34 HN SER 34 10.258 1.700 1.516 226 HA SER 34 HA SER 34 11.724 -0.628 1.282 227 1HB SER 34 HB2 SER 34 11.317 0.469 4.161 228 2HB SER 34 HB1 SER 34 11.631 -1.268 3.772 229 HG SER 34 HG SER 34 13.356 0.675 2.711 230 H GLY 35 HN GLY 35 9.970 -2.404 2.231 231 1HA GLY 35 HA2 GLY 35 7.497 -1.465 2.841 232 2HA GLY 35 HA1 GLY 35 7.655 -1.806 1.037 233 H HIS 36 HN HIS 36 6.113 -3.750 2.129 234 HA HIS 36 HA HIS 36 7.563 -6.068 2.298 235 1HB HIS 36 HB2 HIS 36 6.330 -5.087 4.990 236 2HB HIS 36 HB1 HIS 36 6.936 -6.749 4.652 237 HD1 HIS 36 HD1 HIS 36 8.044 -3.433 5.826 238 HD2 HIS 36 HD2 HIS 36 9.853 -6.922 4.348 239 HE1 HIS 36 HE1 HIS 36 10.511 -3.295 6.382 240 HE2 HIS 36 HE2 HIS 36 11.566 -5.411 5.470 241 H CYS 37 HN CYS 37 5.071 -7.088 3.972 242 HA CYS 37 HA CYS 37 2.896 -5.737 2.866 243 1HB CYS 37 HB2 CYS 37 3.350 -8.753 2.282 244 2HB CYS 37 HB1 CYS 37 1.829 -7.847 1.977 245 H GLY 38 HN GLY 38 0.974 -6.926 4.224 246 1HA GLY 38 HA2 GLY 38 1.732 -8.715 6.161 247 2HA GLY 38 HA1 GLY 38 1.562 -6.995 6.802 248 H PHE 39 HN PHE 39 -0.701 -8.677 7.457 249 HA PHE 39 HA PHE 39 -2.668 -7.648 5.633 250 1HB PHE 39 HB2 PHE 39 -2.059 -10.007 4.722 251 2HB PHE 39 HB1 PHE 39 -2.343 -10.665 6.373 252 HD1 PHE 39 HD1 PHE 39 -4.334 -8.226 4.169 253 HD2 PHE 39 HD2 PHE 39 -4.225 -12.026 6.208 254 HE1 PHE 39 HE1 PHE 39 -6.646 -8.660 3.512 255 HE2 PHE 39 HE2 PHE 39 -6.552 -12.446 5.528 256 HZ PHE 39 HZ PHE 39 -7.770 -10.774 4.158 257 H LYS 40 HN LYS 40 -4.434 -7.139 7.009 258 HA LYS 40 HA LYS 40 -4.733 -8.437 9.498 259 1HB LYS 40 HB2 LYS 40 -2.963 -6.668 10.145 260 2HB LYS 40 HB1 LYS 40 -4.067 -5.407 9.505 261 1HG LYS 40 HG2 LYS 40 -4.162 -5.503 11.955 262 2HG LYS 40 HG1 LYS 40 -5.750 -5.980 11.269 263 1HD LYS 40 HD2 LYS 40 -5.239 -8.381 11.691 264 2HD LYS 40 HD1 LYS 40 -3.593 -7.946 12.286 265 1HE LYS 40 HE2 LYS 40 -4.598 -6.680 14.200 266 2HE LYS 40 HE1 LYS 40 -6.261 -7.028 13.575 267 1HZ LYS 40 HZ1 LYS 40 -4.267 -9.041 14.486 268 2HZ LYS 40 HZ2 LYS 40 -5.807 -9.376 13.860 269 3HZ LYS 40 HZ3 LYS 40 -5.653 -8.520 15.318 270 H VAL 41 HN VAL 41 -6.148 -8.801 7.502 271 HA VAL 41 HA VAL 41 -7.546 -8.393 5.966 272 HB VAL 41 HB VAL 41 -9.101 -6.484 7.614 273 1HG1 VAL 41 HG11 VAL 41 -9.869 -7.222 5.223 274 2HG1 VAL 41 HG12 VAL 41 -10.990 -7.784 6.510 275 3HG1 VAL 41 HG13 VAL 41 -9.795 -8.920 5.791 276 1HG2 VAL 41 HG21 VAL 41 -8.470 -8.177 9.270 277 2HG2 VAL 41 HG22 VAL 41 -8.795 -9.515 8.093 278 3HG2 VAL 41 HG23 VAL 41 -10.145 -8.512 8.737 279 H GLY 42 HN GLY 42 -8.896 -5.628 5.623 280 1HA GLY 42 HA2 GLY 42 -7.620 -3.563 4.952 281 2HA GLY 42 HA1 GLY 42 -6.811 -4.779 3.831 282 H HIS 43 HN HIS 43 -8.000 -4.831 1.939 283 HA HIS 43 HA HIS 43 -10.933 -5.017 2.158 284 1HB HIS 43 HB2 HIS 43 -9.249 -3.761 -0.093 285 2HB HIS 43 HB1 HIS 43 -11.015 -3.881 -0.095 286 HD1 HIS 43 HD1 HIS 43 -9.887 -1.190 -0.506 287 HD2 HIS 43 HD2 HIS 43 -10.532 -2.627 3.385 288 HE1 HIS 43 HE1 HIS 43 -9.955 0.818 1.041 289 HE2 HIS 43 HE2 HIS 43 -10.330 -0.091 3.370 290 H GLY 44 HN GLY 44 -8.268 -6.882 1.957 291 1HA GLY 44 HA2 GLY 44 -9.343 -8.970 0.719 292 2HA GLY 44 HA1 GLY 44 -8.606 -8.028 -0.647 293 H LEU 45 HN LEU 45 -6.349 -6.910 0.545 294 HA LEU 45 HA LEU 45 -4.728 -8.625 1.914 295 1HB LEU 45 HB2 LEU 45 -4.851 -10.009 -0.157 296 2HB LEU 45 HB1 LEU 45 -4.442 -8.581 -1.170 297 HG LEU 45 HG LEU 45 -2.130 -8.612 -0.280 298 1HD1 LEU 45 HD11 LEU 45 -1.319 -10.440 1.225 299 2HD1 LEU 45 HD12 LEU 45 -3.007 -11.008 1.469 300 3HD1 LEU 45 HD13 LEU 45 -2.497 -9.382 2.071 301 1HD2 LEU 45 HD21 LEU 45 -1.424 -10.817 -1.235 302 2HD2 LEU 45 HD22 LEU 45 -2.741 -10.080 -2.228 303 3HD2 LEU 45 HD23 LEU 45 -3.106 -11.432 -1.105 304 H ALA 46 HN ALA 46 -2.319 -7.052 1.155 305 HA ALA 46 HA ALA 46 -2.974 -4.649 0.032 306 1HB ALA 46 HB1 ALA 46 -2.763 -4.712 3.127 307 2HB ALA 46 HB2 ALA 46 -4.102 -3.989 2.168 308 3HB ALA 46 HB3 ALA 46 -2.481 -3.216 2.134 309 H CYS 47 HN CYS 47 -0.672 -3.317 0.675 310 HA CYS 47 HA CYS 47 1.311 -5.403 1.259 311 1HB CYS 47 HB2 CYS 47 1.851 -3.088 -0.674 312 2HB CYS 47 HB1 CYS 47 2.950 -4.434 -0.250 313 H TRP 48 HN TRP 48 3.483 -3.598 1.716 314 HA TRP 48 HA TRP 48 2.325 -1.551 3.456 315 1HB TRP 48 HB2 TRP 48 2.764 -3.450 4.985 316 2HB TRP 48 HB1 TRP 48 4.348 -3.742 4.190 317 HD1 TRP 48 HD1 TRP 48 6.390 -2.104 4.818 318 HE1 TRP 48 HE1 TRP 48 6.780 -0.342 6.574 319 HE3 TRP 48 HE3 TRP 48 1.670 -1.987 6.720 320 HZ2 TRP 48 HZ2 TRP 48 5.248 0.831 8.769 321 HZ3 TRP 48 HZ3 TRP 48 1.173 -0.541 8.655 322 HH2 TRP 48 HH2 TRP 48 2.948 0.859 9.668 323 H CYS 49 HN CYS 49 3.907 0.281 3.748 324 HA CYS 49 HA CYS 49 6.307 0.082 2.183 325 1HB CYS 49 HB2 CYS 49 4.104 2.132 1.626 326 2HB CYS 49 HB1 CYS 49 5.835 2.502 1.321 327 H ASN 50 HN ASN 50 7.821 1.729 2.884 328 HA ASN 50 HA ASN 50 6.961 3.229 5.279 329 1HB ASN 50 HB2 ASN 50 9.689 1.972 4.550 330 2HB ASN 50 HB1 ASN 50 9.574 3.370 5.668 331 1HD2 ASN 50 HD21 ASN 50 9.315 2.937 7.826 332 2HD2 ASN 50 HD22 ASN 50 8.813 1.422 8.490 333 H ALA 51 HN ALA 51 7.325 5.409 5.111 334 HA ALA 51 HA ALA 51 7.954 7.326 4.506 335 1HB ALA 51 HB1 ALA 51 10.297 6.573 4.805 336 2HB ALA 51 HB2 ALA 51 10.148 7.819 3.508 337 3HB ALA 51 HB3 ALA 51 10.339 6.083 3.067 338 H LEU 52 HN LEU 52 5.878 6.751 3.215 339 HA LEU 52 HA LEU 52 6.360 7.118 0.330 340 1HB LEU 52 HB2 LEU 52 3.800 6.697 1.960 341 2HB LEU 52 HB1 LEU 52 3.765 7.245 0.252 342 HG LEU 52 HG LEU 52 5.124 4.650 1.156 343 1HD1 LEU 52 HD11 LEU 52 3.083 3.517 0.180 344 2HD1 LEU 52 HD12 LEU 52 2.292 5.127 0.010 345 3HD1 LEU 52 HD13 LEU 52 2.718 4.490 1.647 346 1HD2 LEU 52 HD21 LEU 52 5.967 5.575 -1.019 347 2HD2 LEU 52 HD22 LEU 52 4.308 5.646 -1.666 348 3HD2 LEU 52 HD23 LEU 52 5.052 4.056 -1.270 349 HA PRO 53 HA PRO 53 5.849 11.419 1.491 350 1HB PRO 53 HB2 PRO 53 5.509 11.915 -1.498 351 2HB PRO 53 HB1 PRO 53 6.650 12.723 -0.361 352 1HG PRO 53 HG1 PRO 53 7.519 10.844 -2.166 353 2HG PRO 53 HG2 PRO 53 8.186 10.868 -0.479 354 1HD PRO 53 HD1 PRO 53 5.981 9.032 -1.587 355 2HD PRO 53 HD2 PRO 53 7.409 8.639 -0.543 356 H ASP 54 HN ASP 54 4.262 13.299 0.897 357 HA ASP 54 HA ASP 54 1.694 12.149 1.275 358 1HB ASP 54 HB2 ASP 54 2.465 15.095 0.964 359 2HB ASP 54 HB1 ASP 54 0.971 14.438 1.750 360 H ASN 55 HN ASN 55 3.012 12.136 -1.633 361 HA ASN 55 HA ASN 55 0.711 13.371 -2.988 362 1HB ASN 55 HB2 ASN 55 1.850 13.092 -5.090 363 2HB ASN 55 HB1 ASN 55 2.977 13.919 -3.965 364 1HD2 ASN 55 HD22 ASN 55 2.829 11.460 -6.292 365 2HD2 ASN 55 HD21 ASN 55 4.171 10.488 -5.764 366 H VAL 56 HN VAL 56 1.612 10.550 -1.443 367 HA VAL 56 HA VAL 56 0.431 8.780 -3.443 368 HB VAL 56 HB VAL 56 1.810 7.876 -0.871 369 1HG1 VAL 56 HG11 VAL 56 0.627 6.115 -2.233 370 2HG1 VAL 56 HG12 VAL 56 2.389 5.909 -2.372 371 3HG1 VAL 56 HG13 VAL 56 1.489 6.672 -3.717 372 1HG2 VAL 56 HG21 VAL 56 3.424 9.486 -1.892 373 2HG2 VAL 56 HG22 VAL 56 3.186 8.748 -3.504 374 3HG2 VAL 56 HG23 VAL 56 3.971 7.824 -2.171 375 H GLY 57 HN GLY 57 -0.988 6.892 -1.957 376 1HA GLY 57 HA2 GLY 57 -2.564 8.213 -0.004 377 2HA GLY 57 HA1 GLY 57 -3.342 7.734 -1.600 378 H ILE 58 HN ILE 58 -3.910 6.148 0.868 379 HA ILE 58 HA ILE 58 -2.570 3.724 0.354 380 HB ILE 58 HB ILE 58 -1.818 3.522 2.787 381 1HG1 ILE 58 HG12 ILE 58 -1.995 6.604 2.766 382 2HG1 ILE 58 HG11 ILE 58 -3.101 5.507 3.665 383 1HG2 ILE 58 HG21 ILE 58 0.392 4.376 2.353 384 2HG2 ILE 58 HG22 ILE 58 -0.221 5.633 1.217 385 3HG2 ILE 58 HG23 ILE 58 -0.290 3.898 0.761 386 1HD1 ILE 58 HD11 ILE 58 -0.043 5.701 4.092 387 2HD1 ILE 58 HD12 ILE 58 -1.167 4.564 4.930 388 3HD1 ILE 58 HD13 ILE 58 -1.336 6.344 5.177 389 H ILE 59 HN ILE 59 -3.486 2.562 2.860 390 HA ILE 59 HA ILE 59 -6.117 2.317 1.991 391 HB ILE 59 HB ILE 59 -5.460 1.390 4.798 392 1HG1 ILE 59 HG12 ILE 59 -3.375 0.847 3.680 393 2HG1 ILE 59 HG11 ILE 59 -4.340 -0.566 4.169 394 1HG2 ILE 59 HG21 ILE 59 -6.982 0.201 2.371 395 2HG2 ILE 59 HG22 ILE 59 -7.711 0.932 3.840 396 3HG2 ILE 59 HG23 ILE 59 -6.787 -0.603 3.975 397 1HD1 ILE 59 HD11 ILE 59 -4.162 -1.435 2.098 398 2HD1 ILE 59 HD12 ILE 59 -3.248 0.014 1.574 399 3HD1 ILE 59 HD13 ILE 59 -5.041 -0.019 1.405 400 H VAL 60 HN VAL 60 -7.971 3.251 2.634 401 HA VAL 60 HA VAL 60 -8.125 4.500 5.298 402 HB VAL 60 HB VAL 60 -9.388 5.239 2.610 403 1HG1 VAL 60 HG11 VAL 60 -11.309 5.010 4.096 404 2HG1 VAL 60 HG12 VAL 60 -10.959 6.750 3.831 405 3HG1 VAL 60 HG13 VAL 60 -10.481 5.972 5.392 406 1HG2 VAL 60 HG21 VAL 60 -7.969 6.905 4.787 407 2HG2 VAL 60 HG22 VAL 60 -8.618 7.527 3.226 408 3HG2 VAL 60 HG23 VAL 60 -7.252 6.353 3.231 409 H GLU 61 HN GLU 61 -9.478 3.159 6.556 410 HA GLU 61 HA GLU 61 -10.378 0.799 5.126 411 1HB GLU 61 HB2 GLU 61 -8.909 0.616 7.137 412 2HB GLU 61 HB1 GLU 61 -10.228 1.303 8.147 413 1HG GLU 61 HG2 GLU 61 -10.132 -1.161 8.355 414 2HG GLU 61 HG1 GLU 61 -11.682 -0.671 7.586 415 H GLY 62 HN GLY 62 -11.790 3.330 7.274 416 1HA GLY 62 HA2 GLY 62 -14.273 1.926 7.472 417 2HA GLY 62 HA1 GLY 62 -13.828 3.558 8.104 418 H GLU 63 HN GLU 63 -14.201 1.928 4.966 419 HA GLU 63 HA GLU 63 -16.218 3.732 4.023 420 1HB GLU 63 HB2 GLU 63 -14.205 5.172 3.657 421 2HB GLU 63 HB1 GLU 63 -13.330 3.816 2.887 422 1HG GLU 63 HG2 GLU 63 -14.924 3.859 0.951 423 2HG GLU 63 HG1 GLU 63 -15.892 5.148 1.769 424 H LYS 64 HN LYS 64 -13.426 1.801 2.844 425 HA LYS 64 HA LYS 64 -13.608 -0.477 2.313 426 1HB LYS 64 HB2 LYS 64 -16.155 -0.506 1.740 427 2HB LYS 64 HB1 LYS 64 -15.713 0.328 0.229 428 1HG LYS 64 HG2 LYS 64 -15.970 -2.067 -0.167 429 2HG LYS 64 HG1 LYS 64 -14.216 -1.727 -0.314 430 1HD LYS 64 HD2 LYS 64 -13.864 -2.598 2.029 431 2HD LYS 64 HD1 LYS 64 -15.631 -2.912 2.153 432 1HE LYS 64 HE2 LYS 64 -15.466 -4.548 0.237 433 2HE LYS 64 HE1 LYS 64 -13.686 -4.233 0.133 434 1HZ LYS 64 HZ1 LYS 64 -14.124 -6.193 1.376 435 2HZ LYS 64 HZ2 LYS 64 -15.169 -5.381 2.441 436 3HZ LYS 64 HZ3 LYS 64 -13.512 -5.011 2.430 437 H CYS 65 HN CYS 65 -13.957 0.159 -0.759 438 HA CYS 65 HA CYS 65 -11.480 1.760 -0.942 439 1HB CYS 65 HB2 CYS 65 -11.272 -0.429 -2.087 440 2HB CYS 65 HB1 CYS 65 -12.796 -0.142 -2.971 441 H HIS 66 HN HIS 66 -11.480 3.629 -2.433 442 HA HIS 66 HA HIS 66 -13.923 4.361 -3.709 443 1HB HIS 66 HB2 HIS 66 -14.021 6.109 -1.951 444 2HB HIS 66 HB1 HIS 66 -12.271 5.915 -1.615 445 HD1 HIS 66 HD1 HIS 66 -10.949 7.823 -2.228 446 HD2 HIS 66 HD2 HIS 66 -14.211 7.439 -4.845 447 HE1 HIS 66 HE1 HIS 66 -10.806 9.725 -3.886 448 HE2 HIS 66 HE2 HIS 66 -12.791 9.469 -5.443 449 H SER 67 HN SER 67 -12.934 4.567 -5.909 450 HA SER 67 HA SER 67 -10.126 3.941 -5.911 451 1HB SER 67 HB2 SER 67 -10.746 4.023 -8.513 452 2HB SER 67 HB1 SER 67 -11.308 2.654 -7.484 453 HG SER 67 HG SER 67 -12.999 3.530 -8.712 454 1HN NH2 68 H1 NH2 68 -12.186 6.292 -7.687 455 2HN NH2 68 H2 NH2 68 -11.092 7.653 -7.562 Start of MODEL 22 1 1H VAL 1 HT1 VAL 1 6.770 12.408 6.119 2 2H VAL 1 HT2 VAL 1 5.389 13.024 5.347 3 3H VAL 1 HT3 VAL 1 6.877 12.976 4.520 4 HA VAL 1 HA VAL 1 5.423 11.275 3.778 5 HB VAL 1 HB VAL 1 6.912 9.268 4.173 6 1HG1 VAL 1 HG11 VAL 1 8.336 11.941 3.538 7 2HG1 VAL 1 HG12 VAL 1 7.464 10.862 2.383 8 3HG1 VAL 1 HG13 VAL 1 8.969 10.299 3.173 9 1HG2 VAL 1 HG21 VAL 1 8.926 9.498 5.603 10 2HG2 VAL 1 HG22 VAL 1 7.447 9.706 6.602 11 3HG2 VAL 1 HG23 VAL 1 8.420 11.144 6.126 12 H ARG 2 HN ARG 2 4.565 8.998 4.266 13 HA ARG 2 HA ARG 2 3.589 8.793 7.045 14 1HB ARG 2 HB2 ARG 2 1.631 7.504 6.234 15 2HB ARG 2 HB1 ARG 2 1.578 9.182 5.648 16 1HG ARG 2 HG2 ARG 2 2.891 7.182 3.795 17 2HG ARG 2 HG1 ARG 2 1.155 6.905 4.098 18 1HD ARG 2 HD2 ARG 2 2.186 9.679 3.175 19 2HD ARG 2 HD1 ARG 2 1.877 8.320 2.034 20 HE ARG 2 HE ARG 2 -0.444 8.363 2.467 21 1HH1 ARG 2 HH21 ARG 2 1.233 10.932 4.324 22 2HH1 ARG 2 HH22 ARG 2 -0.222 11.821 4.634 23 1HH2 ARG 2 HH11 ARG 2 -2.357 9.583 2.886 24 2HH2 ARG 2 HH12 ARG 2 -2.286 11.027 3.834 25 H ASP 3 HN ASP 3 3.089 6.259 7.481 26 HA ASP 3 HA ASP 3 4.674 4.540 5.809 27 1HB ASP 3 HB2 ASP 3 4.602 4.330 8.920 28 2HB ASP 3 HB1 ASP 3 5.454 3.226 7.783 29 H GLY 4 HN GLY 4 3.081 2.720 5.471 30 1HA GLY 4 HA2 GLY 4 1.079 2.412 7.412 31 2HA GLY 4 HA1 GLY 4 0.488 3.242 5.898 32 H TYR 5 HN TYR 5 -0.657 0.836 6.162 33 HA TYR 5 HA TYR 5 0.818 -1.053 4.563 34 1HB TYR 5 HB2 TYR 5 -2.167 -0.766 5.315 35 2HB TYR 5 HB1 TYR 5 -1.605 -1.983 4.113 36 HD1 TYR 5 HD1 TYR 5 -2.573 -1.659 7.400 37 HD2 TYR 5 HD2 TYR 5 0.615 -3.357 5.067 38 HE1 TYR 5 HE1 TYR 5 -2.065 -3.209 9.233 39 HE2 TYR 5 HE2 TYR 5 1.174 -4.865 6.923 40 HH TYR 5 HH TYR 5 -0.716 -4.886 9.981 41 H ILE 6 HN ILE 6 0.633 -1.053 2.225 42 HA ILE 6 HA ILE 6 -0.161 1.605 1.290 43 HB ILE 6 HB ILE 6 2.148 1.056 0.771 44 1HG1 ILE 6 HG12 ILE 6 0.229 1.373 -1.620 45 2HG1 ILE 6 HG11 ILE 6 0.923 2.660 -0.582 46 1HG2 ILE 6 HG21 ILE 6 0.966 -1.247 -0.907 47 2HG2 ILE 6 HG22 ILE 6 2.022 -1.365 0.555 48 3HG2 ILE 6 HG23 ILE 6 2.671 -0.678 -0.960 49 1HD1 ILE 6 HD11 ILE 6 2.367 0.871 -2.632 50 2HD1 ILE 6 HD12 ILE 6 3.261 1.901 -1.450 51 3HD1 ILE 6 HD13 ILE 6 2.150 2.659 -2.647 52 H ALA 7 HN ALA 7 -1.681 1.855 -0.139 53 HA ALA 7 HA ALA 7 -3.475 -0.340 -0.699 54 1HB ALA 7 HB1 ALA 7 -3.925 2.699 -1.017 55 2HB ALA 7 HB2 ALA 7 -4.527 1.700 0.360 56 3HB ALA 7 HB3 ALA 7 -5.174 1.420 -1.269 57 H GLN 8 HN GLN 8 -4.579 1.563 -2.943 58 HA GLN 8 HA GLN 8 -2.387 1.714 -4.737 59 1HB GLN 8 HB2 GLN 8 -5.233 0.704 -5.506 60 2HB GLN 8 HB1 GLN 8 -3.899 1.070 -6.660 61 1HG GLN 8 HG2 GLN 8 -2.583 -0.830 -5.754 62 2HG GLN 8 HG1 GLN 8 -3.844 -1.156 -4.517 63 1HE2 GLN 8 HE22 GLN 8 -5.431 -2.635 -5.086 64 2HE2 GLN 8 HE21 GLN 8 -5.880 -3.040 -6.728 65 HA PRO 9 HA PRO 9 -4.846 5.358 -3.966 66 1HB PRO 9 HB2 PRO 9 -4.155 6.243 -6.829 67 2HB PRO 9 HB1 PRO 9 -4.033 7.221 -5.307 68 1HG PRO 9 HG1 PRO 9 -1.779 6.135 -6.418 69 2HG PRO 9 HG2 PRO 9 -2.029 6.008 -4.626 70 1HD PRO 9 HD1 PRO 9 -2.587 3.855 -6.744 71 2HD PRO 9 HD2 PRO 9 -1.765 3.712 -5.121 72 H GLU 10 HN GLU 10 -8.022 5.175 -5.751 73 HA GLU 10 HA GLU 10 -6.424 7.041 -4.243 74 1HB GLU 10 HB2 GLU 10 -9.446 6.679 -4.353 75 2HB GLU 10 HB1 GLU 10 -8.593 7.944 -3.408 76 1HG GLU 10 HG2 GLU 10 -7.541 8.840 -5.491 77 2HG GLU 10 HG1 GLU 10 -8.406 7.597 -6.476 78 H ASN 11 HN ASN 11 -8.455 4.102 -3.355 79 HA ASN 11 HA ASN 11 -7.035 3.865 -0.992 80 1HB ASN 11 HB2 ASN 11 -8.978 5.389 -0.165 81 2HB ASN 11 HB1 ASN 11 -10.134 4.250 -0.945 82 1HD2 ASN 11 HD21 ASN 11 -11.140 3.696 1.124 83 2HD2 ASN 11 HD22 ASN 11 -10.261 2.992 2.464 84 H CYS 12 HN CYS 12 -7.420 1.587 -0.649 85 HA CYS 12 HA CYS 12 -9.078 -0.170 -1.602 86 1HB CYS 12 HB2 CYS 12 -7.607 0.759 -3.968 87 2HB CYS 12 HB1 CYS 12 -6.970 -0.810 -3.572 88 H VAL 13 HN VAL 13 -6.847 -2.183 -2.146 89 HA VAL 13 HA VAL 13 -4.933 -1.496 -0.120 90 HB VAL 13 HB VAL 13 -4.599 -4.029 0.197 91 1HG1 VAL 13 HG11 VAL 13 -6.857 -2.478 1.592 92 2HG1 VAL 13 HG12 VAL 13 -5.141 -2.650 2.096 93 3HG1 VAL 13 HG13 VAL 13 -6.217 -4.077 2.153 94 1HG2 VAL 13 HG21 VAL 13 -7.597 -4.073 -0.564 95 2HG2 VAL 13 HG22 VAL 13 -6.619 -5.430 0.122 96 3HG2 VAL 13 HG23 VAL 13 -6.240 -4.802 -1.516 97 H TYR 14 HN TYR 14 -2.848 -2.529 -0.985 98 HA TYR 14 HA TYR 14 -2.996 -3.059 -3.817 99 1HB TYR 14 HB2 TYR 14 -0.869 -2.075 -2.123 100 2HB TYR 14 HB1 TYR 14 -0.324 -3.652 -2.625 101 HD1 TYR 14 HD1 TYR 14 -1.578 -3.782 -5.485 102 HD2 TYR 14 HD2 TYR 14 0.669 -0.759 -3.396 103 HE1 TYR 14 HE1 TYR 14 -0.893 -2.823 -7.621 104 HE2 TYR 14 HE2 TYR 14 1.379 0.194 -5.548 105 HH TYR 14 HH TYR 14 0.332 -1.210 -8.677 106 H HIS 15 HN HIS 15 -0.936 -5.301 -3.707 107 HA HIS 15 HA HIS 15 -1.908 -7.001 -1.662 108 1HB HIS 15 HB2 HIS 15 -2.039 -7.857 -4.634 109 2HB HIS 15 HB1 HIS 15 -1.707 -9.018 -3.303 110 HD1 HIS 15 HD1 HIS 15 -4.525 -6.629 -4.304 111 HD2 HIS 15 HD2 HIS 15 -3.851 -10.068 -1.996 112 HE1 HIS 15 HE1 HIS 15 -6.783 -7.473 -3.514 113 HE2 HIS 15 HE2 HIS 15 -6.323 -9.566 -2.157 114 H CYS 16 HN CYS 16 -0.054 -8.768 -1.793 115 HA CYS 16 HA CYS 16 2.429 -7.411 -2.427 116 1HB CYS 16 HB2 CYS 16 1.780 -7.495 0.140 117 2HB CYS 16 HB1 CYS 16 1.781 -9.265 -0.014 118 H PHE 17 HN PHE 17 4.040 -9.496 -2.458 119 HA PHE 17 HA PHE 17 2.612 -11.800 -3.537 120 1HB PHE 17 HB2 PHE 17 5.374 -10.565 -4.270 121 2HB PHE 17 HB1 PHE 17 4.843 -12.213 -4.754 122 HD1 PHE 17 HD1 PHE 17 3.325 -12.528 -6.588 123 HD2 PHE 17 HD2 PHE 17 4.105 -8.544 -5.154 124 HE1 PHE 17 HE1 PHE 17 2.298 -11.584 -8.627 125 HE2 PHE 17 HE2 PHE 17 3.055 -7.611 -7.181 126 HZ PHE 17 HZ PHE 17 2.174 -9.125 -8.938 127 HA PRO 18 HA PRO 18 4.864 -12.775 0.300 128 1HB PRO 18 HB2 PRO 18 4.233 -15.619 -0.701 129 2HB PRO 18 HB1 PRO 18 4.173 -15.017 1.003 130 1HG PRO 18 HG1 PRO 18 1.868 -15.232 -0.461 131 2HG PRO 18 HG2 PRO 18 2.145 -13.749 0.551 132 1HD PRO 18 HD1 PRO 18 2.424 -14.048 -2.478 133 2HD PRO 18 HD2 PRO 18 1.873 -12.639 -1.476 134 H GLY 19 HN GLY 19 6.523 -12.279 -2.092 135 1HA GLY 19 HA2 GLY 19 8.820 -13.733 -1.369 136 2HA GLY 19 HA1 GLY 19 8.201 -14.013 -3.084 137 H SER 20 HN SER 20 10.503 -12.064 -1.952 138 HA SER 20 HA SER 20 9.465 -9.746 -1.299 139 1HB SER 20 HB2 SER 20 12.201 -9.979 -2.663 140 2HB SER 20 HB1 SER 20 11.756 -9.128 -1.138 141 HG SER 20 HG SER 20 12.867 -11.081 -0.742 142 H SER 21 HN SER 21 10.454 -10.796 -4.586 143 HA SER 21 HA SER 21 11.260 -8.651 -5.704 144 1HB SER 21 HB2 SER 21 9.532 -10.526 -7.372 145 2HB SER 21 HB1 SER 21 11.212 -9.932 -7.653 146 HG SER 21 HG SER 21 11.138 -12.127 -7.010 147 H GLY 22 HN GLY 22 7.756 -9.551 -5.819 148 1HA GLY 22 HA2 GLY 22 7.232 -7.627 -7.789 149 2HA GLY 22 HA1 GLY 22 6.036 -8.495 -6.757 150 H CYS 23 HN CYS 23 6.595 -7.554 -4.224 151 HA CYS 23 HA CYS 23 5.384 -4.969 -4.559 152 1HB CYS 23 HB2 CYS 23 4.541 -6.569 -2.763 153 2HB CYS 23 HB1 CYS 23 6.028 -6.180 -1.839 154 H ASP 24 HN ASP 24 8.626 -6.210 -4.031 155 HA ASP 24 HA ASP 24 9.756 -3.942 -2.869 156 1HB ASP 24 HB2 ASP 24 10.941 -6.154 -3.207 157 2HB ASP 24 HB1 ASP 24 10.996 -5.836 -4.970 158 H THR 25 HN THR 25 9.319 -4.806 -6.419 159 HA THR 25 HA THR 25 10.085 -2.259 -7.248 160 HB THR 25 HB THR 25 8.668 -3.024 -9.350 161 HG1 THR 25 HG1 THR 25 7.711 -4.828 -8.081 162 1HG2 THR 25 HG21 THR 25 10.715 -4.442 -9.955 163 2HG2 THR 25 HG22 THR 25 11.228 -4.377 -8.225 164 3HG2 THR 25 HG23 THR 25 11.147 -2.863 -9.202 165 H LEU 26 HN LEU 26 6.793 -3.483 -6.318 166 HA LEU 26 HA LEU 26 5.451 -1.247 -7.347 167 1HB LEU 26 HB2 LEU 26 4.699 -3.047 -4.977 168 2HB LEU 26 HB1 LEU 26 3.613 -1.832 -5.692 169 HG LEU 26 HG LEU 26 4.756 -4.227 -7.239 170 1HD1 LEU 26 HD11 LEU 26 1.953 -3.836 -6.001 171 2HD1 LEU 26 HD12 LEU 26 3.226 -4.947 -5.393 172 3HD1 LEU 26 HD13 LEU 26 2.503 -5.225 -7.018 173 1HD2 LEU 26 HD21 LEU 26 4.252 -2.389 -8.774 174 2HD2 LEU 26 HD22 LEU 26 2.645 -2.127 -8.005 175 3HD2 LEU 26 HD23 LEU 26 2.975 -3.643 -8.924 176 H CYS 27 HN CYS 27 6.880 -1.932 -4.143 177 HA CYS 27 HA CYS 27 5.953 0.412 -2.974 178 1HB CYS 27 HB2 CYS 27 6.998 -1.638 -1.800 179 2HB CYS 27 HB1 CYS 27 8.598 -0.965 -2.213 180 H LYS 28 HN LYS 28 9.038 -0.241 -4.764 181 HA LYS 28 HA LYS 28 10.101 2.309 -4.272 182 1HB LYS 28 HB2 LYS 28 10.654 0.365 -6.586 183 2HB LYS 28 HB1 LYS 28 11.579 1.879 -6.278 184 1HG LYS 28 HG2 LYS 28 12.163 1.029 -3.972 185 2HG LYS 28 HG1 LYS 28 11.400 -0.539 -4.384 186 1HD LYS 28 HD2 LYS 28 12.990 -0.688 -6.400 187 2HD LYS 28 HD1 LYS 28 13.835 0.765 -5.760 188 1HE LYS 28 HE2 LYS 28 13.544 -2.000 -4.394 189 2HE LYS 28 HE1 LYS 28 15.055 -1.265 -5.070 190 1HZ LYS 28 HZ1 LYS 28 14.862 0.474 -3.392 191 2HZ LYS 28 HZ2 LYS 28 14.979 -1.077 -2.707 192 3HZ LYS 28 HZ3 LYS 28 13.481 -0.280 -2.744 193 H GLU 29 HN GLU 29 8.026 1.097 -7.002 194 HA GLU 29 HA GLU 29 8.415 3.457 -8.480 195 1HB GLU 29 HB2 GLU 29 6.718 2.739 -10.001 196 2HB GLU 29 HB1 GLU 29 7.668 1.303 -9.492 197 1HG GLU 29 HG2 GLU 29 5.803 0.791 -7.812 198 2HG GLU 29 HG1 GLU 29 4.827 2.109 -8.553 199 H LYS 30 HN LYS 30 6.426 2.864 -5.709 200 HA LYS 30 HA LYS 30 4.755 5.203 -6.254 201 1HB LYS 30 HB2 LYS 30 4.813 3.114 -4.005 202 2HB LYS 30 HB1 LYS 30 3.729 4.548 -3.971 203 1HG LYS 30 HG2 LYS 30 3.701 2.464 -6.237 204 2HG LYS 30 HG1 LYS 30 2.675 2.370 -4.771 205 1HD LYS 30 HD2 LYS 30 1.684 4.612 -5.291 206 2HD LYS 30 HD1 LYS 30 2.613 4.676 -6.826 207 1HE LYS 30 HE2 LYS 30 0.499 2.536 -6.061 208 2HE LYS 30 HE1 LYS 30 0.251 3.923 -7.201 209 1HZ LYS 30 HZ1 LYS 30 1.953 3.009 -8.611 210 2HZ LYS 30 HZ2 LYS 30 0.733 1.857 -8.328 211 3HZ LYS 30 HZ3 LYS 30 2.225 1.726 -7.532 212 H GLY 31 HN GLY 31 7.852 4.564 -5.035 213 1HA GLY 31 HA2 GLY 31 9.272 6.012 -4.158 214 2HA GLY 31 HA1 GLY 31 7.926 7.181 -3.849 215 H GLY 32 HN GLY 32 7.945 3.764 -2.766 216 1HA GLY 32 HA2 GLY 32 8.240 4.697 0.007 217 2HA GLY 32 HA1 GLY 32 7.501 3.157 -0.626 218 H THR 33 HN THR 33 9.828 3.500 1.261 219 HA THR 33 HA THR 33 12.165 3.290 -0.339 220 HB THR 33 HB THR 33 13.300 2.751 1.882 221 HG1 THR 33 HG1 THR 33 10.668 3.339 2.886 222 1HG2 THR 33 HG21 THR 33 13.219 5.024 0.931 223 2HG2 THR 33 HG22 THR 33 12.910 5.133 2.695 224 3HG2 THR 33 HG23 THR 33 11.546 5.284 1.524 225 H SER 34 HN SER 34 10.436 0.840 1.740 226 HA SER 34 HA SER 34 10.535 -1.004 -0.265 227 1HB SER 34 HB2 SER 34 12.385 -1.560 2.164 228 2HB SER 34 HB1 SER 34 11.737 -2.861 1.090 229 HG SER 34 HG SER 34 12.948 -0.650 -0.110 230 H GLY 35 HN GLY 35 9.521 -3.169 1.381 231 1HA GLY 35 HA2 GLY 35 7.923 -2.178 3.375 232 2HA GLY 35 HA1 GLY 35 7.112 -2.245 1.723 233 H HIS 36 HN HIS 36 6.098 -4.243 3.292 234 HA HIS 36 HA HIS 36 7.428 -6.640 2.509 235 1HB HIS 36 HB2 HIS 36 7.129 -7.507 4.958 236 2HB HIS 36 HB1 HIS 36 8.497 -6.385 4.710 237 HD1 HIS 36 HD1 HIS 36 4.866 -6.130 5.967 238 HD2 HIS 36 HD2 HIS 36 8.605 -4.275 6.423 239 HE1 HIS 36 HE1 HIS 36 4.637 -4.402 7.806 240 HE2 HIS 36 HE2 HIS 36 6.912 -3.314 8.054 241 H CYS 37 HN CYS 37 5.552 -8.359 3.564 242 HA CYS 37 HA CYS 37 3.186 -7.279 2.310 243 1HB CYS 37 HB2 CYS 37 3.610 -10.068 3.539 244 2HB CYS 37 HB1 CYS 37 2.245 -9.556 2.498 245 H GLY 38 HN GLY 38 0.901 -7.991 3.441 246 1HA GLY 38 HA2 GLY 38 0.875 -7.857 6.209 247 2HA GLY 38 HA1 GLY 38 0.688 -6.233 5.383 248 H PHE 39 HN PHE 39 -1.721 -6.831 6.511 249 HA PHE 39 HA PHE 39 -3.317 -7.673 4.331 250 1HB PHE 39 HB2 PHE 39 -2.768 -9.808 5.871 251 2HB PHE 39 HB1 PHE 39 -3.656 -8.946 7.168 252 HD1 PHE 39 HD1 PHE 39 -3.867 -11.036 4.227 253 HD2 PHE 39 HD2 PHE 39 -6.158 -8.410 6.733 254 HE1 PHE 39 HE1 PHE 39 -5.945 -12.078 3.414 255 HE2 PHE 39 HE2 PHE 39 -8.245 -9.431 5.893 256 HZ PHE 39 HZ PHE 39 -8.147 -11.287 4.253 257 H LYS 40 HN LYS 40 -5.411 -6.527 4.834 258 HA LYS 40 HA LYS 40 -5.357 -5.025 7.344 259 1HB LYS 40 HB2 LYS 40 -4.539 -3.532 5.401 260 2HB LYS 40 HB1 LYS 40 -6.155 -3.733 4.663 261 1HG LYS 40 HG2 LYS 40 -5.485 -2.490 7.431 262 2HG LYS 40 HG1 LYS 40 -5.804 -1.593 5.916 263 1HD LYS 40 HD2 LYS 40 -8.154 -2.733 5.899 264 2HD LYS 40 HD1 LYS 40 -7.820 -3.163 7.612 265 1HE LYS 40 HE2 LYS 40 -8.017 -0.346 6.357 266 2HE LYS 40 HE1 LYS 40 -9.095 -1.085 7.610 267 1HZ LYS 40 HZ1 LYS 40 -7.303 -1.017 9.163 268 2HZ LYS 40 HZ2 LYS 40 -7.484 0.523 8.467 269 3HZ LYS 40 HZ3 LYS 40 -6.209 -0.486 7.978 270 H VAL 41 HN VAL 41 -7.086 -6.083 8.301 271 HA VAL 41 HA VAL 41 -8.983 -7.417 6.676 272 HB VAL 41 HB VAL 41 -9.442 -6.887 9.641 273 1HG1 VAL 41 HG11 VAL 41 -10.430 -9.196 9.463 274 2HG1 VAL 41 HG12 VAL 41 -9.967 -9.281 7.732 275 3HG1 VAL 41 HG13 VAL 41 -11.200 -8.079 8.279 276 1HG2 VAL 41 HG21 VAL 41 -7.054 -7.556 9.577 277 2HG2 VAL 41 HG22 VAL 41 -7.443 -8.940 8.470 278 3HG2 VAL 41 HG23 VAL 41 -8.063 -8.915 10.153 279 H GLY 42 HN GLY 42 -10.825 -6.506 5.842 280 1HA GLY 42 HA2 GLY 42 -12.581 -4.776 6.448 281 2HA GLY 42 HA1 GLY 42 -11.130 -3.672 6.391 282 H HIS 43 HN HIS 43 -9.552 -5.159 4.526 283 HA HIS 43 HA HIS 43 -11.278 -5.152 2.126 284 1HB HIS 43 HB2 HIS 43 -8.428 -4.070 2.384 285 2HB HIS 43 HB1 HIS 43 -9.258 -4.397 0.824 286 HD1 HIS 43 HD1 HIS 43 -8.420 -1.702 0.853 287 HD2 HIS 43 HD2 HIS 43 -11.972 -2.691 2.862 288 HE1 HIS 43 HE1 HIS 43 -9.758 0.424 1.100 289 HE2 HIS 43 HE2 HIS 43 -11.888 -0.219 2.334 290 H GLY 44 HN GLY 44 -7.849 -6.224 3.195 291 1HA GLY 44 HA2 GLY 44 -8.251 -8.855 2.787 292 2HA GLY 44 HA1 GLY 44 -8.027 -8.134 1.130 293 H LEU 45 HN LEU 45 -6.019 -9.279 0.982 294 HA LEU 45 HA LEU 45 -3.873 -8.855 2.775 295 1HB LEU 45 HB2 LEU 45 -4.367 -10.869 1.256 296 2HB LEU 45 HB1 LEU 45 -3.763 -9.899 -0.118 297 HG LEU 45 HG LEU 45 -2.051 -10.407 2.386 298 1HD1 LEU 45 HD11 LEU 45 -2.955 -12.633 1.670 299 2HD1 LEU 45 HD12 LEU 45 -1.184 -12.508 1.387 300 3HD1 LEU 45 HD13 LEU 45 -2.327 -12.352 0.004 301 1HD2 LEU 45 HD21 LEU 45 -1.069 -8.827 0.704 302 2HD2 LEU 45 HD22 LEU 45 -1.272 -10.067 -0.595 303 3HD2 LEU 45 HD23 LEU 45 -0.139 -10.363 0.766 304 H ALA 46 HN ALA 46 -2.002 -7.322 2.364 305 HA ALA 46 HA ALA 46 -2.717 -5.215 0.464 306 1HB ALA 46 HB1 ALA 46 -3.734 -4.570 2.734 307 2HB ALA 46 HB2 ALA 46 -2.385 -3.482 2.253 308 3HB ALA 46 HB3 ALA 46 -2.106 -4.786 3.478 309 H CYS 47 HN CYS 47 -0.469 -3.487 1.098 310 HA CYS 47 HA CYS 47 1.654 -5.428 1.660 311 1HB CYS 47 HB2 CYS 47 1.602 -5.164 -0.871 312 2HB CYS 47 HB1 CYS 47 1.839 -3.411 -0.654 313 H TRP 48 HN TRP 48 3.664 -3.694 2.163 314 HA TRP 48 HA TRP 48 2.462 -1.463 3.647 315 1HB TRP 48 HB2 TRP 48 3.106 -3.210 5.326 316 2HB TRP 48 HB1 TRP 48 4.685 -3.413 4.520 317 HD1 TRP 48 HD1 TRP 48 6.553 -1.430 5.024 318 HE1 TRP 48 HE1 TRP 48 6.768 0.281 6.973 319 HE3 TRP 48 HE3 TRP 48 1.885 -1.912 6.969 320 HZ2 TRP 48 HZ2 TRP 48 5.201 1.082 9.198 321 HZ3 TRP 48 HZ3 TRP 48 1.289 -0.694 9.027 322 HH2 TRP 48 HH2 TRP 48 2.920 0.808 10.117 323 H CYS 49 HN CYS 49 4.106 0.366 3.783 324 HA CYS 49 HA CYS 49 6.491 -0.051 2.266 325 1HB CYS 49 HB2 CYS 49 4.342 1.957 1.411 326 2HB CYS 49 HB1 CYS 49 6.081 2.354 1.198 327 H ASN 50 HN ASN 50 8.030 1.521 3.013 328 HA ASN 50 HA ASN 50 7.083 3.082 5.324 329 1HB ASN 50 HB2 ASN 50 9.308 1.185 5.084 330 2HB ASN 50 HB1 ASN 50 10.029 2.812 5.250 331 1HD2 ASN 50 HD22 ASN 50 10.153 3.654 7.363 332 2HD2 ASN 50 HD21 ASN 50 9.306 3.009 8.731 333 H ALA 51 HN ALA 51 7.240 5.235 5.049 334 HA ALA 51 HA ALA 51 7.856 7.177 4.521 335 1HB ALA 51 HB1 ALA 51 10.320 6.091 3.077 336 2HB ALA 51 HB2 ALA 51 10.252 6.532 4.822 337 3HB ALA 51 HB3 ALA 51 10.018 7.799 3.548 338 H LEU 52 HN LEU 52 5.813 6.868 3.273 339 HA LEU 52 HA LEU 52 6.345 7.130 0.380 340 1HB LEU 52 HB2 LEU 52 3.766 6.506 1.916 341 2HB LEU 52 HB1 LEU 52 3.735 7.120 0.230 342 HG LEU 52 HG LEU 52 5.246 4.586 1.027 343 1HD1 LEU 52 HD11 LEU 52 2.350 4.860 -0.032 344 2HD1 LEU 52 HD12 LEU 52 2.864 4.249 1.593 345 3HD1 LEU 52 HD13 LEU 52 3.280 3.323 0.108 346 1HD2 LEU 52 HD21 LEU 52 4.233 5.540 -1.743 347 2HD2 LEU 52 HD22 LEU 52 5.195 4.067 -1.387 348 3HD2 LEU 52 HD23 LEU 52 5.907 5.699 -1.155 349 HA PRO 53 HA PRO 53 5.426 11.368 1.535 350 1HB PRO 53 HB2 PRO 53 5.160 12.542 -0.994 351 2HB PRO 53 HB1 PRO 53 6.745 12.033 -0.297 352 1HG PRO 53 HG1 PRO 53 5.022 10.553 -2.328 353 2HG PRO 53 HG2 PRO 53 6.815 10.776 -2.303 354 1HD PRO 53 HD1 PRO 53 5.449 8.480 -1.358 355 2HD PRO 53 HD2 PRO 53 7.086 8.980 -0.779 356 H ASP 54 HN ASP 54 3.643 13.048 1.125 357 HA ASP 54 HA ASP 54 1.278 11.740 1.760 358 1HB ASP 54 HB2 ASP 54 1.873 14.679 1.087 359 2HB ASP 54 HB1 ASP 54 0.311 14.112 1.795 360 H ASN 55 HN ASN 55 2.420 12.305 -1.404 361 HA ASN 55 HA ASN 55 -0.222 12.895 -2.470 362 1HB ASN 55 HB2 ASN 55 0.862 12.864 -4.713 363 2HB ASN 55 HB1 ASN 55 1.652 14.027 -3.597 364 1HD2 ASN 55 HD21 ASN 55 2.206 11.243 -5.644 365 2HD2 ASN 55 HD22 ASN 55 3.874 11.004 -5.221 366 H VAL 56 HN VAL 56 1.077 10.197 -1.133 367 HA VAL 56 HA VAL 56 0.041 8.410 -3.230 368 HB VAL 56 HB VAL 56 1.772 7.607 -0.824 369 1HG1 VAL 56 HG11 VAL 56 1.129 6.354 -3.589 370 2HG1 VAL 56 HG12 VAL 56 0.522 5.792 -1.983 371 3HG1 VAL 56 HG13 VAL 56 2.265 5.668 -2.377 372 1HG2 VAL 56 HG21 VAL 56 2.708 8.645 -3.588 373 2HG2 VAL 56 HG22 VAL 56 3.736 7.711 -2.431 374 3HG2 VAL 56 HG23 VAL 56 3.105 9.314 -1.973 375 H GLY 57 HN GLY 57 -1.789 7.117 -2.535 376 1HA GLY 57 HA2 GLY 57 -2.822 7.884 0.112 377 2HA GLY 57 HA1 GLY 57 -3.763 7.289 -1.328 378 H ILE 58 HN ILE 58 -3.941 6.077 1.340 379 HA ILE 58 HA ILE 58 -2.753 3.511 0.840 380 HB ILE 58 HB ILE 58 -1.910 3.332 3.139 381 1HG1 ILE 58 HG12 ILE 58 -2.164 6.387 3.358 382 2HG1 ILE 58 HG11 ILE 58 -3.309 5.231 4.123 383 1HG2 ILE 58 HG21 ILE 58 0.239 4.394 2.710 384 2HG2 ILE 58 HG22 ILE 58 -0.511 5.630 1.636 385 3HG2 ILE 58 HG23 ILE 58 -0.446 3.906 1.119 386 1HD1 ILE 58 HD11 ILE 58 -1.480 4.167 5.397 387 2HD1 ILE 58 HD12 ILE 58 -1.571 5.939 5.740 388 3HD1 ILE 58 HD13 ILE 58 -0.273 5.292 4.666 389 H ILE 59 HN ILE 59 -3.602 2.354 3.282 390 HA ILE 59 HA ILE 59 -6.275 2.117 2.489 391 HB ILE 59 HB ILE 59 -5.639 0.872 5.128 392 1HG1 ILE 59 HG12 ILE 59 -3.437 0.595 4.219 393 2HG1 ILE 59 HG11 ILE 59 -4.350 -0.942 4.309 394 1HG2 ILE 59 HG21 ILE 59 -6.853 -0.095 2.446 395 2HG2 ILE 59 HG22 ILE 59 -7.769 0.462 3.885 396 3HG2 ILE 59 HG23 ILE 59 -6.797 -1.043 3.971 397 1HD1 ILE 59 HD11 ILE 59 -4.876 -0.523 1.735 398 2HD1 ILE 59 HD12 ILE 59 -3.241 -1.116 2.235 399 3HD1 ILE 59 HD13 ILE 59 -3.486 0.613 1.848 400 H VAL 60 HN VAL 60 -8.201 2.581 3.583 401 HA VAL 60 HA VAL 60 -8.257 3.875 6.107 402 HB VAL 60 HB VAL 60 -8.488 5.252 3.439 403 1HG1 VAL 60 HG11 VAL 60 -10.912 5.030 3.772 404 2HG1 VAL 60 HG12 VAL 60 -10.398 6.729 4.025 405 3HG1 VAL 60 HG13 VAL 60 -10.779 5.699 5.453 406 1HG2 VAL 60 HG21 VAL 60 -6.901 5.921 5.250 407 2HG2 VAL 60 HG22 VAL 60 -8.291 6.289 6.344 408 3HG2 VAL 60 HG23 VAL 60 -8.035 7.256 4.843 409 H GLU 61 HN GLU 61 -10.674 3.574 6.763 410 HA GLU 61 HA GLU 61 -12.337 2.350 4.866 411 1HB GLU 61 HB2 GLU 61 -11.403 0.278 5.885 412 2HB GLU 61 HB1 GLU 61 -11.642 0.960 7.548 413 1HG GLU 61 HG2 GLU 61 -14.144 0.921 7.155 414 2HG GLU 61 HG1 GLU 61 -13.859 0.231 5.511 415 H GLY 62 HN GLY 62 -14.496 3.013 5.804 416 1HA GLY 62 HA2 GLY 62 -15.488 4.456 7.570 417 2HA GLY 62 HA1 GLY 62 -14.015 5.499 7.302 418 H GLU 63 HN GLU 63 -13.492 4.978 4.699 419 HA GLU 63 HA GLU 63 -15.962 5.314 3.160 420 1HB GLU 63 HB2 GLU 63 -13.883 6.925 2.734 421 2HB GLU 63 HB1 GLU 63 -13.097 5.513 2.018 422 1HG GLU 63 HG2 GLU 63 -14.122 6.849 0.232 423 2HG GLU 63 HG1 GLU 63 -15.082 5.332 0.378 424 H LYS 64 HN LYS 64 -13.780 3.819 1.133 425 HA LYS 64 HA LYS 64 -13.293 1.406 2.277 426 1HB LYS 64 HB2 LYS 64 -15.937 1.266 1.606 427 2HB LYS 64 HB1 LYS 64 -15.323 1.265 -0.070 428 1HG LYS 64 HG2 LYS 64 -15.716 -1.030 0.565 429 2HG LYS 64 HG1 LYS 64 -13.936 -0.844 0.590 430 1HD LYS 64 HD2 LYS 64 -14.543 -2.137 2.503 431 2HD LYS 64 HD1 LYS 64 -14.077 -0.520 3.128 432 1HE LYS 64 HE2 LYS 64 -16.530 0.085 3.356 433 2HE LYS 64 HE1 LYS 64 -16.976 -1.529 2.665 434 1HZ LYS 64 HZ1 LYS 64 -15.463 -1.050 5.177 435 2HZ LYS 64 HZ2 LYS 64 -15.862 -2.564 4.522 436 3HZ LYS 64 HZ3 LYS 64 -17.092 -1.514 5.038 437 H CYS 65 HN CYS 65 -12.941 0.293 -0.399 438 HA CYS 65 HA CYS 65 -11.005 1.937 -1.601 439 1HB CYS 65 HB2 CYS 65 -11.141 -0.584 -1.975 440 2HB CYS 65 HB1 CYS 65 -12.684 -0.342 -2.840 441 H HIS 66 HN HIS 66 -11.296 3.685 -3.119 442 HA HIS 66 HA HIS 66 -13.790 3.909 -4.430 443 1HB HIS 66 HB2 HIS 66 -14.127 6.291 -3.816 444 2HB HIS 66 HB1 HIS 66 -14.270 5.295 -2.333 445 HD1 HIS 66 HD1 HIS 66 -12.253 8.052 -3.836 446 HD2 HIS 66 HD2 HIS 66 -12.043 5.548 -0.470 447 HE1 HIS 66 HE1 HIS 66 -10.580 9.072 -2.245 448 HE2 HIS 66 HE2 HIS 66 -10.474 7.539 -0.232 449 H SER 67 HN SER 67 -13.210 5.354 -6.326 450 HA SER 67 HA SER 67 -10.870 6.616 -6.688 451 1HB SER 67 HB2 SER 67 -11.024 3.704 -7.788 452 2HB SER 67 HB1 SER 67 -9.946 4.977 -8.496 453 HG SER 67 HG SER 67 -9.951 4.256 -5.748 454 1HN NH2 68 H1 NH2 68 -11.212 6.911 -9.390 455 2HN NH2 68 H2 NH2 68 -12.887 6.899 -9.840 Start of MODEL 23 1 1H VAL 1 HT1 VAL 1 7.494 12.828 4.867 2 2H VAL 1 HT2 VAL 1 7.438 12.150 6.424 3 3H VAL 1 HT3 VAL 1 6.065 12.917 5.788 4 HA VAL 1 HA VAL 1 5.916 11.279 4.074 5 HB VAL 1 HB VAL 1 7.176 9.111 4.348 6 1HG1 VAL 1 HG11 VAL 1 9.216 9.907 3.227 7 2HG1 VAL 1 HG12 VAL 1 8.934 11.592 3.802 8 3HG1 VAL 1 HG13 VAL 1 7.791 10.826 2.638 9 1HG2 VAL 1 HG21 VAL 1 8.935 10.727 6.319 10 2HG2 VAL 1 HG22 VAL 1 9.257 9.071 5.693 11 3HG2 VAL 1 HG23 VAL 1 7.841 9.364 6.760 12 H ARG 2 HN ARG 2 4.875 9.070 4.443 13 HA ARG 2 HA ARG 2 3.995 8.760 7.244 14 1HB ARG 2 HB2 ARG 2 1.954 7.643 6.549 15 2HB ARG 2 HB1 ARG 2 1.960 9.296 5.906 16 1HG ARG 2 HG2 ARG 2 2.928 7.008 4.111 17 2HG ARG 2 HG1 ARG 2 1.196 7.121 4.476 18 1HD ARG 2 HD2 ARG 2 2.514 9.704 3.500 19 2HD ARG 2 HD1 ARG 2 2.393 8.329 2.339 20 HE ARG 2 HE ARG 2 0.099 8.556 2.203 21 1HH1 ARG 2 HH21 ARG 2 1.219 10.628 4.903 22 2HH1 ARG 2 HH22 ARG 2 -0.291 11.465 5.034 23 1HH2 ARG 2 HH11 ARG 2 -1.884 9.649 2.424 24 2HH2 ARG 2 HH12 ARG 2 -2.092 10.883 3.621 25 H ASP 3 HN ASP 3 3.193 6.183 7.294 26 HA ASP 3 HA ASP 3 4.919 4.573 5.676 27 1HB ASP 3 HB2 ASP 3 4.342 4.010 8.684 28 2HB ASP 3 HB1 ASP 3 5.248 2.959 7.539 29 H GLY 4 HN GLY 4 3.354 2.653 5.206 30 1HA GLY 4 HA2 GLY 4 0.773 2.950 6.435 31 2HA GLY 4 HA1 GLY 4 0.900 3.574 4.731 32 H TYR 5 HN TYR 5 -0.833 1.477 5.323 33 HA TYR 5 HA TYR 5 0.392 -0.831 4.043 34 1HB TYR 5 HB2 TYR 5 -2.483 -0.018 4.828 35 2HB TYR 5 HB1 TYR 5 -2.189 -1.371 3.689 36 HD1 TYR 5 HD1 TYR 5 -0.924 -3.372 4.433 37 HD2 TYR 5 HD2 TYR 5 -2.234 -0.330 7.175 38 HE1 TYR 5 HE1 TYR 5 -0.897 -5.007 6.258 39 HE2 TYR 5 HE2 TYR 5 -2.171 -1.963 9.021 40 HH TYR 5 HH TYR 5 -1.864 -5.431 8.377 41 H ILE 6 HN ILE 6 0.552 -0.731 1.751 42 HA ILE 6 HA ILE 6 -0.424 1.792 0.625 43 HB ILE 6 HB ILE 6 1.972 1.404 0.358 44 1HG1 ILE 6 HG12 ILE 6 0.409 1.492 -2.294 45 2HG1 ILE 6 HG11 ILE 6 0.695 2.880 -1.185 46 1HG2 ILE 6 HG21 ILE 6 1.933 -1.060 0.173 47 2HG2 ILE 6 HG22 ILE 6 2.792 -0.333 -1.216 48 3HG2 ILE 6 HG23 ILE 6 1.126 -0.952 -1.445 49 1HD1 ILE 6 HD11 ILE 6 3.210 2.576 -1.573 50 2HD1 ILE 6 HD12 ILE 6 2.272 2.993 -3.050 51 3HD1 ILE 6 HD13 ILE 6 2.804 1.299 -2.784 52 H ALA 7 HN ALA 7 -1.589 1.880 -1.148 53 HA ALA 7 HA ALA 7 -3.340 -0.348 -1.746 54 1HB ALA 7 HB1 ALA 7 -3.979 2.679 -1.758 55 2HB ALA 7 HB2 ALA 7 -4.459 1.552 -0.440 56 3HB ALA 7 HB3 ALA 7 -5.154 1.342 -2.048 57 H GLN 8 HN GLN 8 -4.694 1.460 -3.706 58 HA GLN 8 HA GLN 8 -2.815 2.210 -5.633 59 1HB GLN 8 HB2 GLN 8 -5.127 0.203 -6.203 60 2HB GLN 8 HB1 GLN 8 -4.309 1.177 -7.473 61 1HG GLN 8 HG2 GLN 8 -2.098 0.091 -6.782 62 2HG GLN 8 HG1 GLN 8 -3.033 -1.044 -5.747 63 1HE2 GLN 8 HE22 GLN 8 -5.125 -1.949 -7.115 64 2HE2 GLN 8 HE21 GLN 8 -4.771 -2.481 -8.728 65 HA PRO 9 HA PRO 9 -5.687 5.406 -5.219 66 1HB PRO 9 HB2 PRO 9 -6.446 5.181 -8.188 67 2HB PRO 9 HB1 PRO 9 -6.146 6.693 -7.231 68 1HG PRO 9 HG1 PRO 9 -4.140 5.648 -8.768 69 2HG PRO 9 HG2 PRO 9 -3.771 6.181 -7.074 70 1HD PRO 9 HD1 PRO 9 -4.254 3.339 -8.120 71 2HD PRO 9 HD2 PRO 9 -3.031 3.942 -6.903 72 H GLU 10 HN GLU 10 -9.142 4.429 -4.753 73 HA GLU 10 HA GLU 10 -6.720 5.311 -3.559 74 1HB GLU 10 HB2 GLU 10 -9.111 7.037 -4.383 75 2HB GLU 10 HB1 GLU 10 -8.770 7.089 -2.631 76 1HG GLU 10 HG2 GLU 10 -6.746 7.792 -4.855 77 2HG GLU 10 HG1 GLU 10 -7.670 8.974 -3.849 78 H ASN 11 HN ASN 11 -6.969 4.507 -1.395 79 HA ASN 11 HA ASN 11 -7.866 3.404 0.190 80 1HB ASN 11 HB2 ASN 11 -9.659 5.300 -0.016 81 2HB ASN 11 HB1 ASN 11 -10.718 4.068 -0.775 82 1HD2 ASN 11 HD22 ASN 11 -12.237 3.749 1.009 83 2HD2 ASN 11 HD21 ASN 11 -11.697 3.848 2.679 84 H CYS 12 HN CYS 12 -7.319 2.104 -2.249 85 HA CYS 12 HA CYS 12 -9.038 -0.315 -2.052 86 1HB CYS 12 HB2 CYS 12 -7.012 0.627 -4.144 87 2HB CYS 12 HB1 CYS 12 -7.358 -1.112 -3.982 88 H VAL 13 HN VAL 13 -6.624 -2.069 -2.634 89 HA VAL 13 HA VAL 13 -4.801 -1.443 -0.552 90 HB VAL 13 HB VAL 13 -4.714 -4.041 -0.139 91 1HG1 VAL 13 HG11 VAL 13 -6.311 -3.865 1.805 92 2HG1 VAL 13 HG12 VAL 13 -6.845 -2.252 1.189 93 3HG1 VAL 13 HG13 VAL 13 -5.142 -2.516 1.694 94 1HG2 VAL 13 HG21 VAL 13 -6.414 -4.645 -1.884 95 2HG2 VAL 13 HG22 VAL 13 -7.698 -3.806 -0.929 96 3HG2 VAL 13 HG23 VAL 13 -6.849 -5.243 -0.247 97 H TYR 14 HN TYR 14 -2.819 -2.724 -1.351 98 HA TYR 14 HA TYR 14 -3.035 -3.367 -4.181 99 1HB TYR 14 HB2 TYR 14 -0.800 -2.464 -2.501 100 2HB TYR 14 HB1 TYR 14 -0.399 -4.102 -3.055 101 HD1 TYR 14 HD1 TYR 14 0.283 -0.899 -3.914 102 HD2 TYR 14 HD2 TYR 14 -1.336 -4.469 -5.703 103 HE1 TYR 14 HE1 TYR 14 0.839 -0.038 -6.152 104 HE2 TYR 14 HE2 TYR 14 -0.826 -3.590 -7.925 105 HH TYR 14 HH TYR 14 -0.735 -1.289 -8.876 106 H HIS 15 HN HIS 15 -1.281 -5.864 -4.051 107 HA HIS 15 HA HIS 15 -2.390 -7.305 -1.845 108 1HB HIS 15 HB2 HIS 15 -2.793 -8.123 -4.799 109 2HB HIS 15 HB1 HIS 15 -2.522 -9.351 -3.511 110 HD1 HIS 15 HD1 HIS 15 -4.991 -6.503 -4.183 111 HD2 HIS 15 HD2 HIS 15 -4.692 -10.090 -2.036 112 HE1 HIS 15 HE1 HIS 15 -7.248 -6.925 -3.109 113 HE2 HIS 15 HE2 HIS 15 -7.019 -9.098 -1.814 114 H CYS 16 HN CYS 16 -0.672 -8.790 -1.360 115 HA CYS 16 HA CYS 16 1.816 -7.880 -2.575 116 1HB CYS 16 HB2 CYS 16 1.301 -8.064 0.047 117 2HB CYS 16 HB1 CYS 16 1.574 -9.808 -0.189 118 H PHE 17 HN PHE 17 3.448 -9.985 -2.607 119 HA PHE 17 HA PHE 17 1.982 -12.295 -3.593 120 1HB PHE 17 HB2 PHE 17 4.929 -11.433 -4.134 121 2HB PHE 17 HB1 PHE 17 4.108 -12.910 -4.743 122 HD1 PHE 17 HD1 PHE 17 5.739 -11.203 -6.387 123 HD2 PHE 17 HD2 PHE 17 1.531 -10.784 -5.553 124 HE1 PHE 17 HE1 PHE 17 5.412 -10.038 -8.543 125 HE2 PHE 17 HE2 PHE 17 1.230 -9.602 -7.675 126 HZ PHE 17 HZ PHE 17 3.165 -9.208 -9.178 127 HA PRO 18 HA PRO 18 3.897 -12.696 0.543 128 1HB PRO 18 HB2 PRO 18 3.562 -15.681 -0.154 129 2HB PRO 18 HB1 PRO 18 3.333 -14.909 1.464 130 1HG PRO 18 HG1 PRO 18 1.182 -15.434 -0.157 131 2HG PRO 18 HG2 PRO 18 1.268 -13.862 0.748 132 1HD PRO 18 HD1 PRO 18 1.708 -14.348 -2.212 133 2HD PRO 18 HD2 PRO 18 1.152 -12.862 -1.332 134 H GLY 19 HN GLY 19 5.746 -12.405 -1.662 135 1HA GLY 19 HA2 GLY 19 8.058 -13.444 -0.366 136 2HA GLY 19 HA1 GLY 19 7.847 -13.862 -2.151 137 H SER 20 HN SER 20 8.704 -11.336 0.091 138 HA SER 20 HA SER 20 7.115 -9.391 -0.341 139 1HB SER 20 HB2 SER 20 10.142 -9.015 0.083 140 2HB SER 20 HB1 SER 20 8.792 -8.095 0.856 141 HG SER 20 HG SER 20 9.780 -9.754 2.173 142 H SER 21 HN SER 21 9.925 -10.088 -2.422 143 HA SER 21 HA SER 21 10.612 -7.814 -3.386 144 1HB SER 21 HB2 SER 21 10.411 -10.360 -5.069 145 2HB SER 21 HB1 SER 21 11.665 -9.058 -5.178 146 HG SER 21 HG SER 21 12.387 -10.829 -3.944 147 H GLY 22 HN GLY 22 7.683 -9.488 -4.689 148 1HA GLY 22 HA2 GLY 22 7.606 -7.880 -7.010 149 2HA GLY 22 HA1 GLY 22 6.227 -8.744 -6.230 150 H CYS 23 HN CYS 23 6.088 -7.466 -3.763 151 HA CYS 23 HA CYS 23 4.836 -5.051 -4.754 152 1HB CYS 23 HB2 CYS 23 3.886 -6.814 -2.954 153 2HB CYS 23 HB1 CYS 23 4.652 -5.673 -1.806 154 H ASP 24 HN ASP 24 7.661 -6.022 -2.870 155 HA ASP 24 HA ASP 24 8.343 -3.482 -1.928 156 1HB ASP 24 HB2 ASP 24 9.521 -5.619 -1.266 157 2HB ASP 24 HB1 ASP 24 10.240 -5.703 -2.916 158 H THR 25 HN THR 25 8.859 -5.039 -5.138 159 HA THR 25 HA THR 25 10.329 -2.921 -6.238 160 HB THR 25 HB THR 25 8.388 -4.764 -7.676 161 HG1 THR 25 HG1 THR 25 9.895 -5.987 -6.488 162 1HG2 THR 25 HG21 THR 25 9.983 -4.403 -9.618 163 2HG2 THR 25 HG22 THR 25 10.938 -3.256 -8.608 164 3HG2 THR 25 HG23 THR 25 9.250 -2.849 -9.091 165 H LEU 26 HN LEU 26 6.754 -3.497 -6.067 166 HA LEU 26 HA LEU 26 6.004 -1.245 -7.554 167 1HB LEU 26 HB2 LEU 26 4.531 -2.709 -5.283 168 2HB LEU 26 HB1 LEU 26 3.787 -1.429 -6.288 169 HG LEU 26 HG LEU 26 4.973 -3.991 -7.493 170 1HD1 LEU 26 HD11 LEU 26 2.596 -4.800 -7.672 171 2HD1 LEU 26 HD12 LEU 26 2.079 -3.434 -6.610 172 3HD1 LEU 26 HD13 LEU 26 3.176 -4.698 -5.975 173 1HD2 LEU 26 HD21 LEU 26 4.749 -2.109 -9.101 174 2HD2 LEU 26 HD22 LEU 26 3.034 -1.851 -8.607 175 3HD2 LEU 26 HD23 LEU 26 3.521 -3.370 -9.453 176 H CYS 27 HN CYS 27 6.560 -1.741 -4.080 177 HA CYS 27 HA CYS 27 5.929 0.751 -3.142 178 1HB CYS 27 HB2 CYS 27 6.601 -1.384 -1.829 179 2HB CYS 27 HB1 CYS 27 8.303 -0.919 -2.112 180 H LYS 28 HN LYS 28 9.075 -0.423 -4.489 181 HA LYS 28 HA LYS 28 10.448 1.994 -3.942 182 1HB LYS 28 HB2 LYS 28 11.049 -0.192 -6.009 183 2HB LYS 28 HB1 LYS 28 12.130 1.208 -5.682 184 1HG LYS 28 HG2 LYS 28 12.357 0.498 -3.287 185 2HG LYS 28 HG1 LYS 28 11.402 -0.974 -3.641 186 1HD LYS 28 HD2 LYS 28 14.090 -0.182 -4.934 187 2HD LYS 28 HD1 LYS 28 13.836 -1.424 -3.655 188 1HE LYS 28 HE2 LYS 28 12.469 -2.809 -5.240 189 2HE LYS 28 HE1 LYS 28 12.684 -1.567 -6.537 190 1HZ LYS 28 HZ1 LYS 28 15.050 -1.939 -6.435 191 2HZ LYS 28 HZ2 LYS 28 14.195 -3.361 -6.788 192 3HZ LYS 28 HZ3 LYS 28 14.848 -3.128 -5.237 193 H GLU 29 HN GLU 29 8.720 0.789 -6.915 194 HA GLU 29 HA GLU 29 9.682 3.007 -8.403 195 1HB GLU 29 HB2 GLU 29 8.185 2.439 -10.207 196 2HB GLU 29 HB1 GLU 29 9.048 0.980 -9.615 197 1HG GLU 29 HG2 GLU 29 7.038 0.248 -8.392 198 2HG GLU 29 HG1 GLU 29 6.115 1.710 -8.904 199 H LYS 30 HN LYS 30 6.919 2.643 -6.237 200 HA LYS 30 HA LYS 30 5.725 5.077 -7.242 201 1HB LYS 30 HB2 LYS 30 4.285 3.320 -6.166 202 2HB LYS 30 HB1 LYS 30 5.162 3.575 -4.627 203 1HG LYS 30 HG2 LYS 30 3.084 4.724 -4.484 204 2HG LYS 30 HG1 LYS 30 4.331 5.996 -4.605 205 1HD LYS 30 HD2 LYS 30 2.800 5.004 -7.092 206 2HD LYS 30 HD1 LYS 30 2.008 6.113 -5.932 207 1HE LYS 30 HE2 LYS 30 4.559 6.768 -7.551 208 2HE LYS 30 HE1 LYS 30 2.890 7.397 -7.823 209 1HZ LYS 30 HZ1 LYS 30 2.976 8.453 -5.685 210 2HZ LYS 30 HZ2 LYS 30 4.301 8.931 -6.633 211 3HZ LYS 30 HZ3 LYS 30 4.521 7.813 -5.375 212 H GLY 31 HN GLY 31 7.607 3.994 -4.332 213 1HA GLY 31 HA2 GLY 31 9.567 5.315 -4.070 214 2HA GLY 31 HA1 GLY 31 8.548 6.801 -4.118 215 H GLY 32 HN GLY 32 8.107 3.595 -2.452 216 1HA GLY 32 HA2 GLY 32 8.567 4.976 0.110 217 2HA GLY 32 HA1 GLY 32 7.730 3.378 -0.163 218 H THR 33 HN THR 33 10.476 4.058 1.261 219 HA THR 33 HA THR 33 12.382 3.535 -0.771 220 HB THR 33 HB THR 33 13.979 3.496 1.265 221 HG1 THR 33 HG1 THR 33 12.533 2.981 2.876 222 1HG2 THR 33 HG21 THR 33 13.535 5.523 -0.159 223 2HG2 THR 33 HG22 THR 33 13.689 5.975 1.575 224 3HG2 THR 33 HG23 THR 33 12.063 5.902 0.809 225 H SER 34 HN SER 34 10.587 1.456 1.503 226 HA SER 34 HA SER 34 11.296 -0.725 0.009 227 1HB SER 34 HB2 SER 34 12.423 -0.632 2.901 228 2HB SER 34 HB1 SER 34 12.136 -2.169 1.998 229 HG SER 34 HG SER 34 13.570 -0.156 0.693 230 H GLY 35 HN GLY 35 9.909 -2.643 1.356 231 1HA GLY 35 HA2 GLY 35 7.896 -1.729 2.976 232 2HA GLY 35 HA1 GLY 35 7.436 -1.743 1.192 233 H HIS 36 HN HIS 36 6.137 -3.862 2.214 234 HA HIS 36 HA HIS 36 7.525 -6.158 1.561 235 1HB HIS 36 HB2 HIS 36 7.537 -7.185 3.960 236 2HB HIS 36 HB1 HIS 36 8.835 -6.009 3.617 237 HD1 HIS 36 HD1 HIS 36 5.469 -6.056 5.427 238 HD2 HIS 36 HD2 HIS 36 9.053 -3.867 5.322 239 HE1 HIS 36 HE1 HIS 36 5.434 -4.453 7.381 240 HE2 HIS 36 HE2 HIS 36 7.591 -3.135 7.272 241 H CYS 37 HN CYS 37 5.793 -7.947 2.906 242 HA CYS 37 HA CYS 37 3.281 -7.006 1.851 243 1HB CYS 37 HB2 CYS 37 3.891 -9.610 3.384 244 2HB CYS 37 HB1 CYS 37 2.400 -9.248 2.463 245 H GLY 38 HN GLY 38 1.160 -7.490 3.286 246 1HA GLY 38 HA2 GLY 38 1.596 -7.353 6.036 247 2HA GLY 38 HA1 GLY 38 0.987 -5.797 5.265 248 H PHE 39 HN PHE 39 -0.866 -7.366 6.835 249 HA PHE 39 HA PHE 39 -2.643 -8.244 4.775 250 1HB PHE 39 HB2 PHE 39 -1.561 -10.408 5.859 251 2HB PHE 39 HB1 PHE 39 -2.202 -9.825 7.437 252 HD1 PHE 39 HD1 PHE 39 -3.146 -10.785 3.941 253 HD2 PHE 39 HD2 PHE 39 -4.534 -10.181 7.961 254 HE1 PHE 39 HE1 PHE 39 -5.367 -11.636 3.296 255 HE2 PHE 39 HE2 PHE 39 -6.757 -11.025 7.319 256 HZ PHE 39 HZ PHE 39 -7.193 -11.766 4.989 257 H LYS 40 HN LYS 40 -4.876 -7.785 5.835 258 HA LYS 40 HA LYS 40 -5.001 -6.664 8.338 259 1HB LYS 40 HB2 LYS 40 -6.005 -4.470 7.623 260 2HB LYS 40 HB1 LYS 40 -4.254 -4.513 7.287 261 1HG LYS 40 HG2 LYS 40 -4.626 -5.008 4.921 262 2HG LYS 40 HG1 LYS 40 -6.405 -5.044 5.125 263 1HD LYS 40 HD2 LYS 40 -4.736 -2.548 5.814 264 2HD LYS 40 HD1 LYS 40 -5.253 -2.926 4.142 265 1HE LYS 40 HE2 LYS 40 -6.803 -1.314 5.117 266 2HE LYS 40 HE1 LYS 40 -7.660 -2.870 4.788 267 1HZ LYS 40 HZ1 LYS 40 -6.633 -1.978 7.434 268 2HZ LYS 40 HZ2 LYS 40 -7.527 -3.386 7.109 269 3HZ LYS 40 HZ3 LYS 40 -8.239 -1.862 6.897 270 H VAL 41 HN VAL 41 -7.718 -5.850 7.974 271 HA VAL 41 HA VAL 41 -8.867 -7.684 6.118 272 HB VAL 41 HB VAL 41 -10.544 -7.752 8.475 273 1HG1 VAL 41 HG11 VAL 41 -8.858 -9.933 7.078 274 2HG1 VAL 41 HG12 VAL 41 -10.507 -9.390 6.596 275 3HG1 VAL 41 HG13 VAL 41 -10.264 -10.222 8.175 276 1HG2 VAL 41 HG21 VAL 41 -9.134 -8.975 10.118 277 2HG2 VAL 41 HG22 VAL 41 -8.507 -7.311 9.875 278 3HG2 VAL 41 HG23 VAL 41 -7.667 -8.720 9.109 279 H GLY 42 HN GLY 42 -11.200 -6.820 6.006 280 1HA GLY 42 HA2 GLY 42 -12.587 -4.915 6.364 281 2HA GLY 42 HA1 GLY 42 -11.081 -3.890 6.315 282 H HIS 43 HN HIS 43 -9.582 -5.239 4.520 283 HA HIS 43 HA HIS 43 -11.168 -5.494 2.063 284 1HB HIS 43 HB2 HIS 43 -8.374 -4.246 2.371 285 2HB HIS 43 HB1 HIS 43 -9.071 -4.805 0.805 286 HD1 HIS 43 HD1 HIS 43 -8.568 -2.157 0.337 287 HD2 HIS 43 HD2 HIS 43 -11.904 -3.002 2.746 288 HE1 HIS 43 HE1 HIS 43 -10.070 -0.123 0.315 289 HE2 HIS 43 HE2 HIS 43 -12.064 -0.679 1.765 290 H GLY 44 HN GLY 44 -7.605 -6.218 2.953 291 1HA GLY 44 HA2 GLY 44 -7.871 -8.714 3.756 292 2HA GLY 44 HA1 GLY 44 -8.028 -8.810 1.936 293 H LEU 45 HN LEU 45 -5.944 -9.652 1.559 294 HA LEU 45 HA LEU 45 -3.555 -8.881 2.707 295 1HB LEU 45 HB2 LEU 45 -3.969 -10.998 1.340 296 2HB LEU 45 HB1 LEU 45 -4.179 -9.964 -0.104 297 HG LEU 45 HG LEU 45 -1.716 -9.212 0.247 298 1HD1 LEU 45 HD11 LEU 45 -1.628 -11.758 1.999 299 2HD1 LEU 45 HD12 LEU 45 -1.290 -10.068 2.555 300 3HD1 LEU 45 HD13 LEU 45 -0.207 -10.863 1.360 301 1HD2 LEU 45 HD21 LEU 45 -2.338 -12.143 -0.509 302 2HD2 LEU 45 HD22 LEU 45 -0.867 -11.221 -0.970 303 3HD2 LEU 45 HD23 LEU 45 -2.474 -10.708 -1.594 304 H ALA 46 HN ALA 46 -1.971 -7.228 2.117 305 HA ALA 46 HA ALA 46 -2.900 -5.257 0.213 306 1HB ALA 46 HB1 ALA 46 -2.400 -4.806 3.240 307 2HB ALA 46 HB2 ALA 46 -3.998 -4.700 2.440 308 3HB ALA 46 HB3 ALA 46 -2.727 -3.488 2.034 309 H CYS 47 HN CYS 47 -0.731 -3.361 0.754 310 HA CYS 47 HA CYS 47 1.518 -5.222 1.317 311 1HB CYS 47 HB2 CYS 47 1.457 -2.991 -0.774 312 2HB CYS 47 HB1 CYS 47 2.955 -3.808 -0.203 313 H TRP 48 HN TRP 48 3.449 -3.680 2.061 314 HA TRP 48 HA TRP 48 2.261 -1.437 3.533 315 1HB TRP 48 HB2 TRP 48 2.482 -3.342 5.140 316 2HB TRP 48 HB1 TRP 48 4.173 -3.599 4.596 317 HD1 TRP 48 HD1 TRP 48 5.956 -1.615 5.283 318 HE1 TRP 48 HE1 TRP 48 5.938 0.215 7.081 319 HE3 TRP 48 HE3 TRP 48 1.100 -2.055 6.757 320 HZ2 TRP 48 HZ2 TRP 48 4.185 1.067 9.159 321 HZ3 TRP 48 HZ3 TRP 48 0.307 -0.700 8.677 322 HH2 TRP 48 HH2 TRP 48 1.822 0.827 9.864 323 H CYS 49 HN CYS 49 3.795 0.323 3.719 324 HA CYS 49 HA CYS 49 6.355 -0.021 2.381 325 1HB CYS 49 HB2 CYS 49 4.164 1.956 1.559 326 2HB CYS 49 HB1 CYS 49 5.899 2.347 1.313 327 H ASN 50 HN ASN 50 7.888 1.502 3.219 328 HA ASN 50 HA ASN 50 6.853 3.212 5.381 329 1HB ASN 50 HB2 ASN 50 9.493 1.640 5.141 330 2HB ASN 50 HB1 ASN 50 9.467 3.229 5.991 331 1HD2 ASN 50 HD22 ASN 50 10.158 1.902 7.900 332 2HD2 ASN 50 HD21 ASN 50 8.891 1.250 8.889 333 H ALA 51 HN ALA 51 7.543 5.328 5.270 334 HA ALA 51 HA ALA 51 8.370 7.161 4.593 335 1HB ALA 51 HB1 ALA 51 10.509 5.636 3.025 336 2HB ALA 51 HB2 ALA 51 10.640 6.155 4.744 337 3HB ALA 51 HB3 ALA 51 10.533 7.386 3.432 338 H LEU 52 HN LEU 52 6.131 6.794 3.424 339 HA LEU 52 HA LEU 52 6.543 7.078 0.516 340 1HB LEU 52 HB2 LEU 52 4.061 6.505 2.210 341 2HB LEU 52 HB1 LEU 52 3.913 7.147 0.540 342 HG LEU 52 HG LEU 52 5.400 4.554 1.210 343 1HD1 LEU 52 HD11 LEU 52 3.321 3.412 0.315 344 2HD1 LEU 52 HD12 LEU 52 2.489 5.005 0.282 345 3HD1 LEU 52 HD13 LEU 52 3.031 4.296 1.855 346 1HD2 LEU 52 HD21 LEU 52 4.287 5.564 -1.497 347 2HD2 LEU 52 HD22 LEU 52 5.241 4.069 -1.202 348 3HD2 LEU 52 HD23 LEU 52 6.005 5.678 -1.000 349 HA PRO 53 HA PRO 53 5.908 11.393 1.581 350 1HB PRO 53 HB2 PRO 53 4.981 11.491 -1.362 351 2HB PRO 53 HB1 PRO 53 6.044 12.684 -0.511 352 1HG PRO 53 HG1 PRO 53 7.151 10.824 -2.161 353 2HG PRO 53 HG2 PRO 53 7.900 11.060 -0.526 354 1HD PRO 53 HD1 PRO 53 5.917 8.877 -1.384 355 2HD PRO 53 HD2 PRO 53 7.444 8.726 -0.417 356 H ASP 54 HN ASP 54 4.116 13.097 1.521 357 HA ASP 54 HA ASP 54 1.841 11.799 2.495 358 1HB ASP 54 HB2 ASP 54 2.354 14.750 1.820 359 2HB ASP 54 HB1 ASP 54 0.992 14.147 2.854 360 H ASN 55 HN ASN 55 2.630 12.939 -0.708 361 HA ASN 55 HA ASN 55 -0.159 13.232 -1.459 362 1HB ASN 55 HB2 ASN 55 0.691 13.996 -3.637 363 2HB ASN 55 HB1 ASN 55 1.418 14.956 -2.305 364 1HD2 ASN 55 HD22 ASN 55 2.309 13.875 -5.232 365 2HD2 ASN 55 HD21 ASN 55 3.952 13.398 -4.934 366 H VAL 56 HN VAL 56 1.311 10.589 -0.645 367 HA VAL 56 HA VAL 56 0.414 9.116 -3.025 368 HB VAL 56 HB VAL 56 1.979 7.964 -0.643 369 1HG1 VAL 56 HG11 VAL 56 1.418 6.986 -3.540 370 2HG1 VAL 56 HG12 VAL 56 0.625 6.366 -2.038 371 3HG1 VAL 56 HG13 VAL 56 2.382 6.105 -2.300 372 1HG2 VAL 56 HG21 VAL 56 3.099 9.136 -3.274 373 2HG2 VAL 56 HG22 VAL 56 4.016 8.080 -2.123 374 3HG2 VAL 56 HG23 VAL 56 3.445 9.687 -1.606 375 H GLY 57 HN GLY 57 -1.560 7.872 -2.535 376 1HA GLY 57 HA2 GLY 57 -2.569 8.341 0.181 377 2HA GLY 57 HA1 GLY 57 -3.555 8.465 -1.348 378 H ILE 58 HN ILE 58 -3.835 6.471 0.886 379 HA ILE 58 HA ILE 58 -2.746 4.019 -0.305 380 HB ILE 58 HB ILE 58 -1.895 3.496 1.985 381 1HG1 ILE 58 HG12 ILE 58 -2.103 6.528 2.526 382 2HG1 ILE 58 HG11 ILE 58 -3.273 5.337 3.182 383 1HG2 ILE 58 HG21 ILE 58 0.238 4.628 1.649 384 2HG2 ILE 58 HG22 ILE 58 -0.538 5.945 0.699 385 3HG2 ILE 58 HG23 ILE 58 -0.463 4.276 0.032 386 1HD1 ILE 58 HD11 ILE 58 -1.551 5.797 4.871 387 2HD1 ILE 58 HD12 ILE 58 -0.241 5.360 3.713 388 3HD1 ILE 58 HD13 ILE 58 -1.388 4.092 4.286 389 H ILE 59 HN ILE 59 -3.641 2.910 2.453 390 HA ILE 59 HA ILE 59 -6.454 2.821 1.772 391 HB ILE 59 HB ILE 59 -5.999 1.822 4.470 392 1HG1 ILE 59 HG12 ILE 59 -3.747 1.224 3.703 393 2HG1 ILE 59 HG11 ILE 59 -4.813 -0.177 4.029 394 1HG2 ILE 59 HG21 ILE 59 -7.091 0.611 1.841 395 2HG2 ILE 59 HG22 ILE 59 -8.029 1.503 3.057 396 3HG2 ILE 59 HG23 ILE 59 -7.305 -0.074 3.488 397 1HD1 ILE 59 HD11 ILE 59 -3.581 -0.780 2.067 398 2HD1 ILE 59 HD12 ILE 59 -3.817 0.812 1.308 399 3HD1 ILE 59 HD13 ILE 59 -5.214 -0.322 1.458 400 H VAL 60 HN VAL 60 -7.901 4.210 2.504 401 HA VAL 60 HA VAL 60 -6.794 6.543 3.891 402 HB VAL 60 HB VAL 60 -8.092 6.088 1.390 403 1HG1 VAL 60 HG11 VAL 60 -10.057 7.562 1.404 404 2HG1 VAL 60 HG12 VAL 60 -9.945 7.768 3.190 405 3HG1 VAL 60 HG13 VAL 60 -10.343 6.156 2.485 406 1HG2 VAL 60 HG21 VAL 60 -7.806 8.519 1.098 407 2HG2 VAL 60 HG22 VAL 60 -6.344 7.747 1.822 408 3HG2 VAL 60 HG23 VAL 60 -7.474 8.699 2.865 409 H GLU 61 HN GLU 61 -9.251 4.014 3.853 410 HA GLU 61 HA GLU 61 -9.876 4.408 6.548 411 1HB GLU 61 HB2 GLU 61 -11.518 6.056 5.442 412 2HB GLU 61 HB1 GLU 61 -12.199 4.705 4.489 413 1HG GLU 61 HG2 GLU 61 -13.023 3.630 6.612 414 2HG GLU 61 HG1 GLU 61 -12.178 4.889 7.589 415 H GLY 62 HN GLY 62 -12.326 2.497 5.477 416 1HA GLY 62 HA2 GLY 62 -11.011 0.765 3.663 417 2HA GLY 62 HA1 GLY 62 -11.058 0.119 5.366 418 H GLU 63 HN GLU 63 -13.189 2.170 3.337 419 HA GLU 63 HA GLU 63 -15.487 0.703 4.425 420 1HB GLU 63 HB2 GLU 63 -15.450 3.130 4.948 421 2HB GLU 63 HB1 GLU 63 -15.314 3.519 3.200 422 1HG GLU 63 HG2 GLU 63 -17.604 2.478 2.831 423 2HG GLU 63 HG1 GLU 63 -17.685 2.099 4.593 424 H LYS 64 HN LYS 64 -14.297 2.343 1.347 425 HA LYS 64 HA LYS 64 -15.051 0.116 -0.158 426 1HB LYS 64 HB2 LYS 64 -17.297 1.396 0.073 427 2HB LYS 64 HB1 LYS 64 -16.486 2.842 -0.610 428 1HG LYS 64 HG2 LYS 64 -16.108 1.628 -2.757 429 2HG LYS 64 HG1 LYS 64 -16.809 0.127 -2.058 430 1HD LYS 64 HD2 LYS 64 -18.301 2.806 -2.470 431 2HD LYS 64 HD1 LYS 64 -18.341 1.424 -3.607 432 1HE LYS 64 HE2 LYS 64 -19.399 1.364 -0.690 433 2HE LYS 64 HE1 LYS 64 -20.395 1.507 -2.190 434 1HZ LYS 64 HZ1 LYS 64 -20.330 -0.722 -1.363 435 2HZ LYS 64 HZ2 LYS 64 -18.637 -0.777 -1.469 436 3HZ LYS 64 HZ3 LYS 64 -19.573 -0.638 -2.879 437 H CYS 65 HN CYS 65 -14.001 0.718 -2.305 438 HA CYS 65 HA CYS 65 -11.750 2.462 -1.846 439 1HB CYS 65 HB2 CYS 65 -11.271 0.199 -2.730 440 2HB CYS 65 HB1 CYS 65 -12.411 0.455 -4.081 441 H HIS 66 HN HIS 66 -11.243 4.112 -3.279 442 HA HIS 66 HA HIS 66 -11.467 5.792 -4.493 443 1HB HIS 66 HB2 HIS 66 -14.221 4.982 -5.494 444 2HB HIS 66 HB1 HIS 66 -13.229 6.380 -6.068 445 HD1 HIS 66 HD1 HIS 66 -10.573 5.473 -6.562 446 HD2 HIS 66 HD2 HIS 66 -13.675 2.687 -7.038 447 HE1 HIS 66 HE1 HIS 66 -9.601 3.500 -7.756 448 HE2 HIS 66 HE2 HIS 66 -11.510 1.841 -8.080 449 H SER 67 HN SER 67 -13.817 7.689 -4.525 450 HA SER 67 HA SER 67 -13.166 8.461 -1.870 451 1HB SER 67 HB2 SER 67 -14.501 10.558 -2.584 452 2HB SER 67 HB1 SER 67 -13.047 10.157 -3.575 453 HG SER 67 HG SER 67 -15.755 9.615 -4.127 454 1HN NH2 68 H1 NH2 68 -14.419 6.380 -1.131 455 2HN NH2 68 H2 NH2 68 -16.106 6.612 -0.703 Start of MODEL 24 1 1H VAL 1 HT1 VAL 1 5.684 13.174 5.197 2 2H VAL 1 HT2 VAL 1 7.234 13.065 4.504 3 3H VAL 1 HT3 VAL 1 6.947 12.451 6.066 4 HA VAL 1 HA VAL 1 5.729 11.474 3.583 5 HB VAL 1 HB VAL 1 7.064 9.386 3.946 6 1HG1 VAL 1 HG11 VAL 1 9.214 10.267 3.144 7 2HG1 VAL 1 HG12 VAL 1 8.825 11.917 3.744 8 3HG1 VAL 1 HG13 VAL 1 7.868 11.191 2.397 9 1HG2 VAL 1 HG21 VAL 1 8.455 10.984 6.205 10 2HG2 VAL 1 HG22 VAL 1 8.966 9.386 5.563 11 3HG2 VAL 1 HG23 VAL 1 7.400 9.539 6.426 12 H ARG 2 HN ARG 2 4.851 9.105 4.030 13 HA ARG 2 HA ARG 2 3.670 8.966 6.731 14 1HB ARG 2 HB2 ARG 2 2.380 7.899 4.133 15 2HB ARG 2 HB1 ARG 2 1.730 7.760 5.805 16 1HG ARG 2 HG2 ARG 2 0.512 9.614 5.318 17 2HG ARG 2 HG1 ARG 2 2.041 10.490 5.606 18 1HD ARG 2 HD2 ARG 2 1.649 11.381 3.520 19 2HD ARG 2 HD1 ARG 2 2.398 9.857 2.924 20 HE ARG 2 HE ARG 2 0.252 9.125 2.166 21 1HH1 ARG 2 HH21 ARG 2 -0.122 12.065 4.182 22 2HH1 ARG 2 HH22 ARG 2 -1.755 12.343 3.670 23 1HH2 ARG 2 HH11 ARG 2 -1.882 9.548 1.487 24 2HH2 ARG 2 HH12 ARG 2 -2.778 10.884 2.126 25 H ASP 3 HN ASP 3 3.142 6.490 7.200 26 HA ASP 3 HA ASP 3 4.700 4.685 5.610 27 1HB ASP 3 HB2 ASP 3 4.399 4.365 8.692 28 2HB ASP 3 HB1 ASP 3 5.317 3.326 7.558 29 H GLY 4 HN GLY 4 3.045 2.855 5.361 30 1HA GLY 4 HA2 GLY 4 0.820 2.943 7.054 31 2HA GLY 4 HA1 GLY 4 0.483 3.638 5.395 32 H TYR 5 HN TYR 5 -0.869 1.444 5.541 33 HA TYR 5 HA TYR 5 0.775 -0.607 4.244 34 1HB TYR 5 HB2 TYR 5 -2.183 -0.304 5.007 35 2HB TYR 5 HB1 TYR 5 -1.742 -1.441 3.689 36 HD1 TYR 5 HD1 TYR 5 -2.119 -1.024 7.218 37 HD2 TYR 5 HD2 TYR 5 0.194 -3.136 4.278 38 HE1 TYR 5 HE1 TYR 5 -1.461 -2.667 8.915 39 HE2 TYR 5 HE2 TYR 5 0.893 -4.753 5.954 40 HH TYR 5 HH TYR 5 0.525 -5.549 8.134 41 H ILE 6 HN ILE 6 0.688 -0.619 1.870 42 HA ILE 6 HA ILE 6 -0.084 2.061 0.945 43 HB ILE 6 HB ILE 6 2.207 1.525 0.442 44 1HG1 ILE 6 HG12 ILE 6 0.363 1.745 -2.019 45 2HG1 ILE 6 HG11 ILE 6 0.848 3.093 -0.941 46 1HG2 ILE 6 HG21 ILE 6 2.058 -0.913 0.227 47 2HG2 ILE 6 HG22 ILE 6 2.760 -0.206 -1.266 48 3HG2 ILE 6 HG23 ILE 6 1.050 -0.752 -1.273 49 1HD1 ILE 6 HD11 ILE 6 3.297 2.615 -1.602 50 2HD1 ILE 6 HD12 ILE 6 2.224 3.175 -2.938 51 3HD1 ILE 6 HD13 ILE 6 2.663 1.438 -2.806 52 H ALA 7 HN ALA 7 -1.622 2.323 -0.326 53 HA ALA 7 HA ALA 7 -3.343 0.103 -1.100 54 1HB ALA 7 HB1 ALA 7 -5.240 1.715 -1.017 55 2HB ALA 7 HB2 ALA 7 -4.108 3.073 -0.724 56 3HB ALA 7 HB3 ALA 7 -4.354 1.818 0.531 57 H GLN 8 HN GLN 8 -4.853 2.319 -2.684 58 HA GLN 8 HA GLN 8 -2.967 2.965 -4.722 59 1HB GLN 8 HB2 GLN 8 -5.655 1.477 -5.189 60 2HB GLN 8 HB1 GLN 8 -4.701 2.259 -6.491 61 1HG GLN 8 HG2 GLN 8 -2.870 0.653 -6.216 62 2HG GLN 8 HG1 GLN 8 -3.576 -0.010 -4.711 63 1HE2 GLN 8 HE21 GLN 8 -5.277 -1.541 -4.808 64 2HE2 GLN 8 HE22 GLN 8 -5.858 -2.207 -6.312 65 HA PRO 9 HA PRO 9 -5.556 6.198 -3.221 66 1HB PRO 9 HB2 PRO 9 -5.560 8.136 -5.281 67 2HB PRO 9 HB1 PRO 9 -4.135 7.793 -4.232 68 1HG PRO 9 HG1 PRO 9 -4.724 6.666 -7.020 69 2HG PRO 9 HG2 PRO 9 -3.179 7.393 -6.410 70 1HD PRO 9 HD1 PRO 9 -3.604 4.647 -6.479 71 2HD PRO 9 HD2 PRO 9 -2.698 5.414 -5.088 72 H GLU 10 HN GLU 10 -8.912 6.100 -4.509 73 HA GLU 10 HA GLU 10 -7.042 7.840 -3.006 74 1HB GLU 10 HB2 GLU 10 -9.957 8.097 -3.840 75 2HB GLU 10 HB1 GLU 10 -9.269 9.078 -2.502 76 1HG GLU 10 HG2 GLU 10 -7.559 10.031 -4.049 77 2HG GLU 10 HG1 GLU 10 -8.185 9.008 -5.396 78 H ASN 11 HN ASN 11 -8.812 4.847 -2.710 79 HA ASN 11 HA ASN 11 -7.834 4.684 -0.187 80 1HB ASN 11 HB2 ASN 11 -10.191 5.679 0.440 81 2HB ASN 11 HB1 ASN 11 -10.925 4.315 -0.487 82 1HD2 ASN 11 HD22 ASN 11 -11.918 3.944 1.757 83 2HD2 ASN 11 HD21 ASN 11 -11.025 2.944 2.877 84 H CYS 12 HN CYS 12 -7.625 2.340 -0.173 85 HA CYS 12 HA CYS 12 -9.036 0.559 -1.627 86 1HB CYS 12 HB2 CYS 12 -7.288 1.951 -3.467 87 2HB CYS 12 HB1 CYS 12 -6.443 0.549 -3.118 88 H VAL 13 HN VAL 13 -6.693 -1.205 -2.199 89 HA VAL 13 HA VAL 13 -4.997 -1.102 0.033 90 HB VAL 13 HB VAL 13 -5.043 -3.623 0.195 91 1HG1 VAL 13 HG11 VAL 13 -6.209 -2.469 2.024 92 2HG1 VAL 13 HG12 VAL 13 -7.205 -3.859 1.514 93 3HG1 VAL 13 HG13 VAL 13 -7.668 -2.196 1.005 94 1HG2 VAL 13 HG21 VAL 13 -6.960 -4.901 -0.642 95 2HG2 VAL 13 HG22 VAL 13 -6.117 -4.115 -2.005 96 3HG2 VAL 13 HG23 VAL 13 -7.675 -3.419 -1.403 97 H TYR 14 HN TYR 14 -3.097 -2.633 -0.994 98 HA TYR 14 HA TYR 14 -3.357 -2.594 -3.911 99 1HB TYR 14 HB2 TYR 14 -1.030 -1.927 -2.263 100 2HB TYR 14 HB1 TYR 14 -0.654 -3.450 -3.092 101 HD1 TYR 14 HD1 TYR 14 0.161 -0.273 -3.449 102 HD2 TYR 14 HD2 TYR 14 -2.027 -3.204 -5.737 103 HE1 TYR 14 HE1 TYR 14 0.678 0.942 -5.512 104 HE2 TYR 14 HE2 TYR 14 -1.516 -1.986 -7.789 105 HH TYR 14 HH TYR 14 -0.693 -0.011 -8.668 106 H HIS 15 HN HIS 15 -1.549 -4.996 -4.212 107 HA HIS 15 HA HIS 15 -2.833 -6.881 -2.445 108 1HB HIS 15 HB2 HIS 15 -2.871 -7.079 -5.507 109 2HB HIS 15 HB1 HIS 15 -2.632 -8.546 -4.497 110 HD1 HIS 15 HD1 HIS 15 -5.234 -5.767 -4.850 111 HD2 HIS 15 HD2 HIS 15 -4.808 -9.612 -3.225 112 HE1 HIS 15 HE1 HIS 15 -7.508 -6.477 -3.995 113 HE2 HIS 15 HE2 HIS 15 -7.199 -8.798 -3.005 114 H CYS 16 HN CYS 16 -1.270 -8.882 -2.666 115 HA CYS 16 HA CYS 16 1.437 -7.941 -2.720 116 1HB CYS 16 HB2 CYS 16 0.840 -7.437 -0.344 117 2HB CYS 16 HB1 CYS 16 -0.324 -8.771 -0.317 118 H PHE 17 HN PHE 17 2.638 -10.033 -2.844 119 HA PHE 17 HA PHE 17 0.958 -12.350 -3.382 120 1HB PHE 17 HB2 PHE 17 3.778 -11.661 -4.486 121 2HB PHE 17 HB1 PHE 17 2.776 -13.097 -4.900 122 HD1 PHE 17 HD1 PHE 17 4.094 -10.671 -6.566 123 HD2 PHE 17 HD2 PHE 17 0.066 -11.617 -5.355 124 HE1 PHE 17 HE1 PHE 17 3.204 -9.376 -8.471 125 HE2 PHE 17 HE2 PHE 17 -0.801 -10.320 -7.239 126 HZ PHE 17 HZ PHE 17 0.756 -9.182 -8.804 127 HA PRO 18 HA PRO 18 3.272 -12.493 0.510 128 1HB PRO 18 HB2 PRO 18 2.326 -15.415 0.303 129 2HB PRO 18 HB1 PRO 18 2.478 -14.417 1.808 130 1HG PRO 18 HG1 PRO 18 0.037 -14.656 0.579 131 2HG PRO 18 HG2 PRO 18 0.594 -13.022 1.144 132 1HD PRO 18 HD1 PRO 18 0.522 -14.095 -1.711 133 2HD PRO 18 HD2 PRO 18 0.301 -12.410 -1.079 134 H GLY 19 HN GLY 19 5.484 -12.317 0.205 135 1HA GLY 19 HA2 GLY 19 7.416 -14.057 -0.174 136 2HA GLY 19 HA1 GLY 19 6.647 -13.924 -1.831 137 H SER 20 HN SER 20 5.530 -11.454 -1.690 138 HA SER 20 HA SER 20 5.577 -9.369 -1.282 139 1HB SER 20 HB2 SER 20 8.139 -9.647 0.354 140 2HB SER 20 HB1 SER 20 6.982 -8.260 0.382 141 HG SER 20 HG SER 20 6.819 -10.078 1.998 142 H SER 21 HN SER 21 7.777 -10.818 -3.269 143 HA SER 21 HA SER 21 9.507 -8.943 -4.061 144 1HB SER 21 HB2 SER 21 7.977 -10.668 -6.089 145 2HB SER 21 HB1 SER 21 9.751 -10.354 -5.970 146 HG SER 21 HG SER 21 9.291 -12.422 -5.235 147 H GLY 22 HN GLY 22 6.080 -9.332 -4.914 148 1HA GLY 22 HA2 GLY 22 5.945 -7.294 -6.851 149 2HA GLY 22 HA1 GLY 22 4.588 -8.021 -5.905 150 H CYS 23 HN CYS 23 5.505 -7.302 -3.264 151 HA CYS 23 HA CYS 23 4.370 -4.703 -3.209 152 1HB CYS 23 HB2 CYS 23 5.787 -6.306 -0.979 153 2HB CYS 23 HB1 CYS 23 5.012 -4.711 -0.730 154 H ASP 24 HN ASP 24 7.658 -6.029 -2.691 155 HA ASP 24 HA ASP 24 8.907 -3.644 -2.047 156 1HB ASP 24 HB2 ASP 24 9.958 -5.960 -1.931 157 2HB ASP 24 HB1 ASP 24 10.062 -5.969 -3.723 158 H THR 25 HN THR 25 8.367 -5.149 -5.281 159 HA THR 25 HA THR 25 9.483 -3.139 -6.817 160 HB THR 25 HB THR 25 7.015 -4.761 -7.529 161 HG1 THR 25 HG1 THR 25 8.576 -6.238 -6.857 162 1HG2 THR 25 HG21 THR 25 7.655 -2.957 -9.191 163 2HG2 THR 25 HG22 THR 25 7.943 -4.592 -9.870 164 3HG2 THR 25 HG23 THR 25 9.329 -3.617 -9.259 165 H LEU 26 HN LEU 26 6.004 -3.519 -5.768 166 HA LEU 26 HA LEU 26 5.054 -1.251 -7.054 167 1HB LEU 26 HB2 LEU 26 4.121 -2.623 -4.468 168 2HB LEU 26 HB1 LEU 26 3.217 -1.276 -5.232 169 HG LEU 26 HG LEU 26 3.847 -3.900 -6.698 170 1HD1 LEU 26 HD11 LEU 26 1.331 -3.143 -5.092 171 2HD1 LEU 26 HD12 LEU 26 2.528 -4.426 -4.682 172 3HD1 LEU 26 HD13 LEU 26 1.511 -4.585 -6.154 173 1HD2 LEU 26 HD21 LEU 26 1.860 -3.135 -8.116 174 2HD2 LEU 26 HD22 LEU 26 3.368 -2.171 -8.295 175 3HD2 LEU 26 HD23 LEU 26 2.008 -1.519 -7.318 176 H CYS 27 HN CYS 27 6.348 -1.694 -3.740 177 HA CYS 27 HA CYS 27 5.849 0.874 -2.867 178 1HB CYS 27 HB2 CYS 27 6.680 -1.241 -1.545 179 2HB CYS 27 HB1 CYS 27 8.331 -0.695 -1.966 180 H LYS 28 HN LYS 28 8.699 -0.425 -4.691 181 HA LYS 28 HA LYS 28 10.153 2.003 -4.371 182 1HB LYS 28 HB2 LYS 28 10.440 -0.140 -6.557 183 2HB LYS 28 HB1 LYS 28 11.575 1.233 -6.309 184 1HG LYS 28 HG2 LYS 28 11.065 -1.073 -4.336 185 2HG LYS 28 HG1 LYS 28 12.490 -0.848 -5.394 186 1HD LYS 28 HD2 LYS 28 13.068 1.253 -4.127 187 2HD LYS 28 HD1 LYS 28 11.639 0.980 -3.060 188 1HE LYS 28 HE2 LYS 28 12.581 -1.228 -2.321 189 2HE LYS 28 HE1 LYS 28 14.038 -0.948 -3.360 190 1HZ LYS 28 HZ1 LYS 28 14.455 -0.360 -1.103 191 2HZ LYS 28 HZ2 LYS 28 13.148 0.720 -1.064 192 3HZ LYS 28 HZ3 LYS 28 14.486 1.040 -2.062 193 H GLU 29 HN GLU 29 7.872 0.850 -6.930 194 HA GLU 29 HA GLU 29 8.541 3.080 -8.579 195 1HB GLU 29 HB2 GLU 29 6.763 2.370 -10.094 196 2HB GLU 29 HB1 GLU 29 7.849 1.016 -9.630 197 1HG GLU 29 HG2 GLU 29 6.112 0.303 -7.924 198 2HG GLU 29 HG1 GLU 29 4.982 1.539 -8.587 199 H LYS 30 HN LYS 30 6.254 2.630 -5.949 200 HA LYS 30 HA LYS 30 4.827 5.071 -6.688 201 1HB LYS 30 HB2 LYS 30 4.616 3.273 -4.217 202 2HB LYS 30 HB1 LYS 30 3.569 4.694 -4.539 203 1HG LYS 30 HG2 LYS 30 3.803 2.200 -6.357 204 2HG LYS 30 HG1 LYS 30 2.535 2.432 -5.122 205 1HD LYS 30 HD2 LYS 30 2.962 4.257 -7.577 206 2HD LYS 30 HD1 LYS 30 1.824 2.869 -7.477 207 1HE LYS 30 HE2 LYS 30 0.610 3.985 -5.561 208 2HE LYS 30 HE1 LYS 30 1.694 5.425 -5.729 209 1HZ LYS 30 HZ1 LYS 30 0.912 5.656 -8.001 210 2HZ LYS 30 HZ2 LYS 30 -0.364 5.730 -6.881 211 3HZ LYS 30 HZ3 LYS 30 -0.125 4.325 -7.806 212 H GLY 31 HN GLY 31 7.425 3.975 -4.507 213 1HA GLY 31 HA2 GLY 31 9.196 5.441 -4.390 214 2HA GLY 31 HA1 GLY 31 8.070 6.840 -4.214 215 H GLY 32 HN GLY 32 8.085 3.622 -2.535 216 1HA GLY 32 HA2 GLY 32 8.738 5.053 -0.037 217 2HA GLY 32 HA1 GLY 32 7.807 3.511 -0.207 218 H THR 33 HN THR 33 10.606 4.262 1.081 219 HA THR 33 HA THR 33 12.390 2.903 -0.737 220 HB THR 33 HB THR 33 14.035 3.903 1.054 221 HG1 THR 33 HG1 THR 33 13.100 5.553 2.211 222 1HG2 THR 33 HG21 THR 33 12.209 5.685 -0.724 223 2HG2 THR 33 HG22 THR 33 13.695 4.815 -1.258 224 3HG2 THR 33 HG23 THR 33 13.820 6.161 -0.074 225 H SER 34 HN SER 34 10.254 1.776 1.543 226 HA SER 34 HA SER 34 11.725 -0.609 1.580 227 1HB SER 34 HB2 SER 34 11.113 0.794 4.281 228 2HB SER 34 HB1 SER 34 11.441 -0.972 4.128 229 HG SER 34 HG SER 34 13.257 0.795 2.936 230 H GLY 35 HN GLY 35 9.991 -2.342 2.037 231 1HA GLY 35 HA2 GLY 35 7.470 -1.500 2.724 232 2HA GLY 35 HA1 GLY 35 7.684 -1.736 0.908 233 H HIS 36 HN HIS 36 6.146 -3.640 2.311 234 HA HIS 36 HA HIS 36 7.715 -5.981 2.323 235 1HB HIS 36 HB2 HIS 36 6.655 -4.925 5.046 236 2HB HIS 36 HB1 HIS 36 7.323 -6.573 4.765 237 HD1 HIS 36 HD1 HIS 36 9.955 -6.600 4.073 238 HD2 HIS 36 HD2 HIS 36 8.541 -3.010 5.734 239 HE1 HIS 36 HE1 HIS 36 11.975 -5.244 4.773 240 HE2 HIS 36 HE2 HIS 36 11.081 -3.089 5.765 241 H CYS 37 HN CYS 37 5.534 -7.189 4.188 242 HA CYS 37 HA CYS 37 3.094 -6.323 3.186 243 1HB CYS 37 HB2 CYS 37 3.868 -7.818 1.232 244 2HB CYS 37 HB1 CYS 37 4.267 -9.097 2.404 245 H GLY 38 HN GLY 38 1.657 -7.928 4.551 246 1HA GLY 38 HA2 GLY 38 2.107 -9.665 6.359 247 2HA GLY 38 HA1 GLY 38 3.001 -8.255 7.105 248 H PHE 39 HN PHE 39 -0.153 -9.241 5.538 249 HA PHE 39 HA PHE 39 -1.510 -7.806 7.456 250 1HB PHE 39 HB2 PHE 39 -0.951 -5.995 5.515 251 2HB PHE 39 HB1 PHE 39 -2.127 -6.916 4.550 252 HD1 PHE 39 HD1 PHE 39 -2.496 -6.223 8.339 253 HD2 PHE 39 HD2 PHE 39 -3.710 -5.199 4.322 254 HE1 PHE 39 HE1 PHE 39 -4.322 -4.887 9.221 255 HE2 PHE 39 HE2 PHE 39 -5.427 -3.734 5.242 256 HZ PHE 39 HZ PHE 39 -5.775 -3.577 7.697 257 H LYS 40 HN LYS 40 -3.728 -8.398 7.182 258 HA LYS 40 HA LYS 40 -4.738 -9.760 5.006 259 1HB LYS 40 HB2 LYS 40 -4.887 -10.973 7.869 260 2HB LYS 40 HB1 LYS 40 -5.980 -11.432 6.528 261 1HG LYS 40 HG2 LYS 40 -2.935 -11.926 6.704 262 2HG LYS 40 HG1 LYS 40 -4.230 -13.142 6.951 263 1HD LYS 40 HD2 LYS 40 -3.517 -11.710 4.312 264 2HD LYS 40 HD1 LYS 40 -3.173 -13.415 4.766 265 1HE LYS 40 HE2 LYS 40 -5.649 -13.902 4.868 266 2HE LYS 40 HE1 LYS 40 -5.994 -12.206 4.333 267 1HZ LYS 40 HZ1 LYS 40 -6.042 -13.732 2.520 268 2HZ LYS 40 HZ2 LYS 40 -4.451 -14.243 2.822 269 3HZ LYS 40 HZ3 LYS 40 -4.751 -12.645 2.327 270 H VAL 41 HN VAL 41 -7.279 -9.345 5.746 271 HA VAL 41 HA VAL 41 -8.781 -8.001 6.531 272 HB VAL 41 HB VAL 41 -6.774 -6.860 8.469 273 1HG1 VAL 41 HG11 VAL 41 -8.876 -6.187 9.781 274 2HG1 VAL 41 HG12 VAL 41 -9.787 -6.324 8.225 275 3HG1 VAL 41 HG13 VAL 41 -8.409 -5.147 8.417 276 1HG2 VAL 41 HG21 VAL 41 -8.032 -8.319 10.113 277 2HG2 VAL 41 HG22 VAL 41 -7.197 -9.270 8.848 278 3HG2 VAL 41 HG23 VAL 41 -8.978 -9.010 8.745 279 H GLY 42 HN GLY 42 -8.660 -5.146 6.739 280 1HA GLY 42 HA2 GLY 42 -8.174 -3.292 5.559 281 2HA GLY 42 HA1 GLY 42 -7.242 -4.273 4.356 282 H HIS 43 HN HIS 43 -8.286 -5.435 2.820 283 HA HIS 43 HA HIS 43 -11.138 -5.173 2.444 284 1HB HIS 43 HB2 HIS 43 -9.034 -4.367 0.326 285 2HB HIS 43 HB1 HIS 43 -10.748 -4.645 -0.043 286 HD1 HIS 43 HD1 HIS 43 -9.636 -2.023 -0.825 287 HD2 HIS 43 HD2 HIS 43 -11.304 -2.586 2.985 288 HE1 HIS 43 HE1 HIS 43 -10.179 0.274 0.123 289 HE2 HIS 43 HE2 HIS 43 -11.189 -0.125 2.402 290 H GLY 44 HN GLY 44 -7.842 -6.262 1.098 291 1HA GLY 44 HA2 GLY 44 -8.541 -8.892 1.926 292 2HA GLY 44 HA1 GLY 44 -8.603 -8.627 0.132 293 H LEU 45 HN LEU 45 -6.556 -7.633 2.946 294 HA LEU 45 HA LEU 45 -4.540 -7.594 3.339 295 1HB LEU 45 HB2 LEU 45 -3.332 -9.312 3.170 296 2HB LEU 45 HB1 LEU 45 -4.544 -10.014 2.078 297 HG LEU 45 HG LEU 45 -2.036 -8.490 1.122 298 1HD1 LEU 45 HD11 LEU 45 -1.004 -10.715 0.734 299 2HD1 LEU 45 HD12 LEU 45 -2.427 -11.519 1.497 300 3HD1 LEU 45 HD13 LEU 45 -1.363 -10.440 2.476 301 1HD2 LEU 45 HD21 LEU 45 -3.956 -10.386 -0.384 302 2HD2 LEU 45 HD22 LEU 45 -2.409 -9.734 -1.030 303 3HD2 LEU 45 HD23 LEU 45 -3.772 -8.614 -0.656 304 H ALA 46 HN ALA 46 -2.157 -6.614 2.269 305 HA ALA 46 HA ALA 46 -2.816 -4.817 0.191 306 1HB ALA 46 HB1 ALA 46 -3.908 -3.577 2.160 307 2HB ALA 46 HB2 ALA 46 -2.457 -2.711 1.547 308 3HB ALA 46 HB3 ALA 46 -2.357 -3.698 3.053 309 H CYS 47 HN CYS 47 -0.549 -3.122 0.472 310 HA CYS 47 HA CYS 47 1.568 -5.133 1.088 311 1HB CYS 47 HB2 CYS 47 1.448 -2.883 -0.990 312 2HB CYS 47 HB1 CYS 47 3.021 -3.426 -0.323 313 H TRP 48 HN TRP 48 3.536 -3.886 2.102 314 HA TRP 48 HA TRP 48 2.433 -1.682 3.743 315 1HB TRP 48 HB2 TRP 48 2.995 -3.576 5.198 316 2HB TRP 48 HB1 TRP 48 4.557 -3.809 4.345 317 HD1 TRP 48 HD1 TRP 48 6.620 -2.268 5.039 318 HE1 TRP 48 HE1 TRP 48 6.989 -0.351 6.652 319 HE3 TRP 48 HE3 TRP 48 1.823 -1.829 6.705 320 HZ2 TRP 48 HZ2 TRP 48 5.376 1.165 8.536 321 HZ3 TRP 48 HZ3 TRP 48 1.282 -0.129 8.398 322 HH2 TRP 48 HH2 TRP 48 3.044 1.364 9.300 323 H CYS 49 HN CYS 49 3.912 0.233 3.962 324 HA CYS 49 HA CYS 49 6.350 0.125 2.449 325 1HB CYS 49 HB2 CYS 49 4.036 1.987 1.765 326 2HB CYS 49 HB1 CYS 49 5.733 2.518 1.529 327 H ASN 50 HN ASN 50 7.817 1.742 3.182 328 HA ASN 50 HA ASN 50 6.829 3.434 5.379 329 1HB ASN 50 HB2 ASN 50 9.628 2.182 4.945 330 2HB ASN 50 HB1 ASN 50 9.334 3.557 6.064 331 1HD2 ASN 50 HD22 ASN 50 8.119 3.204 8.035 332 2HD2 ASN 50 HD21 ASN 50 7.917 1.603 8.667 333 H ALA 51 HN ALA 51 7.331 5.583 5.083 334 HA ALA 51 HA ALA 51 8.162 7.397 4.387 335 1HB ALA 51 HB1 ALA 51 10.410 5.818 3.050 336 2HB ALA 51 HB2 ALA 51 10.438 6.468 4.729 337 3HB ALA 51 HB3 ALA 51 10.399 7.599 3.323 338 H LEU 52 HN LEU 52 6.019 6.864 3.136 339 HA LEU 52 HA LEU 52 6.537 7.074 0.247 340 1HB LEU 52 HB2 LEU 52 3.925 6.743 1.842 341 2HB LEU 52 HB1 LEU 52 3.951 7.151 0.096 342 HG LEU 52 HG LEU 52 5.262 4.638 1.248 343 1HD1 LEU 52 HD11 LEU 52 2.852 4.534 1.749 344 2HD1 LEU 52 HD12 LEU 52 3.222 3.427 0.377 345 3HD1 LEU 52 HD13 LEU 52 2.433 5.009 0.055 346 1HD2 LEU 52 HD21 LEU 52 4.394 5.219 -1.664 347 2HD2 LEU 52 HD22 LEU 52 5.303 3.793 -1.047 348 3HD2 LEU 52 HD23 LEU 52 6.054 5.424 -1.043 349 HA PRO 53 HA PRO 53 5.910 11.404 1.254 350 1HB PRO 53 HB2 PRO 53 5.732 12.521 -1.312 351 2HB PRO 53 HB1 PRO 53 7.275 11.937 -0.581 352 1HG PRO 53 HG1 PRO 53 5.454 10.462 -2.547 353 2HG PRO 53 HG2 PRO 53 7.254 10.623 -2.581 354 1HD PRO 53 HD1 PRO 53 5.892 8.400 -1.538 355 2HD PRO 53 HD2 PRO 53 7.496 8.929 -0.901 356 H ASP 54 HN ASP 54 4.279 13.204 0.724 357 HA ASP 54 HA ASP 54 1.844 12.208 1.524 358 1HB ASP 54 HB2 ASP 54 2.578 14.951 0.363 359 2HB ASP 54 HB1 ASP 54 1.064 14.601 1.299 360 H ASN 55 HN ASN 55 2.963 12.613 -1.746 361 HA ASN 55 HA ASN 55 0.356 13.127 -2.828 362 1HB ASN 55 HB2 ASN 55 1.425 12.771 -5.071 363 2HB ASN 55 HB1 ASN 55 2.296 13.986 -4.083 364 1HD2 ASN 55 HD22 ASN 55 2.577 10.827 -5.660 365 2HD2 ASN 55 HD21 ASN 55 4.246 10.564 -5.262 366 H VAL 56 HN VAL 56 1.743 10.374 -1.426 367 HA VAL 56 HA VAL 56 0.415 8.554 -3.297 368 HB VAL 56 HB VAL 56 2.099 7.752 -0.879 369 1HG1 VAL 56 HG11 VAL 56 2.388 5.677 -2.296 370 2HG1 VAL 56 HG12 VAL 56 1.353 6.407 -3.574 371 3HG1 VAL 56 HG13 VAL 56 0.655 6.007 -1.955 372 1HG2 VAL 56 HG21 VAL 56 3.554 9.277 -2.120 373 2HG2 VAL 56 HG22 VAL 56 3.087 8.557 -3.695 374 3HG2 VAL 56 HG23 VAL 56 4.053 7.609 -2.497 375 H GLY 57 HN GLY 57 -1.609 7.701 -2.591 376 1HA GLY 57 HA2 GLY 57 -2.393 8.479 0.133 377 2HA GLY 57 HA1 GLY 57 -3.482 8.182 -1.303 378 H ILE 58 HN ILE 58 -3.782 6.718 1.210 379 HA ILE 58 HA ILE 58 -2.659 4.115 0.551 380 HB ILE 58 HB ILE 58 -1.912 3.908 2.941 381 1HG1 ILE 58 HG12 ILE 58 -2.262 6.984 2.984 382 2HG1 ILE 58 HG11 ILE 58 -3.264 5.808 3.907 383 1HG2 ILE 58 HG21 ILE 58 -0.451 6.148 1.417 384 2HG2 ILE 58 HG22 ILE 58 -0.446 4.426 0.888 385 3HG2 ILE 58 HG23 ILE 58 0.242 4.871 2.483 386 1HD1 ILE 58 HD11 ILE 58 -1.491 6.771 5.345 387 2HD1 ILE 58 HD12 ILE 58 -0.214 6.215 4.201 388 3HD1 ILE 58 HD13 ILE 58 -1.211 5.005 5.095 389 H ILE 59 HN ILE 59 -3.593 3.084 3.179 390 HA ILE 59 HA ILE 59 -6.284 2.652 2.385 391 HB ILE 59 HB ILE 59 -5.278 1.909 5.168 392 1HG1 ILE 59 HG12 ILE 59 -3.386 1.321 3.649 393 2HG1 ILE 59 HG11 ILE 59 -4.153 0.026 4.603 394 1HG2 ILE 59 HG21 ILE 59 -6.778 -0.061 4.725 395 2HG2 ILE 59 HG22 ILE 59 -7.137 0.566 3.074 396 3HG2 ILE 59 HG23 ILE 59 -7.661 1.492 4.525 397 1HD1 ILE 59 HD11 ILE 59 -3.515 -0.495 2.110 398 2HD1 ILE 59 HD12 ILE 59 -5.026 0.415 1.711 399 3HD1 ILE 59 HD13 ILE 59 -5.110 -1.025 2.764 400 H VAL 60 HN VAL 60 -7.956 3.967 3.009 401 HA VAL 60 HA VAL 60 -7.310 6.091 4.929 402 HB VAL 60 HB VAL 60 -9.688 5.767 3.032 403 1HG1 VAL 60 HG11 VAL 60 -10.208 7.235 4.972 404 2HG1 VAL 60 HG12 VAL 60 -10.009 8.200 3.460 405 3HG1 VAL 60 HG13 VAL 60 -8.677 8.162 4.680 406 1HG2 VAL 60 HG21 VAL 60 -8.404 7.515 1.688 407 2HG2 VAL 60 HG22 VAL 60 -7.535 5.951 1.763 408 3HG2 VAL 60 HG23 VAL 60 -7.014 7.320 2.811 409 H GLU 61 HN GLU 61 -9.729 3.431 4.337 410 HA GLU 61 HA GLU 61 -10.198 3.194 7.111 411 1HB GLU 61 HB2 GLU 61 -11.779 5.152 6.466 412 2HB GLU 61 HB1 GLU 61 -12.477 4.113 5.195 413 1HG GLU 61 HG2 GLU 61 -13.339 2.536 6.976 414 2HG GLU 61 HG1 GLU 61 -12.579 3.576 8.243 415 H GLY 62 HN GLY 62 -11.545 1.042 7.148 416 1HA GLY 62 HA2 GLY 62 -11.013 -0.491 4.721 417 2HA GLY 62 HA1 GLY 62 -11.640 -1.052 6.322 418 H GLU 63 HN GLU 63 -12.597 1.427 3.952 419 HA GLU 63 HA GLU 63 -15.395 0.860 4.480 420 1HB GLU 63 HB2 GLU 63 -14.497 3.212 4.570 421 2HB GLU 63 HB1 GLU 63 -14.106 3.148 2.834 422 1HG GLU 63 HG2 GLU 63 -16.951 2.711 3.985 423 2HG GLU 63 HG1 GLU 63 -16.293 4.346 3.623 424 H LYS 64 HN LYS 64 -13.362 1.561 1.502 425 HA LYS 64 HA LYS 64 -14.008 -0.775 0.285 426 1HB LYS 64 HB2 LYS 64 -16.340 0.640 0.122 427 2HB LYS 64 HB1 LYS 64 -15.464 1.541 -1.141 428 1HG LYS 64 HG2 LYS 64 -15.109 -0.767 -2.318 429 2HG LYS 64 HG1 LYS 64 -16.029 -1.502 -0.970 430 1HD LYS 64 HD2 LYS 64 -17.548 -1.257 -2.831 431 2HD LYS 64 HD1 LYS 64 -18.028 -0.093 -1.551 432 1HE LYS 64 HE2 LYS 64 -18.205 0.949 -3.802 433 2HE LYS 64 HE1 LYS 64 -16.915 1.780 -2.847 434 1HZ LYS 64 HZ1 LYS 64 -16.457 -0.352 -4.871 435 2HZ LYS 64 HZ2 LYS 64 -15.274 0.528 -4.022 436 3HZ LYS 64 HZ3 LYS 64 -16.287 1.321 -5.124 437 H CYS 65 HN CYS 65 -13.727 0.614 -2.332 438 HA CYS 65 HA CYS 65 -11.124 1.887 -1.972 439 1HB CYS 65 HB2 CYS 65 -10.877 -0.461 -2.938 440 2HB CYS 65 HB1 CYS 65 -12.142 -0.087 -4.142 441 H HIS 66 HN HIS 66 -10.910 3.603 -3.737 442 HA HIS 66 HA HIS 66 -13.041 3.749 -5.598 443 1HB HIS 66 HB2 HIS 66 -13.295 6.380 -5.072 444 2HB HIS 66 HB1 HIS 66 -14.362 5.171 -4.295 445 HD1 HIS 66 HD1 HIS 66 -11.192 7.077 -3.384 446 HD2 HIS 66 HD2 HIS 66 -14.511 5.246 -1.599 447 HE1 HIS 66 HE1 HIS 66 -11.097 7.612 -0.907 448 HE2 HIS 66 HE2 HIS 66 -13.140 6.514 0.128 449 H SER 67 HN SER 67 -12.108 4.694 -7.505 450 HA SER 67 HA SER 67 -9.304 4.598 -7.351 451 1HB SER 67 HB2 SER 67 -11.062 5.379 -9.757 452 2HB SER 67 HB1 SER 67 -9.414 4.646 -9.782 453 HG SER 67 HG SER 67 -11.104 3.145 -10.160 454 1HN NH2 68 H1 NH2 68 -8.026 6.395 -6.921 455 2HN NH2 68 H2 NH2 68 -8.408 8.032 -7.405 Start of MODEL 25 1 1H VAL 1 HT1 VAL 1 7.743 11.716 6.919 2 2H VAL 1 HT2 VAL 1 6.573 12.625 6.093 3 3H VAL 1 HT3 VAL 1 8.099 12.366 5.387 4 HA VAL 1 HA VAL 1 6.372 11.019 4.423 5 HB VAL 1 HB VAL 1 7.511 8.768 4.662 6 1HG1 VAL 1 HG11 VAL 1 9.397 11.183 4.281 7 2HG1 VAL 1 HG12 VAL 1 8.310 10.470 3.034 8 3HG1 VAL 1 HG13 VAL 1 9.663 9.499 3.699 9 1HG2 VAL 1 HG21 VAL 1 9.509 8.554 6.100 10 2HG2 VAL 1 HG22 VAL 1 8.081 8.925 7.120 11 3HG2 VAL 1 HG23 VAL 1 9.284 10.216 6.748 12 H ARG 2 HN ARG 2 5.253 8.796 4.694 13 HA ARG 2 HA ARG 2 4.166 8.496 7.423 14 1HB ARG 2 HB2 ARG 2 2.097 7.534 6.427 15 2HB ARG 2 HB1 ARG 2 2.328 9.236 5.946 16 1HG ARG 2 HG2 ARG 2 3.620 7.514 3.972 17 2HG ARG 2 HG1 ARG 2 1.963 6.909 4.231 18 1HD ARG 2 HD2 ARG 2 2.572 9.895 3.638 19 2HD ARG 2 HD1 ARG 2 2.434 8.652 2.347 20 HE ARG 2 HE ARG 2 0.118 8.469 2.670 21 1HH1 ARG 2 HH21 ARG 2 1.492 10.781 5.036 22 2HH1 ARG 2 HH22 ARG 2 -0.056 11.408 5.496 23 1HH2 ARG 2 HH11 ARG 2 -1.915 9.267 3.351 24 2HH2 ARG 2 HH12 ARG 2 -2.021 10.542 4.519 25 H ASP 3 HN ASP 3 3.319 6.019 7.585 26 HA ASP 3 HA ASP 3 4.819 4.240 5.927 27 1HB ASP 3 HB2 ASP 3 4.534 3.855 9.005 28 2HB ASP 3 HB1 ASP 3 5.403 2.786 7.850 29 H GLY 4 HN GLY 4 3.074 2.533 5.518 30 1HA GLY 4 HA2 GLY 4 0.919 2.476 7.292 31 2HA GLY 4 HA1 GLY 4 0.528 3.324 5.721 32 H TYR 5 HN TYR 5 -0.800 1.008 5.914 33 HA TYR 5 HA TYR 5 0.639 -0.945 4.345 34 1HB TYR 5 HB2 TYR 5 -2.344 -0.464 4.946 35 2HB TYR 5 HB1 TYR 5 -1.752 -1.790 3.888 36 HD1 TYR 5 HD1 TYR 5 -2.319 -0.597 7.300 37 HD2 TYR 5 HD2 TYR 5 -0.345 -3.578 4.906 38 HE1 TYR 5 HE1 TYR 5 -2.247 -2.105 9.252 39 HE2 TYR 5 HE2 TYR 5 -0.230 -5.058 6.887 40 HH TYR 5 HH TYR 5 -1.801 -5.425 8.793 41 H ILE 6 HN ILE 6 0.537 -0.812 1.986 42 HA ILE 6 HA ILE 6 -0.211 1.891 1.142 43 HB ILE 6 HB ILE 6 2.077 1.387 0.677 44 1HG1 ILE 6 HG12 ILE 6 0.343 1.620 -1.862 45 2HG1 ILE 6 HG11 ILE 6 0.839 2.953 -0.772 46 1HG2 ILE 6 HG21 ILE 6 0.970 -0.928 -1.025 47 2HG2 ILE 6 HG22 ILE 6 2.008 -1.030 0.459 48 3HG2 ILE 6 HG23 ILE 6 2.670 -0.350 -1.051 49 1HD1 ILE 6 HD11 ILE 6 2.636 1.242 -2.610 50 2HD1 ILE 6 HD12 ILE 6 3.299 2.347 -1.345 51 3HD1 ILE 6 HD13 ILE 6 2.300 3.006 -2.689 52 H ALA 7 HN ALA 7 -1.637 2.272 -0.265 53 HA ALA 7 HA ALA 7 -3.596 0.293 -1.003 54 1HB ALA 7 HB1 ALA 7 -5.154 2.122 -1.420 55 2HB ALA 7 HB2 ALA 7 -3.820 3.341 -1.290 56 3HB ALA 7 HB3 ALA 7 -4.385 2.413 0.148 57 H GLN 8 HN GLN 8 -4.685 2.085 -3.107 58 HA GLN 8 HA GLN 8 -2.873 2.290 -5.215 59 1HB GLN 8 HB2 GLN 8 -5.387 0.437 -5.227 60 2HB GLN 8 HB1 GLN 8 -4.657 1.075 -6.737 61 1HG GLN 8 HG2 GLN 8 -2.550 -0.151 -6.310 62 2HG GLN 8 HG1 GLN 8 -3.192 -0.739 -4.739 63 1HE2 GLN 8 HE22 GLN 8 -5.284 -2.051 -4.834 64 2HE2 GLN 8 HE21 GLN 8 -5.638 -2.982 -6.268 65 HA PRO 9 HA PRO 9 -6.044 5.412 -5.130 66 1HB PRO 9 HB2 PRO 9 -6.764 5.861 -7.855 67 2HB PRO 9 HB1 PRO 9 -5.277 6.494 -7.057 68 1HG PRO 9 HG1 PRO 9 -5.573 3.932 -8.714 69 2HG PRO 9 HG2 PRO 9 -4.294 5.210 -8.853 70 1HD PRO 9 HD1 PRO 9 -3.835 2.899 -7.462 71 2HD PRO 9 HD2 PRO 9 -3.257 4.481 -6.766 72 H GLU 10 HN GLU 10 -9.438 4.223 -5.528 73 HA GLU 10 HA GLU 10 -7.927 6.698 -5.319 74 1HB GLU 10 HB2 GLU 10 -10.745 5.852 -4.454 75 2HB GLU 10 HB1 GLU 10 -10.074 7.494 -4.180 76 1HG GLU 10 HG2 GLU 10 -10.511 6.167 -6.937 77 2HG GLU 10 HG1 GLU 10 -11.616 7.358 -6.169 78 H ASN 11 HN ASN 11 -9.374 4.065 -3.265 79 HA ASN 11 HA ASN 11 -7.397 4.327 -1.341 80 1HB ASN 11 HB2 ASN 11 -9.134 5.814 -0.175 81 2HB ASN 11 HB1 ASN 11 -10.443 4.701 -0.714 82 1HD2 ASN 11 HD22 ASN 11 -11.086 3.171 0.896 83 2HD2 ASN 11 HD21 ASN 11 -10.115 2.867 2.324 84 H CYS 12 HN CYS 12 -7.386 2.032 -0.763 85 HA CYS 12 HA CYS 12 -9.165 0.106 -1.355 86 1HB CYS 12 HB2 CYS 12 -7.224 0.723 -3.689 87 2HB CYS 12 HB1 CYS 12 -7.715 -0.968 -3.378 88 H VAL 13 HN VAL 13 -6.913 -1.783 -1.992 89 HA VAL 13 HA VAL 13 -4.882 -0.980 -0.119 90 HB VAL 13 HB VAL 13 -4.508 -3.513 0.174 91 1HG1 VAL 13 HG11 VAL 13 -6.054 -3.598 2.149 92 2HG1 VAL 13 HG12 VAL 13 -6.861 -2.084 1.559 93 3HG1 VAL 13 HG13 VAL 13 -5.127 -2.077 2.057 94 1HG2 VAL 13 HG21 VAL 13 -6.225 -4.205 -1.586 95 2HG2 VAL 13 HG22 VAL 13 -7.533 -3.636 -0.477 96 3HG2 VAL 13 HG23 VAL 13 -6.442 -4.990 0.010 97 H TYR 14 HN TYR 14 -2.793 -1.936 -0.999 98 HA TYR 14 HA TYR 14 -2.988 -2.545 -3.802 99 1HB TYR 14 HB2 TYR 14 -0.805 -1.575 -2.174 100 2HB TYR 14 HB1 TYR 14 -0.322 -3.182 -2.633 101 HD1 TYR 14 HD1 TYR 14 0.614 -0.258 -3.560 102 HD2 TYR 14 HD2 TYR 14 -1.564 -3.475 -5.425 103 HE1 TYR 14 HE1 TYR 14 1.303 0.548 -5.782 104 HE2 TYR 14 HE2 TYR 14 -0.902 -2.677 -7.615 105 HH TYR 14 HH TYR 14 0.206 -1.078 -8.790 106 H HIS 15 HN HIS 15 -0.976 -4.810 -3.766 107 HA HIS 15 HA HIS 15 -2.022 -6.582 -1.836 108 1HB HIS 15 HB2 HIS 15 -2.156 -7.205 -4.870 109 2HB HIS 15 HB1 HIS 15 -2.045 -8.468 -3.590 110 HD1 HIS 15 HD1 HIS 15 -4.469 -5.782 -4.801 111 HD2 HIS 15 HD2 HIS 15 -4.318 -8.948 -2.051 112 HE1 HIS 15 HE1 HIS 15 -6.799 -6.058 -3.834 113 HE2 HIS 15 HE2 HIS 15 -6.658 -7.956 -2.176 114 H CYS 16 HN CYS 16 -0.289 -8.444 -2.230 115 HA CYS 16 HA CYS 16 2.256 -7.272 -2.864 116 1HB CYS 16 HB2 CYS 16 1.775 -7.070 -0.296 117 2HB CYS 16 HB1 CYS 16 1.501 -8.826 -0.270 118 H PHE 17 HN PHE 17 3.563 -9.765 -2.455 119 HA PHE 17 HA PHE 17 1.794 -11.795 -3.517 120 1HB PHE 17 HB2 PHE 17 4.741 -11.131 -4.317 121 2HB PHE 17 HB1 PHE 17 3.825 -12.593 -4.820 122 HD1 PHE 17 HD1 PHE 17 4.206 -8.905 -5.256 123 HD2 PHE 17 HD2 PHE 17 1.924 -12.359 -6.430 124 HE1 PHE 17 HE1 PHE 17 3.299 -7.659 -7.178 125 HE2 PHE 17 HE2 PHE 17 1.050 -11.118 -8.374 126 HZ PHE 17 HZ PHE 17 1.729 -8.760 -8.748 127 HA PRO 18 HA PRO 18 3.617 -12.582 0.534 128 1HB PRO 18 HB2 PRO 18 3.069 -15.506 -0.258 129 2HB PRO 18 HB1 PRO 18 2.826 -14.742 1.364 130 1HG PRO 18 HG1 PRO 18 0.695 -15.007 -0.315 131 2HG PRO 18 HG2 PRO 18 0.955 -13.423 0.528 132 1HD PRO 18 HD1 PRO 18 1.579 -14.132 -2.374 133 2HD PRO 18 HD2 PRO 18 0.972 -12.584 -1.641 134 H GLY 19 HN GLY 19 5.574 -12.392 -1.498 135 1HA GLY 19 HA2 GLY 19 7.845 -13.294 -0.196 136 2HA GLY 19 HA1 GLY 19 7.555 -14.229 -1.764 137 H SER 20 HN SER 20 8.081 -11.020 -0.284 138 HA SER 20 HA SER 20 6.353 -9.729 -1.929 139 1HB SER 20 HB2 SER 20 8.551 -8.444 -0.221 140 2HB SER 20 HB1 SER 20 6.881 -7.832 -0.523 141 HG SER 20 HG SER 20 6.134 -9.687 0.644 142 H SER 21 HN SER 21 8.499 -10.767 -3.740 143 HA SER 21 HA SER 21 10.374 -8.703 -4.195 144 1HB SER 21 HB2 SER 21 10.705 -10.178 -6.397 145 2HB SER 21 HB1 SER 21 11.142 -10.846 -4.785 146 HG SER 21 HG SER 21 9.878 -12.285 -6.002 147 H GLY 22 HN GLY 22 7.240 -9.584 -5.647 148 1HA GLY 22 HA2 GLY 22 7.466 -7.737 -7.777 149 2HA GLY 22 HA1 GLY 22 5.953 -8.470 -7.121 150 H CYS 23 HN CYS 23 6.476 -7.409 -4.374 151 HA CYS 23 HA CYS 23 5.256 -4.852 -4.935 152 1HB CYS 23 HB2 CYS 23 4.312 -6.396 -3.127 153 2HB CYS 23 HB1 CYS 23 5.730 -5.930 -2.130 154 H ASP 24 HN ASP 24 8.461 -6.046 -4.332 155 HA ASP 24 HA ASP 24 9.557 -3.796 -3.111 156 1HB ASP 24 HB2 ASP 24 10.717 -6.062 -3.618 157 2HB ASP 24 HB1 ASP 24 10.899 -5.503 -5.313 158 H THR 25 HN THR 25 9.095 -4.610 -6.653 159 HA THR 25 HA THR 25 9.735 -2.120 -7.613 160 HB THR 25 HB THR 25 7.713 -3.123 -9.306 161 HG1 THR 25 HG1 THR 25 7.596 -5.047 -8.060 162 1HG2 THR 25 HG21 THR 25 10.001 -2.261 -9.920 163 2HG2 THR 25 HG22 THR 25 9.690 -3.875 -10.658 164 3HG2 THR 25 HG23 THR 25 10.753 -3.734 -9.204 165 H LEU 26 HN LEU 26 6.453 -3.365 -6.566 166 HA LEU 26 HA LEU 26 5.095 -1.142 -7.514 167 1HB LEU 26 HB2 LEU 26 4.335 -2.850 -5.069 168 2HB LEU 26 HB1 LEU 26 3.249 -1.747 -5.944 169 HG LEU 26 HG LEU 26 4.550 -4.242 -7.181 170 1HD1 LEU 26 HD11 LEU 26 2.968 -4.872 -5.383 171 2HD1 LEU 26 HD12 LEU 26 2.288 -5.279 -6.997 172 3HD1 LEU 26 HD13 LEU 26 1.695 -3.828 -6.104 173 1HD2 LEU 26 HD21 LEU 26 2.395 -2.338 -8.272 174 2HD2 LEU 26 HD22 LEU 26 2.858 -3.916 -9.011 175 3HD2 LEU 26 HD23 LEU 26 4.058 -2.580 -8.926 176 H CYS 27 HN CYS 27 6.488 -1.783 -4.281 177 HA CYS 27 HA CYS 27 5.504 0.553 -3.083 178 1HB CYS 27 HB2 CYS 27 6.456 -1.509 -1.903 179 2HB CYS 27 HB1 CYS 27 8.088 -0.975 -2.371 180 H LYS 28 HN LYS 28 8.584 -0.175 -4.871 181 HA LYS 28 HA LYS 28 9.706 2.341 -4.277 182 1HB LYS 28 HB2 LYS 28 10.388 0.220 -6.358 183 2HB LYS 28 HB1 LYS 28 11.291 1.777 -6.239 184 1HG LYS 28 HG2 LYS 28 11.945 1.359 -3.945 185 2HG LYS 28 HG1 LYS 28 10.925 -0.112 -3.844 186 1HD LYS 28 HD2 LYS 28 12.335 -1.341 -5.364 187 2HD LYS 28 HD1 LYS 28 13.223 0.135 -5.873 188 1HE LYS 28 HE2 LYS 28 14.568 -1.311 -4.295 189 2HE LYS 28 HE1 LYS 28 14.294 0.360 -3.661 190 1HZ LYS 28 HZ1 LYS 28 12.749 -2.064 -2.894 191 2HZ LYS 28 HZ2 LYS 28 12.532 -0.489 -2.287 192 3HZ LYS 28 HZ3 LYS 28 13.980 -1.318 -1.990 193 H GLU 29 HN GLU 29 7.710 1.217 -7.088 194 HA GLU 29 HA GLU 29 8.209 3.644 -8.484 195 1HB GLU 29 HB2 GLU 29 6.404 3.039 -10.020 196 2HB GLU 29 HB1 GLU 29 7.546 1.680 -9.746 197 1HG GLU 29 HG2 GLU 29 5.913 0.665 -8.138 198 2HG GLU 29 HG1 GLU 29 4.736 1.978 -8.470 199 H LYS 30 HN LYS 30 6.354 3.137 -5.665 200 HA LYS 30 HA LYS 30 4.744 5.546 -6.257 201 1HB LYS 30 HB2 LYS 30 4.497 3.471 -4.006 202 2HB LYS 30 HB1 LYS 30 3.450 4.918 -4.204 203 1HG LYS 30 HG2 LYS 30 3.672 2.553 -6.170 204 2HG LYS 30 HG1 LYS 30 2.345 2.836 -5.000 205 1HD LYS 30 HD2 LYS 30 1.797 5.004 -6.180 206 2HD LYS 30 HD1 LYS 30 3.047 4.628 -7.419 207 1HE LYS 30 HE2 LYS 30 0.573 2.875 -6.790 208 2HE LYS 30 HE1 LYS 30 0.732 4.005 -8.196 209 1HZ LYS 30 HZ1 LYS 30 2.644 1.803 -7.682 210 2HZ LYS 30 HZ2 LYS 30 2.413 2.696 -9.104 211 3HZ LYS 30 HZ3 LYS 30 1.227 1.594 -8.587 212 H GLY 31 HN GLY 31 7.749 4.719 -5.173 213 1HA GLY 31 HA2 GLY 31 9.246 5.981 -4.190 214 2HA GLY 31 HA1 GLY 31 7.978 7.202 -3.799 215 H GLY 32 HN GLY 32 7.698 3.762 -2.803 216 1HA GLY 32 HA2 GLY 32 8.111 4.601 -0.028 217 2HA GLY 32 HA1 GLY 32 7.362 3.087 -0.679 218 H THR 33 HN THR 33 9.799 3.560 1.201 219 HA THR 33 HA THR 33 11.979 3.073 -0.682 220 HB THR 33 HB THR 33 12.152 3.658 2.308 221 HG1 THR 33 HG1 THR 33 11.027 5.310 1.067 222 1HG2 THR 33 HG21 THR 33 14.230 2.708 1.189 223 2HG2 THR 33 HG22 THR 33 14.453 4.428 1.660 224 3HG2 THR 33 HG23 THR 33 14.139 4.002 -0.062 225 H SER 34 HN SER 34 10.609 1.681 2.421 226 HA SER 34 HA SER 34 11.801 -0.894 1.577 227 1HB SER 34 HB2 SER 34 10.638 -0.220 4.350 228 2HB SER 34 HB1 SER 34 11.611 -1.659 3.883 229 HG SER 34 HG SER 34 13.364 -0.195 3.547 230 H GLY 35 HN GLY 35 10.102 -2.714 1.476 231 1HA GLY 35 HA2 GLY 35 7.484 -2.006 2.151 232 2HA GLY 35 HA1 GLY 35 7.839 -2.144 0.353 233 H HIS 36 HN HIS 36 6.261 -4.144 1.974 234 HA HIS 36 HA HIS 36 7.565 -6.467 1.302 235 1HB HIS 36 HB2 HIS 36 7.724 -7.401 3.720 236 2HB HIS 36 HB1 HIS 36 9.044 -6.302 3.229 237 HD1 HIS 36 HD1 HIS 36 5.809 -6.071 5.278 238 HD2 HIS 36 HD2 HIS 36 9.520 -4.151 4.835 239 HE1 HIS 36 HE1 HIS 36 6.017 -4.391 7.156 240 HE2 HIS 36 HE2 HIS 36 8.251 -3.235 6.839 241 H CYS 37 HN CYS 37 5.815 -8.143 2.688 242 HA CYS 37 HA CYS 37 3.334 -6.932 1.847 243 1HB CYS 37 HB2 CYS 37 3.719 -9.617 3.285 244 2HB CYS 37 HB1 CYS 37 2.234 -9.063 2.451 245 H GLY 38 HN GLY 38 1.248 -7.378 3.342 246 1HA GLY 38 HA2 GLY 38 1.630 -7.329 6.058 247 2HA GLY 38 HA1 GLY 38 1.241 -5.678 5.348 248 H PHE 39 HN PHE 39 -0.837 -7.124 6.797 249 HA PHE 39 HA PHE 39 -2.631 -7.799 4.616 250 1HB PHE 39 HB2 PHE 39 -1.883 -9.906 6.047 251 2HB PHE 39 HB1 PHE 39 -2.710 -9.119 7.431 252 HD1 PHE 39 HD1 PHE 39 -5.215 -8.728 7.283 253 HD2 PHE 39 HD2 PHE 39 -3.081 -10.924 4.264 254 HE1 PHE 39 HE1 PHE 39 -7.337 -9.701 6.490 255 HE2 PHE 39 HE2 PHE 39 -5.204 -11.895 3.467 256 HZ PHE 39 HZ PHE 39 -7.340 -11.319 4.601 257 H LYS 40 HN LYS 40 -4.510 -6.532 4.890 258 HA LYS 40 HA LYS 40 -4.502 -4.744 7.235 259 1HB LYS 40 HB2 LYS 40 -3.942 -3.397 5.232 260 2HB LYS 40 HB1 LYS 40 -5.245 -4.213 4.298 261 1HG LYS 40 HG2 LYS 40 -5.880 -1.932 4.914 262 2HG LYS 40 HG1 LYS 40 -6.991 -3.139 5.641 263 1HD LYS 40 HD2 LYS 40 -5.791 -2.871 7.858 264 2HD LYS 40 HD1 LYS 40 -4.692 -1.679 7.087 265 1HE LYS 40 HE2 LYS 40 -6.460 -0.518 8.384 266 2HE LYS 40 HE1 LYS 40 -6.677 -0.174 6.619 267 1HZ LYS 40 HZ1 LYS 40 -8.394 -1.833 6.544 268 2HZ LYS 40 HZ2 LYS 40 -8.736 -0.689 7.754 269 3HZ LYS 40 HZ3 LYS 40 -8.166 -2.230 8.177 270 H VAL 41 HN VAL 41 -6.074 -5.707 8.481 271 HA VAL 41 HA VAL 41 -7.866 -7.496 7.348 272 HB VAL 41 HB VAL 41 -8.622 -6.451 10.042 273 1HG1 VAL 41 HG11 VAL 41 -7.839 -9.232 8.915 274 2HG1 VAL 41 HG12 VAL 41 -9.514 -8.562 8.986 275 3HG1 VAL 41 HG13 VAL 41 -8.616 -8.901 10.505 276 1HG2 VAL 41 HG21 VAL 41 -6.215 -5.985 10.264 277 2HG2 VAL 41 HG22 VAL 41 -5.786 -7.602 9.557 278 3HG2 VAL 41 HG23 VAL 41 -6.612 -7.486 11.145 279 H GLY 42 HN GLY 42 -10.100 -7.339 6.907 280 1HA GLY 42 HA2 GLY 42 -12.113 -6.193 6.874 281 2HA GLY 42 HA1 GLY 42 -11.229 -4.617 6.962 282 H HIS 43 HN HIS 43 -9.079 -5.538 5.143 283 HA HIS 43 HA HIS 43 -10.623 -5.243 2.640 284 1HB HIS 43 HB2 HIS 43 -7.718 -4.512 3.318 285 2HB HIS 43 HB1 HIS 43 -8.429 -4.455 1.668 286 HD1 HIS 43 HD1 HIS 43 -9.542 -2.315 1.044 287 HD2 HIS 43 HD2 HIS 43 -8.983 -2.593 5.195 288 HE1 HIS 43 HE1 HIS 43 -10.037 -0.037 2.017 289 HE2 HIS 43 HE2 HIS 43 -9.738 -0.255 4.524 290 H GLY 44 HN GLY 44 -7.393 -6.641 3.790 291 1HA GLY 44 HA2 GLY 44 -7.686 -9.167 3.390 292 2HA GLY 44 HA1 GLY 44 -7.687 -8.575 1.670 293 H LEU 45 HN LEU 45 -5.626 -9.461 1.200 294 HA LEU 45 HA LEU 45 -3.286 -8.811 2.661 295 1HB LEU 45 HB2 LEU 45 -3.518 -10.772 1.000 296 2HB LEU 45 HB1 LEU 45 -3.682 -9.558 -0.303 297 HG LEU 45 HG LEU 45 -1.323 -8.730 0.295 298 1HD1 LEU 45 HD11 LEU 45 0.219 -10.301 1.428 299 2HD1 LEU 45 HD12 LEU 45 -1.138 -11.416 1.816 300 3HD1 LEU 45 HD13 LEU 45 -1.062 -9.775 2.574 301 1HD2 LEU 45 HD21 LEU 45 -1.802 -10.115 -1.706 302 2HD2 LEU 45 HD22 LEU 45 -1.647 -11.625 -0.729 303 3HD2 LEU 45 HD23 LEU 45 -0.217 -10.562 -0.981 304 H ALA 46 HN ALA 46 -1.847 -6.969 2.246 305 HA ALA 46 HA ALA 46 -2.959 -4.966 0.410 306 1HB ALA 46 HB1 ALA 46 -1.882 -4.494 3.266 307 2HB ALA 46 HB2 ALA 46 -3.595 -4.303 2.756 308 3HB ALA 46 HB3 ALA 46 -2.355 -3.190 2.096 309 H CYS 47 HN CYS 47 -0.590 -3.167 0.836 310 HA CYS 47 HA CYS 47 1.522 -5.191 1.159 311 1HB CYS 47 HB2 CYS 47 1.489 -4.731 -1.313 312 2HB CYS 47 HB1 CYS 47 1.662 -2.992 -0.974 313 H TRP 48 HN TRP 48 3.568 -3.657 1.947 314 HA TRP 48 HA TRP 48 2.386 -1.490 3.505 315 1HB TRP 48 HB2 TRP 48 2.493 -3.426 5.075 316 2HB TRP 48 HB1 TRP 48 4.145 -3.819 4.483 317 HD1 TRP 48 HD1 TRP 48 6.131 -2.071 5.163 318 HE1 TRP 48 HE1 TRP 48 6.487 -0.566 7.160 319 HE3 TRP 48 HE3 TRP 48 1.352 -2.145 6.891 320 HZ2 TRP 48 HZ2 TRP 48 4.818 0.559 9.266 321 HZ3 TRP 48 HZ3 TRP 48 0.780 -0.869 8.930 322 HH2 TRP 48 HH2 TRP 48 2.489 0.483 10.090 323 H CYS 49 HN CYS 49 4.024 0.185 3.825 324 HA CYS 49 HA CYS 49 6.512 -0.183 2.390 325 1HB CYS 49 HB2 CYS 49 4.414 1.967 1.772 326 2HB CYS 49 HB1 CYS 49 6.164 2.221 1.461 327 H ASN 50 HN ASN 50 8.062 1.204 3.399 328 HA ASN 50 HA ASN 50 7.044 2.899 5.600 329 1HB ASN 50 HB2 ASN 50 9.685 1.300 5.451 330 2HB ASN 50 HB1 ASN 50 9.570 2.806 6.405 331 1HD2 ASN 50 HD21 ASN 50 8.571 2.774 8.478 332 2HD2 ASN 50 HD22 ASN 50 7.988 1.316 9.199 333 H ALA 51 HN ALA 51 7.725 4.995 5.404 334 HA ALA 51 HA ALA 51 8.599 6.796 4.682 335 1HB ALA 51 HB1 ALA 51 10.868 5.926 5.006 336 2HB ALA 51 HB2 ALA 51 10.809 6.948 3.519 337 3HB ALA 51 HB3 ALA 51 10.824 5.155 3.384 338 H LEU 52 HN LEU 52 6.455 6.520 3.561 339 HA LEU 52 HA LEU 52 6.796 6.835 0.644 340 1HB LEU 52 HB2 LEU 52 4.334 6.369 2.412 341 2HB LEU 52 HB1 LEU 52 4.171 7.122 0.792 342 HG LEU 52 HG LEU 52 5.451 4.377 1.249 343 1HD1 LEU 52 HD11 LEU 52 2.523 5.074 0.537 344 2HD1 LEU 52 HD12 LEU 52 3.104 4.323 2.072 345 3HD1 LEU 52 HD13 LEU 52 3.244 3.419 0.520 346 1HD2 LEU 52 HD21 LEU 52 5.094 4.026 -1.159 347 2HD2 LEU 52 HD22 LEU 52 5.958 5.592 -0.950 348 3HD2 LEU 52 HD23 LEU 52 4.229 5.583 -1.321 349 HA PRO 53 HA PRO 53 6.470 11.063 2.161 350 1HB PRO 53 HB2 PRO 53 5.986 11.799 -0.753 351 2HB PRO 53 HB1 PRO 53 7.216 12.476 0.375 352 1HG PRO 53 HG1 PRO 53 7.924 10.722 -1.617 353 2HG PRO 53 HG2 PRO 53 8.659 10.572 0.036 354 1HD PRO 53 HD1 PRO 53 6.300 8.931 -1.095 355 2HD PRO 53 HD2 PRO 53 7.772 8.390 -0.208 356 H ASP 54 HN ASP 54 4.902 13.052 1.779 357 HA ASP 54 HA ASP 54 2.483 11.960 2.625 358 1HB ASP 54 HB2 ASP 54 3.215 14.864 1.959 359 2HB ASP 54 HB1 ASP 54 1.811 14.337 2.977 360 H ASN 55 HN ASN 55 3.364 12.391 -0.616 361 HA ASN 55 HA ASN 55 0.783 13.448 -1.459 362 1HB ASN 55 HB2 ASN 55 1.689 13.329 -3.767 363 2HB ASN 55 HB1 ASN 55 2.787 14.257 -2.696 364 1HD2 ASN 55 HD21 ASN 55 2.697 11.687 -4.996 365 2HD2 ASN 55 HD22 ASN 55 4.234 10.967 -4.621 366 H VAL 56 HN VAL 56 1.949 10.461 -0.458 367 HA VAL 56 HA VAL 56 0.634 8.994 -2.619 368 HB VAL 56 HB VAL 56 2.139 7.772 -0.265 369 1HG1 VAL 56 HG11 VAL 56 0.692 6.295 -1.720 370 2HG1 VAL 56 HG12 VAL 56 2.415 5.918 -1.976 371 3HG1 VAL 56 HG13 VAL 56 1.545 6.903 -3.190 372 1HG2 VAL 56 HG21 VAL 56 4.204 7.828 -1.731 373 2HG2 VAL 56 HG22 VAL 56 3.716 9.451 -1.212 374 3HG2 VAL 56 HG23 VAL 56 3.343 8.923 -2.879 375 H GLY 57 HN GLY 57 -1.285 7.733 -2.146 376 1HA GLY 57 HA2 GLY 57 -2.471 8.389 0.469 377 2HA GLY 57 HA1 GLY 57 -3.336 7.967 -1.081 378 H ILE 58 HN ILE 58 -3.658 6.561 1.558 379 HA ILE 58 HA ILE 58 -2.676 3.974 0.905 380 HB ILE 58 HB ILE 58 -1.674 3.715 3.216 381 1HG1 ILE 58 HG12 ILE 58 -1.602 6.792 3.284 382 2HG1 ILE 58 HG11 ILE 58 -2.802 5.808 4.189 383 1HG2 ILE 58 HG21 ILE 58 -0.287 4.105 1.070 384 2HG2 ILE 58 HG22 ILE 58 0.540 4.527 2.609 385 3HG2 ILE 58 HG23 ILE 58 -0.140 5.826 1.566 386 1HD1 ILE 58 HD11 ILE 58 -0.860 6.424 5.623 387 2HD1 ILE 58 HD12 ILE 58 0.250 5.525 4.520 388 3HD1 ILE 58 HD13 ILE 58 -1.038 4.640 5.421 389 H ILE 59 HN ILE 59 -3.437 2.781 3.346 390 HA ILE 59 HA ILE 59 -6.050 2.758 2.489 391 HB ILE 59 HB ILE 59 -5.497 1.340 5.090 392 1HG1 ILE 59 HG12 ILE 59 -3.384 0.989 4.031 393 2HG1 ILE 59 HG11 ILE 59 -4.388 -0.496 4.044 394 1HG2 ILE 59 HG21 ILE 59 -6.965 0.785 2.420 395 2HG2 ILE 59 HG22 ILE 59 -7.667 1.040 4.054 396 3HG2 ILE 59 HG23 ILE 59 -6.739 -0.455 3.706 397 1HD1 ILE 59 HD11 ILE 59 -3.366 -0.510 1.894 398 2HD1 ILE 59 HD12 ILE 59 -3.624 1.250 1.659 399 3HD1 ILE 59 HD13 ILE 59 -5.023 0.120 1.578 400 H VAL 60 HN VAL 60 -7.794 3.658 3.100 401 HA VAL 60 HA VAL 60 -8.217 4.636 5.837 402 HB VAL 60 HB VAL 60 -8.780 5.672 3.033 403 1HG1 VAL 60 HG11 VAL 60 -10.797 6.173 5.305 404 2HG1 VAL 60 HG12 VAL 60 -11.094 5.347 3.716 405 3HG1 VAL 60 HG13 VAL 60 -10.681 7.093 3.756 406 1HG2 VAL 60 HG21 VAL 60 -7.002 6.650 4.458 407 2HG2 VAL 60 HG22 VAL 60 -8.211 7.049 5.737 408 3HG2 VAL 60 HG23 VAL 60 -8.295 7.859 4.126 409 H GLU 61 HN GLU 61 -10.672 4.036 6.444 410 HA GLU 61 HA GLU 61 -11.945 2.459 4.536 411 1HB GLU 61 HB2 GLU 61 -10.789 0.586 5.840 412 2HB GLU 61 HB1 GLU 61 -11.444 1.281 7.359 413 1HG GLU 61 HG2 GLU 61 -12.735 -0.732 6.492 414 2HG GLU 61 HG1 GLU 61 -13.744 0.748 6.677 415 H GLY 62 HN GLY 62 -14.290 2.609 5.435 416 1HA GLY 62 HA2 GLY 62 -15.636 3.927 6.977 417 2HA GLY 62 HA1 GLY 62 -14.435 5.267 6.705 418 H GLU 63 HN GLU 63 -13.800 4.434 4.069 419 HA GLU 63 HA GLU 63 -16.145 5.281 2.552 420 1HB GLU 63 HB2 GLU 63 -13.982 6.523 2.207 421 2HB GLU 63 HB1 GLU 63 -13.168 5.012 1.746 422 1HG GLU 63 HG2 GLU 63 -13.739 6.449 -0.210 423 2HG GLU 63 HG1 GLU 63 -14.568 4.858 -0.325 424 H LYS 64 HN LYS 64 -13.598 3.198 1.084 425 HA LYS 64 HA LYS 64 -14.378 0.761 1.665 426 1HB LYS 64 HB2 LYS 64 -16.615 1.655 0.320 427 2HB LYS 64 HB1 LYS 64 -15.580 1.447 -1.107 428 1HG LYS 64 HG2 LYS 64 -17.075 -0.464 -0.713 429 2HG LYS 64 HG1 LYS 64 -15.384 -1.026 -0.532 430 1HD LYS 64 HD2 LYS 64 -15.568 -1.061 1.912 431 2HD LYS 64 HD1 LYS 64 -17.143 -0.204 1.871 432 1HE LYS 64 HE2 LYS 64 -16.666 -3.031 0.690 433 2HE LYS 64 HE1 LYS 64 -17.317 -2.698 2.345 434 1HZ LYS 64 HZ1 LYS 64 -19.154 -1.526 1.337 435 2HZ LYS 64 HZ2 LYS 64 -19.055 -3.124 0.777 436 3HZ LYS 64 HZ3 LYS 64 -18.554 -1.847 -0.220 437 H CYS 65 HN CYS 65 -13.767 -0.178 -0.988 438 HA CYS 65 HA CYS 65 -11.262 1.158 -1.664 439 1HB CYS 65 HB2 CYS 65 -10.888 -1.254 -1.302 440 2HB CYS 65 HB1 CYS 65 -12.418 -1.657 -2.103 441 H HIS 66 HN HIS 66 -11.358 2.243 -3.758 442 HA HIS 66 HA HIS 66 -13.539 1.662 -5.489 443 1HB HIS 66 HB2 HIS 66 -14.478 3.976 -5.543 444 2HB HIS 66 HB1 HIS 66 -14.778 3.210 -3.950 445 HD1 HIS 66 HD1 HIS 66 -12.315 3.904 -2.344 446 HD2 HIS 66 HD2 HIS 66 -14.163 6.620 -4.954 447 HE1 HIS 66 HE1 HIS 66 -11.692 6.236 -1.571 448 HE2 HIS 66 HE2 HIS 66 -12.884 7.843 -3.128 449 H SER 67 HN SER 67 -12.968 2.846 -7.674 450 HA SER 67 HA SER 67 -10.523 4.215 -7.673 451 1HB SER 67 HB2 SER 67 -10.827 1.509 -9.176 452 2HB SER 67 HB1 SER 67 -9.440 2.649 -9.336 453 HG SER 67 HG SER 67 -8.813 2.117 -7.230 454 1HN NH2 68 H1 NH2 68 -10.610 4.989 -10.133 455 2HN NH2 68 H2 NH2 68 -12.180 5.003 -10.865 Start of MODEL 26 1 1H VAL 1 HT1 VAL 1 6.122 12.286 6.540 2 2H VAL 1 HT2 VAL 1 4.776 12.897 5.707 3 3H VAL 1 HT3 VAL 1 6.332 13.051 5.034 4 HA VAL 1 HA VAL 1 5.081 11.356 3.963 5 HB VAL 1 HB VAL 1 6.692 9.479 4.147 6 1HG1 VAL 1 HG11 VAL 1 8.739 10.750 3.605 7 2HG1 VAL 1 HG12 VAL 1 8.075 12.242 4.358 8 3HG1 VAL 1 HG13 VAL 1 7.308 11.554 2.876 9 1HG2 VAL 1 HG21 VAL 1 7.769 10.940 6.657 10 2HG2 VAL 1 HG22 VAL 1 8.526 9.530 5.836 11 3HG2 VAL 1 HG23 VAL 1 6.931 9.341 6.634 12 H ARG 2 HN ARG 2 4.416 8.914 4.172 13 HA ARG 2 HA ARG 2 2.986 8.550 6.744 14 1HB ARG 2 HB2 ARG 2 2.381 7.091 4.093 15 2HB ARG 2 HB1 ARG 2 1.469 7.010 5.637 16 1HG ARG 2 HG2 ARG 2 0.082 8.283 4.434 17 2HG ARG 2 HG1 ARG 2 1.012 9.601 5.218 18 1HD ARG 2 HD2 ARG 2 2.085 10.201 3.128 19 2HD ARG 2 HD1 ARG 2 1.907 8.529 2.472 20 HE ARG 2 HE ARG 2 -0.171 9.050 1.629 21 1HH1 ARG 2 HH21 ARG 2 0.583 11.509 4.128 22 2HH1 ARG 2 HH22 ARG 2 -0.757 12.521 3.710 23 1HH2 ARG 2 HH11 ARG 2 -1.884 10.459 1.039 24 2HH2 ARG 2 HH12 ARG 2 -2.181 11.921 1.922 25 H ASP 3 HN ASP 3 2.855 6.179 7.452 26 HA ASP 3 HA ASP 3 4.501 4.366 5.960 27 1HB ASP 3 HB2 ASP 3 4.241 4.255 9.061 28 2HB ASP 3 HB1 ASP 3 5.150 3.120 8.001 29 H GLY 4 HN GLY 4 2.808 2.702 5.457 30 1HA GLY 4 HA2 GLY 4 0.690 2.419 7.246 31 2HA GLY 4 HA1 GLY 4 0.218 3.365 5.754 32 H TYR 5 HN TYR 5 -1.053 1.151 5.468 33 HA TYR 5 HA TYR 5 0.627 -0.788 4.105 34 1HB TYR 5 HB2 TYR 5 -2.431 -0.476 4.355 35 2HB TYR 5 HB1 TYR 5 -1.634 -1.681 3.270 36 HD1 TYR 5 HD1 TYR 5 -0.549 -3.619 4.122 37 HD2 TYR 5 HD2 TYR 5 -2.212 -0.731 6.840 38 HE1 TYR 5 HE1 TYR 5 -0.501 -5.292 5.918 39 HE2 TYR 5 HE2 TYR 5 -2.118 -2.393 8.666 40 HH TYR 5 HH TYR 5 -1.707 -5.754 7.981 41 H ILE 6 HN ILE 6 0.608 -0.777 1.707 42 HA ILE 6 HA ILE 6 -0.142 1.874 0.697 43 HB ILE 6 HB ILE 6 2.198 1.349 0.312 44 1HG1 ILE 6 HG12 ILE 6 0.404 1.742 -2.162 45 2HG1 ILE 6 HG11 ILE 6 1.037 2.994 -1.041 46 1HG2 ILE 6 HG21 ILE 6 1.109 -0.872 -1.522 47 2HG2 ILE 6 HG22 ILE 6 2.049 -1.081 0.013 48 3HG2 ILE 6 HG23 ILE 6 2.821 -0.338 -1.418 49 1HD1 ILE 6 HD11 ILE 6 2.583 1.297 -3.089 50 2HD1 ILE 6 HD12 ILE 6 3.419 2.251 -1.807 51 3HD1 ILE 6 HD13 ILE 6 2.392 3.085 -3.023 52 H ALA 7 HN ALA 7 -1.419 2.049 -0.999 53 HA ALA 7 HA ALA 7 -3.277 -0.105 -1.518 54 1HB ALA 7 HB1 ALA 7 -4.244 1.796 -0.013 55 2HB ALA 7 HB2 ALA 7 -5.108 1.593 -1.550 56 3HB ALA 7 HB3 ALA 7 -3.922 2.929 -1.356 57 H GLN 8 HN GLN 8 -4.703 1.969 -3.241 58 HA GLN 8 HA GLN 8 -2.807 2.459 -5.325 59 1HB GLN 8 HB2 GLN 8 -5.701 1.362 -5.660 60 2HB GLN 8 HB1 GLN 8 -4.596 1.801 -7.004 61 1HG GLN 8 HG2 GLN 8 -3.153 -0.127 -6.540 62 2HG GLN 8 HG1 GLN 8 -3.997 -0.486 -4.996 63 1HE2 GLN 8 HE22 GLN 8 -5.704 -1.932 -5.064 64 2HE2 GLN 8 HE21 GLN 8 -6.562 -2.388 -6.521 65 HA PRO 9 HA PRO 9 -5.297 5.947 -3.965 66 1HB PRO 9 HB2 PRO 9 -5.232 7.693 -6.176 67 2HB PRO 9 HB1 PRO 9 -3.825 7.436 -5.074 68 1HG PRO 9 HG1 PRO 9 -4.365 6.079 -7.766 69 2HG PRO 9 HG2 PRO 9 -2.827 6.840 -7.188 70 1HD PRO 9 HD1 PRO 9 -3.298 4.105 -7.036 71 2HD PRO 9 HD2 PRO 9 -2.380 4.967 -5.712 72 H GLU 10 HN GLU 10 -8.605 5.717 -5.430 73 HA GLU 10 HA GLU 10 -7.092 7.745 -4.190 74 1HB GLU 10 HB2 GLU 10 -9.994 6.784 -3.729 75 2HB GLU 10 HB1 GLU 10 -9.333 8.320 -3.132 76 1HG GLU 10 HG2 GLU 10 -9.720 7.518 -6.092 77 2HG GLU 10 HG1 GLU 10 -10.711 8.686 -5.146 78 H ASN 11 HN ASN 11 -8.521 4.588 -3.224 79 HA ASN 11 HA ASN 11 -7.188 4.409 -0.811 80 1HB ASN 11 HB2 ASN 11 -9.450 5.590 -0.093 81 2HB ASN 11 HB1 ASN 11 -10.320 4.369 -1.068 82 1HD2 ASN 11 HD22 ASN 11 -11.467 3.684 0.862 83 2HD2 ASN 11 HD21 ASN 11 -10.668 2.801 2.172 84 H CYS 12 HN CYS 12 -7.334 2.034 -0.682 85 HA CYS 12 HA CYS 12 -9.052 0.309 -1.714 86 1HB CYS 12 HB2 CYS 12 -6.700 0.616 -3.711 87 2HB CYS 12 HB1 CYS 12 -7.720 -0.858 -3.613 88 H VAL 13 HN VAL 13 -6.776 -1.612 -2.336 89 HA VAL 13 HA VAL 13 -4.822 -1.120 -0.361 90 HB VAL 13 HB VAL 13 -4.748 -3.760 -0.162 91 1HG1 VAL 13 HG11 VAL 13 -6.136 -3.659 1.926 92 2HG1 VAL 13 HG12 VAL 13 -6.739 -2.019 1.425 93 3HG1 VAL 13 HG13 VAL 13 -4.996 -2.298 1.776 94 1HG2 VAL 13 HG21 VAL 13 -6.895 -4.915 -0.224 95 2HG2 VAL 13 HG22 VAL 13 -6.644 -4.133 -1.816 96 3HG2 VAL 13 HG23 VAL 13 -7.790 -3.401 -0.621 97 H TYR 14 HN TYR 14 -2.985 -2.654 -1.321 98 HA TYR 14 HA TYR 14 -3.314 -2.861 -4.220 99 1HB TYR 14 HB2 TYR 14 -0.993 -2.398 -2.475 100 2HB TYR 14 HB1 TYR 14 -0.713 -3.948 -3.321 101 HD1 TYR 14 HD1 TYR 14 0.133 -0.686 -3.567 102 HD2 TYR 14 HD2 TYR 14 -1.815 -3.672 -5.981 103 HE1 TYR 14 HE1 TYR 14 0.570 0.648 -5.567 104 HE2 TYR 14 HE2 TYR 14 -1.374 -2.343 -7.987 105 HH TYR 14 HH TYR 14 -0.619 -0.315 -8.798 106 H HIS 15 HN HIS 15 -1.664 -5.457 -4.343 107 HA HIS 15 HA HIS 15 -2.839 -7.083 -2.424 108 1HB HIS 15 HB2 HIS 15 -3.382 -7.573 -5.439 109 2HB HIS 15 HB1 HIS 15 -3.274 -8.898 -4.224 110 HD1 HIS 15 HD1 HIS 15 -5.541 -6.040 -5.203 111 HD2 HIS 15 HD2 HIS 15 -5.339 -9.059 -2.295 112 HE1 HIS 15 HE1 HIS 15 -7.773 -6.079 -4.000 113 HE2 HIS 15 HE2 HIS 15 -7.598 -7.889 -2.237 114 H CYS 16 HN CYS 16 -1.273 -9.149 -2.900 115 HA CYS 16 HA CYS 16 1.054 -8.555 -4.201 116 1HB CYS 16 HB2 CYS 16 1.359 -6.914 -2.233 117 2HB CYS 16 HB1 CYS 16 1.054 -8.261 -1.110 118 H PHE 17 HN PHE 17 2.233 -10.508 -2.018 119 HA PHE 17 HA PHE 17 0.457 -12.705 -2.346 120 1HB PHE 17 HB2 PHE 17 3.397 -12.507 -3.411 121 2HB PHE 17 HB1 PHE 17 2.295 -13.912 -3.583 122 HD1 PHE 17 HD1 PHE 17 -0.035 -13.304 -4.879 123 HD2 PHE 17 HD2 PHE 17 3.515 -10.874 -5.105 124 HE1 PHE 17 HE1 PHE 17 -0.802 -12.371 -7.019 125 HE2 PHE 17 HE2 PHE 17 2.734 -9.946 -7.246 126 HZ PHE 17 HZ PHE 17 0.577 -10.690 -8.213 127 HA PRO 18 HA PRO 18 2.756 -12.786 1.474 128 1HB PRO 18 HB2 PRO 18 3.344 -15.469 2.059 129 2HB PRO 18 HB1 PRO 18 1.688 -14.765 2.094 130 1HG PRO 18 HG1 PRO 18 3.012 -16.278 -0.223 131 2HG PRO 18 HG2 PRO 18 1.387 -16.581 0.526 132 1HD PRO 18 HD1 PRO 18 1.621 -15.053 -1.758 133 2HD PRO 18 HD2 PRO 18 0.479 -14.542 -0.439 134 H GLY 19 HN GLY 19 4.585 -11.623 -0.113 135 1HA GLY 19 HA2 GLY 19 6.904 -12.265 1.185 136 2HA GLY 19 HA1 GLY 19 6.946 -12.927 -0.528 137 H SER 20 HN SER 20 8.518 -10.534 0.211 138 HA SER 20 HA SER 20 7.005 -8.268 -0.535 139 1HB SER 20 HB2 SER 20 10.072 -8.591 -0.504 140 2HB SER 20 HB1 SER 20 9.121 -7.081 -0.246 141 HG SER 20 HG SER 20 9.928 -8.049 1.672 142 H SER 21 HN SER 21 7.596 -10.757 -2.480 143 HA SER 21 HA SER 21 9.510 -10.384 -4.158 144 1HB SER 21 HB2 SER 21 6.812 -11.565 -5.016 145 2HB SER 21 HB1 SER 21 8.475 -12.142 -5.411 146 HG SER 21 HG SER 21 7.607 -13.399 -3.773 147 H GLY 22 HN GLY 22 6.117 -9.269 -4.964 148 1HA GLY 22 HA2 GLY 22 7.230 -8.038 -7.365 149 2HA GLY 22 HA1 GLY 22 5.509 -8.122 -6.828 150 H CYS 23 HN CYS 23 6.270 -7.174 -4.081 151 HA CYS 23 HA CYS 23 5.647 -4.510 -4.924 152 1HB CYS 23 HB2 CYS 23 4.338 -5.809 -3.145 153 2HB CYS 23 HB1 CYS 23 5.691 -5.425 -2.030 154 H ASP 24 HN ASP 24 8.586 -6.078 -4.068 155 HA ASP 24 HA ASP 24 9.916 -3.958 -2.856 156 1HB ASP 24 HB2 ASP 24 10.869 -6.302 -3.286 157 2HB ASP 24 HB1 ASP 24 11.068 -5.850 -5.011 158 H THR 25 HN THR 25 9.535 -4.730 -6.421 159 HA THR 25 HA THR 25 10.447 -2.344 -7.374 160 HB THR 25 HB THR 25 8.394 -3.186 -9.120 161 HG1 THR 25 HG1 THR 25 8.064 -5.090 -7.828 162 1HG2 THR 25 HG21 THR 25 10.335 -4.179 -10.382 163 2HG2 THR 25 HG22 THR 25 11.357 -4.087 -8.901 164 3HG2 THR 25 HG23 THR 25 10.767 -2.574 -9.687 165 H LEU 26 HN LEU 26 6.991 -3.251 -6.536 166 HA LEU 26 HA LEU 26 5.974 -0.856 -7.541 167 1HB LEU 26 HB2 LEU 26 4.781 -2.735 -5.434 168 2HB LEU 26 HB1 LEU 26 4.003 -1.219 -5.916 169 HG LEU 26 HG LEU 26 3.957 -1.921 -8.299 170 1HD1 LEU 26 HD11 LEU 26 4.582 -4.742 -7.218 171 2HD1 LEU 26 HD12 LEU 26 5.627 -3.773 -8.334 172 3HD1 LEU 26 HD13 LEU 26 4.007 -4.331 -8.877 173 1HD2 LEU 26 HD21 LEU 26 2.392 -3.679 -6.299 174 2HD2 LEU 26 HD22 LEU 26 1.904 -3.272 -7.987 175 3HD2 LEU 26 HD23 LEU 26 2.009 -1.976 -6.738 176 H CYS 27 HN CYS 27 7.071 -1.719 -4.192 177 HA CYS 27 HA CYS 27 6.111 0.637 -3.069 178 1HB CYS 27 HB2 CYS 27 6.843 -1.491 -1.847 179 2HB CYS 27 HB1 CYS 27 8.538 -0.982 -2.084 180 H LYS 28 HN LYS 28 9.257 -0.172 -4.690 181 HA LYS 28 HA LYS 28 10.432 2.263 -3.806 182 1HB LYS 28 HB2 LYS 28 11.222 0.346 -6.062 183 2HB LYS 28 HB1 LYS 28 12.188 1.798 -5.618 184 1HG LYS 28 HG2 LYS 28 11.517 -0.489 -3.682 185 2HG LYS 28 HG1 LYS 28 13.032 -0.389 -4.636 186 1HD LYS 28 HD2 LYS 28 13.688 1.695 -3.499 187 2HD LYS 28 HD1 LYS 28 12.130 1.762 -2.608 188 1HE LYS 28 HE2 LYS 28 14.256 -0.460 -2.272 189 2HE LYS 28 HE1 LYS 28 13.958 0.924 -1.145 190 1HZ LYS 28 HZ1 LYS 28 12.854 -0.964 -0.335 191 2HZ LYS 28 HZ2 LYS 28 12.101 -1.284 -1.824 192 3HZ LYS 28 HZ3 LYS 28 11.659 0.091 -0.931 193 H GLU 29 HN GLU 29 8.697 1.303 -6.835 194 HA GLU 29 HA GLU 29 9.352 3.778 -8.060 195 1HB GLU 29 HB2 GLU 29 7.807 3.224 -9.846 196 2HB GLU 29 HB1 GLU 29 8.845 1.824 -9.426 197 1HG GLU 29 HG2 GLU 29 6.909 0.918 -8.035 198 2HG GLU 29 HG1 GLU 29 5.862 2.220 -8.699 199 H LYS 30 HN LYS 30 6.646 2.787 -5.941 200 HA LYS 30 HA LYS 30 5.204 5.233 -6.473 201 1HB LYS 30 HB2 LYS 30 4.870 3.110 -4.285 202 2HB LYS 30 HB1 LYS 30 3.769 4.506 -4.509 203 1HG LYS 30 HG2 LYS 30 4.296 2.330 -6.635 204 2HG LYS 30 HG1 LYS 30 2.942 2.291 -5.470 205 1HD LYS 30 HD2 LYS 30 3.404 4.465 -7.615 206 2HD LYS 30 HD1 LYS 30 2.295 3.066 -7.762 207 1HE LYS 30 HE2 LYS 30 2.015 5.342 -5.676 208 2HE LYS 30 HE1 LYS 30 1.046 5.141 -7.187 209 1HZ LYS 30 HZ1 LYS 30 0.267 3.022 -6.319 210 2HZ LYS 30 HZ2 LYS 30 -0.131 4.328 -5.305 211 3HZ LYS 30 HZ3 LYS 30 1.129 3.271 -4.878 212 H GLY 31 HN GLY 31 7.681 4.092 -4.219 213 1HA GLY 31 HA2 GLY 31 9.275 5.717 -3.850 214 2HA GLY 31 HA1 GLY 31 7.991 6.940 -3.518 215 H GLY 32 HN GLY 32 8.145 3.541 -2.284 216 1HA GLY 32 HA2 GLY 32 8.529 4.649 0.421 217 2HA GLY 32 HA1 GLY 32 7.692 3.114 -0.055 218 H THR 33 HN THR 33 10.343 3.885 1.536 219 HA THR 33 HA THR 33 12.302 2.664 -0.252 220 HB THR 33 HB THR 33 13.863 3.823 1.472 221 HG1 THR 33 HG1 THR 33 12.862 5.410 2.649 222 1HG2 THR 33 HG21 THR 33 11.905 5.458 -0.311 223 2HG2 THR 33 HG22 THR 33 13.414 4.648 -0.867 224 3HG2 THR 33 HG23 THR 33 13.507 6.032 0.278 225 H SER 34 HN SER 34 10.146 1.476 1.916 226 HA SER 34 HA SER 34 11.704 -0.812 2.015 227 1HB SER 34 HB2 SER 34 10.924 0.499 4.725 228 2HB SER 34 HB1 SER 34 11.347 -1.248 4.534 229 HG SER 34 HG SER 34 13.116 0.655 3.481 230 H GLY 35 HN GLY 35 9.952 -2.606 2.575 231 1HA GLY 35 HA2 GLY 35 7.387 -1.841 3.064 232 2HA GLY 35 HA1 GLY 35 7.695 -2.003 1.266 233 H HIS 36 HN HIS 36 6.105 -4.044 2.310 234 HA HIS 36 HA HIS 36 7.561 -6.317 1.903 235 1HB HIS 36 HB2 HIS 36 7.117 -7.482 4.096 236 2HB HIS 36 HB1 HIS 36 8.359 -6.211 4.292 237 HD1 HIS 36 HD1 HIS 36 7.546 -3.974 5.516 238 HD2 HIS 36 HD2 HIS 36 4.807 -7.150 5.668 239 HE1 HIS 36 HE1 HIS 36 5.854 -3.425 7.323 240 HE2 HIS 36 HE2 HIS 36 4.233 -5.368 7.393 241 H CYS 37 HN CYS 37 5.347 -7.986 2.926 242 HA CYS 37 HA CYS 37 3.030 -6.420 2.079 243 1HB CYS 37 HB2 CYS 37 3.798 -9.202 0.990 244 2HB CYS 37 HB1 CYS 37 2.196 -8.409 0.796 245 H GLY 38 HN GLY 38 0.970 -7.562 2.982 246 1HA GLY 38 HA2 GLY 38 1.223 -9.507 4.878 247 2HA GLY 38 HA1 GLY 38 1.400 -7.840 5.622 248 H PHE 39 HN PHE 39 -0.980 -8.764 6.386 249 HA PHE 39 HA PHE 39 -2.906 -8.404 4.227 250 1HB PHE 39 HB2 PHE 39 -2.710 -10.566 5.833 251 2HB PHE 39 HB1 PHE 39 -3.546 -9.528 7.031 252 HD1 PHE 39 HD1 PHE 39 -3.766 -11.346 3.836 253 HD2 PHE 39 HD2 PHE 39 -5.913 -8.849 6.581 254 HE1 PHE 39 HE1 PHE 39 -5.888 -12.008 2.766 255 HE2 PHE 39 HE2 PHE 39 -8.040 -9.496 5.512 256 HZ PHE 39 HZ PHE 39 -8.045 -11.117 3.629 257 H LYS 40 HN LYS 40 -4.708 -6.908 4.587 258 HA LYS 40 HA LYS 40 -4.469 -5.269 7.010 259 1HB LYS 40 HB2 LYS 40 -3.886 -4.020 4.820 260 2HB LYS 40 HB1 LYS 40 -5.567 -4.342 4.281 261 1HG LYS 40 HG2 LYS 40 -4.695 -2.720 6.774 262 2HG LYS 40 HG1 LYS 40 -5.195 -2.055 5.184 263 1HD LYS 40 HD2 LYS 40 -7.465 -3.246 5.526 264 2HD LYS 40 HD1 LYS 40 -6.967 -3.496 7.232 265 1HE LYS 40 HE2 LYS 40 -7.259 -0.766 5.820 266 2HE LYS 40 HE1 LYS 40 -8.425 -1.498 6.991 267 1HZ LYS 40 HZ1 LYS 40 -5.604 -0.766 7.576 268 2HZ LYS 40 HZ2 LYS 40 -6.720 -1.434 8.670 269 3HZ LYS 40 HZ3 LYS 40 -6.987 0.112 8.018 270 H VAL 41 HN VAL 41 -6.199 -5.989 8.261 271 HA VAL 41 HA VAL 41 -8.123 -7.682 6.999 272 HB VAL 41 HB VAL 41 -8.181 -6.735 9.901 273 1HG1 VAL 41 HG11 VAL 41 -10.201 -7.975 9.052 274 2HG1 VAL 41 HG12 VAL 41 -9.269 -8.988 10.209 275 3HG1 VAL 41 HG13 VAL 41 -9.141 -9.305 8.443 276 1HG2 VAL 41 HG21 VAL 41 -6.795 -8.778 10.413 277 2HG2 VAL 41 HG22 VAL 41 -5.862 -7.556 9.501 278 3HG2 VAL 41 HG23 VAL 41 -6.500 -9.024 8.661 279 H GLY 42 HN GLY 42 -10.283 -7.107 6.501 280 1HA GLY 42 HA2 GLY 42 -12.088 -5.687 6.486 281 2HA GLY 42 HA1 GLY 42 -11.069 -4.336 7.116 282 H HIS 43 HN HIS 43 -9.518 -6.289 4.732 283 HA HIS 43 HA HIS 43 -10.760 -5.008 2.469 284 1HB HIS 43 HB2 HIS 43 -7.872 -4.439 3.343 285 2HB HIS 43 HB1 HIS 43 -8.247 -4.582 1.598 286 HD1 HIS 43 HD1 HIS 43 -9.838 -2.829 0.524 287 HD2 HIS 43 HD2 HIS 43 -8.269 -1.841 4.286 288 HE1 HIS 43 HE1 HIS 43 -9.799 -0.296 0.693 289 HE2 HIS 43 HE2 HIS 43 -8.884 0.250 2.982 290 H GLY 44 HN GLY 44 -7.479 -6.616 3.094 291 1HA GLY 44 HA2 GLY 44 -8.043 -9.092 2.235 292 2HA GLY 44 HA1 GLY 44 -7.910 -8.033 0.747 293 H LEU 45 HN LEU 45 -5.793 -9.394 0.547 294 HA LEU 45 HA LEU 45 -3.736 -8.676 2.388 295 1HB LEU 45 HB2 LEU 45 -3.981 -10.879 1.047 296 2HB LEU 45 HB1 LEU 45 -3.315 -9.991 -0.354 297 HG LEU 45 HG LEU 45 -1.800 -9.861 2.286 298 1HD1 LEU 45 HD11 LEU 45 -2.499 -12.252 2.238 299 2HD1 LEU 45 HD12 LEU 45 -0.731 -12.084 1.951 300 3HD1 LEU 45 HD13 LEU 45 -1.840 -12.429 0.573 301 1HD2 LEU 45 HD21 LEU 45 0.205 -10.009 0.832 302 2HD2 LEU 45 HD22 LEU 45 -0.915 -8.765 0.161 303 3HD2 LEU 45 HD23 LEU 45 -0.828 -10.402 -0.587 304 H ALA 46 HN ALA 46 -1.931 -7.125 1.851 305 HA ALA 46 HA ALA 46 -2.784 -5.175 -0.178 306 1HB ALA 46 HB1 ALA 46 -2.425 -3.367 1.577 307 2HB ALA 46 HB2 ALA 46 -2.073 -4.662 2.795 308 3HB ALA 46 HB3 ALA 46 -3.715 -4.509 2.092 309 H CYS 47 HN CYS 47 -0.554 -3.284 0.546 310 HA CYS 47 HA CYS 47 1.679 -5.160 0.835 311 1HB CYS 47 HB2 CYS 47 1.803 -4.727 -1.563 312 2HB CYS 47 HB1 CYS 47 1.466 -2.998 -1.323 313 H TRP 48 HN TRP 48 3.540 -3.653 1.810 314 HA TRP 48 HA TRP 48 2.268 -1.474 3.309 315 1HB TRP 48 HB2 TRP 48 2.536 -3.382 4.906 316 2HB TRP 48 HB1 TRP 48 4.217 -3.629 4.322 317 HD1 TRP 48 HD1 TRP 48 6.050 -1.651 5.022 318 HE1 TRP 48 HE1 TRP 48 6.149 -0.007 6.918 319 HE3 TRP 48 HE3 TRP 48 1.247 -2.233 6.635 320 HZ2 TRP 48 HZ2 TRP 48 4.315 0.939 8.992 321 HZ3 TRP 48 HZ3 TRP 48 0.472 -0.943 8.596 322 HH2 TRP 48 HH2 TRP 48 1.983 0.623 9.759 323 H CYS 49 HN CYS 49 3.807 0.350 3.605 324 HA CYS 49 HA CYS 49 6.376 0.025 2.360 325 1HB CYS 49 HB2 CYS 49 4.254 2.017 1.392 326 2HB CYS 49 HB1 CYS 49 6.004 2.370 1.254 327 H ASN 50 HN ASN 50 7.784 1.668 3.225 328 HA ASN 50 HA ASN 50 6.599 3.329 5.369 329 1HB ASN 50 HB2 ASN 50 9.354 1.969 5.132 330 2HB ASN 50 HB1 ASN 50 9.201 3.509 6.029 331 1HD2 ASN 50 HD22 ASN 50 8.721 3.402 8.188 332 2HD2 ASN 50 HD21 ASN 50 8.122 1.990 9.000 333 H ALA 51 HN ALA 51 6.971 5.510 5.114 334 HA ALA 51 HA ALA 51 7.877 7.357 4.649 335 1HB ALA 51 HB1 ALA 51 10.165 6.400 4.904 336 2HB ALA 51 HB2 ALA 51 10.096 7.715 3.669 337 3HB ALA 51 HB3 ALA 51 10.155 5.993 3.145 338 H LEU 52 HN LEU 52 5.757 6.571 3.205 339 HA LEU 52 HA LEU 52 6.353 7.078 0.401 340 1HB LEU 52 HB2 LEU 52 3.744 6.492 1.892 341 2HB LEU 52 HB1 LEU 52 3.721 7.133 0.217 342 HG LEU 52 HG LEU 52 5.271 4.596 0.941 343 1HD1 LEU 52 HD11 LEU 52 2.894 4.228 1.559 344 2HD1 LEU 52 HD12 LEU 52 3.295 3.332 0.050 345 3HD1 LEU 52 HD13 LEU 52 2.356 4.862 -0.052 346 1HD2 LEU 52 HD21 LEU 52 4.131 5.585 -1.764 347 2HD2 LEU 52 HD22 LEU 52 5.137 4.123 -1.480 348 3HD2 LEU 52 HD23 LEU 52 5.838 5.758 -1.251 349 HA PRO 53 HA PRO 53 5.653 11.329 1.512 350 1HB PRO 53 HB2 PRO 53 5.672 12.565 -0.989 351 2HB PRO 53 HB1 PRO 53 7.149 11.852 -0.240 352 1HG PRO 53 HG1 PRO 53 5.303 10.572 -2.318 353 2HG PRO 53 HG2 PRO 53 7.110 10.660 -2.324 354 1HD PRO 53 HD1 PRO 53 5.682 8.434 -1.395 355 2HD PRO 53 HD2 PRO 53 7.275 8.912 -0.682 356 H ASP 54 HN ASP 54 4.109 13.192 0.953 357 HA ASP 54 HA ASP 54 1.613 12.169 1.541 358 1HB ASP 54 HB2 ASP 54 2.516 15.008 0.800 359 2HB ASP 54 HB1 ASP 54 0.900 14.609 1.508 360 H ASN 55 HN ASN 55 2.918 12.648 -1.598 361 HA ASN 55 HA ASN 55 0.367 13.395 -2.773 362 1HB ASN 55 HB2 ASN 55 1.606 13.422 -4.942 363 2HB ASN 55 HB1 ASN 55 2.342 14.501 -3.715 364 1HD2 ASN 55 HD22 ASN 55 3.107 12.055 -5.992 365 2HD2 ASN 55 HD21 ASN 55 4.668 11.620 -5.358 366 H VAL 56 HN VAL 56 1.400 10.599 -1.464 367 HA VAL 56 HA VAL 56 0.392 8.938 -3.669 368 HB VAL 56 HB VAL 56 1.738 7.941 -1.087 369 1HG1 VAL 56 HG11 VAL 56 2.171 5.929 -2.538 370 2HG1 VAL 56 HG12 VAL 56 1.296 6.717 -3.900 371 3HG1 VAL 56 HG13 VAL 56 0.417 6.269 -2.384 372 1HG2 VAL 56 HG21 VAL 56 3.871 7.810 -2.440 373 2HG2 VAL 56 HG22 VAL 56 3.364 9.480 -2.075 374 3HG2 VAL 56 HG23 VAL 56 3.094 8.824 -3.719 375 H GLY 57 HN GLY 57 -1.483 7.525 -2.969 376 1HA GLY 57 HA2 GLY 57 -2.712 8.471 -0.477 377 2HA GLY 57 HA1 GLY 57 -3.628 8.092 -2.012 378 H ILE 58 HN ILE 58 -3.597 6.642 0.664 379 HA ILE 58 HA ILE 58 -2.460 4.087 -0.194 380 HB ILE 58 HB ILE 58 -1.495 3.765 2.041 381 1HG1 ILE 58 HG12 ILE 58 -1.887 6.808 2.447 382 2HG1 ILE 58 HG11 ILE 58 -2.887 5.559 3.262 383 1HG2 ILE 58 HG21 ILE 58 -0.223 4.554 -0.035 384 2HG2 ILE 58 HG22 ILE 58 0.551 4.962 1.536 385 3HG2 ILE 58 HG23 ILE 58 -0.323 6.233 0.610 386 1HD1 ILE 58 HD11 ILE 58 -1.079 6.252 4.774 387 2HD1 ILE 58 HD12 ILE 58 0.171 5.874 3.531 388 3HD1 ILE 58 HD13 ILE 58 -0.810 4.545 4.253 389 H ILE 59 HN ILE 59 -3.222 3.139 2.606 390 HA ILE 59 HA ILE 59 -5.985 2.617 2.077 391 HB ILE 59 HB ILE 59 -4.142 2.108 4.454 392 1HG1 ILE 59 HG12 ILE 59 -4.667 -0.216 4.188 393 2HG1 ILE 59 HG11 ILE 59 -6.016 0.102 3.058 394 1HG2 ILE 59 HG21 ILE 59 -6.251 2.807 5.568 395 2HG2 ILE 59 HG22 ILE 59 -6.062 1.039 5.681 396 3HG2 ILE 59 HG23 ILE 59 -7.211 1.727 4.478 397 1HD1 ILE 59 HD11 ILE 59 -4.661 0.336 1.228 398 2HD1 ILE 59 HD12 ILE 59 -3.660 -0.817 2.171 399 3HD1 ILE 59 HD13 ILE 59 -3.226 0.922 2.158 400 H VAL 60 HN VAL 60 -7.546 4.086 2.367 401 HA VAL 60 HA VAL 60 -6.950 6.442 4.004 402 HB VAL 60 HB VAL 60 -9.284 5.787 2.148 403 1HG1 VAL 60 HG11 VAL 60 -8.550 8.369 3.637 404 2HG1 VAL 60 HG12 VAL 60 -10.023 7.342 3.904 405 3HG1 VAL 60 HG13 VAL 60 -9.802 8.216 2.341 406 1HG2 VAL 60 HG21 VAL 60 -8.130 7.472 0.651 407 2HG2 VAL 60 HG22 VAL 60 -7.061 6.068 0.958 408 3HG2 VAL 60 HG23 VAL 60 -6.789 7.611 1.840 409 H GLU 61 HN GLU 61 -9.338 3.665 3.763 410 HA GLU 61 HA GLU 61 -9.312 3.508 6.537 411 1HB GLU 61 HB2 GLU 61 -11.013 5.444 6.260 412 2HB GLU 61 HB1 GLU 61 -11.985 4.392 5.204 413 1HG GLU 61 HG2 GLU 61 -12.910 4.581 7.527 414 2HG GLU 61 HG1 GLU 61 -12.497 2.884 7.121 415 H GLY 62 HN GLY 62 -10.798 1.475 6.948 416 1HA GLY 62 HA2 GLY 62 -10.696 -0.277 4.611 417 2HA GLY 62 HA1 GLY 62 -11.102 -0.678 6.328 418 H GLU 63 HN GLU 63 -12.198 1.370 3.631 419 HA GLU 63 HA GLU 63 -14.978 1.079 4.573 420 1HB GLU 63 HB2 GLU 63 -14.001 3.421 4.645 421 2HB GLU 63 HB1 GLU 63 -13.724 3.339 2.878 422 1HG GLU 63 HG2 GLU 63 -16.267 2.986 2.592 423 2HG GLU 63 HG1 GLU 63 -16.434 3.207 4.373 424 H LYS 64 HN LYS 64 -12.948 1.641 1.587 425 HA LYS 64 HA LYS 64 -14.402 -0.330 0.182 426 1HB LYS 64 HB2 LYS 64 -15.896 1.919 0.257 427 2HB LYS 64 HB1 LYS 64 -14.679 2.550 -0.880 428 1HG LYS 64 HG2 LYS 64 -16.591 1.773 -2.127 429 2HG LYS 64 HG1 LYS 64 -15.315 0.554 -2.438 430 1HD LYS 64 HD2 LYS 64 -16.347 -0.938 -0.667 431 2HD LYS 64 HD1 LYS 64 -17.646 0.275 -0.434 432 1HE LYS 64 HE2 LYS 64 -17.023 -1.242 -3.071 433 2HE LYS 64 HE1 LYS 64 -18.371 -1.616 -1.923 434 1HZ LYS 64 HZ1 LYS 64 -18.004 0.916 -3.435 435 2HZ LYS 64 HZ2 LYS 64 -19.269 0.573 -2.352 436 3HZ LYS 64 HZ3 LYS 64 -19.110 -0.326 -3.785 437 H CYS 65 HN CYS 65 -13.609 1.192 -2.327 438 HA CYS 65 HA CYS 65 -10.794 1.414 -2.169 439 1HB CYS 65 HB2 CYS 65 -10.976 -1.025 -2.575 440 2HB CYS 65 HB1 CYS 65 -12.411 -0.804 -3.593 441 H HIS 66 HN HIS 66 -10.463 3.035 -3.667 442 HA HIS 66 HA HIS 66 -10.941 4.948 -4.444 443 1HB HIS 66 HB2 HIS 66 -13.021 3.540 -6.165 444 2HB HIS 66 HB1 HIS 66 -12.388 5.208 -6.452 445 HD1 HIS 66 HD1 HIS 66 -9.830 5.444 -6.908 446 HD2 HIS 66 HD2 HIS 66 -11.263 1.507 -7.166 447 HE1 HIS 66 HE1 HIS 66 -8.020 4.070 -7.986 448 HE2 HIS 66 HE2 HIS 66 -8.935 1.702 -8.180 449 H SER 67 HN SER 67 -12.481 4.374 -1.898 450 HA SER 67 HA SER 67 -13.676 6.827 -1.856 451 1HB SER 67 HB2 SER 67 -15.583 4.357 -1.880 452 2HB SER 67 HB1 SER 67 -16.019 5.916 -1.083 453 HG SER 67 HG SER 67 -15.131 5.885 -3.755 454 1HN NH2 68 H1 NH2 68 -14.468 6.766 0.655 455 2HN NH2 68 H2 NH2 68 -13.547 5.703 1.658 Start of MODEL 27 1 1H VAL 1 HT1 VAL 1 7.173 12.544 5.371 2 2H VAL 1 HT2 VAL 1 6.820 11.855 6.886 3 3H VAL 1 HT3 VAL 1 5.604 12.660 6.021 4 HA VAL 1 HA VAL 1 5.612 11.049 4.337 5 HB VAL 1 HB VAL 1 6.983 8.939 4.587 6 1HG1 VAL 1 HG11 VAL 1 8.630 11.537 4.340 7 2HG1 VAL 1 HG12 VAL 1 7.651 10.764 3.033 8 3HG1 VAL 1 HG13 VAL 1 9.069 9.902 3.713 9 1HG2 VAL 1 HG21 VAL 1 8.503 10.515 6.777 10 2HG2 VAL 1 HG22 VAL 1 8.931 8.907 6.104 11 3HG2 VAL 1 HG23 VAL 1 7.430 9.097 7.072 12 H ARG 2 HN ARG 2 4.837 8.584 4.657 13 HA ARG 2 HA ARG 2 3.725 8.270 7.387 14 1HB ARG 2 HB2 ARG 2 2.738 6.713 4.909 15 2HB ARG 2 HB1 ARG 2 2.071 6.706 6.571 16 1HG ARG 2 HG2 ARG 2 0.500 7.892 5.472 17 2HG ARG 2 HG1 ARG 2 1.479 9.246 6.117 18 1HD ARG 2 HD2 ARG 2 2.333 9.803 3.925 19 2HD ARG 2 HD1 ARG 2 2.114 8.112 3.332 20 HE ARG 2 HE ARG 2 0.004 8.660 2.575 21 1HH1 ARG 2 HH11 ARG 2 0.812 11.060 5.121 22 2HH1 ARG 2 HH12 ARG 2 -0.607 12.002 4.823 23 1HH2 ARG 2 HH21 ARG 2 -1.834 9.894 2.228 24 2HH2 ARG 2 HH22 ARG 2 -2.156 11.324 3.160 25 H ASP 3 HN ASP 3 3.676 5.808 7.970 26 HA ASP 3 HA ASP 3 5.322 4.181 6.272 27 1HB ASP 3 HB2 ASP 3 5.294 3.997 9.387 28 2HB ASP 3 HB1 ASP 3 6.109 2.869 8.256 29 H GLY 4 HN GLY 4 3.685 2.551 5.692 30 1HA GLY 4 HA2 GLY 4 1.475 2.214 7.431 31 2HA GLY 4 HA1 GLY 4 1.141 3.275 5.991 32 H TYR 5 HN TYR 5 -0.340 1.298 5.554 33 HA TYR 5 HA TYR 5 1.156 -0.661 3.963 34 1HB TYR 5 HB2 TYR 5 -1.671 -0.597 5.160 35 2HB TYR 5 HB1 TYR 5 -1.505 -1.239 3.485 36 HD1 TYR 5 HD1 TYR 5 -0.791 -3.326 3.054 37 HD2 TYR 5 HD2 TYR 5 -0.067 -1.688 6.949 38 HE1 TYR 5 HE1 TYR 5 0.029 -5.513 3.784 39 HE2 TYR 5 HE2 TYR 5 0.860 -3.860 7.673 40 HH TYR 5 HH TYR 5 0.784 -6.735 5.556 41 H ILE 6 HN ILE 6 0.906 -0.416 1.715 42 HA ILE 6 HA ILE 6 -0.253 2.132 0.880 43 HB ILE 6 HB ILE 6 2.109 1.699 0.258 44 1HG1 ILE 6 HG12 ILE 6 0.083 2.127 -2.020 45 2HG1 ILE 6 HG11 ILE 6 0.841 3.378 -0.969 46 1HG2 ILE 6 HG21 ILE 6 1.851 -0.736 -0.090 47 2HG2 ILE 6 HG22 ILE 6 2.663 0.064 -1.475 48 3HG2 ILE 6 HG23 ILE 6 0.945 -0.440 -1.623 49 1HD1 ILE 6 HD11 ILE 6 1.950 3.392 -3.144 50 2HD1 ILE 6 HD12 ILE 6 2.236 1.616 -3.092 51 3HD1 ILE 6 HD13 ILE 6 3.114 2.700 -1.953 52 H ALA 7 HN ALA 7 -1.769 2.193 -0.711 53 HA ALA 7 HA ALA 7 -3.396 -0.180 -1.156 54 1HB ALA 7 HB1 ALA 7 -4.490 1.844 0.037 55 2HB ALA 7 HB2 ALA 7 -5.259 1.448 -1.528 56 3HB ALA 7 HB3 ALA 7 -4.113 2.839 -1.389 57 H GLN 8 HN GLN 8 -4.688 1.925 -3.193 58 HA GLN 8 HA GLN 8 -2.689 2.351 -5.119 59 1HB GLN 8 HB2 GLN 8 -5.429 0.983 -5.716 60 2HB GLN 8 HB1 GLN 8 -4.323 1.642 -6.971 61 1HG GLN 8 HG2 GLN 8 -2.621 -0.066 -6.422 62 2HG GLN 8 HG1 GLN 8 -3.612 -0.688 -5.062 63 1HE2 GLN 8 HE21 GLN 8 -5.562 -1.881 -5.510 64 2HE2 GLN 8 HE22 GLN 8 -6.038 -2.355 -7.121 65 HA PRO 9 HA PRO 9 -5.106 5.788 -4.003 66 1HB PRO 9 HB2 PRO 9 -5.301 7.453 -6.286 67 2HB PRO 9 HB1 PRO 9 -3.777 7.202 -5.358 68 1HG PRO 9 HG1 PRO 9 -4.701 5.751 -7.895 69 2HG PRO 9 HG2 PRO 9 -3.080 6.492 -7.561 70 1HD PRO 9 HD1 PRO 9 -3.550 3.786 -7.229 71 2HD PRO 9 HD2 PRO 9 -2.493 4.687 -6.043 72 H GLU 10 HN GLU 10 -8.585 5.948 -5.057 73 HA GLU 10 HA GLU 10 -6.543 7.629 -3.898 74 1HB GLU 10 HB2 GLU 10 -9.558 7.586 -3.378 75 2HB GLU 10 HB1 GLU 10 -8.403 8.839 -2.847 76 1HG GLU 10 HG2 GLU 10 -9.122 8.160 -5.785 77 2HG GLU 10 HG1 GLU 10 -9.774 9.537 -4.826 78 H ASN 11 HN ASN 11 -8.423 4.681 -3.181 79 HA ASN 11 HA ASN 11 -7.008 4.135 -0.947 80 1HB ASN 11 HB2 ASN 11 -8.930 5.489 0.198 81 2HB ASN 11 HB1 ASN 11 -10.119 4.459 -0.683 82 1HD2 ASN 11 HD22 ASN 11 -10.879 2.747 0.808 83 2HD2 ASN 11 HD21 ASN 11 -9.873 2.248 2.162 84 H CYS 12 HN CYS 12 -7.508 1.806 -0.875 85 HA CYS 12 HA CYS 12 -9.236 0.234 -2.073 86 1HB CYS 12 HB2 CYS 12 -7.054 1.043 -4.081 87 2HB CYS 12 HB1 CYS 12 -7.665 -0.643 -4.093 88 H VAL 13 HN VAL 13 -6.922 -1.634 -2.857 89 HA VAL 13 HA VAL 13 -5.130 -1.387 -0.681 90 HB VAL 13 HB VAL 13 -5.183 -4.050 -0.737 91 1HG1 VAL 13 HG11 VAL 13 -5.510 -2.745 1.283 92 2HG1 VAL 13 HG12 VAL 13 -6.709 -4.068 1.230 93 3HG1 VAL 13 HG13 VAL 13 -7.226 -2.369 0.847 94 1HG2 VAL 13 HG21 VAL 13 -7.394 -5.066 -0.973 95 2HG2 VAL 13 HG22 VAL 13 -6.922 -4.279 -2.521 96 3HG2 VAL 13 HG23 VAL 13 -8.140 -3.494 -1.431 97 H TYR 14 HN TYR 14 -3.303 -2.891 -1.592 98 HA TYR 14 HA TYR 14 -3.425 -2.867 -4.492 99 1HB TYR 14 HB2 TYR 14 -1.184 -2.512 -2.704 100 2HB TYR 14 HB1 TYR 14 -0.933 -4.072 -3.468 101 HD1 TYR 14 HD1 TYR 14 0.210 -0.968 -3.861 102 HD2 TYR 14 HD2 TYR 14 -1.996 -3.822 -6.220 103 HE1 TYR 14 HE1 TYR 14 0.820 0.242 -5.914 104 HE2 TYR 14 HE2 TYR 14 -1.429 -2.601 -8.248 105 HH TYR 14 HH TYR 14 -0.633 -0.633 -9.082 106 H HIS 15 HN HIS 15 -1.732 -5.492 -4.548 107 HA HIS 15 HA HIS 15 -3.310 -7.262 -3.028 108 1HB HIS 15 HB2 HIS 15 -3.007 -7.531 -6.104 109 2HB HIS 15 HB1 HIS 15 -3.301 -8.914 -4.990 110 HD1 HIS 15 HD1 HIS 15 -5.092 -5.739 -6.168 111 HD2 HIS 15 HD2 HIS 15 -5.857 -9.260 -4.017 112 HE1 HIS 15 HE1 HIS 15 -7.592 -5.833 -5.738 113 HE2 HIS 15 HE2 HIS 15 -8.002 -7.951 -4.417 114 H CYS 16 HN CYS 16 -1.611 -8.901 -2.479 115 HA CYS 16 HA CYS 16 0.816 -8.827 -3.739 116 1HB CYS 16 HB2 CYS 16 1.046 -6.711 -2.233 117 2HB CYS 16 HB1 CYS 16 0.778 -7.771 -0.822 118 H PHE 17 HN PHE 17 1.993 -10.338 -1.494 119 HA PHE 17 HA PHE 17 0.005 -12.451 -1.344 120 1HB PHE 17 HB2 PHE 17 2.984 -12.656 -2.259 121 2HB PHE 17 HB1 PHE 17 1.711 -13.916 -2.420 122 HD1 PHE 17 HD1 PHE 17 3.476 -11.254 -4.088 123 HD2 PHE 17 HD2 PHE 17 -0.422 -13.088 -3.895 124 HE1 PHE 17 HE1 PHE 17 2.947 -10.405 -6.338 125 HE2 PHE 17 HE2 PHE 17 -0.937 -12.223 -6.133 126 HZ PHE 17 HZ PHE 17 0.741 -10.879 -7.368 127 HA PRO 18 HA PRO 18 2.736 -12.643 2.410 128 1HB PRO 18 HB2 PRO 18 3.100 -15.361 2.895 129 2HB PRO 18 HB1 PRO 18 1.541 -14.510 3.214 130 1HG PRO 18 HG1 PRO 18 2.323 -16.099 0.709 131 2HG PRO 18 HG2 PRO 18 0.829 -16.296 1.719 132 1HD PRO 18 HD1 PRO 18 0.828 -14.764 -0.580 133 2HD PRO 18 HD2 PRO 18 -0.089 -14.210 0.892 134 H GLY 19 HN GLY 19 4.052 -11.764 0.302 135 1HA GLY 19 HA2 GLY 19 6.677 -12.451 0.640 136 2HA GLY 19 HA1 GLY 19 6.019 -13.304 -0.848 137 H SER 20 HN SER 20 7.709 -10.587 -0.320 138 HA SER 20 HA SER 20 5.878 -8.586 -0.869 139 1HB SER 20 HB2 SER 20 8.948 -8.407 -1.015 140 2HB SER 20 HB1 SER 20 7.772 -7.138 -0.507 141 HG SER 20 HG SER 20 8.796 -8.120 1.249 142 H SER 21 HN SER 21 7.400 -10.751 -3.027 143 HA SER 21 HA SER 21 9.158 -9.636 -4.369 144 1HB SER 21 HB2 SER 21 7.062 -11.336 -5.807 145 2HB SER 21 HB1 SER 21 8.856 -11.327 -6.040 146 HG SER 21 HG SER 21 8.327 -13.023 -4.714 147 H GLY 22 HN GLY 22 5.771 -9.215 -5.594 148 1HA GLY 22 HA2 GLY 22 6.813 -7.692 -7.823 149 2HA GLY 22 HA1 GLY 22 5.098 -8.108 -7.434 150 H CYS 23 HN CYS 23 5.092 -7.090 -4.720 151 HA CYS 23 HA CYS 23 4.409 -4.451 -5.633 152 1HB CYS 23 HB2 CYS 23 2.889 -5.930 -4.164 153 2HB CYS 23 HB1 CYS 23 3.979 -5.481 -2.811 154 H ASP 24 HN ASP 24 7.038 -5.969 -3.907 155 HA ASP 24 HA ASP 24 8.039 -3.772 -2.581 156 1HB ASP 24 HB2 ASP 24 8.896 -6.248 -2.644 157 2HB ASP 24 HB1 ASP 24 9.806 -5.785 -4.113 158 H THR 25 HN THR 25 8.472 -4.772 -6.076 159 HA THR 25 HA THR 25 9.914 -2.587 -6.893 160 HB THR 25 HB THR 25 7.916 -3.390 -8.923 161 HG1 THR 25 HG1 THR 25 7.635 -5.236 -7.820 162 1HG2 THR 25 HG21 THR 25 10.952 -3.908 -8.591 163 2HG2 THR 25 HG22 THR 25 10.199 -2.486 -9.411 164 3HG2 THR 25 HG23 THR 25 9.986 -4.137 -10.097 165 H LEU 26 HN LEU 26 6.361 -3.024 -6.669 166 HA LEU 26 HA LEU 26 5.726 -0.569 -7.879 167 1HB LEU 26 HB2 LEU 26 4.080 -2.147 -5.814 168 2HB LEU 26 HB1 LEU 26 3.449 -0.874 -6.892 169 HG LEU 26 HG LEU 26 4.662 -3.563 -7.803 170 1HD1 LEU 26 HD11 LEU 26 1.715 -2.702 -7.854 171 2HD1 LEU 26 HD12 LEU 26 2.439 -3.773 -6.596 172 3HD1 LEU 26 HD13 LEU 26 2.401 -4.301 -8.314 173 1HD2 LEU 26 HD21 LEU 26 3.744 -3.008 -10.064 174 2HD2 LEU 26 HD22 LEU 26 5.028 -1.862 -9.550 175 3HD2 LEU 26 HD23 LEU 26 3.295 -1.363 -9.470 176 H CYS 27 HN CYS 27 6.126 -1.490 -4.469 177 HA CYS 27 HA CYS 27 5.540 0.850 -3.198 178 1HB CYS 27 HB2 CYS 27 6.182 -1.361 -2.109 179 2HB CYS 27 HB1 CYS 27 7.884 -1.041 -2.539 180 H LYS 28 HN LYS 28 8.649 -0.039 -4.841 181 HA LYS 28 HA LYS 28 10.045 2.237 -4.035 182 1HB LYS 28 HB2 LYS 28 10.365 0.619 -6.647 183 2HB LYS 28 HB1 LYS 28 11.516 1.865 -6.075 184 1HG LYS 28 HG2 LYS 28 10.867 -0.803 -4.693 185 2HG LYS 28 HG1 LYS 28 12.359 -0.401 -5.598 186 1HD LYS 28 HD2 LYS 28 11.386 0.873 -2.954 187 2HD LYS 28 HD1 LYS 28 12.677 -0.348 -3.130 188 1HE LYS 28 HE2 LYS 28 14.143 1.247 -4.321 189 2HE LYS 28 HE1 LYS 28 12.822 2.481 -4.403 190 1HZ LYS 28 HZ1 LYS 28 14.361 2.915 -2.633 191 2HZ LYS 28 HZ2 LYS 28 14.005 1.417 -1.902 192 3HZ LYS 28 HZ3 LYS 28 12.795 2.600 -2.048 193 H GLU 29 HN GLU 29 8.219 1.652 -7.110 194 HA GLU 29 HA GLU 29 8.904 4.241 -8.031 195 1HB GLU 29 HB2 GLU 29 7.158 3.829 -9.853 196 2HB GLU 29 HB1 GLU 29 8.555 2.714 -9.757 197 1HG GLU 29 HG2 GLU 29 7.199 0.995 -8.612 198 2HG GLU 29 HG1 GLU 29 5.756 2.076 -8.635 199 H LYS 30 HN LYS 30 6.278 3.184 -5.939 200 HA LYS 30 HA LYS 30 4.902 5.739 -6.322 201 1HB LYS 30 HB2 LYS 30 4.310 3.288 -4.607 202 2HB LYS 30 HB1 LYS 30 3.536 4.867 -4.273 203 1HG LYS 30 HG2 LYS 30 1.959 3.745 -5.588 204 2HG LYS 30 HG1 LYS 30 2.710 4.987 -6.644 205 1HD LYS 30 HD2 LYS 30 4.139 3.117 -7.662 206 2HD LYS 30 HD1 LYS 30 3.219 1.942 -6.655 207 1HE LYS 30 HE2 LYS 30 1.083 2.688 -7.817 208 2HE LYS 30 HE1 LYS 30 2.058 3.838 -8.822 209 1HZ LYS 30 HZ1 LYS 30 2.240 0.871 -8.777 210 2HZ LYS 30 HZ2 LYS 30 3.318 1.893 -9.609 211 3HZ LYS 30 HZ3 LYS 30 1.673 1.871 -10.026 212 H GLY 31 HN GLY 31 7.647 4.633 -4.605 213 1HA GLY 31 HA2 GLY 31 9.005 6.299 -3.993 214 2HA GLY 31 HA1 GLY 31 7.626 7.283 -3.379 215 H GLY 32 HN GLY 32 7.909 3.807 -2.511 216 1HA GLY 32 HA2 GLY 32 8.503 4.700 0.224 217 2HA GLY 32 HA1 GLY 32 7.898 3.099 -0.353 218 H THR 33 HN THR 33 10.203 3.642 1.450 219 HA THR 33 HA THR 33 12.511 3.048 -0.210 220 HB THR 33 HB THR 33 13.639 3.026 2.119 221 HG1 THR 33 HG1 THR 33 12.427 4.133 3.683 222 1HG2 THR 33 HG21 THR 33 13.727 4.938 0.476 223 2HG2 THR 33 HG22 THR 33 13.647 5.546 2.160 224 3HG2 THR 33 HG23 THR 33 12.176 5.584 1.118 225 H SER 34 HN SER 34 11.582 1.658 2.911 226 HA SER 34 HA SER 34 12.066 -1.026 1.909 227 1HB SER 34 HB2 SER 34 10.964 -0.192 4.669 228 2HB SER 34 HB1 SER 34 11.653 -1.794 4.217 229 HG SER 34 HG SER 34 13.181 -0.558 5.286 230 H GLY 35 HN GLY 35 10.234 -2.786 2.317 231 1HA GLY 35 HA2 GLY 35 7.627 -1.846 2.419 232 2HA GLY 35 HA1 GLY 35 8.194 -2.380 0.754 233 H HIS 36 HN HIS 36 6.374 -4.133 2.073 234 HA HIS 36 HA HIS 36 7.825 -6.469 2.332 235 1HB HIS 36 HB2 HIS 36 6.238 -5.501 4.830 236 2HB HIS 36 HB1 HIS 36 6.991 -7.123 4.624 237 HD1 HIS 36 HD1 HIS 36 9.740 -7.051 4.707 238 HD2 HIS 36 HD2 HIS 36 7.749 -3.578 5.978 239 HE1 HIS 36 HE1 HIS 36 11.407 -5.658 6.022 240 HE2 HIS 36 HE2 HIS 36 10.169 -3.579 6.769 241 H CYS 37 HN CYS 37 5.565 -8.034 3.081 242 HA CYS 37 HA CYS 37 3.187 -6.599 2.606 243 1HB CYS 37 HB2 CYS 37 3.917 -9.109 0.933 244 2HB CYS 37 HB1 CYS 37 2.269 -8.436 1.112 245 H GLY 38 HN GLY 38 1.506 -8.154 3.652 246 1HA GLY 38 HA2 GLY 38 1.896 -10.504 4.800 247 2HA GLY 38 HA1 GLY 38 2.595 -9.241 5.947 248 H PHE 39 HN PHE 39 0.083 -10.087 6.931 249 HA PHE 39 HA PHE 39 -1.829 -8.287 5.601 250 1HB PHE 39 HB2 PHE 39 -2.338 -10.786 5.501 251 2HB PHE 39 HB1 PHE 39 -2.452 -10.771 7.294 252 HD1 PHE 39 HD1 PHE 39 -4.398 -9.826 8.379 253 HD2 PHE 39 HD2 PHE 39 -3.941 -9.387 4.126 254 HE1 PHE 39 HE1 PHE 39 -6.782 -9.211 8.183 255 HE2 PHE 39 HE2 PHE 39 -6.308 -8.717 3.951 256 HZ PHE 39 HZ PHE 39 -7.739 -8.651 5.975 257 H LYS 40 HN LYS 40 -1.549 -6.355 6.802 258 HA LYS 40 HA LYS 40 -2.961 -6.630 9.326 259 1HB LYS 40 HB2 LYS 40 -0.984 -4.326 8.730 260 2HB LYS 40 HB1 LYS 40 -1.937 -4.569 10.217 261 1HG LYS 40 HG2 LYS 40 -0.478 -6.533 10.808 262 2HG LYS 40 HG1 LYS 40 0.330 -6.403 9.206 263 1HD LYS 40 HD2 LYS 40 1.053 -4.047 9.797 264 2HD LYS 40 HD1 LYS 40 0.448 -4.314 11.469 265 1HE LYS 40 HE2 LYS 40 2.102 -6.118 11.831 266 2HE LYS 40 HE1 LYS 40 2.589 -6.092 10.085 267 1HZ LYS 40 HZ1 LYS 40 2.876 -3.785 11.937 268 2HZ LYS 40 HZ2 LYS 40 3.449 -3.927 10.344 269 3HZ LYS 40 HZ3 LYS 40 4.102 -4.900 11.571 270 H VAL 41 HN VAL 41 -4.881 -6.486 7.799 271 HA VAL 41 HA VAL 41 -5.194 -3.934 6.659 272 HB VAL 41 HB VAL 41 -5.742 -6.160 4.668 273 1HG1 VAL 41 HG11 VAL 41 -5.174 -4.292 3.089 274 2HG1 VAL 41 HG12 VAL 41 -4.715 -3.241 4.481 275 3HG1 VAL 41 HG13 VAL 41 -6.432 -3.774 4.268 276 1HG2 VAL 41 HG21 VAL 41 -3.521 -6.017 3.596 277 2HG2 VAL 41 HG22 VAL 41 -3.416 -6.774 5.219 278 3HG2 VAL 41 HG23 VAL 41 -2.880 -5.062 4.981 279 H GLY 42 HN GLY 42 -7.631 -4.414 5.507 280 1HA GLY 42 HA2 GLY 42 -9.041 -6.548 6.763 281 2HA GLY 42 HA1 GLY 42 -9.436 -4.858 7.337 282 H HIS 43 HN HIS 43 -8.481 -6.411 4.218 283 HA HIS 43 HA HIS 43 -10.910 -5.674 2.919 284 1HB HIS 43 HB2 HIS 43 -8.321 -4.103 2.470 285 2HB HIS 43 HB1 HIS 43 -9.333 -4.503 1.032 286 HD1 HIS 43 HD1 HIS 43 -9.024 -1.782 1.090 287 HD2 HIS 43 HD2 HIS 43 -11.967 -3.509 3.535 288 HE1 HIS 43 HE1 HIS 43 -10.785 -0.018 1.499 289 HE2 HIS 43 HE2 HIS 43 -12.520 -1.081 3.020 290 H GLY 44 HN GLY 44 -7.293 -6.172 2.187 291 1HA GLY 44 HA2 GLY 44 -7.687 -8.847 1.556 292 2HA GLY 44 HA1 GLY 44 -7.577 -7.736 0.090 293 H LEU 45 HN LEU 45 -5.288 -9.238 0.443 294 HA LEU 45 HA LEU 45 -3.573 -8.067 2.409 295 1HB LEU 45 HB2 LEU 45 -3.680 -10.536 1.502 296 2HB LEU 45 HB1 LEU 45 -2.696 -9.935 0.132 297 HG LEU 45 HG LEU 45 -1.869 -9.588 3.089 298 1HD1 LEU 45 HD11 LEU 45 -2.361 -12.003 2.750 299 2HD1 LEU 45 HD12 LEU 45 -0.596 -11.711 2.960 300 3HD1 LEU 45 HD13 LEU 45 -1.268 -12.050 1.319 301 1HD2 LEU 45 HD21 LEU 45 -0.455 -8.300 1.521 302 2HD2 LEU 45 HD22 LEU 45 -0.242 -9.752 0.482 303 3HD2 LEU 45 HD23 LEU 45 0.474 -9.711 2.125 304 H ALA 46 HN ALA 46 -1.623 -6.662 1.798 305 HA ALA 46 HA ALA 46 -1.973 -5.237 -0.657 306 1HB ALA 46 HB1 ALA 46 -3.783 -4.221 0.843 307 2HB ALA 46 HB2 ALA 46 -2.441 -3.050 0.555 308 3HB ALA 46 HB3 ALA 46 -2.575 -3.955 2.114 309 H CYS 47 HN CYS 47 -0.205 -3.014 0.312 310 HA CYS 47 HA CYS 47 2.024 -4.905 0.943 311 1HB CYS 47 HB2 CYS 47 2.619 -2.478 -0.716 312 2HB CYS 47 HB1 CYS 47 3.401 -4.070 -0.672 313 H TRP 48 HN TRP 48 3.885 -3.854 2.043 314 HA TRP 48 HA TRP 48 2.917 -1.620 3.721 315 1HB TRP 48 HB2 TRP 48 3.747 -3.554 5.053 316 2HB TRP 48 HB1 TRP 48 5.247 -3.585 4.064 317 HD1 TRP 48 HD1 TRP 48 7.190 -1.816 4.696 318 HE1 TRP 48 HE1 TRP 48 7.582 -0.250 6.617 319 HE3 TRP 48 HE3 TRP 48 2.545 -2.113 6.715 320 HZ2 TRP 48 HZ2 TRP 48 5.990 0.766 8.896 321 HZ3 TRP 48 HZ3 TRP 48 2.001 -0.826 8.762 322 HH2 TRP 48 HH2 TRP 48 3.726 0.597 9.831 323 H CYS 49 HN CYS 49 4.324 0.309 3.758 324 HA CYS 49 HA CYS 49 6.715 0.153 2.171 325 1HB CYS 49 HB2 CYS 49 4.463 2.175 1.640 326 2HB CYS 49 HB1 CYS 49 6.182 2.517 1.226 327 H ASN 50 HN ASN 50 8.224 1.581 3.056 328 HA ASN 50 HA ASN 50 7.313 3.155 5.394 329 1HB ASN 50 HB2 ASN 50 10.064 2.015 4.584 330 2HB ASN 50 HB1 ASN 50 9.944 3.410 5.701 331 1HD2 ASN 50 HD21 ASN 50 8.947 3.119 7.816 332 2HD2 ASN 50 HD22 ASN 50 8.898 1.544 8.544 333 H ALA 51 HN ALA 51 7.698 5.375 5.273 334 HA ALA 51 HA ALA 51 8.423 7.263 4.689 335 1HB ALA 51 HB1 ALA 51 10.526 5.972 2.905 336 2HB ALA 51 HB2 ALA 51 10.731 6.356 4.659 337 3HB ALA 51 HB3 ALA 51 10.498 7.683 3.456 338 H LEU 52 HN LEU 52 6.162 6.302 3.385 339 HA LEU 52 HA LEU 52 6.428 7.006 0.602 340 1HB LEU 52 HB2 LEU 52 3.950 6.516 2.334 341 2HB LEU 52 HB1 LEU 52 3.838 7.145 0.659 342 HG LEU 52 HG LEU 52 5.158 4.496 1.414 343 1HD1 LEU 52 HD11 LEU 52 3.115 3.465 0.407 344 2HD1 LEU 52 HD12 LEU 52 2.372 5.095 0.221 345 3HD1 LEU 52 HD13 LEU 52 2.715 4.442 1.872 346 1HD2 LEU 52 HD21 LEU 52 4.434 5.664 -1.369 347 2HD2 LEU 52 HD22 LEU 52 4.992 3.983 -1.052 348 3HD2 LEU 52 HD23 LEU 52 6.068 5.368 -0.709 349 HA PRO 53 HA PRO 53 5.932 11.315 1.729 350 1HB PRO 53 HB2 PRO 53 5.033 11.434 -1.216 351 2HB PRO 53 HB1 PRO 53 6.114 12.609 -0.358 352 1HG PRO 53 HG1 PRO 53 7.173 10.717 -2.009 353 2HG PRO 53 HG2 PRO 53 7.932 10.951 -0.378 354 1HD PRO 53 HD1 PRO 53 5.910 8.795 -1.232 355 2HD PRO 53 HD2 PRO 53 7.425 8.625 -0.254 356 H ASP 54 HN ASP 54 4.150 13.046 1.681 357 HA ASP 54 HA ASP 54 1.860 11.680 2.558 358 1HB ASP 54 HB2 ASP 54 2.447 14.668 2.208 359 2HB ASP 54 HB1 ASP 54 0.983 14.007 3.040 360 H ASN 55 HN ASN 55 2.666 12.617 -0.592 361 HA ASN 55 HA ASN 55 -0.073 13.240 -1.365 362 1HB ASN 55 HB2 ASN 55 0.826 13.517 -3.665 363 2HB ASN 55 HB1 ASN 55 1.736 14.519 -2.492 364 1HD2 ASN 55 HD22 ASN 55 1.945 11.765 -4.724 365 2HD2 ASN 55 HD21 ASN 55 3.661 11.514 -4.570 366 H VAL 56 HN VAL 56 1.522 10.413 -0.527 367 HA VAL 56 HA VAL 56 0.358 8.873 -2.730 368 HB VAL 56 HB VAL 56 1.957 7.797 -0.360 369 1HG1 VAL 56 HG11 VAL 56 1.317 6.783 -3.230 370 2HG1 VAL 56 HG12 VAL 56 0.622 6.152 -1.690 371 3HG1 VAL 56 HG13 VAL 56 2.370 5.932 -2.048 372 1HG2 VAL 56 HG21 VAL 56 3.981 7.939 -1.875 373 2HG2 VAL 56 HG22 VAL 56 3.389 9.538 -1.362 374 3HG2 VAL 56 HG23 VAL 56 3.024 8.966 -3.017 375 H GLY 57 HN GLY 57 -1.702 7.977 -2.298 376 1HA GLY 57 HA2 GLY 57 -2.660 8.393 0.452 377 2HA GLY 57 HA1 GLY 57 -3.654 8.291 -1.082 378 H ILE 58 HN ILE 58 -3.865 6.556 1.385 379 HA ILE 58 HA ILE 58 -2.903 4.027 0.407 380 HB ILE 58 HB ILE 58 -1.688 3.652 2.563 381 1HG1 ILE 58 HG12 ILE 58 -1.831 6.697 2.975 382 2HG1 ILE 58 HG11 ILE 58 -2.811 5.505 3.899 383 1HG2 ILE 58 HG21 ILE 58 -0.607 4.339 0.342 384 2HG2 ILE 58 HG22 ILE 58 0.372 4.573 1.837 385 3HG2 ILE 58 HG23 ILE 58 -0.419 5.990 1.040 386 1HD1 ILE 58 HD11 ILE 58 -0.840 6.054 5.228 387 2HD1 ILE 58 HD12 ILE 58 0.271 5.668 3.861 388 3HD1 ILE 58 HD13 ILE 58 -0.691 4.353 4.648 389 H ILE 59 HN ILE 59 -3.282 2.652 2.781 390 HA ILE 59 HA ILE 59 -5.905 2.133 2.572 391 HB ILE 59 HB ILE 59 -4.117 1.490 4.949 392 1HG1 ILE 59 HG12 ILE 59 -2.990 0.780 2.890 393 2HG1 ILE 59 HG11 ILE 59 -3.605 -0.616 3.823 394 1HG2 ILE 59 HG21 ILE 59 -6.477 1.008 5.485 395 2HG2 ILE 59 HG22 ILE 59 -5.613 -0.539 5.169 396 3HG2 ILE 59 HG23 ILE 59 -6.714 0.155 3.917 397 1HD1 ILE 59 HD11 ILE 59 -5.458 -0.931 2.245 398 2HD1 ILE 59 HD12 ILE 59 -3.876 -0.896 1.360 399 3HD1 ILE 59 HD13 ILE 59 -4.994 0.516 1.318 400 H VAL 60 HN VAL 60 -7.542 3.274 2.986 401 HA VAL 60 HA VAL 60 -8.019 4.323 5.685 402 HB VAL 60 HB VAL 60 -8.778 5.260 2.863 403 1HG1 VAL 60 HG11 VAL 60 -10.504 6.787 3.769 404 2HG1 VAL 60 HG12 VAL 60 -10.372 6.006 5.393 405 3HG1 VAL 60 HG13 VAL 60 -10.973 5.069 3.963 406 1HG2 VAL 60 HG21 VAL 60 -7.757 6.732 5.391 407 2HG2 VAL 60 HG22 VAL 60 -8.039 7.480 3.779 408 3HG2 VAL 60 HG23 VAL 60 -6.757 6.232 3.983 409 H GLU 61 HN GLU 61 -10.593 3.651 6.140 410 HA GLU 61 HA GLU 61 -11.467 1.507 4.550 411 1HB GLU 61 HB2 GLU 61 -9.666 0.379 5.893 412 2HB GLU 61 HB1 GLU 61 -10.383 1.033 7.415 413 1HG GLU 61 HG2 GLU 61 -12.465 -0.393 6.935 414 2HG GLU 61 HG1 GLU 61 -11.614 -1.060 5.488 415 H GLY 62 HN GLY 62 -13.657 0.967 5.784 416 1HA GLY 62 HA2 GLY 62 -15.445 1.718 6.913 417 2HA GLY 62 HA1 GLY 62 -14.544 3.208 7.402 418 H GLU 63 HN GLU 63 -13.890 2.692 4.229 419 HA GLU 63 HA GLU 63 -15.959 4.573 3.348 420 1HB GLU 63 HB2 GLU 63 -13.656 5.560 3.689 421 2HB GLU 63 HB1 GLU 63 -13.019 4.431 2.469 422 1HG GLU 63 HG2 GLU 63 -14.705 5.513 0.789 423 2HG GLU 63 HG1 GLU 63 -15.121 6.683 2.094 424 H LYS 64 HN LYS 64 -13.396 2.897 1.367 425 HA LYS 64 HA LYS 64 -15.207 1.247 0.037 426 1HB LYS 64 HB2 LYS 64 -15.780 3.952 -0.479 427 2HB LYS 64 HB1 LYS 64 -14.564 3.659 -1.738 428 1HG LYS 64 HG2 LYS 64 -16.024 1.796 -2.648 429 2HG LYS 64 HG1 LYS 64 -17.105 1.973 -1.231 430 1HD LYS 64 HD2 LYS 64 -18.203 3.092 -3.039 431 2HD LYS 64 HD1 LYS 64 -17.614 4.349 -1.916 432 1HE LYS 64 HE2 LYS 64 -17.234 5.089 -4.223 433 2HE LYS 64 HE1 LYS 64 -15.610 4.740 -3.501 434 1HZ LYS 64 HZ1 LYS 64 -17.170 2.866 -5.200 435 2HZ LYS 64 HZ2 LYS 64 -15.595 2.641 -4.609 436 3HZ LYS 64 HZ3 LYS 64 -15.913 3.870 -5.739 437 H CYS 65 HN CYS 65 -13.968 1.507 -2.523 438 HA CYS 65 HA CYS 65 -11.163 1.810 -2.321 439 1HB CYS 65 HB2 CYS 65 -11.209 -0.665 -2.127 440 2HB CYS 65 HB1 CYS 65 -12.681 -0.767 -3.108 441 H HIS 66 HN HIS 66 -10.795 2.668 -4.561 442 HA HIS 66 HA HIS 66 -13.356 3.704 -5.562 443 1HB HIS 66 HB2 HIS 66 -10.540 4.868 -5.874 444 2HB HIS 66 HB1 HIS 66 -12.068 5.591 -6.495 445 HD1 HIS 66 HD1 HIS 66 -10.324 4.818 -3.225 446 HD2 HIS 66 HD2 HIS 66 -13.605 7.030 -4.615 447 HE1 HIS 66 HE1 HIS 66 -11.064 6.323 -1.333 448 HE2 HIS 66 HE2 HIS 66 -13.092 7.590 -2.184 449 H SER 67 HN SER 67 -13.008 4.476 -8.034 450 HA SER 67 HA SER 67 -11.516 3.083 -9.796 451 1HB SER 67 HB2 SER 67 -14.435 2.061 -9.331 452 2HB SER 67 HB1 SER 67 -13.539 1.837 -10.882 453 HG SER 67 HG SER 67 -12.387 1.020 -8.434 454 1HN NH2 68 H1 NH2 68 -12.899 3.959 -11.955 455 2HN NH2 68 H2 NH2 68 -13.678 5.484 -11.677 Start of MODEL 28 1 1H VAL 1 HT1 VAL 1 5.981 12.402 6.701 2 2H VAL 1 HT2 VAL 1 7.198 12.447 5.513 3 3H VAL 1 HT3 VAL 1 7.526 11.793 7.050 4 HA VAL 1 HA VAL 1 5.667 10.738 5.049 5 HB VAL 1 HB VAL 1 7.192 8.723 5.027 6 1HG1 VAL 1 HG11 VAL 1 7.329 10.457 3.255 7 2HG1 VAL 1 HG12 VAL 1 8.938 9.750 3.601 8 3HG1 VAL 1 HG13 VAL 1 8.524 11.393 4.224 9 1HG2 VAL 1 HG21 VAL 1 8.281 9.107 7.297 10 2HG2 VAL 1 HG22 VAL 1 9.148 10.531 6.614 11 3HG2 VAL 1 HG23 VAL 1 9.470 8.883 5.968 12 H ARG 2 HN ARG 2 4.954 8.376 5.649 13 HA ARG 2 HA ARG 2 5.011 7.856 8.447 14 1HB ARG 2 HB2 ARG 2 2.716 7.542 8.906 15 2HB ARG 2 HB1 ARG 2 2.851 9.200 8.251 16 1HG ARG 2 HG2 ARG 2 1.758 6.709 6.820 17 2HG ARG 2 HG1 ARG 2 0.808 8.055 7.511 18 1HD ARG 2 HD2 ARG 2 1.619 9.652 5.819 19 2HD ARG 2 HD1 ARG 2 2.778 8.446 5.161 20 HE ARG 2 HE ARG 2 -0.031 8.623 4.447 21 1HH1 ARG 2 HH11 ARG 2 2.317 6.038 5.205 22 2HH1 ARG 2 HH12 ARG 2 2.030 5.198 3.719 23 1HH2 ARG 2 HH21 ARG 2 -0.250 7.602 2.422 24 2HH2 ARG 2 HH22 ARG 2 0.517 6.073 2.136 25 H ASP 3 HN ASP 3 3.555 5.411 8.324 26 HA ASP 3 HA ASP 3 4.744 4.082 6.020 27 1HB ASP 3 HB2 ASP 3 4.883 2.998 8.930 28 2HB ASP 3 HB1 ASP 3 5.518 2.218 7.440 29 H GLY 4 HN GLY 4 3.250 2.165 5.555 30 1HA GLY 4 HA2 GLY 4 1.029 1.899 7.274 31 2HA GLY 4 HA1 GLY 4 0.668 2.867 5.783 32 H TYR 5 HN TYR 5 -0.781 0.680 5.895 33 HA TYR 5 HA TYR 5 0.445 -1.473 4.402 34 1HB TYR 5 HB2 TYR 5 -2.415 -0.716 5.288 35 2HB TYR 5 HB1 TYR 5 -2.155 -2.002 4.070 36 HD1 TYR 5 HD1 TYR 5 -0.927 -4.054 4.644 37 HD2 TYR 5 HD2 TYR 5 -1.864 -1.109 7.636 38 HE1 TYR 5 HE1 TYR 5 -0.683 -5.759 6.378 39 HE2 TYR 5 HE2 TYR 5 -1.583 -2.817 9.396 40 HH TYR 5 HH TYR 5 -1.415 -6.247 8.613 41 H ILE 6 HN ILE 6 0.559 -1.290 2.039 42 HA ILE 6 HA ILE 6 -0.622 1.233 1.096 43 HB ILE 6 HB ILE 6 1.798 0.986 0.704 44 1HG1 ILE 6 HG12 ILE 6 -0.015 1.384 -1.752 45 2HG1 ILE 6 HG11 ILE 6 0.353 2.604 -0.482 46 1HG2 ILE 6 HG21 ILE 6 1.920 -1.401 0.132 47 2HG2 ILE 6 HG22 ILE 6 2.526 -0.428 -1.245 48 3HG2 ILE 6 HG23 ILE 6 0.890 -1.142 -1.339 49 1HD1 ILE 6 HD11 ILE 6 2.785 2.519 -1.177 50 2HD1 ILE 6 HD12 ILE 6 1.683 3.042 -2.485 51 3HD1 ILE 6 HD13 ILE 6 2.343 1.371 -2.501 52 H ALA 7 HN ALA 7 -1.916 1.454 -0.364 53 HA ALA 7 HA ALA 7 -3.700 -0.664 -1.117 54 1HB ALA 7 HB1 ALA 7 -5.126 1.245 -1.924 55 2HB ALA 7 HB2 ALA 7 -3.771 2.390 -1.616 56 3HB ALA 7 HB3 ALA 7 -4.578 1.542 -0.246 57 H GLN 8 HN GLN 8 -4.710 -0.418 -3.257 58 HA GLN 8 HA GLN 8 -2.794 -0.249 -5.417 59 1HB GLN 8 HB2 GLN 8 -4.304 -2.243 -4.966 60 2HB GLN 8 HB1 GLN 8 -5.730 -1.185 -5.097 61 1HG GLN 8 HG2 GLN 8 -5.258 -0.931 -7.583 62 2HG GLN 8 HG1 GLN 8 -3.765 -1.912 -7.386 63 1HE2 GLN 8 HE22 GLN 8 -7.326 -1.937 -6.662 64 2HE2 GLN 8 HE21 GLN 8 -7.493 -3.669 -6.687 65 HA PRO 9 HA PRO 9 -5.159 3.511 -6.468 66 1HB PRO 9 HB2 PRO 9 -4.576 2.490 -9.316 67 2HB PRO 9 HB1 PRO 9 -4.503 4.199 -8.722 68 1HG PRO 9 HG1 PRO 9 -2.194 2.774 -8.995 69 2HG PRO 9 HG2 PRO 9 -2.458 3.732 -7.475 70 1HD PRO 9 HD1 PRO 9 -2.864 0.712 -7.896 71 2HD PRO 9 HD2 PRO 9 -2.086 1.592 -6.503 72 H GLU 10 HN GLU 10 -8.430 2.213 -7.346 73 HA GLU 10 HA GLU 10 -7.071 4.691 -7.304 74 1HB GLU 10 HB2 GLU 10 -9.919 3.997 -6.426 75 2HB GLU 10 HB1 GLU 10 -9.254 5.649 -6.689 76 1HG GLU 10 HG2 GLU 10 -8.839 5.118 -9.099 77 2HG GLU 10 HG1 GLU 10 -9.514 3.463 -8.877 78 H ASN 11 HN ASN 11 -8.619 2.611 -4.652 79 HA ASN 11 HA ASN 11 -6.478 2.985 -3.092 80 1HB ASN 11 HB2 ASN 11 -7.688 5.289 -2.577 81 2HB ASN 11 HB1 ASN 11 -9.065 4.309 -1.957 82 1HD2 ASN 11 HD21 ASN 11 -8.830 4.520 0.364 83 2HD2 ASN 11 HD22 ASN 11 -7.263 4.596 1.178 84 H CYS 12 HN CYS 12 -7.146 1.330 -1.328 85 HA CYS 12 HA CYS 12 -9.222 -0.056 -0.739 86 1HB CYS 12 HB2 CYS 12 -8.308 -1.178 -3.456 87 2HB CYS 12 HB1 CYS 12 -9.130 -2.190 -2.215 88 H VAL 13 HN VAL 13 -7.615 -2.652 -1.450 89 HA VAL 13 HA VAL 13 -5.134 -1.943 -0.084 90 HB VAL 13 HB VAL 13 -4.925 -4.456 0.300 91 1HG1 VAL 13 HG11 VAL 13 -5.379 -2.971 2.179 92 2HG1 VAL 13 HG12 VAL 13 -6.381 -4.445 2.345 93 3HG1 VAL 13 HG13 VAL 13 -7.134 -2.903 1.776 94 1HG2 VAL 13 HG21 VAL 13 -6.676 -5.201 -1.330 95 2HG2 VAL 13 HG22 VAL 13 -7.966 -4.468 -0.294 96 3HG2 VAL 13 HG23 VAL 13 -6.962 -5.832 0.322 97 H TYR 14 HN TYR 14 -3.322 -3.219 -1.070 98 HA TYR 14 HA TYR 14 -3.774 -3.767 -3.895 99 1HB TYR 14 HB2 TYR 14 -1.432 -2.804 -2.368 100 2HB TYR 14 HB1 TYR 14 -1.010 -4.404 -3.009 101 HD1 TYR 14 HD1 TYR 14 -0.228 -1.315 -3.722 102 HD2 TYR 14 HD2 TYR 14 -2.321 -4.551 -5.646 103 HE1 TYR 14 HE1 TYR 14 0.234 -0.312 -5.913 104 HE2 TYR 14 HE2 TYR 14 -1.836 -3.583 -7.823 105 HH TYR 14 HH TYR 14 -1.053 -1.757 -8.941 106 H HIS 15 HN HIS 15 -1.866 -6.107 -3.955 107 HA HIS 15 HA HIS 15 -2.644 -7.721 -1.759 108 1HB HIS 15 HB2 HIS 15 -3.184 -8.565 -4.694 109 2HB HIS 15 HB1 HIS 15 -2.929 -9.727 -3.341 110 HD1 HIS 15 HD1 HIS 15 -5.405 -7.030 -4.411 111 HD2 HIS 15 HD2 HIS 15 -5.071 -10.133 -1.605 112 HE1 HIS 15 HE1 HIS 15 -7.655 -7.255 -3.267 113 HE2 HIS 15 HE2 HIS 15 -7.408 -9.130 -1.578 114 H CYS 16 HN CYS 16 -0.764 -9.617 -2.151 115 HA CYS 16 HA CYS 16 1.503 -8.017 -3.003 116 1HB CYS 16 HB2 CYS 16 0.871 -7.748 -0.421 117 2HB CYS 16 HB1 CYS 16 1.356 -9.453 -0.264 118 H PHE 17 HN PHE 17 3.413 -9.628 -2.903 119 HA PHE 17 HA PHE 17 2.468 -12.274 -3.709 120 1HB PHE 17 HB2 PHE 17 5.114 -10.752 -4.358 121 2HB PHE 17 HB1 PHE 17 4.649 -12.384 -4.955 122 HD1 PHE 17 HD1 PHE 17 2.944 -12.612 -6.688 123 HD2 PHE 17 HD2 PHE 17 4.065 -8.714 -5.262 124 HE1 PHE 17 HE1 PHE 17 1.802 -11.575 -8.627 125 HE2 PHE 17 HE2 PHE 17 2.924 -7.679 -7.197 126 HZ PHE 17 HZ PHE 17 1.805 -9.109 -8.887 127 HA PRO 18 HA PRO 18 4.673 -12.713 0.282 128 1HB PRO 18 HB2 PRO 18 4.574 -15.614 -0.769 129 2HB PRO 18 HB1 PRO 18 4.445 -15.081 0.957 130 1HG PRO 18 HG1 PRO 18 2.187 -15.622 -0.510 131 2HG PRO 18 HG2 PRO 18 2.234 -14.176 0.584 132 1HD PRO 18 HD1 PRO 18 2.336 -14.211 -2.441 133 2HD PRO 18 HD2 PRO 18 1.827 -12.913 -1.289 134 H GLY 19 HN GLY 19 6.304 -11.947 -1.957 135 1HA GLY 19 HA2 GLY 19 8.819 -12.728 -0.953 136 2HA GLY 19 HA1 GLY 19 8.501 -13.205 -2.709 137 H SER 20 HN SER 20 9.396 -10.501 -0.720 138 HA SER 20 HA SER 20 7.409 -8.821 -1.078 139 1HB SER 20 HB2 SER 20 10.381 -8.035 -0.807 140 2HB SER 20 HB1 SER 20 8.955 -7.096 -0.222 141 HG SER 20 HG SER 20 9.944 -8.319 1.415 142 H SER 21 HN SER 21 10.072 -9.339 -3.371 143 HA SER 21 HA SER 21 10.556 -7.069 -4.420 144 1HB SER 21 HB2 SER 21 10.225 -9.610 -6.093 145 2HB SER 21 HB1 SER 21 11.416 -8.272 -6.349 146 HG SER 21 HG SER 21 12.352 -10.004 -5.230 147 H GLY 22 HN GLY 22 7.625 -8.904 -5.518 148 1HA GLY 22 HA2 GLY 22 7.120 -7.186 -7.674 149 2HA GLY 22 HA1 GLY 22 5.915 -8.179 -6.773 150 H CYS 23 HN CYS 23 5.788 -7.044 -4.281 151 HA CYS 23 HA CYS 23 4.403 -4.632 -5.071 152 1HB CYS 23 HB2 CYS 23 3.585 -6.524 -3.358 153 2HB CYS 23 HB1 CYS 23 4.393 -5.461 -2.162 154 H ASP 24 HN ASP 24 7.405 -5.545 -3.449 155 HA ASP 24 HA ASP 24 8.000 -3.050 -2.327 156 1HB ASP 24 HB2 ASP 24 9.355 -5.091 -1.885 157 2HB ASP 24 HB1 ASP 24 9.849 -5.144 -3.610 158 H THR 25 HN THR 25 8.127 -4.247 -5.720 159 HA THR 25 HA THR 25 9.534 -1.970 -6.679 160 HB THR 25 HB THR 25 7.665 -3.813 -8.232 161 HG1 THR 25 HG1 THR 25 9.308 -5.025 -7.199 162 1HG2 THR 25 HG21 THR 25 9.154 -3.135 -10.169 163 2HG2 THR 25 HG22 THR 25 10.072 -2.035 -9.075 164 3HG2 THR 25 HG23 THR 25 8.345 -1.702 -9.457 165 H LEU 26 HN LEU 26 6.039 -2.849 -6.333 166 HA LEU 26 HA LEU 26 5.064 -0.522 -7.593 167 1HB LEU 26 HB2 LEU 26 3.819 -2.379 -5.481 168 2HB LEU 26 HB1 LEU 26 3.004 -0.874 -5.974 169 HG LEU 26 HG LEU 26 1.990 -2.644 -7.154 170 1HD1 LEU 26 HD11 LEU 26 2.065 -1.826 -9.434 171 2HD1 LEU 26 HD12 LEU 26 3.700 -1.111 -9.214 172 3HD1 LEU 26 HD13 LEU 26 2.283 -0.434 -8.325 173 1HD2 LEU 26 HD21 LEU 26 3.101 -4.075 -8.858 174 2HD2 LEU 26 HD22 LEU 26 3.708 -4.380 -7.194 175 3HD2 LEU 26 HD23 LEU 26 4.711 -3.436 -8.362 176 H CYS 27 HN CYS 27 5.969 -1.269 -4.223 177 HA CYS 27 HA CYS 27 5.220 1.073 -3.054 178 1HB CYS 27 HB2 CYS 27 6.192 -1.073 -1.973 179 2HB CYS 27 HB1 CYS 27 7.818 -0.430 -2.361 180 H LYS 28 HN LYS 28 8.253 0.376 -4.890 181 HA LYS 28 HA LYS 28 9.557 2.765 -4.242 182 1HB LYS 28 HB2 LYS 28 9.733 1.041 -6.791 183 2HB LYS 28 HB1 LYS 28 10.815 2.437 -6.472 184 1HG LYS 28 HG2 LYS 28 10.635 -0.024 -4.634 185 2HG LYS 28 HG1 LYS 28 11.790 0.161 -5.994 186 1HD LYS 28 HD2 LYS 28 12.667 2.278 -4.919 187 2HD LYS 28 HD1 LYS 28 11.637 1.958 -3.485 188 1HE LYS 28 HE2 LYS 28 13.817 0.034 -4.573 189 2HE LYS 28 HE1 LYS 28 14.028 1.181 -3.187 190 1HZ LYS 28 HZ1 LYS 28 12.324 0.054 -2.007 191 2HZ LYS 28 HZ2 LYS 28 13.508 -1.062 -2.493 192 3HZ LYS 28 HZ3 LYS 28 12.014 -1.007 -3.302 193 H GLU 29 HN GLU 29 7.464 1.954 -7.087 194 HA GLU 29 HA GLU 29 7.838 4.526 -8.205 195 1HB GLU 29 HB2 GLU 29 6.041 3.903 -9.825 196 2HB GLU 29 HB1 GLU 29 7.391 2.729 -9.709 197 1HG GLU 29 HG2 GLU 29 5.986 1.246 -8.269 198 2HG GLU 29 HG1 GLU 29 4.618 2.416 -8.378 199 H LYS 30 HN LYS 30 5.663 3.412 -5.711 200 HA LYS 30 HA LYS 30 3.934 5.744 -6.066 201 1HB LYS 30 HB2 LYS 30 3.943 3.563 -3.911 202 2HB LYS 30 HB1 LYS 30 2.757 4.902 -4.005 203 1HG LYS 30 HG2 LYS 30 3.160 2.694 -6.121 204 2HG LYS 30 HG1 LYS 30 1.867 2.739 -4.889 205 1HD LYS 30 HD2 LYS 30 2.263 4.719 -7.223 206 2HD LYS 30 HD1 LYS 30 1.063 3.399 -7.137 207 1HE LYS 30 HE2 LYS 30 1.118 5.897 -5.301 208 2HE LYS 30 HE1 LYS 30 -0.018 5.579 -6.673 209 1HZ LYS 30 HZ1 LYS 30 -0.819 3.642 -5.472 210 2HZ LYS 30 HZ2 LYS 30 -1.012 5.077 -4.582 211 3HZ LYS 30 HZ3 LYS 30 0.223 3.983 -4.177 212 H GLY 31 HN GLY 31 7.026 5.269 -4.799 213 1HA GLY 31 HA2 GLY 31 8.193 6.981 -3.987 214 2HA GLY 31 HA1 GLY 31 6.699 7.783 -3.384 215 H GLY 32 HN GLY 32 7.274 4.344 -2.619 216 1HA GLY 32 HA2 GLY 32 7.879 5.128 0.138 217 2HA GLY 32 HA1 GLY 32 7.365 3.528 -0.514 218 H THR 33 HN THR 33 9.730 3.934 1.216 219 HA THR 33 HA THR 33 11.959 4.112 -0.612 220 HB THR 33 HB THR 33 13.319 3.626 1.465 221 HG1 THR 33 HG1 THR 33 11.821 2.475 2.690 222 1HG2 THR 33 HG21 THR 33 12.742 5.969 0.732 223 2HG2 THR 33 HG22 THR 33 12.796 5.835 2.526 224 3HG2 THR 33 HG23 THR 33 11.210 5.897 1.674 225 H SER 34 HN SER 34 10.058 1.653 1.187 226 HA SER 34 HA SER 34 11.342 -0.533 -0.073 227 1HB SER 34 HB2 SER 34 11.816 -1.321 2.523 228 2HB SER 34 HB1 SER 34 13.082 -0.456 1.580 229 HG SER 34 HG SER 34 12.801 0.481 3.600 230 H GLY 35 HN GLY 35 9.842 -2.485 0.699 231 1HA GLY 35 HA2 GLY 35 7.669 -1.851 2.296 232 2HA GLY 35 HA1 GLY 35 7.301 -1.711 0.505 233 H HIS 36 HN HIS 36 6.018 -3.780 1.613 234 HA HIS 36 HA HIS 36 7.145 -6.080 0.579 235 1HB HIS 36 HB2 HIS 36 7.446 -7.381 2.833 236 2HB HIS 36 HB1 HIS 36 8.752 -6.300 2.315 237 HD1 HIS 36 HD1 HIS 36 5.875 -6.133 4.854 238 HD2 HIS 36 HD2 HIS 36 9.615 -4.421 4.006 239 HE1 HIS 36 HE1 HIS 36 6.507 -4.685 6.832 240 HE2 HIS 36 HE2 HIS 36 8.763 -3.667 6.284 241 H CYS 37 HN CYS 37 5.567 -7.417 3.096 242 HA CYS 37 HA CYS 37 2.962 -6.787 1.901 243 1HB CYS 37 HB2 CYS 37 3.976 -9.533 2.901 244 2HB CYS 37 HB1 CYS 37 2.374 -9.191 2.169 245 H GLY 38 HN GLY 38 1.329 -8.142 3.653 246 1HA GLY 38 HA2 GLY 38 2.229 -8.375 6.195 247 2HA GLY 38 HA1 GLY 38 1.344 -6.775 5.968 248 H PHE 39 HN PHE 39 -0.517 -8.145 7.210 249 HA PHE 39 HA PHE 39 -2.213 -9.039 5.130 250 1HB PHE 39 HB2 PHE 39 -1.274 -11.266 6.164 251 2HB PHE 39 HB1 PHE 39 -1.827 -10.674 7.775 252 HD1 PHE 39 HD1 PHE 39 -4.079 -11.165 8.423 253 HD2 PHE 39 HD2 PHE 39 -3.029 -11.269 4.258 254 HE1 PHE 39 HE1 PHE 39 -6.364 -11.887 7.864 255 HE2 PHE 39 HE2 PHE 39 -5.321 -11.991 3.696 256 HZ PHE 39 HZ PHE 39 -6.992 -12.336 5.501 257 H LYS 40 HN LYS 40 -4.464 -8.600 6.187 258 HA LYS 40 HA LYS 40 -4.662 -7.597 8.708 259 1HB LYS 40 HB2 LYS 40 -5.682 -5.356 8.004 260 2HB LYS 40 HB1 LYS 40 -3.895 -5.369 7.897 261 1HG LYS 40 HG2 LYS 40 -3.955 -5.745 5.473 262 2HG LYS 40 HG1 LYS 40 -5.744 -5.833 5.469 263 1HD LYS 40 HD2 LYS 40 -4.048 -3.381 6.259 264 2HD LYS 40 HD1 LYS 40 -4.850 -3.627 4.671 265 1HE LYS 40 HE2 LYS 40 -6.275 -3.260 7.400 266 2HE LYS 40 HE1 LYS 40 -6.175 -2.073 6.043 267 1HZ LYS 40 HZ1 LYS 40 -8.244 -3.155 5.970 268 2HZ LYS 40 HZ2 LYS 40 -7.550 -4.701 6.067 269 3HZ LYS 40 HZ3 LYS 40 -7.334 -3.756 4.668 270 H VAL 41 HN VAL 41 -7.338 -6.769 8.284 271 HA VAL 41 HA VAL 41 -8.444 -8.382 6.240 272 HB VAL 41 HB VAL 41 -10.109 -8.836 8.567 273 1HG1 VAL 41 HG11 VAL 41 -9.708 -11.247 7.956 274 2HG1 VAL 41 HG12 VAL 41 -8.343 -10.740 6.892 275 3HG1 VAL 41 HG13 VAL 41 -10.025 -10.229 6.501 276 1HG2 VAL 41 HG21 VAL 41 -8.075 -8.530 10.024 277 2HG2 VAL 41 HG22 VAL 41 -7.203 -9.802 9.073 278 3HG2 VAL 41 HG23 VAL 41 -8.660 -10.228 10.035 279 H GLY 42 HN GLY 42 -10.905 -7.559 6.503 280 1HA GLY 42 HA2 GLY 42 -12.192 -5.710 7.279 281 2HA GLY 42 HA1 GLY 42 -10.691 -4.688 7.184 282 H HIS 43 HN HIS 43 -9.468 -5.617 4.968 283 HA HIS 43 HA HIS 43 -11.451 -5.507 2.792 284 1HB HIS 43 HB2 HIS 43 -8.573 -4.442 2.775 285 2HB HIS 43 HB1 HIS 43 -9.608 -4.647 1.313 286 HD1 HIS 43 HD1 HIS 43 -9.073 -2.029 1.057 287 HD2 HIS 43 HD2 HIS 43 -11.518 -2.991 4.332 288 HE1 HIS 43 HE1 HIS 43 -10.111 0.136 1.895 289 HE2 HIS 43 HE2 HIS 43 -11.592 -0.504 3.846 290 H GLY 44 HN GLY 44 -7.854 -6.519 3.314 291 1HA GLY 44 HA2 GLY 44 -8.369 -9.137 3.498 292 2HA GLY 44 HA1 GLY 44 -8.327 -8.733 1.714 293 H LEU 45 HN LEU 45 -6.267 -9.935 1.663 294 HA LEU 45 HA LEU 45 -3.990 -9.218 3.086 295 1HB LEU 45 HB2 LEU 45 -4.439 -11.352 1.736 296 2HB LEU 45 HB1 LEU 45 -4.175 -10.420 0.238 297 HG LEU 45 HG LEU 45 -2.006 -10.498 2.407 298 1HD1 LEU 45 HD11 LEU 45 -1.093 -12.624 1.498 299 2HD1 LEU 45 HD12 LEU 45 -2.492 -12.776 0.378 300 3HD1 LEU 45 HD13 LEU 45 -2.746 -12.879 2.162 301 1HD2 LEU 45 HD21 LEU 45 -1.872 -10.482 -0.679 302 2HD2 LEU 45 HD22 LEU 45 -0.455 -10.526 0.423 303 3HD2 LEU 45 HD23 LEU 45 -1.521 -9.078 0.401 304 H ALA 46 HN ALA 46 -2.216 -7.680 2.467 305 HA ALA 46 HA ALA 46 -3.101 -5.657 0.587 306 1HB ALA 46 HB1 ALA 46 -2.842 -3.951 2.485 307 2HB ALA 46 HB2 ALA 46 -2.554 -5.327 3.628 308 3HB ALA 46 HB3 ALA 46 -4.159 -5.132 2.862 309 H CYS 47 HN CYS 47 -1.066 -3.952 0.624 310 HA CYS 47 HA CYS 47 1.329 -5.639 1.032 311 1HB CYS 47 HB2 CYS 47 0.871 -3.157 -0.694 312 2HB CYS 47 HB1 CYS 47 2.500 -3.855 -0.365 313 H TRP 48 HN TRP 48 3.250 -3.828 1.605 314 HA TRP 48 HA TRP 48 2.128 -1.906 3.474 315 1HB TRP 48 HB2 TRP 48 2.444 -3.885 4.917 316 2HB TRP 48 HB1 TRP 48 4.031 -4.219 4.153 317 HD1 TRP 48 HD1 TRP 48 6.078 -2.532 4.786 318 HE1 TRP 48 HE1 TRP 48 6.548 -1.077 6.768 319 HE3 TRP 48 HE3 TRP 48 1.394 -2.616 6.783 320 HZ2 TRP 48 HZ2 TRP 48 5.084 -0.230 9.175 321 HZ3 TRP 48 HZ3 TRP 48 0.979 -1.461 8.931 322 HH2 TRP 48 HH2 TRP 48 2.801 -0.286 10.111 323 H CYS 49 HN CYS 49 3.627 -0.128 3.735 324 HA CYS 49 HA CYS 49 6.014 -0.286 2.070 325 1HB CYS 49 HB2 CYS 49 3.761 1.783 1.844 326 2HB CYS 49 HB1 CYS 49 5.462 2.282 1.575 327 H ASN 50 HN ASN 50 7.637 1.139 2.798 328 HA ASN 50 HA ASN 50 7.088 2.319 5.427 329 1HB ASN 50 HB2 ASN 50 9.604 1.042 4.204 330 2HB ASN 50 HB1 ASN 50 9.760 2.340 5.436 331 1HD2 ASN 50 HD21 ASN 50 9.845 1.679 7.539 332 2HD2 ASN 50 HD22 ASN 50 9.269 0.162 8.147 333 H ALA 51 HN ALA 51 7.450 4.448 5.569 334 HA ALA 51 HA ALA 51 7.711 6.500 5.106 335 1HB ALA 51 HB1 ALA 51 10.134 5.558 3.519 336 2HB ALA 51 HB2 ALA 51 10.100 5.984 5.267 337 3HB ALA 51 HB3 ALA 51 9.823 7.265 4.021 338 H LEU 52 HN LEU 52 5.623 6.481 3.922 339 HA LEU 52 HA LEU 52 6.059 7.119 1.060 340 1HB LEU 52 HB2 LEU 52 3.452 6.564 2.554 341 2HB LEU 52 HB1 LEU 52 3.524 7.219 0.897 342 HG LEU 52 HG LEU 52 4.731 4.511 1.664 343 1HD1 LEU 52 HD11 LEU 52 1.936 5.048 0.458 344 2HD1 LEU 52 HD12 LEU 52 2.264 4.473 2.141 345 3HD1 LEU 52 HD13 LEU 52 2.687 3.438 0.740 346 1HD2 LEU 52 HD21 LEU 52 5.484 5.659 -0.500 347 2HD2 LEU 52 HD22 LEU 52 3.813 5.520 -1.118 348 3HD2 LEU 52 HD23 LEU 52 4.749 4.031 -0.725 349 HA PRO 53 HA PRO 53 5.389 11.181 2.871 350 1HB PRO 53 HB2 PRO 53 4.442 11.815 0.011 351 2HB PRO 53 HB1 PRO 53 5.508 12.830 1.069 352 1HG PRO 53 HG1 PRO 53 6.613 11.307 -0.896 353 2HG PRO 53 HG2 PRO 53 7.365 11.263 0.756 354 1HD PRO 53 HD1 PRO 53 5.440 9.222 -0.489 355 2HD PRO 53 HD2 PRO 53 6.952 8.948 0.468 356 H ASP 54 HN ASP 54 3.693 12.959 2.955 357 HA ASP 54 HA ASP 54 1.285 11.802 3.776 358 1HB ASP 54 HB2 ASP 54 2.042 14.756 3.266 359 2HB ASP 54 HB1 ASP 54 0.600 14.201 4.200 360 H ASN 55 HN ASN 55 2.311 13.045 0.685 361 HA ASN 55 HA ASN 55 -0.428 13.529 -0.191 362 1HB ASN 55 HB2 ASN 55 0.598 14.303 -2.330 363 2HB ASN 55 HB1 ASN 55 1.220 15.204 -0.909 364 1HD2 ASN 55 HD22 ASN 55 2.145 13.129 -3.600 365 2HD2 ASN 55 HD21 ASN 55 3.840 13.066 -3.227 366 H VAL 56 HN VAL 56 0.800 10.753 0.576 367 HA VAL 56 HA VAL 56 -0.260 9.492 -1.821 368 HB VAL 56 HB VAL 56 1.571 7.928 0.053 369 1HG1 VAL 56 HG11 VAL 56 1.962 6.656 -2.096 370 2HG1 VAL 56 HG12 VAL 56 0.893 7.809 -2.971 371 3HG1 VAL 56 HG13 VAL 56 0.215 6.736 -1.684 372 1HG2 VAL 56 HG21 VAL 56 3.016 9.846 -0.432 373 2HG2 VAL 56 HG22 VAL 56 2.578 9.820 -2.176 374 3HG2 VAL 56 HG23 VAL 56 3.535 8.472 -1.455 375 H GLY 57 HN GLY 57 -1.495 7.331 -0.695 376 1HA GLY 57 HA2 GLY 57 -2.255 7.894 1.967 377 2HA GLY 57 HA1 GLY 57 -3.517 8.216 0.661 378 H ILE 58 HN ILE 58 -4.312 5.958 2.018 379 HA ILE 58 HA ILE 58 -3.214 3.586 0.859 380 HB ILE 58 HB ILE 58 -2.591 2.811 3.236 381 1HG1 ILE 58 HG12 ILE 58 -2.294 5.855 3.651 382 2HG1 ILE 58 HG11 ILE 58 -3.442 4.770 4.505 383 1HG2 ILE 58 HG21 ILE 58 -0.694 4.774 1.831 384 2HG2 ILE 58 HG22 ILE 58 -1.114 3.173 1.193 385 3HG2 ILE 58 HG23 ILE 58 -0.268 3.300 2.776 386 1HD1 ILE 58 HD11 ILE 58 -1.413 5.255 5.866 387 2HD1 ILE 58 HD12 ILE 58 -0.367 4.569 4.582 388 3HD1 ILE 58 HD13 ILE 58 -1.514 3.491 5.453 389 H ILE 59 HN ILE 59 -4.240 2.046 2.964 390 HA ILE 59 HA ILE 59 -6.198 1.315 1.685 391 HB ILE 59 HB ILE 59 -6.197 0.982 4.722 392 1HG1 ILE 59 HG12 ILE 59 -3.920 0.604 4.071 393 2HG1 ILE 59 HG11 ILE 59 -4.723 -0.972 4.298 394 1HG2 ILE 59 HG21 ILE 59 -6.974 -1.381 4.061 395 2HG2 ILE 59 HG22 ILE 59 -7.216 -0.762 2.385 396 3HG2 ILE 59 HG23 ILE 59 -8.184 -0.090 3.744 397 1HD1 ILE 59 HD11 ILE 59 -3.861 0.335 1.660 398 2HD1 ILE 59 HD12 ILE 59 -5.114 -0.946 1.692 399 3HD1 ILE 59 HD13 ILE 59 -3.450 -1.286 2.304 400 H VAL 60 HN VAL 60 -6.996 3.677 4.265 401 HA VAL 60 HA VAL 60 -9.651 3.789 3.049 402 HB VAL 60 HB VAL 60 -10.090 4.299 5.847 403 1HG1 VAL 60 HG11 VAL 60 -11.746 2.440 5.459 404 2HG1 VAL 60 HG12 VAL 60 -10.894 2.019 3.920 405 3HG1 VAL 60 HG13 VAL 60 -11.706 3.622 4.089 406 1HG2 VAL 60 HG21 VAL 60 -8.073 2.824 6.362 407 2HG2 VAL 60 HG22 VAL 60 -8.824 1.495 5.390 408 3HG2 VAL 60 HG23 VAL 60 -9.628 2.098 6.875 409 H GLU 61 HN GLU 61 -7.645 5.089 5.720 410 HA GLU 61 HA GLU 61 -6.451 6.911 5.867 411 1HB GLU 61 HB2 GLU 61 -5.721 6.659 3.547 412 2HB GLU 61 HB1 GLU 61 -7.217 7.406 2.943 413 1HG GLU 61 HG2 GLU 61 -5.455 8.987 2.701 414 2HG GLU 61 HG1 GLU 61 -6.526 9.594 4.009 415 H GLY 62 HN GLY 62 -8.644 8.681 3.738 416 1HA GLY 62 HA2 GLY 62 -10.663 8.935 5.745 417 2HA GLY 62 HA1 GLY 62 -9.736 10.452 5.334 418 H GLU 63 HN GLU 63 -10.188 7.632 3.171 419 HA GLU 63 HA GLU 63 -11.998 9.243 1.516 420 1HB GLU 63 HB2 GLU 63 -9.659 9.268 0.567 421 2HB GLU 63 HB1 GLU 63 -9.665 7.484 0.523 422 1HG GLU 63 HG2 GLU 63 -11.665 7.623 -1.107 423 2HG GLU 63 HG1 GLU 63 -11.557 9.420 -1.016 424 H LYS 64 HN LYS 64 -10.830 5.969 0.690 425 HA LYS 64 HA LYS 64 -12.726 4.449 1.920 426 1HB LYS 64 HB2 LYS 64 -14.325 6.123 0.490 427 2HB LYS 64 HB1 LYS 64 -13.796 5.144 -0.897 428 1HG LYS 64 HG2 LYS 64 -14.688 3.078 0.514 429 2HG LYS 64 HG1 LYS 64 -15.332 4.306 1.650 430 1HD LYS 64 HD2 LYS 64 -16.699 5.291 -0.233 431 2HD LYS 64 HD1 LYS 64 -15.981 4.096 -1.368 432 1HE LYS 64 HE2 LYS 64 -18.251 3.377 -0.703 433 2HE LYS 64 HE1 LYS 64 -17.017 2.205 -0.081 434 1HZ LYS 64 HZ1 LYS 64 -18.679 2.719 1.555 435 2HZ LYS 64 HZ2 LYS 64 -18.328 4.378 1.472 436 3HZ LYS 64 HZ3 LYS 64 -17.160 3.296 2.061 437 H CYS 65 HN CYS 65 -13.327 3.008 -0.690 438 HA CYS 65 HA CYS 65 -10.755 2.196 -1.646 439 1HB CYS 65 HB2 CYS 65 -11.116 0.533 0.167 440 2HB CYS 65 HB1 CYS 65 -12.875 0.599 -0.063 441 H HIS 66 HN HIS 66 -11.286 1.892 -3.977 442 HA HIS 66 HA HIS 66 -13.936 1.597 -4.775 443 1HB HIS 66 HB2 HIS 66 -14.169 3.802 -6.007 444 2HB HIS 66 HB1 HIS 66 -14.337 3.964 -4.234 445 HD1 HIS 66 HD1 HIS 66 -11.585 4.487 -3.200 446 HD2 HIS 66 HD2 HIS 66 -12.971 6.113 -6.814 447 HE1 HIS 66 HE1 HIS 66 -10.268 6.602 -3.627 448 HE2 HIS 66 HE2 HIS 66 -11.146 7.565 -5.799 449 H SER 67 HN SER 67 -13.737 1.435 -7.344 450 HA SER 67 HA SER 67 -11.387 1.713 -8.634 451 1HB SER 67 HB2 SER 67 -11.940 -1.119 -7.445 452 2HB SER 67 HB1 SER 67 -10.961 -0.856 -8.938 453 HG SER 67 HG SER 67 -10.384 0.461 -6.497 454 1HN NH2 68 H1 NH2 68 -12.122 0.120 -10.736 455 2HN NH2 68 H2 NH2 68 -13.844 0.114 -10.970 Start of MODEL 29 1 1H VAL 1 HT1 VAL 1 7.208 13.012 4.849 2 2H VAL 1 HT2 VAL 1 6.698 12.453 6.372 3 3H VAL 1 HT3 VAL 1 5.594 13.227 5.342 4 HA VAL 1 HA VAL 1 5.588 11.504 3.837 5 HB VAL 1 HB VAL 1 6.948 9.361 4.274 6 1HG1 VAL 1 HG11 VAL 1 7.356 10.909 2.436 7 2HG1 VAL 1 HG12 VAL 1 8.907 10.286 3.083 8 3HG1 VAL 1 HG13 VAL 1 8.370 11.974 3.474 9 1HG2 VAL 1 HG21 VAL 1 7.603 9.887 6.662 10 2HG2 VAL 1 HG22 VAL 1 8.625 11.252 6.068 11 3HG2 VAL 1 HG23 VAL 1 9.009 9.563 5.591 12 H ARG 2 HN ARG 2 4.822 9.177 4.134 13 HA ARG 2 HA ARG 2 3.148 9.044 6.557 14 1HB ARG 2 HB2 ARG 2 2.661 7.751 3.798 15 2HB ARG 2 HB1 ARG 2 1.455 7.966 5.112 16 1HG ARG 2 HG2 ARG 2 1.240 10.351 4.552 17 2HG ARG 2 HG1 ARG 2 2.768 10.340 3.619 18 1HD ARG 2 HD2 ARG 2 1.228 10.345 1.907 19 2HD ARG 2 HD1 ARG 2 1.708 8.624 2.009 20 HE ARG 2 HE ARG 2 -0.390 8.076 3.107 21 1HH1 ARG 2 HH21 ARG 2 -0.275 11.441 1.855 22 2HH1 ARG 2 HH22 ARG 2 -1.978 11.687 2.012 23 1HH2 ARG 2 HH11 ARG 2 -2.676 8.467 3.322 24 2HH2 ARG 2 HH12 ARG 2 -3.353 9.983 2.831 25 H ASP 3 HN ASP 3 2.606 6.589 7.090 26 HA ASP 3 HA ASP 3 4.269 4.680 5.764 27 1HB ASP 3 HB2 ASP 3 3.880 4.748 8.856 28 2HB ASP 3 HB1 ASP 3 4.733 3.477 7.907 29 H GLY 4 HN GLY 4 2.614 2.891 5.455 30 1HA GLY 4 HA2 GLY 4 0.448 2.880 7.231 31 2HA GLY 4 HA1 GLY 4 0.016 3.546 5.583 32 H TYR 5 HN TYR 5 -1.213 1.230 6.008 33 HA TYR 5 HA TYR 5 0.324 -0.814 4.627 34 1HB TYR 5 HB2 TYR 5 -2.630 -0.458 5.386 35 2HB TYR 5 HB1 TYR 5 -2.164 -1.638 4.113 36 HD1 TYR 5 HD1 TYR 5 -1.987 -0.791 7.708 37 HD2 TYR 5 HD2 TYR 5 -0.900 -3.653 4.686 38 HE1 TYR 5 HE1 TYR 5 -1.608 -2.489 9.456 39 HE2 TYR 5 HE2 TYR 5 -0.534 -5.357 6.427 40 HH TYR 5 HH TYR 5 -1.417 -5.826 8.736 41 H ILE 6 HN ILE 6 0.355 -0.802 2.333 42 HA ILE 6 HA ILE 6 -0.437 1.776 1.242 43 HB ILE 6 HB ILE 6 1.832 1.265 0.706 44 1HG1 ILE 6 HG12 ILE 6 0.042 1.036 -1.789 45 2HG1 ILE 6 HG11 ILE 6 0.378 2.560 -0.903 46 1HG2 ILE 6 HG21 ILE 6 2.357 -0.699 -0.826 47 2HG2 ILE 6 HG22 ILE 6 0.674 -1.274 -0.613 48 3HG2 ILE 6 HG23 ILE 6 1.798 -1.174 0.804 49 1HD1 ILE 6 HD11 ILE 6 2.832 2.297 -1.451 50 2HD1 ILE 6 HD12 ILE 6 1.798 2.376 -2.923 51 3HD1 ILE 6 HD13 ILE 6 2.449 0.796 -2.375 52 H ALA 7 HN ALA 7 -1.880 2.031 -0.069 53 HA ALA 7 HA ALA 7 -3.694 -0.098 -0.836 54 1HB ALA 7 HB1 ALA 7 -5.366 1.729 -1.252 55 2HB ALA 7 HB2 ALA 7 -4.117 2.945 -0.802 56 3HB ALA 7 HB3 ALA 7 -4.763 1.767 0.407 57 H GLN 8 HN GLN 8 -4.667 2.272 -2.724 58 HA GLN 8 HA GLN 8 -2.693 2.414 -4.726 59 1HB GLN 8 HB2 GLN 8 -5.587 1.356 -5.194 60 2HB GLN 8 HB1 GLN 8 -4.496 1.866 -6.511 61 1HG GLN 8 HG2 GLN 8 -3.014 -0.035 -6.147 62 2HG GLN 8 HG1 GLN 8 -3.833 -0.478 -4.605 63 1HE2 GLN 8 HE22 GLN 8 -5.387 -2.091 -4.793 64 2HE2 GLN 8 HE21 GLN 8 -6.299 -2.420 -6.240 65 HA PRO 9 HA PRO 9 -5.098 6.113 -3.995 66 1HB PRO 9 HB2 PRO 9 -5.199 7.431 -6.500 67 2HB PRO 9 HB1 PRO 9 -3.726 7.368 -5.455 68 1HG PRO 9 HG1 PRO 9 -4.442 5.550 -7.813 69 2HG PRO 9 HG2 PRO 9 -2.861 6.375 -7.477 70 1HD PRO 9 HD1 PRO 9 -3.332 3.727 -6.820 71 2HD PRO 9 HD2 PRO 9 -2.334 4.789 -5.721 72 H GLU 10 HN GLU 10 -8.522 5.649 -4.972 73 HA GLU 10 HA GLU 10 -6.676 7.648 -3.859 74 1HB GLU 10 HB2 GLU 10 -9.699 7.281 -3.995 75 2HB GLU 10 HB1 GLU 10 -8.959 8.530 -2.944 76 1HG GLU 10 HG2 GLU 10 -7.949 9.672 -4.870 77 2HG GLU 10 HG1 GLU 10 -8.508 8.387 -5.999 78 H ASN 11 HN ASN 11 -8.601 4.669 -3.120 79 HA ASN 11 HA ASN 11 -7.469 4.523 -0.585 80 1HB ASN 11 HB2 ASN 11 -9.735 5.830 -0.194 81 2HB ASN 11 HB1 ASN 11 -10.567 4.445 -1.007 82 1HD2 ASN 11 HD21 ASN 11 -11.578 4.715 1.358 83 2HD2 ASN 11 HD22 ASN 11 -10.740 3.962 2.687 84 H CYS 12 HN CYS 12 -7.535 2.255 -0.397 85 HA CYS 12 HA CYS 12 -8.995 0.421 -1.741 86 1HB CYS 12 HB2 CYS 12 -7.163 1.558 -3.684 87 2HB CYS 12 HB1 CYS 12 -6.420 0.114 -3.233 88 H VAL 13 HN VAL 13 -6.778 -1.560 -2.162 89 HA VAL 13 HA VAL 13 -5.080 -1.279 0.080 90 HB VAL 13 HB VAL 13 -5.158 -3.821 0.334 91 1HG1 VAL 13 HG11 VAL 13 -7.482 -2.081 1.385 92 2HG1 VAL 13 HG12 VAL 13 -5.899 -2.410 2.165 93 3HG1 VAL 13 HG13 VAL 13 -7.068 -3.739 1.992 94 1HG2 VAL 13 HG21 VAL 13 -7.913 -3.467 -1.032 95 2HG2 VAL 13 HG22 VAL 13 -7.311 -4.950 -0.207 96 3HG2 VAL 13 HG23 VAL 13 -6.480 -4.371 -1.678 97 H TYR 14 HN TYR 14 -3.029 -2.414 -0.719 98 HA TYR 14 HA TYR 14 -3.173 -2.980 -3.551 99 1HB TYR 14 HB2 TYR 14 -1.000 -1.948 -1.992 100 2HB TYR 14 HB1 TYR 14 -0.477 -3.557 -2.488 101 HD1 TYR 14 HD1 TYR 14 -2.050 -3.648 -5.250 102 HD2 TYR 14 HD2 TYR 14 0.539 -0.751 -3.385 103 HE1 TYR 14 HE1 TYR 14 -1.680 -2.605 -7.412 104 HE2 TYR 14 HE2 TYR 14 0.983 0.251 -5.586 105 HH TYR 14 HH TYR 14 -0.922 -0.701 -8.477 106 H HIS 15 HN HIS 15 -0.992 -5.250 -3.042 107 HA HIS 15 HA HIS 15 -2.640 -7.081 -1.609 108 1HB HIS 15 HB2 HIS 15 -1.932 -7.522 -4.590 109 2HB HIS 15 HB1 HIS 15 -2.255 -8.860 -3.429 110 HD1 HIS 15 HD1 HIS 15 -4.072 -5.946 -5.072 111 HD2 HIS 15 HD2 HIS 15 -4.928 -9.312 -2.714 112 HE1 HIS 15 HE1 HIS 15 -6.598 -6.164 -4.942 113 HE2 HIS 15 HE2 HIS 15 -7.064 -8.186 -3.504 114 H CYS 16 HN CYS 16 -1.008 -8.895 -1.152 115 HA CYS 16 HA CYS 16 1.257 -7.234 -0.469 116 1HB CYS 16 HB2 CYS 16 -0.376 -8.580 1.143 117 2HB CYS 16 HB1 CYS 16 0.710 -9.951 0.791 118 H PHE 17 HN PHE 17 3.313 -8.658 0.056 119 HA PHE 17 HA PHE 17 3.801 -10.378 -2.227 120 1HB PHE 17 HB2 PHE 17 5.959 -9.314 -2.484 121 2HB PHE 17 HB1 PHE 17 4.636 -8.158 -2.804 122 HD1 PHE 17 HD1 PHE 17 7.728 -8.188 -1.876 123 HD2 PHE 17 HD2 PHE 17 4.022 -6.828 -0.204 124 HE1 PHE 17 HE1 PHE 17 8.962 -6.534 -0.514 125 HE2 PHE 17 HE2 PHE 17 5.242 -5.190 1.141 126 HZ PHE 17 HZ PHE 17 7.713 -5.015 0.993 127 HA PRO 18 HA PRO 18 5.414 -12.493 1.434 128 1HB PRO 18 HB2 PRO 18 4.311 -15.031 0.842 129 2HB PRO 18 HB1 PRO 18 3.497 -13.801 1.877 130 1HG PRO 18 HG1 PRO 18 3.057 -14.300 -1.121 131 2HG PRO 18 HG2 PRO 18 1.811 -14.125 0.185 132 1HD PRO 18 HD1 PRO 18 2.455 -11.973 -1.393 133 2HD PRO 18 HD2 PRO 18 2.263 -11.745 0.387 134 H GLY 19 HN GLY 19 5.595 -12.384 -1.993 135 1HA GLY 19 HA2 GLY 19 8.116 -13.715 -1.929 136 2HA GLY 19 HA1 GLY 19 6.854 -14.209 -3.175 137 H SER 20 HN SER 20 9.407 -12.305 -3.316 138 HA SER 20 HA SER 20 8.668 -9.877 -2.659 139 1HB SER 20 HB2 SER 20 10.903 -10.615 -4.630 140 2HB SER 20 HB1 SER 20 10.901 -9.273 -3.422 141 HG SER 20 HG SER 20 11.341 -10.686 -1.914 142 H SER 21 HN SER 21 9.037 -11.018 -6.098 143 HA SER 21 HA SER 21 9.377 -8.656 -7.164 144 1HB SER 21 HB2 SER 21 8.111 -11.004 -8.672 145 2HB SER 21 HB1 SER 21 9.416 -9.882 -9.220 146 HG SER 21 HG SER 21 10.217 -11.919 -8.587 147 H GLY 22 HN GLY 22 6.428 -9.099 -5.915 148 1HA GLY 22 HA2 GLY 22 4.958 -7.810 -8.124 149 2HA GLY 22 HA1 GLY 22 4.284 -8.476 -6.589 150 H CYS 23 HN CYS 23 4.455 -7.318 -4.688 151 HA CYS 23 HA CYS 23 4.148 -4.603 -5.148 152 1HB CYS 23 HB2 CYS 23 2.749 -5.882 -3.484 153 2HB CYS 23 HB1 CYS 23 4.183 -5.973 -2.427 154 H ASP 24 HN ASP 24 7.093 -6.348 -4.248 155 HA ASP 24 HA ASP 24 8.217 -4.298 -2.709 156 1HB ASP 24 HB2 ASP 24 9.139 -6.706 -3.096 157 2HB ASP 24 HB1 ASP 24 9.790 -6.115 -4.655 158 H THR 25 HN THR 25 8.426 -5.019 -6.252 159 HA THR 25 HA THR 25 9.707 -2.784 -7.094 160 HB THR 25 HB THR 25 7.803 -3.704 -9.063 161 HG1 THR 25 HG1 THR 25 7.294 -5.500 -7.866 162 1HG2 THR 25 HG21 THR 25 10.216 -3.077 -9.429 163 2HG2 THR 25 HG22 THR 25 9.886 -4.745 -10.028 164 3HG2 THR 25 HG23 THR 25 10.742 -4.508 -8.459 165 H LEU 26 HN LEU 26 6.155 -3.382 -6.644 166 HA LEU 26 HA LEU 26 5.346 -0.969 -7.814 167 1HB LEU 26 HB2 LEU 26 3.924 -2.563 -5.602 168 2HB LEU 26 HB1 LEU 26 3.186 -1.288 -6.605 169 HG LEU 26 HG LEU 26 4.306 -3.935 -7.704 170 1HD1 LEU 26 HD11 LEU 26 1.366 -3.112 -7.318 171 2HD1 LEU 26 HD12 LEU 26 2.259 -4.248 -6.242 172 3HD1 LEU 26 HD13 LEU 26 1.987 -4.668 -7.972 173 1HD2 LEU 26 HD21 LEU 26 2.714 -1.680 -9.078 174 2HD2 LEU 26 HD22 LEU 26 3.030 -3.303 -9.794 175 3HD2 LEU 26 HD23 LEU 26 4.402 -2.196 -9.441 176 H CYS 27 HN CYS 27 5.999 -1.869 -4.399 177 HA CYS 27 HA CYS 27 5.341 0.546 -3.213 178 1HB CYS 27 HB2 CYS 27 5.894 -1.675 -2.033 179 2HB CYS 27 HB1 CYS 27 7.623 -1.352 -2.335 180 H LYS 28 HN LYS 28 8.392 -0.605 -4.703 181 HA LYS 28 HA LYS 28 9.953 1.561 -3.977 182 1HB LYS 28 HB2 LYS 28 10.642 -0.767 -5.004 183 2HB LYS 28 HB1 LYS 28 10.309 -0.020 -6.587 184 1HG LYS 28 HG2 LYS 28 12.512 0.485 -6.514 185 2HG LYS 28 HG1 LYS 28 12.007 1.888 -5.519 186 1HD LYS 28 HD2 LYS 28 13.031 -0.852 -4.470 187 2HD LYS 28 HD1 LYS 28 13.993 0.649 -4.652 188 1HE LYS 28 HE2 LYS 28 13.515 0.596 -2.340 189 2HE LYS 28 HE1 LYS 28 12.314 1.777 -2.993 190 1HZ LYS 28 HZ1 LYS 28 11.259 0.326 -1.487 191 2HZ LYS 28 HZ2 LYS 28 11.868 -1.074 -2.246 192 3HZ LYS 28 HZ3 LYS 28 10.721 -0.099 -3.035 193 H GLU 29 HN GLU 29 8.183 0.975 -7.102 194 HA GLU 29 HA GLU 29 9.071 3.412 -8.194 195 1HB GLU 29 HB2 GLU 29 7.361 3.117 -9.974 196 2HB GLU 29 HB1 GLU 29 8.377 1.665 -9.708 197 1HG GLU 29 HG2 GLU 29 6.534 0.655 -8.339 198 2HG GLU 29 HG1 GLU 29 5.478 2.067 -8.684 199 H LYS 30 HN LYS 30 6.327 2.711 -6.072 200 HA LYS 30 HA LYS 30 5.036 5.227 -6.589 201 1HB LYS 30 HB2 LYS 30 4.717 3.121 -4.383 202 2HB LYS 30 HB1 LYS 30 3.727 4.615 -4.439 203 1HG LYS 30 HG2 LYS 30 3.808 2.554 -6.732 204 2HG LYS 30 HG1 LYS 30 2.640 2.518 -5.366 205 1HD LYS 30 HD2 LYS 30 1.838 4.835 -6.031 206 2HD LYS 30 HD1 LYS 30 2.960 4.789 -7.431 207 1HE LYS 30 HE2 LYS 30 0.690 4.194 -8.188 208 2HE LYS 30 HE1 LYS 30 1.756 2.735 -8.312 209 1HZ LYS 30 HZ1 LYS 30 -0.381 2.222 -7.384 210 2HZ LYS 30 HZ2 LYS 30 -0.161 3.333 -6.115 211 3HZ LYS 30 HZ3 LYS 30 0.836 1.963 -6.233 212 H GLY 31 HN GLY 31 7.846 4.279 -4.835 213 1HA GLY 31 HA2 GLY 31 9.265 5.831 -4.096 214 2HA GLY 31 HA1 GLY 31 7.922 6.972 -3.725 215 H GLY 32 HN GLY 32 7.673 3.574 -2.686 216 1HA GLY 32 HA2 GLY 32 8.143 4.413 0.081 217 2HA GLY 32 HA1 GLY 32 7.437 2.875 -0.568 218 H THR 33 HN THR 33 10.259 4.169 0.846 219 HA THR 33 HA THR 33 12.152 2.958 -0.891 220 HB THR 33 HB THR 33 13.667 3.713 1.111 221 HG1 THR 33 HG1 THR 33 12.007 3.708 2.703 222 1HG2 THR 33 HG21 THR 33 13.286 5.087 -0.963 223 2HG2 THR 33 HG22 THR 33 13.349 6.133 0.502 224 3HG2 THR 33 HG23 THR 33 11.766 5.757 -0.265 225 H SER 34 HN SER 34 10.007 1.725 1.455 226 HA SER 34 HA SER 34 11.618 -0.485 2.240 227 1HB SER 34 HB2 SER 34 10.888 0.562 4.757 228 2HB SER 34 HB1 SER 34 12.529 0.750 4.052 229 HG SER 34 HG SER 34 10.404 2.664 3.740 230 H GLY 35 HN GLY 35 9.896 -2.040 3.153 231 1HA GLY 35 HA2 GLY 35 7.337 -1.226 3.608 232 2HA GLY 35 HA1 GLY 35 7.558 -1.852 1.889 233 H HIS 36 HN HIS 36 6.207 -3.754 3.470 234 HA HIS 36 HA HIS 36 8.017 -5.811 3.579 235 1HB HIS 36 HB2 HIS 36 7.518 -6.439 6.038 236 2HB HIS 36 HB1 HIS 36 8.751 -5.161 5.840 237 HD1 HIS 36 HD1 HIS 36 8.099 -2.749 6.578 238 HD2 HIS 36 HD2 HIS 36 5.148 -5.623 7.393 239 HE1 HIS 36 HE1 HIS 36 6.480 -1.719 8.235 240 HE2 HIS 36 HE2 HIS 36 4.722 -3.482 8.701 241 H CYS 37 HN CYS 37 6.398 -7.697 4.392 242 HA CYS 37 HA CYS 37 3.759 -6.882 3.398 243 1HB CYS 37 HB2 CYS 37 4.855 -8.602 2.019 244 2HB CYS 37 HB1 CYS 37 5.130 -9.631 3.459 245 H GLY 38 HN GLY 38 1.910 -8.217 4.670 246 1HA GLY 38 HA2 GLY 38 2.269 -8.967 7.244 247 2HA GLY 38 HA1 GLY 38 1.882 -7.170 7.142 248 H PHE 39 HN PHE 39 -0.500 -8.127 7.915 249 HA PHE 39 HA PHE 39 -1.937 -8.676 5.459 250 1HB PHE 39 HB2 PHE 39 -1.599 -10.916 6.818 251 2HB PHE 39 HB1 PHE 39 -2.474 -10.118 8.173 252 HD1 PHE 39 HD1 PHE 39 -4.850 -10.370 8.209 253 HD2 PHE 39 HD2 PHE 39 -2.763 -10.893 4.494 254 HE1 PHE 39 HE1 PHE 39 -6.956 -11.058 7.117 255 HE2 PHE 39 HE2 PHE 39 -4.886 -11.521 3.390 256 HZ PHE 39 HZ PHE 39 -6.984 -11.613 4.703 257 H LYS 40 HN LYS 40 -4.202 -7.758 5.832 258 HA LYS 40 HA LYS 40 -4.760 -6.440 8.230 259 1HB LYS 40 HB2 LYS 40 -3.567 -4.546 6.885 260 2HB LYS 40 HB1 LYS 40 -4.645 -4.928 5.506 261 1HG LYS 40 HG2 LYS 40 -6.634 -4.282 6.982 262 2HG LYS 40 HG1 LYS 40 -5.462 -3.802 8.264 263 1HD LYS 40 HD2 LYS 40 -4.461 -2.125 6.695 264 2HD LYS 40 HD1 LYS 40 -5.624 -2.610 5.415 265 1HE LYS 40 HE2 LYS 40 -6.399 -1.390 8.161 266 2HE LYS 40 HE1 LYS 40 -6.295 -0.485 6.600 267 1HZ LYS 40 HZ1 LYS 40 -7.990 -1.967 5.714 268 2HZ LYS 40 HZ2 LYS 40 -8.522 -1.087 7.068 269 3HZ LYS 40 HZ3 LYS 40 -8.130 -2.736 7.220 270 H VAL 41 HN VAL 41 -7.207 -6.457 7.978 271 HA VAL 41 HA VAL 41 -8.028 -8.227 5.798 272 HB VAL 41 HB VAL 41 -9.890 -7.607 8.105 273 1HG1 VAL 41 HG11 VAL 41 -10.456 -10.023 7.708 274 2HG1 VAL 41 HG12 VAL 41 -9.086 -10.178 6.551 275 3HG1 VAL 41 HG13 VAL 41 -10.492 -9.143 6.137 276 1HG2 VAL 41 HG21 VAL 41 -7.854 -7.900 9.412 277 2HG2 VAL 41 HG22 VAL 41 -7.364 -9.332 8.432 278 3HG2 VAL 41 HG23 VAL 41 -8.813 -9.409 9.495 279 H GLY 42 HN GLY 42 -10.852 -7.181 6.296 280 1HA GLY 42 HA2 GLY 42 -12.065 -5.274 6.165 281 2HA GLY 42 HA1 GLY 42 -10.594 -4.329 5.720 282 H HIS 43 HN HIS 43 -9.595 -5.028 3.564 283 HA HIS 43 HA HIS 43 -11.825 -5.265 1.628 284 1HB HIS 43 HB2 HIS 43 -8.942 -4.357 1.242 285 2HB HIS 43 HB1 HIS 43 -10.129 -4.551 -0.095 286 HD1 HIS 43 HD1 HIS 43 -9.065 -1.889 -0.010 287 HD2 HIS 43 HD2 HIS 43 -12.282 -2.898 2.491 288 HE1 HIS 43 HE1 HIS 43 -10.236 0.265 0.604 289 HE2 HIS 43 HE2 HIS 43 -12.191 -0.393 2.089 290 H GLY 44 HN GLY 44 -8.580 -6.749 2.514 291 1HA GLY 44 HA2 GLY 44 -9.444 -9.240 1.785 292 2HA GLY 44 HA1 GLY 44 -8.673 -8.500 0.325 293 H LEU 45 HN LEU 45 -6.501 -7.299 0.854 294 HA LEU 45 HA LEU 45 -4.835 -8.531 2.755 295 1HB LEU 45 HB2 LEU 45 -4.951 -10.394 1.103 296 2HB LEU 45 HB1 LEU 45 -4.892 -9.229 -0.266 297 HG LEU 45 HG LEU 45 -2.479 -8.710 0.426 298 1HD1 LEU 45 HD11 LEU 45 -2.440 -9.584 2.733 299 2HD1 LEU 45 HD12 LEU 45 -1.288 -10.548 1.742 300 3HD1 LEU 45 HD13 LEU 45 -2.882 -11.242 2.150 301 1HD2 LEU 45 HD21 LEU 45 -3.151 -11.591 -0.468 302 2HD2 LEU 45 HD22 LEU 45 -1.565 -10.777 -0.686 303 3HD2 LEU 45 HD23 LEU 45 -3.030 -10.144 -1.531 304 H ALA 46 HN ALA 46 -2.593 -7.040 2.114 305 HA ALA 46 HA ALA 46 -3.191 -4.786 0.566 306 1HB ALA 46 HB1 ALA 46 -3.057 -3.166 2.515 307 2HB ALA 46 HB2 ALA 46 -3.102 -4.569 3.665 308 3HB ALA 46 HB3 ALA 46 -4.537 -4.183 2.660 309 H CYS 47 HN CYS 47 -0.936 -3.275 1.305 310 HA CYS 47 HA CYS 47 1.123 -5.332 1.853 311 1HB CYS 47 HB2 CYS 47 1.037 -5.167 -0.585 312 2HB CYS 47 HB1 CYS 47 0.819 -3.402 -0.512 313 H TRP 48 HN TRP 48 3.242 -3.805 2.652 314 HA TRP 48 HA TRP 48 2.071 -1.351 3.797 315 1HB TRP 48 HB2 TRP 48 2.599 -3.016 5.620 316 2HB TRP 48 HB1 TRP 48 4.270 -3.133 4.995 317 HD1 TRP 48 HD1 TRP 48 5.866 -0.846 5.370 318 HE1 TRP 48 HE1 TRP 48 5.814 0.903 7.306 319 HE3 TRP 48 HE3 TRP 48 1.229 -1.880 7.219 320 HZ2 TRP 48 HZ2 TRP 48 4.009 1.730 9.291 321 HZ3 TRP 48 HZ3 TRP 48 0.393 -0.582 9.157 322 HH2 TRP 48 HH2 TRP 48 1.751 1.205 10.164 323 H CYS 49 HN CYS 49 3.469 0.532 3.604 324 HA CYS 49 HA CYS 49 5.990 0.085 2.243 325 1HB CYS 49 HB2 CYS 49 3.864 2.101 1.324 326 2HB CYS 49 HB1 CYS 49 5.624 2.335 1.047 327 H ASN 50 HN ASN 50 7.483 1.649 3.130 328 HA ASN 50 HA ASN 50 6.373 3.127 5.426 329 1HB ASN 50 HB2 ASN 50 7.762 0.811 5.774 330 2HB ASN 50 HB1 ASN 50 9.181 1.844 5.436 331 1HD2 ASN 50 HD22 ASN 50 9.798 3.402 7.127 332 2HD2 ASN 50 HD21 ASN 50 9.000 3.443 8.664 333 H ALA 51 HN ALA 51 6.849 5.243 5.087 334 HA ALA 51 HA ALA 51 7.844 7.079 4.617 335 1HB ALA 51 HB1 ALA 51 10.150 6.237 4.991 336 2HB ALA 51 HB2 ALA 51 10.067 7.388 3.603 337 3HB ALA 51 HB3 ALA 51 10.180 5.623 3.295 338 H LEU 52 HN LEU 52 5.789 6.850 3.434 339 HA LEU 52 HA LEU 52 6.207 6.812 0.542 340 1HB LEU 52 HB2 LEU 52 4.070 5.768 2.154 341 2HB LEU 52 HB1 LEU 52 3.420 7.198 1.437 342 HG LEU 52 HG LEU 52 3.662 6.569 -0.784 343 1HD1 LEU 52 HD11 LEU 52 5.767 5.578 -1.096 344 2HD1 LEU 52 HD12 LEU 52 4.566 4.350 -1.590 345 3HD1 LEU 52 HD13 LEU 52 5.402 4.198 0.007 346 1HD2 LEU 52 HD21 LEU 52 2.258 4.520 -0.927 347 2HD2 LEU 52 HD22 LEU 52 1.733 5.571 0.435 348 3HD2 LEU 52 HD23 LEU 52 2.700 4.083 0.769 349 HA PRO 53 HA PRO 53 5.960 11.251 1.054 350 1HB PRO 53 HB2 PRO 53 5.193 11.099 -1.921 351 2HB PRO 53 HB1 PRO 53 6.334 12.268 -1.143 352 1HG PRO 53 HG1 PRO 53 7.302 10.129 -2.518 353 2HG PRO 53 HG2 PRO 53 8.000 10.486 -0.879 354 1HD PRO 53 HD1 PRO 53 5.847 8.410 -1.601 355 2HD PRO 53 HD2 PRO 53 7.302 8.234 -0.539 356 H ASP 54 HN ASP 54 4.408 13.101 0.784 357 HA ASP 54 HA ASP 54 1.888 12.292 1.605 358 1HB ASP 54 HB2 ASP 54 2.954 15.026 0.708 359 2HB ASP 54 HB1 ASP 54 1.331 14.771 1.455 360 H ASN 55 HN ASN 55 3.083 12.650 -1.622 361 HA ASN 55 HA ASN 55 0.479 13.304 -2.728 362 1HB ASN 55 HB2 ASN 55 1.653 13.237 -4.953 363 2HB ASN 55 HB1 ASN 55 2.390 14.391 -3.804 364 1HD2 ASN 55 HD22 ASN 55 2.999 11.474 -5.710 365 2HD2 ASN 55 HD21 ASN 55 4.649 11.258 -5.205 366 H VAL 56 HN VAL 56 1.570 10.531 -1.393 367 HA VAL 56 HA VAL 56 0.415 8.868 -3.529 368 HB VAL 56 HB VAL 56 2.037 7.673 -1.262 369 1HG1 VAL 56 HG11 VAL 56 0.787 6.176 -2.890 370 2HG1 VAL 56 HG12 VAL 56 2.565 6.011 -3.063 371 3HG1 VAL 56 HG13 VAL 56 1.636 6.977 -4.265 372 1HG2 VAL 56 HG21 VAL 56 3.215 9.098 -3.748 373 2HG2 VAL 56 HG22 VAL 56 4.100 7.893 -2.744 374 3HG2 VAL 56 HG23 VAL 56 3.573 9.436 -2.019 375 H GLY 57 HN GLY 57 -0.590 6.725 -1.713 376 1HA GLY 57 HA2 GLY 57 -2.078 8.089 0.254 377 2HA GLY 57 HA1 GLY 57 -2.978 7.648 -1.282 378 H ILE 58 HN ILE 58 -3.840 6.059 0.895 379 HA ILE 58 HA ILE 58 -2.462 3.622 0.755 380 HB ILE 58 HB ILE 58 -2.062 3.647 3.307 381 1HG1 ILE 58 HG12 ILE 58 -2.110 6.700 2.974 382 2HG1 ILE 58 HG11 ILE 58 -3.417 5.735 3.750 383 1HG2 ILE 58 HG21 ILE 58 -0.213 3.830 1.491 384 2HG2 ILE 58 HG22 ILE 58 0.209 4.386 3.140 385 3HG2 ILE 58 HG23 ILE 58 -0.172 5.584 1.855 386 1HD1 ILE 58 HD11 ILE 58 -1.874 6.634 5.468 387 2HD1 ILE 58 HD12 ILE 58 -0.476 5.813 4.679 388 3HD1 ILE 58 HD13 ILE 58 -1.802 4.829 5.407 389 H ILE 59 HN ILE 59 -3.676 2.602 3.134 390 HA ILE 59 HA ILE 59 -6.342 2.549 2.197 391 HB ILE 59 HB ILE 59 -5.841 1.690 5.058 392 1HG1 ILE 59 HG12 ILE 59 -3.791 0.879 4.213 393 2HG1 ILE 59 HG11 ILE 59 -4.947 -0.448 4.515 394 1HG2 ILE 59 HG21 ILE 59 -7.382 -0.121 4.365 395 2HG2 ILE 59 HG22 ILE 59 -7.361 0.464 2.660 396 3HG2 ILE 59 HG23 ILE 59 -8.069 1.487 3.956 397 1HD1 ILE 59 HD11 ILE 59 -3.900 0.568 1.839 398 2HD1 ILE 59 HD12 ILE 59 -5.440 -0.360 1.937 399 3HD1 ILE 59 HD13 ILE 59 -3.889 -1.093 2.494 400 H VAL 60 HN VAL 60 -8.047 3.818 2.844 401 HA VAL 60 HA VAL 60 -7.560 5.620 5.155 402 HB VAL 60 HB VAL 60 -9.202 5.962 2.602 403 1HG1 VAL 60 HG11 VAL 60 -9.093 7.718 5.121 404 2HG1 VAL 60 HG12 VAL 60 -10.526 6.785 4.509 405 3HG1 VAL 60 HG13 VAL 60 -9.870 8.151 3.537 406 1HG2 VAL 60 HG21 VAL 60 -6.746 6.377 2.369 407 2HG2 VAL 60 HG22 VAL 60 -6.788 7.488 3.789 408 3HG2 VAL 60 HG23 VAL 60 -7.668 7.913 2.276 409 H GLU 61 HN GLU 61 -8.474 4.632 6.880 410 HA GLU 61 HA GLU 61 -9.672 3.367 8.133 411 1HB GLU 61 HB2 GLU 61 -11.575 4.854 7.247 412 2HB GLU 61 HB1 GLU 61 -11.917 3.626 6.058 413 1HG GLU 61 HG2 GLU 61 -13.518 3.481 7.913 414 2HG GLU 61 HG1 GLU 61 -12.518 1.991 7.933 415 H GLY 62 HN GLY 62 -11.761 1.721 6.155 416 1HA GLY 62 HA2 GLY 62 -10.097 0.187 4.513 417 2HA GLY 62 HA1 GLY 62 -10.791 -0.750 5.935 418 H GLU 63 HN GLU 63 -11.828 2.150 4.100 419 HA GLU 63 HA GLU 63 -14.520 1.455 4.709 420 1HB GLU 63 HB2 GLU 63 -13.663 3.834 4.786 421 2HB GLU 63 HB1 GLU 63 -13.434 3.785 3.013 422 1HG GLU 63 HG2 GLU 63 -15.980 3.387 2.789 423 2HG GLU 63 HG1 GLU 63 -16.096 3.569 4.576 424 H LYS 64 HN LYS 64 -12.777 2.102 1.596 425 HA LYS 64 HA LYS 64 -14.407 0.259 0.198 426 1HB LYS 64 HB2 LYS 64 -15.869 2.492 0.536 427 2HB LYS 64 HB1 LYS 64 -14.741 3.217 -0.646 428 1HG LYS 64 HG2 LYS 64 -15.468 1.367 -2.297 429 2HG LYS 64 HG1 LYS 64 -16.596 0.774 -1.029 430 1HD LYS 64 HD2 LYS 64 -17.804 2.958 -1.076 431 2HD LYS 64 HD1 LYS 64 -16.605 3.610 -2.245 432 1HE LYS 64 HE2 LYS 64 -18.695 2.960 -3.423 433 2HE LYS 64 HE1 LYS 64 -17.315 1.920 -3.964 434 1HZ LYS 64 HZ1 LYS 64 -18.089 0.191 -2.537 435 2HZ LYS 64 HZ2 LYS 64 -19.361 0.701 -3.539 436 3HZ LYS 64 HZ3 LYS 64 -19.330 1.165 -1.908 437 H CYS 65 HN CYS 65 -13.700 1.123 -2.374 438 HA CYS 65 HA CYS 65 -10.962 2.024 -2.246 439 1HB CYS 65 HB2 CYS 65 -10.859 -0.461 -2.795 440 2HB CYS 65 HB1 CYS 65 -12.161 -0.238 -3.995 441 H HIS 66 HN HIS 66 -10.742 3.553 -4.164 442 HA HIS 66 HA HIS 66 -12.759 3.717 -6.040 443 1HB HIS 66 HB2 HIS 66 -13.371 6.218 -5.419 444 2HB HIS 66 HB1 HIS 66 -14.256 4.911 -4.571 445 HD1 HIS 66 HD1 HIS 66 -11.678 7.568 -3.874 446 HD2 HIS 66 HD2 HIS 66 -13.893 4.647 -1.831 447 HE1 HIS 66 HE1 HIS 66 -11.387 8.007 -1.404 448 HE2 HIS 66 HE2 HIS 66 -12.783 6.257 -0.200 449 H SER 67 HN SER 67 -11.912 5.715 -7.524 450 HA SER 67 HA SER 67 -9.344 6.589 -6.841 451 1HB SER 67 HB2 SER 67 -9.839 4.920 -9.423 452 2HB SER 67 HB1 SER 67 -8.308 5.767 -8.995 453 HG SER 67 HG SER 67 -7.984 4.269 -7.348 454 1HN NH2 68 H1 NH2 68 -9.089 8.301 -8.774 455 2HN NH2 68 H2 NH2 68 -10.582 8.906 -9.422 Start of MODEL 30 1 1H VAL 1 HT1 VAL 1 5.602 12.907 6.215 2 2H VAL 1 HT2 VAL 1 7.123 12.795 5.468 3 3H VAL 1 HT3 VAL 1 6.837 12.008 6.948 4 HA VAL 1 HA VAL 1 5.528 11.425 4.383 5 HB VAL 1 HB VAL 1 6.726 9.228 4.476 6 1HG1 VAL 1 HG11 VAL 1 8.925 10.069 3.764 7 2HG1 VAL 1 HG12 VAL 1 8.643 11.652 4.571 8 3HG1 VAL 1 HG13 VAL 1 7.636 11.164 3.154 9 1HG2 VAL 1 HG21 VAL 1 7.075 9.043 6.946 10 2HG2 VAL 1 HG22 VAL 1 8.224 10.435 6.901 11 3HG2 VAL 1 HG23 VAL 1 8.626 8.900 6.056 12 H ARG 2 HN ARG 2 4.384 9.217 4.473 13 HA ARG 2 HA ARG 2 3.159 8.735 7.130 14 1HB ARG 2 HB2 ARG 2 2.428 7.342 4.458 15 2HB ARG 2 HB1 ARG 2 1.626 7.150 6.052 16 1HG ARG 2 HG2 ARG 2 0.103 8.318 4.935 17 2HG ARG 2 HG1 ARG 2 0.917 9.666 5.795 18 1HD ARG 2 HD2 ARG 2 1.796 10.556 3.744 19 2HD ARG 2 HD1 ARG 2 1.885 8.924 2.974 20 HE ARG 2 HE ARG 2 -0.292 9.123 2.204 21 1HH1 ARG 2 HH21 ARG 2 0.157 11.659 4.718 22 2HH1 ARG 2 HH22 ARG 2 -1.339 12.439 4.343 23 1HH2 ARG 2 HH11 ARG 2 -2.214 10.233 1.702 24 2HH2 ARG 2 HH12 ARG 2 -2.686 11.648 2.585 25 H ASP 3 HN ASP 3 3.047 6.162 7.471 26 HA ASP 3 HA ASP 3 4.877 4.727 5.807 27 1HB ASP 3 HB2 ASP 3 4.446 4.133 8.838 28 2HB ASP 3 HB1 ASP 3 5.378 3.125 7.674 29 H GLY 4 HN GLY 4 3.379 2.686 5.363 30 1HA GLY 4 HA2 GLY 4 0.925 2.810 6.794 31 2HA GLY 4 HA1 GLY 4 0.830 3.507 5.115 32 H TYR 5 HN TYR 5 -0.709 1.445 5.425 33 HA TYR 5 HA TYR 5 0.691 -0.741 4.076 34 1HB TYR 5 HB2 TYR 5 -2.213 -0.308 5.036 35 2HB TYR 5 HB1 TYR 5 -1.818 -1.529 3.774 36 HD1 TYR 5 HD1 TYR 5 -1.502 -0.628 7.351 37 HD2 TYR 5 HD2 TYR 5 -0.379 -3.434 4.296 38 HE1 TYR 5 HE1 TYR 5 -0.948 -2.297 9.091 39 HE2 TYR 5 HE2 TYR 5 0.116 -5.102 6.017 40 HH TYR 5 HH TYR 5 -0.890 -5.559 8.359 41 H ILE 6 HN ILE 6 0.530 -0.677 1.786 42 HA ILE 6 HA ILE 6 -0.418 1.926 0.849 43 HB ILE 6 HB ILE 6 1.846 1.606 0.274 44 1HG1 ILE 6 HG12 ILE 6 0.172 1.163 -2.269 45 2HG1 ILE 6 HG11 ILE 6 0.229 2.710 -1.357 46 1HG2 ILE 6 HG21 ILE 6 0.906 -1.079 -0.890 47 2HG2 ILE 6 HG22 ILE 6 2.117 -0.777 0.416 48 3HG2 ILE 6 HG23 ILE 6 2.498 -0.327 -1.277 49 1HD1 ILE 6 HD11 ILE 6 1.799 2.859 -3.206 50 2HD1 ILE 6 HD12 ILE 6 2.606 1.317 -2.751 51 3HD1 ILE 6 HD13 ILE 6 2.762 2.764 -1.689 52 H ALA 7 HN ALA 7 -1.865 2.065 -0.636 53 HA ALA 7 HA ALA 7 -3.687 -0.142 -1.034 54 1HB ALA 7 HB1 ALA 7 -5.430 1.670 -1.433 55 2HB ALA 7 HB2 ALA 7 -4.159 2.919 -1.172 56 3HB ALA 7 HB3 ALA 7 -4.699 1.833 0.160 57 H GLN 8 HN GLN 8 -4.848 2.051 -3.027 58 HA GLN 8 HA GLN 8 -2.889 2.090 -5.091 59 1HB GLN 8 HB2 GLN 8 -5.924 1.434 -5.387 60 2HB GLN 8 HB1 GLN 8 -4.850 1.813 -6.766 61 1HG GLN 8 HG2 GLN 8 -3.713 -0.320 -6.602 62 2HG GLN 8 HG1 GLN 8 -4.325 -0.609 -4.934 63 1HE2 GLN 8 HE21 GLN 8 -5.984 -2.081 -4.836 64 2HE2 GLN 8 HE22 GLN 8 -7.148 -2.378 -6.104 65 HA PRO 9 HA PRO 9 -5.115 6.003 -4.171 66 1HB PRO 9 HB2 PRO 9 -4.712 6.616 -7.159 67 2HB PRO 9 HB1 PRO 9 -4.375 7.697 -5.746 68 1HG PRO 9 HG1 PRO 9 -2.318 6.452 -7.079 69 2HG PRO 9 HG2 PRO 9 -2.303 6.522 -5.265 70 1HD PRO 9 HD1 PRO 9 -3.215 4.177 -7.041 71 2HD PRO 9 HD2 PRO 9 -2.137 4.167 -5.564 72 H GLU 10 HN GLU 10 -8.409 5.243 -5.475 73 HA GLU 10 HA GLU 10 -6.873 7.442 -4.367 74 1HB GLU 10 HB2 GLU 10 -9.858 6.868 -4.264 75 2HB GLU 10 HB1 GLU 10 -9.041 8.355 -3.665 76 1HG GLU 10 HG2 GLU 10 -9.073 7.357 -6.596 77 2HG GLU 10 HG1 GLU 10 -10.063 8.697 -5.923 78 H ASN 11 HN ASN 11 -8.607 4.392 -3.353 79 HA ASN 11 HA ASN 11 -7.341 4.319 -0.905 80 1HB ASN 11 HB2 ASN 11 -9.463 5.780 -0.356 81 2HB ASN 11 HB1 ASN 11 -10.466 4.483 -1.106 82 1HD2 ASN 11 HD21 ASN 11 -11.333 4.837 1.278 83 2HD2 ASN 11 HD22 ASN 11 -10.517 4.050 2.594 84 H CYS 12 HN CYS 12 -7.593 2.006 -0.579 85 HA CYS 12 HA CYS 12 -9.272 0.178 -1.553 86 1HB CYS 12 HB2 CYS 12 -6.953 0.602 -3.556 87 2HB CYS 12 HB1 CYS 12 -7.716 -1.001 -3.385 88 H VAL 13 HN VAL 13 -7.138 -1.903 -1.983 89 HA VAL 13 HA VAL 13 -5.088 -1.254 -0.114 90 HB VAL 13 HB VAL 13 -4.856 -3.820 0.198 91 1HG1 VAL 13 HG11 VAL 13 -5.306 -2.421 2.113 92 2HG1 VAL 13 HG12 VAL 13 -6.422 -3.808 2.191 93 3HG1 VAL 13 HG13 VAL 13 -7.034 -2.190 1.647 94 1HG2 VAL 13 HG21 VAL 13 -6.894 -5.164 0.120 95 2HG2 VAL 13 HG22 VAL 13 -6.574 -4.486 -1.505 96 3HG2 VAL 13 HG23 VAL 13 -7.875 -3.767 -0.469 97 H TYR 14 HN TYR 14 -3.136 -2.550 -1.047 98 HA TYR 14 HA TYR 14 -3.355 -2.811 -3.937 99 1HB TYR 14 HB2 TYR 14 -1.177 -2.173 -2.093 100 2HB TYR 14 HB1 TYR 14 -0.712 -3.687 -2.860 101 HD1 TYR 14 HD1 TYR 14 -2.305 -2.591 -5.687 102 HD2 TYR 14 HD2 TYR 14 0.866 -1.338 -3.050 103 HE1 TYR 14 HE1 TYR 14 -1.394 -1.178 -7.451 104 HE2 TYR 14 HE2 TYR 14 1.797 0.054 -4.831 105 HH TYR 14 HH TYR 14 1.586 0.770 -6.984 106 H HIS 15 HN HIS 15 -1.391 -5.177 -3.871 107 HA HIS 15 HA HIS 15 -2.568 -6.944 -2.003 108 1HB HIS 15 HB2 HIS 15 -2.800 -7.537 -5.009 109 2HB HIS 15 HB1 HIS 15 -2.345 -8.862 -3.886 110 HD1 HIS 15 HD1 HIS 15 -5.242 -6.404 -4.242 111 HD2 HIS 15 HD2 HIS 15 -4.295 -10.052 -2.393 112 HE1 HIS 15 HE1 HIS 15 -7.370 -7.311 -3.219 113 HE2 HIS 15 HE2 HIS 15 -6.745 -9.501 -2.104 114 H CYS 16 HN CYS 16 -0.800 -9.024 -2.577 115 HA CYS 16 HA CYS 16 1.719 -7.850 -3.120 116 1HB CYS 16 HB2 CYS 16 1.326 -7.487 -0.563 117 2HB CYS 16 HB1 CYS 16 1.049 -9.245 -0.413 118 H PHE 17 HN PHE 17 3.132 -10.074 -2.987 119 HA PHE 17 HA PHE 17 1.423 -12.324 -3.646 120 1HB PHE 17 HB2 PHE 17 4.188 -11.566 -4.868 121 2HB PHE 17 HB1 PHE 17 3.131 -12.942 -5.329 122 HD1 PHE 17 HD1 PHE 17 0.865 -12.394 -6.430 123 HD2 PHE 17 HD2 PHE 17 3.859 -9.385 -5.737 124 HE1 PHE 17 HE1 PHE 17 -0.279 -10.888 -8.020 125 HE2 PHE 17 HE2 PHE 17 2.699 -7.870 -7.320 126 HZ PHE 17 HZ PHE 17 0.632 -8.620 -8.464 127 HA PRO 18 HA PRO 18 4.001 -13.029 0.055 128 1HB PRO 18 HB2 PRO 18 3.144 -15.861 -0.796 129 2HB PRO 18 HB1 PRO 18 3.438 -15.277 0.895 130 1HG PRO 18 HG1 PRO 18 0.891 -15.298 -0.122 131 2HG PRO 18 HG2 PRO 18 1.463 -13.842 0.799 132 1HD PRO 18 HD1 PRO 18 1.053 -14.111 -2.191 133 2HD PRO 18 HD2 PRO 18 1.016 -12.645 -1.130 134 H GLY 19 HN GLY 19 6.156 -12.789 -0.127 135 1HA GLY 19 HA2 GLY 19 8.205 -14.123 -0.931 136 2HA GLY 19 HA1 GLY 19 7.403 -13.765 -2.533 137 H SER 20 HN SER 20 6.050 -11.501 -1.943 138 HA SER 20 HA SER 20 5.984 -9.439 -1.449 139 1HB SER 20 HB2 SER 20 8.720 -9.528 -0.082 140 2HB SER 20 HB1 SER 20 7.648 -8.094 -0.183 141 HG SER 20 HG SER 20 7.284 -10.506 1.180 142 H SER 21 HN SER 21 8.227 -10.764 -3.628 143 HA SER 21 HA SER 21 9.845 -8.845 -4.342 144 1HB SER 21 HB2 SER 21 8.389 -10.517 -6.474 145 2HB SER 21 HB1 SER 21 10.136 -10.076 -6.382 146 HG SER 21 HG SER 21 9.814 -12.217 -5.751 147 H GLY 22 HN GLY 22 6.528 -9.225 -5.649 148 1HA GLY 22 HA2 GLY 22 6.742 -7.044 -7.434 149 2HA GLY 22 HA1 GLY 22 5.247 -7.894 -6.896 150 H CYS 23 HN CYS 23 5.576 -7.379 -4.071 151 HA CYS 23 HA CYS 23 4.234 -4.878 -3.974 152 1HB CYS 23 HB2 CYS 23 3.583 -6.449 -2.344 153 2HB CYS 23 HB1 CYS 23 5.280 -6.837 -1.910 154 H ASP 24 HN ASP 24 7.515 -6.000 -2.957 155 HA ASP 24 HA ASP 24 8.266 -3.535 -1.920 156 1HB ASP 24 HB2 ASP 24 9.453 -5.793 -1.612 157 2HB ASP 24 HB1 ASP 24 10.158 -5.573 -3.252 158 H THR 25 HN THR 25 8.504 -4.855 -5.237 159 HA THR 25 HA THR 25 9.860 -2.693 -6.378 160 HB THR 25 HB THR 25 7.777 -4.489 -7.702 161 HG1 THR 25 HG1 THR 25 9.274 -5.872 -6.780 162 1HG2 THR 25 HG21 THR 25 8.562 -2.554 -9.121 163 2HG2 THR 25 HG22 THR 25 9.230 -4.099 -9.749 164 3HG2 THR 25 HG23 THR 25 10.279 -2.996 -8.786 165 H LEU 26 HN LEU 26 6.281 -3.378 -6.098 166 HA LEU 26 HA LEU 26 5.452 -1.084 -7.456 167 1HB LEU 26 HB2 LEU 26 4.101 -2.773 -5.278 168 2HB LEU 26 HB1 LEU 26 3.256 -1.424 -6.094 169 HG LEU 26 HG LEU 26 4.487 -3.702 -7.718 170 1HD1 LEU 26 HD11 LEU 26 2.214 -4.769 -7.736 171 2HD1 LEU 26 HD12 LEU 26 1.671 -3.605 -6.464 172 3HD1 LEU 26 HD13 LEU 26 2.984 -4.787 -6.104 173 1HD2 LEU 26 HD21 LEU 26 2.206 -1.713 -8.309 174 2HD2 LEU 26 HD22 LEU 26 2.837 -2.982 -9.422 175 3HD2 LEU 26 HD23 LEU 26 3.889 -1.610 -8.944 176 H CYS 27 HN CYS 27 6.133 -1.709 -4.046 177 HA CYS 27 HA CYS 27 5.299 0.700 -2.977 178 1HB CYS 27 HB2 CYS 27 6.014 -1.354 -1.678 179 2HB CYS 27 HB1 CYS 27 7.716 -1.002 -2.102 180 H LYS 28 HN LYS 28 8.443 -0.146 -4.567 181 HA LYS 28 HA LYS 28 9.654 2.293 -3.781 182 1HB LYS 28 HB2 LYS 28 10.419 0.245 -5.906 183 2HB LYS 28 HB1 LYS 28 11.357 1.760 -5.635 184 1HG LYS 28 HG2 LYS 28 11.719 1.193 -3.266 185 2HG LYS 28 HG1 LYS 28 10.832 -0.354 -3.463 186 1HD LYS 28 HD2 LYS 28 12.549 -1.239 -4.967 187 2HD LYS 28 HD1 LYS 28 13.310 0.379 -5.139 188 1HE LYS 28 HE2 LYS 28 14.664 -1.081 -3.623 189 2HE LYS 28 HE1 LYS 28 14.020 0.372 -2.757 190 1HZ LYS 28 HZ1 LYS 28 13.777 -1.579 -1.441 191 2HZ LYS 28 HZ2 LYS 28 12.908 -2.386 -2.660 192 3HZ LYS 28 HZ3 LYS 28 12.248 -1.016 -1.903 193 H GLU 29 HN GLU 29 7.919 1.333 -6.784 194 HA GLU 29 HA GLU 29 8.589 3.767 -8.085 195 1HB GLU 29 HB2 GLU 29 6.811 3.167 -9.756 196 2HB GLU 29 HB1 GLU 29 8.042 1.890 -9.478 197 1HG GLU 29 HG2 GLU 29 6.468 0.687 -7.966 198 2HG GLU 29 HG1 GLU 29 5.209 1.946 -8.226 199 H LYS 30 HN LYS 30 6.357 3.143 -5.556 200 HA LYS 30 HA LYS 30 4.801 5.554 -6.200 201 1HB LYS 30 HB2 LYS 30 4.457 3.318 -4.131 202 2HB LYS 30 HB1 LYS 30 3.461 4.812 -4.117 203 1HG LYS 30 HG2 LYS 30 3.670 3.031 -6.611 204 2HG LYS 30 HG1 LYS 30 2.473 2.711 -5.317 205 1HD LYS 30 HD2 LYS 30 1.392 4.858 -5.605 206 2HD LYS 30 HD1 LYS 30 2.658 5.451 -6.728 207 1HE LYS 30 HE2 LYS 30 0.741 3.100 -7.329 208 2HE LYS 30 HE1 LYS 30 0.549 4.796 -7.921 209 1HZ LYS 30 HZ1 LYS 30 2.626 4.606 -9.076 210 2HZ LYS 30 HZ2 LYS 30 1.577 3.353 -9.539 211 3HZ LYS 30 HZ3 LYS 30 2.878 3.030 -8.496 212 H GLY 31 HN GLY 31 7.720 4.773 -4.803 213 1HA GLY 31 HA2 GLY 31 9.096 6.239 -3.920 214 2HA GLY 31 HA1 GLY 31 7.729 7.355 -3.549 215 H GLY 32 HN GLY 32 7.656 3.925 -2.517 216 1HA GLY 32 HA2 GLY 32 8.135 4.792 0.244 217 2HA GLY 32 HA1 GLY 32 7.461 3.231 -0.362 218 H THR 33 HN THR 33 9.815 3.580 1.507 219 HA THR 33 HA THR 33 12.098 3.536 -0.217 220 HB THR 33 HB THR 33 13.332 3.273 2.000 221 HG1 THR 33 HG1 THR 33 11.910 2.477 3.399 222 1HG2 THR 33 HG21 THR 33 12.855 5.460 0.829 223 2HG2 THR 33 HG22 THR 33 12.776 5.642 2.618 224 3HG2 THR 33 HG23 THR 33 11.261 5.566 1.644 225 H SER 34 HN SER 34 10.224 1.060 1.645 226 HA SER 34 HA SER 34 10.927 -0.804 -0.199 227 1HB SER 34 HB2 SER 34 12.134 -1.253 2.627 228 2HB SER 34 HB1 SER 34 11.840 -2.579 1.437 229 HG SER 34 HG SER 34 13.257 -0.323 0.575 230 H GLY 35 HN GLY 35 9.555 -2.945 0.852 231 1HA GLY 35 HA2 GLY 35 7.559 -2.210 2.629 232 2HA GLY 35 HA1 GLY 35 7.088 -2.096 0.855 233 H HIS 36 HN HIS 36 5.940 -4.325 2.250 234 HA HIS 36 HA HIS 36 7.186 -6.530 1.092 235 1HB HIS 36 HB2 HIS 36 7.581 -7.822 3.214 236 2HB HIS 36 HB1 HIS 36 8.720 -6.447 3.097 237 HD1 HIS 36 HD1 HIS 36 7.940 -4.244 4.546 238 HD2 HIS 36 HD2 HIS 36 6.044 -7.850 5.558 239 HE1 HIS 36 HE1 HIS 36 6.882 -3.929 6.829 240 HE2 HIS 36 HE2 HIS 36 5.749 -6.124 7.395 241 H CYS 37 HN CYS 37 5.588 -8.466 2.002 242 HA CYS 37 HA CYS 37 3.003 -7.345 1.642 243 1HB CYS 37 HB2 CYS 37 3.518 -10.135 2.848 244 2HB CYS 37 HB1 CYS 37 2.014 -9.536 2.064 245 H GLY 38 HN GLY 38 1.042 -7.462 3.158 246 1HA GLY 38 HA2 GLY 38 1.429 -8.503 5.660 247 2HA GLY 38 HA1 GLY 38 1.464 -6.672 5.690 248 H PHE 39 HN PHE 39 -0.858 -7.407 6.804 249 HA PHE 39 HA PHE 39 -2.893 -7.222 4.832 250 1HB PHE 39 HB2 PHE 39 -2.585 -9.771 5.223 251 2HB PHE 39 HB1 PHE 39 -2.573 -9.461 6.994 252 HD1 PHE 39 HD1 PHE 39 -4.250 -11.148 7.284 253 HD2 PHE 39 HD2 PHE 39 -5.100 -7.729 4.798 254 HE1 PHE 39 HE1 PHE 39 -6.644 -11.721 7.290 255 HE2 PHE 39 HE2 PHE 39 -7.486 -8.264 4.895 256 HZ PHE 39 HZ PHE 39 -8.275 -10.302 6.066 257 H LYS 40 HN LYS 40 -4.695 -6.159 6.259 258 HA LYS 40 HA LYS 40 -3.745 -5.462 8.928 259 1HB LYS 40 HB2 LYS 40 -4.394 -3.078 8.564 260 2HB LYS 40 HB1 LYS 40 -3.038 -3.606 7.540 261 1HG LYS 40 HG2 LYS 40 -4.162 -2.312 6.054 262 2HG LYS 40 HG1 LYS 40 -4.727 -3.949 5.607 263 1HD LYS 40 HD2 LYS 40 -6.586 -2.377 5.501 264 2HD LYS 40 HD1 LYS 40 -6.881 -3.515 6.841 265 1HE LYS 40 HE2 LYS 40 -7.560 -1.223 7.464 266 2HE LYS 40 HE1 LYS 40 -6.197 -1.764 8.517 267 1HZ LYS 40 HZ1 LYS 40 -5.980 -0.020 6.120 268 2HZ LYS 40 HZ2 LYS 40 -4.700 -0.508 7.126 269 3HZ LYS 40 HZ3 LYS 40 -5.932 0.482 7.742 270 H VAL 41 HN VAL 41 -5.712 -7.346 7.609 271 HA VAL 41 HA VAL 41 -7.784 -7.949 7.564 272 HB VAL 41 HB VAL 41 -8.440 -6.206 9.898 273 1HG1 VAL 41 HG11 VAL 41 -9.919 -8.200 10.458 274 2HG1 VAL 41 HG12 VAL 41 -9.322 -9.067 9.005 275 3HG1 VAL 41 HG13 VAL 41 -10.356 -7.610 8.823 276 1HG2 VAL 41 HG21 VAL 41 -6.855 -8.854 9.828 277 2HG2 VAL 41 HG22 VAL 41 -7.641 -8.181 11.305 278 3HG2 VAL 41 HG23 VAL 41 -6.323 -7.268 10.510 279 H GLY 42 HN GLY 42 -10.052 -5.962 8.262 280 1HA GLY 42 HA2 GLY 42 -11.088 -4.162 7.469 281 2HA GLY 42 HA1 GLY 42 -9.539 -3.648 6.712 282 H HIS 43 HN HIS 43 -8.939 -4.986 4.752 283 HA HIS 43 HA HIS 43 -11.319 -5.235 3.004 284 1HB HIS 43 HB2 HIS 43 -8.521 -4.143 2.360 285 2HB HIS 43 HB1 HIS 43 -9.725 -4.595 1.103 286 HD1 HIS 43 HD1 HIS 43 -8.832 -1.861 0.877 287 HD2 HIS 43 HD2 HIS 43 -11.998 -2.833 3.457 288 HE1 HIS 43 HE1 HIS 43 -10.213 0.232 1.181 289 HE2 HIS 43 HE2 HIS 43 -12.124 -0.404 2.743 290 H GLY 44 HN GLY 44 -7.680 -6.099 2.805 291 1HA GLY 44 HA2 GLY 44 -8.172 -8.827 2.771 292 2HA GLY 44 HA1 GLY 44 -8.177 -8.100 1.088 293 H LEU 45 HN LEU 45 -6.023 -9.509 1.282 294 HA LEU 45 HA LEU 45 -3.781 -8.713 2.611 295 1HB LEU 45 HB2 LEU 45 -4.039 -10.795 1.171 296 2HB LEU 45 HB1 LEU 45 -4.135 -9.735 -0.268 297 HG LEU 45 HG LEU 45 -1.747 -8.996 0.164 298 1HD1 LEU 45 HD11 LEU 45 -1.666 -11.360 2.155 299 2HD1 LEU 45 HD12 LEU 45 -1.555 -9.616 2.609 300 3HD1 LEU 45 HD13 LEU 45 -0.277 -10.367 1.588 301 1HD2 LEU 45 HD21 LEU 45 -2.199 -12.017 -0.287 302 2HD2 LEU 45 HD22 LEU 45 -0.746 -11.072 -0.766 303 3HD2 LEU 45 HD23 LEU 45 -2.332 -10.724 -1.538 304 H ALA 46 HN ALA 46 -2.095 -7.058 2.172 305 HA ALA 46 HA ALA 46 -2.969 -5.034 0.237 306 1HB ALA 46 HB1 ALA 46 -3.834 -4.415 2.557 307 2HB ALA 46 HB2 ALA 46 -2.548 -3.282 2.013 308 3HB ALA 46 HB3 ALA 46 -2.169 -4.601 3.201 309 H CYS 47 HN CYS 47 -0.656 -3.250 0.839 310 HA CYS 47 HA CYS 47 1.541 -5.205 0.949 311 1HB CYS 47 HB2 CYS 47 1.437 -4.903 -1.430 312 2HB CYS 47 HB1 CYS 47 0.918 -3.207 -1.260 313 H TRP 48 HN TRP 48 3.391 -3.996 2.013 314 HA TRP 48 HA TRP 48 2.301 -1.772 3.616 315 1HB TRP 48 HB2 TRP 48 2.901 -3.621 5.087 316 2HB TRP 48 HB1 TRP 48 4.443 -3.872 4.210 317 HD1 TRP 48 HD1 TRP 48 6.499 -2.229 4.783 318 HE1 TRP 48 HE1 TRP 48 6.948 -0.489 6.594 319 HE3 TRP 48 HE3 TRP 48 1.763 -1.920 6.627 320 HZ2 TRP 48 HZ2 TRP 48 5.379 0.966 8.524 321 HZ3 TRP 48 HZ3 TRP 48 1.268 -0.286 8.420 322 HH2 TRP 48 HH2 TRP 48 3.058 1.139 9.354 323 H CYS 49 HN CYS 49 3.763 0.148 3.833 324 HA CYS 49 HA CYS 49 6.211 -0.016 2.295 325 1HB CYS 49 HB2 CYS 49 4.014 2.100 1.865 326 2HB CYS 49 HB1 CYS 49 5.738 2.469 1.554 327 H ASN 50 HN ASN 50 7.800 1.292 3.211 328 HA ASN 50 HA ASN 50 6.944 2.862 5.560 329 1HB ASN 50 HB2 ASN 50 9.604 1.516 4.842 330 2HB ASN 50 HB1 ASN 50 9.640 3.060 5.756 331 1HD2 ASN 50 HD21 ASN 50 8.788 3.168 7.912 332 2HD2 ASN 50 HD22 ASN 50 8.488 1.731 8.836 333 H ALA 51 HN ALA 51 7.299 5.006 5.469 334 HA ALA 51 HA ALA 51 7.709 6.970 4.843 335 1HB ALA 51 HB1 ALA 51 10.068 6.370 5.118 336 2HB ALA 51 HB2 ALA 51 9.881 7.544 3.757 337 3HB ALA 51 HB3 ALA 51 10.125 5.786 3.419 338 H LEU 52 HN LEU 52 5.682 7.023 3.640 339 HA LEU 52 HA LEU 52 6.179 7.191 0.718 340 1HB LEU 52 HB2 LEU 52 3.586 6.693 2.282 341 2HB LEU 52 HB1 LEU 52 3.582 7.266 0.579 342 HG LEU 52 HG LEU 52 4.990 4.694 1.450 343 1HD1 LEU 52 HD11 LEU 52 2.152 5.085 0.292 344 2HD1 LEU 52 HD12 LEU 52 2.574 4.460 1.938 345 3HD1 LEU 52 HD13 LEU 52 2.986 3.501 0.463 346 1HD2 LEU 52 HD21 LEU 52 5.764 5.731 -0.723 347 2HD2 LEU 52 HD22 LEU 52 4.089 5.667 -1.346 348 3HD2 LEU 52 HD23 LEU 52 4.971 4.146 -0.964 349 HA PRO 53 HA PRO 53 5.610 11.441 1.981 350 1HB PRO 53 HB2 PRO 53 5.444 12.734 -0.501 351 2HB PRO 53 HB1 PRO 53 6.980 12.089 0.183 352 1HG PRO 53 HG1 PRO 53 5.151 10.778 -1.881 353 2HG PRO 53 HG2 PRO 53 6.953 10.908 -1.889 354 1HD PRO 53 HD1 PRO 53 5.541 8.638 -1.005 355 2HD PRO 53 HD2 PRO 53 7.154 9.096 -0.333 356 H ASP 54 HN ASP 54 4.011 13.287 1.627 357 HA ASP 54 HA ASP 54 1.604 12.296 2.427 358 1HB ASP 54 HB2 ASP 54 2.325 15.102 1.406 359 2HB ASP 54 HB1 ASP 54 0.832 14.705 2.345 360 H ASN 55 HN ASN 55 2.588 12.857 -0.849 361 HA ASN 55 HA ASN 55 -0.044 13.509 -1.804 362 1HB ASN 55 HB2 ASN 55 1.040 13.415 -4.086 363 2HB ASN 55 HB1 ASN 55 1.849 14.555 -2.959 364 1HD2 ASN 55 HD22 ASN 55 2.517 12.074 -5.203 365 2HD2 ASN 55 HD21 ASN 55 4.103 11.647 -4.635 366 H VAL 56 HN VAL 56 1.406 10.597 -0.806 367 HA VAL 56 HA VAL 56 0.193 9.071 -2.994 368 HB VAL 56 HB VAL 56 1.779 7.968 -0.630 369 1HG1 VAL 56 HG11 VAL 56 1.237 6.994 -3.531 370 2HG1 VAL 56 HG12 VAL 56 0.447 6.355 -2.035 371 3HG1 VAL 56 HG13 VAL 56 2.212 6.131 -2.293 372 1HG2 VAL 56 HG21 VAL 56 2.814 9.257 -3.245 373 2HG2 VAL 56 HG22 VAL 56 3.787 8.123 -2.229 374 3HG2 VAL 56 HG23 VAL 56 3.242 9.683 -1.560 375 H GLY 57 HN GLY 57 -1.844 8.058 -2.603 376 1HA GLY 57 HA2 GLY 57 -2.878 8.481 0.111 377 2HA GLY 57 HA1 GLY 57 -3.827 8.264 -1.433 378 H ILE 58 HN ILE 58 -3.835 6.645 1.128 379 HA ILE 58 HA ILE 58 -2.762 4.111 0.136 380 HB ILE 58 HB ILE 58 -1.892 3.680 2.422 381 1HG1 ILE 58 HG12 ILE 58 -2.288 6.717 2.851 382 2HG1 ILE 58 HG11 ILE 58 -3.237 5.422 3.663 383 1HG2 ILE 58 HG21 ILE 58 -0.586 6.103 1.018 384 2HG2 ILE 58 HG22 ILE 58 -0.481 4.397 0.440 385 3HG2 ILE 58 HG23 ILE 58 0.213 4.848 2.028 386 1HD1 ILE 58 HD11 ILE 58 -1.065 4.509 4.620 387 2HD1 ILE 58 HD12 ILE 58 -1.464 6.179 5.178 388 3HD1 ILE 58 HD13 ILE 58 -0.199 5.931 3.922 389 H ILE 59 HN ILE 59 -3.540 2.979 2.864 390 HA ILE 59 HA ILE 59 -6.274 2.529 2.114 391 HB ILE 59 HB ILE 59 -5.451 1.787 4.929 392 1HG1 ILE 59 HG12 ILE 59 -3.454 1.079 3.881 393 2HG1 ILE 59 HG11 ILE 59 -4.492 -0.318 4.306 394 1HG2 ILE 59 HG21 ILE 59 -7.171 0.552 2.667 395 2HG2 ILE 59 HG22 ILE 59 -7.750 1.429 4.127 396 3HG2 ILE 59 HG23 ILE 59 -6.945 -0.169 4.307 397 1HD1 ILE 59 HD11 ILE 59 -5.258 -0.242 1.779 398 2HD1 ILE 59 HD12 ILE 59 -3.634 -0.925 2.189 399 3HD1 ILE 59 HD13 ILE 59 -3.757 0.742 1.553 400 H VAL 60 HN VAL 60 -7.836 3.954 2.610 401 HA VAL 60 HA VAL 60 -7.280 5.912 4.768 402 HB VAL 60 HB VAL 60 -8.864 6.020 2.173 403 1HG1 VAL 60 HG11 VAL 60 -9.651 8.258 2.842 404 2HG1 VAL 60 HG12 VAL 60 -8.987 8.005 4.512 405 3HG1 VAL 60 HG13 VAL 60 -10.343 6.969 3.890 406 1HG2 VAL 60 HG21 VAL 60 -6.407 6.486 2.072 407 2HG2 VAL 60 HG22 VAL 60 -6.589 7.742 3.357 408 3HG2 VAL 60 HG23 VAL 60 -7.368 7.965 1.749 409 H GLU 61 HN GLU 61 -8.146 5.139 6.612 410 HA GLU 61 HA GLU 61 -9.389 4.151 8.043 411 1HB GLU 61 HB2 GLU 61 -11.117 5.790 7.099 412 2HB GLU 61 HB1 GLU 61 -11.732 4.469 6.094 413 1HG GLU 61 HG2 GLU 61 -13.169 4.783 8.065 414 2HG GLU 61 HG1 GLU 61 -12.330 3.204 8.266 415 H GLY 62 HN GLY 62 -11.791 2.344 6.602 416 1HA GLY 62 HA2 GLY 62 -10.162 0.586 5.028 417 2HA GLY 62 HA1 GLY 62 -10.914 -0.122 6.541 418 H GLU 63 HN GLU 63 -11.869 2.512 4.318 419 HA GLU 63 HA GLU 63 -14.598 1.526 4.655 420 1HB GLU 63 HB2 GLU 63 -14.021 3.876 5.326 421 2HB GLU 63 HB1 GLU 63 -13.625 4.251 3.621 422 1HG GLU 63 HG2 GLU 63 -15.876 5.076 4.226 423 2HG GLU 63 HG1 GLU 63 -16.017 3.793 2.970 424 H LYS 64 HN LYS 64 -12.573 2.830 1.929 425 HA LYS 64 HA LYS 64 -14.697 1.836 0.143 426 1HB LYS 64 HB2 LYS 64 -14.628 4.393 0.651 427 2HB LYS 64 HB1 LYS 64 -13.021 4.416 -0.134 428 1HG LYS 64 HG2 LYS 64 -14.742 5.280 -1.611 429 2HG LYS 64 HG1 LYS 64 -14.095 3.771 -2.315 430 1HD LYS 64 HD2 LYS 64 -16.132 2.532 -1.518 431 2HD LYS 64 HD1 LYS 64 -16.724 4.027 -0.706 432 1HE LYS 64 HE2 LYS 64 -16.930 5.188 -2.894 433 2HE LYS 64 HE1 LYS 64 -16.246 3.746 -3.754 434 1HZ LYS 64 HZ1 LYS 64 -18.759 3.794 -2.165 435 2HZ LYS 64 HZ2 LYS 64 -18.117 2.465 -3.009 436 3HZ LYS 64 HZ3 LYS 64 -18.636 3.841 -3.857 437 H CYS 65 HN CYS 65 -13.738 1.603 -2.243 438 HA CYS 65 HA CYS 65 -10.915 1.550 -2.339 439 1HB CYS 65 HB2 CYS 65 -11.349 -0.878 -1.903 440 2HB CYS 65 HB1 CYS 65 -12.723 -0.863 -3.027 441 H HIS 66 HN HIS 66 -10.587 2.621 -4.308 442 HA HIS 66 HA HIS 66 -12.356 2.267 -6.472 443 1HB HIS 66 HB2 HIS 66 -13.796 4.048 -5.811 444 2HB HIS 66 HB1 HIS 66 -12.499 4.856 -4.870 445 HD1 HIS 66 HD1 HIS 66 -11.072 6.521 -5.988 446 HD2 HIS 66 HD2 HIS 66 -13.548 4.615 -8.779 447 HE1 HIS 66 HE1 HIS 66 -10.718 7.688 -8.171 448 HE2 HIS 66 HE2 HIS 66 -12.261 6.529 -9.857 449 H SER 67 HN SER 67 -10.732 1.949 -7.982 450 HA SER 67 HA SER 67 -8.113 2.885 -7.391 451 1HB SER 67 HB2 SER 67 -9.186 1.502 -9.919 452 2HB SER 67 HB1 SER 67 -7.462 1.619 -9.390 453 HG SER 67 HG SER 67 -7.776 0.043 -8.032 454 1HN NH2 68 H1 NH2 68 -8.220 5.908 -9.270 455 2HN NH2 68 H2 NH2 68 -7.467 4.943 -8.011 Start of MODEL 31 1 1H VAL 1 HT1 VAL 1 5.820 12.421 6.265 2 2H VAL 1 HT2 VAL 1 4.650 13.050 5.213 3 3H VAL 1 HT3 VAL 1 6.282 13.031 4.741 4 HA VAL 1 HA VAL 1 5.000 11.346 3.659 5 HB VAL 1 HB VAL 1 6.384 9.324 4.248 6 1HG1 VAL 1 HG11 VAL 1 7.264 11.056 2.685 7 2HG1 VAL 1 HG12 VAL 1 8.567 10.291 3.652 8 3HG1 VAL 1 HG13 VAL 1 7.991 11.950 4.066 9 1HG2 VAL 1 HG21 VAL 1 8.162 9.564 6.019 10 2HG2 VAL 1 HG22 VAL 1 6.505 9.535 6.711 11 3HG2 VAL 1 HG23 VAL 1 7.405 11.095 6.574 12 H ARG 2 HN ARG 2 4.102 9.040 3.918 13 HA ARG 2 HA ARG 2 2.621 8.764 6.476 14 1HB ARG 2 HB2 ARG 2 2.182 7.113 3.905 15 2HB ARG 2 HB1 ARG 2 1.266 7.011 5.442 16 1HG ARG 2 HG2 ARG 2 -0.145 7.998 3.933 17 2HG ARG 2 HG1 ARG 2 0.350 9.372 4.967 18 1HD ARG 2 HD2 ARG 2 1.682 10.336 3.145 19 2HD ARG 2 HD1 ARG 2 1.723 8.762 2.257 20 HE ARG 2 HE ARG 2 -0.465 9.088 1.456 21 1HH1 ARG 2 HH21 ARG 2 0.387 11.751 3.713 22 2HH1 ARG 2 HH22 ARG 2 -0.944 12.743 3.225 23 1HH2 ARG 2 HH11 ARG 2 -2.194 10.446 0.820 24 2HH2 ARG 2 HH12 ARG 2 -2.444 11.986 1.568 25 H ASP 3 HN ASP 3 2.820 6.581 7.490 26 HA ASP 3 HA ASP 3 4.586 4.734 6.104 27 1HB ASP 3 HB2 ASP 3 4.167 4.761 9.182 28 2HB ASP 3 HB1 ASP 3 5.165 3.628 8.225 29 H GLY 4 HN GLY 4 3.138 2.973 5.587 30 1HA GLY 4 HA2 GLY 4 0.784 2.703 7.139 31 2HA GLY 4 HA1 GLY 4 0.516 3.556 5.553 32 H TYR 5 HN TYR 5 -0.809 1.652 5.088 33 HA TYR 5 HA TYR 5 0.764 -0.532 3.952 34 1HB TYR 5 HB2 TYR 5 -2.209 -0.157 4.672 35 2HB TYR 5 HB1 TYR 5 -1.754 -1.314 3.370 36 HD1 TYR 5 HD1 TYR 5 0.063 -3.095 4.032 37 HD2 TYR 5 HD2 TYR 5 -2.317 -0.929 6.879 38 HE1 TYR 5 HE1 TYR 5 0.480 -4.843 5.693 39 HE2 TYR 5 HE2 TYR 5 -1.922 -2.692 8.552 40 HH TYR 5 HH TYR 5 -0.054 -5.670 7.779 41 H ILE 6 HN ILE 6 0.705 -0.469 1.643 42 HA ILE 6 HA ILE 6 -0.340 2.021 0.511 43 HB ILE 6 HB ILE 6 2.067 1.234 0.096 44 1HG1 ILE 6 HG12 ILE 6 0.195 1.935 -2.241 45 2HG1 ILE 6 HG11 ILE 6 1.083 3.050 -1.151 46 1HG2 ILE 6 HG21 ILE 6 1.490 -1.186 -0.311 47 2HG2 ILE 6 HG22 ILE 6 2.491 -0.460 -1.598 48 3HG2 ILE 6 HG23 ILE 6 0.734 -0.732 -1.872 49 1HD1 ILE 6 HD11 ILE 6 2.331 2.965 -3.213 50 2HD1 ILE 6 HD12 ILE 6 2.255 1.167 -3.301 51 3HD1 ILE 6 HD13 ILE 6 3.275 1.972 -2.048 52 H ALA 7 HN ALA 7 -1.755 1.885 -1.338 53 HA ALA 7 HA ALA 7 -3.101 -0.447 -2.020 54 1HB ALA 7 HB1 ALA 7 -4.667 -0.022 -0.284 55 2HB ALA 7 HB2 ALA 7 -5.343 0.990 -1.591 56 3HB ALA 7 HB3 ALA 7 -4.355 1.753 -0.307 57 H GLN 8 HN GLN 8 -4.817 0.791 -3.684 58 HA GLN 8 HA GLN 8 -3.114 2.604 -5.187 59 1HB GLN 8 HB2 GLN 8 -5.882 1.345 -5.739 60 2HB GLN 8 HB1 GLN 8 -4.990 2.364 -6.914 61 1HG GLN 8 HG2 GLN 8 -3.232 0.690 -7.164 62 2HG GLN 8 HG1 GLN 8 -3.852 -0.292 -5.789 63 1HE2 GLN 8 HE22 GLN 8 -5.644 -1.692 -6.106 64 2HE2 GLN 8 HE21 GLN 8 -6.383 -1.926 -7.673 65 HA PRO 9 HA PRO 9 -5.719 5.949 -3.712 66 1HB PRO 9 HB2 PRO 9 -5.706 6.732 -6.678 67 2HB PRO 9 HB1 PRO 9 -5.603 7.833 -5.245 68 1HG PRO 9 HG1 PRO 9 -3.310 7.120 -6.536 69 2HG PRO 9 HG2 PRO 9 -3.355 7.041 -4.725 70 1HD PRO 9 HD1 PRO 9 -3.601 4.708 -6.693 71 2HD PRO 9 HD2 PRO 9 -2.752 4.813 -5.075 72 H GLU 10 HN GLU 10 -9.093 4.789 -4.490 73 HA GLU 10 HA GLU 10 -7.147 5.622 -2.480 74 1HB GLU 10 HB2 GLU 10 -10.045 6.572 -2.821 75 2HB GLU 10 HB1 GLU 10 -9.055 6.864 -1.362 76 1HG GLU 10 HG2 GLU 10 -8.196 7.922 -4.136 77 2HG GLU 10 HG1 GLU 10 -9.370 8.796 -3.085 78 H ASN 11 HN ASN 11 -6.940 3.848 -1.264 79 HA ASN 11 HA ASN 11 -7.449 2.260 0.094 80 1HB ASN 11 HB2 ASN 11 -8.922 4.166 0.996 81 2HB ASN 11 HB1 ASN 11 -10.308 3.340 0.225 82 1HD2 ASN 11 HD21 ASN 11 -10.023 3.971 3.044 83 2HD2 ASN 11 HD22 ASN 11 -10.434 2.465 3.768 84 H CYS 12 HN CYS 12 -7.471 1.552 -2.601 85 HA CYS 12 HA CYS 12 -9.222 -0.817 -2.366 86 1HB CYS 12 HB2 CYS 12 -8.747 0.930 -4.843 87 2HB CYS 12 HB1 CYS 12 -8.596 -0.838 -5.051 88 H VAL 13 HN VAL 13 -7.714 -2.531 -2.148 89 HA VAL 13 HA VAL 13 -5.216 -1.515 -1.579 90 HB VAL 13 HB VAL 13 -4.515 -3.710 -0.814 91 1HG1 VAL 13 HG11 VAL 13 -5.687 -2.095 0.611 92 2HG1 VAL 13 HG12 VAL 13 -6.222 -3.762 1.005 93 3HG1 VAL 13 HG13 VAL 13 -7.285 -2.662 0.040 94 1HG2 VAL 13 HG21 VAL 13 -5.664 -5.130 -2.509 95 2HG2 VAL 13 HG22 VAL 13 -7.276 -4.624 -1.870 96 3HG2 VAL 13 HG23 VAL 13 -6.140 -5.574 -0.839 97 H TYR 14 HN TYR 14 -3.115 -3.000 -2.024 98 HA TYR 14 HA TYR 14 -2.758 -3.157 -4.840 99 1HB TYR 14 HB2 TYR 14 -1.506 -1.199 -2.921 100 2HB TYR 14 HB1 TYR 14 -0.274 -2.360 -3.405 101 HD1 TYR 14 HD1 TYR 14 -1.351 -2.722 -6.412 102 HD2 TYR 14 HD2 TYR 14 -0.473 0.674 -3.914 103 HE1 TYR 14 HE1 TYR 14 -0.924 -1.378 -8.397 104 HE2 TYR 14 HE2 TYR 14 -0.073 2.036 -5.902 105 HH TYR 14 HH TYR 14 -0.255 0.648 -9.214 106 H HIS 15 HN HIS 15 -1.650 -5.328 -4.845 107 HA HIS 15 HA HIS 15 -1.923 -6.539 -2.198 108 1HB HIS 15 HB2 HIS 15 -1.715 -7.783 -4.990 109 2HB HIS 15 HB1 HIS 15 -1.770 -8.726 -3.458 110 HD1 HIS 15 HD1 HIS 15 -4.026 -6.163 -5.176 111 HD2 HIS 15 HD2 HIS 15 -4.172 -9.385 -2.490 112 HE1 HIS 15 HE1 HIS 15 -6.469 -6.583 -4.631 113 HE2 HIS 15 HE2 HIS 15 -6.516 -8.543 -3.033 114 H CYS 16 HN CYS 16 0.033 -8.735 -3.382 115 HA CYS 16 HA CYS 16 2.560 -7.497 -3.164 116 1HB CYS 16 HB2 CYS 16 1.999 -7.848 -0.678 117 2HB CYS 16 HB1 CYS 16 1.250 -9.407 -1.090 118 H PHE 17 HN PHE 17 3.904 -9.455 -4.002 119 HA PHE 17 HA PHE 17 2.198 -11.540 -5.133 120 1HB PHE 17 HB2 PHE 17 4.918 -10.462 -6.137 121 2HB PHE 17 HB1 PHE 17 4.163 -12.001 -6.649 122 HD1 PHE 17 HD1 PHE 17 4.415 -8.524 -7.451 123 HD2 PHE 17 HD2 PHE 17 1.651 -11.824 -7.485 124 HE1 PHE 17 HE1 PHE 17 3.001 -7.318 -9.055 125 HE2 PHE 17 HE2 PHE 17 0.240 -10.612 -9.112 126 HZ PHE 17 HZ PHE 17 0.899 -8.350 -9.887 127 HA PRO 18 HA PRO 18 3.978 -12.740 -1.291 128 1HB PRO 18 HB2 PRO 18 3.440 -15.519 -2.492 129 2HB PRO 18 HB1 PRO 18 3.289 -15.044 -0.753 130 1HG PRO 18 HG1 PRO 18 1.144 -15.010 -2.543 131 2HG PRO 18 HG2 PRO 18 1.280 -13.798 -1.203 132 1HD PRO 18 HD1 PRO 18 1.515 -13.293 -4.100 133 2HD PRO 18 HD2 PRO 18 1.555 -12.122 -2.717 134 H GLY 19 HN GLY 19 6.051 -12.181 -1.105 135 1HA GLY 19 HA2 GLY 19 8.009 -13.867 -0.622 136 2HA GLY 19 HA1 GLY 19 8.214 -13.274 -2.365 137 H SER 20 HN SER 20 9.999 -11.707 -0.968 138 HA SER 20 HA SER 20 8.620 -9.484 0.190 139 1HB SER 20 HB2 SER 20 11.478 -9.555 -0.963 140 2HB SER 20 HB1 SER 20 10.826 -8.488 0.345 141 HG SER 20 HG SER 20 11.986 -10.180 1.246 142 H SER 21 HN SER 21 9.587 -10.683 -2.935 143 HA SER 21 HA SER 21 10.352 -8.851 -4.470 144 1HB SER 21 HB2 SER 21 8.248 -10.896 -5.375 145 2HB SER 21 HB1 SER 21 9.775 -10.416 -6.202 146 HG SER 21 HG SER 21 9.884 -12.443 -5.105 147 H GLY 22 HN GLY 22 6.758 -9.533 -4.198 148 1HA GLY 22 HA2 GLY 22 6.320 -7.669 -6.284 149 2HA GLY 22 HA1 GLY 22 5.093 -8.450 -5.228 150 H CYS 23 HN CYS 23 6.267 -7.399 -2.758 151 HA CYS 23 HA CYS 23 4.877 -4.859 -2.855 152 1HB CYS 23 HB2 CYS 23 4.459 -6.361 -0.978 153 2HB CYS 23 HB1 CYS 23 6.206 -6.373 -0.550 154 H ASP 24 HN ASP 24 8.209 -6.178 -2.425 155 HA ASP 24 HA ASP 24 9.529 -3.791 -1.996 156 1HB ASP 24 HB2 ASP 24 10.591 -6.092 -1.920 157 2HB ASP 24 HB1 ASP 24 10.484 -6.182 -3.710 158 H THR 25 HN THR 25 8.670 -5.380 -5.110 159 HA THR 25 HA THR 25 9.563 -3.372 -6.797 160 HB THR 25 HB THR 25 7.061 -5.016 -7.248 161 HG1 THR 25 HG1 THR 25 8.727 -6.447 -6.665 162 1HG2 THR 25 HG21 THR 25 7.791 -4.888 -9.669 163 2HG2 THR 25 HG22 THR 25 9.246 -3.936 -9.188 164 3HG2 THR 25 HG23 THR 25 7.597 -3.235 -8.998 165 H LEU 26 HN LEU 26 6.168 -3.810 -5.477 166 HA LEU 26 HA LEU 26 5.065 -1.612 -6.745 167 1HB LEU 26 HB2 LEU 26 4.368 -3.066 -4.144 168 2HB LEU 26 HB1 LEU 26 3.395 -1.660 -4.669 169 HG LEU 26 HG LEU 26 3.813 -4.100 -6.461 170 1HD1 LEU 26 HD11 LEU 26 1.516 -4.807 -5.663 171 2HD1 LEU 26 HD12 LEU 26 1.575 -3.510 -4.411 172 3HD1 LEU 26 HD13 LEU 26 2.764 -4.856 -4.372 173 1HD2 LEU 26 HD21 LEU 26 1.756 -3.207 -7.607 174 2HD2 LEU 26 HD22 LEU 26 3.103 -2.016 -7.656 175 3HD2 LEU 26 HD23 LEU 26 1.754 -1.789 -6.480 176 H CYS 27 HN CYS 27 6.505 -1.898 -3.471 177 HA CYS 27 HA CYS 27 5.763 0.675 -2.684 178 1HB CYS 27 HB2 CYS 27 6.529 -1.372 -1.230 179 2HB CYS 27 HB1 CYS 27 8.206 -0.864 -1.598 180 H LYS 28 HN LYS 28 8.729 -0.683 -4.306 181 HA LYS 28 HA LYS 28 10.095 1.811 -4.092 182 1HB LYS 28 HB2 LYS 28 10.549 -0.607 -5.929 183 2HB LYS 28 HB1 LYS 28 11.551 0.886 -6.014 184 1HG LYS 28 HG2 LYS 28 12.246 0.636 -3.662 185 2HG LYS 28 HG1 LYS 28 11.287 -0.872 -3.505 186 1HD LYS 28 HD2 LYS 28 12.652 -1.970 -5.260 187 2HD LYS 28 HD1 LYS 28 13.552 -0.437 -5.557 188 1HE LYS 28 HE2 LYS 28 14.523 -0.534 -3.244 189 2HE LYS 28 HE1 LYS 28 13.622 -2.069 -2.920 190 1HZ LYS 28 HZ1 LYS 28 14.802 -3.090 -4.746 191 2HZ LYS 28 HZ2 LYS 28 15.883 -2.466 -3.596 192 3HZ LYS 28 HZ3 LYS 28 15.640 -1.648 -5.064 193 H GLU 29 HN GLU 29 8.086 0.299 -6.726 194 HA GLU 29 HA GLU 29 8.797 2.352 -8.512 195 1HB GLU 29 HB2 GLU 29 7.227 1.478 -10.089 196 2HB GLU 29 HB1 GLU 29 8.080 0.123 -9.277 197 1HG GLU 29 HG2 GLU 29 6.016 -0.115 -7.771 198 2HG GLU 29 HG1 GLU 29 5.183 1.093 -8.809 199 H LYS 30 HN LYS 30 6.329 2.260 -5.998 200 HA LYS 30 HA LYS 30 5.093 4.674 -7.096 201 1HB LYS 30 HB2 LYS 30 4.570 3.149 -4.506 202 2HB LYS 30 HB1 LYS 30 3.696 4.629 -4.994 203 1HG LYS 30 HG2 LYS 30 3.726 2.068 -6.735 204 2HG LYS 30 HG1 LYS 30 2.562 2.366 -5.414 205 1HD LYS 30 HD2 LYS 30 1.326 3.004 -7.230 206 2HD LYS 30 HD1 LYS 30 1.883 4.564 -6.568 207 1HE LYS 30 HE2 LYS 30 1.870 4.516 -9.050 208 2HE LYS 30 HE1 LYS 30 3.577 4.693 -8.493 209 1HZ LYS 30 HZ1 LYS 30 3.223 3.081 -10.285 210 2HZ LYS 30 HZ2 LYS 30 2.283 2.121 -9.247 211 3HZ LYS 30 HZ3 LYS 30 3.930 2.385 -8.901 212 H GLY 31 HN GLY 31 7.164 3.703 -4.240 213 1HA GLY 31 HA2 GLY 31 9.069 5.119 -4.164 214 2HA GLY 31 HA1 GLY 31 7.981 6.555 -4.214 215 H GLY 32 HN GLY 32 7.809 3.448 -2.330 216 1HA GLY 32 HA2 GLY 32 8.257 5.063 0.099 217 2HA GLY 32 HA1 GLY 32 7.272 3.535 -0.008 218 H THR 33 HN THR 33 9.933 3.976 1.499 219 HA THR 33 HA THR 33 11.850 2.803 -0.323 220 HB THR 33 HB THR 33 13.308 3.149 1.849 221 HG1 THR 33 HG1 THR 33 12.412 4.733 3.169 222 1HG2 THR 33 HG21 THR 33 12.059 5.481 0.221 223 2HG2 THR 33 HG22 THR 33 13.463 4.473 -0.272 224 3HG2 THR 33 HG23 THR 33 13.601 5.563 1.152 225 H SER 34 HN SER 34 10.618 2.087 3.011 226 HA SER 34 HA SER 34 11.540 -0.698 2.580 227 1HB SER 34 HB2 SER 34 10.390 0.527 5.166 228 2HB SER 34 HB1 SER 34 11.171 -1.080 4.970 229 HG SER 34 HG SER 34 12.384 1.474 4.639 230 H GLY 35 HN GLY 35 9.842 -2.502 2.795 231 1HA GLY 35 HA2 GLY 35 7.251 -1.794 3.416 232 2HA GLY 35 HA1 GLY 35 7.515 -2.026 1.615 233 H HIS 36 HN HIS 36 6.018 -4.100 2.969 234 HA HIS 36 HA HIS 36 7.577 -6.321 2.544 235 1HB HIS 36 HB2 HIS 36 7.474 -7.330 4.859 236 2HB HIS 36 HB1 HIS 36 8.620 -5.952 4.795 237 HD1 HIS 36 HD1 HIS 36 8.143 -3.977 6.303 238 HD2 HIS 36 HD2 HIS 36 5.019 -6.780 6.349 239 HE1 HIS 36 HE1 HIS 36 6.606 -3.364 8.228 240 HE2 HIS 36 HE2 HIS 36 4.740 -5.077 8.219 241 H CYS 37 HN CYS 37 5.839 -8.213 3.459 242 HA CYS 37 HA CYS 37 3.192 -7.041 2.893 243 1HB CYS 37 HB2 CYS 37 4.042 -9.962 2.428 244 2HB CYS 37 HB1 CYS 37 2.542 -9.145 1.878 245 H GLY 38 HN GLY 38 1.513 -7.760 4.373 246 1HA GLY 38 HA2 GLY 38 1.622 -9.835 6.077 247 2HA GLY 38 HA1 GLY 38 2.510 -8.483 6.911 248 H PHE 39 HN PHE 39 -0.689 -9.588 5.602 249 HA PHE 39 HA PHE 39 -2.098 -8.107 7.362 250 1HB PHE 39 HB2 PHE 39 -1.426 -6.211 5.570 251 2HB PHE 39 HB1 PHE 39 -2.370 -7.161 4.395 252 HD1 PHE 39 HD1 PHE 39 -2.941 -6.186 8.054 253 HD2 PHE 39 HD2 PHE 39 -4.305 -5.924 3.971 254 HE1 PHE 39 HE1 PHE 39 -4.877 -4.872 8.782 255 HE2 PHE 39 HE2 PHE 39 -6.225 -4.575 4.710 256 HZ PHE 39 HZ PHE 39 -6.504 -4.003 7.110 257 H LYS 40 HN LYS 40 -4.536 -8.636 6.312 258 HA LYS 40 HA LYS 40 -5.021 -10.050 4.143 259 1HB LYS 40 HB2 LYS 40 -3.970 -11.939 6.238 260 2HB LYS 40 HB1 LYS 40 -5.560 -12.428 5.599 261 1HG LYS 40 HG2 LYS 40 -3.136 -11.926 3.802 262 2HG LYS 40 HG1 LYS 40 -3.668 -13.511 4.454 263 1HD LYS 40 HD2 LYS 40 -5.869 -13.291 3.304 264 2HD LYS 40 HD1 LYS 40 -5.386 -11.692 2.644 265 1HE LYS 40 HE2 LYS 40 -5.141 -13.419 0.909 266 2HE LYS 40 HE1 LYS 40 -3.504 -12.773 1.352 267 1HZ LYS 40 HZ1 LYS 40 -3.182 -14.705 2.732 268 2HZ LYS 40 HZ2 LYS 40 -3.548 -15.164 1.138 269 3HZ LYS 40 HZ3 LYS 40 -4.727 -15.300 2.351 270 H VAL 41 HN VAL 41 -6.279 -7.943 5.332 271 HA VAL 41 HA VAL 41 -8.556 -9.132 6.683 272 HB VAL 41 HB VAL 41 -6.997 -6.691 7.684 273 1HG1 VAL 41 HG11 VAL 41 -9.555 -8.076 8.741 274 2HG1 VAL 41 HG12 VAL 41 -9.430 -6.403 8.071 275 3HG1 VAL 41 HG13 VAL 41 -8.619 -6.810 9.618 276 1HG2 VAL 41 HG21 VAL 41 -6.632 -8.198 9.737 277 2HG2 VAL 41 HG22 VAL 41 -5.746 -8.720 8.262 278 3HG2 VAL 41 HG23 VAL 41 -7.255 -9.576 8.746 279 H GLY 42 HN GLY 42 -10.454 -8.154 5.937 280 1HA GLY 42 HA2 GLY 42 -11.747 -6.430 5.446 281 2HA GLY 42 HA1 GLY 42 -10.296 -5.394 5.187 282 H HIS 43 HN HIS 43 -8.948 -6.284 3.238 283 HA HIS 43 HA HIS 43 -10.834 -6.340 0.937 284 1HB HIS 43 HB2 HIS 43 -7.891 -5.419 1.099 285 2HB HIS 43 HB1 HIS 43 -8.896 -5.429 -0.387 286 HD1 HIS 43 HD1 HIS 43 -10.413 -3.395 -0.724 287 HD2 HIS 43 HD2 HIS 43 -8.456 -3.351 2.992 288 HE1 HIS 43 HE1 HIS 43 -10.589 -1.038 0.206 289 HE2 HIS 43 HE2 HIS 43 -9.421 -1.055 2.429 290 H GLY 44 HN GLY 44 -7.568 -7.435 2.203 291 1HA GLY 44 HA2 GLY 44 -7.696 -10.017 1.754 292 2HA GLY 44 HA1 GLY 44 -7.126 -9.248 0.170 293 H LEU 45 HN LEU 45 -4.788 -9.560 0.579 294 HA LEU 45 HA LEU 45 -3.789 -8.205 2.938 295 1HB LEU 45 HB2 LEU 45 -2.079 -9.533 2.946 296 2HB LEU 45 HB1 LEU 45 -2.924 -10.466 1.754 297 HG LEU 45 HG LEU 45 -0.759 -8.422 1.030 298 1HD1 LEU 45 HD11 LEU 45 0.603 -10.452 0.530 299 2HD1 LEU 45 HD12 LEU 45 -0.781 -11.516 0.960 300 3HD1 LEU 45 HD13 LEU 45 0.022 -10.526 2.230 301 1HD2 LEU 45 HD21 LEU 45 -2.324 -10.414 -0.755 302 2HD2 LEU 45 HD22 LEU 45 -0.907 -9.444 -1.267 303 3HD2 LEU 45 HD23 LEU 45 -2.444 -8.617 -0.838 304 H ALA 46 HN ALA 46 -1.811 -6.537 2.396 305 HA ALA 46 HA ALA 46 -2.439 -4.976 0.135 306 1HB ALA 46 HB1 ALA 46 -3.976 -3.867 1.870 307 2HB ALA 46 HB2 ALA 46 -2.568 -2.832 1.459 308 3HB ALA 46 HB3 ALA 46 -2.577 -3.775 3.000 309 H CYS 47 HN CYS 47 -0.388 -3.162 0.468 310 HA CYS 47 HA CYS 47 1.770 -5.045 1.351 311 1HB CYS 47 HB2 CYS 47 2.093 -4.980 -0.946 312 2HB CYS 47 HB1 CYS 47 1.358 -3.377 -1.111 313 H TRP 48 HN TRP 48 3.444 -4.072 2.748 314 HA TRP 48 HA TRP 48 2.366 -1.677 4.047 315 1HB TRP 48 HB2 TRP 48 2.996 -3.526 5.547 316 2HB TRP 48 HB1 TRP 48 4.647 -3.567 4.842 317 HD1 TRP 48 HD1 TRP 48 6.406 -1.674 5.679 318 HE1 TRP 48 HE1 TRP 48 6.353 0.171 7.376 319 HE3 TRP 48 HE3 TRP 48 1.506 -2.120 6.994 320 HZ2 TRP 48 HZ2 TRP 48 4.351 1.412 9.107 321 HZ3 TRP 48 HZ3 TRP 48 0.569 -0.604 8.718 322 HH2 TRP 48 HH2 TRP 48 1.978 1.135 9.761 323 H CYS 49 HN CYS 49 3.738 0.328 4.250 324 HA CYS 49 HA CYS 49 6.227 0.259 2.803 325 1HB CYS 49 HB2 CYS 49 3.857 2.004 1.931 326 2HB CYS 49 HB1 CYS 49 5.550 2.532 1.675 327 H ASN 50 HN ASN 50 7.640 1.674 3.731 328 HA ASN 50 HA ASN 50 6.525 3.563 5.732 329 1HB ASN 50 HB2 ASN 50 9.315 2.292 5.526 330 2HB ASN 50 HB1 ASN 50 9.057 3.835 6.394 331 1HD2 ASN 50 HD22 ASN 50 8.242 3.822 8.509 332 2HD2 ASN 50 HD21 ASN 50 7.816 2.369 9.346 333 H ALA 51 HN ALA 51 6.750 5.671 5.224 334 HA ALA 51 HA ALA 51 7.508 7.498 4.519 335 1HB ALA 51 HB1 ALA 51 9.765 7.874 3.564 336 2HB ALA 51 HB2 ALA 51 9.988 6.097 3.419 337 3HB ALA 51 HB3 ALA 51 9.819 6.851 5.052 338 H LEU 52 HN LEU 52 5.495 6.766 3.187 339 HA LEU 52 HA LEU 52 6.151 6.949 0.330 340 1HB LEU 52 HB2 LEU 52 3.468 6.673 1.801 341 2HB LEU 52 HB1 LEU 52 3.569 7.085 0.059 342 HG LEU 52 HG LEU 52 4.885 4.587 1.232 343 1HD1 LEU 52 HD11 LEU 52 2.894 3.294 0.442 344 2HD1 LEU 52 HD12 LEU 52 2.076 4.837 -0.013 345 3HD1 LEU 52 HD13 LEU 52 2.444 4.480 1.722 346 1HD2 LEU 52 HD21 LEU 52 4.928 3.739 -1.059 347 2HD2 LEU 52 HD22 LEU 52 5.619 5.392 -1.093 348 3HD2 LEU 52 HD23 LEU 52 3.950 5.111 -1.673 349 HA PRO 53 HA PRO 53 5.693 11.328 1.268 350 1HB PRO 53 HB2 PRO 53 5.714 12.398 -1.320 351 2HB PRO 53 HB1 PRO 53 7.185 11.680 -0.550 352 1HG PRO 53 HG1 PRO 53 5.246 10.334 -2.498 353 2HG PRO 53 HG2 PRO 53 7.052 10.365 -2.561 354 1HD PRO 53 HD1 PRO 53 5.543 8.267 -1.462 355 2HD PRO 53 HD2 PRO 53 7.186 8.694 -0.837 356 H ASP 54 HN ASP 54 4.204 13.176 0.606 357 HA ASP 54 HA ASP 54 1.704 12.447 1.356 358 1HB ASP 54 HB2 ASP 54 2.658 14.978 -0.110 359 2HB ASP 54 HB1 ASP 54 1.080 14.860 0.755 360 H ASN 55 HN ASN 55 2.920 12.433 -1.933 361 HA ASN 55 HA ASN 55 0.384 13.123 -3.091 362 1HB ASN 55 HB2 ASN 55 1.536 12.656 -5.301 363 2HB ASN 55 HB1 ASN 55 2.386 13.857 -4.278 364 1HD2 ASN 55 HD22 ASN 55 2.684 10.717 -5.855 365 2HD2 ASN 55 HD21 ASN 55 4.290 10.359 -5.300 366 H VAL 56 HN VAL 56 1.410 10.277 -1.604 367 HA VAL 56 HA VAL 56 0.203 8.567 -3.667 368 HB VAL 56 HB VAL 56 1.617 7.589 -1.153 369 1HG1 VAL 56 HG11 VAL 56 0.281 5.934 -2.463 370 2HG1 VAL 56 HG12 VAL 56 2.035 5.610 -2.695 371 3HG1 VAL 56 HG13 VAL 56 1.102 6.432 -3.990 372 1HG2 VAL 56 HG21 VAL 56 3.214 9.179 -2.199 373 2HG2 VAL 56 HG22 VAL 56 2.941 8.455 -3.819 374 3HG2 VAL 56 HG23 VAL 56 3.736 7.514 -2.505 375 H GLY 57 HN GLY 57 -1.858 7.755 -3.283 376 1HA GLY 57 HA2 GLY 57 -3.005 8.265 -0.635 377 2HA GLY 57 HA1 GLY 57 -3.888 8.034 -2.226 378 H ILE 58 HN ILE 58 -4.195 6.329 0.234 379 HA ILE 58 HA ILE 58 -3.008 3.807 -0.550 380 HB ILE 58 HB ILE 58 -1.938 3.612 1.711 381 1HG1 ILE 58 HG12 ILE 58 -2.108 6.689 1.900 382 2HG1 ILE 58 HG11 ILE 58 -3.256 5.624 2.763 383 1HG2 ILE 58 HG21 ILE 58 -0.723 5.932 0.114 384 2HG2 ILE 58 HG22 ILE 58 -0.718 4.221 -0.449 385 3HG2 ILE 58 HG23 ILE 58 0.119 4.668 1.088 386 1HD1 ILE 58 HD11 ILE 58 -1.436 6.247 4.284 387 2HD1 ILE 58 HD12 ILE 58 -0.189 5.643 3.130 388 3HD1 ILE 58 HD13 ILE 58 -1.321 4.488 3.929 389 H ILE 59 HN ILE 59 -3.576 3.032 2.354 390 HA ILE 59 HA ILE 59 -6.409 2.757 2.192 391 HB ILE 59 HB ILE 59 -4.861 2.425 4.794 392 1HG1 ILE 59 HG12 ILE 59 -3.402 1.301 3.212 393 2HG1 ILE 59 HG11 ILE 59 -4.214 0.180 4.336 394 1HG2 ILE 59 HG21 ILE 59 -7.398 2.219 4.697 395 2HG2 ILE 59 HG22 ILE 59 -6.590 0.685 5.188 396 3HG2 ILE 59 HG23 ILE 59 -7.221 0.870 3.514 397 1HD1 ILE 59 HD11 ILE 59 -3.930 -0.497 1.808 398 2HD1 ILE 59 HD12 ILE 59 -5.326 0.606 1.521 399 3HD1 ILE 59 HD13 ILE 59 -5.525 -0.817 2.594 400 H VAL 60 HN VAL 60 -7.867 4.447 2.893 401 HA VAL 60 HA VAL 60 -6.816 6.601 4.421 402 HB VAL 60 HB VAL 60 -6.238 6.467 1.705 403 1HG1 VAL 60 HG11 VAL 60 -8.579 8.458 1.853 404 2HG1 VAL 60 HG12 VAL 60 -8.558 6.863 0.996 405 3HG1 VAL 60 HG13 VAL 60 -7.435 8.172 0.496 406 1HG2 VAL 60 HG21 VAL 60 -5.331 8.709 2.007 407 2HG2 VAL 60 HG22 VAL 60 -5.038 7.670 3.456 408 3HG2 VAL 60 HG23 VAL 60 -6.313 8.946 3.498 409 H GLU 61 HN GLU 61 -8.470 8.349 4.570 410 HA GLU 61 HA GLU 61 -10.383 9.086 5.144 411 1HB GLU 61 HB2 GLU 61 -11.328 8.289 2.986 412 2HB GLU 61 HB1 GLU 61 -11.743 6.754 3.745 413 1HG GLU 61 HG2 GLU 61 -13.423 7.881 5.203 414 2HG GLU 61 HG1 GLU 61 -12.786 9.502 4.739 415 H GLY 62 HN GLY 62 -12.089 6.126 5.617 416 1HA GLY 62 HA2 GLY 62 -10.994 4.952 7.797 417 2HA GLY 62 HA1 GLY 62 -12.031 6.361 8.365 418 H GLU 63 HN GLU 63 -11.967 3.766 5.737 419 HA GLU 63 HA GLU 63 -14.660 3.240 5.875 420 1HB GLU 63 HB2 GLU 63 -14.532 5.751 4.930 421 2HB GLU 63 HB1 GLU 63 -13.814 5.032 3.475 422 1HG GLU 63 HG2 GLU 63 -16.222 5.429 3.137 423 2HG GLU 63 HG1 GLU 63 -15.968 3.654 3.168 424 H LYS 64 HN LYS 64 -14.554 2.828 2.979 425 HA LYS 64 HA LYS 64 -12.299 0.956 2.759 426 1HB LYS 64 HB2 LYS 64 -14.736 -0.063 3.077 427 2HB LYS 64 HB1 LYS 64 -15.017 0.482 1.403 428 1HG LYS 64 HG2 LYS 64 -12.799 -0.932 0.869 429 2HG LYS 64 HG1 LYS 64 -13.022 -1.586 2.519 430 1HD LYS 64 HD2 LYS 64 -15.340 -2.380 1.855 431 2HD LYS 64 HD1 LYS 64 -15.082 -1.696 0.217 432 1HE LYS 64 HE2 LYS 64 -14.675 -4.082 0.062 433 2HE LYS 64 HE1 LYS 64 -13.066 -3.264 -0.061 434 1HZ LYS 64 HZ1 LYS 64 -13.065 -5.190 1.395 435 2HZ LYS 64 HZ2 LYS 64 -14.226 -4.465 2.398 436 3HZ LYS 64 HZ3 LYS 64 -12.687 -3.768 2.244 437 H CYS 65 HN CYS 65 -13.512 0.623 -0.027 438 HA CYS 65 HA CYS 65 -11.739 2.521 -1.164 439 1HB CYS 65 HB2 CYS 65 -11.909 0.095 -1.902 440 2HB CYS 65 HB1 CYS 65 -13.520 0.459 -2.580 441 H HIS 66 HN HIS 66 -12.189 4.111 -2.784 442 HA HIS 66 HA HIS 66 -14.839 4.570 -3.565 443 1HB HIS 66 HB2 HIS 66 -14.816 7.030 -2.923 444 2HB HIS 66 HB1 HIS 66 -15.029 5.949 -1.510 445 HD1 HIS 66 HD1 HIS 66 -12.560 5.406 -0.248 446 HD2 HIS 66 HD2 HIS 66 -12.937 8.961 -2.449 447 HE1 HIS 66 HE1 HIS 66 -10.759 6.992 0.568 448 HE2 HIS 66 HE2 HIS 66 -11.026 9.126 -0.771 449 H SER 67 HN SER 67 -14.462 6.410 -5.340 450 HA SER 67 HA SER 67 -12.389 5.460 -6.889 451 1HB SER 67 HB2 SER 67 -14.127 7.963 -7.308 452 2HB SER 67 HB1 SER 67 -13.349 6.953 -8.587 453 HG SER 67 HG SER 67 -15.517 6.414 -8.348 454 1HN NH2 68 H1 NH2 68 -9.984 7.795 -5.301 455 2HN NH2 68 H2 NH2 68 -10.827 6.299 -4.916 Start of MODEL 32 1 1H VAL 1 HT1 VAL 1 5.182 12.835 6.333 2 2H VAL 1 HT2 VAL 1 6.764 12.867 5.708 3 3H VAL 1 HT3 VAL 1 6.438 12.058 7.170 4 HA VAL 1 HA VAL 1 5.365 11.345 4.534 5 HB VAL 1 HB VAL 1 6.794 9.292 4.694 6 1HG1 VAL 1 HG11 VAL 1 8.416 11.913 4.912 7 2HG1 VAL 1 HG12 VAL 1 7.595 11.286 3.431 8 3HG1 VAL 1 HG13 VAL 1 8.947 10.360 4.168 9 1HG2 VAL 1 HG21 VAL 1 8.625 9.162 6.388 10 2HG2 VAL 1 HG22 VAL 1 7.009 9.084 7.163 11 3HG2 VAL 1 HG23 VAL 1 7.972 10.606 7.238 12 H ARG 2 HN ARG 2 4.443 9.031 4.581 13 HA ARG 2 HA ARG 2 3.147 8.492 7.197 14 1HB ARG 2 HB2 ARG 2 2.533 7.075 4.520 15 2HB ARG 2 HB1 ARG 2 1.702 6.875 6.097 16 1HG ARG 2 HG2 ARG 2 0.176 8.089 4.975 17 2HG ARG 2 HG1 ARG 2 1.030 9.431 5.803 18 1HD ARG 2 HD2 ARG 2 2.020 10.198 3.731 19 2HD ARG 2 HD1 ARG 2 1.925 8.559 2.988 20 HE ARG 2 HE ARG 2 -0.210 9.003 2.217 21 1HH1 ARG 2 HH11 ARG 2 0.461 11.404 4.806 22 2HH1 ARG 2 HH12 ARG 2 -0.910 12.380 4.404 23 1HH2 ARG 2 HH21 ARG 2 -1.957 10.357 1.679 24 2HH2 ARG 2 HH22 ARG 2 -2.306 11.784 2.600 25 H ASP 3 HN ASP 3 3.314 6.123 7.871 26 HA ASP 3 HA ASP 3 5.073 4.525 6.224 27 1HB ASP 3 HB2 ASP 3 4.924 4.385 9.336 28 2HB ASP 3 HB1 ASP 3 5.822 3.256 8.256 29 H GLY 4 HN GLY 4 3.464 2.852 5.577 30 1HA GLY 4 HA2 GLY 4 1.322 2.420 7.353 31 2HA GLY 4 HA1 GLY 4 0.906 3.482 5.926 32 H TYR 5 HN TYR 5 -0.341 1.122 5.939 33 HA TYR 5 HA TYR 5 1.087 -0.695 4.186 34 1HB TYR 5 HB2 TYR 5 -1.818 -0.461 5.223 35 2HB TYR 5 HB1 TYR 5 -1.404 -1.555 3.860 36 HD1 TYR 5 HD1 TYR 5 0.415 -3.323 4.226 37 HD2 TYR 5 HD2 TYR 5 -1.447 -1.188 7.463 38 HE1 TYR 5 HE1 TYR 5 0.997 -5.147 5.766 39 HE2 TYR 5 HE2 TYR 5 -0.904 -3.033 8.999 40 HH TYR 5 HH TYR 5 -0.579 -5.796 8.418 41 H ILE 6 HN ILE 6 0.880 -0.499 1.904 42 HA ILE 6 HA ILE 6 -0.201 2.098 1.105 43 HB ILE 6 HB ILE 6 2.145 1.768 0.534 44 1HG1 ILE 6 HG12 ILE 6 0.160 2.048 -1.810 45 2HG1 ILE 6 HG11 ILE 6 0.781 3.340 -0.724 46 1HG2 ILE 6 HG21 ILE 6 1.138 -0.507 -1.288 47 2HG2 ILE 6 HG22 ILE 6 2.196 -0.660 0.170 48 3HG2 ILE 6 HG23 ILE 6 2.798 0.183 -1.277 49 1HD1 ILE 6 HD11 ILE 6 2.313 1.745 -2.864 50 2HD1 ILE 6 HD12 ILE 6 3.143 2.802 -1.660 51 3HD1 ILE 6 HD13 ILE 6 1.964 3.513 -2.818 52 H ALA 7 HN ALA 7 -1.673 2.245 -0.494 53 HA ALA 7 HA ALA 7 -3.299 -0.110 -0.926 54 1HB ALA 7 HB1 ALA 7 -4.525 1.731 0.307 55 2HB ALA 7 HB2 ALA 7 -5.200 1.540 -1.309 56 3HB ALA 7 HB3 ALA 7 -4.061 2.892 -0.986 57 H GLN 8 HN GLN 8 -4.664 1.940 -2.911 58 HA GLN 8 HA GLN 8 -2.628 2.270 -4.875 59 1HB GLN 8 HB2 GLN 8 -5.507 1.195 -5.389 60 2HB GLN 8 HB1 GLN 8 -4.386 1.735 -6.675 61 1HG GLN 8 HG2 GLN 8 -2.915 -0.168 -6.330 62 2HG GLN 8 HG1 GLN 8 -3.717 -0.617 -4.783 63 1HE2 GLN 8 HE22 GLN 8 -5.361 -2.153 -4.916 64 2HE2 GLN 8 HE21 GLN 8 -6.254 -2.521 -6.370 65 HA PRO 9 HA PRO 9 -5.117 5.851 -3.812 66 1HB PRO 9 HB2 PRO 9 -4.952 7.466 -6.119 67 2HB PRO 9 HB1 PRO 9 -3.581 7.260 -4.962 68 1HG PRO 9 HG1 PRO 9 -4.072 5.747 -7.582 69 2HG PRO 9 HG2 PRO 9 -2.536 6.528 -7.018 70 1HD PRO 9 HD1 PRO 9 -3.046 3.816 -6.710 71 2HD PRO 9 HD2 PRO 9 -2.146 4.739 -5.421 72 H GLU 10 HN GLU 10 -8.381 5.403 -5.272 73 HA GLU 10 HA GLU 10 -6.782 7.480 -4.006 74 1HB GLU 10 HB2 GLU 10 -9.768 6.942 -4.094 75 2HB GLU 10 HB1 GLU 10 -8.972 8.368 -3.314 76 1HG GLU 10 HG2 GLU 10 -7.998 8.960 -5.615 77 2HG GLU 10 HG1 GLU 10 -8.996 7.636 -6.321 78 H ASN 11 HN ASN 11 -8.593 4.411 -3.212 79 HA ASN 11 HA ASN 11 -7.304 4.283 -0.778 80 1HB ASN 11 HB2 ASN 11 -9.452 5.574 -0.061 81 2HB ASN 11 HB1 ASN 11 -10.425 4.306 -0.895 82 1HD2 ASN 11 HD22 ASN 11 -11.405 4.033 1.314 83 2HD2 ASN 11 HD21 ASN 11 -10.488 3.337 2.631 84 H CYS 12 HN CYS 12 -7.463 2.022 -0.473 85 HA CYS 12 HA CYS 12 -8.889 0.141 -1.760 86 1HB CYS 12 HB2 CYS 12 -7.129 1.320 -3.759 87 2HB CYS 12 HB1 CYS 12 -6.305 -0.031 -3.253 88 H VAL 13 HN VAL 13 -6.639 -1.781 -2.129 89 HA VAL 13 HA VAL 13 -4.782 -1.153 -0.116 90 HB VAL 13 HB VAL 13 -4.399 -3.532 0.438 91 1HG1 VAL 13 HG11 VAL 13 -6.347 -3.844 2.043 92 2HG1 VAL 13 HG12 VAL 13 -7.102 -2.357 1.343 93 3HG1 VAL 13 HG13 VAL 13 -5.510 -2.270 2.170 94 1HG2 VAL 13 HG21 VAL 13 -7.119 -4.034 -0.929 95 2HG2 VAL 13 HG22 VAL 13 -6.155 -5.216 0.056 96 3HG2 VAL 13 HG23 VAL 13 -5.498 -4.621 -1.481 97 H TYR 14 HN TYR 14 -2.761 -2.473 -1.130 98 HA TYR 14 HA TYR 14 -3.197 -2.788 -4.011 99 1HB TYR 14 HB2 TYR 14 -0.812 -2.130 -2.397 100 2HB TYR 14 HB1 TYR 14 -0.529 -3.710 -3.211 101 HD1 TYR 14 HD1 TYR 14 -1.891 -3.350 -5.860 102 HD2 TYR 14 HD2 TYR 14 0.532 -0.622 -3.563 103 HE1 TYR 14 HE1 TYR 14 -1.231 -2.197 -7.920 104 HE2 TYR 14 HE2 TYR 14 1.223 0.500 -5.626 105 HH TYR 14 HH TYR 14 1.202 0.405 -7.952 106 H HIS 15 HN HIS 15 -2.337 -5.309 -4.645 107 HA HIS 15 HA HIS 15 -3.400 -6.960 -2.473 108 1HB HIS 15 HB2 HIS 15 -3.802 -7.271 -5.509 109 2HB HIS 15 HB1 HIS 15 -3.906 -8.632 -4.331 110 HD1 HIS 15 HD1 HIS 15 -6.416 -9.019 -4.648 111 HD2 HIS 15 HD2 HIS 15 -5.524 -5.131 -3.352 112 HE1 HIS 15 HE1 HIS 15 -8.591 -7.956 -3.910 113 HE2 HIS 15 HE2 HIS 15 -8.007 -5.612 -3.128 114 H CYS 16 HN CYS 16 -2.013 -8.931 -2.370 115 HA CYS 16 HA CYS 16 0.432 -8.846 -3.637 116 1HB CYS 16 HB2 CYS 16 0.789 -6.887 -1.995 117 2HB CYS 16 HB1 CYS 16 0.294 -7.959 -0.660 118 H PHE 17 HN PHE 17 1.532 -10.566 -1.638 119 HA PHE 17 HA PHE 17 -0.426 -12.669 -1.665 120 1HB PHE 17 HB2 PHE 17 2.473 -12.853 -2.801 121 2HB PHE 17 HB1 PHE 17 1.085 -13.941 -3.142 122 HD1 PHE 17 HD1 PHE 17 2.996 -11.032 -4.225 123 HD2 PHE 17 HD2 PHE 17 -0.920 -12.821 -4.502 124 HE1 PHE 17 HE1 PHE 17 2.485 -9.644 -6.185 125 HE2 PHE 17 HE2 PHE 17 -1.420 -11.407 -6.451 126 HZ PHE 17 HZ PHE 17 0.271 -9.797 -7.289 127 HA PRO 18 HA PRO 18 2.294 -13.233 1.955 128 1HB PRO 18 HB2 PRO 18 2.733 -16.109 0.929 129 2HB PRO 18 HB1 PRO 18 2.397 -15.583 2.624 130 1HG PRO 18 HG1 PRO 18 0.394 -16.622 1.081 131 2HG PRO 18 HG2 PRO 18 0.063 -15.129 2.057 132 1HD PRO 18 HD1 PRO 18 0.716 -15.328 -0.938 133 2HD PRO 18 HD2 PRO 18 -0.511 -14.286 -0.078 134 H GLY 19 HN GLY 19 3.694 -12.108 -0.326 135 1HA GLY 19 HA2 GLY 19 6.348 -12.613 0.313 136 2HA GLY 19 HA1 GLY 19 5.869 -13.486 -1.226 137 H SER 20 HN SER 20 7.203 -10.550 -0.293 138 HA SER 20 HA SER 20 5.398 -8.811 -1.571 139 1HB SER 20 HB2 SER 20 7.663 -7.379 -0.708 140 2HB SER 20 HB1 SER 20 6.231 -7.786 0.292 141 HG SER 20 HG SER 20 8.393 -8.406 1.093 142 H SER 21 HN SER 21 6.668 -10.828 -3.357 143 HA SER 21 HA SER 21 8.904 -10.087 -4.546 144 1HB SER 21 HB2 SER 21 6.533 -11.328 -6.045 145 2HB SER 21 HB1 SER 21 8.294 -11.676 -6.251 146 HG SER 21 HG SER 21 7.339 -13.270 -5.006 147 H GLY 22 HN GLY 22 5.601 -9.019 -5.419 148 1HA GLY 22 HA2 GLY 22 6.653 -7.347 -7.561 149 2HA GLY 22 HA1 GLY 22 4.937 -7.616 -7.074 150 H CYS 23 HN CYS 23 5.509 -7.155 -4.232 151 HA CYS 23 HA CYS 23 4.658 -4.502 -4.206 152 1HB CYS 23 HB2 CYS 23 3.916 -6.030 -2.504 153 2HB CYS 23 HB1 CYS 23 5.599 -6.395 -2.023 154 H ASP 24 HN ASP 24 7.873 -5.928 -3.583 155 HA ASP 24 HA ASP 24 9.159 -3.720 -2.595 156 1HB ASP 24 HB2 ASP 24 10.128 -6.066 -2.880 157 2HB ASP 24 HB1 ASP 24 10.347 -5.720 -4.626 158 H THR 25 HN THR 25 8.856 -4.611 -6.132 159 HA THR 25 HA THR 25 9.930 -2.240 -7.074 160 HB THR 25 HB THR 25 8.300 -3.145 -9.117 161 HG1 THR 25 HG1 THR 25 7.494 -4.832 -7.646 162 1HG2 THR 25 HG21 THR 25 10.786 -2.852 -9.156 163 2HG2 THR 25 HG22 THR 25 10.319 -4.465 -9.812 164 3HG2 THR 25 HG23 THR 25 10.992 -4.331 -8.142 165 H LEU 26 HN LEU 26 6.534 -3.097 -6.202 166 HA LEU 26 HA LEU 26 5.389 -0.868 -7.510 167 1HB LEU 26 HB2 LEU 26 4.421 -2.383 -5.005 168 2HB LEU 26 HB1 LEU 26 3.449 -1.182 -5.909 169 HG LEU 26 HG LEU 26 4.450 -3.848 -7.045 170 1HD1 LEU 26 HD11 LEU 26 2.104 -4.601 -6.833 171 2HD1 LEU 26 HD12 LEU 26 1.637 -3.022 -6.109 172 3HD1 LEU 26 HD13 LEU 26 2.751 -4.119 -5.225 173 1HD2 LEU 26 HD21 LEU 26 2.551 -1.770 -8.285 174 2HD2 LEU 26 HD22 LEU 26 2.899 -3.410 -8.941 175 3HD2 LEU 26 HD23 LEU 26 4.209 -2.183 -8.863 176 H CYS 27 HN CYS 27 6.616 -1.461 -4.206 177 HA CYS 27 HA CYS 27 5.841 0.951 -3.130 178 1HB CYS 27 HB2 CYS 27 6.793 -1.123 -1.926 179 2HB CYS 27 HB1 CYS 27 8.428 -0.583 -2.416 180 H LYS 28 HN LYS 28 8.827 0.129 -4.915 181 HA LYS 28 HA LYS 28 10.126 2.573 -4.561 182 1HB LYS 28 HB2 LYS 28 10.241 0.595 -6.917 183 2HB LYS 28 HB1 LYS 28 11.355 1.994 -6.739 184 1HG LYS 28 HG2 LYS 28 11.124 -0.269 -4.658 185 2HG LYS 28 HG1 LYS 28 12.281 -0.254 -6.028 186 1HD LYS 28 HD2 LYS 28 13.193 1.963 -5.150 187 2HD LYS 28 HD1 LYS 28 12.146 1.754 -3.698 188 1HE LYS 28 HE2 LYS 28 13.312 -0.433 -3.191 189 2HE LYS 28 HE1 LYS 28 14.386 -0.180 -4.628 190 1HZ LYS 28 HZ1 LYS 28 15.139 1.883 -3.593 191 2HZ LYS 28 HZ2 LYS 28 15.445 0.521 -2.623 192 3HZ LYS 28 HZ3 LYS 28 14.162 1.566 -2.237 193 H GLU 29 HN GLU 29 7.838 1.513 -7.202 194 HA GLU 29 HA GLU 29 8.274 3.937 -8.595 195 1HB GLU 29 HB2 GLU 29 6.426 3.369 -10.068 196 2HB GLU 29 HB1 GLU 29 7.523 1.970 -9.840 197 1HG GLU 29 HG2 GLU 29 5.932 0.916 -8.304 198 2HG GLU 29 HG1 GLU 29 4.826 2.338 -8.357 199 H LYS 30 HN LYS 30 6.258 3.242 -5.859 200 HA LYS 30 HA LYS 30 4.619 5.624 -6.355 201 1HB LYS 30 HB2 LYS 30 4.551 3.561 -4.082 202 2HB LYS 30 HB1 LYS 30 3.412 4.938 -4.266 203 1HG LYS 30 HG2 LYS 30 3.736 2.590 -6.251 204 2HG LYS 30 HG1 LYS 30 2.431 2.784 -5.039 205 1HD LYS 30 HD2 LYS 30 1.722 4.921 -6.203 206 2HD LYS 30 HD1 LYS 30 2.963 4.593 -7.475 207 1HE LYS 30 HE2 LYS 30 1.841 2.412 -8.022 208 2HE LYS 30 HE1 LYS 30 0.584 2.742 -6.761 209 1HZ LYS 30 HZ1 LYS 30 -0.147 3.313 -8.964 210 2HZ LYS 30 HZ2 LYS 30 1.134 4.409 -9.162 211 3HZ LYS 30 HZ3 LYS 30 -0.056 4.702 -7.988 212 H GLY 31 HN GLY 31 7.648 4.899 -5.078 213 1HA GLY 31 HA2 GLY 31 9.069 6.405 -4.303 214 2HA GLY 31 HA1 GLY 31 7.718 7.556 -3.970 215 H GLY 32 HN GLY 32 7.807 4.169 -2.785 216 1HA GLY 32 HA2 GLY 32 8.293 5.191 -0.074 217 2HA GLY 32 HA1 GLY 32 7.573 3.608 -0.581 218 H THR 33 HN THR 33 9.887 3.893 1.180 219 HA THR 33 HA THR 33 12.234 3.852 -0.333 220 HB THR 33 HB THR 33 12.048 2.598 2.461 221 HG1 THR 33 HG1 THR 33 10.866 4.343 2.750 222 1HG2 THR 33 HG21 THR 33 14.251 3.745 2.696 223 2HG2 THR 33 HG22 THR 33 14.083 4.479 1.059 224 3HG2 THR 33 HG23 THR 33 14.278 2.694 1.235 225 H SER 34 HN SER 34 10.529 1.187 1.489 226 HA SER 34 HA SER 34 10.655 -0.524 -0.625 227 1HB SER 34 HB2 SER 34 12.561 -1.220 1.734 228 2HB SER 34 HB1 SER 34 11.969 -2.422 0.520 229 HG SER 34 HG SER 34 13.059 -0.083 -0.503 230 H GLY 35 HN GLY 35 9.905 -2.821 1.060 231 1HA GLY 35 HA2 GLY 35 8.431 -1.988 3.214 232 2HA GLY 35 HA1 GLY 35 7.427 -2.036 1.680 233 H HIS 36 HN HIS 36 6.330 -4.073 2.380 234 HA HIS 36 HA HIS 36 7.653 -6.430 1.897 235 1HB HIS 36 HB2 HIS 36 7.282 -7.446 4.222 236 2HB HIS 36 HB1 HIS 36 8.600 -6.240 4.203 237 HD1 HIS 36 HD1 HIS 36 5.091 -6.705 5.522 238 HD2 HIS 36 HD2 HIS 36 8.197 -3.888 5.700 239 HE1 HIS 36 HE1 HIS 36 4.483 -5.026 7.321 240 HE2 HIS 36 HE2 HIS 36 6.376 -3.340 7.389 241 H CYS 37 HN CYS 37 5.393 -7.919 3.195 242 HA CYS 37 HA CYS 37 3.110 -6.231 2.546 243 1HB CYS 37 HB2 CYS 37 3.536 -9.111 1.516 244 2HB CYS 37 HB1 CYS 37 1.934 -8.301 1.622 245 H GLY 38 HN GLY 38 1.115 -7.305 3.652 246 1HA GLY 38 HA2 GLY 38 1.347 -9.155 5.583 247 2HA GLY 38 HA1 GLY 38 1.671 -7.480 6.282 248 H PHE 39 HN PHE 39 -0.825 -7.828 7.123 249 HA PHE 39 HA PHE 39 -2.582 -6.882 5.055 250 1HB PHE 39 HB2 PHE 39 -2.744 -9.500 5.223 251 2HB PHE 39 HB1 PHE 39 -3.115 -9.297 6.961 252 HD1 PHE 39 HD1 PHE 39 -4.712 -6.941 4.467 253 HD2 PHE 39 HD2 PHE 39 -5.056 -10.679 6.581 254 HE1 PHE 39 HE1 PHE 39 -7.071 -7.049 3.888 255 HE2 PHE 39 HE2 PHE 39 -7.453 -10.771 5.995 256 HZ PHE 39 HZ PHE 39 -8.472 -8.969 4.626 257 H LYS 40 HN LYS 40 -4.492 -5.874 6.400 258 HA LYS 40 HA LYS 40 -4.330 -6.059 9.168 259 1HB LYS 40 HB2 LYS 40 -4.889 -3.622 9.536 260 2HB LYS 40 HB1 LYS 40 -3.187 -3.875 9.073 261 1HG LYS 40 HG2 LYS 40 -3.778 -1.951 7.923 262 2HG LYS 40 HG1 LYS 40 -3.778 -3.230 6.670 263 1HD LYS 40 HD2 LYS 40 -5.592 -1.603 6.335 264 2HD LYS 40 HD1 LYS 40 -6.291 -3.210 6.675 265 1HE LYS 40 HE2 LYS 40 -6.680 -2.468 9.106 266 2HE LYS 40 HE1 LYS 40 -6.081 -0.822 8.638 267 1HZ LYS 40 HZ1 LYS 40 -8.412 -2.275 7.500 268 2HZ LYS 40 HZ2 LYS 40 -7.865 -0.742 6.995 269 3HZ LYS 40 HZ3 LYS 40 -8.452 -0.961 8.572 270 H VAL 41 HN VAL 41 -6.809 -5.789 9.608 271 HA VAL 41 HA VAL 41 -7.881 -7.153 7.381 272 HB VAL 41 HB VAL 41 -9.413 -6.271 9.866 273 1HG1 VAL 41 HG11 VAL 41 -9.758 -8.591 7.827 274 2HG1 VAL 41 HG12 VAL 41 -10.830 -7.148 7.990 275 3HG1 VAL 41 HG13 VAL 41 -10.739 -8.351 9.319 276 1HG2 VAL 41 HG21 VAL 41 -8.729 -8.561 10.752 277 2HG2 VAL 41 HG22 VAL 41 -7.353 -7.423 10.633 278 3HG2 VAL 41 HG23 VAL 41 -7.563 -8.713 9.389 279 H GLY 42 HN GLY 42 -9.129 -6.343 5.694 280 1HA GLY 42 HA2 GLY 42 -10.916 -4.250 6.050 281 2HA GLY 42 HA1 GLY 42 -9.383 -3.649 5.267 282 H HIS 43 HN HIS 43 -8.556 -4.936 3.412 283 HA HIS 43 HA HIS 43 -10.854 -5.851 1.810 284 1HB HIS 43 HB2 HIS 43 -8.179 -4.621 1.017 285 2HB HIS 43 HB1 HIS 43 -9.425 -5.147 -0.160 286 HD1 HIS 43 HD1 HIS 43 -8.599 -2.332 -0.355 287 HD2 HIS 43 HD2 HIS 43 -11.520 -3.432 2.447 288 HE1 HIS 43 HE1 HIS 43 -9.777 -0.219 0.354 289 HE2 HIS 43 HE2 HIS 43 -11.578 -0.927 2.005 290 H GLY 44 HN GLY 44 -7.556 -6.456 0.654 291 1HA GLY 44 HA2 GLY 44 -7.631 -9.209 1.543 292 2HA GLY 44 HA1 GLY 44 -7.875 -8.820 -0.217 293 H LEU 45 HN LEU 45 -5.688 -8.912 2.472 294 HA LEU 45 HA LEU 45 -3.704 -8.520 2.896 295 1HB LEU 45 HB2 LEU 45 -3.375 -9.871 0.503 296 2HB LEU 45 HB1 LEU 45 -2.269 -8.484 0.348 297 HG LEU 45 HG LEU 45 -1.747 -9.219 2.963 298 1HD1 LEU 45 HD11 LEU 45 -2.422 -11.888 1.555 299 2HD1 LEU 45 HD12 LEU 45 -3.319 -11.166 2.942 300 3HD1 LEU 45 HD13 LEU 45 -1.611 -11.700 3.148 301 1HD2 LEU 45 HD21 LEU 45 -0.056 -8.875 1.219 302 2HD2 LEU 45 HD22 LEU 45 -0.407 -10.508 0.539 303 3HD2 LEU 45 HD23 LEU 45 0.286 -10.349 2.191 304 H ALA 46 HN ALA 46 -1.511 -6.852 1.705 305 HA ALA 46 HA ALA 46 -2.611 -4.632 0.565 306 1HB ALA 46 HB1 ALA 46 -3.349 -3.918 2.834 307 2HB ALA 46 HB2 ALA 46 -1.959 -2.929 2.278 308 3HB ALA 46 HB3 ALA 46 -1.703 -4.271 3.484 309 H CYS 47 HN CYS 47 -0.272 -3.007 0.820 310 HA CYS 47 HA CYS 47 1.931 -4.951 0.742 311 1HB CYS 47 HB2 CYS 47 1.582 -4.503 -1.631 312 2HB CYS 47 HB1 CYS 47 1.089 -2.825 -1.291 313 H TRP 48 HN TRP 48 3.867 -3.695 1.781 314 HA TRP 48 HA TRP 48 2.799 -1.398 3.321 315 1HB TRP 48 HB2 TRP 48 3.647 -3.263 4.771 316 2HB TRP 48 HB1 TRP 48 5.213 -3.201 3.914 317 HD1 TRP 48 HD1 TRP 48 6.936 -1.170 4.687 318 HE1 TRP 48 HE1 TRP 48 6.957 0.388 6.774 319 HE3 TRP 48 HE3 TRP 48 2.219 -2.074 6.387 320 HZ2 TRP 48 HZ2 TRP 48 5.187 1.111 8.841 321 HZ3 TRP 48 HZ3 TRP 48 1.436 -0.947 8.441 322 HH2 TRP 48 HH2 TRP 48 2.903 0.630 9.655 323 H CYS 49 HN CYS 49 4.291 0.513 3.437 324 HA CYS 49 HA CYS 49 6.659 0.307 1.847 325 1HB CYS 49 HB2 CYS 49 4.427 2.380 1.412 326 2HB CYS 49 HB1 CYS 49 6.147 2.848 1.185 327 H ASN 50 HN ASN 50 8.239 1.514 2.921 328 HA ASN 50 HA ASN 50 7.259 2.794 5.382 329 1HB ASN 50 HB2 ASN 50 9.177 0.794 5.223 330 2HB ASN 50 HB1 ASN 50 10.237 2.232 5.060 331 1HD2 ASN 50 HD22 ASN 50 10.611 3.438 7.047 332 2HD2 ASN 50 HD21 ASN 50 9.785 3.129 8.540 333 H ALA 51 HN ALA 51 7.277 4.939 5.311 334 HA ALA 51 HA ALA 51 7.722 6.973 4.928 335 1HB ALA 51 HB1 ALA 51 10.334 6.243 3.537 336 2HB ALA 51 HB2 ALA 51 10.144 6.532 5.303 337 3HB ALA 51 HB3 ALA 51 9.832 7.863 4.116 338 H LEU 52 HN LEU 52 5.820 7.004 3.645 339 HA LEU 52 HA LEU 52 6.432 7.290 0.761 340 1HB LEU 52 HB2 LEU 52 3.781 6.772 2.219 341 2HB LEU 52 HB1 LEU 52 3.815 7.500 0.578 342 HG LEU 52 HG LEU 52 5.199 4.857 1.207 343 1HD1 LEU 52 HD11 LEU 52 2.811 4.570 1.770 344 2HD1 LEU 52 HD12 LEU 52 3.200 3.710 0.240 345 3HD1 LEU 52 HD13 LEU 52 2.320 5.280 0.176 346 1HD2 LEU 52 HD21 LEU 52 5.884 6.079 -0.918 347 2HD2 LEU 52 HD22 LEU 52 4.198 5.988 -1.498 348 3HD2 LEU 52 HD23 LEU 52 5.138 4.484 -1.233 349 HA PRO 53 HA PRO 53 5.728 11.506 2.192 350 1HB PRO 53 HB2 PRO 53 5.628 12.807 -0.328 351 2HB PRO 53 HB1 PRO 53 7.137 12.403 0.569 352 1HG PRO 53 HG1 PRO 53 6.030 11.085 -1.884 353 2HG PRO 53 HG2 PRO 53 7.705 11.062 -1.211 354 1HD PRO 53 HD1 PRO 53 5.555 9.054 -0.943 355 2HD PRO 53 HD2 PRO 53 7.253 8.952 -0.322 356 H ASP 54 HN ASP 54 4.049 13.276 1.715 357 HA ASP 54 HA ASP 54 1.686 11.873 2.240 358 1HB ASP 54 HB2 ASP 54 2.220 14.876 2.012 359 2HB ASP 54 HB1 ASP 54 0.797 14.121 2.850 360 H ASN 55 HN ASN 55 2.753 12.506 -0.789 361 HA ASN 55 HA ASN 55 0.257 13.564 -1.852 362 1HB ASN 55 HB2 ASN 55 1.410 13.434 -4.069 363 2HB ASN 55 HB1 ASN 55 2.346 14.405 -2.884 364 1HD2 ASN 55 HD22 ASN 55 2.698 11.929 -5.208 365 2HD2 ASN 55 HD21 ASN 55 4.197 11.266 -4.638 366 H VAL 56 HN VAL 56 1.426 10.591 -0.760 367 HA VAL 56 HA VAL 56 0.238 9.066 -2.957 368 HB VAL 56 HB VAL 56 1.754 8.013 -0.509 369 1HG1 VAL 56 HG11 VAL 56 0.425 6.354 -1.860 370 2HG1 VAL 56 HG12 VAL 56 2.182 6.084 -2.088 371 3HG1 VAL 56 HG13 VAL 56 1.239 6.914 -3.370 372 1HG2 VAL 56 HG21 VAL 56 3.822 8.074 -1.965 373 2HG2 VAL 56 HG22 VAL 56 3.250 9.699 -1.532 374 3HG2 VAL 56 HG23 VAL 56 2.922 9.068 -3.174 375 H GLY 57 HN GLY 57 -1.687 7.762 -2.465 376 1HA GLY 57 HA2 GLY 57 -2.835 8.387 0.174 377 2HA GLY 57 HA1 GLY 57 -3.734 7.996 -1.367 378 H ILE 58 HN ILE 58 -3.789 6.484 1.249 379 HA ILE 58 HA ILE 58 -2.565 3.996 0.385 380 HB ILE 58 HB ILE 58 -1.655 3.644 2.649 381 1HG1 ILE 58 HG12 ILE 58 -2.257 6.642 3.119 382 2HG1 ILE 58 HG11 ILE 58 -3.077 5.267 3.941 383 1HG2 ILE 58 HG21 ILE 58 -0.349 4.594 0.614 384 2HG2 ILE 58 HG22 ILE 58 0.395 4.878 2.225 385 3HG2 ILE 58 HG23 ILE 58 -0.482 6.211 1.390 386 1HD1 ILE 58 HD11 ILE 58 -0.081 5.991 4.126 387 2HD1 ILE 58 HD12 ILE 58 -0.838 4.525 4.859 388 3HD1 ILE 58 HD13 ILE 58 -1.330 6.171 5.413 389 H ILE 59 HN ILE 59 -3.323 2.760 3.025 390 HA ILE 59 HA ILE 59 -6.032 2.361 2.286 391 HB ILE 59 HB ILE 59 -5.201 1.523 5.071 392 1HG1 ILE 59 HG12 ILE 59 -3.179 0.841 4.043 393 2HG1 ILE 59 HG11 ILE 59 -4.237 -0.575 4.329 394 1HG2 ILE 59 HG21 ILE 59 -6.625 -0.433 4.402 395 2HG2 ILE 59 HG22 ILE 59 -6.829 0.270 2.751 396 3HG2 ILE 59 HG23 ILE 59 -7.484 1.132 4.187 397 1HD1 ILE 59 HD11 ILE 59 -3.424 0.692 1.685 398 2HD1 ILE 59 HD12 ILE 59 -4.944 -0.269 1.787 399 3HD1 ILE 59 HD13 ILE 59 -3.351 -1.029 2.179 400 H VAL 60 HN VAL 60 -7.761 3.471 3.002 401 HA VAL 60 HA VAL 60 -7.436 5.257 5.335 402 HB VAL 60 HB VAL 60 -8.982 5.554 2.700 403 1HG1 VAL 60 HG11 VAL 60 -9.063 7.334 5.210 404 2HG1 VAL 60 HG12 VAL 60 -10.428 6.352 4.523 405 3HG1 VAL 60 HG13 VAL 60 -9.764 7.739 3.588 406 1HG2 VAL 60 HG21 VAL 60 -7.545 7.586 2.411 407 2HG2 VAL 60 HG22 VAL 60 -6.547 6.103 2.541 408 3HG2 VAL 60 HG23 VAL 60 -6.694 7.212 3.958 409 H GLU 61 HN GLU 61 -8.607 4.259 6.992 410 HA GLU 61 HA GLU 61 -9.954 2.964 8.048 411 1HB GLU 61 HB2 GLU 61 -11.650 4.580 6.878 412 2HB GLU 61 HB1 GLU 61 -11.968 3.281 5.762 413 1HG GLU 61 HG2 GLU 61 -13.710 3.367 7.536 414 2HG GLU 61 HG1 GLU 61 -12.783 1.840 7.742 415 H GLY 62 HN GLY 62 -11.967 1.260 6.129 416 1HA GLY 62 HA2 GLY 62 -10.218 -0.185 4.445 417 2HA GLY 62 HA1 GLY 62 -10.900 -1.147 5.850 418 H GLU 63 HN GLU 63 -12.091 1.678 4.012 419 HA GLU 63 HA GLU 63 -14.746 0.815 4.475 420 1HB GLU 63 HB2 GLU 63 -14.032 3.223 4.535 421 2HB GLU 63 HB1 GLU 63 -13.671 3.157 2.781 422 1HG GLU 63 HG2 GLU 63 -16.133 2.681 2.332 423 2HG GLU 63 HG1 GLU 63 -16.447 2.801 4.104 424 H LYS 64 HN LYS 64 -12.868 1.437 1.429 425 HA LYS 64 HA LYS 64 -14.125 -0.650 0.090 426 1HB LYS 64 HB2 LYS 64 -15.964 1.376 0.139 427 2HB LYS 64 HB1 LYS 64 -14.902 2.095 -1.092 428 1HG LYS 64 HG2 LYS 64 -16.704 0.954 -2.227 429 2HG LYS 64 HG1 LYS 64 -15.249 -0.042 -2.494 430 1HD LYS 64 HD2 LYS 64 -17.036 -1.563 -2.064 431 2HD LYS 64 HD1 LYS 64 -15.993 -1.590 -0.610 432 1HE LYS 64 HE2 LYS 64 -18.395 -1.635 0.014 433 2HE LYS 64 HE1 LYS 64 -17.641 -0.102 0.601 434 1HZ LYS 64 HZ1 LYS 64 -19.776 0.263 -0.402 435 2HZ LYS 64 HZ2 LYS 64 -19.273 -0.432 -1.866 436 3HZ LYS 64 HZ3 LYS 64 -18.563 1.013 -1.322 437 H CYS 65 HN CYS 65 -13.551 0.568 -2.530 438 HA CYS 65 HA CYS 65 -10.821 1.450 -2.273 439 1HB CYS 65 HB2 CYS 65 -10.695 -1.019 -2.910 440 2HB CYS 65 HB1 CYS 65 -12.000 -0.770 -4.101 441 H HIS 66 HN HIS 66 -10.510 2.924 -4.145 442 HA HIS 66 HA HIS 66 -12.506 2.865 -6.159 443 1HB HIS 66 HB2 HIS 66 -12.899 5.389 -6.192 444 2HB HIS 66 HB1 HIS 66 -13.812 4.483 -4.949 445 HD1 HIS 66 HD1 HIS 66 -12.776 7.603 -5.001 446 HD2 HIS 66 HD2 HIS 66 -11.624 4.472 -2.452 447 HE1 HIS 66 HE1 HIS 66 -11.888 8.647 -2.870 448 HE2 HIS 66 HE2 HIS 66 -11.294 6.728 -1.329 449 H SER 67 HN SER 67 -11.156 2.823 -7.927 450 HA SER 67 HA SER 67 -8.446 3.307 -7.556 451 1HB SER 67 HB2 SER 67 -9.989 2.964 -10.199 452 2HB SER 67 HB1 SER 67 -8.242 2.617 -9.905 453 HG SER 67 HG SER 67 -9.536 0.749 -9.841 454 1HN NH2 68 H1 NH2 68 -8.033 6.686 -8.548 455 2HN NH2 68 H2 NH2 68 -7.468 5.312 -7.620 Start of MODEL 33 1 1H VAL 1 HT1 VAL 1 8.216 12.475 5.306 2 2H VAL 1 HT2 VAL 1 8.172 11.747 6.844 3 3H VAL 1 HT3 VAL 1 6.798 12.541 6.243 4 HA VAL 1 HA VAL 1 6.548 10.980 4.526 5 HB VAL 1 HB VAL 1 7.901 8.857 4.492 6 1HG1 VAL 1 HG11 VAL 1 9.495 11.483 4.115 7 2HG1 VAL 1 HG12 VAL 1 8.424 10.675 2.915 8 3HG1 VAL 1 HG13 VAL 1 9.939 9.872 3.445 9 1HG2 VAL 1 HG21 VAL 1 10.067 8.743 5.719 10 2HG2 VAL 1 HG22 VAL 1 8.686 8.821 6.860 11 3HG2 VAL 1 HG23 VAL 1 9.697 10.284 6.572 12 H ARG 2 HN ARG 2 5.653 8.636 4.894 13 HA ARG 2 HA ARG 2 4.976 8.223 7.734 14 1HB ARG 2 HB2 ARG 2 2.859 7.128 7.090 15 2HB ARG 2 HB1 ARG 2 2.820 8.845 6.649 16 1HG ARG 2 HG2 ARG 2 3.636 6.747 4.563 17 2HG ARG 2 HG1 ARG 2 1.924 6.890 5.029 18 1HD ARG 2 HD2 ARG 2 3.490 9.362 4.033 19 2HD ARG 2 HD1 ARG 2 2.766 8.159 2.909 20 HE ARG 2 HE ARG 2 0.588 8.802 3.488 21 1HH1 ARG 2 HH11 ARG 2 3.005 10.686 5.337 22 2HH1 ARG 2 HH12 ARG 2 1.898 11.952 5.751 23 1HH2 ARG 2 HH21 ARG 2 -0.894 10.462 4.122 24 2HH2 ARG 2 HH22 ARG 2 -0.351 11.816 5.053 25 H ASP 3 HN ASP 3 4.341 5.718 7.956 26 HA ASP 3 HA ASP 3 5.691 4.073 6.015 27 1HB ASP 3 HB2 ASP 3 5.727 3.629 9.105 28 2HB ASP 3 HB1 ASP 3 6.387 2.503 7.856 29 H GLY 4 HN GLY 4 3.969 2.408 5.598 30 1HA GLY 4 HA2 GLY 4 1.852 2.293 7.475 31 2HA GLY 4 HA1 GLY 4 1.458 3.302 6.016 32 H TYR 5 HN TYR 5 -0.185 1.327 6.114 33 HA TYR 5 HA TYR 5 0.783 -0.968 4.622 34 1HB TYR 5 HB2 TYR 5 -1.980 -0.022 5.641 35 2HB TYR 5 HB1 TYR 5 -1.815 -1.429 4.560 36 HD1 TYR 5 HD1 TYR 5 -0.194 -3.340 5.355 37 HD2 TYR 5 HD2 TYR 5 -1.746 -0.289 7.948 38 HE1 TYR 5 HE1 TYR 5 0.185 -4.809 7.307 39 HE2 TYR 5 HE2 TYR 5 -1.421 -1.750 9.886 40 HH TYR 5 HH TYR 5 -0.869 -3.856 10.604 41 H ILE 6 HN ILE 6 0.652 -0.877 2.305 42 HA ILE 6 HA ILE 6 -0.231 1.746 1.334 43 HB ILE 6 HB ILE 6 2.062 1.201 0.843 44 1HG1 ILE 6 HG12 ILE 6 0.412 1.256 -1.734 45 2HG1 ILE 6 HG11 ILE 6 0.645 2.665 -0.651 46 1HG2 ILE 6 HG21 ILE 6 2.013 -1.221 0.723 47 2HG2 ILE 6 HG22 ILE 6 2.574 -0.610 -0.863 48 3HG2 ILE 6 HG23 ILE 6 0.886 -1.205 -0.693 49 1HD1 ILE 6 HD11 ILE 6 2.843 1.136 -2.182 50 2HD1 ILE 6 HD12 ILE 6 3.165 2.428 -0.968 51 3HD1 ILE 6 HD13 ILE 6 2.274 2.817 -2.468 52 H ALA 7 HN ALA 7 -1.527 1.961 -0.424 53 HA ALA 7 HA ALA 7 -3.575 -0.071 -0.696 54 1HB ALA 7 HB1 ALA 7 -4.412 2.045 0.465 55 2HB ALA 7 HB2 ALA 7 -5.186 1.805 -1.103 56 3HB ALA 7 HB3 ALA 7 -3.847 2.999 -0.957 57 H GLN 8 HN GLN 8 -4.841 1.408 -2.795 58 HA GLN 8 HA GLN 8 -2.924 1.727 -4.879 59 1HB GLN 8 HB2 GLN 8 -5.663 0.272 -5.102 60 2HB GLN 8 HB1 GLN 8 -4.614 0.690 -6.490 61 1HG GLN 8 HG2 GLN 8 -2.946 -0.927 -5.839 62 2HG GLN 8 HG1 GLN 8 -3.683 -1.205 -4.227 63 1HE2 GLN 8 HE22 GLN 8 -5.590 -2.575 -4.061 64 2HE2 GLN 8 HE21 GLN 8 -6.293 -3.366 -5.439 65 HA PRO 9 HA PRO 9 -5.787 5.162 -4.409 66 1HB PRO 9 HB2 PRO 9 -5.846 5.291 -7.496 67 2HB PRO 9 HB1 PRO 9 -5.615 6.669 -6.345 68 1HG PRO 9 HG1 PRO 9 -3.452 5.625 -7.628 69 2HG PRO 9 HG2 PRO 9 -3.345 5.929 -5.844 70 1HD PRO 9 HD1 PRO 9 -3.945 3.260 -7.261 71 2HD PRO 9 HD2 PRO 9 -2.777 3.620 -5.898 72 H GLU 10 HN GLU 10 -9.205 4.323 -5.357 73 HA GLU 10 HA GLU 10 -7.529 6.666 -4.742 74 1HB GLU 10 HB2 GLU 10 -10.525 6.186 -5.024 75 2HB GLU 10 HB1 GLU 10 -9.828 7.737 -4.427 76 1HG GLU 10 HG2 GLU 10 -8.672 8.149 -6.524 77 2HG GLU 10 HG1 GLU 10 -9.100 6.529 -7.179 78 H ASN 11 HN ASN 11 -9.187 3.873 -3.312 79 HA ASN 11 HA ASN 11 -7.788 4.354 -1.011 80 1HB ASN 11 HB2 ASN 11 -10.079 5.185 -0.079 81 2HB ASN 11 HB1 ASN 11 -10.853 3.733 -0.813 82 1HD2 ASN 11 HD22 ASN 11 -11.380 2.413 1.022 83 2HD2 ASN 11 HD21 ASN 11 -10.400 2.286 2.464 84 H CYS 12 HN CYS 12 -7.467 2.069 -0.465 85 HA CYS 12 HA CYS 12 -9.005 0.045 -1.376 86 1HB CYS 12 HB2 CYS 12 -7.294 0.921 -3.568 87 2HB CYS 12 HB1 CYS 12 -6.503 -0.430 -2.936 88 H VAL 13 HN VAL 13 -6.804 -1.871 -1.487 89 HA VAL 13 HA VAL 13 -4.926 -1.120 0.484 90 HB VAL 13 HB VAL 13 -4.892 -3.541 1.280 91 1HG1 VAL 13 HG11 VAL 13 -7.232 -1.703 2.023 92 2HG1 VAL 13 HG12 VAL 13 -5.714 -2.036 2.918 93 3HG1 VAL 13 HG13 VAL 13 -6.971 -3.305 2.822 94 1HG2 VAL 13 HG21 VAL 13 -7.670 -3.668 -0.068 95 2HG2 VAL 13 HG22 VAL 13 -6.928 -4.910 1.021 96 3HG2 VAL 13 HG23 VAL 13 -6.182 -4.572 -0.562 97 H TYR 14 HN TYR 14 -2.941 -2.402 -0.379 98 HA TYR 14 HA TYR 14 -3.298 -3.030 -3.170 99 1HB TYR 14 HB2 TYR 14 -0.993 -2.262 -1.620 100 2HB TYR 14 HB1 TYR 14 -0.642 -3.887 -2.176 101 HD1 TYR 14 HD1 TYR 14 0.155 -0.779 -3.050 102 HD2 TYR 14 HD2 TYR 14 -1.837 -4.133 -4.881 103 HE1 TYR 14 HE1 TYR 14 0.589 0.158 -5.268 104 HE2 TYR 14 HE2 TYR 14 -1.384 -3.221 -7.082 105 HH TYR 14 HH TYR 14 -0.726 -1.345 -8.236 106 H HIS 15 HN HIS 15 -1.405 -5.414 -3.182 107 HA HIS 15 HA HIS 15 -2.814 -7.307 -1.663 108 1HB HIS 15 HB2 HIS 15 -2.871 -7.323 -4.758 109 2HB HIS 15 HB1 HIS 15 -2.961 -8.825 -3.770 110 HD1 HIS 15 HD1 HIS 15 -4.967 -5.635 -4.384 111 HD2 HIS 15 HD2 HIS 15 -5.328 -9.255 -2.291 112 HE1 HIS 15 HE1 HIS 15 -7.296 -5.703 -3.354 113 HE2 HIS 15 HE2 HIS 15 -7.437 -7.870 -2.075 114 H CYS 16 HN CYS 16 -1.102 -9.340 -2.277 115 HA CYS 16 HA CYS 16 1.503 -8.144 -2.409 116 1HB CYS 16 HB2 CYS 16 0.849 -7.927 0.060 117 2HB CYS 16 HB1 CYS 16 0.242 -9.604 0.040 118 H PHE 17 HN PHE 17 2.920 -10.166 -2.767 119 HA PHE 17 HA PHE 17 1.355 -12.554 -3.284 120 1HB PHE 17 HB2 PHE 17 4.172 -11.931 -4.397 121 2HB PHE 17 HB1 PHE 17 2.994 -13.164 -4.946 122 HD1 PHE 17 HD1 PHE 17 0.503 -11.444 -5.422 123 HD2 PHE 17 HD2 PHE 17 4.668 -10.643 -6.192 124 HE1 PHE 17 HE1 PHE 17 -0.113 -9.910 -7.246 125 HE2 PHE 17 HE2 PHE 17 4.030 -9.114 -8.024 126 HZ PHE 17 HZ PHE 17 1.645 -8.742 -8.549 127 HA PRO 18 HA PRO 18 3.302 -12.364 0.673 128 1HB PRO 18 HB2 PRO 18 3.564 -15.417 0.414 129 2HB PRO 18 HB1 PRO 18 3.092 -14.479 1.887 130 1HG PRO 18 HG1 PRO 18 1.284 -15.639 0.066 131 2HG PRO 18 HG2 PRO 18 0.877 -14.164 1.041 132 1HD PRO 18 HD1 PRO 18 1.208 -14.295 -1.870 133 2HD PRO 18 HD2 PRO 18 0.868 -12.856 -0.826 134 H GLY 19 HN GLY 19 5.301 -11.189 0.202 135 1HA GLY 19 HA2 GLY 19 7.545 -12.203 1.222 136 2HA GLY 19 HA1 GLY 19 7.583 -12.438 -0.605 137 H SER 20 HN SER 20 9.248 -10.355 -0.059 138 HA SER 20 HA SER 20 7.741 -7.914 0.153 139 1HB SER 20 HB2 SER 20 10.709 -8.231 -0.599 140 2HB SER 20 HB1 SER 20 9.902 -6.843 0.220 141 HG SER 20 HG SER 20 11.050 -8.107 1.679 142 H SER 21 HN SER 21 8.539 -10.165 -2.305 143 HA SER 21 HA SER 21 9.926 -9.096 -4.122 144 1HB SER 21 HB2 SER 21 7.529 -10.844 -4.869 145 2HB SER 21 HB1 SER 21 9.248 -10.958 -5.404 146 HG SER 21 HG SER 21 8.645 -12.511 -3.804 147 H GLY 22 HN GLY 22 6.289 -8.899 -4.407 148 1HA GLY 22 HA2 GLY 22 6.652 -7.580 -6.931 149 2HA GLY 22 HA1 GLY 22 5.110 -7.958 -6.063 150 H CYS 23 HN CYS 23 5.853 -6.650 -3.605 151 HA CYS 23 HA CYS 23 4.958 -4.060 -4.410 152 1HB CYS 23 HB2 CYS 23 5.302 -5.311 -1.639 153 2HB CYS 23 HB1 CYS 23 4.749 -3.627 -1.918 154 H ASP 24 HN ASP 24 8.049 -5.497 -3.607 155 HA ASP 24 HA ASP 24 9.411 -3.185 -2.874 156 1HB ASP 24 HB2 ASP 24 10.380 -5.538 -2.927 157 2HB ASP 24 HB1 ASP 24 10.406 -5.452 -4.722 158 H THR 25 HN THR 25 8.762 -4.532 -6.240 159 HA THR 25 HA THR 25 9.691 -2.321 -7.580 160 HB THR 25 HB THR 25 7.577 -3.402 -9.149 161 HG1 THR 25 HG1 THR 25 7.257 -5.053 -7.576 162 1HG2 THR 25 HG21 THR 25 10.535 -4.278 -8.854 163 2HG2 THR 25 HG22 THR 25 9.939 -2.906 -9.862 164 3HG2 THR 25 HG23 THR 25 9.476 -4.597 -10.277 165 H LEU 26 HN LEU 26 6.329 -3.010 -6.438 166 HA LEU 26 HA LEU 26 5.210 -0.776 -7.723 167 1HB LEU 26 HB2 LEU 26 4.293 -2.271 -5.186 168 2HB LEU 26 HB1 LEU 26 3.277 -1.117 -6.083 169 HG LEU 26 HG LEU 26 4.431 -3.683 -7.346 170 1HD1 LEU 26 HD11 LEU 26 2.987 -4.381 -5.510 171 2HD1 LEU 26 HD12 LEU 26 2.100 -4.617 -7.058 172 3HD1 LEU 26 HD13 LEU 26 1.706 -3.216 -5.987 173 1HD2 LEU 26 HD21 LEU 26 2.174 -1.795 -8.267 174 2HD2 LEU 26 HD22 LEU 26 2.675 -3.331 -9.071 175 3HD2 LEU 26 HD23 LEU 26 3.807 -1.937 -9.011 176 H CYS 27 HN CYS 27 6.504 -1.198 -4.409 177 HA CYS 27 HA CYS 27 5.704 1.329 -3.532 178 1HB CYS 27 HB2 CYS 27 6.699 -0.709 -2.158 179 2HB CYS 27 HB1 CYS 27 8.281 0.063 -2.454 180 H LYS 28 HN LYS 28 8.556 0.234 -5.373 181 HA LYS 28 HA LYS 28 10.080 2.530 -4.953 182 1HB LYS 28 HB2 LYS 28 10.594 0.103 -6.114 183 2HB LYS 28 HB1 LYS 28 10.322 1.027 -7.606 184 1HG LYS 28 HG2 LYS 28 12.688 1.124 -7.213 185 2HG LYS 28 HG1 LYS 28 12.069 2.728 -6.680 186 1HD LYS 28 HD2 LYS 28 13.636 2.012 -4.986 187 2HD LYS 28 HD1 LYS 28 12.000 1.797 -4.287 188 1HE LYS 28 HE2 LYS 28 12.296 -0.737 -5.233 189 2HE LYS 28 HE1 LYS 28 14.045 -0.310 -5.215 190 1HZ LYS 28 HZ1 LYS 28 13.773 0.271 -2.858 191 2HZ LYS 28 HZ2 LYS 28 13.356 -1.344 -3.188 192 3HZ LYS 28 HZ3 LYS 28 12.141 -0.186 -2.933 193 H GLU 29 HN GLU 29 7.682 1.688 -7.492 194 HA GLU 29 HA GLU 29 8.264 4.046 -8.987 195 1HB GLU 29 HB2 GLU 29 6.188 3.507 -10.293 196 2HB GLU 29 HB1 GLU 29 7.414 2.207 -10.251 197 1HG GLU 29 HG2 GLU 29 6.088 0.986 -8.549 198 2HG GLU 29 HG1 GLU 29 4.859 2.307 -8.504 199 H LYS 30 HN LYS 30 6.046 3.294 -6.321 200 HA LYS 30 HA LYS 30 4.600 5.775 -6.717 201 1HB LYS 30 HB2 LYS 30 4.413 3.706 -4.461 202 2HB LYS 30 HB1 LYS 30 3.394 5.181 -4.620 203 1HG LYS 30 HG2 LYS 30 2.623 4.369 -6.903 204 2HG LYS 30 HG1 LYS 30 3.582 2.877 -6.657 205 1HD LYS 30 HD2 LYS 30 1.278 2.372 -6.200 206 2HD LYS 30 HD1 LYS 30 2.196 2.284 -4.661 207 1HE LYS 30 HE2 LYS 30 1.287 4.597 -4.037 208 2HE LYS 30 HE1 LYS 30 0.375 4.626 -5.604 209 1HZ LYS 30 HZ1 LYS 30 -1.009 3.932 -3.807 210 2HZ LYS 30 HZ2 LYS 30 0.046 2.673 -3.386 211 3HZ LYS 30 HZ3 LYS 30 -0.778 2.622 -4.861 212 H GLY 31 HN GLY 31 7.293 4.561 -4.727 213 1HA GLY 31 HA2 GLY 31 8.988 6.093 -4.493 214 2HA GLY 31 HA1 GLY 31 7.803 7.409 -4.156 215 H GLY 32 HN GLY 32 7.918 4.058 -2.755 216 1HA GLY 32 HA2 GLY 32 8.983 5.284 -0.292 217 2HA GLY 32 HA1 GLY 32 7.891 3.845 -0.358 218 H THR 33 HN THR 33 10.566 3.791 0.822 219 HA THR 33 HA THR 33 12.331 3.070 -1.371 220 HB THR 33 HB THR 33 14.086 3.155 0.456 221 HG1 THR 33 HG1 THR 33 12.769 2.762 2.236 222 1HG2 THR 33 HG21 THR 33 13.497 5.111 -1.040 223 2HG2 THR 33 HG22 THR 33 13.979 5.645 0.613 224 3HG2 THR 33 HG23 THR 33 12.238 5.634 0.140 225 H SER 34 HN SER 34 10.194 1.383 0.717 226 HA SER 34 HA SER 34 11.555 -1.053 0.034 227 1HB SER 34 HB2 SER 34 10.737 -0.555 2.985 228 2HB SER 34 HB1 SER 34 11.628 -1.975 2.305 229 HG SER 34 HG SER 34 13.257 -0.286 1.736 230 H GLY 35 HN GLY 35 9.900 -2.830 0.173 231 1HA GLY 35 HA2 GLY 35 7.207 -1.887 0.618 232 2HA GLY 35 HA1 GLY 35 7.732 -2.620 -0.978 233 H HIS 36 HN HIS 36 6.140 -3.672 1.564 234 HA HIS 36 HA HIS 36 7.568 -6.191 1.727 235 1HB HIS 36 HB2 HIS 36 6.572 -4.623 4.194 236 2HB HIS 36 HB1 HIS 36 7.222 -6.297 4.213 237 HD1 HIS 36 HD1 HIS 36 9.820 -6.377 3.146 238 HD2 HIS 36 HD2 HIS 36 8.538 -2.818 4.972 239 HE1 HIS 36 HE1 HIS 36 11.888 -5.051 3.764 240 HE2 HIS 36 HE2 HIS 36 11.062 -2.941 4.909 241 H CYS 37 HN CYS 37 5.487 -7.071 3.703 242 HA CYS 37 HA CYS 37 3.261 -7.086 1.799 243 1HB CYS 37 HB2 CYS 37 4.758 -9.218 2.243 244 2HB CYS 37 HB1 CYS 37 4.017 -9.245 3.871 245 H GLY 38 HN GLY 38 1.057 -7.673 3.285 246 1HA GLY 38 HA2 GLY 38 1.163 -6.926 5.938 247 2HA GLY 38 HA1 GLY 38 0.682 -5.524 4.867 248 H PHE 39 HN PHE 39 -1.551 -6.210 6.260 249 HA PHE 39 HA PHE 39 -3.126 -7.518 4.360 250 1HB PHE 39 HB2 PHE 39 -2.247 -9.392 6.135 251 2HB PHE 39 HB1 PHE 39 -3.285 -8.516 7.311 252 HD1 PHE 39 HD1 PHE 39 -5.778 -8.645 7.051 253 HD2 PHE 39 HD2 PHE 39 -3.150 -10.611 4.271 254 HE1 PHE 39 HE1 PHE 39 -7.691 -9.871 6.111 255 HE2 PHE 39 HE2 PHE 39 -5.067 -11.857 3.340 256 HZ PHE 39 HZ PHE 39 -7.353 -11.495 4.263 257 H LYS 40 HN LYS 40 -5.476 -6.708 5.192 258 HA LYS 40 HA LYS 40 -5.541 -5.195 7.527 259 1HB LYS 40 HB2 LYS 40 -5.948 -3.844 4.779 260 2HB LYS 40 HB1 LYS 40 -6.922 -3.327 6.185 261 1HG LYS 40 HG2 LYS 40 -3.883 -3.072 5.885 262 2HG LYS 40 HG1 LYS 40 -5.120 -1.773 5.876 263 1HD LYS 40 HD2 LYS 40 -4.174 -3.496 8.230 264 2HD LYS 40 HD1 LYS 40 -3.985 -1.732 8.010 265 1HE LYS 40 HE2 LYS 40 -6.641 -3.228 8.596 266 2HE LYS 40 HE1 LYS 40 -5.681 -2.212 9.737 267 1HZ LYS 40 HZ1 LYS 40 -7.033 -1.267 7.262 268 2HZ LYS 40 HZ2 LYS 40 -6.114 -0.311 8.330 269 3HZ LYS 40 HZ3 LYS 40 -7.548 -1.047 8.863 270 H VAL 41 HN VAL 41 -8.162 -4.615 7.485 271 HA VAL 41 HA VAL 41 -9.467 -6.851 6.156 272 HB VAL 41 HB VAL 41 -10.924 -6.179 8.569 273 1HG1 VAL 41 HG11 VAL 41 -10.929 -8.346 7.292 274 2HG1 VAL 41 HG12 VAL 41 -10.533 -8.610 9.030 275 3HG1 VAL 41 HG13 VAL 41 -9.221 -8.645 7.796 276 1HG2 VAL 41 HG21 VAL 41 -7.961 -6.863 9.180 277 2HG2 VAL 41 HG22 VAL 41 -9.318 -6.784 10.355 278 3HG2 VAL 41 HG23 VAL 41 -8.772 -5.282 9.542 279 H GLY 42 HN GLY 42 -11.932 -6.174 6.221 280 1HA GLY 42 HA2 GLY 42 -13.436 -4.687 5.482 281 2HA GLY 42 HA1 GLY 42 -12.297 -3.333 5.866 282 H HIS 43 HN HIS 43 -11.375 -6.234 4.057 283 HA HIS 43 HA HIS 43 -11.692 -5.905 1.504 284 1HB HIS 43 HB2 HIS 43 -9.070 -4.526 2.467 285 2HB HIS 43 HB1 HIS 43 -9.325 -5.152 0.798 286 HD1 HIS 43 HD1 HIS 43 -8.833 -2.109 1.882 287 HD2 HIS 43 HD2 HIS 43 -12.268 -3.757 0.119 288 HE1 HIS 43 HE1 HIS 43 -10.080 -0.214 0.790 289 HE2 HIS 43 HE2 HIS 43 -12.171 -1.245 -0.236 290 H GLY 44 HN GLY 44 -8.675 -6.907 1.244 291 1HA GLY 44 HA2 GLY 44 -8.203 -8.353 3.578 292 2HA GLY 44 HA1 GLY 44 -8.681 -9.354 2.102 293 H LEU 45 HN LEU 45 -5.917 -8.820 3.358 294 HA LEU 45 HA LEU 45 -3.919 -8.715 2.638 295 1HB LEU 45 HB2 LEU 45 -5.141 -9.629 0.437 296 2HB LEU 45 HB1 LEU 45 -4.564 -8.093 -0.253 297 HG LEU 45 HG LEU 45 -2.253 -8.781 -0.007 298 1HD1 LEU 45 HD11 LEU 45 -2.098 -9.833 2.204 299 2HD1 LEU 45 HD12 LEU 45 -1.510 -10.977 0.960 300 3HD1 LEU 45 HD13 LEU 45 -3.142 -11.214 1.668 301 1HD2 LEU 45 HD21 LEU 45 -2.237 -10.953 -1.305 302 2HD2 LEU 45 HD22 LEU 45 -3.525 -9.840 -1.905 303 3HD2 LEU 45 HD23 LEU 45 -3.955 -11.231 -0.856 304 H ALA 46 HN ALA 46 -2.224 -6.921 1.323 305 HA ALA 46 HA ALA 46 -3.147 -4.475 0.812 306 1HB ALA 46 HB1 ALA 46 -1.907 -4.680 3.661 307 2HB ALA 46 HB2 ALA 46 -3.571 -4.085 3.315 308 3HB ALA 46 HB3 ALA 46 -2.168 -3.134 2.746 309 H CYS 47 HN CYS 47 -0.599 -3.196 1.310 310 HA CYS 47 HA CYS 47 1.281 -5.366 1.568 311 1HB CYS 47 HB2 CYS 47 1.266 -3.554 -0.843 312 2HB CYS 47 HB1 CYS 47 2.819 -3.569 0.050 313 H TRP 48 HN TRP 48 3.464 -3.880 2.163 314 HA TRP 48 HA TRP 48 2.485 -1.680 3.836 315 1HB TRP 48 HB2 TRP 48 2.774 -3.545 5.429 316 2HB TRP 48 HB1 TRP 48 4.283 -4.043 4.591 317 HD1 TRP 48 HD1 TRP 48 6.478 -2.525 4.924 318 HE1 TRP 48 HE1 TRP 48 7.227 -0.932 6.679 319 HE3 TRP 48 HE3 TRP 48 1.990 -2.007 7.281 320 HZ2 TRP 48 HZ2 TRP 48 6.034 0.338 9.063 321 HZ3 TRP 48 HZ3 TRP 48 1.839 -0.582 9.287 322 HH2 TRP 48 HH2 TRP 48 3.843 0.581 10.168 323 H CYS 49 HN CYS 49 4.096 0.030 3.901 324 HA CYS 49 HA CYS 49 6.437 -0.371 2.198 325 1HB CYS 49 HB2 CYS 49 4.173 1.640 1.727 326 2HB CYS 49 HB1 CYS 49 5.854 2.150 1.416 327 H ASN 50 HN ASN 50 8.022 1.339 2.663 328 HA ASN 50 HA ASN 50 7.529 2.725 5.201 329 1HB ASN 50 HB2 ASN 50 10.057 1.193 4.300 330 2HB ASN 50 HB1 ASN 50 10.122 2.498 5.529 331 1HD2 ASN 50 HD21 ASN 50 9.311 2.134 7.655 332 2HD2 ASN 50 HD22 ASN 50 8.892 0.547 8.209 333 H ALA 51 HN ALA 51 8.246 4.801 5.163 334 HA ALA 51 HA ALA 51 8.952 6.692 4.594 335 1HB ALA 51 HB1 ALA 51 11.045 7.065 3.351 336 2HB ALA 51 HB2 ALA 51 11.029 5.349 2.805 337 3HB ALA 51 HB3 ALA 51 11.232 5.731 4.554 338 H LEU 52 HN LEU 52 6.678 6.426 3.540 339 HA LEU 52 HA LEU 52 6.856 7.016 0.655 340 1HB LEU 52 HB2 LEU 52 4.445 6.578 2.505 341 2HB LEU 52 HB1 LEU 52 4.297 7.142 0.813 342 HG LEU 52 HG LEU 52 5.608 4.475 1.595 343 1HD1 LEU 52 HD11 LEU 52 3.392 3.446 0.888 344 2HD1 LEU 52 HD12 LEU 52 2.705 5.101 0.764 345 3HD1 LEU 52 HD13 LEU 52 3.258 4.471 2.363 346 1HD2 LEU 52 HD21 LEU 52 4.413 5.338 -1.125 347 2HD2 LEU 52 HD22 LEU 52 5.380 3.865 -0.759 348 3HD2 LEU 52 HD23 LEU 52 6.138 5.494 -0.722 349 HA PRO 53 HA PRO 53 6.391 11.201 2.329 350 1HB PRO 53 HB2 PRO 53 5.951 12.465 -0.277 351 2HB PRO 53 HB1 PRO 53 7.467 12.421 0.684 352 1HG PRO 53 HG1 PRO 53 6.788 10.943 -1.765 353 2HG PRO 53 HG2 PRO 53 8.362 10.981 -0.881 354 1HD PRO 53 HD1 PRO 53 6.332 8.835 -0.914 355 2HD PRO 53 HD2 PRO 53 7.942 8.850 -0.084 356 H ASP 54 HN ASP 54 4.857 13.072 2.029 357 HA ASP 54 HA ASP 54 2.357 12.281 2.756 358 1HB ASP 54 HB2 ASP 54 3.297 14.959 1.576 359 2HB ASP 54 HB1 ASP 54 1.770 14.749 2.523 360 H ASN 55 HN ASN 55 3.472 12.687 -0.552 361 HA ASN 55 HA ASN 55 0.887 13.470 -1.538 362 1HB ASN 55 HB2 ASN 55 1.835 13.241 -3.801 363 2HB ASN 55 HB1 ASN 55 2.901 14.256 -2.762 364 1HD2 ASN 55 HD21 ASN 55 2.919 11.651 -4.983 365 2HD2 ASN 55 HD22 ASN 55 4.462 10.986 -4.572 366 H VAL 56 HN VAL 56 2.327 10.523 -0.471 367 HA VAL 56 HA VAL 56 0.774 8.958 -2.391 368 HB VAL 56 HB VAL 56 2.443 7.758 -0.155 369 1HG1 VAL 56 HG11 VAL 56 0.947 6.298 -1.551 370 2HG1 VAL 56 HG12 VAL 56 2.665 5.967 -1.967 371 3HG1 VAL 56 HG13 VAL 56 1.665 6.976 -3.061 372 1HG2 VAL 56 HG21 VAL 56 4.432 7.790 -1.685 373 2HG2 VAL 56 HG22 VAL 56 3.995 9.429 -1.138 374 3HG2 VAL 56 HG23 VAL 56 3.558 8.908 -2.802 375 H GLY 57 HN GLY 57 -1.198 7.996 -1.675 376 1HA GLY 57 HA2 GLY 57 -1.845 8.463 1.152 377 2HA GLY 57 HA1 GLY 57 -3.002 8.675 -0.255 378 H ILE 58 HN ILE 58 -3.183 6.669 1.917 379 HA ILE 58 HA ILE 58 -2.519 4.137 0.592 380 HB ILE 58 HB ILE 58 -1.559 3.430 2.759 381 1HG1 ILE 58 HG12 ILE 58 -1.390 6.440 3.448 382 2HG1 ILE 58 HG11 ILE 58 -2.563 5.301 4.196 383 1HG2 ILE 58 HG21 ILE 58 -0.161 4.114 0.755 384 2HG2 ILE 58 HG22 ILE 58 0.685 4.362 2.321 385 3HG2 ILE 58 HG23 ILE 58 -0.023 5.764 1.448 386 1HD1 ILE 58 HD11 ILE 58 -0.601 3.885 4.995 387 2HD1 ILE 58 HD12 ILE 58 -0.665 5.543 5.706 388 3HD1 ILE 58 HD13 ILE 58 0.519 5.169 4.396 389 H ILE 59 HN ILE 59 -3.366 3.065 3.375 390 HA ILE 59 HA ILE 59 -5.989 2.731 2.458 391 HB ILE 59 HB ILE 59 -5.311 2.193 5.372 392 1HG1 ILE 59 HG12 ILE 59 -3.355 1.289 4.363 393 2HG1 ILE 59 HG11 ILE 59 -4.480 -0.011 4.823 394 1HG2 ILE 59 HG21 ILE 59 -7.095 0.885 3.191 395 2HG2 ILE 59 HG22 ILE 59 -7.647 1.837 4.616 396 3HG2 ILE 59 HG23 ILE 59 -6.878 0.231 4.858 397 1HD1 ILE 59 HD11 ILE 59 -5.269 0.026 2.304 398 2HD1 ILE 59 HD12 ILE 59 -3.680 -0.726 2.704 399 3HD1 ILE 59 HD13 ILE 59 -3.738 0.925 2.013 400 H VAL 60 HN VAL 60 -7.711 4.068 2.618 401 HA VAL 60 HA VAL 60 -7.521 6.419 4.274 402 HB VAL 60 HB VAL 60 -9.793 5.445 2.469 403 1HG1 VAL 60 HG11 VAL 60 -10.512 7.838 2.526 404 2HG1 VAL 60 HG12 VAL 60 -9.216 8.209 3.724 405 3HG1 VAL 60 HG13 VAL 60 -10.578 7.099 4.164 406 1HG2 VAL 60 HG21 VAL 60 -7.446 7.399 1.949 407 2HG2 VAL 60 HG22 VAL 60 -8.825 7.117 0.828 408 3HG2 VAL 60 HG23 VAL 60 -7.659 5.794 1.170 409 H GLU 61 HN GLU 61 -9.635 3.428 4.063 410 HA GLU 61 HA GLU 61 -9.788 3.369 6.845 411 1HB GLU 61 HB2 GLU 61 -11.643 5.161 6.211 412 2HB GLU 61 HB1 GLU 61 -12.445 3.855 5.301 413 1HG GLU 61 HG2 GLU 61 -13.532 4.134 7.481 414 2HG GLU 61 HG1 GLU 61 -12.679 2.553 7.493 415 H GLY 62 HN GLY 62 -11.071 1.142 7.153 416 1HA GLY 62 HA2 GLY 62 -10.659 -0.507 4.768 417 2HA GLY 62 HA1 GLY 62 -11.049 -1.015 6.463 418 H GLU 63 HN GLU 63 -12.337 0.775 3.658 419 HA GLU 63 HA GLU 63 -15.066 0.403 4.691 420 1HB GLU 63 HB2 GLU 63 -14.280 2.736 4.928 421 2HB GLU 63 HB1 GLU 63 -13.797 2.781 3.206 422 1HG GLU 63 HG2 GLU 63 -16.230 2.540 2.541 423 2HG GLU 63 HG1 GLU 63 -16.686 2.452 4.280 424 H LYS 64 HN LYS 64 -13.316 1.267 1.560 425 HA LYS 64 HA LYS 64 -14.742 -0.692 0.175 426 1HB LYS 64 HB2 LYS 64 -16.485 1.308 0.639 427 2HB LYS 64 HB1 LYS 64 -15.460 2.267 -0.471 428 1HG LYS 64 HG2 LYS 64 -17.463 1.375 -1.572 429 2HG LYS 64 HG1 LYS 64 -16.036 0.595 -2.316 430 1HD LYS 64 HD2 LYS 64 -16.431 -1.472 -1.021 431 2HD LYS 64 HD1 LYS 64 -17.715 -0.662 -0.051 432 1HE LYS 64 HE2 LYS 64 -19.129 -0.434 -2.132 433 2HE LYS 64 HE1 LYS 64 -17.821 -1.240 -3.093 434 1HZ LYS 64 HZ1 LYS 64 -18.092 -3.196 -1.760 435 2HZ LYS 64 HZ2 LYS 64 -19.583 -2.739 -2.430 436 3HZ LYS 64 HZ3 LYS 64 -19.263 -2.446 -0.787 437 H CYS 65 HN CYS 65 -14.095 0.215 -2.343 438 HA CYS 65 HA CYS 65 -11.514 1.461 -2.214 439 1HB CYS 65 HB2 CYS 65 -10.954 -1.014 -2.355 440 2HB CYS 65 HB1 CYS 65 -12.189 -1.222 -3.632 441 H HIS 66 HN HIS 66 -11.352 2.515 -4.401 442 HA HIS 66 HA HIS 66 -13.431 2.309 -6.249 443 1HB HIS 66 HB2 HIS 66 -13.824 4.857 -6.219 444 2HB HIS 66 HB1 HIS 66 -14.666 4.007 -4.886 445 HD1 HIS 66 HD1 HIS 66 -13.558 7.072 -5.047 446 HD2 HIS 66 HD2 HIS 66 -12.032 3.945 -2.699 447 HE1 HIS 66 HE1 HIS 66 -12.371 8.119 -3.062 448 HE2 HIS 66 HE2 HIS 66 -11.461 6.197 -1.687 449 H SER 67 HN SER 67 -12.273 3.546 -8.189 450 HA SER 67 HA SER 67 -9.691 4.461 -7.675 451 1HB SER 67 HB2 SER 67 -10.177 1.879 -9.353 452 2HB SER 67 HB1 SER 67 -8.621 2.789 -9.280 453 HG SER 67 HG SER 67 -8.423 2.180 -7.104 454 1HN NH2 68 H1 NH2 68 -10.632 5.701 -10.993 455 2HN NH2 68 H2 NH2 68 -9.215 5.298 -10.071 Start of MODEL 34 1 1H VAL 1 HT1 VAL 1 6.982 12.899 5.573 2 2H VAL 1 HT2 VAL 1 6.924 12.093 7.073 3 3H VAL 1 HT3 VAL 1 5.503 12.735 6.402 4 HA VAL 1 HA VAL 1 5.716 11.251 4.540 5 HB VAL 1 HB VAL 1 7.199 9.225 4.781 6 1HG1 VAL 1 HG11 VAL 1 9.222 10.383 3.987 7 2HG1 VAL 1 HG12 VAL 1 8.632 11.953 4.647 8 3HG1 VAL 1 HG13 VAL 1 7.746 11.143 3.306 9 1HG2 VAL 1 HG21 VAL 1 8.516 10.833 7.077 10 2HG2 VAL 1 HG22 VAL 1 9.093 9.281 6.374 11 3HG2 VAL 1 HG23 VAL 1 7.542 9.330 7.277 12 H ARG 2 HN ARG 2 5.173 8.694 4.819 13 HA ARG 2 HA ARG 2 3.762 8.297 7.335 14 1HB ARG 2 HB2 ARG 2 1.784 7.353 6.032 15 2HB ARG 2 HB1 ARG 2 1.987 9.125 5.908 16 1HG ARG 2 HG2 ARG 2 3.483 8.123 3.704 17 2HG ARG 2 HG1 ARG 2 2.026 7.096 3.735 18 1HD ARG 2 HD2 ARG 2 1.984 10.202 3.823 19 2HD ARG 2 HD1 ARG 2 1.976 9.239 2.300 20 HE ARG 2 HE ARG 2 -0.214 8.495 2.699 21 1HH1 ARG 2 HH11 ARG 2 0.838 10.783 5.250 22 2HH1 ARG 2 HH12 ARG 2 -0.768 11.049 5.833 23 1HH2 ARG 2 HH21 ARG 2 -2.319 8.786 3.581 24 2HH2 ARG 2 HH22 ARG 2 -2.583 9.900 4.881 25 H ASP 3 HN ASP 3 3.196 5.861 7.476 26 HA ASP 3 HA ASP 3 4.822 4.193 5.794 27 1HB ASP 3 HB2 ASP 3 4.372 3.715 8.842 28 2HB ASP 3 HB1 ASP 3 5.336 2.702 7.714 29 H GLY 4 HN GLY 4 3.181 2.414 5.275 30 1HA GLY 4 HA2 GLY 4 0.865 2.364 6.878 31 2HA GLY 4 HA1 GLY 4 0.624 3.224 5.286 32 H TYR 5 HN TYR 5 -0.834 1.087 5.214 33 HA TYR 5 HA TYR 5 0.722 -0.924 3.790 34 1HB TYR 5 HB2 TYR 5 -2.324 -0.523 4.142 35 2HB TYR 5 HB1 TYR 5 -1.556 -1.818 3.149 36 HD1 TYR 5 HD1 TYR 5 -0.407 -3.674 4.199 37 HD2 TYR 5 HD2 TYR 5 -2.155 -0.572 6.613 38 HE1 TYR 5 HE1 TYR 5 -0.364 -5.161 6.153 39 HE2 TYR 5 HE2 TYR 5 -2.082 -2.054 8.582 40 HH TYR 5 HH TYR 5 -1.705 -5.444 8.202 41 H ILE 6 HN ILE 6 0.691 -0.733 1.409 42 HA ILE 6 HA ILE 6 -0.143 1.969 0.595 43 HB ILE 6 HB ILE 6 2.184 1.549 0.154 44 1HG1 ILE 6 HG12 ILE 6 0.423 1.956 -2.340 45 2HG1 ILE 6 HG11 ILE 6 0.876 3.197 -1.124 46 1HG2 ILE 6 HG21 ILE 6 2.853 -0.035 -1.663 47 2HG2 ILE 6 HG22 ILE 6 1.163 -0.640 -1.755 48 3HG2 ILE 6 HG23 ILE 6 2.140 -0.863 -0.247 49 1HD1 ILE 6 HD11 ILE 6 3.353 2.731 -1.761 50 2HD1 ILE 6 HD12 ILE 6 2.336 3.512 -3.024 51 3HD1 ILE 6 HD13 ILE 6 2.710 1.755 -3.132 52 H ALA 7 HN ALA 7 -1.497 2.270 -0.991 53 HA ALA 7 HA ALA 7 -3.382 0.150 -1.606 54 1HB ALA 7 HB1 ALA 7 -3.899 3.205 -1.492 55 2HB ALA 7 HB2 ALA 7 -4.253 2.098 -0.134 56 3HB ALA 7 HB3 ALA 7 -5.143 1.907 -1.647 57 H GLN 8 HN GLN 8 -4.805 1.968 -3.330 58 HA GLN 8 HA GLN 8 -3.122 2.629 -5.510 59 1HB GLN 8 HB2 GLN 8 -5.758 0.970 -5.697 60 2HB GLN 8 HB1 GLN 8 -4.810 1.562 -7.101 61 1HG GLN 8 HG2 GLN 8 -3.009 -0.051 -6.627 62 2HG GLN 8 HG1 GLN 8 -3.742 -0.505 -5.047 63 1HE2 GLN 8 HE21 GLN 8 -5.401 -2.080 -5.013 64 2HE2 GLN 8 HE22 GLN 8 -6.037 -2.813 -6.461 65 HA PRO 9 HA PRO 9 -6.408 5.639 -4.683 66 1HB PRO 9 HB2 PRO 9 -6.866 5.670 -7.743 67 2HB PRO 9 HB1 PRO 9 -6.754 7.101 -6.641 68 1HG PRO 9 HG1 PRO 9 -4.622 6.368 -8.205 69 2HG PRO 9 HG2 PRO 9 -4.346 6.859 -6.482 70 1HD PRO 9 HD1 PRO 9 -4.426 4.021 -7.646 71 2HD PRO 9 HD2 PRO 9 -3.357 4.736 -6.342 72 H GLU 10 HN GLU 10 -9.704 4.180 -5.165 73 HA GLU 10 HA GLU 10 -8.471 6.806 -4.805 74 1HB GLU 10 HB2 GLU 10 -11.217 5.561 -4.399 75 2HB GLU 10 HB1 GLU 10 -10.844 7.129 -3.633 76 1HG GLU 10 HG2 GLU 10 -10.332 8.158 -5.833 77 2HG GLU 10 HG1 GLU 10 -10.584 6.581 -6.660 78 H ASN 11 HN ASN 11 -9.863 4.065 -2.869 79 HA ASN 11 HA ASN 11 -7.991 4.479 -0.802 80 1HB ASN 11 HB2 ASN 11 -10.221 5.420 0.208 81 2HB ASN 11 HB1 ASN 11 -11.076 3.981 -0.460 82 1HD2 ASN 11 HD21 ASN 11 -11.654 3.781 1.963 83 2HD2 ASN 11 HD22 ASN 11 -10.470 3.112 3.062 84 H CYS 12 HN CYS 12 -7.378 2.216 -0.708 85 HA CYS 12 HA CYS 12 -9.010 0.153 -1.549 86 1HB CYS 12 HB2 CYS 12 -7.093 1.295 -3.650 87 2HB CYS 12 HB1 CYS 12 -7.196 -0.475 -3.567 88 H VAL 13 HN VAL 13 -6.824 -1.616 -2.204 89 HA VAL 13 HA VAL 13 -4.758 -1.111 -0.319 90 HB VAL 13 HB VAL 13 -4.682 -3.758 -0.208 91 1HG1 VAL 13 HG11 VAL 13 -4.917 -2.408 1.815 92 2HG1 VAL 13 HG12 VAL 13 -6.088 -3.753 1.888 93 3HG1 VAL 13 HG13 VAL 13 -6.649 -2.075 1.462 94 1HG2 VAL 13 HG21 VAL 13 -7.730 -3.389 -0.588 95 2HG2 VAL 13 HG22 VAL 13 -6.841 -4.906 -0.209 96 3HG2 VAL 13 HG23 VAL 13 -6.606 -4.126 -1.807 97 H TYR 14 HN TYR 14 -2.856 -2.336 -1.395 98 HA TYR 14 HA TYR 14 -3.266 -2.631 -4.254 99 1HB TYR 14 HB2 TYR 14 -0.945 -2.152 -2.562 100 2HB TYR 14 HB1 TYR 14 -0.657 -3.706 -3.352 101 HD1 TYR 14 HD1 TYR 14 -1.686 -3.572 -6.037 102 HD2 TYR 14 HD2 TYR 14 0.093 -0.416 -3.712 103 HE1 TYR 14 HE1 TYR 14 -1.067 -2.396 -8.102 104 HE2 TYR 14 HE2 TYR 14 0.732 0.746 -5.757 105 HH TYR 14 HH TYR 14 0.605 0.780 -8.045 106 H HIS 15 HN HIS 15 -1.530 -5.172 -4.327 107 HA HIS 15 HA HIS 15 -2.892 -6.885 -2.526 108 1HB HIS 15 HB2 HIS 15 -3.012 -7.370 -5.581 109 2HB HIS 15 HB1 HIS 15 -3.048 -8.701 -4.369 110 HD1 HIS 15 HD1 HIS 15 -5.176 -5.712 -5.415 111 HD2 HIS 15 HD2 HIS 15 -5.428 -9.143 -3.007 112 HE1 HIS 15 HE1 HIS 15 -7.585 -5.932 -4.655 113 HE2 HIS 15 HE2 HIS 15 -7.681 -7.998 -3.193 114 H CYS 16 HN CYS 16 -1.320 -9.022 -2.960 115 HA CYS 16 HA CYS 16 1.343 -7.949 -3.265 116 1HB CYS 16 HB2 CYS 16 0.836 -7.779 -0.787 117 2HB CYS 16 HB1 CYS 16 0.070 -9.384 -0.819 118 H PHE 17 HN PHE 17 2.658 -10.014 -3.673 119 HA PHE 17 HA PHE 17 0.974 -12.287 -4.403 120 1HB PHE 17 HB2 PHE 17 3.870 -11.640 -5.309 121 2HB PHE 17 HB1 PHE 17 2.799 -12.952 -5.906 122 HD1 PHE 17 HD1 PHE 17 4.375 -10.443 -7.214 123 HD2 PHE 17 HD2 PHE 17 0.233 -11.320 -6.418 124 HE1 PHE 17 HE1 PHE 17 3.690 -8.909 -9.030 125 HE2 PHE 17 HE2 PHE 17 -0.431 -9.793 -8.228 126 HZ PHE 17 HZ PHE 17 1.289 -8.575 -9.532 127 HA PRO 18 HA PRO 18 2.658 -12.359 -0.326 128 1HB PRO 18 HB2 PRO 18 2.287 -15.397 -0.610 129 2HB PRO 18 HB1 PRO 18 2.033 -14.406 0.888 130 1HG PRO 18 HG1 PRO 18 -0.093 -14.989 -0.755 131 2HG PRO 18 HG2 PRO 18 0.085 -13.320 -0.075 132 1HD PRO 18 HD1 PRO 18 0.557 -14.234 -2.910 133 2HD PRO 18 HD2 PRO 18 0.167 -12.590 -2.246 134 H GLY 19 HN GLY 19 4.812 -11.607 -0.444 135 1HA GLY 19 HA2 GLY 19 6.912 -13.007 0.355 136 2HA GLY 19 HA1 GLY 19 6.847 -13.123 -1.486 137 H SER 20 HN SER 20 8.835 -11.273 -0.993 138 HA SER 20 HA SER 20 7.588 -8.738 -0.390 139 1HB SER 20 HB2 SER 20 10.049 -7.968 -0.711 140 2HB SER 20 HB1 SER 20 9.707 -9.068 0.677 141 HG SER 20 HG SER 20 11.529 -9.701 -0.566 142 H SER 21 HN SER 21 8.653 -10.687 -3.175 143 HA SER 21 HA SER 21 9.862 -9.146 -4.740 144 1HB SER 21 HB2 SER 21 7.661 -10.962 -5.854 145 2HB SER 21 HB1 SER 21 9.326 -10.671 -6.499 146 HG SER 21 HG SER 21 9.260 -12.614 -5.370 147 H GLY 22 HN GLY 22 6.269 -9.330 -5.216 148 1HA GLY 22 HA2 GLY 22 6.371 -7.311 -7.207 149 2HA GLY 22 HA1 GLY 22 4.915 -7.992 -6.385 150 H CYS 23 HN CYS 23 5.471 -7.330 -3.712 151 HA CYS 23 HA CYS 23 4.425 -4.733 -3.736 152 1HB CYS 23 HB2 CYS 23 5.583 -6.431 -1.432 153 2HB CYS 23 HB1 CYS 23 4.904 -4.792 -1.174 154 H ASP 24 HN ASP 24 7.713 -5.978 -2.859 155 HA ASP 24 HA ASP 24 8.508 -3.407 -2.021 156 1HB ASP 24 HB2 ASP 24 9.639 -5.624 -1.378 157 2HB ASP 24 HB1 ASP 24 10.421 -5.612 -2.998 158 H THR 25 HN THR 25 8.568 -5.091 -5.190 159 HA THR 25 HA THR 25 10.073 -3.150 -6.549 160 HB THR 25 HB THR 25 7.779 -4.815 -7.621 161 HG1 THR 25 HG1 THR 25 9.229 -6.257 -6.821 162 1HG2 THR 25 HG21 THR 25 10.234 -3.497 -9.002 163 2HG2 THR 25 HG22 THR 25 8.512 -3.013 -9.217 164 3HG2 THR 25 HG23 THR 25 9.071 -4.609 -9.811 165 H LEU 26 HN LEU 26 6.474 -3.448 -6.042 166 HA LEU 26 HA LEU 26 5.805 -1.121 -7.435 167 1HB LEU 26 HB2 LEU 26 4.448 -2.487 -5.042 168 2HB LEU 26 HB1 LEU 26 3.700 -1.127 -5.945 169 HG LEU 26 HG LEU 26 4.549 -3.740 -7.306 170 1HD1 LEU 26 HD11 LEU 26 2.203 -4.496 -7.126 171 2HD1 LEU 26 HD12 LEU 26 1.775 -3.040 -6.158 172 3HD1 LEU 26 HD13 LEU 26 2.918 -4.262 -5.495 173 1HD2 LEU 26 HD21 LEU 26 4.260 -1.814 -8.854 174 2HD2 LEU 26 HD22 LEU 26 2.621 -1.491 -8.178 175 3HD2 LEU 26 HD23 LEU 26 2.943 -3.019 -9.076 176 H CYS 27 HN CYS 27 6.602 -1.689 -4.002 177 HA CYS 27 HA CYS 27 6.114 0.867 -3.099 178 1HB CYS 27 HB2 CYS 27 6.679 -1.292 -1.742 179 2HB CYS 27 HB1 CYS 27 8.400 -0.885 -2.020 180 H LYS 28 HN LYS 28 9.135 -0.539 -4.520 181 HA LYS 28 HA LYS 28 10.677 1.775 -3.994 182 1HB LYS 28 HB2 LYS 28 11.081 -0.469 -6.053 183 2HB LYS 28 HB1 LYS 28 12.254 0.870 -5.799 184 1HG LYS 28 HG2 LYS 28 12.484 0.233 -3.389 185 2HG LYS 28 HG1 LYS 28 11.471 -1.203 -3.662 186 1HD LYS 28 HD2 LYS 28 14.175 -0.557 -4.994 187 2HD LYS 28 HD1 LYS 28 13.893 -1.753 -3.690 188 1HE LYS 28 HE2 LYS 28 12.760 -1.960 -6.572 189 2HE LYS 28 HE1 LYS 28 14.195 -2.843 -5.919 190 1HZ LYS 28 HZ1 LYS 28 12.771 -3.912 -4.325 191 2HZ LYS 28 HZ2 LYS 28 12.208 -4.172 -5.908 192 3HZ LYS 28 HZ3 LYS 28 11.417 -3.062 -4.896 193 H GLU 29 HN GLU 29 8.782 0.717 -6.901 194 HA GLU 29 HA GLU 29 9.774 2.933 -8.390 195 1HB GLU 29 HB2 GLU 29 8.254 2.313 -10.182 196 2HB GLU 29 HB1 GLU 29 9.148 0.885 -9.558 197 1HG GLU 29 HG2 GLU 29 7.087 0.281 -8.196 198 2HG GLU 29 HG1 GLU 29 6.203 1.637 -8.975 199 H LYS 30 HN LYS 30 6.927 2.487 -6.263 200 HA LYS 30 HA LYS 30 5.744 4.959 -7.144 201 1HB LYS 30 HB2 LYS 30 5.192 3.011 -4.875 202 2HB LYS 30 HB1 LYS 30 4.634 4.702 -4.685 203 1HG LYS 30 HG2 LYS 30 2.792 3.471 -5.579 204 2HG LYS 30 HG1 LYS 30 3.406 4.639 -6.794 205 1HD LYS 30 HD2 LYS 30 4.666 2.647 -7.883 206 2HD LYS 30 HD1 LYS 30 3.772 1.580 -6.755 207 1HE LYS 30 HE2 LYS 30 2.652 1.623 -8.959 208 2HE LYS 30 HE1 LYS 30 1.588 2.465 -7.758 209 1HZ LYS 30 HZ1 LYS 30 1.770 3.642 -9.848 210 2HZ LYS 30 HZ2 LYS 30 3.451 3.788 -9.664 211 3HZ LYS 30 HZ3 LYS 30 2.408 4.558 -8.569 212 H GLY 31 HN GLY 31 7.756 3.899 -4.309 213 1HA GLY 31 HA2 GLY 31 9.653 5.262 -4.046 214 2HA GLY 31 HA1 GLY 31 8.611 6.734 -4.124 215 H GLY 32 HN GLY 32 8.291 3.568 -2.349 216 1HA GLY 32 HA2 GLY 32 8.660 5.080 0.155 217 2HA GLY 32 HA1 GLY 32 7.876 3.458 -0.049 218 H THR 33 HN THR 33 10.405 4.221 1.559 219 HA THR 33 HA THR 33 12.532 3.372 -0.211 220 HB THR 33 HB THR 33 14.014 4.104 1.668 221 HG1 THR 33 HG1 THR 33 12.610 3.730 3.390 222 1HG2 THR 33 HG21 THR 33 13.496 6.523 1.434 223 2HG2 THR 33 HG22 THR 33 11.820 6.164 0.890 224 3HG2 THR 33 HG23 THR 33 13.223 5.704 -0.145 225 H SER 34 HN SER 34 10.322 1.706 1.772 226 HA SER 34 HA SER 34 11.941 -0.559 1.617 227 1HB SER 34 HB2 SER 34 11.025 0.253 4.473 228 2HB SER 34 HB1 SER 34 11.926 -1.231 4.006 229 HG SER 34 HG SER 34 13.361 0.780 3.136 230 H GLY 35 HN GLY 35 10.191 -2.435 2.228 231 1HA GLY 35 HA2 GLY 35 7.599 -1.525 2.528 232 2HA GLY 35 HA1 GLY 35 8.055 -1.904 0.786 233 H HIS 36 HN HIS 36 6.266 -3.625 2.073 234 HA HIS 36 HA HIS 36 7.754 -6.010 2.467 235 1HB HIS 36 HB2 HIS 36 6.142 -4.897 4.872 236 2HB HIS 36 HB1 HIS 36 6.899 -6.525 4.759 237 HD1 HIS 36 HD1 HIS 36 7.652 -3.034 5.757 238 HD2 HIS 36 HD2 HIS 36 9.811 -6.528 4.879 239 HE1 HIS 36 HE1 HIS 36 9.994 -2.712 6.647 240 HE2 HIS 36 HE2 HIS 36 11.263 -4.841 6.103 241 H CYS 37 HN CYS 37 5.092 -7.021 3.927 242 HA CYS 37 HA CYS 37 3.170 -6.500 1.900 243 1HB CYS 37 HB2 CYS 37 4.514 -8.371 0.836 244 2HB CYS 37 HB1 CYS 37 4.545 -9.242 2.389 245 H GLY 38 HN GLY 38 1.092 -7.597 3.056 246 1HA GLY 38 HA2 GLY 38 1.268 -8.552 5.570 247 2HA GLY 38 HA1 GLY 38 1.144 -6.722 5.631 248 H PHE 39 HN PHE 39 -1.276 -7.417 6.373 249 HA PHE 39 HA PHE 39 -2.926 -7.583 4.020 250 1HB PHE 39 HB2 PHE 39 -2.652 -9.947 5.171 251 2HB PHE 39 HB1 PHE 39 -3.306 -9.211 6.663 252 HD1 PHE 39 HD1 PHE 39 -5.718 -8.186 6.499 253 HD2 PHE 39 HD2 PHE 39 -4.070 -10.906 3.609 254 HE1 PHE 39 HE1 PHE 39 -7.991 -8.856 5.830 255 HE2 PHE 39 HE2 PHE 39 -6.343 -11.581 2.940 256 HZ PHE 39 HZ PHE 39 -8.319 -10.582 4.075 257 H LYS 40 HN LYS 40 -4.734 -6.102 4.568 258 HA LYS 40 HA LYS 40 -4.291 -4.682 7.120 259 1HB LYS 40 HB2 LYS 40 -3.829 -3.272 5.058 260 2HB LYS 40 HB1 LYS 40 -5.539 -3.489 4.572 261 1HG LYS 40 HG2 LYS 40 -4.691 -2.383 7.333 262 2HG LYS 40 HG1 LYS 40 -4.797 -1.330 5.888 263 1HD LYS 40 HD2 LYS 40 -7.188 -1.708 5.649 264 2HD LYS 40 HD1 LYS 40 -7.196 -2.947 6.945 265 1HE LYS 40 HE2 LYS 40 -6.571 -1.291 8.662 266 2HE LYS 40 HE1 LYS 40 -6.462 0.013 7.415 267 1HZ LYS 40 HZ1 LYS 40 -8.538 0.032 8.600 268 2HZ LYS 40 HZ2 LYS 40 -8.900 -1.548 8.084 269 3HZ LYS 40 HZ3 LYS 40 -8.782 -0.278 6.955 270 H VAL 41 HN VAL 41 -5.842 -5.545 8.464 271 HA VAL 41 HA VAL 41 -8.080 -6.864 7.288 272 HB VAL 41 HB VAL 41 -7.810 -6.296 10.263 273 1HG1 VAL 41 HG11 VAL 41 -9.927 -7.338 9.351 274 2HG1 VAL 41 HG12 VAL 41 -8.995 -8.518 10.344 275 3HG1 VAL 41 HG13 VAL 41 -8.948 -8.625 8.548 276 1HG2 VAL 41 HG21 VAL 41 -6.304 -8.441 8.609 277 2HG2 VAL 41 HG22 VAL 41 -6.483 -8.449 10.397 278 3HG2 VAL 41 HG23 VAL 41 -5.559 -7.134 9.614 279 H GLY 42 HN GLY 42 -10.005 -5.859 6.801 280 1HA GLY 42 HA2 GLY 42 -11.615 -4.153 7.481 281 2HA GLY 42 HA1 GLY 42 -10.200 -3.033 7.627 282 H HIS 43 HN HIS 43 -9.001 -4.839 5.292 283 HA HIS 43 HA HIS 43 -10.819 -4.035 3.135 284 1HB HIS 43 HB2 HIS 43 -7.805 -3.456 3.339 285 2HB HIS 43 HB1 HIS 43 -8.597 -3.714 1.755 286 HD1 HIS 43 HD1 HIS 43 -9.289 -1.743 0.608 287 HD2 HIS 43 HD2 HIS 43 -9.105 -1.027 4.740 288 HE1 HIS 43 HE1 HIS 43 -9.646 0.723 0.942 289 HE2 HIS 43 HE2 HIS 43 -9.538 1.130 3.456 290 H GLY 44 HN GLY 44 -7.499 -5.634 3.486 291 1HA GLY 44 HA2 GLY 44 -8.253 -8.159 2.897 292 2HA GLY 44 HA1 GLY 44 -8.199 -7.232 1.328 293 H LEU 45 HN LEU 45 -6.330 -8.654 0.890 294 HA LEU 45 HA LEU 45 -3.866 -8.490 2.242 295 1HB LEU 45 HB2 LEU 45 -4.631 -10.361 0.682 296 2HB LEU 45 HB1 LEU 45 -4.667 -9.177 -0.662 297 HG LEU 45 HG LEU 45 -2.172 -8.921 -0.479 298 1HD1 LEU 45 HD11 LEU 45 -0.845 -10.680 0.734 299 2HD1 LEU 45 HD12 LEU 45 -2.351 -11.294 1.497 300 3HD1 LEU 45 HD13 LEU 45 -1.751 -9.632 1.880 301 1HD2 LEU 45 HD21 LEU 45 -3.201 -10.433 -2.156 302 2HD2 LEU 45 HD22 LEU 45 -3.241 -11.775 -0.957 303 3HD2 LEU 45 HD23 LEU 45 -1.663 -11.140 -1.536 304 H ALA 46 HN ALA 46 -1.937 -6.990 1.546 305 HA ALA 46 HA ALA 46 -2.765 -4.849 -0.211 306 1HB ALA 46 HB1 ALA 46 -2.338 -3.126 1.580 307 2HB ALA 46 HB2 ALA 46 -2.001 -4.450 2.772 308 3HB ALA 46 HB3 ALA 46 -3.656 -4.223 2.136 309 H CYS 47 HN CYS 47 -0.559 -3.176 0.094 310 HA CYS 47 HA CYS 47 1.687 -5.117 0.398 311 1HB CYS 47 HB2 CYS 47 1.395 -2.737 -1.503 312 2HB CYS 47 HB1 CYS 47 3.005 -3.279 -0.922 313 H TRP 48 HN TRP 48 3.590 -3.845 1.492 314 HA TRP 48 HA TRP 48 2.393 -1.726 3.171 315 1HB TRP 48 HB2 TRP 48 2.584 -3.655 4.634 316 2HB TRP 48 HB1 TRP 48 4.213 -4.034 3.986 317 HD1 TRP 48 HD1 TRP 48 6.239 -2.346 4.671 318 HE1 TRP 48 HE1 TRP 48 6.608 -0.739 6.566 319 HE3 TRP 48 HE3 TRP 48 1.463 -2.316 6.413 320 HZ2 TRP 48 HZ2 TRP 48 4.962 0.440 8.690 321 HZ3 TRP 48 HZ3 TRP 48 0.895 -0.926 8.372 322 HH2 TRP 48 HH2 TRP 48 2.627 0.442 9.496 323 H CYS 49 HN CYS 49 3.846 0.088 3.586 324 HA CYS 49 HA CYS 49 6.390 0.000 2.210 325 1HB CYS 49 HB2 CYS 49 4.164 2.007 1.576 326 2HB CYS 49 HB1 CYS 49 5.893 2.441 1.416 327 H ASN 50 HN ASN 50 7.865 1.539 3.112 328 HA ASN 50 HA ASN 50 6.836 3.001 5.455 329 1HB ASN 50 HB2 ASN 50 9.576 1.660 4.986 330 2HB ASN 50 HB1 ASN 50 9.351 2.971 6.187 331 1HD2 ASN 50 HD22 ASN 50 8.258 2.547 8.159 332 2HD2 ASN 50 HD21 ASN 50 7.864 0.944 8.676 333 H ALA 51 HN ALA 51 7.406 5.151 5.444 334 HA ALA 51 HA ALA 51 8.042 7.072 4.840 335 1HB ALA 51 HB1 ALA 51 10.349 6.315 5.342 336 2HB ALA 51 HB2 ALA 51 10.312 7.552 4.027 337 3HB ALA 51 HB3 ALA 51 10.527 5.817 3.619 338 H LEU 52 HN LEU 52 6.096 6.677 3.440 339 HA LEU 52 HA LEU 52 6.765 7.038 0.603 340 1HB LEU 52 HB2 LEU 52 4.100 6.699 2.083 341 2HB LEU 52 HB1 LEU 52 4.169 7.310 0.399 342 HG LEU 52 HG LEU 52 5.396 4.631 1.242 343 1HD1 LEU 52 HD11 LEU 52 2.574 5.194 0.126 344 2HD1 LEU 52 HD12 LEU 52 2.989 4.511 1.750 345 3HD1 LEU 52 HD13 LEU 52 3.332 3.566 0.255 346 1HD2 LEU 52 HD21 LEU 52 6.163 5.680 -0.969 347 2HD2 LEU 52 HD22 LEU 52 4.476 5.579 -1.557 348 3HD2 LEU 52 HD23 LEU 52 5.375 4.077 -1.139 349 HA PRO 53 HA PRO 53 6.431 11.399 1.589 350 1HB PRO 53 HB2 PRO 53 5.322 11.541 -1.285 351 2HB PRO 53 HB1 PRO 53 6.521 12.659 -0.518 352 1HG PRO 53 HG1 PRO 53 7.375 10.697 -2.212 353 2HG PRO 53 HG2 PRO 53 8.253 10.933 -0.642 354 1HD PRO 53 HD1 PRO 53 6.118 8.827 -1.313 355 2HD PRO 53 HD2 PRO 53 7.675 8.639 -0.414 356 H ASP 54 HN ASP 54 4.736 13.161 1.777 357 HA ASP 54 HA ASP 54 2.524 11.995 2.930 358 1HB ASP 54 HB2 ASP 54 3.084 14.890 2.091 359 2HB ASP 54 HB1 ASP 54 1.756 14.401 3.222 360 H ASN 55 HN ASN 55 2.999 13.156 -0.330 361 HA ASN 55 HA ASN 55 0.219 13.616 -0.854 362 1HB ASN 55 HB2 ASN 55 1.003 13.998 -3.226 363 2HB ASN 55 HB1 ASN 55 1.882 15.009 -2.032 364 1HD2 ASN 55 HD22 ASN 55 2.295 12.587 -4.540 365 2HD2 ASN 55 HD21 ASN 55 3.989 12.305 -4.285 366 H VAL 56 HN VAL 56 1.952 10.741 -0.403 367 HA VAL 56 HA VAL 56 0.666 9.391 -2.642 368 HB VAL 56 HB VAL 56 2.292 8.119 -0.387 369 1HG1 VAL 56 HG11 VAL 56 0.822 6.560 -1.678 370 2HG1 VAL 56 HG12 VAL 56 2.538 6.302 -2.138 371 3HG1 VAL 56 HG13 VAL 56 1.448 7.221 -3.235 372 1HG2 VAL 56 HG21 VAL 56 3.704 9.855 -1.466 373 2HG2 VAL 56 HG22 VAL 56 3.213 9.301 -3.096 374 3HG2 VAL 56 HG23 VAL 56 4.203 8.237 -2.021 375 H GLY 57 HN GLY 57 -1.396 8.528 -2.397 376 1HA GLY 57 HA2 GLY 57 -2.543 8.644 0.287 377 2HA GLY 57 HA1 GLY 57 -3.399 8.501 -1.313 378 H ILE 58 HN ILE 58 -3.587 6.711 1.114 379 HA ILE 58 HA ILE 58 -2.496 4.246 0.025 380 HB ILE 58 HB ILE 58 -1.601 3.691 2.263 381 1HG1 ILE 58 HG12 ILE 58 -1.844 6.682 2.961 382 2HG1 ILE 58 HG11 ILE 58 -2.992 5.441 3.563 383 1HG2 ILE 58 HG21 ILE 58 0.509 4.862 1.981 384 2HG2 ILE 58 HG22 ILE 58 -0.277 6.227 1.112 385 3HG2 ILE 58 HG23 ILE 58 -0.183 4.601 0.345 386 1HD1 ILE 58 HD11 ILE 58 -1.137 4.164 4.599 387 2HD1 ILE 58 HD12 ILE 58 -1.224 5.846 5.246 388 3HD1 ILE 58 HD13 ILE 58 0.056 5.407 4.055 389 H ILE 59 HN ILE 59 -3.312 2.916 2.608 390 HA ILE 59 HA ILE 59 -6.069 2.567 2.055 391 HB ILE 59 HB ILE 59 -4.260 1.676 4.357 392 1HG1 ILE 59 HG12 ILE 59 -4.907 -0.608 3.695 393 2HG1 ILE 59 HG11 ILE 59 -6.019 0.013 2.436 394 1HG2 ILE 59 HG21 ILE 59 -7.335 1.408 4.192 395 2HG2 ILE 59 HG22 ILE 59 -6.362 2.120 5.534 396 3HG2 ILE 59 HG23 ILE 59 -6.303 0.360 5.214 397 1HD1 ILE 59 HD11 ILE 59 -3.078 0.773 2.267 398 2HD1 ILE 59 HD12 ILE 59 -4.288 0.518 0.969 399 3HD1 ILE 59 HD13 ILE 59 -3.566 -0.888 1.800 400 H VAL 60 HN VAL 60 -7.770 3.649 2.881 401 HA VAL 60 HA VAL 60 -7.284 5.601 5.039 402 HB VAL 60 HB VAL 60 -8.982 5.644 2.484 403 1HG1 VAL 60 HG11 VAL 60 -9.855 7.866 3.242 404 2HG1 VAL 60 HG12 VAL 60 -9.203 7.527 4.899 405 3HG1 VAL 60 HG13 VAL 60 -10.485 6.467 4.172 406 1HG2 VAL 60 HG21 VAL 60 -7.706 7.710 1.981 407 2HG2 VAL 60 HG22 VAL 60 -6.600 6.322 2.214 408 3HG2 VAL 60 HG23 VAL 60 -6.786 7.548 3.524 409 H GLU 61 HN GLU 61 -9.019 5.567 6.602 410 HA GLU 61 HA GLU 61 -10.508 4.704 7.909 411 1HB GLU 61 HB2 GLU 61 -11.697 5.805 5.836 412 2HB GLU 61 HB1 GLU 61 -12.145 4.158 5.381 413 1HG GLU 61 HG2 GLU 61 -13.998 5.314 6.518 414 2HG GLU 61 HG1 GLU 61 -13.453 3.979 7.586 415 H GLY 62 HN GLY 62 -12.620 2.603 6.992 416 1HA GLY 62 HA2 GLY 62 -11.166 0.419 5.958 417 2HA GLY 62 HA1 GLY 62 -12.002 0.171 7.590 418 H GLU 63 HN GLU 63 -12.604 0.470 4.160 419 HA GLU 63 HA GLU 63 -15.361 1.283 4.673 420 1HB GLU 63 HB2 GLU 63 -14.105 3.421 4.471 421 2HB GLU 63 HB1 GLU 63 -13.382 2.879 2.928 422 1HG GLU 63 HG2 GLU 63 -15.724 2.852 1.904 423 2HG GLU 63 HG1 GLU 63 -16.380 3.456 3.471 424 H LYS 64 HN LYS 64 -13.218 1.249 1.715 425 HA LYS 64 HA LYS 64 -14.280 -1.173 0.833 426 1HB LYS 64 HB2 LYS 64 -16.284 0.643 0.534 427 2HB LYS 64 HB1 LYS 64 -15.249 1.285 -0.776 428 1HG LYS 64 HG2 LYS 64 -15.325 -1.187 -1.722 429 2HG LYS 64 HG1 LYS 64 -16.610 -1.478 -0.512 430 1HD LYS 64 HD2 LYS 64 -17.993 0.336 -1.521 431 2HD LYS 64 HD1 LYS 64 -16.665 0.748 -2.660 432 1HE LYS 64 HE2 LYS 64 -18.196 -1.945 -2.602 433 2HE LYS 64 HE1 LYS 64 -18.449 -0.595 -3.781 434 1HZ LYS 64 HZ1 LYS 64 -16.125 -0.869 -4.453 435 2HZ LYS 64 HZ2 LYS 64 -17.064 -2.262 -4.715 436 3HZ LYS 64 HZ3 LYS 64 -15.977 -2.201 -3.414 437 H CYS 65 HN CYS 65 -13.689 -0.654 -1.895 438 HA CYS 65 HA CYS 65 -11.209 0.752 -1.984 439 1HB CYS 65 HB2 CYS 65 -10.382 -1.562 -1.700 440 2HB CYS 65 HB1 CYS 65 -11.749 -2.210 -2.616 441 H HIS 66 HN HIS 66 -11.456 1.930 -4.053 442 HA HIS 66 HA HIS 66 -13.399 1.144 -5.919 443 1HB HIS 66 HB2 HIS 66 -14.662 3.417 -5.680 444 2HB HIS 66 HB1 HIS 66 -15.077 2.194 -4.432 445 HD1 HIS 66 HD1 HIS 66 -13.863 5.633 -4.755 446 HD2 HIS 66 HD2 HIS 66 -13.770 2.627 -1.822 447 HE1 HIS 66 HE1 HIS 66 -13.285 6.744 -2.556 448 HE2 HIS 66 HE2 HIS 66 -13.286 4.911 -0.807 449 H SER 67 HN SER 67 -13.055 2.991 -7.774 450 HA SER 67 HA SER 67 -10.815 4.596 -7.346 451 1HB SER 67 HB2 SER 67 -10.739 2.354 -9.498 452 2HB SER 67 HB1 SER 67 -9.472 3.606 -9.227 453 HG SER 67 HG SER 67 -8.887 2.559 -7.330 454 1HN NH2 68 H1 NH2 68 -10.962 5.865 -9.635 455 2HN NH2 68 H2 NH2 68 -12.559 5.927 -10.310 Start of MODEL 35 1 1H VAL 1 HT1 VAL 1 6.542 12.588 6.633 2 2H VAL 1 HT2 VAL 1 5.198 13.314 5.894 3 3H VAL 1 HT3 VAL 1 6.735 13.446 5.176 4 HA VAL 1 HA VAL 1 5.345 11.884 4.045 5 HB VAL 1 HB VAL 1 6.906 9.962 3.990 6 1HG1 VAL 1 HG11 VAL 1 7.495 12.138 2.866 7 2HG1 VAL 1 HG12 VAL 1 8.943 11.221 3.406 8 3HG1 VAL 1 HG13 VAL 1 8.392 12.655 4.342 9 1HG2 VAL 1 HG21 VAL 1 7.295 9.592 6.417 10 2HG2 VAL 1 HG22 VAL 1 8.137 11.183 6.555 11 3HG2 VAL 1 HG23 VAL 1 8.856 9.861 5.575 12 H ARG 2 HN ARG 2 4.620 9.442 4.131 13 HA ARG 2 HA ARG 2 3.334 8.944 6.754 14 1HB ARG 2 HB2 ARG 2 2.641 7.653 4.036 15 2HB ARG 2 HB1 ARG 2 1.791 7.420 5.596 16 1HG ARG 2 HG2 ARG 2 0.362 9.041 5.006 17 2HG ARG 2 HG1 ARG 2 1.687 10.215 5.211 18 1HD ARG 2 HD2 ARG 2 1.471 10.773 3.009 19 2HD ARG 2 HD1 ARG 2 2.129 9.161 2.574 20 HE ARG 2 HE ARG 2 -0.021 8.593 1.812 21 1HH1 ARG 2 HH21 ARG 2 -0.388 11.367 4.059 22 2HH1 ARG 2 HH22 ARG 2 -2.082 11.527 3.746 23 1HH2 ARG 2 HH11 ARG 2 -2.250 8.827 1.457 24 2HH2 ARG 2 HH12 ARG 2 -3.158 10.071 2.253 25 H ASP 3 HN ASP 3 3.357 6.577 7.442 26 HA ASP 3 HA ASP 3 4.986 4.865 5.814 27 1HB ASP 3 HB2 ASP 3 4.952 4.692 8.923 28 2HB ASP 3 HB1 ASP 3 5.840 3.629 7.778 29 H GLY 4 HN GLY 4 3.354 3.073 5.485 30 1HA GLY 4 HA2 GLY 4 1.352 2.791 7.397 31 2HA GLY 4 HA1 GLY 4 0.770 3.673 5.900 32 H TYR 5 HN TYR 5 -0.399 1.370 5.758 33 HA TYR 5 HA TYR 5 1.325 -0.367 4.154 34 1HB TYR 5 HB2 TYR 5 -1.651 -0.465 4.934 35 2HB TYR 5 HB1 TYR 5 -1.016 -1.412 3.537 36 HD1 TYR 5 HD1 TYR 5 0.510 -3.241 3.848 37 HD2 TYR 5 HD2 TYR 5 -1.025 -1.077 7.235 38 HE1 TYR 5 HE1 TYR 5 1.139 -5.100 5.295 39 HE2 TYR 5 HE2 TYR 5 -0.388 -2.942 8.710 40 HH TYR 5 HH TYR 5 0.816 -6.039 7.413 41 H ILE 6 HN ILE 6 1.007 -0.290 1.832 42 HA ILE 6 HA ILE 6 -0.120 2.262 0.966 43 HB ILE 6 HB ILE 6 2.159 2.067 0.300 44 1HG1 ILE 6 HG12 ILE 6 0.303 1.627 -2.120 45 2HG1 ILE 6 HG11 ILE 6 0.573 3.176 -1.256 46 1HG2 ILE 6 HG21 ILE 6 2.859 0.152 -1.274 47 2HG2 ILE 6 HG22 ILE 6 1.319 -0.664 -0.818 48 3HG2 ILE 6 HG23 ILE 6 2.557 -0.281 0.433 49 1HD1 ILE 6 HD11 ILE 6 3.070 2.976 -1.860 50 2HD1 ILE 6 HD12 ILE 6 1.953 3.183 -3.255 51 3HD1 ILE 6 HD13 ILE 6 2.635 1.561 -2.885 52 H ALA 7 HN ALA 7 -1.635 2.258 -0.632 53 HA ALA 7 HA ALA 7 -3.256 -0.155 -0.871 54 1HB ALA 7 HB1 ALA 7 -4.386 1.883 0.226 55 2HB ALA 7 HB2 ALA 7 -5.155 1.449 -1.316 56 3HB ALA 7 HB3 ALA 7 -4.012 2.844 -1.227 57 H GLN 8 HN GLN 8 -4.618 1.794 -3.000 58 HA GLN 8 HA GLN 8 -2.570 2.240 -4.854 59 1HB GLN 8 HB2 GLN 8 -5.289 0.980 -5.687 60 2HB GLN 8 HB1 GLN 8 -3.984 1.534 -6.794 61 1HG GLN 8 HG2 GLN 8 -2.478 -0.286 -5.792 62 2HG GLN 8 HG1 GLN 8 -3.876 -0.850 -4.822 63 1HE2 GLN 8 HE22 GLN 8 -2.352 -0.989 -7.956 64 2HE2 GLN 8 HE21 GLN 8 -3.573 -1.945 -8.747 65 HA PRO 9 HA PRO 9 -5.309 5.674 -3.970 66 1HB PRO 9 HB2 PRO 9 -5.091 6.387 -6.966 67 2HB PRO 9 HB1 PRO 9 -4.901 7.506 -5.555 68 1HG PRO 9 HG1 PRO 9 -2.688 6.587 -6.869 69 2HG PRO 9 HG2 PRO 9 -2.701 6.575 -5.053 70 1HD PRO 9 HD1 PRO 9 -3.263 4.212 -6.943 71 2HD PRO 9 HD2 PRO 9 -2.236 4.285 -5.434 72 H GLU 10 HN GLU 10 -8.644 5.141 -5.332 73 HA GLU 10 HA GLU 10 -7.185 7.352 -4.315 74 1HB GLU 10 HB2 GLU 10 -10.080 6.465 -3.697 75 2HB GLU 10 HB1 GLU 10 -9.391 8.096 -3.467 76 1HG GLU 10 HG2 GLU 10 -9.910 6.669 -6.163 77 2HG GLU 10 HG1 GLU 10 -10.866 8.016 -5.452 78 H ASN 11 HN ASN 11 -8.357 4.185 -3.222 79 HA ASN 11 HA ASN 11 -6.966 4.114 -0.896 80 1HB ASN 11 HB2 ASN 11 -9.075 5.281 0.069 81 2HB ASN 11 HB1 ASN 11 -10.101 4.103 -0.835 82 1HD2 ASN 11 HD21 ASN 11 -10.997 2.965 1.009 83 2HD2 ASN 11 HD22 ASN 11 -10.004 2.415 2.374 84 H CYS 12 HN CYS 12 -7.310 1.713 -0.541 85 HA CYS 12 HA CYS 12 -8.893 -0.114 -1.575 86 1HB CYS 12 HB2 CYS 12 -6.736 0.352 -3.711 87 2HB CYS 12 HB1 CYS 12 -7.560 -1.230 -3.509 88 H VAL 13 HN VAL 13 -6.389 -1.824 -2.334 89 HA VAL 13 HA VAL 13 -4.689 -1.502 -0.114 90 HB VAL 13 HB VAL 13 -4.684 -4.043 0.222 91 1HG1 VAL 13 HG11 VAL 13 -6.764 -4.093 1.707 92 2HG1 VAL 13 HG12 VAL 13 -7.238 -2.494 1.036 93 3HG1 VAL 13 HG13 VAL 13 -5.712 -2.675 1.971 94 1HG2 VAL 13 HG21 VAL 13 -6.650 -5.358 -0.407 95 2HG2 VAL 13 HG22 VAL 13 -5.909 -4.665 -1.884 96 3HG2 VAL 13 HG23 VAL 13 -7.416 -3.931 -1.209 97 H TYR 14 HN TYR 14 -2.783 -3.053 -1.024 98 HA TYR 14 HA TYR 14 -2.899 -2.871 -3.928 99 1HB TYR 14 HB2 TYR 14 -0.727 -2.772 -1.981 100 2HB TYR 14 HB1 TYR 14 -0.457 -4.236 -2.950 101 HD1 TYR 14 HD1 TYR 14 0.767 -1.199 -2.757 102 HD2 TYR 14 HD2 TYR 14 -1.412 -3.443 -5.708 103 HE1 TYR 14 HE1 TYR 14 1.708 0.212 -4.513 104 HE2 TYR 14 HE2 TYR 14 -0.460 -2.042 -7.473 105 HH TYR 14 HH TYR 14 1.897 0.540 -6.793 106 H HIS 15 HN HIS 15 -1.690 -5.245 -4.779 107 HA HIS 15 HA HIS 15 -3.345 -7.336 -3.556 108 1HB HIS 15 HB2 HIS 15 -2.659 -6.896 -6.540 109 2HB HIS 15 HB1 HIS 15 -3.428 -8.368 -5.843 110 HD1 HIS 15 HD1 HIS 15 -4.178 -4.605 -6.106 111 HD2 HIS 15 HD2 HIS 15 -6.180 -8.282 -5.815 112 HE1 HIS 15 HE1 HIS 15 -6.655 -4.129 -6.306 113 HE2 HIS 15 HE2 HIS 15 -7.827 -6.372 -6.137 114 H CYS 16 HN CYS 16 -1.462 -7.471 -2.142 115 HA CYS 16 HA CYS 16 0.944 -8.428 -3.532 116 1HB CYS 16 HB2 CYS 16 1.079 -6.554 -1.714 117 2HB CYS 16 HB1 CYS 16 0.630 -7.812 -0.535 118 H PHE 17 HN PHE 17 1.765 -10.212 -1.375 119 HA PHE 17 HA PHE 17 -0.286 -12.230 -1.498 120 1HB PHE 17 HB2 PHE 17 2.704 -12.552 -2.349 121 2HB PHE 17 HB1 PHE 17 1.373 -13.729 -2.584 122 HD1 PHE 17 HD1 PHE 17 3.295 -11.038 -4.006 123 HD2 PHE 17 HD2 PHE 17 -0.604 -12.863 -4.216 124 HE1 PHE 17 HE1 PHE 17 2.968 -10.089 -6.252 125 HE2 PHE 17 HE2 PHE 17 -0.917 -11.912 -6.469 126 HZ PHE 17 HZ PHE 17 0.859 -10.522 -7.495 127 HA PRO 18 HA PRO 18 2.308 -12.813 2.272 128 1HB PRO 18 HB2 PRO 18 2.402 -15.782 1.439 129 2HB PRO 18 HB1 PRO 18 2.084 -15.099 3.081 130 1HG PRO 18 HG1 PRO 18 0.028 -16.042 1.535 131 2HG PRO 18 HG2 PRO 18 -0.173 -14.465 2.420 132 1HD PRO 18 HD1 PRO 18 0.564 -14.880 -0.540 133 2HD PRO 18 HD2 PRO 18 -0.628 -13.725 0.202 134 H GLY 19 HN GLY 19 3.810 -11.831 0.057 135 1HA GLY 19 HA2 GLY 19 6.356 -12.840 0.616 136 2HA GLY 19 HA1 GLY 19 5.721 -13.377 -1.019 137 H SER 20 HN SER 20 7.689 -11.086 -0.006 138 HA SER 20 HA SER 20 6.234 -8.731 -0.726 139 1HB SER 20 HB2 SER 20 9.206 -9.120 0.015 140 2HB SER 20 HB1 SER 20 8.257 -7.587 0.111 141 HG SER 20 HG SER 20 8.581 -8.856 2.087 142 H SER 21 HN SER 21 6.733 -10.684 -2.970 143 HA SER 21 HA SER 21 9.169 -10.279 -4.202 144 1HB SER 21 HB2 SER 21 7.652 -11.377 -6.171 145 2HB SER 21 HB1 SER 21 8.092 -12.317 -4.699 146 HG SER 21 HG SER 21 5.859 -12.388 -5.187 147 H GLY 22 HN GLY 22 5.885 -9.200 -5.165 148 1HA GLY 22 HA2 GLY 22 6.964 -7.456 -7.176 149 2HA GLY 22 HA1 GLY 22 5.247 -7.627 -6.640 150 H CYS 23 HN CYS 23 6.044 -7.219 -3.814 151 HA CYS 23 HA CYS 23 5.348 -4.516 -3.729 152 1HB CYS 23 HB2 CYS 23 4.672 -6.097 -2.023 153 2HB CYS 23 HB1 CYS 23 6.371 -6.358 -1.524 154 H ASP 24 HN ASP 24 8.511 -6.141 -3.543 155 HA ASP 24 HA ASP 24 10.057 -4.044 -2.632 156 1HB ASP 24 HB2 ASP 24 10.890 -6.383 -3.107 157 2HB ASP 24 HB1 ASP 24 10.782 -6.054 -4.865 158 H THR 25 HN THR 25 9.311 -4.802 -6.139 159 HA THR 25 HA THR 25 10.260 -2.401 -7.116 160 HB THR 25 HB THR 25 8.388 -3.184 -8.962 161 HG1 THR 25 HG1 THR 25 7.720 -4.934 -7.474 162 1HG2 THR 25 HG21 THR 25 10.860 -2.975 -9.298 163 2HG2 THR 25 HG22 THR 25 10.284 -4.569 -9.920 164 3HG2 THR 25 HG23 THR 25 11.139 -4.476 -8.336 165 H LEU 26 HN LEU 26 6.914 -3.299 -6.020 166 HA LEU 26 HA LEU 26 5.730 -1.031 -7.142 167 1HB LEU 26 HB2 LEU 26 4.804 -2.659 -4.713 168 2HB LEU 26 HB1 LEU 26 3.823 -1.435 -5.552 169 HG LEU 26 HG LEU 26 4.920 -3.928 -6.965 170 1HD1 LEU 26 HD11 LEU 26 3.400 -4.587 -5.116 171 2HD1 LEU 26 HD12 LEU 26 2.627 -4.868 -6.721 172 3HD1 LEU 26 HD13 LEU 26 2.143 -3.450 -5.718 173 1HD2 LEU 26 HD21 LEU 26 3.211 -3.390 -8.697 174 2HD2 LEU 26 HD22 LEU 26 4.444 -2.092 -8.538 175 3HD2 LEU 26 HD23 LEU 26 2.806 -1.866 -7.828 176 H CYS 27 HN CYS 27 7.014 -1.670 -3.845 177 HA CYS 27 HA CYS 27 6.150 0.778 -2.833 178 1HB CYS 27 HB2 CYS 27 6.968 -1.227 -1.471 179 2HB CYS 27 HB1 CYS 27 8.645 -0.747 -1.889 180 H LYS 28 HN LYS 28 9.168 -0.120 -4.605 181 HA LYS 28 HA LYS 28 10.430 2.356 -4.099 182 1HB LYS 28 HB2 LYS 28 10.833 0.342 -6.369 183 2HB LYS 28 HB1 LYS 28 11.844 1.818 -6.146 184 1HG LYS 28 HG2 LYS 28 12.525 1.069 -3.880 185 2HG LYS 28 HG1 LYS 28 11.590 -0.444 -4.076 186 1HD LYS 28 HD2 LYS 28 13.982 0.453 -5.806 187 2HD LYS 28 HD1 LYS 28 14.007 -0.773 -4.487 188 1HE LYS 28 HE2 LYS 28 12.409 -2.224 -5.802 189 2HE LYS 28 HE1 LYS 28 12.458 -1.028 -7.161 190 1HZ LYS 28 HZ1 LYS 28 13.957 -2.840 -7.505 191 2HZ LYS 28 HZ2 LYS 28 14.774 -2.525 -6.054 192 3HZ LYS 28 HZ3 LYS 28 14.828 -1.395 -7.319 193 H GLU 29 HN GLU 29 8.404 1.203 -6.896 194 HA GLU 29 HA GLU 29 8.912 3.569 -8.346 195 1HB GLU 29 HB2 GLU 29 7.191 2.862 -9.936 196 2HB GLU 29 HB1 GLU 29 8.267 1.499 -9.491 197 1HG GLU 29 HG2 GLU 29 6.492 0.735 -7.834 198 2HG GLU 29 HG1 GLU 29 5.391 2.010 -8.464 199 H LYS 30 HN LYS 30 6.642 2.904 -5.774 200 HA LYS 30 HA LYS 30 5.104 5.305 -6.413 201 1HB LYS 30 HB2 LYS 30 4.820 3.250 -4.156 202 2HB LYS 30 HB1 LYS 30 3.721 4.646 -4.422 203 1HG LYS 30 HG2 LYS 30 4.215 2.329 -6.406 204 2HG LYS 30 HG1 LYS 30 2.821 2.438 -5.288 205 1HD LYS 30 HD2 LYS 30 3.462 4.397 -7.597 206 2HD LYS 30 HD1 LYS 30 2.285 3.054 -7.664 207 1HE LYS 30 HE2 LYS 30 2.062 5.513 -5.785 208 2HE LYS 30 HE1 LYS 30 1.138 5.234 -7.313 209 1HZ LYS 30 HZ1 LYS 30 1.038 3.570 -4.855 210 2HZ LYS 30 HZ2 LYS 30 0.222 3.237 -6.307 211 3HZ LYS 30 HZ3 LYS 30 -0.152 4.639 -5.426 212 H GLY 31 HN GLY 31 8.046 4.593 -4.913 213 1HA GLY 31 HA2 GLY 31 9.393 6.186 -4.229 214 2HA GLY 31 HA1 GLY 31 8.002 7.300 -3.942 215 H GLY 32 HN GLY 32 8.214 3.973 -2.581 216 1HA GLY 32 HA2 GLY 32 8.827 5.188 0.043 217 2HA GLY 32 HA1 GLY 32 7.955 3.635 -0.291 218 H THR 33 HN THR 33 10.348 3.720 1.362 219 HA THR 33 HA THR 33 12.581 3.335 -0.406 220 HB THR 33 HB THR 33 13.804 2.915 1.794 221 HG1 THR 33 HG1 THR 33 12.210 2.179 3.121 222 1HG2 THR 33 HG21 THR 33 13.623 5.179 0.728 223 2HG2 THR 33 HG22 THR 33 13.526 5.320 2.520 224 3HG2 THR 33 HG23 THR 33 12.035 5.452 1.523 225 H SER 34 HN SER 34 10.417 1.281 1.606 226 HA SER 34 HA SER 34 11.634 -1.146 0.746 227 1HB SER 34 HB2 SER 34 12.071 -1.589 3.363 228 2HB SER 34 HB1 SER 34 13.321 -0.669 2.450 229 HG SER 34 HG SER 34 11.314 0.354 4.163 230 H GLY 35 HN GLY 35 10.048 -2.879 1.629 231 1HA GLY 35 HA2 GLY 35 7.693 -1.984 2.817 232 2HA GLY 35 HA1 GLY 35 7.618 -2.253 1.009 233 H HIS 36 HN HIS 36 6.257 -4.194 2.526 234 HA HIS 36 HA HIS 36 7.595 -6.508 1.974 235 1HB HIS 36 HB2 HIS 36 7.549 -7.552 4.255 236 2HB HIS 36 HB1 HIS 36 8.750 -6.225 4.225 237 HD1 HIS 36 HD1 HIS 36 7.970 -3.958 5.442 238 HD2 HIS 36 HD2 HIS 36 5.441 -7.248 6.071 239 HE1 HIS 36 HE1 HIS 36 6.457 -3.378 7.388 240 HE2 HIS 36 HE2 HIS 36 4.952 -5.391 7.743 241 H CYS 37 HN CYS 37 5.608 -8.179 3.234 242 HA CYS 37 HA CYS 37 3.144 -6.651 2.998 243 1HB CYS 37 HB2 CYS 37 3.816 -9.223 1.420 244 2HB CYS 37 HB1 CYS 37 2.171 -8.520 1.586 245 H GLY 38 HN GLY 38 1.352 -7.952 3.889 246 1HA GLY 38 HA2 GLY 38 1.047 -10.201 5.038 247 2HA GLY 38 HA1 GLY 38 2.254 -9.459 6.192 248 H PHE 39 HN PHE 39 -1.223 -9.584 5.462 249 HA PHE 39 HA PHE 39 -1.766 -7.219 6.917 250 1HB PHE 39 HB2 PHE 39 -1.185 -6.310 4.565 251 2HB PHE 39 HB1 PHE 39 -2.232 -7.565 3.847 252 HD1 PHE 39 HD1 PHE 39 -2.170 -4.441 5.817 253 HD2 PHE 39 HD2 PHE 39 -4.705 -7.252 3.764 254 HE1 PHE 39 HE1 PHE 39 -3.920 -2.702 5.593 255 HE2 PHE 39 HE2 PHE 39 -6.365 -5.508 3.436 256 HZ PHE 39 HZ PHE 39 -5.990 -3.212 4.321 257 H LYS 40 HN LYS 40 -4.122 -7.605 7.410 258 HA LYS 40 HA LYS 40 -5.403 -9.795 6.083 259 1HB LYS 40 HB2 LYS 40 -4.906 -9.888 9.136 260 2HB LYS 40 HB1 LYS 40 -6.117 -10.884 8.260 261 1HG LYS 40 HG2 LYS 40 -4.250 -11.926 6.914 262 2HG LYS 40 HG1 LYS 40 -3.060 -11.015 7.902 263 1HD LYS 40 HD2 LYS 40 -3.944 -12.131 9.981 264 2HD LYS 40 HD1 LYS 40 -5.063 -13.108 8.973 265 1HE LYS 40 HE2 LYS 40 -1.962 -13.161 8.838 266 2HE LYS 40 HE1 LYS 40 -3.031 -14.420 9.579 267 1HZ LYS 40 HZ1 LYS 40 -4.047 -14.642 7.329 268 2HZ LYS 40 HZ2 LYS 40 -2.429 -15.146 7.458 269 3HZ LYS 40 HZ3 LYS 40 -2.799 -13.661 6.720 270 H VAL 41 HN VAL 41 -6.485 -7.676 5.398 271 HA VAL 41 HA VAL 41 -8.564 -7.136 7.317 272 HB VAL 41 HB VAL 41 -7.463 -5.094 5.310 273 1HG1 VAL 41 HG11 VAL 41 -9.647 -4.906 7.446 274 2HG1 VAL 41 HG12 VAL 41 -9.858 -4.884 5.647 275 3HG1 VAL 41 HG13 VAL 41 -9.001 -3.529 6.472 276 1HG2 VAL 41 HG21 VAL 41 -6.701 -3.788 7.342 277 2HG2 VAL 41 HG22 VAL 41 -5.796 -5.327 7.124 278 3HG2 VAL 41 HG23 VAL 41 -7.093 -5.219 8.378 279 H GLY 42 HN GLY 42 -10.530 -7.524 5.987 280 1HA GLY 42 HA2 GLY 42 -9.797 -9.396 3.962 281 2HA GLY 42 HA1 GLY 42 -11.422 -9.039 4.654 282 H HIS 43 HN HIS 43 -8.958 -7.352 2.714 283 HA HIS 43 HA HIS 43 -11.076 -6.743 0.692 284 1HB HIS 43 HB2 HIS 43 -8.371 -5.327 1.159 285 2HB HIS 43 HB1 HIS 43 -9.458 -5.047 -0.248 286 HD1 HIS 43 HD1 HIS 43 -9.501 -2.642 0.263 287 HD2 HIS 43 HD2 HIS 43 -10.918 -4.899 3.500 288 HE1 HIS 43 HE1 HIS 43 -10.395 -1.006 1.948 289 HE2 HIS 43 HE2 HIS 43 -11.274 -2.397 3.898 290 H GLY 44 HN GLY 44 -7.573 -7.605 1.368 291 1HA GLY 44 HA2 GLY 44 -7.116 -9.405 -0.542 292 2HA GLY 44 HA1 GLY 44 -6.790 -7.713 -1.210 293 H LEU 45 HN LEU 45 -4.290 -8.285 -0.728 294 HA LEU 45 HA LEU 45 -3.777 -7.957 2.125 295 1HB LEU 45 HB2 LEU 45 -3.695 -10.278 1.604 296 2HB LEU 45 HB1 LEU 45 -2.573 -10.017 0.201 297 HG LEU 45 HG LEU 45 -1.938 -9.508 3.183 298 1HD1 LEU 45 HD11 LEU 45 -2.476 -11.888 2.846 299 2HD1 LEU 45 HD12 LEU 45 -0.711 -11.678 3.142 300 3HD1 LEU 45 HD13 LEU 45 -1.314 -11.983 1.470 301 1HD2 LEU 45 HD21 LEU 45 0.477 -9.739 2.371 302 2HD2 LEU 45 HD22 LEU 45 -0.358 -8.268 1.747 303 3HD2 LEU 45 HD23 LEU 45 -0.134 -9.706 0.689 304 H ALA 46 HN ALA 46 -2.605 -6.119 2.335 305 HA ALA 46 HA ALA 46 -2.040 -4.743 -0.121 306 1HB ALA 46 HB1 ALA 46 -1.888 -3.727 2.792 307 2HB ALA 46 HB2 ALA 46 -3.364 -3.673 1.795 308 3HB ALA 46 HB3 ALA 46 -1.935 -2.708 1.308 309 H CYS 47 HN CYS 47 0.026 -2.892 0.537 310 HA CYS 47 HA CYS 47 2.286 -4.770 0.903 311 1HB CYS 47 HB2 CYS 47 2.247 -4.440 -1.497 312 2HB CYS 47 HB1 CYS 47 1.729 -2.751 -1.315 313 H TRP 48 HN TRP 48 4.006 -3.639 2.106 314 HA TRP 48 HA TRP 48 2.897 -1.374 3.632 315 1HB TRP 48 HB2 TRP 48 3.678 -3.200 5.075 316 2HB TRP 48 HB1 TRP 48 5.227 -3.280 4.178 317 HD1 TRP 48 HD1 TRP 48 7.144 -1.498 4.817 318 HE1 TRP 48 HE1 TRP 48 7.436 0.246 6.607 319 HE3 TRP 48 HE3 TRP 48 2.400 -1.678 6.695 320 HZ2 TRP 48 HZ2 TRP 48 5.761 1.464 8.666 321 HZ3 TRP 48 HZ3 TRP 48 1.801 -0.204 8.587 322 HH2 TRP 48 HH2 TRP 48 3.462 1.348 9.558 323 H CYS 49 HN CYS 49 4.362 0.641 3.852 324 HA CYS 49 HA CYS 49 6.755 0.491 2.306 325 1HB CYS 49 HB2 CYS 49 4.477 2.437 1.620 326 2HB CYS 49 HB1 CYS 49 6.187 2.931 1.397 327 H ASN 50 HN ASN 50 8.223 2.112 3.030 328 HA ASN 50 HA ASN 50 7.264 3.730 5.296 329 1HB ASN 50 HB2 ASN 50 10.035 2.465 4.769 330 2HB ASN 50 HB1 ASN 50 9.876 3.947 5.763 331 1HD2 ASN 50 HD21 ASN 50 8.718 3.858 7.827 332 2HD2 ASN 50 HD22 ASN 50 8.538 2.340 8.647 333 H ALA 51 HN ALA 51 7.730 5.880 5.083 334 HA ALA 51 HA ALA 51 8.345 7.781 4.388 335 1HB ALA 51 HB1 ALA 51 10.701 7.002 4.499 336 2HB ALA 51 HB2 ALA 51 10.453 8.213 3.185 337 3HB ALA 51 HB3 ALA 51 10.583 6.460 2.784 338 H LEU 52 HN LEU 52 6.128 7.261 3.271 339 HA LEU 52 HA LEU 52 6.493 7.598 0.367 340 1HB LEU 52 HB2 LEU 52 3.998 6.998 2.032 341 2HB LEU 52 HB1 LEU 52 3.904 7.570 0.329 342 HG LEU 52 HG LEU 52 5.414 5.053 1.210 343 1HD1 LEU 52 HD11 LEU 52 3.018 4.703 1.635 344 2HD1 LEU 52 HD12 LEU 52 3.494 3.799 0.147 345 3HD1 LEU 52 HD13 LEU 52 2.586 5.344 0.000 346 1HD2 LEU 52 HD21 LEU 52 4.573 5.961 -1.631 347 2HD2 LEU 52 HD22 LEU 52 5.454 4.461 -1.196 348 3HD2 LEU 52 HD23 LEU 52 6.231 6.050 -0.959 349 HA PRO 53 HA PRO 53 5.686 11.861 1.631 350 1HB PRO 53 HB2 PRO 53 5.832 13.112 -0.867 351 2HB PRO 53 HB1 PRO 53 7.291 12.549 0.034 352 1HG PRO 53 HG1 PRO 53 5.938 11.247 -2.348 353 2HG PRO 53 HG2 PRO 53 7.683 11.280 -1.900 354 1HD PRO 53 HD1 PRO 53 5.729 9.194 -1.377 355 2HD PRO 53 HD2 PRO 53 7.408 9.266 -0.706 356 H ASP 54 HN ASP 54 3.922 13.527 1.094 357 HA ASP 54 HA ASP 54 1.550 11.940 0.969 358 1HB ASP 54 HB2 ASP 54 1.847 14.949 1.389 359 2HB ASP 54 HB1 ASP 54 0.374 13.932 1.700 360 H ASN 55 HN ASN 55 2.684 11.966 -1.645 361 HA ASN 55 HA ASN 55 0.401 13.291 -2.986 362 1HB ASN 55 HB2 ASN 55 1.492 13.144 -5.120 363 2HB ASN 55 HB1 ASN 55 2.610 14.001 -4.010 364 1HD2 ASN 55 HD21 ASN 55 2.569 11.651 -6.431 365 2HD2 ASN 55 HD22 ASN 55 3.962 10.725 -5.949 366 H VAL 56 HN VAL 56 1.504 10.498 -1.482 367 HA VAL 56 HA VAL 56 0.437 8.694 -3.519 368 HB VAL 56 HB VAL 56 1.892 7.970 -0.914 369 1HG1 VAL 56 HG11 VAL 56 1.453 6.545 -3.638 370 2HG1 VAL 56 HG12 VAL 56 0.665 6.125 -2.067 371 3HG1 VAL 56 HG13 VAL 56 2.435 5.897 -2.280 372 1HG2 VAL 56 HG21 VAL 56 4.020 7.919 -2.250 373 2HG2 VAL 56 HG22 VAL 56 3.393 9.565 -2.095 374 3HG2 VAL 56 HG23 VAL 56 3.168 8.701 -3.636 375 H GLY 57 HN GLY 57 -1.439 7.377 -2.844 376 1HA GLY 57 HA2 GLY 57 -2.644 8.324 -0.330 377 2HA GLY 57 HA1 GLY 57 -3.550 7.853 -1.848 378 H ILE 58 HN ILE 58 -3.693 6.540 0.869 379 HA ILE 58 HA ILE 58 -2.533 3.975 0.230 380 HB ILE 58 HB ILE 58 -1.510 3.817 2.473 381 1HG1 ILE 58 HG12 ILE 58 -1.966 6.854 2.715 382 2HG1 ILE 58 HG11 ILE 58 -2.834 5.595 3.659 383 1HG2 ILE 58 HG21 ILE 58 0.541 4.859 1.851 384 2HG2 ILE 58 HG22 ILE 58 -0.298 6.156 0.911 385 3HG2 ILE 58 HG23 ILE 58 -0.297 4.457 0.311 386 1HD1 ILE 58 HD11 ILE 58 -1.017 6.451 5.045 387 2HD1 ILE 58 HD12 ILE 58 0.197 6.178 3.741 388 3HD1 ILE 58 HD13 ILE 58 -0.603 4.770 4.540 389 H ILE 59 HN ILE 59 -3.126 2.998 2.957 390 HA ILE 59 HA ILE 59 -5.787 2.372 2.366 391 HB ILE 59 HB ILE 59 -4.467 1.880 5.067 392 1HG1 ILE 59 HG12 ILE 59 -2.884 1.119 3.297 393 2HG1 ILE 59 HG11 ILE 59 -3.572 -0.192 4.298 394 1HG2 ILE 59 HG21 ILE 59 -6.886 1.355 4.985 395 2HG2 ILE 59 HG22 ILE 59 -5.972 -0.190 4.944 396 3HG2 ILE 59 HG23 ILE 59 -6.695 0.472 3.427 397 1HD1 ILE 59 HD11 ILE 59 -4.997 -0.956 2.529 398 2HD1 ILE 59 HD12 ILE 59 -3.366 -0.704 1.794 399 3HD1 ILE 59 HD13 ILE 59 -4.695 0.480 1.521 400 H VAL 60 HN VAL 60 -7.648 3.143 3.157 401 HA VAL 60 HA VAL 60 -7.741 4.989 5.380 402 HB VAL 60 HB VAL 60 -8.959 5.278 2.543 403 1HG1 VAL 60 HG11 VAL 60 -10.687 5.889 4.180 404 2HG1 VAL 60 HG12 VAL 60 -10.057 7.353 3.360 405 3HG1 VAL 60 HG13 VAL 60 -9.526 6.972 5.051 406 1HG2 VAL 60 HG21 VAL 60 -6.616 6.069 2.638 407 2HG2 VAL 60 HG22 VAL 60 -6.988 7.095 4.076 408 3HG2 VAL 60 HG23 VAL 60 -7.728 7.462 2.470 409 H GLU 61 HN GLU 61 -10.236 4.569 6.200 410 HA GLU 61 HA GLU 61 -11.684 2.717 4.807 411 1HB GLU 61 HB2 GLU 61 -10.156 1.028 5.822 412 2HB GLU 61 HB1 GLU 61 -10.490 1.691 7.472 413 1HG GLU 61 HG2 GLU 61 -12.882 0.927 7.256 414 2HG GLU 61 HG1 GLU 61 -12.572 0.433 5.546 415 H GLY 62 HN GLY 62 -13.731 2.616 6.418 416 1HA GLY 62 HA2 GLY 62 -15.310 4.078 7.147 417 2HA GLY 62 HA1 GLY 62 -14.025 5.324 7.470 418 H GLU 63 HN GLU 63 -14.521 3.210 4.567 419 HA GLU 63 HA GLU 63 -15.288 4.973 2.710 420 1HB GLU 63 HB2 GLU 63 -12.904 6.030 3.379 421 2HB GLU 63 HB1 GLU 63 -12.206 4.523 2.728 422 1HG GLU 63 HG2 GLU 63 -12.069 6.311 1.048 423 2HG GLU 63 HG1 GLU 63 -13.269 5.108 0.462 424 H LYS 64 HN LYS 64 -13.416 3.317 0.832 425 HA LYS 64 HA LYS 64 -13.486 0.706 1.694 426 1HB LYS 64 HB2 LYS 64 -16.034 1.147 0.942 427 2HB LYS 64 HB1 LYS 64 -15.355 1.304 -0.708 428 1HG LYS 64 HG2 LYS 64 -14.428 -1.117 -0.408 429 2HG LYS 64 HG1 LYS 64 -15.225 -1.137 1.190 430 1HD LYS 64 HD2 LYS 64 -16.591 -2.334 -0.436 431 2HD LYS 64 HD1 LYS 64 -17.451 -0.862 0.111 432 1HE LYS 64 HE2 LYS 64 -17.740 -1.262 -2.338 433 2HE LYS 64 HE1 LYS 64 -16.883 0.300 -2.050 434 1HZ LYS 64 HZ1 LYS 64 -15.941 -1.031 -3.827 435 2HZ LYS 64 HZ2 LYS 64 -15.566 -2.278 -2.737 436 3HZ LYS 64 HZ3 LYS 64 -14.822 -0.757 -2.582 437 H CYS 65 HN CYS 65 -13.159 -0.152 -1.038 438 HA CYS 65 HA CYS 65 -10.719 1.142 -1.736 439 1HB CYS 65 HB2 CYS 65 -10.832 -1.268 -1.842 440 2HB CYS 65 HB1 CYS 65 -12.377 -1.230 -2.707 441 H HIS 66 HN HIS 66 -10.363 2.532 -3.434 442 HA HIS 66 HA HIS 66 -10.819 4.396 -4.390 443 1HB HIS 66 HB2 HIS 66 -13.096 2.969 -5.780 444 2HB HIS 66 HB1 HIS 66 -12.528 4.638 -6.177 445 HD1 HIS 66 HD1 HIS 66 -9.970 4.892 -6.790 446 HD2 HIS 66 HD2 HIS 66 -11.382 0.943 -6.871 447 HE1 HIS 66 HE1 HIS 66 -8.178 3.493 -7.871 448 HE2 HIS 66 HE2 HIS 66 -9.079 1.115 -7.949 449 H SER 67 HN SER 67 -13.855 5.098 -4.890 450 HA SER 67 HA SER 67 -14.078 6.591 -2.480 451 1HB SER 67 HB2 SER 67 -16.228 6.145 -4.634 452 2HB SER 67 HB1 SER 67 -16.115 7.513 -3.462 453 HG SER 67 HG SER 67 -15.302 8.069 -5.506 454 1HN NH2 68 H1 NH2 68 -15.448 3.511 -0.933 455 2HN NH2 68 H2 NH2 68 -13.902 4.120 -1.503 Start of MODEL 36 1 1H VAL 1 HT1 VAL 1 4.918 12.488 6.520 2 2H VAL 1 HT2 VAL 1 6.374 12.529 5.640 3 3H VAL 1 HT3 VAL 1 6.333 11.836 7.193 4 HA VAL 1 HA VAL 1 4.933 10.878 4.803 5 HB VAL 1 HB VAL 1 6.421 8.864 4.968 6 1HG1 VAL 1 HG11 VAL 1 8.489 9.916 4.116 7 2HG1 VAL 1 HG12 VAL 1 8.001 11.514 4.785 8 3HG1 VAL 1 HG13 VAL 1 7.049 10.756 3.455 9 1HG2 VAL 1 HG21 VAL 1 8.410 8.863 6.444 10 2HG2 VAL 1 HG22 VAL 1 6.923 8.962 7.447 11 3HG2 VAL 1 HG23 VAL 1 7.930 10.434 7.171 12 H ARG 2 HN ARG 2 4.403 8.242 5.413 13 HA ARG 2 HA ARG 2 3.713 7.967 8.142 14 1HB ARG 2 HB2 ARG 2 1.392 7.326 7.893 15 2HB ARG 2 HB1 ARG 2 1.579 9.018 7.367 16 1HG ARG 2 HG2 ARG 2 1.258 6.588 5.476 17 2HG ARG 2 HG1 ARG 2 -0.027 7.686 6.065 18 1HD ARG 2 HD2 ARG 2 1.512 9.611 4.945 19 2HD ARG 2 HD1 ARG 2 2.158 8.223 3.993 20 HE ARG 2 HE ARG 2 0.071 8.075 2.848 21 1HH1 ARG 2 HH21 ARG 2 -0.281 10.183 5.721 22 2HH1 ARG 2 HH22 ARG 2 -1.809 10.823 5.213 23 1HH2 ARG 2 HH11 ARG 2 -1.928 9.034 2.158 24 2HH2 ARG 2 HH12 ARG 2 -2.771 10.130 3.196 25 H ASP 3 HN ASP 3 2.501 5.443 7.973 26 HA ASP 3 HA ASP 3 3.998 3.960 6.016 27 1HB ASP 3 HB2 ASP 3 3.839 3.122 9.009 28 2HB ASP 3 HB1 ASP 3 4.758 2.311 7.693 29 H GLY 4 HN GLY 4 2.400 2.140 5.512 30 1HA GLY 4 HA2 GLY 4 0.599 1.486 7.446 31 2HA GLY 4 HA1 GLY 4 -0.225 2.428 6.109 32 H TYR 5 HN TYR 5 -1.130 0.204 5.539 33 HA TYR 5 HA TYR 5 0.730 -1.395 3.998 34 1HB TYR 5 HB2 TYR 5 -2.347 -1.418 4.180 35 2HB TYR 5 HB1 TYR 5 -1.362 -2.570 3.203 36 HD1 TYR 5 HD1 TYR 5 -0.201 -4.391 4.289 37 HD2 TYR 5 HD2 TYR 5 -2.309 -1.473 6.649 38 HE1 TYR 5 HE1 TYR 5 -0.144 -5.896 6.235 39 HE2 TYR 5 HE2 TYR 5 -2.224 -2.978 8.598 40 HH TYR 5 HH TYR 5 -1.735 -6.238 8.257 41 H ILE 6 HN ILE 6 0.623 -1.197 1.613 42 HA ILE 6 HA ILE 6 -0.467 1.408 0.818 43 HB ILE 6 HB ILE 6 1.922 1.120 0.392 44 1HG1 ILE 6 HG12 ILE 6 0.102 1.532 -2.055 45 2HG1 ILE 6 HG11 ILE 6 0.536 2.748 -0.803 46 1HG2 ILE 6 HG21 ILE 6 2.673 -0.344 -1.477 47 2HG2 ILE 6 HG22 ILE 6 1.018 -1.024 -1.628 48 3HG2 ILE 6 HG23 ILE 6 1.990 -1.283 -0.121 49 1HD1 ILE 6 HD11 ILE 6 3.000 2.431 -1.489 50 2HD1 ILE 6 HD12 ILE 6 1.925 3.143 -2.746 51 3HD1 ILE 6 HD13 ILE 6 2.411 1.414 -2.857 52 H ALA 7 HN ALA 7 -1.878 1.587 -0.655 53 HA ALA 7 HA ALA 7 -3.564 -0.655 -1.350 54 1HB ALA 7 HB1 ALA 7 -5.337 1.091 -1.699 55 2HB ALA 7 HB2 ALA 7 -4.113 2.395 -1.468 56 3HB ALA 7 HB3 ALA 7 -4.594 1.341 -0.097 57 H GLN 8 HN GLN 8 -4.940 0.666 -3.395 58 HA GLN 8 HA GLN 8 -2.968 1.162 -5.490 59 1HB GLN 8 HB2 GLN 8 -5.799 -0.136 -5.593 60 2HB GLN 8 HB1 GLN 8 -4.910 0.408 -7.056 61 1HG GLN 8 HG2 GLN 8 -3.126 -1.212 -6.657 62 2HG GLN 8 HG1 GLN 8 -3.837 -1.699 -5.079 63 1HE2 GLN 8 HE22 GLN 8 -5.707 -3.065 -5.058 64 2HE2 GLN 8 HE21 GLN 8 -6.313 -3.844 -6.505 65 HA PRO 9 HA PRO 9 -5.905 4.675 -5.373 66 1HB PRO 9 HB2 PRO 9 -6.079 5.342 -8.105 67 2HB PRO 9 HB1 PRO 9 -4.757 5.895 -7.005 68 1HG PRO 9 HG1 PRO 9 -4.726 3.559 -8.971 69 2HG PRO 9 HG2 PRO 9 -3.424 4.779 -8.642 70 1HD PRO 9 HD1 PRO 9 -3.458 2.213 -7.538 71 2HD PRO 9 HD2 PRO 9 -2.749 3.638 -6.646 72 H GLU 10 HN GLU 10 -8.977 2.998 -6.310 73 HA GLU 10 HA GLU 10 -8.107 5.661 -5.814 74 1HB GLU 10 HB2 GLU 10 -10.577 4.096 -4.873 75 2HB GLU 10 HB1 GLU 10 -10.384 5.847 -4.628 76 1HG GLU 10 HG2 GLU 10 -10.439 4.442 -7.382 77 2HG GLU 10 HG1 GLU 10 -11.835 5.268 -6.609 78 H ASN 11 HN ASN 11 -9.057 2.948 -3.554 79 HA ASN 11 HA ASN 11 -7.116 3.420 -1.670 80 1HB ASN 11 HB2 ASN 11 -8.732 5.308 -0.945 81 2HB ASN 11 HB1 ASN 11 -10.105 4.184 -1.167 82 1HD2 ASN 11 HD22 ASN 11 -7.898 5.475 1.117 83 2HD2 ASN 11 HD21 ASN 11 -8.195 4.376 2.418 84 H CYS 12 HN CYS 12 -7.372 1.206 -0.639 85 HA CYS 12 HA CYS 12 -9.205 -0.549 -0.430 86 1HB CYS 12 HB2 CYS 12 -8.330 -0.829 -3.361 87 2HB CYS 12 HB1 CYS 12 -8.937 -2.212 -2.375 88 H VAL 13 HN VAL 13 -7.248 -2.530 -1.927 89 HA VAL 13 HA VAL 13 -4.914 -1.999 -0.290 90 HB VAL 13 HB VAL 13 -4.669 -4.579 -0.191 91 1HG1 VAL 13 HG11 VAL 13 -6.202 -4.749 1.820 92 2HG1 VAL 13 HG12 VAL 13 -6.837 -3.098 1.413 93 3HG1 VAL 13 HG13 VAL 13 -5.114 -3.335 1.866 94 1HG2 VAL 13 HG21 VAL 13 -6.711 -5.909 -0.289 95 2HG2 VAL 13 HG22 VAL 13 -6.495 -5.082 -1.871 96 3HG2 VAL 13 HG23 VAL 13 -7.723 -4.475 -0.681 97 H TYR 14 HN TYR 14 -3.018 -3.151 -1.268 98 HA TYR 14 HA TYR 14 -3.289 -3.462 -4.142 99 1HB TYR 14 HB2 TYR 14 -1.091 -2.532 -2.486 100 2HB TYR 14 HB1 TYR 14 -0.556 -4.062 -3.144 101 HD1 TYR 14 HD1 TYR 14 -1.749 -4.226 -5.858 102 HD2 TYR 14 HD2 TYR 14 0.018 -0.883 -3.787 103 HE1 TYR 14 HE1 TYR 14 -1.310 -3.140 -7.997 104 HE2 TYR 14 HE2 TYR 14 0.453 0.214 -5.936 105 HH TYR 14 HH TYR 14 -0.597 -1.241 -9.047 106 H HIS 15 HN HIS 15 -1.123 -5.642 -3.987 107 HA HIS 15 HA HIS 15 -2.266 -7.585 -2.287 108 1HB HIS 15 HB2 HIS 15 -2.101 -8.050 -5.353 109 2HB HIS 15 HB1 HIS 15 -2.054 -9.380 -4.141 110 HD1 HIS 15 HD1 HIS 15 -4.469 -6.699 -5.369 111 HD2 HIS 15 HD2 HIS 15 -4.452 -10.185 -3.033 112 HE1 HIS 15 HE1 HIS 15 -6.882 -7.268 -4.845 113 HE2 HIS 15 HE2 HIS 15 -6.824 -9.362 -3.419 114 H CYS 16 HN CYS 16 -0.310 -9.496 -2.849 115 HA CYS 16 HA CYS 16 2.111 -8.206 -3.480 116 1HB CYS 16 HB2 CYS 16 2.159 -7.629 -1.067 117 2HB CYS 16 HB1 CYS 16 1.359 -9.152 -0.633 118 H PHE 17 HN PHE 17 3.559 -10.216 -3.701 119 HA PHE 17 HA PHE 17 1.986 -12.604 -4.214 120 1HB PHE 17 HB2 PHE 17 4.650 -11.717 -5.562 121 2HB PHE 17 HB1 PHE 17 3.562 -13.069 -6.036 122 HD1 PHE 17 HD1 PHE 17 4.282 -9.493 -6.293 123 HD2 PHE 17 HD2 PHE 17 1.242 -12.459 -6.935 124 HE1 PHE 17 HE1 PHE 17 2.992 -7.876 -7.665 125 HE2 PHE 17 HE2 PHE 17 -0.041 -10.851 -8.313 126 HZ PHE 17 HZ PHE 17 0.834 -8.553 -8.670 127 HA PRO 18 HA PRO 18 4.113 -12.485 -0.422 128 1HB PRO 18 HB2 PRO 18 4.254 -15.555 -0.658 129 2HB PRO 18 HB1 PRO 18 3.906 -14.591 0.835 130 1HG PRO 18 HG1 PRO 18 1.864 -15.631 -0.691 131 2HG PRO 18 HG2 PRO 18 1.726 -13.957 -0.006 132 1HD PRO 18 HD1 PRO 18 2.211 -14.756 -2.881 133 2HD PRO 18 HD2 PRO 18 1.530 -13.227 -2.165 134 H GLY 19 HN GLY 19 6.180 -11.417 -0.797 135 1HA GLY 19 HA2 GLY 19 8.473 -12.551 -0.136 136 2HA GLY 19 HA1 GLY 19 8.276 -12.740 -1.961 137 H SER 20 HN SER 20 9.996 -10.739 -1.837 138 HA SER 20 HA SER 20 8.694 -8.285 -1.085 139 1HB SER 20 HB2 SER 20 11.360 -8.772 -2.565 140 2HB SER 20 HB1 SER 20 10.795 -7.201 -1.877 141 HG SER 20 HG SER 20 12.171 -8.225 -0.448 142 H SER 21 HN SER 21 9.422 -10.135 -4.103 143 HA SER 21 HA SER 21 10.289 -8.366 -5.607 144 1HB SER 21 HB2 SER 21 8.291 -10.393 -6.734 145 2HB SER 21 HB1 SER 21 9.821 -9.781 -7.482 146 HG SER 21 HG SER 21 10.147 -11.796 -6.516 147 H GLY 22 HN GLY 22 6.742 -8.972 -6.168 148 1HA GLY 22 HA2 GLY 22 6.701 -6.686 -7.867 149 2HA GLY 22 HA1 GLY 22 5.317 -7.699 -7.330 150 H CYS 23 HN CYS 23 5.983 -7.234 -4.460 151 HA CYS 23 HA CYS 23 4.255 -4.961 -4.160 152 1HB CYS 23 HB2 CYS 23 3.940 -6.759 -2.579 153 2HB CYS 23 HB1 CYS 23 5.687 -6.846 -2.219 154 H ASP 24 HN ASP 24 7.693 -5.773 -3.367 155 HA ASP 24 HA ASP 24 8.207 -3.235 -2.309 156 1HB ASP 24 HB2 ASP 24 9.573 -5.336 -1.877 157 2HB ASP 24 HB1 ASP 24 10.276 -5.160 -3.524 158 H THR 25 HN THR 25 8.376 -4.559 -5.637 159 HA THR 25 HA THR 25 9.621 -2.334 -6.798 160 HB THR 25 HB THR 25 7.452 -4.090 -8.018 161 HG1 THR 25 HG1 THR 25 9.130 -5.417 -7.365 162 1HG2 THR 25 HG21 THR 25 8.626 -3.477 -10.195 163 2HG2 THR 25 HG22 THR 25 9.719 -2.374 -9.276 164 3HG2 THR 25 HG23 THR 25 7.957 -2.024 -9.384 165 H LEU 26 HN LEU 26 6.067 -3.057 -6.326 166 HA LEU 26 HA LEU 26 5.152 -0.647 -7.399 167 1HB LEU 26 HB2 LEU 26 3.987 -2.639 -5.407 168 2HB LEU 26 HB1 LEU 26 3.111 -1.127 -5.756 169 HG LEU 26 HG LEU 26 2.403 -1.710 -7.784 170 1HD1 LEU 26 HD11 LEU 26 4.489 -1.923 -9.048 171 2HD1 LEU 26 HD12 LEU 26 3.377 -3.271 -9.441 172 3HD1 LEU 26 HD13 LEU 26 4.790 -3.566 -8.370 173 1HD2 LEU 26 HD21 LEU 26 1.684 -4.083 -7.841 174 2HD2 LEU 26 HD22 LEU 26 1.606 -3.440 -6.155 175 3HD2 LEU 26 HD23 LEU 26 2.955 -4.527 -6.640 176 H CYS 27 HN CYS 27 6.008 -1.576 -4.036 177 HA CYS 27 HA CYS 27 5.338 0.780 -2.791 178 1HB CYS 27 HB2 CYS 27 6.155 -1.436 -1.736 179 2HB CYS 27 HB1 CYS 27 7.822 -0.950 -2.160 180 H LYS 28 HN LYS 28 8.410 -0.131 -4.456 181 HA LYS 28 HA LYS 28 9.824 2.140 -3.712 182 1HB LYS 28 HB2 LYS 28 10.793 -0.006 -4.590 183 2HB LYS 28 HB1 LYS 28 10.175 0.401 -6.225 184 1HG LYS 28 HG2 LYS 28 11.676 2.408 -6.284 185 2HG LYS 28 HG1 LYS 28 12.215 2.059 -4.602 186 1HD LYS 28 HD2 LYS 28 13.129 -0.152 -5.353 187 2HD LYS 28 HD1 LYS 28 12.593 0.199 -7.038 188 1HE LYS 28 HE2 LYS 28 14.152 2.186 -7.114 189 2HE LYS 28 HE1 LYS 28 14.693 1.814 -5.426 190 1HZ LYS 28 HZ1 LYS 28 16.213 0.926 -6.993 191 2HZ LYS 28 HZ2 LYS 28 14.996 0.088 -7.827 192 3HZ LYS 28 HZ3 LYS 28 15.407 -0.368 -6.244 193 H GLU 29 HN GLU 29 7.861 1.447 -6.667 194 HA GLU 29 HA GLU 29 8.592 3.918 -7.855 195 1HB GLU 29 HB2 GLU 29 6.969 3.462 -9.618 196 2HB GLU 29 HB1 GLU 29 7.984 2.026 -9.265 197 1HG GLU 29 HG2 GLU 29 6.092 1.121 -7.839 198 2HG GLU 29 HG1 GLU 29 5.053 2.486 -8.384 199 H LYS 30 HN LYS 30 5.931 2.999 -5.670 200 HA LYS 30 HA LYS 30 4.529 5.487 -6.152 201 1HB LYS 30 HB2 LYS 30 4.217 3.398 -3.926 202 2HB LYS 30 HB1 LYS 30 3.144 4.824 -4.143 203 1HG LYS 30 HG2 LYS 30 3.497 2.547 -6.193 204 2HG LYS 30 HG1 LYS 30 2.166 2.687 -4.999 205 1HD LYS 30 HD2 LYS 30 1.529 4.913 -6.075 206 2HD LYS 30 HD1 LYS 30 2.745 4.578 -7.362 207 1HE LYS 30 HE2 LYS 30 0.295 2.808 -6.660 208 2HE LYS 30 HE1 LYS 30 0.444 3.907 -8.091 209 1HZ LYS 30 HZ1 LYS 30 2.136 1.531 -7.504 210 2HZ LYS 30 HZ2 LYS 30 2.306 2.569 -8.839 211 3HZ LYS 30 HZ3 LYS 30 0.895 1.638 -8.657 212 H GLY 31 HN GLY 31 7.179 4.380 -4.173 213 1HA GLY 31 HA2 GLY 31 8.722 5.924 -3.599 214 2HA GLY 31 HA1 GLY 31 7.451 7.191 -3.387 215 H GLY 32 HN GLY 32 7.448 3.824 -2.124 216 1HA GLY 32 HA2 GLY 32 7.913 4.875 0.594 217 2HA GLY 32 HA1 GLY 32 7.121 3.301 0.119 218 H THR 33 HN THR 33 9.909 4.010 1.554 219 HA THR 33 HA THR 33 11.711 3.659 -0.638 220 HB THR 33 HB THR 33 13.422 3.832 1.291 221 HG1 THR 33 HG1 THR 33 12.158 3.260 3.013 222 1HG2 THR 33 HG21 THR 33 12.942 6.285 1.519 223 2HG2 THR 33 HG22 THR 33 11.265 6.040 0.912 224 3HG2 THR 33 HG23 THR 33 12.670 5.749 -0.179 225 H SER 34 HN SER 34 10.212 1.517 1.784 226 HA SER 34 HA SER 34 11.079 -0.660 0.382 227 1HB SER 34 HB2 SER 34 12.271 -0.397 3.242 228 2HB SER 34 HB1 SER 34 12.233 -1.917 2.267 229 HG SER 34 HG SER 34 13.280 0.197 0.885 230 H GLY 35 HN GLY 35 10.092 -2.573 2.333 231 1HA GLY 35 HA2 GLY 35 7.888 -1.594 3.615 232 2HA GLY 35 HA1 GLY 35 7.531 -2.010 1.859 233 H HIS 36 HN HIS 36 6.376 -4.042 2.616 234 HA HIS 36 HA HIS 36 8.004 -6.245 2.975 235 1HB HIS 36 HB2 HIS 36 6.292 -5.297 5.401 236 2HB HIS 36 HB1 HIS 36 6.977 -6.954 5.230 237 HD1 HIS 36 HD1 HIS 36 9.701 -7.020 5.161 238 HD2 HIS 36 HD2 HIS 36 7.987 -3.488 6.659 239 HE1 HIS 36 HE1 HIS 36 11.508 -5.783 6.425 240 HE2 HIS 36 HE2 HIS 36 10.442 -3.657 7.301 241 H CYS 37 HN CYS 37 5.445 -7.589 4.103 242 HA CYS 37 HA CYS 37 3.391 -6.520 2.412 243 1HB CYS 37 HB2 CYS 37 4.261 -9.499 2.411 244 2HB CYS 37 HB1 CYS 37 2.721 -8.870 1.731 245 H GLY 38 HN GLY 38 1.275 -7.786 3.352 246 1HA GLY 38 HA2 GLY 38 1.532 -9.239 5.625 247 2HA GLY 38 HA1 GLY 38 1.333 -7.472 6.057 248 H PHE 39 HN PHE 39 -0.947 -8.664 6.726 249 HA PHE 39 HA PHE 39 -2.675 -8.639 4.363 250 1HB PHE 39 HB2 PHE 39 -2.293 -10.828 5.947 251 2HB PHE 39 HB1 PHE 39 -3.432 -9.974 7.037 252 HD1 PHE 39 HD1 PHE 39 -3.079 -12.154 4.219 253 HD2 PHE 39 HD2 PHE 39 -5.702 -9.224 5.917 254 HE1 PHE 39 HE1 PHE 39 -4.956 -13.075 2.906 255 HE2 PHE 39 HE2 PHE 39 -7.584 -10.131 4.613 256 HZ PHE 39 HZ PHE 39 -7.225 -12.084 3.111 257 H LYS 40 HN LYS 40 -4.503 -7.187 4.571 258 HA LYS 40 HA LYS 40 -4.553 -5.614 7.061 259 1HB LYS 40 HB2 LYS 40 -4.033 -4.088 5.178 260 2HB LYS 40 HB1 LYS 40 -5.333 -4.834 4.189 261 1HG LYS 40 HG2 LYS 40 -6.019 -2.621 5.072 262 2HG LYS 40 HG1 LYS 40 -7.073 -3.938 5.657 263 1HD LYS 40 HD2 LYS 40 -5.794 -3.908 7.877 264 2HD LYS 40 HD1 LYS 40 -4.823 -2.541 7.239 265 1HE LYS 40 HE2 LYS 40 -6.631 -1.702 8.710 266 2HE LYS 40 HE1 LYS 40 -6.968 -1.181 7.011 267 1HZ LYS 40 HZ1 LYS 40 -8.516 -2.993 6.809 268 2HZ LYS 40 HZ2 LYS 40 -8.911 -2.019 8.142 269 3HZ LYS 40 HZ3 LYS 40 -8.172 -3.532 8.380 270 H VAL 41 HN VAL 41 -5.895 -7.128 8.111 271 HA VAL 41 HA VAL 41 -7.792 -8.614 6.714 272 HB VAL 41 HB VAL 41 -7.812 -8.139 9.730 273 1HG1 VAL 41 HG11 VAL 41 -9.786 -9.376 8.787 274 2HG1 VAL 41 HG12 VAL 41 -8.725 -10.489 9.715 275 3HG1 VAL 41 HG13 VAL 41 -8.683 -10.506 7.916 276 1HG2 VAL 41 HG21 VAL 41 -6.259 -10.117 9.860 277 2HG2 VAL 41 HG22 VAL 41 -5.462 -8.715 9.084 278 3HG2 VAL 41 HG23 VAL 41 -6.062 -10.086 8.072 279 H GLY 42 HN GLY 42 -9.845 -8.115 6.107 280 1HA GLY 42 HA2 GLY 42 -11.917 -7.038 6.792 281 2HA GLY 42 HA1 GLY 42 -10.915 -5.542 7.047 282 H HIS 43 HN HIS 43 -9.013 -5.854 4.989 283 HA HIS 43 HA HIS 43 -10.789 -5.316 2.700 284 1HB HIS 43 HB2 HIS 43 -7.887 -4.483 3.233 285 2HB HIS 43 HB1 HIS 43 -8.773 -4.213 1.689 286 HD1 HIS 43 HD1 HIS 43 -7.707 -1.787 2.779 287 HD2 HIS 43 HD2 HIS 43 -11.487 -3.182 3.950 288 HE1 HIS 43 HE1 HIS 43 -9.027 0.223 3.559 289 HE2 HIS 43 HE2 HIS 43 -11.316 -0.651 4.224 290 H GLY 44 HN GLY 44 -7.457 -6.850 3.419 291 1HA GLY 44 HA2 GLY 44 -7.918 -9.160 2.155 292 2HA GLY 44 HA1 GLY 44 -7.568 -7.972 0.821 293 H LEU 45 HN LEU 45 -5.627 -9.501 0.619 294 HA LEU 45 HA LEU 45 -3.534 -9.151 2.571 295 1HB LEU 45 HB2 LEU 45 -3.979 -11.309 1.236 296 2HB LEU 45 HB1 LEU 45 -3.420 -10.453 -0.232 297 HG LEU 45 HG LEU 45 -1.615 -10.573 2.244 298 1HD1 LEU 45 HD11 LEU 45 -2.451 -12.909 1.990 299 2HD1 LEU 45 HD12 LEU 45 -0.714 -12.787 1.539 300 3HD1 LEU 45 HD13 LEU 45 -1.968 -12.906 0.254 301 1HD2 LEU 45 HD21 LEU 45 0.201 -10.754 0.508 302 2HD2 LEU 45 HD22 LEU 45 -0.781 -9.263 0.294 303 3HD2 LEU 45 HD23 LEU 45 -1.039 -10.679 -0.793 304 H ALA 46 HN ALA 46 -1.651 -7.613 2.040 305 HA ALA 46 HA ALA 46 -2.437 -5.784 -0.128 306 1HB ALA 46 HB1 ALA 46 -1.923 -4.999 2.811 307 2HB ALA 46 HB2 ALA 46 -3.537 -5.039 2.032 308 3HB ALA 46 HB3 ALA 46 -2.305 -3.861 1.451 309 H CYS 47 HN CYS 47 -0.456 -3.800 0.328 310 HA CYS 47 HA CYS 47 1.985 -5.488 0.369 311 1HB CYS 47 HB2 CYS 47 1.593 -4.822 -1.960 312 2HB CYS 47 HB1 CYS 47 1.146 -3.171 -1.455 313 H TRP 48 HN TRP 48 3.767 -4.096 1.570 314 HA TRP 48 HA TRP 48 2.385 -2.105 3.250 315 1HB TRP 48 HB2 TRP 48 2.654 -4.058 4.699 316 2HB TRP 48 HB1 TRP 48 4.328 -4.299 4.110 317 HD1 TRP 48 HD1 TRP 48 6.243 -2.596 5.009 318 HE1 TRP 48 HE1 TRP 48 6.373 -0.956 6.908 319 HE3 TRP 48 HE3 TRP 48 1.367 -2.847 6.448 320 HZ2 TRP 48 HZ2 TRP 48 4.604 -0.099 9.081 321 HZ3 TRP 48 HZ3 TRP 48 0.639 -1.654 8.484 322 HH2 TRP 48 HH2 TRP 48 2.244 -0.290 9.786 323 H CYS 49 HN CYS 49 3.829 -0.263 3.842 324 HA CYS 49 HA CYS 49 6.314 -0.197 2.382 325 1HB CYS 49 HB2 CYS 49 4.011 1.815 1.966 326 2HB CYS 49 HB1 CYS 49 5.730 2.238 1.687 327 H ASN 50 HN ASN 50 7.662 1.519 3.272 328 HA ASN 50 HA ASN 50 6.526 2.827 5.636 329 1HB ASN 50 HB2 ASN 50 9.331 1.579 5.256 330 2HB ASN 50 HB1 ASN 50 9.071 2.963 6.371 331 1HD2 ASN 50 HD22 ASN 50 8.172 2.599 8.421 332 2HD2 ASN 50 HD21 ASN 50 7.678 1.043 8.989 333 H ALA 51 HN ALA 51 7.002 4.997 5.620 334 HA ALA 51 HA ALA 51 7.722 6.929 5.084 335 1HB ALA 51 HB1 ALA 51 9.847 7.394 3.920 336 2HB ALA 51 HB2 ALA 51 9.937 5.678 3.386 337 3HB ALA 51 HB3 ALA 51 10.062 6.081 5.138 338 H LEU 52 HN LEU 52 5.483 6.359 3.866 339 HA LEU 52 HA LEU 52 5.838 7.002 1.015 340 1HB LEU 52 HB2 LEU 52 3.371 6.281 2.673 341 2HB LEU 52 HB1 LEU 52 3.239 7.008 1.038 342 HG LEU 52 HG LEU 52 4.835 4.443 1.553 343 1HD1 LEU 52 HD11 LEU 52 2.472 4.025 2.235 344 2HD1 LEU 52 HD12 LEU 52 2.847 3.187 0.683 345 3HD1 LEU 52 HD13 LEU 52 1.899 4.714 0.660 346 1HD2 LEU 52 HD21 LEU 52 5.259 5.750 -0.617 347 2HD2 LEU 52 HD22 LEU 52 3.536 5.492 -1.051 348 3HD2 LEU 52 HD23 LEU 52 4.638 4.086 -0.861 349 HA PRO 53 HA PRO 53 5.118 11.143 2.644 350 1HB PRO 53 HB2 PRO 53 4.850 12.052 -0.234 351 2HB PRO 53 HB1 PRO 53 6.013 12.621 1.016 352 1HG PRO 53 HG1 PRO 53 6.779 11.013 -1.111 353 2HG PRO 53 HG2 PRO 53 7.542 10.864 0.527 354 1HD PRO 53 HD1 PRO 53 5.328 9.102 -0.676 355 2HD PRO 53 HD2 PRO 53 6.804 8.642 0.265 356 H ASP 54 HN ASP 54 3.464 12.986 2.172 357 HA ASP 54 HA ASP 54 0.911 11.697 2.212 358 1HB ASP 54 HB2 ASP 54 1.651 14.663 2.436 359 2HB ASP 54 HB1 ASP 54 0.065 13.912 2.894 360 H ASN 55 HN ASN 55 2.490 12.142 -0.536 361 HA ASN 55 HA ASN 55 0.284 13.516 -1.906 362 1HB ASN 55 HB2 ASN 55 1.563 13.474 -3.931 363 2HB ASN 55 HB1 ASN 55 2.624 14.126 -2.637 364 1HD2 ASN 55 HD22 ASN 55 2.650 12.034 -5.280 365 2HD2 ASN 55 HD21 ASN 55 3.919 10.955 -4.780 366 H VAL 56 HN VAL 56 1.071 10.538 -0.613 367 HA VAL 56 HA VAL 56 -0.184 9.002 -2.765 368 HB VAL 56 HB VAL 56 1.147 7.805 -0.284 369 1HG1 VAL 56 HG11 VAL 56 -0.133 6.303 -1.878 370 2HG1 VAL 56 HG12 VAL 56 1.618 5.944 -1.914 371 3HG1 VAL 56 HG13 VAL 56 0.884 6.900 -3.245 372 1HG2 VAL 56 HG21 VAL 56 2.863 9.420 -1.062 373 2HG2 VAL 56 HG22 VAL 56 2.655 8.890 -2.755 374 3HG2 VAL 56 HG23 VAL 56 3.348 7.777 -1.515 375 H GLY 57 HN GLY 57 -1.825 7.189 -1.545 376 1HA GLY 57 HA2 GLY 57 -2.737 8.083 0.948 377 2HA GLY 57 HA1 GLY 57 -3.933 8.205 -0.460 378 H ILE 58 HN ILE 58 -4.041 6.079 1.673 379 HA ILE 58 HA ILE 58 -2.824 3.775 0.323 380 HB ILE 58 HB ILE 58 -1.710 3.164 2.427 381 1HG1 ILE 58 HG12 ILE 58 -2.359 6.048 3.361 382 2HG1 ILE 58 HG11 ILE 58 -3.131 4.572 4.025 383 1HG2 ILE 58 HG21 ILE 58 0.201 4.599 2.104 384 2HG2 ILE 58 HG22 ILE 58 -0.791 5.909 1.385 385 3HG2 ILE 58 HG23 ILE 58 -0.575 4.353 0.501 386 1HD1 ILE 58 HD11 ILE 58 -0.145 5.332 4.165 387 2HD1 ILE 58 HD12 ILE 58 -0.776 3.699 4.573 388 3HD1 ILE 58 HD13 ILE 58 -1.314 5.138 5.527 389 H ILE 59 HN ILE 59 -3.293 2.394 2.981 390 HA ILE 59 HA ILE 59 -5.643 1.250 2.158 391 HB ILE 59 HB ILE 59 -3.527 0.705 3.977 392 1HG1 ILE 59 HG12 ILE 59 -4.475 -1.645 3.823 393 2HG1 ILE 59 HG11 ILE 59 -5.850 -0.978 2.878 394 1HG2 ILE 59 HG21 ILE 59 -6.214 0.214 5.381 395 2HG2 ILE 59 HG22 ILE 59 -4.899 1.340 5.918 396 3HG2 ILE 59 HG23 ILE 59 -4.607 -0.431 5.869 397 1HD1 ILE 59 HD11 ILE 59 -2.926 -0.428 2.081 398 2HD1 ILE 59 HD12 ILE 59 -4.386 -0.319 1.067 399 3HD1 ILE 59 HD13 ILE 59 -3.738 -1.921 1.557 400 H VAL 60 HN VAL 60 -5.347 4.058 4.346 401 HA VAL 60 HA VAL 60 -8.146 4.114 4.176 402 HB VAL 60 HB VAL 60 -7.773 5.098 6.830 403 1HG1 VAL 60 HG11 VAL 60 -9.162 2.596 5.644 404 2HG1 VAL 60 HG12 VAL 60 -9.830 4.263 5.621 405 3HG1 VAL 60 HG13 VAL 60 -9.611 3.400 7.198 406 1HG2 VAL 60 HG21 VAL 60 -7.180 3.080 8.129 407 2HG2 VAL 60 HG22 VAL 60 -5.781 3.498 7.077 408 3HG2 VAL 60 HG23 VAL 60 -6.886 2.132 6.633 409 H GLU 61 HN GLU 61 -8.642 6.475 5.015 410 HA GLU 61 HA GLU 61 -6.764 8.429 4.748 411 1HB GLU 61 HB2 GLU 61 -6.690 7.519 2.315 412 2HB GLU 61 HB1 GLU 61 -8.474 7.631 2.254 413 1HG GLU 61 HG2 GLU 61 -7.269 9.445 0.986 414 2HG GLU 61 HG1 GLU 61 -8.373 10.089 2.243 415 H GLY 62 HN GLY 62 -8.825 10.311 4.102 416 1HA GLY 62 HA2 GLY 62 -11.175 9.419 5.631 417 2HA GLY 62 HA1 GLY 62 -10.792 11.074 4.991 418 H GLU 63 HN GLU 63 -11.407 7.632 3.909 419 HA GLU 63 HA GLU 63 -13.050 8.270 1.821 420 1HB GLU 63 HB2 GLU 63 -10.562 8.931 0.946 421 2HB GLU 63 HB1 GLU 63 -10.294 7.169 0.936 422 1HG GLU 63 HG2 GLU 63 -12.238 6.914 -0.675 423 2HG GLU 63 HG1 GLU 63 -12.503 8.695 -0.623 424 H LYS 64 HN LYS 64 -12.447 5.561 0.611 425 HA LYS 64 HA LYS 64 -11.933 3.768 2.635 426 1HB LYS 64 HB2 LYS 64 -14.240 4.608 3.410 427 2HB LYS 64 HB1 LYS 64 -14.918 4.153 1.823 428 1HG LYS 64 HG2 LYS 64 -13.488 1.959 3.367 429 2HG LYS 64 HG1 LYS 64 -14.936 2.652 4.157 430 1HD LYS 64 HD2 LYS 64 -16.342 2.214 2.182 431 2HD LYS 64 HD1 LYS 64 -14.974 1.468 1.305 432 1HE LYS 64 HE2 LYS 64 -16.167 0.430 3.970 433 2HE LYS 64 HE1 LYS 64 -16.508 -0.241 2.324 434 1HZ LYS 64 HZ1 LYS 64 -14.852 -1.503 3.483 435 2HZ LYS 64 HZ2 LYS 64 -13.852 -0.141 3.657 436 3HZ LYS 64 HZ3 LYS 64 -14.178 -0.767 2.110 437 H CYS 65 HN CYS 65 -12.735 1.622 1.389 438 HA CYS 65 HA CYS 65 -11.346 1.698 -1.051 439 1HB CYS 65 HB2 CYS 65 -11.100 -0.172 0.523 440 2HB CYS 65 HB1 CYS 65 -12.858 -0.454 0.518 441 H HIS 66 HN HIS 66 -12.140 1.933 -3.147 442 HA HIS 66 HA HIS 66 -14.487 0.771 -3.953 443 1HB HIS 66 HB2 HIS 66 -15.568 2.895 -4.878 444 2HB HIS 66 HB1 HIS 66 -15.671 2.821 -3.089 445 HD1 HIS 66 HD1 HIS 66 -14.006 4.758 -5.847 446 HD2 HIS 66 HD2 HIS 66 -14.160 4.740 -1.654 447 HE1 HIS 66 HE1 HIS 66 -12.939 6.912 -5.047 448 HE2 HIS 66 HE2 HIS 66 -13.026 6.845 -2.515 449 H SER 67 HN SER 67 -14.338 1.479 -6.564 450 HA SER 67 HA SER 67 -12.427 3.041 -7.531 451 1HB SER 67 HB2 SER 67 -11.595 0.044 -7.397 452 2HB SER 67 HB1 SER 67 -10.982 1.172 -8.668 453 HG SER 67 HG SER 67 -10.773 1.628 -5.872 454 1HN NH2 68 H1 NH2 68 -12.586 2.005 -10.099 455 2HN NH2 68 H2 NH2 68 -14.198 1.444 -10.418 Start of MODEL 37 1 1H VAL 1 HT1 VAL 1 6.989 12.162 6.326 2 2H VAL 1 HT2 VAL 1 5.784 12.978 5.455 3 3H VAL 1 HT3 VAL 1 7.311 12.723 4.751 4 HA VAL 1 HA VAL 1 5.678 11.251 3.865 5 HB VAL 1 HB VAL 1 6.813 9.029 4.379 6 1HG1 VAL 1 HG11 VAL 1 8.733 11.378 3.839 7 2HG1 VAL 1 HG12 VAL 1 7.693 10.531 2.623 8 3HG1 VAL 1 HG13 VAL 1 9.009 9.639 3.462 9 1HG2 VAL 1 HG21 VAL 1 8.454 10.675 6.421 10 2HG2 VAL 1 HG22 VAL 1 8.767 8.984 5.896 11 3HG2 VAL 1 HG23 VAL 1 7.274 9.365 6.810 12 H ARG 2 HN ARG 2 4.424 9.193 4.213 13 HA ARG 2 HA ARG 2 3.289 8.988 6.944 14 1HB ARG 2 HB2 ARG 2 2.459 7.292 4.491 15 2HB ARG 2 HB1 ARG 2 1.695 7.348 6.113 16 1HG ARG 2 HG2 ARG 2 0.175 8.440 4.866 17 2HG ARG 2 HG1 ARG 2 1.088 9.841 5.516 18 1HD ARG 2 HD2 ARG 2 2.133 10.255 3.323 19 2HD ARG 2 HD1 ARG 2 1.751 8.580 2.767 20 HE ARG 2 HE ARG 2 -0.357 9.253 2.115 21 1HH1 ARG 2 HH21 ARG 2 0.885 11.748 4.377 22 2HH1 ARG 2 HH22 ARG 2 -0.433 12.832 4.096 23 1HH2 ARG 2 HH11 ARG 2 -2.062 10.734 1.727 24 2HH2 ARG 2 HH12 ARG 2 -2.131 12.255 2.557 25 H ASP 3 HN ASP 3 3.201 6.413 7.572 26 HA ASP 3 HA ASP 3 4.993 4.854 5.965 27 1HB ASP 3 HB2 ASP 3 4.775 4.495 9.050 28 2HB ASP 3 HB1 ASP 3 5.767 3.533 7.901 29 H GLY 4 HN GLY 4 3.421 2.968 5.510 30 1HA GLY 4 HA2 GLY 4 1.184 2.825 7.214 31 2HA GLY 4 HA1 GLY 4 0.848 3.690 5.638 32 H TYR 5 HN TYR 5 -0.490 1.432 5.712 33 HA TYR 5 HA TYR 5 1.105 -0.535 4.256 34 1HB TYR 5 HB2 TYR 5 -1.826 -0.374 5.181 35 2HB TYR 5 HB1 TYR 5 -1.360 -1.438 3.790 36 HD1 TYR 5 HD1 TYR 5 -0.240 -3.453 4.097 37 HD2 TYR 5 HD2 TYR 5 -0.753 -0.804 7.444 38 HE1 TYR 5 HE1 TYR 5 0.675 -5.162 5.565 39 HE2 TYR 5 HE2 TYR 5 0.174 -2.512 8.942 40 HH TYR 5 HH TYR 5 1.389 -4.473 9.009 41 H ILE 6 HN ILE 6 0.813 -0.613 1.955 42 HA ILE 6 HA ILE 6 -0.137 1.972 0.936 43 HB ILE 6 HB ILE 6 2.136 1.469 0.293 44 1HG1 ILE 6 HG12 ILE 6 0.143 1.478 -2.056 45 2HG1 ILE 6 HG11 ILE 6 0.597 2.901 -1.063 46 1HG2 ILE 6 HG21 ILE 6 2.088 -0.963 0.226 47 2HG2 ILE 6 HG22 ILE 6 2.623 -0.336 -1.364 48 3HG2 ILE 6 HG23 ILE 6 0.949 -0.974 -1.176 49 1HD1 ILE 6 HD11 ILE 6 3.015 2.581 -1.832 50 2HD1 ILE 6 HD12 ILE 6 1.849 2.950 -3.147 51 3HD1 ILE 6 HD13 ILE 6 2.444 1.267 -2.919 52 H ALA 7 HN ALA 7 -1.716 2.092 -0.369 53 HA ALA 7 HA ALA 7 -3.482 -0.157 -0.756 54 1HB ALA 7 HB1 ALA 7 -4.004 2.872 -1.142 55 2HB ALA 7 HB2 ALA 7 -4.461 1.931 0.317 56 3HB ALA 7 HB3 ALA 7 -5.239 1.559 -1.233 57 H GLN 8 HN GLN 8 -4.712 1.717 -2.917 58 HA GLN 8 HA GLN 8 -2.704 1.886 -4.920 59 1HB GLN 8 HB2 GLN 8 -3.903 -0.194 -5.658 60 2HB GLN 8 HB1 GLN 8 -5.449 0.467 -5.055 61 1HG GLN 8 HG2 GLN 8 -5.377 2.237 -6.913 62 2HG GLN 8 HG1 GLN 8 -4.005 1.315 -7.638 63 1HE2 GLN 8 HE22 GLN 8 -4.688 -1.329 -7.259 64 2HE2 GLN 8 HE21 GLN 8 -6.233 -1.709 -7.953 65 HA PRO 9 HA PRO 9 -4.988 5.484 -3.727 66 1HB PRO 9 HB2 PRO 9 -4.671 7.266 -5.888 67 2HB PRO 9 HB1 PRO 9 -3.333 6.823 -4.755 68 1HG PRO 9 HG1 PRO 9 -3.954 5.561 -7.483 69 2HG PRO 9 HG2 PRO 9 -2.362 6.190 -6.880 70 1HD PRO 9 HD1 PRO 9 -3.020 3.507 -6.726 71 2HD PRO 9 HD2 PRO 9 -2.131 4.308 -5.350 72 H GLU 10 HN GLU 10 -8.298 5.591 -5.100 73 HA GLU 10 HA GLU 10 -6.342 7.308 -3.774 74 1HB GLU 10 HB2 GLU 10 -9.373 7.367 -4.091 75 2HB GLU 10 HB1 GLU 10 -8.466 8.507 -3.037 76 1HG GLU 10 HG2 GLU 10 -7.203 9.350 -5.029 77 2HG GLU 10 HG1 GLU 10 -8.050 8.157 -6.085 78 H ASN 11 HN ASN 11 -8.351 4.353 -3.230 79 HA ASN 11 HA ASN 11 -7.172 4.099 -0.783 80 1HB ASN 11 HB2 ASN 11 -9.296 5.429 -0.041 81 2HB ASN 11 HB1 ASN 11 -10.292 4.205 -0.924 82 1HD2 ASN 11 HD22 ASN 11 -11.294 3.405 1.094 83 2HD2 ASN 11 HD21 ASN 11 -10.322 2.747 2.414 84 H CYS 12 HN CYS 12 -7.498 1.794 -0.521 85 HA CYS 12 HA CYS 12 -8.928 -0.015 -1.724 86 1HB CYS 12 HB2 CYS 12 -7.473 1.086 -3.964 87 2HB CYS 12 HB1 CYS 12 -6.648 -0.340 -3.575 88 H VAL 13 HN VAL 13 -6.563 -1.828 -2.416 89 HA VAL 13 HA VAL 13 -4.842 -1.490 -0.182 90 HB VAL 13 HB VAL 13 -4.540 -3.971 -0.021 91 1HG1 VAL 13 HG11 VAL 13 -5.788 -2.956 1.800 92 2HG1 VAL 13 HG12 VAL 13 -6.665 -4.435 1.307 93 3HG1 VAL 13 HG13 VAL 13 -7.271 -2.800 0.803 94 1HG2 VAL 13 HG21 VAL 13 -6.317 -5.476 -0.832 95 2HG2 VAL 13 HG22 VAL 13 -5.515 -4.649 -2.194 96 3HG2 VAL 13 HG23 VAL 13 -7.162 -4.108 -1.651 97 H TYR 14 HN TYR 14 -2.705 -2.606 -1.208 98 HA TYR 14 HA TYR 14 -3.066 -2.726 -4.103 99 1HB TYR 14 HB2 TYR 14 -0.768 -1.805 -2.545 100 2HB TYR 14 HB1 TYR 14 -0.287 -3.315 -3.372 101 HD1 TYR 14 HD1 TYR 14 0.822 -0.543 -3.773 102 HD2 TYR 14 HD2 TYR 14 -2.156 -2.748 -5.981 103 HE1 TYR 14 HE1 TYR 14 1.404 0.695 -5.806 104 HE2 TYR 14 HE2 TYR 14 -1.615 -1.468 -7.987 105 HH TYR 14 HH TYR 14 1.127 0.804 -8.097 106 H HIS 15 HN HIS 15 -1.610 -4.955 -4.811 107 HA HIS 15 HA HIS 15 -2.627 -6.968 -2.895 108 1HB HIS 15 HB2 HIS 15 -2.495 -7.023 -5.932 109 2HB HIS 15 HB1 HIS 15 -2.474 -8.532 -4.947 110 HD1 HIS 15 HD1 HIS 15 -4.697 -5.391 -5.080 111 HD2 HIS 15 HD2 HIS 15 -4.885 -9.481 -4.165 112 HE1 HIS 15 HE1 HIS 15 -7.093 -5.909 -4.442 113 HE2 HIS 15 HE2 HIS 15 -7.158 -8.381 -3.875 114 H CYS 16 HN CYS 16 -1.103 -7.774 -1.699 115 HA CYS 16 HA CYS 16 1.613 -7.777 -2.710 116 1HB CYS 16 HB2 CYS 16 0.759 -7.159 -0.219 117 2HB CYS 16 HB1 CYS 16 0.845 -8.912 0.018 118 H PHE 17 HN PHE 17 2.849 -9.801 -2.750 119 HA PHE 17 HA PHE 17 1.157 -12.145 -3.086 120 1HB PHE 17 HB2 PHE 17 3.820 -11.439 -4.532 121 2HB PHE 17 HB1 PHE 17 2.751 -12.853 -4.831 122 HD1 PHE 17 HD1 PHE 17 0.440 -12.430 -5.840 123 HD2 PHE 17 HD2 PHE 17 3.370 -9.300 -5.497 124 HE1 PHE 17 HE1 PHE 17 -0.853 -11.040 -7.422 125 HE2 PHE 17 HE2 PHE 17 2.078 -7.916 -7.087 126 HZ PHE 17 HZ PHE 17 -0.036 -8.778 -8.048 127 HA PRO 18 HA PRO 18 3.904 -12.422 0.470 128 1HB PRO 18 HB2 PRO 18 3.251 -15.413 0.105 129 2HB PRO 18 HB1 PRO 18 3.445 -14.519 1.673 130 1HG PRO 18 HG1 PRO 18 0.932 -14.934 0.691 131 2HG PRO 18 HG2 PRO 18 1.375 -13.278 1.282 132 1HD PRO 18 HD1 PRO 18 1.215 -14.265 -1.613 133 2HD PRO 18 HD2 PRO 18 0.744 -12.657 -0.896 134 H GLY 19 HN GLY 19 6.141 -12.731 0.776 135 1HA GLY 19 HA2 GLY 19 8.206 -13.681 -0.108 136 2HA GLY 19 HA1 GLY 19 7.434 -13.498 -1.753 137 H SER 20 HN SER 20 6.007 -11.344 -1.685 138 HA SER 20 HA SER 20 5.669 -9.271 -1.181 139 1HB SER 20 HB2 SER 20 8.555 -8.632 -0.407 140 2HB SER 20 HB1 SER 20 7.082 -7.611 -0.193 141 HG SER 20 HG SER 20 7.808 -10.061 0.995 142 H SER 21 HN SER 21 7.979 -10.712 -3.257 143 HA SER 21 HA SER 21 9.478 -8.887 -4.218 144 1HB SER 21 HB2 SER 21 8.134 -10.884 -6.120 145 2HB SER 21 HB1 SER 21 9.871 -10.401 -6.023 146 HG SER 21 HG SER 21 9.546 -12.422 -5.074 147 H GLY 22 HN GLY 22 6.205 -9.468 -5.604 148 1HA GLY 22 HA2 GLY 22 6.540 -7.551 -7.651 149 2HA GLY 22 HA1 GLY 22 5.003 -8.303 -7.085 150 H CYS 23 HN CYS 23 5.222 -7.326 -4.290 151 HA CYS 23 HA CYS 23 4.067 -4.762 -5.065 152 1HB CYS 23 HB2 CYS 23 2.805 -6.462 -3.645 153 2HB CYS 23 HB1 CYS 23 3.857 -5.944 -2.279 154 H ASP 24 HN ASP 24 6.854 -6.067 -3.290 155 HA ASP 24 HA ASP 24 7.626 -3.620 -2.137 156 1HB ASP 24 HB2 ASP 24 8.660 -5.849 -1.581 157 2HB ASP 24 HB1 ASP 24 9.401 -5.904 -3.215 158 H THR 25 HN THR 25 8.047 -5.048 -5.430 159 HA THR 25 HA THR 25 9.503 -2.906 -6.474 160 HB THR 25 HB THR 25 7.463 -4.588 -7.981 161 HG1 THR 25 HG1 THR 25 8.860 -6.038 -6.937 162 1HG2 THR 25 HG21 THR 25 8.437 -2.645 -9.260 163 2HG2 THR 25 HG22 THR 25 9.060 -4.205 -9.902 164 3HG2 THR 25 HG23 THR 25 10.101 -3.193 -8.833 165 H LEU 26 HN LEU 26 5.895 -3.449 -6.332 166 HA LEU 26 HA LEU 26 5.186 -1.079 -7.597 167 1HB LEU 26 HB2 LEU 26 3.697 -2.559 -5.346 168 2HB LEU 26 HB1 LEU 26 3.012 -1.214 -6.301 169 HG LEU 26 HG LEU 26 3.933 -3.865 -7.532 170 1HD1 LEU 26 HD11 LEU 26 1.508 -4.423 -7.681 171 2HD1 LEU 26 HD12 LEU 26 1.096 -2.918 -6.774 172 3HD1 LEU 26 HD13 LEU 26 2.028 -4.230 -5.972 173 1HD2 LEU 26 HD21 LEU 26 2.288 -1.534 -8.708 174 2HD2 LEU 26 HD22 LEU 26 2.627 -3.108 -9.520 175 3HD2 LEU 26 HD23 LEU 26 3.977 -1.979 -9.163 176 H CYS 27 HN CYS 27 5.769 -1.731 -4.139 177 HA CYS 27 HA CYS 27 5.195 0.737 -3.087 178 1HB CYS 27 HB2 CYS 27 5.801 -1.362 -1.796 179 2HB CYS 27 HB1 CYS 27 7.503 -1.143 -2.295 180 H LYS 28 HN LYS 28 8.257 -0.364 -4.700 181 HA LYS 28 HA LYS 28 9.682 1.967 -4.045 182 1HB LYS 28 HB2 LYS 28 10.111 -0.028 -6.320 183 2HB LYS 28 HB1 LYS 28 11.219 1.348 -5.976 184 1HG LYS 28 HG2 LYS 28 11.607 0.506 -3.668 185 2HG LYS 28 HG1 LYS 28 10.529 -0.887 -3.975 186 1HD LYS 28 HD2 LYS 28 12.038 -1.609 -5.877 187 2HD LYS 28 HD1 LYS 28 13.177 -0.289 -5.435 188 1HE LYS 28 HE2 LYS 28 12.320 -2.647 -3.605 189 2HE LYS 28 HE1 LYS 28 13.894 -2.507 -4.490 190 1HZ LYS 28 HZ1 LYS 28 12.896 -0.704 -2.345 191 2HZ LYS 28 HZ2 LYS 28 14.346 -0.505 -3.206 192 3HZ LYS 28 HZ3 LYS 28 14.124 -1.870 -2.222 193 H GLU 29 HN GLU 29 7.735 1.169 -6.993 194 HA GLU 29 HA GLU 29 8.484 3.608 -8.240 195 1HB GLU 29 HB2 GLU 29 6.710 3.109 -9.922 196 2HB GLU 29 HB1 GLU 29 7.901 1.792 -9.683 197 1HG GLU 29 HG2 GLU 29 6.310 0.528 -8.293 198 2HG GLU 29 HG1 GLU 29 5.089 1.852 -8.398 199 H LYS 30 HN LYS 30 6.352 3.080 -5.634 200 HA LYS 30 HA LYS 30 4.843 5.530 -6.288 201 1HB LYS 30 HB2 LYS 30 4.419 3.432 -4.094 202 2HB LYS 30 HB1 LYS 30 3.431 4.921 -4.301 203 1HG LYS 30 HG2 LYS 30 3.691 2.662 -6.388 204 2HG LYS 30 HG1 LYS 30 2.335 2.865 -5.236 205 1HD LYS 30 HD2 LYS 30 1.845 5.127 -6.257 206 2HD LYS 30 HD1 LYS 30 3.119 4.810 -7.493 207 1HE LYS 30 HE2 LYS 30 1.863 2.769 -8.272 208 2HE LYS 30 HE1 LYS 30 0.569 3.109 -7.052 209 1HZ LYS 30 HZ1 LYS 30 0.207 5.234 -8.138 210 2HZ LYS 30 HZ2 LYS 30 -0.007 3.932 -9.207 211 3HZ LYS 30 HZ3 LYS 30 1.398 4.879 -9.294 212 H GLY 31 HN GLY 31 7.722 4.583 -4.839 213 1HA GLY 31 HA2 GLY 31 9.165 6.047 -4.004 214 2HA GLY 31 HA1 GLY 31 7.836 7.203 -3.619 215 H GLY 32 HN GLY 32 7.676 3.779 -2.590 216 1HA GLY 32 HA2 GLY 32 8.340 4.632 0.149 217 2HA GLY 32 HA1 GLY 32 7.431 3.160 -0.395 218 H THR 33 HN THR 33 10.374 3.882 1.002 219 HA THR 33 HA THR 33 12.162 3.257 -0.992 220 HB THR 33 HB THR 33 13.503 3.034 1.418 221 HG1 THR 33 HG1 THR 33 12.389 4.244 2.898 222 1HG2 THR 33 HG21 THR 33 13.868 4.728 -0.414 223 2HG2 THR 33 HG22 THR 33 13.826 5.518 1.201 224 3HG2 THR 33 HG23 THR 33 12.394 5.624 0.110 225 H SER 34 HN SER 34 10.484 1.223 1.479 226 HA SER 34 HA SER 34 11.007 -0.999 -0.046 227 1HB SER 34 HB2 SER 34 12.511 -0.820 2.662 228 2HB SER 34 HB1 SER 34 12.078 -2.393 1.884 229 HG SER 34 HG SER 34 13.375 -0.430 0.359 230 H GLY 35 HN GLY 35 9.857 -2.893 1.525 231 1HA GLY 35 HA2 GLY 35 7.977 -2.068 3.299 232 2HA GLY 35 HA1 GLY 35 7.372 -2.014 1.560 233 H HIS 36 HN HIS 36 6.217 -4.233 2.690 234 HA HIS 36 HA HIS 36 7.516 -6.393 1.567 235 1HB HIS 36 HB2 HIS 36 7.261 -6.398 4.666 236 2HB HIS 36 HB1 HIS 36 7.632 -7.828 3.641 237 HD1 HIS 36 HD1 HIS 36 9.254 -4.879 5.243 238 HD2 HIS 36 HD2 HIS 36 10.272 -7.848 2.453 239 HE1 HIS 36 HE1 HIS 36 11.772 -4.828 4.974 240 HE2 HIS 36 HE2 HIS 36 12.344 -6.621 3.278 241 H CYS 37 HN CYS 37 5.768 -8.299 2.586 242 HA CYS 37 HA CYS 37 3.162 -7.014 2.358 243 1HB CYS 37 HB2 CYS 37 3.753 -9.963 3.013 244 2HB CYS 37 HB1 CYS 37 2.174 -9.261 2.539 245 H GLY 38 HN GLY 38 1.385 -7.705 4.072 246 1HA GLY 38 HA2 GLY 38 2.112 -8.672 6.510 247 2HA GLY 38 HA1 GLY 38 1.915 -6.840 6.556 248 H PHE 39 HN PHE 39 -0.444 -7.972 7.715 249 HA PHE 39 HA PHE 39 -2.254 -7.576 5.539 250 1HB PHE 39 HB2 PHE 39 -1.745 -10.144 5.563 251 2HB PHE 39 HB1 PHE 39 -2.313 -10.171 7.267 252 HD1 PHE 39 HD1 PHE 39 -4.159 -8.074 4.670 253 HD2 PHE 39 HD2 PHE 39 -3.870 -11.897 6.667 254 HE1 PHE 39 HE1 PHE 39 -6.340 -8.712 3.793 255 HE2 PHE 39 HE2 PHE 39 -6.067 -12.520 5.752 256 HZ PHE 39 HZ PHE 39 -7.313 -10.936 4.306 257 H LYS 40 HN LYS 40 -3.937 -6.365 6.549 258 HA LYS 40 HA LYS 40 -4.295 -6.733 9.416 259 1HB LYS 40 HB2 LYS 40 -3.936 -3.997 8.005 260 2HB LYS 40 HB1 LYS 40 -4.603 -4.198 9.661 261 1HG LYS 40 HG2 LYS 40 -1.771 -5.056 8.827 262 2HG LYS 40 HG1 LYS 40 -2.179 -3.478 9.576 263 1HD LYS 40 HD2 LYS 40 -2.960 -4.520 11.626 264 2HD LYS 40 HD1 LYS 40 -2.824 -6.171 10.937 265 1HE LYS 40 HE2 LYS 40 -0.401 -4.294 11.350 266 2HE LYS 40 HE1 LYS 40 -0.935 -5.574 12.515 267 1HZ LYS 40 HZ1 LYS 40 -0.677 -7.191 10.731 268 2HZ LYS 40 HZ2 LYS 40 0.776 -6.395 11.113 269 3HZ LYS 40 HZ3 LYS 40 -0.078 -5.985 9.700 270 H VAL 41 HN VAL 41 -5.545 -7.905 7.263 271 HA VAL 41 HA VAL 41 -7.311 -8.146 6.066 272 HB VAL 41 HB VAL 41 -8.908 -6.526 8.018 273 1HG1 VAL 41 HG11 VAL 41 -9.428 -9.173 6.443 274 2HG1 VAL 41 HG12 VAL 41 -10.104 -7.584 5.956 275 3HG1 VAL 41 HG13 VAL 41 -10.619 -8.338 7.503 276 1HG2 VAL 41 HG21 VAL 41 -7.717 -9.345 8.406 277 2HG2 VAL 41 HG22 VAL 41 -9.058 -8.653 9.393 278 3HG2 VAL 41 HG23 VAL 41 -7.442 -7.882 9.433 279 H GLY 42 HN GLY 42 -9.419 -5.847 6.137 280 1HA GLY 42 HA2 GLY 42 -9.584 -3.729 5.240 281 2HA GLY 42 HA1 GLY 42 -7.988 -3.947 4.404 282 H HIS 43 HN HIS 43 -8.160 -4.466 2.282 283 HA HIS 43 HA HIS 43 -10.775 -5.481 1.350 284 1HB HIS 43 HB2 HIS 43 -8.808 -3.683 -0.174 285 2HB HIS 43 HB1 HIS 43 -10.456 -4.099 -0.661 286 HD1 HIS 43 HD1 HIS 43 -9.166 -1.201 -0.128 287 HD2 HIS 43 HD2 HIS 43 -11.810 -3.203 2.445 288 HE1 HIS 43 HE1 HIS 43 -10.302 0.552 1.273 289 HE2 HIS 43 HE2 HIS 43 -11.873 -0.703 2.848 290 H GLY 44 HN GLY 44 -7.585 -6.573 1.861 291 1HA GLY 44 HA2 GLY 44 -7.704 -8.790 0.475 292 2HA GLY 44 HA1 GLY 44 -7.094 -7.560 -0.741 293 H LEU 45 HN LEU 45 -4.960 -8.975 -0.293 294 HA LEU 45 HA LEU 45 -3.851 -8.481 2.316 295 1HB LEU 45 HB2 LEU 45 -3.827 -10.704 0.937 296 2HB LEU 45 HB1 LEU 45 -2.435 -9.994 0.066 297 HG LEU 45 HG LEU 45 -2.555 -10.076 3.136 298 1HD1 LEU 45 HD11 LEU 45 -1.475 -12.315 3.158 299 2HD1 LEU 45 HD12 LEU 45 -1.668 -12.439 1.369 300 3HD1 LEU 45 HD13 LEU 45 -3.125 -12.375 2.434 301 1HD2 LEU 45 HD21 LEU 45 -0.663 -8.807 2.051 302 2HD2 LEU 45 HD22 LEU 45 -0.155 -10.329 1.215 303 3HD2 LEU 45 HD23 LEU 45 -0.093 -10.215 3.012 304 H ALA 46 HN ALA 46 -3.298 -6.399 2.476 305 HA ALA 46 HA ALA 46 -2.381 -4.843 0.316 306 1HB ALA 46 HB1 ALA 46 -2.436 -4.180 3.322 307 2HB ALA 46 HB2 ALA 46 -3.805 -3.951 2.190 308 3HB ALA 46 HB3 ALA 46 -2.305 -2.987 1.967 309 H CYS 47 HN CYS 47 -0.301 -3.138 1.044 310 HA CYS 47 HA CYS 47 1.816 -5.123 1.725 311 1HB CYS 47 HB2 CYS 47 2.416 -2.957 -0.293 312 2HB CYS 47 HB1 CYS 47 3.208 -4.532 -0.031 313 H TRP 48 HN TRP 48 3.776 -3.915 2.607 314 HA TRP 48 HA TRP 48 2.852 -1.517 4.044 315 1HB TRP 48 HB2 TRP 48 3.799 -3.346 5.441 316 2HB TRP 48 HB1 TRP 48 5.285 -3.362 4.441 317 HD1 TRP 48 HD1 TRP 48 7.260 -1.826 5.393 318 HE1 TRP 48 HE1 TRP 48 7.482 -0.167 7.354 319 HE3 TRP 48 HE3 TRP 48 2.335 -1.485 6.638 320 HZ2 TRP 48 HZ2 TRP 48 5.717 1.304 9.045 321 HZ3 TRP 48 HZ3 TRP 48 1.656 0.030 8.474 322 HH2 TRP 48 HH2 TRP 48 3.327 1.423 9.649 323 H CYS 49 HN CYS 49 4.290 0.442 3.951 324 HA CYS 49 HA CYS 49 6.583 0.235 2.257 325 1HB CYS 49 HB2 CYS 49 4.359 2.353 1.873 326 2HB CYS 49 HB1 CYS 49 6.064 2.619 1.388 327 H ASN 50 HN ASN 50 8.162 1.550 3.295 328 HA ASN 50 HA ASN 50 7.231 2.418 5.947 329 1HB ASN 50 HB2 ASN 50 9.067 0.515 5.457 330 2HB ASN 50 HB1 ASN 50 10.183 1.912 5.319 331 1HD2 ASN 50 HD21 ASN 50 9.707 3.604 7.284 332 2HD2 ASN 50 HD22 ASN 50 9.678 2.856 8.873 333 H ALA 51 HN ALA 51 7.155 4.101 3.366 334 HA ALA 51 HA ALA 51 7.494 6.467 4.629 335 1HB ALA 51 HB1 ALA 51 9.498 5.858 2.322 336 2HB ALA 51 HB2 ALA 51 9.964 6.401 3.975 337 3HB ALA 51 HB3 ALA 51 9.046 7.509 2.891 338 H LEU 52 HN LEU 52 5.911 7.599 3.182 339 HA LEU 52 HA LEU 52 6.172 6.951 0.452 340 1HB LEU 52 HB2 LEU 52 3.461 6.625 1.896 341 2HB LEU 52 HB1 LEU 52 3.513 7.255 0.216 342 HG LEU 52 HG LEU 52 4.749 4.579 1.025 343 1HD1 LEU 52 HD11 LEU 52 2.348 4.499 1.518 344 2HD1 LEU 52 HD12 LEU 52 2.800 3.450 0.131 345 3HD1 LEU 52 HD13 LEU 52 1.964 5.019 -0.173 346 1HD2 LEU 52 HD21 LEU 52 4.008 5.664 -1.773 347 2HD2 LEU 52 HD22 LEU 52 4.730 4.060 -1.394 348 3HD2 LEU 52 HD23 LEU 52 5.660 5.552 -1.092 349 HA PRO 53 HA PRO 53 5.813 11.267 1.495 350 1HB PRO 53 HB2 PRO 53 5.583 12.467 -1.026 351 2HB PRO 53 HB1 PRO 53 7.115 11.733 -0.420 352 1HG PRO 53 HG1 PRO 53 5.043 10.482 -2.284 353 2HG PRO 53 HG2 PRO 53 6.842 10.492 -2.447 354 1HD PRO 53 HD1 PRO 53 5.397 8.343 -1.359 355 2HD PRO 53 HD2 PRO 53 7.077 8.748 -0.821 356 H ASP 54 HN ASP 54 4.250 13.192 1.107 357 HA ASP 54 HA ASP 54 1.822 12.191 1.970 358 1HB ASP 54 HB2 ASP 54 2.691 15.018 1.164 359 2HB ASP 54 HB1 ASP 54 1.134 14.662 2.018 360 H ASN 55 HN ASN 55 2.736 12.515 -1.259 361 HA ASN 55 HA ASN 55 0.117 13.410 -2.184 362 1HB ASN 55 HB2 ASN 55 1.134 13.297 -4.477 363 2HB ASN 55 HB1 ASN 55 2.063 14.354 -3.368 364 1HD2 ASN 55 HD22 ASN 55 2.201 11.372 -5.288 365 2HD2 ASN 55 HD21 ASN 55 3.880 11.037 -4.986 366 H VAL 56 HN VAL 56 1.164 10.537 -0.945 367 HA VAL 56 HA VAL 56 -0.013 8.937 -3.115 368 HB VAL 56 HB VAL 56 1.626 7.915 -0.745 369 1HG1 VAL 56 HG11 VAL 56 1.960 5.969 -2.330 370 2HG1 VAL 56 HG12 VAL 56 0.919 6.779 -3.549 371 3HG1 VAL 56 HG13 VAL 56 0.223 6.238 -1.969 372 1HG2 VAL 56 HG21 VAL 56 2.616 8.958 -3.486 373 2HG2 VAL 56 HG22 VAL 56 3.583 7.906 -2.383 374 3HG2 VAL 56 HG23 VAL 56 3.086 9.538 -1.855 375 H GLY 57 HN GLY 57 -1.873 7.657 -2.490 376 1HA GLY 57 HA2 GLY 57 -2.940 8.369 0.160 377 2HA GLY 57 HA1 GLY 57 -3.900 8.009 -1.348 378 H ILE 58 HN ILE 58 -3.938 6.504 1.268 379 HA ILE 58 HA ILE 58 -2.738 3.987 0.452 380 HB ILE 58 HB ILE 58 -1.769 3.751 2.735 381 1HG1 ILE 58 HG12 ILE 58 -2.328 6.776 2.996 382 2HG1 ILE 58 HG11 ILE 58 -3.132 5.471 3.938 383 1HG2 ILE 58 HG21 ILE 58 -0.595 6.129 1.181 384 2HG2 ILE 58 HG22 ILE 58 -0.503 4.414 0.629 385 3HG2 ILE 58 HG23 ILE 58 0.264 4.897 2.179 386 1HD1 ILE 58 HD11 ILE 58 -0.854 4.762 4.808 387 2HD1 ILE 58 HD12 ILE 58 -1.331 6.433 5.297 388 3HD1 ILE 58 HD13 ILE 58 -0.130 6.193 3.978 389 H ILE 59 HN ILE 59 -3.342 2.816 3.104 390 HA ILE 59 HA ILE 59 -6.002 2.190 2.423 391 HB ILE 59 HB ILE 59 -4.713 1.412 5.080 392 1HG1 ILE 59 HG12 ILE 59 -3.034 0.924 3.280 393 2HG1 ILE 59 HG11 ILE 59 -3.669 -0.491 4.171 394 1HG2 ILE 59 HG21 ILE 59 -6.103 -0.706 4.623 395 2HG2 ILE 59 HG22 ILE 59 -6.832 0.137 3.203 396 3HG2 ILE 59 HG23 ILE 59 -7.080 0.778 4.866 397 1HD1 ILE 59 HD11 ILE 59 -5.058 -1.183 2.325 398 2HD1 ILE 59 HD12 ILE 59 -3.408 -0.855 1.676 399 3HD1 ILE 59 HD13 ILE 59 -4.748 0.327 1.427 400 H VAL 60 HN VAL 60 -7.894 2.735 3.424 401 HA VAL 60 HA VAL 60 -8.025 4.125 5.901 402 HB VAL 60 HB VAL 60 -8.978 5.089 3.120 403 1HG1 VAL 60 HG11 VAL 60 -10.225 5.884 5.824 404 2HG1 VAL 60 HG12 VAL 60 -11.029 5.033 4.442 405 3HG1 VAL 60 HG13 VAL 60 -10.491 6.731 4.247 406 1HG2 VAL 60 HG21 VAL 60 -6.831 6.038 3.890 407 2HG2 VAL 60 HG22 VAL 60 -7.578 6.570 5.442 408 3HG2 VAL 60 HG23 VAL 60 -8.100 7.311 3.882 409 H GLU 61 HN GLU 61 -10.396 3.285 6.634 410 HA GLU 61 HA GLU 61 -11.840 1.980 4.658 411 1HB GLU 61 HB2 GLU 61 -10.379 0.034 5.253 412 2HB GLU 61 HB1 GLU 61 -10.774 0.268 7.003 413 1HG GLU 61 HG2 GLU 61 -13.171 -0.313 6.527 414 2HG GLU 61 HG1 GLU 61 -12.814 -0.380 4.760 415 H GLY 62 HN GLY 62 -14.004 1.849 5.732 416 1HA GLY 62 HA2 GLY 62 -15.238 2.752 7.692 417 2HA GLY 62 HA1 GLY 62 -14.105 4.178 7.509 418 H GLU 63 HN GLU 63 -13.566 4.064 4.883 419 HA GLU 63 HA GLU 63 -16.085 4.118 3.398 420 1HB GLU 63 HB2 GLU 63 -14.363 6.100 3.200 421 2HB GLU 63 HB1 GLU 63 -13.294 4.950 2.364 422 1HG GLU 63 HG2 GLU 63 -14.534 6.392 0.769 423 2HG GLU 63 HG1 GLU 63 -15.056 4.687 0.546 424 H LYS 64 HN LYS 64 -13.933 3.244 1.063 425 HA LYS 64 HA LYS 64 -13.320 0.638 1.782 426 1HB LYS 64 HB2 LYS 64 -15.954 0.605 1.279 427 2HB LYS 64 HB1 LYS 64 -15.488 0.979 -0.406 428 1HG LYS 64 HG2 LYS 64 -14.116 -1.208 -0.393 429 2HG LYS 64 HG1 LYS 64 -14.722 -1.511 1.268 430 1HD LYS 64 HD2 LYS 64 -17.059 -1.553 0.426 431 2HD LYS 64 HD1 LYS 64 -16.503 -1.162 -1.236 432 1HE LYS 64 HE2 LYS 64 -15.729 -3.727 0.332 433 2HE LYS 64 HE1 LYS 64 -17.034 -3.617 -0.917 434 1HZ LYS 64 HZ1 LYS 64 -15.403 -3.018 -2.540 435 2HZ LYS 64 HZ2 LYS 64 -14.962 -4.472 -1.783 436 3HZ LYS 64 HZ3 LYS 64 -14.157 -3.032 -1.385 437 H CYS 65 HN CYS 65 -12.996 -0.041 -0.973 438 HA CYS 65 HA CYS 65 -10.847 1.604 -1.703 439 1HB CYS 65 HB2 CYS 65 -10.896 -0.825 -2.255 440 2HB CYS 65 HB1 CYS 65 -12.406 -0.603 -3.167 441 H HIS 66 HN HIS 66 -10.596 3.027 -3.508 442 HA HIS 66 HA HIS 66 -12.696 3.240 -5.372 443 1HB HIS 66 HB2 HIS 66 -12.766 5.897 -5.126 444 2HB HIS 66 HB1 HIS 66 -13.899 4.841 -4.231 445 HD1 HIS 66 HD1 HIS 66 -10.766 6.852 -3.531 446 HD2 HIS 66 HD2 HIS 66 -13.886 4.924 -1.502 447 HE1 HIS 66 HE1 HIS 66 -10.603 7.531 -1.095 448 HE2 HIS 66 HE2 HIS 66 -12.505 6.345 0.095 449 H SER 67 HN SER 67 -11.247 2.730 -6.936 450 HA SER 67 HA SER 67 -8.584 3.425 -6.914 451 1HB SER 67 HB2 SER 67 -10.435 2.703 -9.271 452 2HB SER 67 HB1 SER 67 -8.630 2.646 -9.301 453 HG SER 67 HG SER 67 -8.612 0.958 -8.047 454 1HN NH2 68 H1 NH2 68 -7.595 5.329 -7.453 455 2HN NH2 68 H2 NH2 68 -8.299 6.620 -8.418 Start of MODEL 38 1 1H VAL 1 HT1 VAL 1 6.290 13.011 5.890 2 2H VAL 1 HT2 VAL 1 7.745 12.955 5.012 3 3H VAL 1 HT3 VAL 1 7.688 12.383 6.616 4 HA VAL 1 HA VAL 1 6.239 11.294 4.322 5 HB VAL 1 HB VAL 1 7.730 9.314 4.466 6 1HG1 VAL 1 HG11 VAL 1 8.348 11.244 2.962 7 2HG1 VAL 1 HG12 VAL 1 9.772 10.320 3.552 8 3HG1 VAL 1 HG13 VAL 1 9.386 11.918 4.273 9 1HG2 VAL 1 HG21 VAL 1 8.281 9.337 6.901 10 2HG2 VAL 1 HG22 VAL 1 9.210 10.870 6.704 11 3HG2 VAL 1 HG23 VAL 1 9.779 9.359 5.914 12 H ARG 2 HN ARG 2 5.504 8.863 4.920 13 HA ARG 2 HA ARG 2 4.889 8.622 7.757 14 1HB ARG 2 HB2 ARG 2 2.618 7.824 7.397 15 2HB ARG 2 HB1 ARG 2 2.745 9.496 6.790 16 1HG ARG 2 HG2 ARG 2 2.935 7.033 4.934 17 2HG ARG 2 HG1 ARG 2 1.382 7.719 5.454 18 1HD ARG 2 HD2 ARG 2 3.257 9.791 4.265 19 2HD ARG 2 HD1 ARG 2 2.806 8.449 3.159 20 HE ARG 2 HE ARG 2 0.543 9.062 3.216 21 1HH1 ARG 2 HH21 ARG 2 2.452 11.217 5.352 22 2HH1 ARG 2 HH22 ARG 2 1.223 12.433 5.416 23 1HH2 ARG 2 HH11 ARG 2 -1.085 10.700 3.347 24 2HH2 ARG 2 HH12 ARG 2 -0.825 12.112 4.314 25 H ASP 3 HN ASP 3 3.858 6.103 7.879 26 HA ASP 3 HA ASP 3 5.242 4.437 5.965 27 1HB ASP 3 HB2 ASP 3 4.989 3.785 8.997 28 2HB ASP 3 HB1 ASP 3 5.771 2.782 7.725 29 H GLY 4 HN GLY 4 3.553 2.736 5.446 30 1HA GLY 4 HA2 GLY 4 1.368 2.562 7.203 31 2HA GLY 4 HA1 GLY 4 0.995 3.512 5.695 32 H TYR 5 HN TYR 5 -0.435 1.243 5.888 33 HA TYR 5 HA TYR 5 0.813 -0.773 4.236 34 1HB TYR 5 HB2 TYR 5 -2.084 -0.137 5.101 35 2HB TYR 5 HB1 TYR 5 -1.700 -1.415 3.893 36 HD1 TYR 5 HD1 TYR 5 -0.322 -3.366 4.559 37 HD2 TYR 5 HD2 TYR 5 -1.726 -0.513 7.452 38 HE1 TYR 5 HE1 TYR 5 -0.149 -5.065 6.319 39 HE2 TYR 5 HE2 TYR 5 -1.513 -2.209 9.231 40 HH TYR 5 HH TYR 5 -1.443 -5.485 8.529 41 H ILE 6 HN ILE 6 0.752 -0.550 1.928 42 HA ILE 6 HA ILE 6 -0.242 2.071 1.081 43 HB ILE 6 HB ILE 6 2.140 1.598 0.639 44 1HG1 ILE 6 HG12 ILE 6 0.263 2.246 -1.711 45 2HG1 ILE 6 HG11 ILE 6 0.943 3.378 -0.508 46 1HG2 ILE 6 HG21 ILE 6 2.753 0.078 -1.208 47 2HG2 ILE 6 HG22 ILE 6 1.033 -0.377 -1.450 48 3HG2 ILE 6 HG23 ILE 6 1.896 -0.818 0.075 49 1HD1 ILE 6 HD11 ILE 6 3.265 2.878 -1.383 50 2HD1 ILE 6 HD12 ILE 6 2.154 3.530 -2.643 51 3HD1 ILE 6 HD13 ILE 6 2.538 1.779 -2.618 52 H ALA 7 HN ALA 7 -1.654 2.310 -0.373 53 HA ALA 7 HA ALA 7 -3.401 0.168 -1.178 54 1HB ALA 7 HB1 ALA 7 -3.892 3.209 -1.316 55 2HB ALA 7 HB2 ALA 7 -4.497 2.141 0.005 56 3HB ALA 7 HB3 ALA 7 -5.102 1.911 -1.650 57 H GLN 8 HN GLN 8 -4.539 1.771 -3.351 58 HA GLN 8 HA GLN 8 -2.495 2.347 -5.176 59 1HB GLN 8 HB2 GLN 8 -3.675 0.904 -6.959 60 2HB GLN 8 HB1 GLN 8 -2.851 -0.082 -5.689 61 1HG GLN 8 HG2 GLN 8 -5.039 -0.407 -4.526 62 2HG GLN 8 HG1 GLN 8 -5.864 0.478 -5.871 63 1HE2 GLN 8 HE22 GLN 8 -5.278 -2.592 -4.773 64 2HE2 GLN 8 HE21 GLN 8 -5.340 -3.443 -6.300 65 HA PRO 9 HA PRO 9 -5.971 5.089 -5.479 66 1HB PRO 9 HB2 PRO 9 -6.119 4.451 -8.502 67 2HB PRO 9 HB1 PRO 9 -6.257 6.081 -7.723 68 1HG PRO 9 HG1 PRO 9 -3.879 5.339 -8.817 69 2HG PRO 9 HG2 PRO 9 -3.874 6.056 -7.152 70 1HD PRO 9 HD1 PRO 9 -3.719 3.086 -7.915 71 2HD PRO 9 HD2 PRO 9 -2.770 4.017 -6.659 72 H GLU 10 HN GLU 10 -9.249 3.574 -5.937 73 HA GLU 10 HA GLU 10 -7.960 6.169 -5.860 74 1HB GLU 10 HB2 GLU 10 -10.746 5.054 -5.376 75 2HB GLU 10 HB1 GLU 10 -10.341 6.698 -4.775 76 1HG GLU 10 HG2 GLU 10 -9.756 7.478 -7.027 77 2HG GLU 10 HG1 GLU 10 -10.040 5.841 -7.725 78 H ASN 11 HN ASN 11 -9.391 3.691 -3.608 79 HA ASN 11 HA ASN 11 -7.457 4.225 -1.677 80 1HB ASN 11 HB2 ASN 11 -9.349 5.605 -0.621 81 2HB ASN 11 HB1 ASN 11 -10.538 4.352 -1.142 82 1HD2 ASN 11 HD21 ASN 11 -11.166 3.085 0.677 83 2HD2 ASN 11 HD22 ASN 11 -10.128 2.828 2.067 84 H CYS 12 HN CYS 12 -7.264 1.981 -0.985 85 HA CYS 12 HA CYS 12 -8.929 -0.098 -1.583 86 1HB CYS 12 HB2 CYS 12 -6.919 0.507 -3.847 87 2HB CYS 12 HB1 CYS 12 -7.407 -1.183 -3.510 88 H VAL 13 HN VAL 13 -6.566 -1.914 -2.116 89 HA VAL 13 HA VAL 13 -4.630 -1.056 -0.198 90 HB VAL 13 HB VAL 13 -4.240 -3.583 0.199 91 1HG1 VAL 13 HG11 VAL 13 -6.565 -2.071 1.534 92 2HG1 VAL 13 HG12 VAL 13 -4.840 -2.136 2.051 93 3HG1 VAL 13 HG13 VAL 13 -5.849 -3.610 2.169 94 1HG2 VAL 13 HG21 VAL 13 -5.869 -4.444 -1.492 95 2HG2 VAL 13 HG22 VAL 13 -7.238 -3.719 -0.564 96 3HG2 VAL 13 HG23 VAL 13 -6.246 -5.040 0.157 97 H TYR 14 HN TYR 14 -2.525 -1.976 -1.202 98 HA TYR 14 HA TYR 14 -2.949 -2.677 -3.993 99 1HB TYR 14 HB2 TYR 14 -0.715 -1.333 -2.610 100 2HB TYR 14 HB1 TYR 14 -0.104 -2.896 -3.227 101 HD1 TYR 14 HD1 TYR 14 0.601 0.002 -4.040 102 HD2 TYR 14 HD2 TYR 14 -1.886 -3.034 -5.837 103 HE1 TYR 14 HE1 TYR 14 0.902 1.047 -6.243 104 HE2 TYR 14 HE2 TYR 14 -1.629 -1.970 -8.006 105 HH TYR 14 HH TYR 14 -0.904 -0.084 -9.117 106 H HIS 15 HN HIS 15 -1.816 -5.022 -4.469 107 HA HIS 15 HA HIS 15 -2.308 -6.569 -2.005 108 1HB HIS 15 HB2 HIS 15 -2.721 -7.308 -4.941 109 2HB HIS 15 HB1 HIS 15 -2.629 -8.528 -3.622 110 HD1 HIS 15 HD1 HIS 15 -4.785 -5.505 -4.509 111 HD2 HIS 15 HD2 HIS 15 -4.844 -8.928 -2.086 112 HE1 HIS 15 HE1 HIS 15 -7.086 -5.642 -3.438 113 HE2 HIS 15 HE2 HIS 15 -7.068 -7.706 -1.981 114 H CYS 16 HN CYS 16 -0.942 -8.918 -2.797 115 HA CYS 16 HA CYS 16 1.788 -8.052 -3.063 116 1HB CYS 16 HB2 CYS 16 1.359 -7.972 -0.561 117 2HB CYS 16 HB1 CYS 16 0.416 -9.473 -0.671 118 H PHE 17 HN PHE 17 2.936 -10.089 -3.686 119 HA PHE 17 HA PHE 17 1.201 -12.326 -4.290 120 1HB PHE 17 HB2 PHE 17 3.897 -11.552 -5.617 121 2HB PHE 17 HB1 PHE 17 2.800 -12.893 -6.084 122 HD1 PHE 17 HD1 PHE 17 0.116 -11.272 -6.135 123 HD2 PHE 17 HD2 PHE 17 4.077 -10.343 -7.552 124 HE1 PHE 17 HE1 PHE 17 -0.839 -9.800 -7.853 125 HE2 PHE 17 HE2 PHE 17 3.106 -8.866 -9.271 126 HZ PHE 17 HZ PHE 17 0.645 -8.580 -9.425 127 HA PRO 18 HA PRO 18 3.815 -12.912 -0.693 128 1HB PRO 18 HB2 PRO 18 3.334 -15.861 -1.505 129 2HB PRO 18 HB1 PRO 18 3.453 -15.215 0.186 130 1HG PRO 18 HG1 PRO 18 1.004 -15.587 -1.021 131 2HG PRO 18 HG2 PRO 18 1.309 -14.109 -0.014 132 1HD PRO 18 HD1 PRO 18 1.046 -14.284 -3.006 133 2HD PRO 18 HD2 PRO 18 0.883 -12.862 -1.898 134 H GLY 19 HN GLY 19 6.015 -12.860 -0.434 135 1HA GLY 19 HA2 GLY 19 8.171 -13.903 -1.153 136 2HA GLY 19 HA1 GLY 19 7.541 -13.533 -2.827 137 H SER 20 HN SER 20 6.043 -11.358 -2.414 138 HA SER 20 HA SER 20 5.761 -9.336 -1.745 139 1HB SER 20 HB2 SER 20 8.517 -9.071 -0.439 140 2HB SER 20 HB1 SER 20 7.127 -7.929 -0.309 141 HG SER 20 HG SER 20 7.495 -10.485 0.752 142 H SER 21 HN SER 21 7.887 -10.447 -4.070 143 HA SER 21 HA SER 21 9.378 -8.210 -4.608 144 1HB SER 21 HB2 SER 21 9.061 -9.643 -7.048 145 2HB SER 21 HB1 SER 21 10.317 -9.909 -5.793 146 HG SER 21 HG SER 21 9.205 -11.806 -6.188 147 H GLY 22 HN GLY 22 6.125 -9.143 -5.591 148 1HA GLY 22 HA2 GLY 22 5.785 -7.116 -7.546 149 2HA GLY 22 HA1 GLY 22 4.495 -8.008 -6.649 150 H CYS 23 HN CYS 23 4.951 -7.351 -4.064 151 HA CYS 23 HA CYS 23 3.783 -4.840 -3.776 152 1HB CYS 23 HB2 CYS 23 3.400 -6.521 -2.082 153 2HB CYS 23 HB1 CYS 23 5.159 -6.754 -1.833 154 H ASP 24 HN ASP 24 7.181 -5.962 -3.172 155 HA ASP 24 HA ASP 24 8.259 -3.570 -2.429 156 1HB ASP 24 HB2 ASP 24 9.422 -5.805 -2.342 157 2HB ASP 24 HB1 ASP 24 9.594 -5.772 -4.129 158 H THR 25 HN THR 25 7.818 -4.798 -5.822 159 HA THR 25 HA THR 25 9.179 -2.657 -7.014 160 HB THR 25 HB THR 25 6.854 -4.283 -8.125 161 HG1 THR 25 HG1 THR 25 8.469 -5.689 -7.452 162 1HG2 THR 25 HG21 THR 25 7.955 -3.807 -10.352 163 2HG2 THR 25 HG22 THR 25 9.195 -2.796 -9.526 164 3HG2 THR 25 HG23 THR 25 7.472 -2.277 -9.548 165 H LEU 26 HN LEU 26 5.700 -3.114 -6.168 166 HA LEU 26 HA LEU 26 4.860 -0.705 -7.426 167 1HB LEU 26 HB2 LEU 26 3.553 -2.429 -5.234 168 2HB LEU 26 HB1 LEU 26 2.721 -1.102 -6.092 169 HG LEU 26 HG LEU 26 3.958 -3.486 -7.595 170 1HD1 LEU 26 HD11 LEU 26 1.094 -3.292 -6.486 171 2HD1 LEU 26 HD12 LEU 26 2.383 -4.459 -6.002 172 3HD1 LEU 26 HD13 LEU 26 1.696 -4.527 -7.665 173 1HD2 LEU 26 HD21 LEU 26 3.466 -1.476 -8.986 174 2HD2 LEU 26 HD22 LEU 26 1.760 -1.493 -8.426 175 3HD2 LEU 26 HD23 LEU 26 2.404 -2.860 -9.414 176 H CYS 27 HN CYS 27 5.725 -1.652 -4.113 177 HA CYS 27 HA CYS 27 5.240 0.784 -2.869 178 1HB CYS 27 HB2 CYS 27 5.790 -1.410 -1.712 179 2HB CYS 27 HB1 CYS 27 7.482 -1.260 -2.276 180 H LYS 28 HN LYS 28 8.194 -0.434 -4.571 181 HA LYS 28 HA LYS 28 9.832 1.662 -3.806 182 1HB LYS 28 HB2 LYS 28 10.587 -0.553 -4.684 183 2HB LYS 28 HB1 LYS 28 10.012 -0.105 -6.322 184 1HG LYS 28 HG2 LYS 28 11.742 1.701 -6.406 185 2HG LYS 28 HG1 LYS 28 12.217 1.343 -4.706 186 1HD LYS 28 HD2 LYS 28 12.888 -0.968 -5.350 187 2HD LYS 28 HD1 LYS 28 12.418 -0.660 -7.057 188 1HE LYS 28 HE2 LYS 28 14.667 0.815 -5.508 189 2HE LYS 28 HE1 LYS 28 14.894 -0.512 -6.720 190 1HZ LYS 28 HZ1 LYS 28 13.897 0.884 -8.383 191 2HZ LYS 28 HZ2 LYS 28 15.224 1.660 -7.661 192 3HZ LYS 28 HZ3 LYS 28 13.646 2.131 -7.253 193 H GLU 29 HN GLU 29 7.844 1.205 -6.781 194 HA GLU 29 HA GLU 29 8.772 3.580 -7.977 195 1HB GLU 29 HB2 GLU 29 6.969 3.344 -9.609 196 2HB GLU 29 HB1 GLU 29 7.795 1.775 -9.327 197 1HG GLU 29 HG2 GLU 29 5.891 1.057 -7.874 198 2HG GLU 29 HG1 GLU 29 5.078 2.645 -8.119 199 H LYS 30 HN LYS 30 6.535 3.128 -5.394 200 HA LYS 30 HA LYS 30 5.191 5.689 -5.874 201 1HB LYS 30 HB2 LYS 30 4.778 3.435 -3.838 202 2HB LYS 30 HB1 LYS 30 3.900 4.996 -3.729 203 1HG LYS 30 HG2 LYS 30 3.796 3.178 -6.212 204 2HG LYS 30 HG1 LYS 30 2.652 3.051 -4.845 205 1HD LYS 30 HD2 LYS 30 1.999 5.466 -5.174 206 2HD LYS 30 HD1 LYS 30 3.020 5.525 -6.651 207 1HE LYS 30 HE2 LYS 30 0.612 3.626 -6.186 208 2HE LYS 30 HE1 LYS 30 0.589 5.125 -7.197 209 1HZ LYS 30 HZ1 LYS 30 0.883 3.021 -8.420 210 2HZ LYS 30 HZ2 LYS 30 2.398 2.820 -7.682 211 3HZ LYS 30 HZ3 LYS 30 2.113 4.160 -8.686 212 H GLY 31 HN GLY 31 8.052 4.564 -4.494 213 1HA GLY 31 HA2 GLY 31 9.561 6.073 -3.829 214 2HA GLY 31 HA1 GLY 31 8.280 7.135 -3.138 215 H GLY 32 HN GLY 32 7.885 3.756 -2.329 216 1HA GLY 32 HA2 GLY 32 8.710 4.378 0.391 217 2HA GLY 32 HA1 GLY 32 7.896 2.903 -0.266 218 H THR 33 HN THR 33 10.728 3.789 1.246 219 HA THR 33 HA THR 33 12.510 2.539 -0.674 220 HB THR 33 HB THR 33 14.204 3.427 1.123 221 HG1 THR 33 HG1 THR 33 13.309 5.092 2.337 222 1HG2 THR 33 HG21 THR 33 12.369 5.297 -0.549 223 2HG2 THR 33 HG22 THR 33 13.831 4.423 -1.142 224 3HG2 THR 33 HG23 THR 33 14.003 5.727 0.085 225 H SER 34 HN SER 34 10.437 1.269 1.590 226 HA SER 34 HA SER 34 11.878 -1.093 1.448 227 1HB SER 34 HB2 SER 34 11.419 0.159 4.260 228 2HB SER 34 HB1 SER 34 11.757 -1.595 3.986 229 HG SER 34 HG SER 34 13.499 0.255 2.815 230 H GLY 35 HN GLY 35 10.108 -2.831 2.136 231 1HA GLY 35 HA2 GLY 35 7.636 -1.898 2.899 232 2HA GLY 35 HA1 GLY 35 7.776 -2.178 1.087 233 H HIS 36 HN HIS 36 6.265 -4.114 2.550 234 HA HIS 36 HA HIS 36 7.658 -6.433 2.039 235 1HB HIS 36 HB2 HIS 36 7.295 -7.374 4.450 236 2HB HIS 36 HB1 HIS 36 8.738 -6.336 4.262 237 HD1 HIS 36 HD1 HIS 36 8.764 -4.083 5.490 238 HD2 HIS 36 HD2 HIS 36 5.162 -6.174 6.028 239 HE1 HIS 36 HE1 HIS 36 7.483 -2.923 7.348 240 HE2 HIS 36 HE2 HIS 36 5.325 -4.211 7.636 241 H CYS 37 HN CYS 37 5.704 -8.120 2.856 242 HA CYS 37 HA CYS 37 3.256 -6.635 2.208 243 1HB CYS 37 HB2 CYS 37 3.749 -9.656 2.434 244 2HB CYS 37 HB1 CYS 37 2.219 -8.873 1.911 245 H GLY 38 HN GLY 38 1.211 -7.239 3.544 246 1HA GLY 38 HA2 GLY 38 1.587 -8.409 6.025 247 2HA GLY 38 HA1 GLY 38 1.465 -6.580 6.087 248 H PHE 39 HN PHE 39 -0.803 -7.817 7.062 249 HA PHE 39 HA PHE 39 -2.687 -7.900 4.823 250 1HB PHE 39 HB2 PHE 39 -2.184 -10.124 6.202 251 2HB PHE 39 HB1 PHE 39 -2.955 -9.291 7.589 252 HD1 PHE 39 HD1 PHE 39 -3.477 -10.605 4.115 253 HD2 PHE 39 HD2 PHE 39 -5.335 -9.183 7.703 254 HE1 PHE 39 HE1 PHE 39 -5.655 -11.448 3.315 255 HE2 PHE 39 HE2 PHE 39 -7.520 -10.048 6.919 256 HZ PHE 39 HZ PHE 39 -7.685 -11.185 4.717 257 H LYS 40 HN LYS 40 -4.418 -6.407 5.173 258 HA LYS 40 HA LYS 40 -3.943 -4.564 7.387 259 1HB LYS 40 HB2 LYS 40 -3.953 -3.535 5.141 260 2HB LYS 40 HB1 LYS 40 -5.500 -4.365 4.745 261 1HG LYS 40 HG2 LYS 40 -5.801 -1.955 5.086 262 2HG LYS 40 HG1 LYS 40 -6.755 -2.920 6.255 263 1HD LYS 40 HD2 LYS 40 -5.098 -2.421 8.054 264 2HD LYS 40 HD1 LYS 40 -4.059 -1.555 6.876 265 1HE LYS 40 HE2 LYS 40 -5.379 0.035 8.292 266 2HE LYS 40 HE1 LYS 40 -5.814 0.185 6.544 267 1HZ LYS 40 HZ1 LYS 40 -7.726 0.200 7.988 268 2HZ LYS 40 HZ2 LYS 40 -7.351 -1.348 8.574 269 3HZ LYS 40 HZ3 LYS 40 -7.756 -1.133 6.940 270 H VAL 41 HN VAL 41 -5.993 -6.835 6.219 271 HA VAL 41 HA VAL 41 -7.953 -7.745 6.647 272 HB VAL 41 HB VAL 41 -8.243 -6.070 9.144 273 1HG1 VAL 41 HG11 VAL 41 -9.478 -8.211 9.952 274 2HG1 VAL 41 HG12 VAL 41 -9.357 -8.852 8.282 275 3HG1 VAL 41 HG13 VAL 41 -10.338 -7.371 8.633 276 1HG2 VAL 41 HG21 VAL 41 -6.005 -7.279 9.229 277 2HG2 VAL 41 HG22 VAL 41 -6.901 -8.838 9.015 278 3HG2 VAL 41 HG23 VAL 41 -7.170 -7.825 10.467 279 H GLY 42 HN GLY 42 -10.488 -6.828 6.917 280 1HA GLY 42 HA2 GLY 42 -12.029 -5.307 6.474 281 2HA GLY 42 HA1 GLY 42 -10.746 -4.041 6.353 282 H HIS 43 HN HIS 43 -9.253 -4.502 4.439 283 HA HIS 43 HA HIS 43 -10.876 -4.860 1.997 284 1HB HIS 43 HB2 HIS 43 -7.997 -3.840 2.359 285 2HB HIS 43 HB1 HIS 43 -8.862 -3.996 0.791 286 HD1 HIS 43 HD1 HIS 43 -8.982 -1.628 0.119 287 HD2 HIS 43 HD2 HIS 43 -10.024 -2.046 4.156 288 HE1 HIS 43 HE1 HIS 43 -9.628 0.669 0.959 289 HE2 HIS 43 HE2 HIS 43 -10.151 0.397 3.421 290 H GLY 44 HN GLY 44 -7.665 -5.833 3.563 291 1HA GLY 44 HA2 GLY 44 -7.873 -8.288 3.916 292 2HA GLY 44 HA1 GLY 44 -7.893 -8.355 2.107 293 H LEU 45 HN LEU 45 -6.028 -8.902 1.353 294 HA LEU 45 HA LEU 45 -3.551 -8.752 2.676 295 1HB LEU 45 HB2 LEU 45 -4.300 -10.583 1.097 296 2HB LEU 45 HB1 LEU 45 -4.512 -9.356 -0.189 297 HG LEU 45 HG LEU 45 -1.999 -8.988 -0.188 298 1HD1 LEU 45 HD11 LEU 45 -1.371 -9.961 2.049 299 2HD1 LEU 45 HD12 LEU 45 -0.543 -10.814 0.697 300 3HD1 LEU 45 HD13 LEU 45 -1.945 -11.586 1.494 301 1HD2 LEU 45 HD21 LEU 45 -3.180 -10.321 -1.906 302 2HD2 LEU 45 HD22 LEU 45 -3.134 -11.783 -0.856 303 3HD2 LEU 45 HD23 LEU 45 -1.606 -11.108 -1.505 304 H ALA 46 HN ALA 46 -1.915 -7.051 2.445 305 HA ALA 46 HA ALA 46 -2.771 -4.868 0.704 306 1HB ALA 46 HB1 ALA 46 -3.574 -4.380 3.000 307 2HB ALA 46 HB2 ALA 46 -2.238 -3.263 2.547 308 3HB ALA 46 HB3 ALA 46 -1.919 -4.679 3.642 309 H CYS 47 HN CYS 47 -0.638 -3.125 0.853 310 HA CYS 47 HA CYS 47 1.729 -4.925 0.852 311 1HB CYS 47 HB2 CYS 47 1.243 -4.338 -1.494 312 2HB CYS 47 HB1 CYS 47 0.995 -2.634 -1.039 313 H TRP 48 HN TRP 48 3.662 -3.522 1.803 314 HA TRP 48 HA TRP 48 2.553 -1.311 3.396 315 1HB TRP 48 HB2 TRP 48 2.873 -3.240 4.951 316 2HB TRP 48 HB1 TRP 48 4.518 -3.499 4.288 317 HD1 TRP 48 HD1 TRP 48 6.429 -1.628 4.945 318 HE1 TRP 48 HE1 TRP 48 6.663 -0.058 6.934 319 HE3 TRP 48 HE3 TRP 48 1.654 -1.963 6.640 320 HZ2 TRP 48 HZ2 TRP 48 5.010 0.757 9.161 321 HZ3 TRP 48 HZ3 TRP 48 1.009 -0.734 8.694 322 HH2 TRP 48 HH2 TRP 48 2.667 0.600 9.940 323 H CYS 49 HN CYS 49 4.083 0.438 3.693 324 HA CYS 49 HA CYS 49 6.599 0.153 2.285 325 1HB CYS 49 HB2 CYS 49 4.563 2.420 1.865 326 2HB CYS 49 HB1 CYS 49 6.307 2.581 1.455 327 H ASN 50 HN ASN 50 8.153 1.612 3.143 328 HA ASN 50 HA ASN 50 7.297 3.158 5.503 329 1HB ASN 50 HB2 ASN 50 9.819 1.507 4.960 330 2HB ASN 50 HB1 ASN 50 10.051 3.097 5.744 331 1HD2 ASN 50 HD22 ASN 50 10.222 2.947 7.927 332 2HD2 ASN 50 HD21 ASN 50 9.394 1.799 8.931 333 H ALA 51 HN ALA 51 7.705 5.317 5.257 334 HA ALA 51 HA ALA 51 8.649 7.147 4.767 335 1HB ALA 51 HB1 ALA 51 10.676 5.743 2.968 336 2HB ALA 51 HB2 ALA 51 10.902 6.074 4.728 337 3HB ALA 51 HB3 ALA 51 10.764 7.441 3.558 338 H LEU 52 HN LEU 52 6.338 6.757 3.630 339 HA LEU 52 HA LEU 52 6.650 7.250 0.750 340 1HB LEU 52 HB2 LEU 52 4.173 6.868 2.514 341 2HB LEU 52 HB1 LEU 52 4.068 7.449 0.818 342 HG LEU 52 HG LEU 52 5.337 4.785 1.651 343 1HD1 LEU 52 HD11 LEU 52 3.241 3.736 0.722 344 2HD1 LEU 52 HD12 LEU 52 2.517 5.374 0.533 345 3HD1 LEU 52 HD13 LEU 52 2.924 4.749 2.179 346 1HD2 LEU 52 HD21 LEU 52 6.224 5.619 -0.521 347 2HD2 LEU 52 HD22 LEU 52 4.562 5.907 -1.131 348 3HD2 LEU 52 HD23 LEU 52 5.130 4.235 -0.812 349 HA PRO 53 HA PRO 53 6.295 11.512 2.145 350 1HB PRO 53 HB2 PRO 53 6.165 12.847 -0.321 351 2HB PRO 53 HB1 PRO 53 7.681 12.166 0.377 352 1HG PRO 53 HG1 PRO 53 5.841 10.911 -1.717 353 2HG PRO 53 HG2 PRO 53 7.644 11.019 -1.724 354 1HD PRO 53 HD1 PRO 53 6.246 8.746 -0.885 355 2HD PRO 53 HD2 PRO 53 7.831 9.215 -0.148 356 H ASP 54 HN ASP 54 4.782 13.446 1.698 357 HA ASP 54 HA ASP 54 2.196 12.465 2.217 358 1HB ASP 54 HB2 ASP 54 3.195 15.347 1.823 359 2HB ASP 54 HB1 ASP 54 1.601 14.878 2.530 360 H ASN 55 HN ASN 55 3.540 12.871 -0.825 361 HA ASN 55 HA ASN 55 1.047 13.894 -1.997 362 1HB ASN 55 HB2 ASN 55 2.210 13.854 -4.176 363 2HB ASN 55 HB1 ASN 55 3.086 14.858 -2.978 364 1HD2 ASN 55 HD22 ASN 55 3.369 12.120 -5.137 365 2HD2 ASN 55 HD21 ASN 55 4.972 11.632 -4.666 366 H VAL 56 HN VAL 56 1.943 11.093 -0.650 367 HA VAL 56 HA VAL 56 0.707 9.437 -2.729 368 HB VAL 56 HB VAL 56 2.251 8.319 -0.340 369 1HG1 VAL 56 HG11 VAL 56 0.881 6.743 -1.753 370 2HG1 VAL 56 HG12 VAL 56 2.630 6.433 -1.979 371 3HG1 VAL 56 HG13 VAL 56 1.716 7.335 -3.238 372 1HG2 VAL 56 HG21 VAL 56 4.315 8.257 -1.786 373 2HG2 VAL 56 HG22 VAL 56 3.866 9.912 -1.301 374 3HG2 VAL 56 HG23 VAL 56 3.506 9.356 -2.969 375 H GLY 57 HN GLY 57 -0.796 7.646 -1.307 376 1HA GLY 57 HA2 GLY 57 -1.841 8.790 1.039 377 2HA GLY 57 HA1 GLY 57 -2.920 8.809 -0.454 378 H ILE 58 HN ILE 58 -3.618 6.838 1.592 379 HA ILE 58 HA ILE 58 -2.653 4.346 0.624 380 HB ILE 58 HB ILE 58 -1.740 3.751 2.923 381 1HG1 ILE 58 HG12 ILE 58 -1.644 6.791 3.404 382 2HG1 ILE 58 HG11 ILE 58 -2.794 5.658 4.189 383 1HG2 ILE 58 HG21 ILE 58 0.502 4.454 2.480 384 2HG2 ILE 58 HG22 ILE 58 -0.032 5.958 1.647 385 3HG2 ILE 58 HG23 ILE 58 -0.306 4.360 0.875 386 1HD1 ILE 58 HD11 ILE 58 0.286 5.564 4.442 387 2HD1 ILE 58 HD12 ILE 58 -0.869 4.358 5.135 388 3HD1 ILE 58 HD13 ILE 58 -0.901 6.063 5.707 389 H ILE 59 HN ILE 59 -3.464 3.012 3.111 390 HA ILE 59 HA ILE 59 -6.030 2.771 2.196 391 HB ILE 59 HB ILE 59 -5.486 1.720 4.971 392 1HG1 ILE 59 HG12 ILE 59 -3.323 1.317 4.035 393 2HG1 ILE 59 HG11 ILE 59 -4.268 -0.191 4.204 394 1HG2 ILE 59 HG21 ILE 59 -6.801 0.574 2.408 395 2HG2 ILE 59 HG22 ILE 59 -7.642 1.243 3.845 396 3HG2 ILE 59 HG23 ILE 59 -6.684 -0.262 4.000 397 1HD1 ILE 59 HD11 ILE 59 -3.539 1.276 1.623 398 2HD1 ILE 59 HD12 ILE 59 -4.825 0.017 1.665 399 3HD1 ILE 59 HD13 ILE 59 -3.121 -0.392 2.105 400 H VAL 60 HN VAL 60 -7.789 3.844 2.563 401 HA VAL 60 HA VAL 60 -8.286 5.127 5.177 402 HB VAL 60 HB VAL 60 -9.118 5.639 2.289 403 1HG1 VAL 60 HG11 VAL 60 -11.284 5.456 3.345 404 2HG1 VAL 60 HG12 VAL 60 -10.918 7.183 3.038 405 3HG1 VAL 60 HG13 VAL 60 -10.779 6.524 4.717 406 1HG2 VAL 60 HG21 VAL 60 -7.170 6.843 3.219 407 2HG2 VAL 60 HG22 VAL 60 -8.160 7.453 4.597 408 3HG2 VAL 60 HG23 VAL 60 -8.526 7.986 2.913 409 H GLU 61 HN GLU 61 -10.634 4.487 6.030 410 HA GLU 61 HA GLU 61 -11.888 2.397 4.742 411 1HB GLU 61 HB2 GLU 61 -9.973 1.117 5.904 412 2HB GLU 61 HB1 GLU 61 -10.625 1.703 7.480 413 1HG GLU 61 HG2 GLU 61 -12.792 0.464 6.962 414 2HG GLU 61 HG1 GLU 61 -12.103 -0.043 5.370 415 H GLY 62 HN GLY 62 -13.800 2.055 6.606 416 1HA GLY 62 HA2 GLY 62 -15.525 3.312 7.400 417 2HA GLY 62 HA1 GLY 62 -14.469 4.794 7.396 418 H GLU 63 HN GLU 63 -14.481 2.407 4.795 419 HA GLU 63 HA GLU 63 -15.988 3.410 2.844 420 1HB GLU 63 HB2 GLU 63 -14.292 5.451 3.192 421 2HB GLU 63 HB1 GLU 63 -13.016 4.311 2.666 422 1HG GLU 63 HG2 GLU 63 -14.209 4.101 0.422 423 2HG GLU 63 HG1 GLU 63 -15.510 5.193 1.035 424 H LYS 64 HN LYS 64 -13.751 2.372 0.948 425 HA LYS 64 HA LYS 64 -12.416 0.343 2.153 426 1HB LYS 64 HB2 LYS 64 -14.877 -0.658 2.226 427 2HB LYS 64 HB1 LYS 64 -14.705 -0.822 0.460 428 1HG LYS 64 HG2 LYS 64 -12.581 -2.245 0.930 429 2HG LYS 64 HG1 LYS 64 -12.901 -2.049 2.676 430 1HD LYS 64 HD2 LYS 64 -14.829 -3.378 0.649 431 2HD LYS 64 HD1 LYS 64 -13.639 -4.261 1.662 432 1HE LYS 64 HE2 LYS 64 -16.002 -2.592 2.769 433 2HE LYS 64 HE1 LYS 64 -15.915 -4.395 2.646 434 1HZ LYS 64 HZ1 LYS 64 -14.150 -2.631 4.255 435 2HZ LYS 64 HZ2 LYS 64 -13.950 -4.307 4.074 436 3HZ LYS 64 HZ3 LYS 64 -15.350 -3.696 4.826 437 H CYS 65 HN CYS 65 -12.718 -1.118 -0.500 438 HA CYS 65 HA CYS 65 -10.967 0.636 -1.963 439 1HB CYS 65 HB2 CYS 65 -10.406 -1.784 -1.681 440 2HB CYS 65 HB1 CYS 65 -11.960 -2.236 -2.416 441 H HIS 66 HN HIS 66 -11.471 1.587 -4.062 442 HA HIS 66 HA HIS 66 -13.755 0.714 -5.439 443 1HB HIS 66 HB2 HIS 66 -14.668 3.157 -5.649 444 2HB HIS 66 HB1 HIS 66 -15.079 2.273 -4.143 445 HD1 HIS 66 HD1 HIS 66 -13.200 5.273 -5.300 446 HD2 HIS 66 HD2 HIS 66 -13.719 3.080 -1.760 447 HE1 HIS 66 HE1 HIS 66 -12.310 6.688 -3.401 448 HE2 HIS 66 HE2 HIS 66 -12.637 5.330 -1.288 449 H SER 67 HN SER 67 -13.501 1.757 -7.621 450 HA SER 67 HA SER 67 -11.854 1.160 -9.092 451 1HB SER 67 HB2 SER 67 -12.200 4.186 -8.992 452 2HB SER 67 HB1 SER 67 -11.851 3.183 -10.452 453 HG SER 67 HG SER 67 -14.067 3.659 -10.202 454 1HN NH2 68 H1 NH2 68 -8.552 1.565 -7.562 455 2HN NH2 68 H2 NH2 68 -9.930 0.500 -7.565 Start of MODEL 39 1 1H VAL 1 HT1 VAL 1 7.603 12.560 4.620 2 2H VAL 1 HT2 VAL 1 7.546 11.980 6.216 3 3H VAL 1 HT3 VAL 1 6.235 12.858 5.593 4 HA VAL 1 HA VAL 1 5.939 11.116 3.927 5 HB VAL 1 HB VAL 1 6.898 8.833 4.498 6 1HG1 VAL 1 HG11 VAL 1 9.180 9.229 3.675 7 2HG1 VAL 1 HG12 VAL 1 9.047 10.993 3.998 8 3HG1 VAL 1 HG13 VAL 1 7.978 10.218 2.756 9 1HG2 VAL 1 HG21 VAL 1 8.612 10.351 6.572 10 2HG2 VAL 1 HG22 VAL 1 8.786 8.626 6.084 11 3HG2 VAL 1 HG23 VAL 1 7.305 9.174 6.944 12 H ARG 2 HN ARG 2 4.664 8.977 4.542 13 HA ARG 2 HA ARG 2 3.880 8.983 7.350 14 1HB ARG 2 HB2 ARG 2 1.698 8.058 6.919 15 2HB ARG 2 HB1 ARG 2 1.774 9.662 6.153 16 1HG ARG 2 HG2 ARG 2 2.155 7.024 4.566 17 2HG ARG 2 HG1 ARG 2 0.567 7.727 4.974 18 1HD ARG 2 HD2 ARG 2 2.117 9.880 3.757 19 2HD ARG 2 HD1 ARG 2 2.382 8.412 2.760 20 HE ARG 2 HE ARG 2 0.082 8.417 2.120 21 1HH1 ARG 2 HH11 ARG 2 0.651 10.842 4.700 22 2HH1 ARG 2 HH12 ARG 2 -0.948 11.499 4.594 23 1HH2 ARG 2 HH21 ARG 2 -2.052 9.277 2.058 24 2HH2 ARG 2 HH22 ARG 2 -2.516 10.569 3.113 25 H ASP 3 HN ASP 3 3.028 6.345 7.531 26 HA ASP 3 HA ASP 3 4.711 4.772 5.782 27 1HB ASP 3 HB2 ASP 3 4.355 4.167 8.810 28 2HB ASP 3 HB1 ASP 3 5.279 3.210 7.594 29 H GLY 4 HN GLY 4 3.162 2.828 5.365 30 1HA GLY 4 HA2 GLY 4 0.941 2.695 7.061 31 2HA GLY 4 HA1 GLY 4 0.553 3.449 5.441 32 H TYR 5 HN TYR 5 -0.646 1.111 5.721 33 HA TYR 5 HA TYR 5 0.947 -0.817 4.235 34 1HB TYR 5 HB2 TYR 5 -2.026 -0.591 4.939 35 2HB TYR 5 HB1 TYR 5 -1.494 -1.658 3.589 36 HD1 TYR 5 HD1 TYR 5 -1.324 -1.068 7.265 37 HD2 TYR 5 HD2 TYR 5 -0.489 -3.775 4.026 38 HE1 TYR 5 HE1 TYR 5 -1.126 -2.931 8.873 39 HE2 TYR 5 HE2 TYR 5 -0.338 -5.641 5.618 40 HH TYR 5 HH TYR 5 -1.230 -6.216 7.799 41 H ILE 6 HN ILE 6 0.798 -0.794 1.868 42 HA ILE 6 HA ILE 6 -0.183 1.790 0.890 43 HB ILE 6 HB ILE 6 2.145 1.449 0.421 44 1HG1 ILE 6 HG12 ILE 6 0.316 1.542 -2.057 45 2HG1 ILE 6 HG11 ILE 6 0.713 2.918 -0.976 46 1HG2 ILE 6 HG21 ILE 6 2.884 -0.232 -1.250 47 2HG2 ILE 6 HG22 ILE 6 1.211 -0.864 -1.385 48 3HG2 ILE 6 HG23 ILE 6 2.125 -1.025 0.166 49 1HD1 ILE 6 HD11 ILE 6 2.521 1.427 -2.961 50 2HD1 ILE 6 HD12 ILE 6 3.229 2.400 -1.622 51 3HD1 ILE 6 HD13 ILE 6 2.166 3.193 -2.847 52 H ALA 7 HN ALA 7 -1.716 1.924 -0.564 53 HA ALA 7 HA ALA 7 -3.252 -0.453 -1.273 54 1HB ALA 7 HB1 ALA 7 -4.156 2.525 -1.221 55 2HB ALA 7 HB2 ALA 7 -4.526 1.350 0.084 56 3HB ALA 7 HB3 ALA 7 -5.216 1.093 -1.526 57 H GLN 8 HN GLN 8 -4.776 1.332 -3.165 58 HA GLN 8 HA GLN 8 -2.827 1.929 -5.185 59 1HB GLN 8 HB2 GLN 8 -5.595 0.581 -5.520 60 2HB GLN 8 HB1 GLN 8 -4.637 1.248 -6.893 61 1HG GLN 8 HG2 GLN 8 -2.858 -0.440 -6.570 62 2HG GLN 8 HG1 GLN 8 -3.615 -1.027 -5.064 63 1HE2 GLN 8 HE21 GLN 8 -6.362 -0.549 -6.776 64 2HE2 GLN 8 HE22 GLN 8 -6.501 -2.118 -7.514 65 HA PRO 9 HA PRO 9 -5.231 5.377 -3.856 66 1HB PRO 9 HB2 PRO 9 -5.171 6.352 -6.786 67 2HB PRO 9 HB1 PRO 9 -4.786 7.326 -5.305 68 1HG PRO 9 HG1 PRO 9 -2.752 6.356 -6.820 69 2HG PRO 9 HG2 PRO 9 -2.673 6.138 -5.020 70 1HD PRO 9 HD1 PRO 9 -3.553 4.054 -7.100 71 2HD PRO 9 HD2 PRO 9 -2.440 3.889 -5.662 72 H GLU 10 HN GLU 10 -8.727 5.178 -4.766 73 HA GLU 10 HA GLU 10 -6.898 7.170 -3.736 74 1HB GLU 10 HB2 GLU 10 -9.857 6.518 -3.251 75 2HB GLU 10 HB1 GLU 10 -9.023 7.957 -2.574 76 1HG GLU 10 HG2 GLU 10 -9.577 7.329 -5.550 77 2HG GLU 10 HG1 GLU 10 -10.369 8.589 -4.537 78 H ASN 11 HN ASN 11 -8.758 4.251 -2.646 79 HA ASN 11 HA ASN 11 -7.103 3.802 -0.459 80 1HB ASN 11 HB2 ASN 11 -8.828 5.218 0.772 81 2HB ASN 11 HB1 ASN 11 -10.152 4.439 -0.184 82 1HD2 ASN 11 HD22 ASN 11 -11.282 3.528 1.652 83 2HD2 ASN 11 HD21 ASN 11 -10.489 2.545 2.878 84 H CYS 12 HN CYS 12 -7.314 1.485 -0.533 85 HA CYS 12 HA CYS 12 -9.227 -0.093 -1.520 86 1HB CYS 12 HB2 CYS 12 -7.023 0.479 -3.612 87 2HB CYS 12 HB1 CYS 12 -7.952 -1.058 -3.573 88 H VAL 13 HN VAL 13 -6.873 -1.908 -2.382 89 HA VAL 13 HA VAL 13 -4.901 -1.432 -0.419 90 HB VAL 13 HB VAL 13 -4.765 -4.087 -0.167 91 1HG1 VAL 13 HG11 VAL 13 -6.605 -2.286 1.513 92 2HG1 VAL 13 HG12 VAL 13 -4.828 -2.521 1.698 93 3HG1 VAL 13 HG13 VAL 13 -5.923 -3.895 2.019 94 1HG2 VAL 13 HG21 VAL 13 -6.935 -5.200 0.003 95 2HG2 VAL 13 HG22 VAL 13 -6.723 -4.554 -1.657 96 3HG2 VAL 13 HG23 VAL 13 -7.813 -3.707 -0.496 97 H TYR 14 HN TYR 14 -3.236 -3.310 -1.313 98 HA TYR 14 HA TYR 14 -3.418 -3.290 -4.223 99 1HB TYR 14 HB2 TYR 14 -1.206 -3.010 -2.304 100 2HB TYR 14 HB1 TYR 14 -0.913 -4.533 -3.170 101 HD1 TYR 14 HD1 TYR 14 -1.502 -4.354 -5.845 102 HD2 TYR 14 HD2 TYR 14 -0.282 -1.114 -3.304 103 HE1 TYR 14 HE1 TYR 14 -0.880 -3.062 -7.817 104 HE2 TYR 14 HE2 TYR 14 0.346 0.206 -5.275 105 HH TYR 14 HH TYR 14 -0.148 -1.054 -8.603 106 H HIS 15 HN HIS 15 -1.813 -5.933 -4.249 107 HA HIS 15 HA HIS 15 -2.951 -7.489 -2.276 108 1HB HIS 15 HB2 HIS 15 -3.250 -8.376 -5.241 109 2HB HIS 15 HB1 HIS 15 -3.205 -9.501 -3.836 110 HD1 HIS 15 HD1 HIS 15 -5.474 -6.984 -5.489 111 HD2 HIS 15 HD2 HIS 15 -5.443 -9.408 -2.070 112 HE1 HIS 15 HE1 HIS 15 -7.821 -6.961 -4.538 113 HE2 HIS 15 HE2 HIS 15 -7.761 -8.446 -2.476 114 H CYS 16 HN CYS 16 -1.123 -9.413 -2.422 115 HA CYS 16 HA CYS 16 1.131 -8.798 -3.864 116 1HB CYS 16 HB2 CYS 16 1.308 -6.919 -2.100 117 2HB CYS 16 HB1 CYS 16 1.184 -8.167 -0.835 118 H PHE 17 HN PHE 17 2.557 -10.353 -1.497 119 HA PHE 17 HA PHE 17 1.059 -12.780 -1.671 120 1HB PHE 17 HB2 PHE 17 3.913 -12.153 -2.814 121 2HB PHE 17 HB1 PHE 17 3.139 -13.771 -2.811 122 HD1 PHE 17 HD1 PHE 17 0.825 -13.929 -4.120 123 HD2 PHE 17 HD2 PHE 17 3.497 -10.593 -4.584 124 HE1 PHE 17 HE1 PHE 17 -0.158 -13.442 -6.324 125 HE2 PHE 17 HE2 PHE 17 2.517 -10.118 -6.787 126 HZ PHE 17 HZ PHE 17 0.704 -11.559 -7.683 127 HA PRO 18 HA PRO 18 3.679 -12.602 2.055 128 1HB PRO 18 HB2 PRO 18 4.682 -15.181 2.464 129 2HB PRO 18 HB1 PRO 18 2.964 -14.711 2.738 130 1HG PRO 18 HG1 PRO 18 4.150 -16.020 0.239 131 2HG PRO 18 HG2 PRO 18 2.685 -16.524 1.185 132 1HD PRO 18 HD1 PRO 18 2.436 -14.943 -1.090 133 2HD PRO 18 HD2 PRO 18 1.400 -14.649 0.368 134 H GLY 19 HN GLY 19 4.974 -11.297 0.115 135 1HA GLY 19 HA2 GLY 19 7.525 -11.219 0.960 136 2HA GLY 19 HA1 GLY 19 7.499 -12.291 -0.534 137 H SER 20 HN SER 20 8.448 -9.328 -0.214 138 HA SER 20 HA SER 20 6.450 -7.903 -1.707 139 1HB SER 20 HB2 SER 20 9.379 -7.118 -1.091 140 2HB SER 20 HB1 SER 20 8.076 -6.028 -1.704 141 HG SER 20 HG SER 20 8.502 -5.912 0.568 142 H SER 21 HN SER 21 6.721 -9.963 -3.387 143 HA SER 21 HA SER 21 9.105 -10.034 -4.867 144 1HB SER 21 HB2 SER 21 7.426 -11.320 -6.536 145 2HB SER 21 HB1 SER 21 7.900 -12.045 -4.957 146 HG SER 21 HG SER 21 5.638 -12.064 -5.308 147 H GLY 22 HN GLY 22 5.814 -9.085 -5.928 148 1HA GLY 22 HA2 GLY 22 6.952 -7.420 -8.014 149 2HA GLY 22 HA1 GLY 22 5.207 -7.662 -7.591 150 H CYS 23 HN CYS 23 5.988 -7.054 -4.651 151 HA CYS 23 HA CYS 23 5.332 -4.305 -5.078 152 1HB CYS 23 HB2 CYS 23 4.257 -5.725 -3.243 153 2HB CYS 23 HB1 CYS 23 5.750 -5.423 -2.291 154 H ASP 24 HN ASP 24 8.390 -5.967 -4.746 155 HA ASP 24 HA ASP 24 9.802 -4.001 -3.376 156 1HB ASP 24 HB2 ASP 24 10.735 -6.258 -4.016 157 2HB ASP 24 HB1 ASP 24 10.833 -5.728 -5.726 158 H THR 25 HN THR 25 9.083 -4.348 -6.948 159 HA THR 25 HA THR 25 10.394 -1.910 -7.482 160 HB THR 25 HB THR 25 9.468 -2.208 -9.770 161 HG1 THR 25 HG1 THR 25 7.719 -3.436 -9.696 162 1HG2 THR 25 HG21 THR 25 10.951 -4.174 -10.184 163 2HG2 THR 25 HG22 THR 25 10.810 -4.706 -8.472 164 3HG2 THR 25 HG23 THR 25 11.673 -3.181 -8.870 165 H LEU 26 HN LEU 26 6.936 -2.850 -6.951 166 HA LEU 26 HA LEU 26 5.820 -0.403 -7.683 167 1HB LEU 26 HB2 LEU 26 4.890 -2.357 -5.505 168 2HB LEU 26 HB1 LEU 26 3.942 -0.972 -6.077 169 HG LEU 26 HG LEU 26 4.851 -3.254 -7.914 170 1HD1 LEU 26 HD11 LEU 26 2.178 -2.776 -6.460 171 2HD1 LEU 26 HD12 LEU 26 3.295 -4.161 -6.265 172 3HD1 LEU 26 HD13 LEU 26 2.416 -3.940 -7.816 173 1HD2 LEU 26 HD21 LEU 26 3.132 -2.248 -9.477 174 2HD2 LEU 26 HD22 LEU 26 4.482 -1.119 -9.146 175 3HD2 LEU 26 HD23 LEU 26 2.903 -0.882 -8.316 176 H CYS 27 HN CYS 27 7.059 -1.513 -4.488 177 HA CYS 27 HA CYS 27 6.231 0.775 -3.165 178 1HB CYS 27 HB2 CYS 27 6.938 -1.408 -2.091 179 2HB CYS 27 HB1 CYS 27 8.648 -0.976 -2.378 180 H LYS 28 HN LYS 28 9.344 0.051 -4.909 181 HA LYS 28 HA LYS 28 10.460 2.512 -4.034 182 1HB LYS 28 HB2 LYS 28 11.327 0.758 -6.377 183 2HB LYS 28 HB1 LYS 28 12.215 2.180 -5.725 184 1HG LYS 28 HG2 LYS 28 12.129 1.001 -3.405 185 2HG LYS 28 HG1 LYS 28 11.553 -0.447 -4.261 186 1HD LYS 28 HD2 LYS 28 13.847 -0.808 -3.976 187 2HD LYS 28 HD1 LYS 28 13.674 -0.377 -5.701 188 1HE LYS 28 HE2 LYS 28 15.682 0.696 -4.612 189 2HE LYS 28 HE1 LYS 28 14.527 1.958 -5.201 190 1HZ LYS 28 HZ1 LYS 28 15.439 2.280 -2.931 191 2HZ LYS 28 HZ2 LYS 28 14.564 0.926 -2.414 192 3HZ LYS 28 HZ3 LYS 28 13.744 2.281 -3.016 193 H GLU 29 HN GLU 29 8.694 1.578 -7.099 194 HA GLU 29 HA GLU 29 9.222 4.129 -8.212 195 1HB GLU 29 HB2 GLU 29 7.599 3.714 -9.950 196 2HB GLU 29 HB1 GLU 29 8.679 2.311 -9.730 197 1HG GLU 29 HG2 GLU 29 6.865 1.116 -8.485 198 2HG GLU 29 HG1 GLU 29 5.769 2.530 -8.668 199 H LYS 30 HN LYS 30 6.600 3.037 -6.020 200 HA LYS 30 HA LYS 30 5.256 5.589 -6.413 201 1HB LYS 30 HB2 LYS 30 4.605 3.286 -4.505 202 2HB LYS 30 HB1 LYS 30 3.734 4.855 -4.566 203 1HG LYS 30 HG2 LYS 30 3.396 4.464 -7.085 204 2HG LYS 30 HG1 LYS 30 3.850 2.752 -6.807 205 1HD LYS 30 HD2 LYS 30 1.871 2.450 -5.333 206 2HD LYS 30 HD1 LYS 30 1.625 4.224 -5.237 207 1HE LYS 30 HE2 LYS 30 -0.075 3.221 -6.742 208 2HE LYS 30 HE1 LYS 30 1.017 4.342 -7.646 209 1HZ LYS 30 HZ1 LYS 30 1.149 1.373 -7.611 210 2HZ LYS 30 HZ2 LYS 30 2.264 2.395 -8.385 211 3HZ LYS 30 HZ3 LYS 30 0.644 2.369 -8.883 212 H GLY 31 HN GLY 31 8.029 4.631 -4.737 213 1HA GLY 31 HA2 GLY 31 9.332 6.233 -3.906 214 2HA GLY 31 HA1 GLY 31 7.904 7.287 -3.584 215 H GLY 32 HN GLY 32 8.083 3.883 -2.546 216 1HA GLY 32 HA2 GLY 32 8.398 4.785 0.233 217 2HA GLY 32 HA1 GLY 32 7.697 3.235 -0.391 218 H THR 33 HN THR 33 10.102 3.661 1.490 219 HA THR 33 HA THR 33 12.372 3.514 -0.165 220 HB THR 33 HB THR 33 13.318 3.149 2.294 221 HG1 THR 33 HG1 THR 33 11.839 3.720 3.835 222 1HG2 THR 33 HG21 THR 33 11.749 5.683 1.399 223 2HG2 THR 33 HG22 THR 33 13.438 5.276 0.941 224 3HG2 THR 33 HG23 THR 33 13.046 5.636 2.655 225 H SER 34 HN SER 34 10.548 1.180 1.987 226 HA SER 34 HA SER 34 11.387 -0.972 0.456 227 1HB SER 34 HB2 SER 34 12.466 -0.863 3.372 228 2HB SER 34 HB1 SER 34 12.644 -2.238 2.207 229 HG SER 34 HG SER 34 13.561 -0.100 0.986 230 H GLY 35 HN GLY 35 10.303 -2.985 2.101 231 1HA GLY 35 HA2 GLY 35 8.265 -2.070 3.681 232 2HA GLY 35 HA1 GLY 35 7.758 -2.130 1.922 233 H HIS 36 HN HIS 36 6.373 -3.989 2.846 234 HA HIS 36 HA HIS 36 7.701 -6.511 2.845 235 1HB HIS 36 HB2 HIS 36 5.901 -5.589 5.209 236 2HB HIS 36 HB1 HIS 36 6.642 -7.217 5.013 237 HD1 HIS 36 HD1 HIS 36 9.363 -7.190 5.299 238 HD2 HIS 36 HD2 HIS 36 7.331 -3.774 6.647 239 HE1 HIS 36 HE1 HIS 36 10.934 -5.941 6.844 240 HE2 HIS 36 HE2 HIS 36 9.674 -3.887 7.637 241 H CYS 37 HN CYS 37 5.265 -7.896 3.366 242 HA CYS 37 HA CYS 37 3.126 -6.351 2.315 243 1HB CYS 37 HB2 CYS 37 4.094 -9.029 1.079 244 2HB CYS 37 HB1 CYS 37 2.425 -8.391 0.907 245 H GLY 38 HN GLY 38 1.081 -7.678 3.077 246 1HA GLY 38 HA2 GLY 38 1.343 -9.823 4.715 247 2HA GLY 38 HA1 GLY 38 1.522 -8.270 5.675 248 H PHE 39 HN PHE 39 -0.877 -9.341 6.241 249 HA PHE 39 HA PHE 39 -2.772 -8.757 4.124 250 1HB PHE 39 HB2 PHE 39 -2.688 -10.932 5.669 251 2HB PHE 39 HB1 PHE 39 -3.421 -9.888 6.927 252 HD1 PHE 39 HD1 PHE 39 -3.828 -11.487 3.621 253 HD2 PHE 39 HD2 PHE 39 -5.795 -9.191 6.678 254 HE1 PHE 39 HE1 PHE 39 -6.018 -12.100 2.668 255 HE2 PHE 39 HE2 PHE 39 -7.986 -9.821 5.733 256 HZ PHE 39 HZ PHE 39 -8.112 -11.326 3.757 257 H LYS 40 HN LYS 40 -4.586 -7.241 4.508 258 HA LYS 40 HA LYS 40 -4.276 -5.583 6.922 259 1HB LYS 40 HB2 LYS 40 -3.816 -4.197 4.888 260 2HB LYS 40 HB1 LYS 40 -5.308 -4.843 4.119 261 1HG LYS 40 HG2 LYS 40 -5.891 -2.666 4.864 262 2HG LYS 40 HG1 LYS 40 -6.660 -3.765 6.042 263 1HD LYS 40 HD2 LYS 40 -4.360 -3.327 7.430 264 2HD LYS 40 HD1 LYS 40 -4.253 -1.914 6.338 265 1HE LYS 40 HE2 LYS 40 -5.343 -1.117 8.345 266 2HE LYS 40 HE1 LYS 40 -6.691 -1.306 7.151 267 1HZ LYS 40 HZ1 LYS 40 -5.888 -3.315 9.193 268 2HZ LYS 40 HZ2 LYS 40 -7.219 -3.420 8.151 269 3HZ LYS 40 HZ3 LYS 40 -7.172 -2.218 9.344 270 H VAL 41 HN VAL 41 -5.946 -6.131 8.276 271 HA VAL 41 HA VAL 41 -7.957 -7.871 7.284 272 HB VAL 41 HB VAL 41 -8.002 -6.634 10.061 273 1HG1 VAL 41 HG11 VAL 41 -9.845 -8.183 9.348 274 2HG1 VAL 41 HG12 VAL 41 -8.809 -8.973 10.592 275 3HG1 VAL 41 HG13 VAL 41 -8.629 -9.427 8.858 276 1HG2 VAL 41 HG21 VAL 41 -5.611 -7.174 9.793 277 2HG2 VAL 41 HG22 VAL 41 -6.012 -8.772 9.034 278 3HG2 VAL 41 HG23 VAL 41 -6.382 -8.453 10.766 279 H GLY 42 HN GLY 42 -10.048 -7.243 6.641 280 1HA GLY 42 HA2 GLY 42 -11.893 -5.810 6.895 281 2HA GLY 42 HA1 GLY 42 -10.761 -4.415 7.115 282 H HIS 43 HN HIS 43 -9.002 -5.984 5.025 283 HA HIS 43 HA HIS 43 -10.522 -5.154 2.634 284 1HB HIS 43 HB2 HIS 43 -7.669 -4.496 3.503 285 2HB HIS 43 HB1 HIS 43 -8.095 -4.615 1.761 286 HD1 HIS 43 HD1 HIS 43 -9.251 -2.745 0.675 287 HD2 HIS 43 HD2 HIS 43 -8.967 -2.204 4.822 288 HE1 HIS 43 HE1 HIS 43 -9.830 -0.326 1.154 289 HE2 HIS 43 HE2 HIS 43 -9.697 -0.047 3.666 290 H GLY 44 HN GLY 44 -7.182 -6.625 3.081 291 1HA GLY 44 HA2 GLY 44 -7.779 -9.164 2.452 292 2HA GLY 44 HA1 GLY 44 -7.715 -8.229 0.886 293 H LEU 45 HN LEU 45 -5.645 -9.498 0.546 294 HA LEU 45 HA LEU 45 -3.362 -8.933 2.118 295 1HB LEU 45 HB2 LEU 45 -3.990 -10.624 -0.080 296 2HB LEU 45 HB1 LEU 45 -2.719 -9.551 -0.716 297 HG LEU 45 HG LEU 45 -2.481 -11.092 1.944 298 1HD1 LEU 45 HD11 LEU 45 -1.238 -12.874 0.757 299 2HD1 LEU 45 HD12 LEU 45 -1.563 -12.071 -0.826 300 3HD1 LEU 45 HD13 LEU 45 -2.925 -12.733 0.140 301 1HD2 LEU 45 HD21 LEU 45 -0.020 -10.888 1.609 302 2HD2 LEU 45 HD22 LEU 45 -0.792 -9.266 1.670 303 3HD2 LEU 45 HD23 LEU 45 -0.277 -9.957 0.099 304 H ALA 46 HN ALA 46 -1.505 -7.331 1.459 305 HA ALA 46 HA ALA 46 -2.427 -5.159 -0.163 306 1HB ALA 46 HB1 ALA 46 -2.353 -3.566 1.833 307 2HB ALA 46 HB2 ALA 46 -2.120 -4.997 2.926 308 3HB ALA 46 HB3 ALA 46 -3.656 -4.788 2.031 309 H CYS 47 HN CYS 47 -0.331 -3.334 0.670 310 HA CYS 47 HA CYS 47 1.971 -5.131 1.057 311 1HB CYS 47 HB2 CYS 47 1.992 -4.707 -1.363 312 2HB CYS 47 HB1 CYS 47 1.659 -2.979 -1.097 313 H TRP 48 HN TRP 48 3.835 -3.590 1.953 314 HA TRP 48 HA TRP 48 2.643 -1.338 3.398 315 1HB TRP 48 HB2 TRP 48 2.891 -3.140 5.102 316 2HB TRP 48 HB1 TRP 48 4.525 -3.532 4.488 317 HD1 TRP 48 HD1 TRP 48 6.549 -1.707 5.149 318 HE1 TRP 48 HE1 TRP 48 6.782 -0.215 7.277 319 HE3 TRP 48 HE3 TRP 48 1.716 -1.856 6.746 320 HZ2 TRP 48 HZ2 TRP 48 5.062 0.953 9.188 321 HZ3 TRP 48 HZ3 TRP 48 1.059 -0.539 8.739 322 HH2 TRP 48 HH2 TRP 48 2.717 0.835 9.949 323 H CYS 49 HN CYS 49 4.120 0.458 3.466 324 HA CYS 49 HA CYS 49 6.700 0.015 2.195 325 1HB CYS 49 HB2 CYS 49 4.554 2.023 1.333 326 2HB CYS 49 HB1 CYS 49 6.303 2.400 1.155 327 H ASN 50 HN ASN 50 8.164 1.317 3.387 328 HA ASN 50 HA ASN 50 6.920 2.267 5.873 329 1HB ASN 50 HB2 ASN 50 8.804 0.364 5.622 330 2HB ASN 50 HB1 ASN 50 9.924 1.761 5.564 331 1HD2 ASN 50 HD22 ASN 50 9.576 3.401 7.454 332 2HD2 ASN 50 HD21 ASN 50 9.296 2.701 9.037 333 H ALA 51 HN ALA 51 6.997 3.877 3.347 334 HA ALA 51 HA ALA 51 7.234 6.243 4.630 335 1HB ALA 51 HB1 ALA 51 8.733 7.315 2.808 336 2HB ALA 51 HB2 ALA 51 9.328 5.661 2.392 337 3HB ALA 51 HB3 ALA 51 9.684 6.379 4.013 338 H LEU 52 HN LEU 52 5.646 7.334 3.220 339 HA LEU 52 HA LEU 52 6.173 6.857 0.494 340 1HB LEU 52 HB2 LEU 52 3.258 6.852 1.590 341 2HB LEU 52 HB1 LEU 52 3.681 7.571 0.014 342 HG LEU 52 HG LEU 52 2.844 5.603 -0.640 343 1HD1 LEU 52 HD11 LEU 52 5.192 5.870 -1.589 344 2HD1 LEU 52 HD12 LEU 52 4.557 4.189 -1.609 345 3HD1 LEU 52 HD13 LEU 52 5.754 4.671 -0.375 346 1HD2 LEU 52 HD21 LEU 52 4.077 4.120 1.685 347 2HD2 LEU 52 HD22 LEU 52 3.097 3.398 0.340 348 3HD2 LEU 52 HD23 LEU 52 2.355 4.606 1.447 349 HA PRO 53 HA PRO 53 5.720 11.160 1.794 350 1HB PRO 53 HB2 PRO 53 5.677 12.489 -0.660 351 2HB PRO 53 HB1 PRO 53 7.186 11.748 0.012 352 1HG PRO 53 HG1 PRO 53 5.298 10.581 -2.088 353 2HG PRO 53 HG2 PRO 53 7.105 10.638 -2.090 354 1HD PRO 53 HD1 PRO 53 5.565 8.423 -1.253 355 2HD PRO 53 HD2 PRO 53 7.229 8.767 -0.636 356 H ASP 54 HN ASP 54 4.157 13.008 1.301 357 HA ASP 54 HA ASP 54 1.616 12.170 1.875 358 1HB ASP 54 HB2 ASP 54 2.648 14.854 0.782 359 2HB ASP 54 HB1 ASP 54 1.028 14.656 1.553 360 H ASN 55 HN ASN 55 2.922 12.354 -1.334 361 HA ASN 55 HA ASN 55 0.391 13.167 -2.509 362 1HB ASN 55 HB2 ASN 55 1.601 12.964 -4.712 363 2HB ASN 55 HB1 ASN 55 2.337 14.125 -3.563 364 1HD2 ASN 55 HD21 ASN 55 2.891 11.065 -5.311 365 2HD2 ASN 55 HD22 ASN 55 4.535 10.874 -4.799 366 H VAL 56 HN VAL 56 1.391 10.280 -1.175 367 HA VAL 56 HA VAL 56 0.252 8.667 -3.370 368 HB VAL 56 HB VAL 56 1.864 7.622 -0.983 369 1HG1 VAL 56 HG11 VAL 56 2.384 5.768 -2.616 370 2HG1 VAL 56 HG12 VAL 56 1.287 6.514 -3.820 371 3HG1 VAL 56 HG13 VAL 56 0.638 5.896 -2.233 372 1HG2 VAL 56 HG21 VAL 56 3.893 7.733 -2.553 373 2HG2 VAL 56 HG22 VAL 56 3.338 9.314 -1.945 374 3HG2 VAL 56 HG23 VAL 56 2.935 8.822 -3.626 375 H GLY 57 HN GLY 57 -1.546 7.228 -2.639 376 1HA GLY 57 HA2 GLY 57 -2.570 8.080 -0.018 377 2HA GLY 57 HA1 GLY 57 -3.579 7.768 -1.515 378 H ILE 58 HN ILE 58 -3.922 6.266 0.974 379 HA ILE 58 HA ILE 58 -2.740 3.703 0.372 380 HB ILE 58 HB ILE 58 -1.834 3.550 2.679 381 1HG1 ILE 58 HG12 ILE 58 -2.008 6.613 2.824 382 2HG1 ILE 58 HG11 ILE 58 -3.276 5.570 3.549 383 1HG2 ILE 58 HG21 ILE 58 -0.420 4.111 0.617 384 2HG2 ILE 58 HG22 ILE 58 0.272 4.652 2.189 385 3HG2 ILE 58 HG23 ILE 58 -0.511 5.839 1.094 386 1HD1 ILE 58 HD11 ILE 58 -1.565 6.148 5.251 387 2HD1 ILE 58 HD12 ILE 58 -0.269 5.399 4.236 388 3HD1 ILE 58 HD13 ILE 58 -1.584 4.375 4.918 389 H ILE 59 HN ILE 59 -3.488 2.878 3.191 390 HA ILE 59 HA ILE 59 -6.182 2.334 2.406 391 HB ILE 59 HB ILE 59 -5.313 1.302 5.087 392 1HG1 ILE 59 HG12 ILE 59 -3.200 0.961 4.011 393 2HG1 ILE 59 HG11 ILE 59 -4.104 -0.562 4.271 394 1HG2 ILE 59 HG21 ILE 59 -6.792 0.197 2.602 395 2HG2 ILE 59 HG22 ILE 59 -7.491 0.652 4.194 396 3HG2 ILE 59 HG23 ILE 59 -6.421 -0.778 4.072 397 1HD1 ILE 59 HD11 ILE 59 -3.416 0.814 1.654 398 2HD1 ILE 59 HD12 ILE 59 -4.838 -0.300 1.710 399 3HD1 ILE 59 HD13 ILE 59 -3.186 -0.898 2.128 400 H VAL 60 HN VAL 60 -8.044 2.647 3.878 401 HA VAL 60 HA VAL 60 -7.833 3.902 6.310 402 HB VAL 60 HB VAL 60 -7.959 5.673 4.063 403 1HG1 VAL 60 HG11 VAL 60 -10.386 5.104 3.765 404 2HG1 VAL 60 HG12 VAL 60 -10.072 6.826 4.162 405 3HG1 VAL 60 HG13 VAL 60 -10.716 5.730 5.433 406 1HG2 VAL 60 HG21 VAL 60 -8.608 6.133 7.036 407 2HG2 VAL 60 HG22 VAL 60 -8.128 7.403 5.841 408 3HG2 VAL 60 HG23 VAL 60 -6.969 6.095 6.281 409 H GLU 61 HN GLU 61 -10.606 3.813 6.865 410 HA GLU 61 HA GLU 61 -11.994 2.399 4.938 411 1HB GLU 61 HB2 GLU 61 -10.879 0.416 5.819 412 2HB GLU 61 HB1 GLU 61 -11.280 0.883 7.525 413 1HG GLU 61 HG2 GLU 61 -13.719 0.508 7.015 414 2HG GLU 61 HG1 GLU 61 -13.304 0.151 5.292 415 H GLY 62 HN GLY 62 -14.272 2.485 5.848 416 1HA GLY 62 HA2 GLY 62 -15.731 3.639 7.359 417 2HA GLY 62 HA1 GLY 62 -14.476 4.965 7.429 418 H GLU 63 HN GLU 63 -13.459 4.695 4.953 419 HA GLU 63 HA GLU 63 -15.543 5.132 2.962 420 1HB GLU 63 HB2 GLU 63 -13.435 6.694 3.228 421 2HB GLU 63 HB1 GLU 63 -12.472 5.305 2.651 422 1HG GLU 63 HG2 GLU 63 -12.822 6.830 0.819 423 2HG GLU 63 HG1 GLU 63 -13.864 5.409 0.452 424 H LYS 64 HN LYS 64 -13.463 3.674 0.943 425 HA LYS 64 HA LYS 64 -13.096 1.149 1.870 426 1HB LYS 64 HB2 LYS 64 -15.867 1.587 1.206 427 2HB LYS 64 HB1 LYS 64 -15.211 0.808 -0.248 428 1HG LYS 64 HG2 LYS 64 -14.873 -0.228 2.641 429 2HG LYS 64 HG1 LYS 64 -16.231 -0.717 1.577 430 1HD LYS 64 HD2 LYS 64 -14.764 -1.864 0.024 431 2HD LYS 64 HD1 LYS 64 -13.280 -1.258 0.831 432 1HE LYS 64 HE2 LYS 64 -15.378 -3.049 2.229 433 2HE LYS 64 HE1 LYS 64 -13.903 -3.677 1.384 434 1HZ LYS 64 HZ1 LYS 64 -13.933 -1.809 3.697 435 2HZ LYS 64 HZ2 LYS 64 -12.552 -2.380 2.878 436 3HZ LYS 64 HZ3 LYS 64 -13.542 -3.458 3.719 437 H CYS 65 HN CYS 65 -13.279 0.090 -0.806 438 HA CYS 65 HA CYS 65 -11.026 1.384 -1.892 439 1HB CYS 65 HB2 CYS 65 -11.212 -1.066 -1.970 440 2HB CYS 65 HB1 CYS 65 -12.739 -0.955 -2.877 441 H HIS 66 HN HIS 66 -10.992 3.037 -3.473 442 HA HIS 66 HA HIS 66 -13.182 3.193 -5.292 443 1HB HIS 66 HB2 HIS 66 -13.861 5.523 -4.850 444 2HB HIS 66 HB1 HIS 66 -14.256 4.482 -3.448 445 HD1 HIS 66 HD1 HIS 66 -11.736 4.642 -1.749 446 HD2 HIS 66 HD2 HIS 66 -13.459 7.936 -3.693 447 HE1 HIS 66 HE1 HIS 66 -11.058 6.724 -0.463 448 HE2 HIS 66 HE2 HIS 66 -12.141 8.680 -1.664 449 H SER 67 HN SER 67 -12.506 4.613 -7.170 450 HA SER 67 HA SER 67 -10.017 5.825 -7.171 451 1HB SER 67 HB2 SER 67 -10.450 3.248 -8.871 452 2HB SER 67 HB1 SER 67 -9.017 4.338 -8.956 453 HG SER 67 HG SER 67 -8.359 3.585 -6.946 454 1HN NH2 68 H1 NH2 68 -10.110 6.343 -9.866 455 2HN NH2 68 H2 NH2 68 -11.731 6.606 -10.423 Start of MODEL 40 1 1H VAL 1 HT1 VAL 1 8.098 12.448 5.411 2 2H VAL 1 HT2 VAL 1 7.882 11.684 6.917 3 3H VAL 1 HT3 VAL 1 6.607 12.569 6.227 4 HA VAL 1 HA VAL 1 6.435 11.059 4.446 5 HB VAL 1 HB VAL 1 7.683 8.880 4.493 6 1HG1 VAL 1 HG11 VAL 1 8.449 10.763 3.042 7 2HG1 VAL 1 HG12 VAL 1 9.818 9.751 3.617 8 3HG1 VAL 1 HG13 VAL 1 9.518 11.360 4.367 9 1HG2 VAL 1 HG21 VAL 1 9.700 8.630 5.934 10 2HG2 VAL 1 HG22 VAL 1 8.234 8.812 6.955 11 3HG2 VAL 1 HG23 VAL 1 9.362 10.200 6.740 12 H ARG 2 HN ARG 2 5.418 8.741 4.673 13 HA ARG 2 HA ARG 2 4.304 8.406 7.390 14 1HB ARG 2 HB2 ARG 2 2.878 7.694 4.743 15 2HB ARG 2 HB1 ARG 2 2.219 7.582 6.410 16 1HG ARG 2 HG2 ARG 2 1.295 9.618 6.047 17 2HG ARG 2 HG1 ARG 2 2.939 10.274 6.255 18 1HD ARG 2 HD2 ARG 2 2.490 11.234 4.183 19 2HD ARG 2 HD1 ARG 2 3.113 9.666 3.573 20 HE ARG 2 HE ARG 2 0.904 9.092 2.882 21 1HH1 ARG 2 HH21 ARG 2 0.799 12.033 4.932 22 2HH1 ARG 2 HH22 ARG 2 -0.864 12.363 4.582 23 1HH2 ARG 2 HH11 ARG 2 -1.308 9.572 2.432 24 2HH2 ARG 2 HH12 ARG 2 -2.074 10.949 3.150 25 H ASP 3 HN ASP 3 3.483 5.918 7.574 26 HA ASP 3 HA ASP 3 4.935 4.158 5.831 27 1HB ASP 3 HB2 ASP 3 4.656 3.652 8.891 28 2HB ASP 3 HB1 ASP 3 5.472 2.608 7.677 29 H GLY 4 HN GLY 4 3.199 2.495 5.378 30 1HA GLY 4 HA2 GLY 4 1.159 2.251 7.239 31 2HA GLY 4 HA1 GLY 4 0.599 3.216 5.804 32 H TYR 5 HN TYR 5 -0.774 1.168 5.589 33 HA TYR 5 HA TYR 5 0.600 -0.923 4.103 34 1HB TYR 5 HB2 TYR 5 -2.379 -0.364 4.648 35 2HB TYR 5 HB1 TYR 5 -1.791 -1.612 3.485 36 HD1 TYR 5 HD1 TYR 5 -1.992 -0.706 7.106 37 HD2 TYR 5 HD2 TYR 5 -0.767 -3.640 4.212 38 HE1 TYR 5 HE1 TYR 5 -1.900 -2.418 8.883 39 HE2 TYR 5 HE2 TYR 5 -0.723 -5.357 5.966 40 HH TYR 5 HH TYR 5 -1.831 -5.782 8.129 41 H ILE 6 HN ILE 6 0.525 -0.789 1.741 42 HA ILE 6 HA ILE 6 -0.390 1.840 0.792 43 HB ILE 6 HB ILE 6 1.916 1.540 0.319 44 1HG1 ILE 6 HG12 ILE 6 0.255 1.357 -2.269 45 2HG1 ILE 6 HG11 ILE 6 0.423 2.819 -1.233 46 1HG2 ILE 6 HG21 ILE 6 2.657 -0.273 -1.296 47 2HG2 ILE 6 HG22 ILE 6 1.016 -1.005 -1.154 48 3HG2 ILE 6 HG23 ILE 6 2.098 -0.881 0.291 49 1HD1 ILE 6 HD11 ILE 6 2.943 2.737 -1.590 50 2HD1 ILE 6 HD12 ILE 6 1.995 3.035 -3.073 51 3HD1 ILE 6 HD13 ILE 6 2.687 1.401 -2.777 52 H ALA 7 HN ALA 7 -1.730 2.061 -0.694 53 HA ALA 7 HA ALA 7 -3.785 0.080 -1.075 54 1HB ALA 7 HB1 ALA 7 -4.211 2.493 -0.170 55 2HB ALA 7 HB2 ALA 7 -5.207 2.049 -1.583 56 3HB ALA 7 HB3 ALA 7 -3.751 3.102 -1.785 57 H GLN 8 HN GLN 8 -4.910 1.642 -3.298 58 HA GLN 8 HA GLN 8 -3.086 1.689 -5.462 59 1HB GLN 8 HB2 GLN 8 -6.015 0.620 -5.517 60 2HB GLN 8 HB1 GLN 8 -5.028 0.947 -6.981 61 1HG GLN 8 HG2 GLN 8 -3.592 -0.981 -6.519 62 2HG GLN 8 HG1 GLN 8 -4.274 -1.149 -4.857 63 1HE2 GLN 8 HE22 GLN 8 -5.827 -2.762 -4.690 64 2HE2 GLN 8 HE21 GLN 8 -6.829 -3.331 -6.003 65 HA PRO 9 HA PRO 9 -5.745 5.371 -4.907 66 1HB PRO 9 HB2 PRO 9 -5.680 5.664 -7.962 67 2HB PRO 9 HB1 PRO 9 -5.297 6.919 -6.713 68 1HG PRO 9 HG1 PRO 9 -3.294 5.689 -8.135 69 2HG PRO 9 HG2 PRO 9 -3.102 5.996 -6.358 70 1HD PRO 9 HD1 PRO 9 -3.947 3.374 -7.729 71 2HD PRO 9 HD2 PRO 9 -2.725 3.650 -6.394 72 H GLU 10 HN GLU 10 -9.068 4.233 -5.783 73 HA GLU 10 HA GLU 10 -7.714 6.697 -5.180 74 1HB GLU 10 HB2 GLU 10 -10.541 5.701 -4.657 75 2HB GLU 10 HB1 GLU 10 -9.933 7.332 -4.230 76 1HG GLU 10 HG2 GLU 10 -9.310 7.617 -6.741 77 2HG GLU 10 HG1 GLU 10 -10.204 6.080 -7.043 78 H ASN 11 HN ASN 11 -9.294 3.968 -3.281 79 HA ASN 11 HA ASN 11 -7.427 4.308 -1.219 80 1HB ASN 11 HB2 ASN 11 -9.371 5.888 -0.450 81 2HB ASN 11 HB1 ASN 11 -10.505 4.514 -0.682 82 1HD2 ASN 11 HD22 ASN 11 -10.711 2.987 1.096 83 2HD2 ASN 11 HD21 ASN 11 -9.743 3.153 2.546 84 H CYS 12 HN CYS 12 -7.226 2.011 -0.776 85 HA CYS 12 HA CYS 12 -9.091 0.128 -1.246 86 1HB CYS 12 HB2 CYS 12 -7.888 1.025 -3.784 87 2HB CYS 12 HB1 CYS 12 -7.147 -0.503 -3.419 88 H VAL 13 HN VAL 13 -7.232 -1.952 -1.880 89 HA VAL 13 HA VAL 13 -5.006 -1.502 -0.048 90 HB VAL 13 HB VAL 13 -4.958 -4.132 -0.090 91 1HG1 VAL 13 HG11 VAL 13 -5.361 -2.971 2.024 92 2HG1 VAL 13 HG12 VAL 13 -6.498 -4.340 1.875 93 3HG1 VAL 13 HG13 VAL 13 -7.074 -2.646 1.579 94 1HG2 VAL 13 HG21 VAL 13 -7.099 -5.283 -0.332 95 2HG2 VAL 13 HG22 VAL 13 -6.720 -4.413 -1.852 96 3HG2 VAL 13 HG23 VAL 13 -7.964 -3.749 -0.706 97 H TYR 14 HN TYR 14 -3.038 -2.530 -1.083 98 HA TYR 14 HA TYR 14 -3.315 -2.792 -3.937 99 1HB TYR 14 HB2 TYR 14 -1.080 -2.303 -2.172 100 2HB TYR 14 HB1 TYR 14 -0.764 -3.861 -2.890 101 HD1 TYR 14 HD1 TYR 14 0.867 -1.420 -3.251 102 HD2 TYR 14 HD2 TYR 14 -2.184 -3.170 -5.731 103 HE1 TYR 14 HE1 TYR 14 1.904 -0.416 -5.238 104 HE2 TYR 14 HE2 TYR 14 -1.194 -2.135 -7.696 105 HH TYR 14 HH TYR 14 0.509 -0.855 -8.513 106 H HIS 15 HN HIS 15 -1.535 -5.278 -4.204 107 HA HIS 15 HA HIS 15 -2.679 -7.148 -2.437 108 1HB HIS 15 HB2 HIS 15 -2.958 -7.512 -5.510 109 2HB HIS 15 HB1 HIS 15 -3.010 -8.857 -4.311 110 HD1 HIS 15 HD1 HIS 15 -5.067 -5.911 -5.489 111 HD2 HIS 15 HD2 HIS 15 -5.346 -9.049 -2.716 112 HE1 HIS 15 HE1 HIS 15 -7.437 -5.913 -4.576 113 HE2 HIS 15 HE2 HIS 15 -7.562 -7.824 -2.929 114 H CYS 16 HN CYS 16 -0.945 -9.074 -2.837 115 HA CYS 16 HA CYS 16 1.541 -7.791 -3.556 116 1HB CYS 16 HB2 CYS 16 1.123 -7.525 -0.998 117 2HB CYS 16 HB1 CYS 16 0.959 -9.288 -0.897 118 H PHE 17 HN PHE 17 3.185 -9.711 -3.502 119 HA PHE 17 HA PHE 17 1.878 -12.186 -4.315 120 1HB PHE 17 HB2 PHE 17 4.659 -11.049 -5.101 121 2HB PHE 17 HB1 PHE 17 3.903 -12.569 -5.697 122 HD1 PHE 17 HD1 PHE 17 1.783 -12.375 -7.127 123 HD2 PHE 17 HD2 PHE 17 4.071 -8.905 -6.023 124 HE1 PHE 17 HE1 PHE 17 0.695 -11.081 -8.926 125 HE2 PHE 17 HE2 PHE 17 2.981 -7.613 -7.820 126 HZ PHE 17 HZ PHE 17 1.293 -8.699 -9.281 127 HA PRO 18 HA PRO 18 3.778 -12.518 -0.222 128 1HB PRO 18 HB2 PRO 18 3.247 -15.485 -0.885 129 2HB PRO 18 HB1 PRO 18 3.112 -14.693 0.743 130 1HG PRO 18 HG1 PRO 18 0.876 -15.058 -0.802 131 2HG PRO 18 HG2 PRO 18 1.122 -13.478 0.054 132 1HD PRO 18 HD1 PRO 18 1.467 -14.089 -2.897 133 2HD PRO 18 HD2 PRO 18 1.011 -12.539 -2.066 134 H GLY 19 HN GLY 19 5.924 -12.494 0.316 135 1HA GLY 19 HA2 GLY 19 8.102 -13.699 -0.090 136 2HA GLY 19 HA1 GLY 19 7.688 -13.315 -1.832 137 H SER 20 HN SER 20 6.390 -11.123 -1.844 138 HA SER 20 HA SER 20 6.000 -9.074 -0.975 139 1HB SER 20 HB2 SER 20 8.952 -8.665 -0.249 140 2HB SER 20 HB1 SER 20 7.594 -7.490 -0.028 141 HG SER 20 HG SER 20 8.028 -10.002 1.160 142 H SER 21 HN SER 21 8.718 -10.346 -2.839 143 HA SER 21 HA SER 21 10.057 -8.407 -3.672 144 1HB SER 21 HB2 SER 21 9.237 -10.586 -5.659 145 2HB SER 21 HB1 SER 21 10.878 -9.908 -5.320 146 HG SER 21 HG SER 21 10.626 -11.914 -4.320 147 H GLY 22 HN GLY 22 7.107 -9.350 -5.517 148 1HA GLY 22 HA2 GLY 22 7.578 -7.449 -7.546 149 2HA GLY 22 HA1 GLY 22 6.039 -8.312 -7.185 150 H CYS 23 HN CYS 23 5.697 -7.311 -4.464 151 HA CYS 23 HA CYS 23 4.487 -4.838 -5.421 152 1HB CYS 23 HB2 CYS 23 3.234 -6.679 -4.101 153 2HB CYS 23 HB1 CYS 23 4.069 -6.030 -2.653 154 H ASP 24 HN ASP 24 7.017 -6.004 -3.273 155 HA ASP 24 HA ASP 24 7.594 -3.611 -1.949 156 1HB ASP 24 HB2 ASP 24 8.621 -5.870 -1.426 157 2HB ASP 24 HB1 ASP 24 9.547 -5.789 -2.962 158 H THR 25 HN THR 25 8.379 -4.815 -5.230 159 HA THR 25 HA THR 25 9.973 -2.580 -5.910 160 HB THR 25 HB THR 25 8.410 -4.383 -7.808 161 HG1 THR 25 HG1 THR 25 9.717 -5.684 -6.471 162 1HG2 THR 25 HG21 THR 25 11.010 -2.711 -8.107 163 2HG2 THR 25 HG22 THR 25 9.423 -2.331 -8.870 164 3HG2 THR 25 HG23 THR 25 10.322 -3.804 -9.365 165 H LEU 26 HN LEU 26 6.428 -3.334 -6.250 166 HA LEU 26 HA LEU 26 5.799 -1.055 -7.720 167 1HB LEU 26 HB2 LEU 26 3.995 -2.507 -5.706 168 2HB LEU 26 HB1 LEU 26 3.470 -1.305 -6.910 169 HG LEU 26 HG LEU 26 4.753 -4.006 -7.595 170 1HD1 LEU 26 HD11 LEU 26 2.551 -4.769 -8.278 171 2HD1 LEU 26 HD12 LEU 26 1.823 -3.157 -7.940 172 3HD1 LEU 26 HD13 LEU 26 2.435 -4.166 -6.582 173 1HD2 LEU 26 HD21 LEU 26 5.308 -2.406 -9.362 174 2HD2 LEU 26 HD22 LEU 26 3.606 -1.820 -9.434 175 3HD2 LEU 26 HD23 LEU 26 4.017 -3.501 -9.953 176 H CYS 27 HN CYS 27 5.920 -1.627 -4.236 177 HA CYS 27 HA CYS 27 5.169 0.843 -3.260 178 1HB CYS 27 HB2 CYS 27 5.751 -1.179 -1.861 179 2HB CYS 27 HB1 CYS 27 7.469 -0.956 -2.283 180 H LYS 28 HN LYS 28 8.451 -0.139 -4.525 181 HA LYS 28 HA LYS 28 9.641 2.289 -3.812 182 1HB LYS 28 HB2 LYS 28 10.500 0.202 -5.860 183 2HB LYS 28 HB1 LYS 28 11.490 1.641 -5.420 184 1HG LYS 28 HG2 LYS 28 11.582 0.939 -3.055 185 2HG LYS 28 HG1 LYS 28 10.529 -0.467 -3.400 186 1HD LYS 28 HD2 LYS 28 12.265 -1.337 -5.029 187 2HD LYS 28 HD1 LYS 28 13.370 -0.017 -4.508 188 1HE LYS 28 HE2 LYS 28 12.166 -2.210 -2.668 189 2HE LYS 28 HE1 LYS 28 13.851 -2.197 -3.329 190 1HZ LYS 28 HZ1 LYS 28 12.679 -0.112 -1.562 191 2HZ LYS 28 HZ2 LYS 28 14.275 -0.185 -2.126 192 3HZ LYS 28 HZ3 LYS 28 13.696 -1.376 -1.064 193 H GLU 29 HN GLU 29 8.105 1.260 -6.909 194 HA GLU 29 HA GLU 29 8.984 3.643 -8.206 195 1HB GLU 29 HB2 GLU 29 7.548 2.983 -10.100 196 2HB GLU 29 HB1 GLU 29 8.617 1.656 -9.535 197 1HG GLU 29 HG2 GLU 29 6.681 0.705 -8.221 198 2HG GLU 29 HG1 GLU 29 5.595 1.951 -8.938 199 H LYS 30 HN LYS 30 6.511 3.132 -5.896 200 HA LYS 30 HA LYS 30 5.059 5.527 -6.813 201 1HB LYS 30 HB2 LYS 30 4.343 3.424 -4.710 202 2HB LYS 30 HB1 LYS 30 3.377 4.905 -5.053 203 1HG LYS 30 HG2 LYS 30 2.978 4.142 -7.399 204 2HG LYS 30 HG1 LYS 30 4.052 2.733 -7.134 205 1HD LYS 30 HD2 LYS 30 1.860 1.874 -7.020 206 2HD LYS 30 HD1 LYS 30 2.504 1.886 -5.345 207 1HE LYS 30 HE2 LYS 30 1.136 3.992 -4.876 208 2HE LYS 30 HE1 LYS 30 0.491 3.917 -6.565 209 1HZ LYS 30 HZ1 LYS 30 -0.444 1.776 -6.071 210 2HZ LYS 30 HZ2 LYS 30 -0.983 2.925 -4.941 211 3HZ LYS 30 HZ3 LYS 30 0.198 1.793 -4.501 212 H GLY 31 HN GLY 31 7.828 4.868 -5.207 213 1HA GLY 31 HA2 GLY 31 9.037 6.464 -4.270 214 2HA GLY 31 HA1 GLY 31 7.560 7.425 -3.899 215 H GLY 32 HN GLY 32 7.566 4.029 -2.873 216 1HA GLY 32 HA2 GLY 32 7.929 4.890 -0.110 217 2HA GLY 32 HA1 GLY 32 7.528 3.255 -0.777 218 H THR 33 HN THR 33 9.777 4.022 1.188 219 HA THR 33 HA THR 33 12.066 4.095 -0.622 220 HB THR 33 HB THR 33 11.940 4.208 2.417 221 HG1 THR 33 HG1 THR 33 10.820 5.944 1.345 222 1HG2 THR 33 HG21 THR 33 14.152 5.005 0.381 223 2HG2 THR 33 HG22 THR 33 14.217 3.589 1.496 224 3HG2 THR 33 HG23 THR 33 14.210 5.257 2.165 225 H SER 34 HN SER 34 10.307 1.809 1.565 226 HA SER 34 HA SER 34 11.396 -0.317 0.210 227 1HB SER 34 HB2 SER 34 12.296 0.028 3.164 228 2HB SER 34 HB1 SER 34 12.313 -1.556 2.289 229 HG SER 34 HG SER 34 13.519 0.619 1.022 230 H GLY 35 HN GLY 35 10.124 -2.349 1.904 231 1HA GLY 35 HA2 GLY 35 7.911 -1.260 3.125 232 2HA GLY 35 HA1 GLY 35 7.602 -1.619 1.348 233 H HIS 36 HN HIS 36 6.194 -3.429 2.310 234 HA HIS 36 HA HIS 36 7.627 -5.825 2.668 235 1HB HIS 36 HB2 HIS 36 6.035 -4.740 5.114 236 2HB HIS 36 HB1 HIS 36 6.766 -6.375 4.959 237 HD1 HIS 36 HD1 HIS 36 7.612 -2.840 5.872 238 HD2 HIS 36 HD2 HIS 36 9.643 -6.459 5.210 239 HE1 HIS 36 HE1 HIS 36 9.966 -2.548 6.736 240 HE2 HIS 36 HE2 HIS 36 11.160 -4.746 6.320 241 H CYS 37 HN CYS 37 5.055 -6.980 3.938 242 HA CYS 37 HA CYS 37 2.949 -5.807 2.507 243 1HB CYS 37 HB2 CYS 37 3.926 -8.678 1.850 244 2HB CYS 37 HB1 CYS 37 2.244 -8.110 1.560 245 H GLY 38 HN GLY 38 0.965 -7.386 3.328 246 1HA GLY 38 HA2 GLY 38 1.366 -8.854 5.570 247 2HA GLY 38 HA1 GLY 38 1.066 -7.088 5.993 248 H PHE 39 HN PHE 39 -1.226 -8.124 6.608 249 HA PHE 39 HA PHE 39 -2.893 -8.135 4.211 250 1HB PHE 39 HB2 PHE 39 -2.513 -10.470 5.497 251 2HB PHE 39 HB1 PHE 39 -3.475 -9.731 6.817 252 HD1 PHE 39 HD1 PHE 39 -3.504 -11.308 3.526 253 HD2 PHE 39 HD2 PHE 39 -5.880 -9.089 6.322 254 HE1 PHE 39 HE1 PHE 39 -5.554 -12.120 2.418 255 HE2 PHE 39 HE2 PHE 39 -7.937 -9.893 5.221 256 HZ PHE 39 HZ PHE 39 -7.785 -11.444 3.283 257 H LYS 40 HN LYS 40 -4.902 -6.892 4.725 258 HA LYS 40 HA LYS 40 -4.833 -5.575 7.351 259 1HB LYS 40 HB2 LYS 40 -4.241 -3.868 5.630 260 2HB LYS 40 HB1 LYS 40 -5.649 -4.372 4.635 261 1HG LYS 40 HG2 LYS 40 -6.075 -2.252 5.854 262 2HG LYS 40 HG1 LYS 40 -7.224 -3.542 6.324 263 1HD LYS 40 HD2 LYS 40 -5.832 -3.940 8.438 264 2HD LYS 40 HD1 LYS 40 -4.756 -2.598 7.927 265 1HE LYS 40 HE2 LYS 40 -6.370 -1.802 9.622 266 2HE LYS 40 HE1 LYS 40 -6.770 -1.023 8.037 267 1HZ LYS 40 HZ1 LYS 40 -8.511 -2.621 7.729 268 2HZ LYS 40 HZ2 LYS 40 -8.701 -1.849 9.230 269 3HZ LYS 40 HZ3 LYS 40 -8.107 -3.439 9.160 270 H VAL 41 HN VAL 41 -6.348 -6.929 8.342 271 HA VAL 41 HA VAL 41 -8.414 -8.097 6.791 272 HB VAL 41 HB VAL 41 -8.397 -7.974 9.842 273 1HG1 VAL 41 HG11 VAL 41 -10.445 -8.878 8.691 274 2HG1 VAL 41 HG12 VAL 41 -9.550 -10.205 9.513 275 3HG1 VAL 41 HG13 VAL 41 -9.422 -10.010 7.728 276 1HG2 VAL 41 HG21 VAL 41 -6.090 -8.721 9.157 277 2HG2 VAL 41 HG22 VAL 41 -6.822 -9.957 8.061 278 3HG2 VAL 41 HG23 VAL 41 -7.052 -10.071 9.835 279 H GLY 42 HN GLY 42 -10.391 -7.150 6.335 280 1HA GLY 42 HA2 GLY 42 -12.049 -5.509 7.313 281 2HA GLY 42 HA1 GLY 42 -10.607 -4.400 7.278 282 H HIS 43 HN HIS 43 -9.255 -5.565 5.036 283 HA HIS 43 HA HIS 43 -11.206 -5.067 2.862 284 1HB HIS 43 HB2 HIS 43 -8.358 -3.982 3.173 285 2HB HIS 43 HB1 HIS 43 -9.133 -4.201 1.565 286 HD1 HIS 43 HD1 HIS 43 -8.682 -1.605 1.407 287 HD2 HIS 43 HD2 HIS 43 -11.748 -2.734 4.046 288 HE1 HIS 43 HE1 HIS 43 -10.127 0.433 1.796 289 HE2 HIS 43 HE2 HIS 43 -11.956 -0.289 3.401 290 H GLY 44 HN GLY 44 -7.757 -6.347 3.516 291 1HA GLY 44 HA2 GLY 44 -8.174 -8.835 2.731 292 2HA GLY 44 HA1 GLY 44 -8.111 -7.905 1.169 293 H LEU 45 HN LEU 45 -6.166 -9.046 0.705 294 HA LEU 45 HA LEU 45 -3.756 -8.786 2.158 295 1HB LEU 45 HB2 LEU 45 -4.288 -10.638 0.520 296 2HB LEU 45 HB1 LEU 45 -4.522 -9.415 -0.768 297 HG LEU 45 HG LEU 45 -2.082 -8.871 -0.705 298 1HD1 LEU 45 HD11 LEU 45 -1.435 -9.540 1.609 299 2HD1 LEU 45 HD12 LEU 45 -0.485 -10.462 0.395 300 3HD1 LEU 45 HD13 LEU 45 -1.853 -11.259 1.244 301 1HD2 LEU 45 HD21 LEU 45 -2.834 -11.831 -1.162 302 2HD2 LEU 45 HD22 LEU 45 -1.383 -11.014 -1.833 303 3HD2 LEU 45 HD23 LEU 45 -3.033 -10.484 -2.342 304 H ALA 46 HN ALA 46 -1.897 -7.175 1.466 305 HA ALA 46 HA ALA 46 -2.767 -5.043 -0.208 306 1HB ALA 46 HB1 ALA 46 -2.251 -4.623 2.824 307 2HB ALA 46 HB2 ALA 46 -3.861 -4.493 2.062 308 3HB ALA 46 HB3 ALA 46 -2.575 -3.309 1.614 309 H CYS 47 HN CYS 47 -0.616 -3.300 0.436 310 HA CYS 47 HA CYS 47 1.586 -5.187 0.967 311 1HB CYS 47 HB2 CYS 47 1.865 -2.901 -1.033 312 2HB CYS 47 HB1 CYS 47 3.108 -4.097 -0.543 313 H TRP 48 HN TRP 48 3.533 -3.546 1.678 314 HA TRP 48 HA TRP 48 2.260 -1.458 3.282 315 1HB TRP 48 HB2 TRP 48 2.394 -3.382 4.805 316 2HB TRP 48 HB1 TRP 48 4.024 -3.795 4.190 317 HD1 TRP 48 HD1 TRP 48 6.075 -2.083 4.918 318 HE1 TRP 48 HE1 TRP 48 6.424 -0.661 6.948 319 HE3 TRP 48 HE3 TRP 48 1.281 -2.204 6.629 320 HZ2 TRP 48 HZ2 TRP 48 4.776 0.343 9.149 321 HZ3 TRP 48 HZ3 TRP 48 0.717 -1.001 8.718 322 HH2 TRP 48 HH2 TRP 48 2.442 0.257 9.959 323 H CYS 49 HN CYS 49 3.775 0.310 3.697 324 HA CYS 49 HA CYS 49 6.264 0.067 2.172 325 1HB CYS 49 HB2 CYS 49 4.236 2.350 1.898 326 2HB CYS 49 HB1 CYS 49 5.978 2.531 1.512 327 H ASN 50 HN ASN 50 7.924 1.364 3.039 328 HA ASN 50 HA ASN 50 7.224 2.779 5.512 329 1HB ASN 50 HB2 ASN 50 9.697 1.097 4.786 330 2HB ASN 50 HB1 ASN 50 9.877 2.523 5.863 331 1HD2 ASN 50 HD22 ASN 50 9.357 2.332 8.048 332 2HD2 ASN 50 HD21 ASN 50 8.615 0.936 8.747 333 H ALA 51 HN ALA 51 7.697 4.874 5.391 334 HA ALA 51 HA ALA 51 8.294 6.798 4.768 335 1HB ALA 51 HB1 ALA 51 10.574 6.188 5.282 336 2HB ALA 51 HB2 ALA 51 10.570 7.252 3.824 337 3HB ALA 51 HB3 ALA 51 10.789 5.471 3.651 338 H LEU 52 HN LEU 52 6.370 6.688 3.516 339 HA LEU 52 HA LEU 52 6.779 7.036 0.614 340 1HB LEU 52 HB2 LEU 52 4.272 6.671 2.364 341 2HB LEU 52 HB1 LEU 52 4.153 7.392 0.727 342 HG LEU 52 HG LEU 52 5.379 4.632 1.197 343 1HD1 LEU 52 HD11 LEU 52 3.122 3.720 0.456 344 2HD1 LEU 52 HD12 LEU 52 2.449 5.389 0.577 345 3HD1 LEU 52 HD13 LEU 52 3.059 4.549 2.057 346 1HD2 LEU 52 HD21 LEU 52 5.802 5.885 -1.032 347 2HD2 LEU 52 HD22 LEU 52 4.042 5.781 -1.338 348 3HD2 LEU 52 HD23 LEU 52 5.009 4.278 -1.187 349 HA PRO 53 HA PRO 53 6.524 11.267 2.143 350 1HB PRO 53 HB2 PRO 53 5.944 11.932 -0.798 351 2HB PRO 53 HB1 PRO 53 7.137 12.729 0.303 352 1HG PRO 53 HG1 PRO 53 7.945 10.957 -1.616 353 2HG PRO 53 HG2 PRO 53 8.672 10.861 0.046 354 1HD PRO 53 HD1 PRO 53 6.409 9.119 -1.115 355 2HD PRO 53 HD2 PRO 53 7.858 8.648 -0.141 356 H ASP 54 HN ASP 54 5.030 13.265 1.864 357 HA ASP 54 HA ASP 54 2.344 12.416 2.200 358 1HB ASP 54 HB2 ASP 54 3.612 15.203 1.959 359 2HB ASP 54 HB1 ASP 54 1.926 14.892 2.544 360 H ASN 55 HN ASN 55 3.828 12.537 -0.705 361 HA ASN 55 HA ASN 55 1.653 13.998 -2.039 362 1HB ASN 55 HB2 ASN 55 2.844 13.906 -4.106 363 2HB ASN 55 HB1 ASN 55 3.972 14.517 -2.858 364 1HD2 ASN 55 HD21 ASN 55 3.052 11.542 -4.717 365 2HD2 ASN 55 HD22 ASN 55 4.676 10.908 -4.805 366 H VAL 56 HN VAL 56 2.108 11.022 -0.664 367 HA VAL 56 HA VAL 56 0.745 9.623 -2.863 368 HB VAL 56 HB VAL 56 2.054 8.112 -0.575 369 1HG1 VAL 56 HG11 VAL 56 0.694 6.886 -2.284 370 2HG1 VAL 56 HG12 VAL 56 2.427 6.473 -2.472 371 3HG1 VAL 56 HG13 VAL 56 1.664 7.623 -3.614 372 1HG2 VAL 56 HG21 VAL 56 3.883 9.700 -1.192 373 2HG2 VAL 56 HG22 VAL 56 3.633 9.356 -2.932 374 3HG2 VAL 56 HG23 VAL 56 4.241 8.081 -1.819 375 H GLY 57 HN GLY 57 -0.852 7.822 -1.592 376 1HA GLY 57 HA2 GLY 57 -1.784 8.841 0.858 377 2HA GLY 57 HA1 GLY 57 -2.941 8.920 -0.584 378 H ILE 58 HN ILE 58 -3.552 6.865 1.386 379 HA ILE 58 HA ILE 58 -2.630 4.403 0.368 380 HB ILE 58 HB ILE 58 -1.649 3.829 2.699 381 1HG1 ILE 58 HG12 ILE 58 -1.168 6.877 2.752 382 2HG1 ILE 58 HG11 ILE 58 -2.204 5.930 3.878 383 1HG2 ILE 58 HG21 ILE 58 -0.500 3.930 0.418 384 2HG2 ILE 58 HG22 ILE 58 0.542 4.068 1.874 385 3HG2 ILE 58 HG23 ILE 58 0.130 5.543 0.904 386 1HD1 ILE 58 HD11 ILE 58 -0.150 4.542 4.471 387 2HD1 ILE 58 HD12 ILE 58 -0.049 6.271 4.973 388 3HD1 ILE 58 HD13 ILE 58 0.859 5.693 3.520 389 H ILE 59 HN ILE 59 -3.335 3.098 2.780 390 HA ILE 59 HA ILE 59 -6.061 3.176 2.233 391 HB ILE 59 HB ILE 59 -4.640 1.503 4.365 392 1HG1 ILE 59 HG12 ILE 59 -4.685 1.272 1.315 393 2HG1 ILE 59 HG11 ILE 59 -3.254 1.316 2.392 394 1HG2 ILE 59 HG21 ILE 59 -7.164 1.395 4.323 395 2HG2 ILE 59 HG22 ILE 59 -6.436 -0.151 3.825 396 3HG2 ILE 59 HG23 ILE 59 -7.117 0.959 2.575 397 1HD1 ILE 59 HD11 ILE 59 -4.102 -0.930 3.362 398 2HD1 ILE 59 HD12 ILE 59 -3.498 -0.943 1.652 399 3HD1 ILE 59 HD13 ILE 59 -5.273 -0.916 1.992 400 H VAL 60 HN VAL 60 -7.483 4.470 3.134 401 HA VAL 60 HA VAL 60 -7.486 4.784 6.049 402 HB VAL 60 HB VAL 60 -7.997 6.604 3.945 403 1HG1 VAL 60 HG11 VAL 60 -10.220 5.595 3.502 404 2HG1 VAL 60 HG12 VAL 60 -10.328 7.285 4.096 405 3HG1 VAL 60 HG13 VAL 60 -10.722 5.934 5.212 406 1HG2 VAL 60 HG21 VAL 60 -7.111 7.127 6.167 407 2HG2 VAL 60 HG22 VAL 60 -8.714 6.793 6.932 408 3HG2 VAL 60 HG23 VAL 60 -8.527 8.173 5.784 409 H GLU 61 HN GLU 61 -9.992 4.191 6.899 410 HA GLU 61 HA GLU 61 -11.270 2.472 5.074 411 1HB GLU 61 HB2 GLU 61 -9.691 0.841 6.183 412 2HB GLU 61 HB1 GLU 61 -10.349 1.317 7.790 413 1HG GLU 61 HG2 GLU 61 -12.570 0.407 7.203 414 2HG GLU 61 HG1 GLU 61 -12.094 0.220 5.477 415 H GLY 62 HN GLY 62 -13.477 2.191 6.192 416 1HA GLY 62 HA2 GLY 62 -14.972 3.319 7.697 417 2HA GLY 62 HA1 GLY 62 -13.986 4.821 7.421 418 H GLU 63 HN GLU 63 -13.317 3.997 4.691 419 HA GLU 63 HA GLU 63 -15.799 4.761 3.367 420 1HB GLU 63 HB2 GLU 63 -13.702 6.152 3.045 421 2HB GLU 63 HB1 GLU 63 -12.951 4.772 2.202 422 1HG GLU 63 HG2 GLU 63 -14.877 4.884 0.491 423 2HG GLU 63 HG1 GLU 63 -15.551 6.277 1.416 424 H LYS 64 HN LYS 64 -13.275 3.018 1.465 425 HA LYS 64 HA LYS 64 -14.458 0.521 1.680 426 1HB LYS 64 HB2 LYS 64 -16.266 2.080 0.366 427 2HB LYS 64 HB1 LYS 64 -15.135 1.894 -0.999 428 1HG LYS 64 HG2 LYS 64 -15.430 -0.698 -0.648 429 2HG LYS 64 HG1 LYS 64 -16.668 -0.283 0.580 430 1HD LYS 64 HD2 LYS 64 -17.985 0.934 -1.173 431 2HD LYS 64 HD1 LYS 64 -16.721 0.537 -2.396 432 1HE LYS 64 HE2 LYS 64 -17.173 -1.922 -2.070 433 2HE LYS 64 HE1 LYS 64 -18.464 -1.520 -0.866 434 1HZ LYS 64 HZ1 LYS 64 -19.624 -0.321 -2.597 435 2HZ LYS 64 HZ2 LYS 64 -19.351 -1.938 -3.044 436 3HZ LYS 64 HZ3 LYS 64 -18.409 -0.699 -3.724 437 H CYS 65 HN CYS 65 -13.829 -0.076 -1.111 438 HA CYS 65 HA CYS 65 -11.053 0.678 -1.393 439 1HB CYS 65 HB2 CYS 65 -11.416 -1.757 -0.464 440 2HB CYS 65 HB1 CYS 65 -12.383 -2.085 -1.913 441 H HIS 66 HN HIS 66 -11.064 1.775 -3.366 442 HA HIS 66 HA HIS 66 -12.862 0.868 -5.451 443 1HB HIS 66 HB2 HIS 66 -13.554 3.278 -5.946 444 2HB HIS 66 HB1 HIS 66 -14.356 2.550 -4.514 445 HD1 HIS 66 HD1 HIS 66 -13.574 5.679 -5.270 446 HD2 HIS 66 HD2 HIS 66 -12.176 3.275 -2.123 447 HE1 HIS 66 HE1 HIS 66 -12.740 7.224 -3.444 448 HE2 HIS 66 HE2 HIS 66 -11.978 5.739 -1.546 449 H SER 67 HN SER 67 -11.191 0.392 -6.889 450 HA SER 67 HA SER 67 -8.843 2.026 -6.841 451 1HB SER 67 HB2 SER 67 -9.624 -0.195 -8.821 452 2HB SER 67 HB1 SER 67 -8.009 0.598 -8.659 453 HG SER 67 HG SER 67 -7.677 -1.003 -7.374 454 1HN NH2 68 H1 NH2 68 -8.413 3.647 -8.415 455 2HN NH2 68 H2 NH2 68 -9.578 4.151 -9.629 Start of MODEL 41 1 1H VAL 1 HT1 VAL 1 7.978 12.391 5.143 2 2H VAL 1 HT2 VAL 1 7.332 11.847 6.624 3 3H VAL 1 HT3 VAL 1 6.399 12.836 5.607 4 HA VAL 1 HA VAL 1 6.125 11.211 4.040 5 HB VAL 1 HB VAL 1 7.169 8.926 4.250 6 1HG1 VAL 1 HG11 VAL 1 9.325 9.558 3.293 7 2HG1 VAL 1 HG12 VAL 1 9.201 11.226 3.975 8 3HG1 VAL 1 HG13 VAL 1 8.051 10.679 2.702 9 1HG2 VAL 1 HG21 VAL 1 9.180 8.638 5.713 10 2HG2 VAL 1 HG22 VAL 1 7.697 8.912 6.687 11 3HG2 VAL 1 HG23 VAL 1 8.892 10.244 6.461 12 H ARG 2 HN ARG 2 4.952 9.004 4.286 13 HA ARG 2 HA ARG 2 3.687 8.825 6.953 14 1HB ARG 2 HB2 ARG 2 1.662 7.911 5.822 15 2HB ARG 2 HB1 ARG 2 2.023 9.570 5.251 16 1HG ARG 2 HG2 ARG 2 3.462 7.839 3.495 17 2HG ARG 2 HG1 ARG 2 1.886 7.039 3.702 18 1HD ARG 2 HD2 ARG 2 2.220 10.037 2.936 19 2HD ARG 2 HD1 ARG 2 2.234 8.705 1.728 20 HE ARG 2 HE ARG 2 -0.061 8.196 2.174 21 1HH1 ARG 2 HH11 ARG 2 1.029 11.106 3.969 22 2HH1 ARG 2 HH12 ARG 2 -0.578 11.687 4.237 23 1HH2 ARG 2 HH21 ARG 2 -2.192 8.999 2.573 24 2HH2 ARG 2 HH22 ARG 2 -2.422 10.497 3.406 25 H ASP 3 HN ASP 3 2.935 6.407 7.340 26 HA ASP 3 HA ASP 3 4.425 4.493 5.793 27 1HB ASP 3 HB2 ASP 3 4.212 4.401 8.900 28 2HB ASP 3 HB1 ASP 3 5.023 3.197 7.830 29 H GLY 4 HN GLY 4 2.695 2.814 5.403 30 1HA GLY 4 HA2 GLY 4 0.675 2.610 7.298 31 2HA GLY 4 HA1 GLY 4 0.122 3.485 5.793 32 H TYR 5 HN TYR 5 -1.134 1.252 5.671 33 HA TYR 5 HA TYR 5 0.467 -0.641 4.137 34 1HB TYR 5 HB2 TYR 5 -2.494 -0.468 4.935 35 2HB TYR 5 HB1 TYR 5 -2.017 -1.415 3.479 36 HD1 TYR 5 HD1 TYR 5 -0.860 -3.484 3.677 37 HD2 TYR 5 HD2 TYR 5 -1.623 -1.151 7.197 38 HE1 TYR 5 HE1 TYR 5 0.025 -5.308 5.049 39 HE2 TYR 5 HE2 TYR 5 -0.788 -2.987 8.599 40 HH TYR 5 HH TYR 5 0.563 -4.887 8.555 41 H ILE 6 HN ILE 6 0.351 -0.581 1.849 42 HA ILE 6 HA ILE 6 -0.552 1.990 0.755 43 HB ILE 6 HB ILE 6 1.808 1.432 0.365 44 1HG1 ILE 6 HG12 ILE 6 0.086 1.605 -2.171 45 2HG1 ILE 6 HG11 ILE 6 0.647 2.945 -1.132 46 1HG2 ILE 6 HG21 ILE 6 2.354 -0.425 -1.306 47 2HG2 ILE 6 HG22 ILE 6 0.689 -1.049 -1.081 48 3HG2 ILE 6 HG23 ILE 6 1.830 -0.958 0.311 49 1HD1 ILE 6 HD11 ILE 6 2.048 2.868 -3.099 50 2HD1 ILE 6 HD12 ILE 6 2.374 1.109 -2.897 51 3HD1 ILE 6 HD13 ILE 6 3.048 2.299 -1.720 52 H ALA 7 HN ALA 7 -1.783 2.023 -1.204 53 HA ALA 7 HA ALA 7 -3.189 -0.123 -2.212 54 1HB ALA 7 HB1 ALA 7 -5.432 1.190 -1.724 55 2HB ALA 7 HB2 ALA 7 -4.527 2.076 -0.451 56 3HB ALA 7 HB3 ALA 7 -4.784 0.296 -0.321 57 H GLN 8 HN GLN 8 -4.703 1.301 -3.808 58 HA GLN 8 HA GLN 8 -3.068 3.465 -4.849 59 1HB GLN 8 HB2 GLN 8 -5.321 1.713 -5.822 60 2HB GLN 8 HB1 GLN 8 -5.492 3.412 -6.342 61 1HG GLN 8 HG2 GLN 8 -4.369 1.983 -8.052 62 2HG GLN 8 HG1 GLN 8 -3.373 3.388 -7.525 63 1HE2 GLN 8 HE22 GLN 8 -3.893 -0.090 -6.376 64 2HE2 GLN 8 HE21 GLN 8 -2.203 -0.407 -6.188 65 HA PRO 9 HA PRO 9 -5.698 6.536 -2.956 66 1HB PRO 9 HB2 PRO 9 -5.792 7.749 -5.774 67 2HB PRO 9 HB1 PRO 9 -5.553 8.602 -4.196 68 1HG PRO 9 HG1 PRO 9 -3.408 8.035 -5.791 69 2HG PRO 9 HG2 PRO 9 -3.294 7.738 -4.008 70 1HD PRO 9 HD1 PRO 9 -3.799 5.686 -6.226 71 2HD PRO 9 HD2 PRO 9 -2.773 5.565 -4.716 72 H GLU 10 HN GLU 10 -9.083 5.474 -3.766 73 HA GLU 10 HA GLU 10 -6.993 5.762 -1.712 74 1HB GLU 10 HB2 GLU 10 -9.878 6.819 -1.915 75 2HB GLU 10 HB1 GLU 10 -9.119 6.561 -0.325 76 1HG GLU 10 HG2 GLU 10 -8.148 8.515 -2.523 77 2HG GLU 10 HG1 GLU 10 -9.032 8.947 -1.013 78 H ASN 11 HN ASN 11 -6.964 3.956 -0.453 79 HA ASN 11 HA ASN 11 -7.593 2.085 0.508 80 1HB ASN 11 HB2 ASN 11 -9.473 3.664 1.208 81 2HB ASN 11 HB1 ASN 11 -10.495 2.891 -0.052 82 1HD2 ASN 11 HD21 ASN 11 -11.627 2.826 2.154 83 2HD2 ASN 11 HD22 ASN 11 -11.509 1.377 3.083 84 H CYS 12 HN CYS 12 -7.475 2.338 -2.538 85 HA CYS 12 HA CYS 12 -8.986 -0.094 -3.294 86 1HB CYS 12 HB2 CYS 12 -7.342 1.847 -4.998 87 2HB CYS 12 HB1 CYS 12 -8.238 0.418 -5.624 88 H VAL 13 HN VAL 13 -7.869 -1.642 -2.111 89 HA VAL 13 HA VAL 13 -5.328 -1.327 -1.404 90 HB VAL 13 HB VAL 13 -5.338 -3.610 -0.522 91 1HG1 VAL 13 HG11 VAL 13 -7.957 -2.024 -0.053 92 2HG1 VAL 13 HG12 VAL 13 -6.359 -1.639 0.667 93 3HG1 VAL 13 HG13 VAL 13 -7.158 -3.194 1.058 94 1HG2 VAL 13 HG21 VAL 13 -6.564 -4.683 -2.448 95 2HG2 VAL 13 HG22 VAL 13 -8.087 -3.853 -1.919 96 3HG2 VAL 13 HG23 VAL 13 -7.260 -5.048 -0.844 97 H TYR 14 HN TYR 14 -3.482 -2.729 -1.502 98 HA TYR 14 HA TYR 14 -2.855 -3.376 -4.265 99 1HB TYR 14 HB2 TYR 14 -1.386 -2.231 -1.939 100 2HB TYR 14 HB1 TYR 14 -0.502 -3.642 -2.527 101 HD1 TYR 14 HD1 TYR 14 -0.617 -3.680 -5.402 102 HD2 TYR 14 HD2 TYR 14 -0.669 -0.269 -2.799 103 HE1 TYR 14 HE1 TYR 14 0.126 -2.234 -7.265 104 HE2 TYR 14 HE2 TYR 14 0.100 1.170 -4.637 105 HH TYR 14 HH TYR 14 -0.099 1.142 -7.081 106 H HIS 15 HN HIS 15 -0.818 -5.413 -3.553 107 HA HIS 15 HA HIS 15 -1.979 -7.177 -1.746 108 1HB HIS 15 HB2 HIS 15 -1.772 -8.012 -4.731 109 2HB HIS 15 HB1 HIS 15 -1.926 -9.150 -3.343 110 HD1 HIS 15 HD1 HIS 15 -3.970 -6.691 -5.354 111 HD2 HIS 15 HD2 HIS 15 -4.480 -9.308 -2.111 112 HE1 HIS 15 HE1 HIS 15 -6.453 -6.839 -4.891 113 HE2 HIS 15 HE2 HIS 15 -6.718 -8.413 -2.924 114 H CYS 16 HN CYS 16 -0.030 -9.133 -2.154 115 HA CYS 16 HA CYS 16 2.385 -7.997 -2.969 116 1HB CYS 16 HB2 CYS 16 2.040 -6.939 -0.624 117 2HB CYS 16 HB1 CYS 16 1.749 -8.564 0.033 118 H PHE 17 HN PHE 17 3.822 -10.072 -2.736 119 HA PHE 17 HA PHE 17 2.077 -12.414 -2.758 120 1HB PHE 17 HB2 PHE 17 4.692 -11.905 -4.331 121 2HB PHE 17 HB1 PHE 17 3.599 -13.326 -4.463 122 HD1 PHE 17 HD1 PHE 17 4.649 -10.923 -6.436 123 HD2 PHE 17 HD2 PHE 17 0.883 -11.993 -4.638 124 HE1 PHE 17 HE1 PHE 17 3.437 -9.755 -8.248 125 HE2 PHE 17 HE2 PHE 17 -0.309 -10.795 -6.429 126 HZ PHE 17 HZ PHE 17 0.962 -9.665 -8.233 127 HA PRO 18 HA PRO 18 4.754 -12.659 0.804 128 1HB PRO 18 HB2 PRO 18 4.089 -15.638 0.382 129 2HB PRO 18 HB1 PRO 18 4.311 -14.797 1.975 130 1HG PRO 18 HG1 PRO 18 1.796 -15.153 0.928 131 2HG PRO 18 HG2 PRO 18 2.236 -13.565 1.682 132 1HD PRO 18 HD1 PRO 18 1.875 -14.194 -1.253 133 2HD PRO 18 HD2 PRO 18 1.771 -12.617 -0.370 134 H GLY 19 HN GLY 19 6.958 -12.725 1.071 135 1HA GLY 19 HA2 GLY 19 9.086 -13.726 0.362 136 2HA GLY 19 HA1 GLY 19 8.365 -13.690 -1.314 137 H SER 20 HN SER 20 6.803 -11.520 -1.269 138 HA SER 20 HA SER 20 6.457 -9.445 -0.958 139 1HB SER 20 HB2 SER 20 9.259 -8.832 0.099 140 2HB SER 20 HB1 SER 20 7.844 -7.718 0.032 141 HG SER 20 HG SER 20 8.288 -10.017 1.586 142 H SER 21 HN SER 21 8.820 -10.900 -2.862 143 HA SER 21 HA SER 21 10.308 -9.150 -3.950 144 1HB SER 21 HB2 SER 21 8.918 -11.272 -5.667 145 2HB SER 21 HB1 SER 21 10.637 -10.720 -5.739 146 HG SER 21 HG SER 21 10.502 -12.660 -4.628 147 H GLY 22 HN GLY 22 6.975 -9.666 -5.204 148 1HA GLY 22 HA2 GLY 22 7.426 -7.937 -7.421 149 2HA GLY 22 HA1 GLY 22 5.856 -8.620 -6.847 150 H CYS 23 HN CYS 23 6.059 -7.508 -4.139 151 HA CYS 23 HA CYS 23 4.915 -4.959 -4.865 152 1HB CYS 23 HB2 CYS 23 3.826 -6.381 -3.075 153 2HB CYS 23 HB1 CYS 23 5.259 -6.080 -2.037 154 H ASP 24 HN ASP 24 7.941 -6.269 -3.582 155 HA ASP 24 HA ASP 24 9.022 -3.969 -2.538 156 1HB ASP 24 HB2 ASP 24 9.977 -6.403 -2.597 157 2HB ASP 24 HB1 ASP 24 10.613 -6.002 -4.224 158 H THR 25 HN THR 25 9.041 -5.104 -6.044 159 HA THR 25 HA THR 25 10.194 -2.747 -6.988 160 HB THR 25 HB THR 25 8.588 -3.554 -9.088 161 HG1 THR 25 HG1 THR 25 7.774 -5.333 -7.754 162 1HG2 THR 25 HG21 THR 25 11.284 -4.737 -8.112 163 2HG2 THR 25 HG22 THR 25 11.072 -3.224 -9.070 164 3HG2 THR 25 HG23 THR 25 10.646 -4.814 -9.799 165 H LEU 26 HN LEU 26 6.678 -3.546 -6.494 166 HA LEU 26 HA LEU 26 5.769 -1.238 -7.785 167 1HB LEU 26 HB2 LEU 26 4.427 -2.795 -5.489 168 2HB LEU 26 HB1 LEU 26 3.617 -1.587 -6.529 169 HG LEU 26 HG LEU 26 4.862 -4.209 -7.556 170 1HD1 LEU 26 HD11 LEU 26 2.902 -4.627 -6.051 171 2HD1 LEU 26 HD12 LEU 26 2.561 -5.056 -7.770 172 3HD1 LEU 26 HD13 LEU 26 1.901 -3.535 -7.072 173 1HD2 LEU 26 HD21 LEU 26 3.535 -3.727 -9.641 174 2HD2 LEU 26 HD22 LEU 26 4.839 -2.532 -9.341 175 3HD2 LEU 26 HD23 LEU 26 3.126 -2.097 -8.976 176 H CYS 27 HN CYS 27 6.480 -1.886 -4.338 177 HA CYS 27 HA CYS 27 5.632 0.548 -3.328 178 1HB CYS 27 HB2 CYS 27 6.344 -1.552 -2.020 179 2HB CYS 27 HB1 CYS 27 8.043 -1.073 -2.309 180 H LYS 28 HN LYS 28 8.838 -0.385 -4.765 181 HA LYS 28 HA LYS 28 10.068 2.044 -4.080 182 1HB LYS 28 HB2 LYS 28 10.721 0.069 -6.332 183 2HB LYS 28 HB1 LYS 28 11.695 1.537 -5.968 184 1HG LYS 28 HG2 LYS 28 12.011 0.738 -3.605 185 2HG LYS 28 HG1 LYS 28 11.244 -0.813 -4.035 186 1HD LYS 28 HD2 LYS 28 13.772 0.393 -5.340 187 2HD LYS 28 HD1 LYS 28 13.773 -0.848 -4.047 188 1HE LYS 28 HE2 LYS 28 12.570 -1.265 -6.879 189 2HE LYS 28 HE1 LYS 28 14.199 -1.820 -6.327 190 1HZ LYS 28 HZ1 LYS 28 13.116 -3.157 -4.646 191 2HZ LYS 28 HZ2 LYS 28 12.585 -3.558 -6.208 192 3HZ LYS 28 HZ3 LYS 28 11.587 -2.646 -5.180 193 H GLU 29 HN GLU 29 8.229 1.062 -7.051 194 HA GLU 29 HA GLU 29 8.915 3.541 -8.298 195 1HB GLU 29 HB2 GLU 29 7.422 2.927 -10.131 196 2HB GLU 29 HB1 GLU 29 8.579 1.620 -9.710 197 1HG GLU 29 HG2 GLU 29 6.728 0.457 -8.448 198 2HG GLU 29 HG1 GLU 29 5.578 1.749 -8.960 199 H LYS 30 HN LYS 30 6.341 2.584 -6.099 200 HA LYS 30 HA LYS 30 4.783 4.956 -6.685 201 1HB LYS 30 HB2 LYS 30 4.653 2.891 -4.422 202 2HB LYS 30 HB1 LYS 30 3.525 4.277 -4.557 203 1HG LYS 30 HG2 LYS 30 3.884 2.125 -6.742 204 2HG LYS 30 HG1 LYS 30 2.653 2.034 -5.445 205 1HD LYS 30 HD2 LYS 30 2.815 4.281 -7.557 206 2HD LYS 30 HD1 LYS 30 1.767 2.827 -7.622 207 1HE LYS 30 HE2 LYS 30 0.662 3.519 -5.443 208 2HE LYS 30 HE1 LYS 30 1.604 5.064 -5.489 209 1HZ LYS 30 HZ1 LYS 30 0.573 5.549 -7.614 210 2HZ LYS 30 HZ2 LYS 30 -0.576 5.329 -6.384 211 3HZ LYS 30 HZ3 LYS 30 -0.325 4.106 -7.537 212 H GLY 31 HN GLY 31 7.614 4.178 -4.856 213 1HA GLY 31 HA2 GLY 31 8.993 5.894 -4.336 214 2HA GLY 31 HA1 GLY 31 7.593 6.962 -3.957 215 H GLY 32 HN GLY 32 7.792 3.600 -2.716 216 1HA GLY 32 HA2 GLY 32 8.287 4.721 -0.029 217 2HA GLY 32 HA1 GLY 32 7.434 3.185 -0.474 218 H THR 33 HN THR 33 10.187 4.007 1.039 219 HA THR 33 HA THR 33 12.007 2.657 -0.798 220 HB THR 33 HB THR 33 13.713 3.769 0.758 221 HG1 THR 33 HG1 THR 33 12.910 5.354 2.053 222 1HG2 THR 33 HG21 THR 33 13.019 4.626 -1.528 223 2HG2 THR 33 HG22 THR 33 13.356 5.979 -0.391 224 3HG2 THR 33 HG23 THR 33 11.656 5.530 -0.780 225 H SER 34 HN SER 34 9.912 1.523 1.419 226 HA SER 34 HA SER 34 11.429 -0.802 1.421 227 1HB SER 34 HB2 SER 34 10.715 0.474 4.163 228 2HB SER 34 HB1 SER 34 11.086 -1.278 3.946 229 HG SER 34 HG SER 34 12.896 0.612 2.922 230 H GLY 35 HN GLY 35 9.641 -2.566 1.879 231 1HA GLY 35 HA2 GLY 35 7.115 -1.802 2.550 232 2HA GLY 35 HA1 GLY 35 7.337 -1.910 0.726 233 H HIS 36 HN HIS 36 5.866 -4.043 2.121 234 HA HIS 36 HA HIS 36 7.372 -6.239 1.463 235 1HB HIS 36 HB2 HIS 36 7.706 -7.311 3.698 236 2HB HIS 36 HB1 HIS 36 8.771 -5.889 3.523 237 HD1 HIS 36 HD1 HIS 36 7.565 -3.585 4.671 238 HD2 HIS 36 HD2 HIS 36 6.460 -7.357 6.128 239 HE1 HIS 36 HE1 HIS 36 6.542 -3.236 6.966 240 HE2 HIS 36 HE2 HIS 36 5.893 -5.538 7.807 241 H CYS 37 HN CYS 37 5.958 -8.184 2.590 242 HA CYS 37 HA CYS 37 3.202 -7.285 2.263 243 1HB CYS 37 HB2 CYS 37 4.068 -10.118 3.036 244 2HB CYS 37 HB1 CYS 37 2.508 -9.571 2.337 245 H GLY 38 HN GLY 38 1.520 -7.882 4.024 246 1HA GLY 38 HA2 GLY 38 2.251 -8.795 6.483 247 2HA GLY 38 HA1 GLY 38 2.068 -6.960 6.444 248 H PHE 39 HN PHE 39 -0.219 -8.345 7.659 249 HA PHE 39 HA PHE 39 -2.142 -7.553 5.799 250 1HB PHE 39 HB2 PHE 39 -1.929 -10.052 5.153 251 2HB PHE 39 HB1 PHE 39 -2.147 -10.483 6.882 252 HD1 PHE 39 HD1 PHE 39 -4.377 -10.180 7.951 253 HD2 PHE 39 HD2 PHE 39 -3.827 -9.312 3.786 254 HE1 PHE 39 HE1 PHE 39 -6.824 -10.255 7.617 255 HE2 PHE 39 HE2 PHE 39 -6.282 -9.440 3.447 256 HZ PHE 39 HZ PHE 39 -7.776 -9.879 5.363 257 H LYS 40 HN LYS 40 -3.880 -6.942 7.193 258 HA LYS 40 HA LYS 40 -4.570 -8.040 9.514 259 1HB LYS 40 HB2 LYS 40 -4.255 -6.056 11.122 260 2HB LYS 40 HB1 LYS 40 -2.821 -7.100 10.865 261 1HG LYS 40 HG2 LYS 40 -1.812 -5.446 9.330 262 2HG LYS 40 HG1 LYS 40 -3.269 -4.404 9.441 263 1HD LYS 40 HD2 LYS 40 -1.484 -3.499 10.858 264 2HD LYS 40 HD1 LYS 40 -2.893 -4.009 11.843 265 1HE LYS 40 HE2 LYS 40 -0.692 -4.592 12.924 266 2HE LYS 40 HE1 LYS 40 -1.686 -6.064 12.588 267 1HZ LYS 40 HZ1 LYS 40 0.576 -5.056 10.942 268 2HZ LYS 40 HZ2 LYS 40 -0.373 -6.429 10.607 269 3HZ LYS 40 HZ3 LYS 40 0.594 -6.380 12.003 270 H VAL 41 HN VAL 41 -5.786 -7.682 7.195 271 HA VAL 41 HA VAL 41 -6.902 -4.974 7.153 272 HB VAL 41 HB VAL 41 -6.694 -6.401 4.523 273 1HG1 VAL 41 HG11 VAL 41 -6.155 -4.110 3.793 274 2HG1 VAL 41 HG12 VAL 41 -5.825 -3.592 5.491 275 3HG1 VAL 41 HG13 VAL 41 -7.510 -3.982 4.984 276 1HG2 VAL 41 HG21 VAL 41 -4.312 -5.811 4.150 277 2HG2 VAL 41 HG22 VAL 41 -4.468 -7.072 5.399 278 3HG2 VAL 41 HG23 VAL 41 -4.115 -5.358 5.880 279 H GLY 42 HN GLY 42 -8.785 -5.422 5.176 280 1HA GLY 42 HA2 GLY 42 -10.259 -7.826 5.737 281 2HA GLY 42 HA1 GLY 42 -10.994 -6.222 6.221 282 H HIS 43 HN HIS 43 -9.153 -7.816 3.495 283 HA HIS 43 HA HIS 43 -10.831 -6.896 1.517 284 1HB HIS 43 HB2 HIS 43 -7.983 -5.655 1.731 285 2HB HIS 43 HB1 HIS 43 -8.989 -5.647 0.236 286 HD1 HIS 43 HD1 HIS 43 -10.488 -3.684 -0.084 287 HD2 HIS 43 HD2 HIS 43 -8.953 -3.852 3.816 288 HE1 HIS 43 HE1 HIS 43 -10.938 -1.435 1.015 289 HE2 HIS 43 HE2 HIS 43 -10.018 -1.586 3.350 290 H GLY 44 HN GLY 44 -8.715 -7.525 -0.447 291 1HA GLY 44 HA2 GLY 44 -8.501 -10.291 0.111 292 2HA GLY 44 HA1 GLY 44 -7.791 -9.370 -1.272 293 H LEU 45 HN LEU 45 -6.088 -7.549 0.001 294 HA LEU 45 HA LEU 45 -4.754 -8.426 2.141 295 1HB LEU 45 HB2 LEU 45 -3.835 -10.208 0.489 296 2HB LEU 45 HB1 LEU 45 -3.108 -8.862 -0.448 297 HG LEU 45 HG LEU 45 -2.234 -8.632 2.324 298 1HD1 LEU 45 HD11 LEU 45 -1.180 -10.843 2.750 299 2HD1 LEU 45 HD12 LEU 45 -1.905 -11.514 1.245 300 3HD1 LEU 45 HD13 LEU 45 -2.967 -11.048 2.619 301 1HD2 LEU 45 HD21 LEU 45 -0.708 -9.781 -0.091 302 2HD2 LEU 45 HD22 LEU 45 0.003 -9.084 1.410 303 3HD2 LEU 45 HD23 LEU 45 -0.899 -8.024 0.264 304 H ALA 46 HN ALA 46 -2.459 -6.682 1.612 305 HA ALA 46 HA ALA 46 -3.101 -4.581 -0.045 306 1HB ALA 46 HB1 ALA 46 -3.196 -2.806 1.773 307 2HB ALA 46 HB2 ALA 46 -3.333 -4.110 3.018 308 3HB ALA 46 HB3 ALA 46 -4.661 -3.845 1.835 309 H CYS 47 HN CYS 47 -0.853 -3.037 0.731 310 HA CYS 47 HA CYS 47 1.045 -5.214 1.509 311 1HB CYS 47 HB2 CYS 47 1.101 -5.007 -0.969 312 2HB CYS 47 HB1 CYS 47 1.295 -3.240 -0.825 313 H TRP 48 HN TRP 48 3.110 -4.155 2.509 314 HA TRP 48 HA TRP 48 2.223 -1.678 3.826 315 1HB TRP 48 HB2 TRP 48 3.065 -3.518 5.302 316 2HB TRP 48 HB1 TRP 48 4.616 -3.510 4.402 317 HD1 TRP 48 HD1 TRP 48 6.351 -1.445 5.088 318 HE1 TRP 48 HE1 TRP 48 6.326 0.308 7.014 319 HE3 TRP 48 HE3 TRP 48 1.554 -2.075 6.647 320 HZ2 TRP 48 HZ2 TRP 48 4.535 1.162 9.012 321 HZ3 TRP 48 HZ3 TRP 48 0.712 -0.742 8.571 322 HH2 TRP 48 HH2 TRP 48 2.188 0.862 9.729 323 H CYS 49 HN CYS 49 3.641 0.274 3.662 324 HA CYS 49 HA CYS 49 6.017 -0.063 2.108 325 1HB CYS 49 HB2 CYS 49 3.786 1.859 1.281 326 2HB CYS 49 HB1 CYS 49 5.510 2.298 1.053 327 H ASN 50 HN ASN 50 7.516 1.566 2.835 328 HA ASN 50 HA ASN 50 6.577 2.976 5.242 329 1HB ASN 50 HB2 ASN 50 8.338 0.775 5.240 330 2HB ASN 50 HB1 ASN 50 9.501 2.122 5.046 331 1HD2 ASN 50 HD22 ASN 50 9.907 3.437 6.960 332 2HD2 ASN 50 HD21 ASN 50 9.133 3.144 8.485 333 H ALA 51 HN ALA 51 7.214 5.138 5.172 334 HA ALA 51 HA ALA 51 8.095 6.965 4.583 335 1HB ALA 51 HB1 ALA 51 10.363 7.185 3.588 336 2HB ALA 51 HB2 ALA 51 10.362 5.416 3.257 337 3HB ALA 51 HB3 ALA 51 10.342 6.009 4.957 338 H LEU 52 HN LEU 52 5.987 6.581 3.258 339 HA LEU 52 HA LEU 52 6.562 6.886 0.395 340 1HB LEU 52 HB2 LEU 52 3.959 6.546 1.967 341 2HB LEU 52 HB1 LEU 52 3.941 7.196 0.297 342 HG LEU 52 HG LEU 52 5.200 4.501 1.035 343 1HD1 LEU 52 HD11 LEU 52 3.048 3.484 0.110 344 2HD1 LEU 52 HD12 LEU 52 2.319 5.124 0.110 345 3HD1 LEU 52 HD13 LEU 52 2.823 4.357 1.669 346 1HD2 LEU 52 HD21 LEU 52 4.122 5.461 -1.703 347 2HD2 LEU 52 HD22 LEU 52 5.074 3.981 -1.344 348 3HD2 LEU 52 HD23 LEU 52 5.834 5.603 -1.206 349 HA PRO 53 HA PRO 53 6.318 11.232 1.530 350 1HB PRO 53 HB2 PRO 53 6.153 12.422 -1.005 351 2HB PRO 53 HB1 PRO 53 7.674 11.670 -0.386 352 1HG PRO 53 HG1 PRO 53 5.575 10.423 -2.235 353 2HG PRO 53 HG2 PRO 53 7.373 10.431 -2.428 354 1HD PRO 53 HD1 PRO 53 5.928 8.297 -1.324 355 2HD PRO 53 HD2 PRO 53 7.604 8.696 -0.770 356 H ASP 54 HN ASP 54 4.702 13.112 1.265 357 HA ASP 54 HA ASP 54 2.115 11.866 1.442 358 1HB ASP 54 HB2 ASP 54 2.921 14.785 1.778 359 2HB ASP 54 HB1 ASP 54 1.369 14.005 2.325 360 H ASN 55 HN ASN 55 3.110 11.830 -1.240 361 HA ASN 55 HA ASN 55 0.983 13.464 -2.486 362 1HB ASN 55 HB2 ASN 55 2.129 13.380 -4.645 363 2HB ASN 55 HB1 ASN 55 3.180 14.172 -3.431 364 1HD2 ASN 55 HD22 ASN 55 2.651 11.021 -5.171 365 2HD2 ASN 55 HD21 ASN 55 4.336 10.572 -5.160 366 H VAL 56 HN VAL 56 1.708 10.530 -1.160 367 HA VAL 56 HA VAL 56 0.483 8.990 -3.334 368 HB VAL 56 HB VAL 56 1.806 7.828 -0.828 369 1HG1 VAL 56 HG11 VAL 56 1.296 6.792 -3.708 370 2HG1 VAL 56 HG12 VAL 56 0.405 6.292 -2.216 371 3HG1 VAL 56 HG13 VAL 56 2.140 5.880 -2.408 372 1HG2 VAL 56 HG21 VAL 56 3.946 7.667 -2.121 373 2HG2 VAL 56 HG22 VAL 56 3.523 9.357 -1.820 374 3HG2 VAL 56 HG23 VAL 56 3.241 8.675 -3.442 375 H GLY 57 HN GLY 57 -1.413 7.586 -2.491 376 1HA GLY 57 HA2 GLY 57 -2.524 8.555 -0.019 377 2HA GLY 57 HA1 GLY 57 -3.468 8.618 -1.594 378 H ILE 58 HN ILE 58 -3.890 6.704 0.702 379 HA ILE 58 HA ILE 58 -2.962 4.143 -0.333 380 HB ILE 58 HB ILE 58 -1.948 3.667 1.896 381 1HG1 ILE 58 HG12 ILE 58 -1.927 6.750 2.220 382 2HG1 ILE 58 HG11 ILE 58 -2.960 5.647 3.184 383 1HG2 ILE 58 HG21 ILE 58 -0.506 5.879 0.335 384 2HG2 ILE 58 HG22 ILE 58 -0.747 4.204 -0.266 385 3HG2 ILE 58 HG23 ILE 58 0.204 4.487 1.243 386 1HD1 ILE 58 HD11 ILE 58 -0.882 4.485 4.044 387 2HD1 ILE 58 HD12 ILE 58 -0.964 6.233 4.483 388 3HD1 ILE 58 HD13 ILE 58 0.133 5.689 3.163 389 H ILE 59 HN ILE 59 -3.566 3.437 2.638 390 HA ILE 59 HA ILE 59 -6.318 2.868 2.196 391 HB ILE 59 HB ILE 59 -4.796 2.551 4.821 392 1HG1 ILE 59 HG12 ILE 59 -3.499 1.456 3.018 393 2HG1 ILE 59 HG11 ILE 59 -4.188 0.322 4.209 394 1HG2 ILE 59 HG21 ILE 59 -7.224 2.214 5.111 395 2HG2 ILE 59 HG22 ILE 59 -6.435 0.609 5.119 396 3HG2 ILE 59 HG23 ILE 59 -7.315 1.165 3.648 397 1HD1 ILE 59 HD11 ILE 59 -5.519 0.822 1.492 398 2HD1 ILE 59 HD12 ILE 59 -5.801 -0.537 2.637 399 3HD1 ILE 59 HD13 ILE 59 -4.235 -0.420 1.754 400 H VAL 60 HN VAL 60 -8.089 3.628 3.391 401 HA VAL 60 HA VAL 60 -8.050 5.681 5.259 402 HB VAL 60 HB VAL 60 -8.432 6.316 2.472 403 1HG1 VAL 60 HG11 VAL 60 -10.623 5.242 2.391 404 2HG1 VAL 60 HG12 VAL 60 -10.773 7.026 2.255 405 3HG1 VAL 60 HG13 VAL 60 -11.210 6.218 3.800 406 1HG2 VAL 60 HG21 VAL 60 -8.978 8.553 3.258 407 2HG2 VAL 60 HG22 VAL 60 -7.633 7.833 4.224 408 3HG2 VAL 60 HG23 VAL 60 -9.299 7.933 4.928 409 H GLU 61 HN GLU 61 -10.622 5.081 6.201 410 HA GLU 61 HA GLU 61 -11.887 3.188 4.742 411 1HB GLU 61 HB2 GLU 61 -10.143 1.585 5.597 412 2HB GLU 61 HB1 GLU 61 -10.663 1.935 7.288 413 1HG GLU 61 HG2 GLU 61 -12.864 0.848 6.787 414 2HG GLU 61 HG1 GLU 61 -12.470 0.809 5.027 415 H GLY 62 HN GLY 62 -13.625 2.386 6.704 416 1HA GLY 62 HA2 GLY 62 -15.387 3.364 7.790 417 2HA GLY 62 HA1 GLY 62 -14.574 4.983 7.664 418 H GLU 63 HN GLU 63 -14.612 2.587 4.943 419 HA GLU 63 HA GLU 63 -16.496 3.679 3.371 420 1HB GLU 63 HB2 GLU 63 -14.680 5.688 3.664 421 2HB GLU 63 HB1 GLU 63 -13.685 4.714 2.572 422 1HG GLU 63 HG2 GLU 63 -15.485 4.823 0.813 423 2HG GLU 63 HG1 GLU 63 -16.580 5.664 1.971 424 H LYS 64 HN LYS 64 -14.406 3.177 1.076 425 HA LYS 64 HA LYS 64 -13.297 0.714 1.585 426 1HB LYS 64 HB2 LYS 64 -16.023 0.373 1.055 427 2HB LYS 64 HB1 LYS 64 -15.387 0.446 -0.607 428 1HG LYS 64 HG2 LYS 64 -15.444 -1.887 0.075 429 2HG LYS 64 HG1 LYS 64 -13.706 -1.419 0.113 430 1HD LYS 64 HD2 LYS 64 -13.931 -1.041 2.632 431 2HD LYS 64 HD1 LYS 64 -15.626 -1.608 2.523 432 1HE LYS 64 HE2 LYS 64 -14.836 -3.860 1.755 433 2HE LYS 64 HE1 LYS 64 -13.121 -3.274 1.764 434 1HZ LYS 64 HZ1 LYS 64 -14.931 -3.456 4.115 435 2HZ LYS 64 HZ2 LYS 64 -13.333 -2.876 4.127 436 3HZ LYS 64 HZ3 LYS 64 -13.641 -4.497 3.734 437 H CYS 65 HN CYS 65 -13.142 0.200 -1.245 438 HA CYS 65 HA CYS 65 -11.227 2.078 -2.018 439 1HB CYS 65 HB2 CYS 65 -11.080 -0.199 -2.850 440 2HB CYS 65 HB1 CYS 65 -12.751 -0.133 -3.467 441 H HIS 66 HN HIS 66 -11.386 4.058 -3.112 442 HA HIS 66 HA HIS 66 -13.672 4.444 -4.787 443 1HB HIS 66 HB2 HIS 66 -14.279 6.654 -3.817 444 2HB HIS 66 HB1 HIS 66 -14.611 5.349 -2.625 445 HD1 HIS 66 HD1 HIS 66 -12.565 5.081 -0.761 446 HD2 HIS 66 HD2 HIS 66 -13.041 8.775 -2.701 447 HE1 HIS 66 HE1 HIS 66 -11.502 6.850 0.707 448 HE2 HIS 66 HE2 HIS 66 -11.817 9.058 -0.485 449 H SER 67 HN SER 67 -13.060 6.533 -6.194 450 HA SER 67 HA SER 67 -10.620 7.652 -5.818 451 1HB SER 67 HB2 SER 67 -9.888 5.242 -6.792 452 2HB SER 67 HB1 SER 67 -10.710 5.788 -8.299 453 HG SER 67 HG SER 67 -8.387 6.613 -6.997 454 1HN NH2 68 H1 NH2 68 -10.562 8.612 -8.444 455 2HN NH2 68 H2 NH2 68 -12.144 9.198 -8.903 Start of MODEL 42 1 1H VAL 1 HT1 VAL 1 7.283 12.475 6.513 2 2H VAL 1 HT2 VAL 1 5.887 12.978 5.691 3 3H VAL 1 HT3 VAL 1 7.388 12.988 4.891 4 HA VAL 1 HA VAL 1 6.023 11.172 4.215 5 HB VAL 1 HB VAL 1 7.639 9.262 4.714 6 1HG1 VAL 1 HG11 VAL 1 8.861 11.956 3.821 7 2HG1 VAL 1 HG12 VAL 1 7.979 10.767 2.795 8 3HG1 VAL 1 HG13 VAL 1 9.558 10.321 3.522 9 1HG2 VAL 1 HG21 VAL 1 9.096 11.391 6.444 10 2HG2 VAL 1 HG22 VAL 1 9.688 9.745 6.036 11 3HG2 VAL 1 HG23 VAL 1 8.238 9.934 7.077 12 H ARG 2 HN ARG 2 5.314 8.824 4.826 13 HA ARG 2 HA ARG 2 4.805 8.533 7.670 14 1HB ARG 2 HB2 ARG 2 2.528 7.821 7.513 15 2HB ARG 2 HB1 ARG 2 2.634 9.456 6.818 16 1HG ARG 2 HG2 ARG 2 2.441 6.845 5.148 17 2HG ARG 2 HG1 ARG 2 1.085 7.859 5.711 18 1HD ARG 2 HD2 ARG 2 2.360 9.841 4.409 19 2HD ARG 2 HD1 ARG 2 3.152 8.477 3.537 20 HE ARG 2 HE ARG 2 1.068 8.026 2.449 21 1HH1 ARG 2 HH11 ARG 2 0.508 10.183 5.257 22 2HH1 ARG 2 HH12 ARG 2 -1.117 10.561 4.793 23 1HH2 ARG 2 HH21 ARG 2 -1.080 8.522 1.883 24 2HH2 ARG 2 HH22 ARG 2 -2.031 9.615 2.836 25 H ASP 3 HN ASP 3 3.599 6.004 7.667 26 HA ASP 3 HA ASP 3 5.115 4.361 5.849 27 1HB ASP 3 HB2 ASP 3 4.759 3.738 8.875 28 2HB ASP 3 HB1 ASP 3 5.661 2.758 7.660 29 H GLY 4 HN GLY 4 3.522 2.508 5.391 30 1HA GLY 4 HA2 GLY 4 1.230 2.431 7.030 31 2HA GLY 4 HA1 GLY 4 0.935 3.239 5.422 32 H TYR 5 HN TYR 5 -0.443 0.952 5.806 33 HA TYR 5 HA TYR 5 0.873 -1.051 4.166 34 1HB TYR 5 HB2 TYR 5 -2.023 -0.593 5.123 35 2HB TYR 5 HB1 TYR 5 -1.611 -1.805 3.858 36 HD1 TYR 5 HD1 TYR 5 -0.268 -3.785 4.439 37 HD2 TYR 5 HD2 TYR 5 -1.585 -1.003 7.449 38 HE1 TYR 5 HE1 TYR 5 -0.110 -5.546 6.142 39 HE2 TYR 5 HE2 TYR 5 -1.399 -2.769 9.163 40 HH TYR 5 HH TYR 5 -1.318 -6.045 8.289 41 H ILE 6 HN ILE 6 0.723 -0.750 1.837 42 HA ILE 6 HA ILE 6 -0.163 1.961 1.198 43 HB ILE 6 HB ILE 6 2.137 1.562 0.600 44 1HG1 ILE 6 HG12 ILE 6 0.232 1.980 -1.793 45 2HG1 ILE 6 HG11 ILE 6 0.802 3.229 -0.638 46 1HG2 ILE 6 HG21 ILE 6 2.711 -0.006 -1.264 47 2HG2 ILE 6 HG22 ILE 6 1.006 -0.582 -1.295 48 3HG2 ILE 6 HG23 ILE 6 2.049 -0.842 0.164 49 1HD1 ILE 6 HD11 ILE 6 2.075 3.397 -2.735 50 2HD1 ILE 6 HD12 ILE 6 2.513 1.657 -2.688 51 3HD1 ILE 6 HD13 ILE 6 3.195 2.791 -1.459 52 H ALA 7 HN ALA 7 -1.689 2.355 -0.038 53 HA ALA 7 HA ALA 7 -3.533 0.279 -0.877 54 1HB ALA 7 HB1 ALA 7 -4.471 2.173 0.497 55 2HB ALA 7 HB2 ALA 7 -5.217 2.118 -1.109 56 3HB ALA 7 HB3 ALA 7 -3.926 3.337 -0.771 57 H GLN 8 HN GLN 8 -4.702 2.492 -2.741 58 HA GLN 8 HA GLN 8 -2.882 2.805 -4.817 59 1HB GLN 8 HB2 GLN 8 -5.642 1.465 -5.346 60 2HB GLN 8 HB1 GLN 8 -4.377 1.822 -6.564 61 1HG GLN 8 HG2 GLN 8 -2.977 -0.020 -5.659 62 2HG GLN 8 HG1 GLN 8 -4.147 -0.287 -4.317 63 1HE2 GLN 8 HE22 GLN 8 -5.673 -1.888 -4.676 64 2HE2 GLN 8 HE21 GLN 8 -6.238 -2.394 -6.254 65 HA PRO 9 HA PRO 9 -6.330 5.894 -4.509 66 1HB PRO 9 HB2 PRO 9 -6.296 5.836 -7.589 67 2HB PRO 9 HB1 PRO 9 -6.325 7.292 -6.519 68 1HG PRO 9 HG1 PRO 9 -3.999 6.551 -7.758 69 2HG PRO 9 HG2 PRO 9 -3.956 7.037 -6.013 70 1HD PRO 9 HD1 PRO 9 -4.051 4.182 -7.163 71 2HD PRO 9 HD2 PRO 9 -2.961 4.867 -5.865 72 H GLU 10 HN GLU 10 -9.340 4.061 -5.482 73 HA GLU 10 HA GLU 10 -8.579 6.826 -5.196 74 1HB GLU 10 HB2 GLU 10 -11.107 5.137 -4.864 75 2HB GLU 10 HB1 GLU 10 -11.118 6.820 -4.325 76 1HG GLU 10 HG2 GLU 10 -10.449 5.864 -7.195 77 2HG GLU 10 HG1 GLU 10 -12.005 6.599 -6.671 78 H ASN 11 HN ASN 11 -9.650 4.082 -3.069 79 HA ASN 11 HA ASN 11 -7.752 4.782 -1.187 80 1HB ASN 11 HB2 ASN 11 -9.762 5.861 0.020 81 2HB ASN 11 HB1 ASN 11 -10.763 4.433 -0.437 82 1HD2 ASN 11 HD22 ASN 11 -10.985 2.995 1.326 83 2HD2 ASN 11 HD21 ASN 11 -9.861 2.956 2.682 84 H CYS 12 HN CYS 12 -7.404 2.502 -0.420 85 HA CYS 12 HA CYS 12 -8.947 0.426 -1.354 86 1HB CYS 12 HB2 CYS 12 -7.334 1.643 -3.483 87 2HB CYS 12 HB1 CYS 12 -6.682 0.042 -3.227 88 H VAL 13 HN VAL 13 -6.816 -1.480 -1.933 89 HA VAL 13 HA VAL 13 -4.821 -1.030 0.041 90 HB VAL 13 HB VAL 13 -4.713 -3.649 0.150 91 1HG1 VAL 13 HG11 VAL 13 -5.055 -2.376 2.190 92 2HG1 VAL 13 HG12 VAL 13 -6.215 -3.735 2.180 93 3HG1 VAL 13 HG13 VAL 13 -6.782 -2.061 1.784 94 1HG2 VAL 13 HG21 VAL 13 -7.735 -3.331 -0.448 95 2HG2 VAL 13 HG22 VAL 13 -6.864 -4.839 0.021 96 3HG2 VAL 13 HG23 VAL 13 -6.502 -4.065 -1.554 97 H TYR 14 HN TYR 14 -2.866 -2.175 -1.026 98 HA TYR 14 HA TYR 14 -3.340 -2.407 -3.870 99 1HB TYR 14 HB2 TYR 14 -0.967 -1.768 -2.401 100 2HB TYR 14 HB1 TYR 14 -0.642 -3.332 -3.094 101 HD1 TYR 14 HD1 TYR 14 0.210 -0.242 -3.844 102 HD2 TYR 14 HD2 TYR 14 -2.111 -3.371 -5.696 103 HE1 TYR 14 HE1 TYR 14 0.626 0.740 -6.055 104 HE2 TYR 14 HE2 TYR 14 -1.705 -2.391 -7.883 105 HH TYR 14 HH TYR 14 -0.860 -0.625 -9.032 106 H HIS 15 HN HIS 15 -1.378 -4.835 -3.911 107 HA HIS 15 HA HIS 15 -2.690 -6.678 -2.227 108 1HB HIS 15 HB2 HIS 15 -2.704 -7.112 -5.291 109 2HB HIS 15 HB1 HIS 15 -2.657 -8.473 -4.114 110 HD1 HIS 15 HD1 HIS 15 -5.012 -5.689 -5.194 111 HD2 HIS 15 HD2 HIS 15 -4.979 -9.049 -2.677 112 HE1 HIS 15 HE1 HIS 15 -7.378 -6.031 -4.347 113 HE2 HIS 15 HE2 HIS 15 -7.307 -8.055 -2.837 114 H CYS 16 HN CYS 16 -0.941 -8.772 -2.891 115 HA CYS 16 HA CYS 16 1.612 -7.525 -3.156 116 1HB CYS 16 HB2 CYS 16 1.248 -7.416 -0.658 117 2HB CYS 16 HB1 CYS 16 0.587 -9.077 -0.672 118 H PHE 17 HN PHE 17 3.030 -9.508 -3.451 119 HA PHE 17 HA PHE 17 1.590 -11.848 -4.415 120 1HB PHE 17 HB2 PHE 17 4.325 -10.600 -5.297 121 2HB PHE 17 HB1 PHE 17 3.654 -12.169 -5.870 122 HD1 PHE 17 HD1 PHE 17 1.972 -12.206 -7.556 123 HD2 PHE 17 HD2 PHE 17 3.208 -8.429 -5.920 124 HE1 PHE 17 HE1 PHE 17 0.748 -11.019 -9.361 125 HE2 PHE 17 HE2 PHE 17 2.017 -7.249 -7.737 126 HZ PHE 17 HZ PHE 17 0.775 -8.538 -9.453 127 HA PRO 18 HA PRO 18 3.953 -12.139 -0.558 128 1HB PRO 18 HB2 PRO 18 3.001 -15.057 -0.731 129 2HB PRO 18 HB1 PRO 18 3.140 -14.026 0.751 130 1HG PRO 18 HG1 PRO 18 0.709 -14.311 -0.456 131 2HG PRO 18 HG2 PRO 18 1.252 -12.646 0.017 132 1HD PRO 18 HD1 PRO 18 1.317 -13.944 -2.750 133 2HD PRO 18 HD2 PRO 18 0.875 -12.248 -2.273 134 H GLY 19 HN GLY 19 5.567 -12.299 -2.804 135 1HA GLY 19 HA2 GLY 19 7.660 -14.110 -1.754 136 2HA GLY 19 HA1 GLY 19 7.411 -13.808 -3.529 137 H SER 20 HN SER 20 6.444 -11.286 -1.478 138 HA SER 20 HA SER 20 7.108 -9.375 -0.840 139 1HB SER 20 HB2 SER 20 10.014 -10.309 -1.089 140 2HB SER 20 HB1 SER 20 9.405 -8.903 -0.133 141 HG SER 20 HG SER 20 9.712 -10.937 1.036 142 H SER 21 HN SER 21 9.201 -10.372 -3.562 143 HA SER 21 HA SER 21 10.028 -8.007 -4.412 144 1HB SER 21 HB2 SER 21 9.315 -10.371 -6.239 145 2HB SER 21 HB1 SER 21 10.553 -9.091 -6.567 146 HG SER 21 HG SER 21 11.419 -11.030 -5.681 147 H GLY 22 HN GLY 22 6.847 -9.366 -5.423 148 1HA GLY 22 HA2 GLY 22 6.565 -7.389 -7.449 149 2HA GLY 22 HA1 GLY 22 5.293 -8.447 -6.748 150 H CYS 23 HN CYS 23 5.831 -7.476 -3.992 151 HA CYS 23 HA CYS 23 4.099 -5.149 -4.042 152 1HB CYS 23 HB2 CYS 23 3.566 -6.668 -2.290 153 2HB CYS 23 HB1 CYS 23 5.280 -6.990 -1.919 154 H ASP 24 HN ASP 24 7.450 -6.084 -3.054 155 HA ASP 24 HA ASP 24 8.254 -3.559 -2.331 156 1HB ASP 24 HB2 ASP 24 9.556 -5.713 -1.943 157 2HB ASP 24 HB1 ASP 24 10.063 -5.661 -3.670 158 H THR 25 HN THR 25 8.316 -5.056 -5.651 159 HA THR 25 HA THR 25 9.507 -2.917 -6.928 160 HB THR 25 HB THR 25 7.224 -4.599 -8.018 161 HG1 THR 25 HG1 THR 25 8.920 -5.915 -7.234 162 1HG2 THR 25 HG21 THR 25 7.850 -2.633 -9.498 163 2HG2 THR 25 HG22 THR 25 8.369 -4.174 -10.246 164 3HG2 THR 25 HG23 THR 25 9.577 -3.126 -9.418 165 H LEU 26 HN LEU 26 5.947 -3.343 -6.236 166 HA LEU 26 HA LEU 26 5.166 -0.976 -7.526 167 1HB LEU 26 HB2 LEU 26 3.846 -2.527 -5.234 168 2HB LEU 26 HB1 LEU 26 3.078 -1.147 -6.062 169 HG LEU 26 HG LEU 26 4.034 -3.613 -7.615 170 1HD1 LEU 26 HD11 LEU 26 2.454 -4.432 -5.944 171 2HD1 LEU 26 HD12 LEU 26 1.651 -4.401 -7.559 172 3HD1 LEU 26 HD13 LEU 26 1.275 -3.127 -6.332 173 1HD2 LEU 26 HD21 LEU 26 2.329 -2.780 -9.300 174 2HD2 LEU 26 HD22 LEU 26 3.689 -1.631 -9.035 175 3HD2 LEU 26 HD23 LEU 26 2.085 -1.311 -8.284 176 H CYS 27 HN CYS 27 5.998 -1.771 -4.148 177 HA CYS 27 HA CYS 27 5.513 0.706 -3.018 178 1HB CYS 27 HB2 CYS 27 6.077 -1.467 -1.796 179 2HB CYS 27 HB1 CYS 27 7.787 -1.235 -2.275 180 H LYS 28 HN LYS 28 8.512 -0.533 -4.642 181 HA LYS 28 HA LYS 28 10.022 1.756 -4.005 182 1HB LYS 28 HB2 LYS 28 10.347 -0.305 -6.258 183 2HB LYS 28 HB1 LYS 28 11.540 1.007 -5.960 184 1HG LYS 28 HG2 LYS 28 10.800 -1.101 -3.843 185 2HG LYS 28 HG1 LYS 28 12.139 -1.282 -5.017 186 1HD LYS 28 HD2 LYS 28 13.220 0.780 -4.089 187 2HD LYS 28 HD1 LYS 28 11.872 0.951 -2.905 188 1HE LYS 28 HE2 LYS 28 12.447 -1.266 -1.885 189 2HE LYS 28 HE1 LYS 28 13.770 -1.491 -3.099 190 1HZ LYS 28 HZ1 LYS 28 14.793 0.527 -2.218 191 2HZ LYS 28 HZ2 LYS 28 14.646 -0.707 -1.062 192 3HZ LYS 28 HZ3 LYS 28 13.597 0.623 -1.016 193 H GLU 29 HN GLU 29 8.075 0.911 -6.958 194 HA GLU 29 HA GLU 29 8.944 3.261 -8.282 195 1HB GLU 29 HB2 GLU 29 7.259 2.837 -10.002 196 2HB GLU 29 HB1 GLU 29 8.190 1.359 -9.596 197 1HG GLU 29 HG2 GLU 29 6.274 0.644 -8.096 198 2HG GLU 29 HG1 GLU 29 5.307 2.035 -8.691 199 H LYS 30 HN LYS 30 6.199 2.642 -6.075 200 HA LYS 30 HA LYS 30 5.021 5.202 -6.654 201 1HB LYS 30 HB2 LYS 30 4.603 3.269 -4.302 202 2HB LYS 30 HB1 LYS 30 3.669 4.786 -4.545 203 1HG LYS 30 HG2 LYS 30 3.699 2.405 -6.492 204 2HG LYS 30 HG1 LYS 30 2.428 2.760 -5.276 205 1HD LYS 30 HD2 LYS 30 2.008 4.985 -6.426 206 2HD LYS 30 HD1 LYS 30 3.184 4.511 -7.704 207 1HE LYS 30 HE2 LYS 30 0.570 3.007 -7.009 208 2HE LYS 30 HE1 LYS 30 0.839 4.082 -8.439 209 1HZ LYS 30 HZ1 LYS 30 2.321 1.575 -7.841 210 2HZ LYS 30 HZ2 LYS 30 2.529 2.568 -9.205 211 3HZ LYS 30 HZ3 LYS 30 1.058 1.750 -8.959 212 H GLY 31 HN GLY 31 7.347 3.907 -4.254 213 1HA GLY 31 HA2 GLY 31 9.186 5.337 -4.105 214 2HA GLY 31 HA1 GLY 31 8.092 6.747 -3.849 215 H GLY 32 HN GLY 32 7.909 3.439 -2.348 216 1HA GLY 32 HA2 GLY 32 8.599 4.663 0.236 217 2HA GLY 32 HA1 GLY 32 7.845 3.051 -0.104 218 H THR 33 HN THR 33 10.541 3.988 1.268 219 HA THR 33 HA THR 33 12.478 3.024 -0.669 220 HB THR 33 HB THR 33 14.062 3.918 1.175 221 HG1 THR 33 HG1 THR 33 12.575 3.887 2.881 222 1HG2 THR 33 HG21 THR 33 11.943 5.818 -0.074 223 2HG2 THR 33 HG22 THR 33 13.428 5.209 -0.898 224 3HG2 THR 33 HG23 THR 33 13.570 6.291 0.533 225 H SER 34 HN SER 34 10.474 1.543 1.603 226 HA SER 34 HA SER 34 11.982 -0.769 1.460 227 1HB SER 34 HB2 SER 34 11.617 0.576 4.243 228 2HB SER 34 HB1 SER 34 11.937 -1.190 4.035 229 HG SER 34 HG SER 34 13.619 0.591 2.699 230 H GLY 35 HN GLY 35 10.231 -2.429 2.694 231 1HA GLY 35 HA2 GLY 35 7.718 -1.359 2.965 232 2HA GLY 35 HA1 GLY 35 7.986 -2.131 1.316 233 H HIS 36 HN HIS 36 6.377 -3.774 2.551 234 HA HIS 36 HA HIS 36 7.838 -5.914 3.531 235 1HB HIS 36 HB2 HIS 36 5.838 -4.501 5.453 236 2HB HIS 36 HB1 HIS 36 6.483 -6.155 5.683 237 HD1 HIS 36 HD1 HIS 36 8.479 -6.284 7.167 238 HD2 HIS 36 HD2 HIS 36 8.000 -2.388 5.672 239 HE1 HIS 36 HE1 HIS 36 10.176 -4.806 8.329 240 HE2 HIS 36 HE2 HIS 36 9.849 -2.472 7.391 241 H CYS 37 HN CYS 37 5.326 -7.289 4.186 242 HA CYS 37 HA CYS 37 3.459 -6.476 2.166 243 1HB CYS 37 HB2 CYS 37 4.977 -8.071 0.918 244 2HB CYS 37 HB1 CYS 37 5.067 -9.129 2.354 245 H GLY 38 HN GLY 38 1.336 -7.492 3.132 246 1HA GLY 38 HA2 GLY 38 1.503 -9.117 5.312 247 2HA GLY 38 HA1 GLY 38 1.446 -7.367 5.850 248 H PHE 39 HN PHE 39 -0.866 -8.364 6.539 249 HA PHE 39 HA PHE 39 -2.714 -8.023 4.303 250 1HB PHE 39 HB2 PHE 39 -2.392 -10.435 5.568 251 2HB PHE 39 HB1 PHE 39 -3.302 -9.637 6.887 252 HD1 PHE 39 HD1 PHE 39 -5.671 -9.161 6.581 253 HD2 PHE 39 HD2 PHE 39 -3.394 -10.937 3.418 254 HE1 PHE 39 HE1 PHE 39 -7.771 -9.795 5.438 255 HE2 PHE 39 HE2 PHE 39 -5.479 -11.586 2.271 256 HZ PHE 39 HZ PHE 39 -7.684 -11.041 3.288 257 H LYS 40 HN LYS 40 -4.354 -6.421 4.952 258 HA LYS 40 HA LYS 40 -3.529 -4.963 7.352 259 1HB LYS 40 HB2 LYS 40 -3.722 -3.704 5.202 260 2HB LYS 40 HB1 LYS 40 -5.469 -4.108 5.121 261 1HG LYS 40 HG2 LYS 40 -4.374 -2.700 7.612 262 2HG LYS 40 HG1 LYS 40 -4.494 -1.768 6.091 263 1HD LYS 40 HD2 LYS 40 -6.941 -2.322 5.924 264 2HD LYS 40 HD1 LYS 40 -6.841 -3.149 7.515 265 1HE LYS 40 HE2 LYS 40 -6.121 -1.008 8.615 266 2HE LYS 40 HE1 LYS 40 -6.211 -0.163 7.016 267 1HZ LYS 40 HZ1 LYS 40 -8.176 0.238 8.208 268 2HZ LYS 40 HZ2 LYS 40 -8.435 -1.407 8.542 269 3HZ LYS 40 HZ3 LYS 40 -8.578 -0.828 6.951 270 H VAL 41 HN VAL 41 -5.839 -6.870 6.072 271 HA VAL 41 HA VAL 41 -7.753 -7.797 6.551 272 HB VAL 41 HB VAL 41 -7.833 -6.534 9.277 273 1HG1 VAL 41 HG11 VAL 41 -9.115 -8.671 9.848 274 2HG1 VAL 41 HG12 VAL 41 -8.914 -9.244 8.157 275 3HG1 VAL 41 HG13 VAL 41 -9.957 -7.826 8.522 276 1HG2 VAL 41 HG21 VAL 41 -6.709 -8.558 10.208 277 2HG2 VAL 41 HG22 VAL 41 -5.607 -7.673 9.118 278 3HG2 VAL 41 HG23 VAL 41 -6.416 -9.186 8.550 279 H GLY 42 HN GLY 42 -10.148 -6.450 7.675 280 1HA GLY 42 HA2 GLY 42 -11.498 -4.732 7.368 281 2HA GLY 42 HA1 GLY 42 -10.077 -3.717 6.917 282 H HIS 43 HN HIS 43 -9.118 -4.380 4.791 283 HA HIS 43 HA HIS 43 -11.222 -4.594 2.725 284 1HB HIS 43 HB2 HIS 43 -8.344 -3.516 2.577 285 2HB HIS 43 HB1 HIS 43 -9.435 -3.711 1.156 286 HD1 HIS 43 HD1 HIS 43 -8.752 -1.139 0.950 287 HD2 HIS 43 HD2 HIS 43 -11.341 -2.026 4.135 288 HE1 HIS 43 HE1 HIS 43 -9.843 1.017 1.633 289 HE2 HIS 43 HE2 HIS 43 -11.382 0.458 3.587 290 H GLY 44 HN GLY 44 -7.704 -5.596 3.489 291 1HA GLY 44 HA2 GLY 44 -8.094 -8.213 3.233 292 2HA GLY 44 HA1 GLY 44 -7.998 -7.635 1.521 293 H LEU 45 HN LEU 45 -6.128 -8.307 0.822 294 HA LEU 45 HA LEU 45 -3.704 -8.403 2.350 295 1HB LEU 45 HB2 LEU 45 -4.407 -10.221 0.680 296 2HB LEU 45 HB1 LEU 45 -4.445 -8.976 -0.604 297 HG LEU 45 HG LEU 45 -1.938 -8.669 -0.307 298 1HD1 LEU 45 HD11 LEU 45 -1.624 -9.641 1.997 299 2HD1 LEU 45 HD12 LEU 45 -0.614 -10.473 0.769 300 3HD1 LEU 45 HD13 LEU 45 -2.111 -11.263 1.364 301 1HD2 LEU 45 HD21 LEU 45 -2.970 -11.466 -1.106 302 2HD2 LEU 45 HD22 LEU 45 -1.390 -10.755 -1.580 303 3HD2 LEU 45 HD23 LEU 45 -2.927 -10.003 -2.158 304 H ALA 46 HN ALA 46 -1.799 -6.904 1.678 305 HA ALA 46 HA ALA 46 -2.625 -4.734 -0.032 306 1HB ALA 46 HB1 ALA 46 -2.223 -3.042 1.811 307 2HB ALA 46 HB2 ALA 46 -1.963 -4.402 2.983 308 3HB ALA 46 HB3 ALA 46 -3.583 -4.130 2.264 309 H CYS 47 HN CYS 47 -0.441 -3.083 0.432 310 HA CYS 47 HA CYS 47 1.818 -5.004 0.526 311 1HB CYS 47 HB2 CYS 47 1.547 -4.375 -1.836 312 2HB CYS 47 HB1 CYS 47 1.325 -2.667 -1.402 313 H TRP 48 HN TRP 48 3.781 -3.497 1.539 314 HA TRP 48 HA TRP 48 2.525 -1.377 3.126 315 1HB TRP 48 HB2 TRP 48 2.541 -3.211 4.731 316 2HB TRP 48 HB1 TRP 48 4.129 -3.777 4.136 317 HD1 TRP 48 HD1 TRP 48 6.282 -1.996 4.697 318 HE1 TRP 48 HE1 TRP 48 6.712 -0.487 6.675 319 HE3 TRP 48 HE3 TRP 48 1.618 -2.199 6.716 320 HZ2 TRP 48 HZ2 TRP 48 5.203 0.464 8.957 321 HZ3 TRP 48 HZ3 TRP 48 1.150 -0.964 8.810 322 HH2 TRP 48 HH2 TRP 48 2.916 0.364 9.909 323 H CYS 49 HN CYS 49 4.102 0.297 3.662 324 HA CYS 49 HA CYS 49 6.602 0.124 2.206 325 1HB CYS 49 HB2 CYS 49 4.452 2.247 1.754 326 2HB CYS 49 HB1 CYS 49 6.187 2.536 1.398 327 H ASN 50 HN ASN 50 8.150 1.571 3.109 328 HA ASN 50 HA ASN 50 7.248 3.046 5.498 329 1HB ASN 50 HB2 ASN 50 9.855 1.509 4.951 330 2HB ASN 50 HB1 ASN 50 9.906 2.990 5.963 331 1HD2 ASN 50 HD22 ASN 50 9.632 2.716 8.139 332 2HD2 ASN 50 HD21 ASN 50 8.882 1.348 8.888 333 H ALA 51 HN ALA 51 7.784 5.162 5.438 334 HA ALA 51 HA ALA 51 8.307 7.097 4.785 335 1HB ALA 51 HB1 ALA 51 10.690 6.496 5.029 336 2HB ALA 51 HB2 ALA 51 10.431 7.688 3.701 337 3HB ALA 51 HB3 ALA 51 10.710 5.958 3.307 338 H LEU 52 HN LEU 52 6.230 6.776 3.645 339 HA LEU 52 HA LEU 52 6.603 7.055 0.728 340 1HB LEU 52 HB2 LEU 52 4.068 6.708 2.443 341 2HB LEU 52 HB1 LEU 52 4.008 7.239 0.735 342 HG LEU 52 HG LEU 52 5.199 4.585 1.700 343 1HD1 LEU 52 HD11 LEU 52 2.762 4.616 2.074 344 2HD1 LEU 52 HD12 LEU 52 3.126 3.568 0.657 345 3HD1 LEU 52 HD13 LEU 52 2.468 5.225 0.397 346 1HD2 LEU 52 HD21 LEU 52 4.528 5.496 -1.182 347 2HD2 LEU 52 HD22 LEU 52 5.230 3.920 -0.693 348 3HD2 LEU 52 HD23 LEU 52 6.177 5.422 -0.487 349 HA PRO 53 HA PRO 53 5.842 11.379 1.897 350 1HB PRO 53 HB2 PRO 53 5.324 12.384 -0.738 351 2HB PRO 53 HB1 PRO 53 6.941 12.288 0.049 352 1HG PRO 53 HG1 PRO 53 5.900 10.629 -2.181 353 2HG PRO 53 HG2 PRO 53 7.580 10.769 -1.533 354 1HD PRO 53 HD1 PRO 53 5.526 8.677 -0.985 355 2HD PRO 53 HD2 PRO 53 7.286 8.685 -0.551 356 H ASP 54 HN ASP 54 4.018 12.891 1.703 357 HA ASP 54 HA ASP 54 1.879 11.662 2.687 358 1HB ASP 54 HB2 ASP 54 1.984 14.468 1.423 359 2HB ASP 54 HB1 ASP 54 0.730 13.902 2.589 360 H ASN 55 HN ASN 55 2.155 12.705 -0.780 361 HA ASN 55 HA ASN 55 -0.695 12.419 -1.077 362 1HB ASN 55 HB2 ASN 55 -0.371 13.034 -3.439 363 2HB ASN 55 HB1 ASN 55 0.387 14.221 -2.331 364 1HD2 ASN 55 HD22 ASN 55 0.952 12.602 -5.223 365 2HD2 ASN 55 HD21 ASN 55 2.683 12.480 -5.171 366 H VAL 56 HN VAL 56 1.807 10.165 -0.865 367 HA VAL 56 HA VAL 56 0.688 8.442 -2.942 368 HB VAL 56 HB VAL 56 2.950 7.792 -1.010 369 1HG1 VAL 56 HG11 VAL 56 2.049 6.703 -3.775 370 2HG1 VAL 56 HG12 VAL 56 1.877 5.861 -2.183 371 3HG1 VAL 56 HG13 VAL 56 3.511 6.180 -2.869 372 1HG2 VAL 56 HG21 VAL 56 3.632 9.860 -2.114 373 2HG2 VAL 56 HG22 VAL 56 3.001 9.306 -3.707 374 3HG2 VAL 56 HG23 VAL 56 4.445 8.510 -2.975 375 H GLY 57 HN GLY 57 -1.288 7.767 -2.221 376 1HA GLY 57 HA2 GLY 57 -1.774 7.918 0.561 377 2HA GLY 57 HA1 GLY 57 -2.958 7.567 -0.768 378 H ILE 58 HN ILE 58 -3.477 6.194 1.561 379 HA ILE 58 HA ILE 58 -2.398 3.595 1.235 380 HB ILE 58 HB ILE 58 -1.642 3.509 3.629 381 1HG1 ILE 58 HG12 ILE 58 -1.830 6.579 3.569 382 2HG1 ILE 58 HG11 ILE 58 -2.914 5.483 4.491 383 1HG2 ILE 58 HG21 ILE 58 0.590 4.312 3.219 384 2HG2 ILE 58 HG22 ILE 58 0.016 5.661 2.170 385 3HG2 ILE 58 HG23 ILE 58 -0.051 3.972 1.579 386 1HD1 ILE 58 HD11 ILE 58 0.140 5.702 4.864 387 2HD1 ILE 58 HD12 ILE 58 -0.958 4.570 5.744 388 3HD1 ILE 58 HD13 ILE 58 -1.135 6.358 5.959 389 H ILE 59 HN ILE 59 -3.403 2.470 3.458 390 HA ILE 59 HA ILE 59 -6.017 2.451 2.641 391 HB ILE 59 HB ILE 59 -5.353 1.203 5.314 392 1HG1 ILE 59 HG12 ILE 59 -3.285 0.751 4.252 393 2HG1 ILE 59 HG11 ILE 59 -4.302 -0.720 4.303 394 1HG2 ILE 59 HG21 ILE 59 -7.591 0.918 4.356 395 2HG2 ILE 59 HG22 ILE 59 -6.708 -0.650 4.261 396 3HG2 ILE 59 HG23 ILE 59 -6.915 0.369 2.782 397 1HD1 ILE 59 HD11 ILE 59 -3.299 -0.826 2.162 398 2HD1 ILE 59 HD12 ILE 59 -3.501 0.922 1.861 399 3HD1 ILE 59 HD13 ILE 59 -4.946 -0.149 1.837 400 H VAL 60 HN VAL 60 -7.347 4.125 2.993 401 HA VAL 60 HA VAL 60 -7.721 5.135 5.724 402 HB VAL 60 HB VAL 60 -8.778 5.923 2.940 403 1HG1 VAL 60 HG11 VAL 60 -9.461 7.168 5.675 404 2HG1 VAL 60 HG12 VAL 60 -10.601 6.419 4.481 405 3HG1 VAL 60 HG13 VAL 60 -9.762 7.942 4.067 406 1HG2 VAL 60 HG21 VAL 60 -6.822 7.282 4.916 407 2HG2 VAL 60 HG22 VAL 60 -7.423 8.009 3.384 408 3HG2 VAL 60 HG23 VAL 60 -6.403 6.538 3.330 409 H GLU 61 HN GLU 61 -10.458 5.000 6.185 410 HA GLU 61 HA GLU 61 -11.653 2.937 4.758 411 1HB GLU 61 HB2 GLU 61 -10.274 1.540 6.351 412 2HB GLU 61 HB1 GLU 61 -11.039 2.398 7.744 413 1HG GLU 61 HG2 GLU 61 -13.260 1.406 7.103 414 2HG GLU 61 HG1 GLU 61 -12.530 0.722 5.598 415 H GLY 62 HN GLY 62 -13.982 2.991 5.868 416 1HA GLY 62 HA2 GLY 62 -15.459 4.565 6.945 417 2HA GLY 62 HA1 GLY 62 -14.397 5.879 6.270 418 H GLU 63 HN GLU 63 -13.652 4.359 3.964 419 HA GLU 63 HA GLU 63 -16.106 4.453 2.369 420 1HB GLU 63 HB2 GLU 63 -14.133 6.016 1.823 421 2HB GLU 63 HB1 GLU 63 -13.202 4.584 1.340 422 1HG GLU 63 HG2 GLU 63 -15.025 4.087 -0.418 423 2HG GLU 63 HG1 GLU 63 -15.902 5.556 0.151 424 H LYS 64 HN LYS 64 -13.361 2.746 0.930 425 HA LYS 64 HA LYS 64 -13.723 0.225 1.822 426 1HB LYS 64 HB2 LYS 64 -16.127 0.669 0.697 427 2HB LYS 64 HB1 LYS 64 -15.233 0.642 -0.843 428 1HG LYS 64 HG2 LYS 64 -14.349 -1.730 -0.003 429 2HG LYS 64 HG1 LYS 64 -15.586 -1.588 1.276 430 1HD LYS 64 HD2 LYS 64 -16.067 -1.526 -1.784 431 2HD LYS 64 HD1 LYS 64 -16.311 -2.950 -0.721 432 1HE LYS 64 HE2 LYS 64 -17.907 -0.289 -0.541 433 2HE LYS 64 HE1 LYS 64 -18.472 -1.826 -1.298 434 1HZ LYS 64 HZ1 LYS 64 -19.298 -1.521 0.930 435 2HZ LYS 64 HZ2 LYS 64 -17.722 -1.493 1.561 436 3HZ LYS 64 HZ3 LYS 64 -18.317 -2.900 0.821 437 H CYS 65 HN CYS 65 -13.406 -0.555 -1.115 438 HA CYS 65 HA CYS 65 -10.957 0.878 -1.769 439 1HB CYS 65 HB2 CYS 65 -10.371 -1.377 -0.872 440 2HB CYS 65 HB1 CYS 65 -11.623 -2.133 -1.873 441 H HIS 66 HN HIS 66 -11.244 1.846 -3.840 442 HA HIS 66 HA HIS 66 -12.664 0.324 -5.751 443 1HB HIS 66 HB2 HIS 66 -14.205 2.053 -6.548 444 2HB HIS 66 HB1 HIS 66 -14.634 1.619 -4.855 445 HD1 HIS 66 HD1 HIS 66 -13.687 4.438 -7.013 446 HD2 HIS 66 HD2 HIS 66 -14.173 3.689 -2.913 447 HE1 HIS 66 HE1 HIS 66 -13.863 6.683 -5.854 448 HE2 HIS 66 HE2 HIS 66 -14.230 6.185 -3.397 449 H SER 67 HN SER 67 -11.930 1.244 -7.974 450 HA SER 67 HA SER 67 -10.074 3.233 -8.063 451 1HB SER 67 HB2 SER 67 -8.688 1.323 -6.773 452 2HB SER 67 HB1 SER 67 -8.916 0.340 -8.263 453 HG SER 67 HG SER 67 -7.386 2.584 -7.691 454 1HN NH2 68 H1 NH2 68 -9.007 2.171 -10.433 455 2HN NH2 68 H2 NH2 68 -10.310 1.670 -11.494
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