![]() |
NMR Restraints Grid |
![]() |
Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
![]() |
8789 |
1mvg ![]() ![]() |
5512 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ALA 1 1H ALA 1 3.681 -16.088 -2.644 2 2H ALA 1 2H ALA 1 3.427 -14.780 -1.674 3 3H ALA 1 3H ALA 1 3.798 -14.565 -3.268 4 HA ALA 1 HA ALA 1 5.548 -15.692 -1.211 5 1HB ALA 1 1HB ALA 1 7.282 -15.755 -2.966 6 2HB ALA 1 2HB ALA 1 5.908 -16.803 -3.361 7 3HB ALA 1 3HB ALA 1 6.087 -15.234 -4.173 8 H PHE 2 H PHE 2 4.750 -13.600 -0.162 9 HA PHE 2 HA PHE 2 6.399 -11.266 -1.067 10 1HB PHE 2 1HB PHE 2 3.564 -11.364 0.017 11 2HB PHE 2 2HB PHE 2 4.530 -9.901 -0.130 12 HD1 PHE 2 HD1 PHE 2 2.444 -12.290 -1.938 13 HD2 PHE 2 HD2 PHE 2 5.400 -9.188 -2.406 14 HE1 PHE 2 HE1 PHE 2 1.997 -12.225 -4.369 15 HE2 PHE 2 HE2 PHE 2 4.920 -9.099 -4.839 16 HZ PHE 2 HZ PHE 2 3.240 -10.621 -5.832 17 H SER 3 H SER 3 5.983 -13.496 1.425 18 HA SER 3 HA SER 3 6.306 -12.068 3.786 19 1HB SER 3 1HB SER 3 7.620 -14.136 4.520 20 2HB SER 3 2HB SER 3 5.989 -14.411 3.903 21 HG SER 3 HG SER 3 8.329 -14.575 2.311 22 H GLY 4 H GLY 4 7.890 -10.884 4.690 23 1HA GLY 4 1HA GLY 4 10.595 -11.107 4.680 24 2HA GLY 4 2HA GLY 4 10.280 -10.222 3.167 25 H THR 5 H THR 5 11.631 -8.669 4.568 26 HA THR 5 HA THR 5 9.770 -6.762 5.895 27 HB THR 5 HB THR 5 12.714 -7.163 6.552 28 HG1 THR 5 HG1 THR 5 11.447 -8.880 7.297 29 1HG2 THR 5 1HG2 THR 5 10.545 -5.523 7.946 30 2HG2 THR 5 2HG2 THR 5 12.231 -5.705 8.467 31 3HG2 THR 5 3HG2 THR 5 11.862 -4.836 6.973 32 H TRP 6 H TRP 6 10.113 -4.593 5.310 33 HA TRP 6 HA TRP 6 11.913 -3.998 3.051 34 1HB TRP 6 1HB TRP 6 8.880 -3.709 2.999 35 2HB TRP 6 2HB TRP 6 9.978 -2.989 1.824 36 HD1 TRP 6 HD1 TRP 6 8.555 -6.357 2.901 37 HE1 TRP 6 HE1 TRP 6 8.955 -8.111 1.039 38 HE3 TRP 6 HE3 TRP 6 11.432 -3.560 -0.252 39 HZ2 TRP 6 HZ2 TRP 6 10.421 -8.286 -1.408 40 HZ3 TRP 6 HZ3 TRP 6 12.494 -4.600 -2.228 41 HH2 TRP 6 HH2 TRP 6 12.002 -6.956 -2.824 42 H GLN 7 H GLN 7 12.146 -1.732 2.696 43 HA GLN 7 HA GLN 7 11.162 0.055 4.820 44 1HB GLN 7 1HB GLN 7 13.349 -0.773 5.577 45 2HB GLN 7 2HB GLN 7 14.089 -0.356 4.022 46 1HG GLN 7 1HG GLN 7 14.545 1.295 5.868 47 2HG GLN 7 2HG GLN 7 13.789 2.008 4.437 48 1HE2 GLN 7 1HE2 GLN 7 12.903 0.541 7.630 49 2HE2 GLN 7 2HE2 GLN 7 11.524 1.589 7.899 50 H VAL 8 H VAL 8 10.571 1.945 4.039 51 HA VAL 8 HA VAL 8 10.289 2.314 1.230 52 HB VAL 8 HB VAL 8 9.818 4.188 3.569 53 1HG1 VAL 8 1HG1 VAL 8 8.981 4.475 0.647 54 2HG1 VAL 8 2HG1 VAL 8 8.374 5.469 1.986 55 3HG1 VAL 8 3HG1 VAL 8 10.076 5.553 1.541 56 1HG2 VAL 8 1HG2 VAL 8 8.390 2.160 3.583 57 2HG2 VAL 8 2HG2 VAL 8 7.427 3.582 3.164 58 3HG2 VAL 8 3HG2 VAL 8 7.933 2.460 1.893 59 H TYR 9 H TYR 9 11.353 3.515 -0.205 60 HA TYR 9 HA TYR 9 14.023 4.599 0.529 61 1HB TYR 9 1HB TYR 9 14.103 2.746 -0.988 62 2HB TYR 9 2HB TYR 9 12.823 3.414 -1.991 63 HD1 TYR 9 HD1 TYR 9 16.180 4.550 -0.669 64 HD2 TYR 9 HD2 TYR 9 13.492 4.314 -4.035 65 HE1 TYR 9 HE1 TYR 9 17.884 5.627 -2.115 66 HE2 TYR 9 HE2 TYR 9 15.194 5.379 -5.472 67 HH TYR 9 HH TYR 9 17.322 6.259 -5.594 68 H ALA 10 H ALA 10 11.267 5.203 -1.728 69 HA ALA 10 HA ALA 10 11.531 8.117 -1.369 70 1HB ALA 10 1HB ALA 10 11.862 8.464 -3.822 71 2HB ALA 10 2HB ALA 10 13.235 7.643 -3.063 72 3HB ALA 10 3HB ALA 10 12.069 6.707 -4.012 73 H GLN 11 H GLN 11 9.906 9.232 -2.922 74 HA GLN 11 HA GLN 11 7.384 7.723 -3.167 75 1HB GLN 11 1HB GLN 11 6.225 9.137 -1.614 76 2HB GLN 11 2HB GLN 11 7.573 8.356 -0.819 77 1HG GLN 11 1HG GLN 11 7.971 10.378 0.044 78 2HG GLN 11 2HG GLN 11 8.803 10.709 -1.468 79 1HE2 GLN 11 1HE2 GLN 11 7.542 11.955 -3.145 80 2HE2 GLN 11 2HE2 GLN 11 6.264 13.028 -2.610 81 H GLU 12 H GLU 12 5.904 8.643 -4.592 82 HA GLU 12 HA GLU 12 6.530 11.260 -5.822 83 1HB GLU 12 1HB GLU 12 6.122 8.648 -7.327 84 2HB GLU 12 2HB GLU 12 6.177 10.261 -8.054 85 1HG GLU 12 1HG GLU 12 8.510 10.541 -7.233 86 2HG GLU 12 2HG GLU 12 8.457 8.913 -6.529 87 HE2 GLU 12 HE2 GLU 12 8.512 9.247 -10.580 88 H ASN 13 H ASN 13 4.752 12.430 -5.737 89 HA ASN 13 HA ASN 13 2.662 13.163 -5.499 90 1HB ASN 13 1HB ASN 13 1.740 10.599 -6.818 91 2HB ASN 13 2HB ASN 13 0.791 12.066 -6.610 92 1HD2 ASN 13 1HD2 ASN 13 0.882 11.027 -9.044 93 2HD2 ASN 13 2HD2 ASN 13 1.866 12.010 -10.114 94 H TYR 14 H TYR 14 3.836 10.803 -3.620 95 HA TYR 14 HA TYR 14 1.605 9.574 -2.402 96 1HB TYR 14 1HB TYR 14 3.889 8.760 -2.196 97 2HB TYR 14 2HB TYR 14 4.371 10.281 -1.438 98 HD1 TYR 14 HD1 TYR 14 5.033 9.882 0.768 99 HD2 TYR 14 HD2 TYR 14 1.584 7.807 -0.783 100 HE1 TYR 14 HE1 TYR 14 4.621 8.913 2.996 101 HE2 TYR 14 HE2 TYR 14 1.143 6.873 1.466 102 HH TYR 14 HH TYR 14 1.813 6.792 3.662 103 H GLU 15 H GLU 15 3.469 12.521 -1.534 104 HA GLU 15 HA GLU 15 1.915 13.145 0.745 105 1HB GLU 15 1HB GLU 15 3.213 15.121 0.870 106 2HB GLU 15 2HB GLU 15 4.227 13.847 0.223 107 1HG GLU 15 1HG GLU 15 4.845 15.459 -1.230 108 2HG GLU 15 2HG GLU 15 3.420 14.953 -2.131 109 HE2 GLU 15 HE2 GLU 15 3.666 18.583 -0.404 110 H GLU 16 H GLU 16 1.470 13.898 -2.694 111 HA GLU 16 HA GLU 16 -0.581 15.877 -2.335 112 1HB GLU 16 1HB GLU 16 -0.010 14.043 -4.708 113 2HB GLU 16 2HB GLU 16 -1.054 15.460 -4.737 114 1HG GLU 16 1HG GLU 16 1.952 15.482 -4.177 115 2HG GLU 16 2HG GLU 16 1.182 15.878 -5.713 116 HE2 GLU 16 HE2 GLU 16 1.938 18.987 -3.909 117 H PHE 17 H PHE 17 -0.581 12.339 -2.860 118 HA PHE 17 HA PHE 17 -3.394 11.913 -2.827 119 1HB PHE 17 1HB PHE 17 -2.170 10.086 -3.513 120 2HB PHE 17 2HB PHE 17 -0.924 10.307 -2.304 121 HD1 PHE 17 HD1 PHE 17 -0.724 8.613 -0.736 122 HD2 PHE 17 HD2 PHE 17 -4.637 9.653 -2.203 123 HE1 PHE 17 HE1 PHE 17 -1.736 6.939 0.782 124 HE2 PHE 17 HE2 PHE 17 -5.653 8.024 -0.622 125 HZ PHE 17 HZ PHE 17 -4.204 6.651 0.851 126 H LEU 18 H LEU 18 -1.032 11.789 -0.097 127 HA LEU 18 HA LEU 18 -3.016 11.277 1.852 128 1HB LEU 18 1HB LEU 18 -0.356 12.717 2.156 129 2HB LEU 18 2HB LEU 18 -1.377 12.156 3.493 130 HG LEU 18 HG LEU 18 -0.087 10.297 1.466 131 1HD1 LEU 18 1HD1 LEU 18 1.318 9.723 3.498 132 2HD1 LEU 18 2HD1 LEU 18 1.598 11.353 2.860 133 3HD1 LEU 18 3HD1 LEU 18 0.611 11.118 4.319 134 1HD2 LEU 18 1HD2 LEU 18 -2.146 9.316 2.379 135 2HD2 LEU 18 2HD2 LEU 18 -0.731 8.548 3.110 136 3HD2 LEU 18 3HD2 LEU 18 -1.653 9.761 4.026 137 H LYS 19 H LYS 19 -1.859 14.487 0.621 138 HA LYS 19 HA LYS 19 -3.595 15.809 2.501 139 1HB LYS 19 1HB LYS 19 -2.853 17.796 1.767 140 2HB LYS 19 2HB LYS 19 -1.443 16.749 1.512 141 1HG LYS 19 1HG LYS 19 -2.139 16.582 -0.907 142 2HG LYS 19 2HG LYS 19 -3.372 17.813 -0.596 143 1HD LYS 19 1HD LYS 19 -0.353 18.122 -0.275 144 2HD LYS 19 2HD LYS 19 -1.364 18.829 -1.548 145 1HE LYS 19 1HE LYS 19 -2.614 20.126 0.222 146 2HE LYS 19 2HE LYS 19 -1.480 19.489 1.433 147 1HZ LYS 19 1HZ LYS 19 0.296 20.519 0.235 148 2HZ LYS 19 2HZ LYS 19 -0.773 21.190 -0.828 149 3HZ LYS 19 3HZ LYS 19 -0.821 21.604 0.770 150 H ALA 20 H ALA 20 -4.104 14.443 -0.691 151 HA ALA 20 HA ALA 20 -6.615 15.798 -1.193 152 1HB ALA 20 1HB ALA 20 -6.956 14.059 -2.859 153 2HB ALA 20 2HB ALA 20 -5.307 14.701 -2.976 154 3HB ALA 20 3HB ALA 20 -5.596 13.119 -2.223 155 H LEU 21 H LEU 21 -5.545 12.933 0.647 156 HA LEU 21 HA LEU 21 -8.200 12.007 1.337 157 1HB LEU 21 1HB LEU 21 -6.141 10.615 1.148 158 2HB LEU 21 2HB LEU 21 -5.434 11.500 2.489 159 HG LEU 21 HG LEU 21 -7.123 10.592 4.035 160 1HD1 LEU 21 1HD1 LEU 21 -8.054 9.131 1.535 161 2HD1 LEU 21 2HD1 LEU 21 -8.416 8.560 3.174 162 3HD1 LEU 21 3HD1 LEU 21 -9.041 10.131 2.632 163 1HD2 LEU 21 1HD2 LEU 21 -5.575 8.599 2.324 164 2HD2 LEU 21 2HD2 LEU 21 -4.926 9.542 3.679 165 3HD2 LEU 21 3HD2 LEU 21 -6.159 8.305 3.972 166 H ALA 22 H ALA 22 -8.917 12.056 3.643 167 HA ALA 22 HA ALA 22 -9.292 14.598 4.660 168 1HB ALA 22 1HB ALA 22 -10.032 13.433 6.742 169 2HB ALA 22 2HB ALA 22 -10.700 12.721 5.261 170 3HB ALA 22 3HB ALA 22 -9.352 11.923 6.098 171 H LEU 23 H LEU 23 -6.666 12.359 5.446 172 HA LEU 23 HA LEU 23 -5.470 13.387 7.622 173 1HB LEU 23 1HB LEU 23 -4.851 11.587 5.593 174 2HB LEU 23 2HB LEU 23 -3.548 12.740 5.433 175 HG LEU 23 HG LEU 23 -4.435 11.467 8.042 176 1HD1 LEU 23 1HD1 LEU 23 -3.698 9.694 6.502 177 2HD1 LEU 23 2HD1 LEU 23 -2.173 10.560 6.224 178 3HD1 LEU 23 3HD1 LEU 23 -2.545 9.908 7.833 179 1HD2 LEU 23 1HD2 LEU 23 -1.608 12.428 7.574 180 2HD2 LEU 23 2HD2 LEU 23 -2.852 13.658 7.808 181 3HD2 LEU 23 3HD2 LEU 23 -2.579 12.436 9.058 182 HA PRO 24 HA PRO 24 -4.955 17.576 6.061 183 1HB PRO 24 1HB PRO 24 -4.422 18.926 8.344 184 2HB PRO 24 2HB PRO 24 -6.001 18.123 8.087 185 1HG PRO 24 1HG PRO 24 -3.602 17.024 9.582 186 2HG PRO 24 2HG PRO 24 -5.286 17.135 10.169 187 1HD PRO 24 1HD PRO 24 -4.289 14.856 9.036 188 2HD PRO 24 2HD PRO 24 -5.972 15.361 8.792 189 H GLU 25 H GLU 25 -3.274 19.021 5.526 190 HA GLU 25 HA GLU 25 -0.971 17.784 4.861 191 1HB GLU 25 1HB GLU 25 -0.204 19.876 4.015 192 2HB GLU 25 2HB GLU 25 -1.939 19.663 3.741 193 1HG GLU 25 1HG GLU 25 -2.413 21.168 5.671 194 2HG GLU 25 2HG GLU 25 -0.670 21.458 5.846 195 HE2 GLU 25 HE2 GLU 25 -2.109 24.170 3.838 196 H ASP 26 H ASP 26 -1.467 19.662 7.767 197 HA ASP 26 HA ASP 26 1.185 19.911 8.713 198 1HB ASP 26 1HB ASP 26 -0.704 20.992 9.834 199 2HB ASP 26 2HB ASP 26 -1.441 19.423 10.185 200 HD2 ASP 26 HD2 ASP 26 1.823 20.559 12.330 201 H LEU 27 H LEU 27 -1.098 17.144 9.034 202 HA LEU 27 HA LEU 27 0.912 15.567 10.470 203 1HB LEU 27 1HB LEU 27 -1.852 14.877 9.456 204 2HB LEU 27 2HB LEU 27 -0.833 13.826 10.450 205 HG LEU 27 HG LEU 27 -2.020 16.514 11.276 206 1HD1 LEU 27 1HD1 LEU 27 -2.528 13.684 12.289 207 2HD1 LEU 27 2HD1 LEU 27 -3.332 15.169 12.841 208 3HD1 LEU 27 3HD1 LEU 27 -3.602 14.576 11.196 209 1HD2 LEU 27 1HD2 LEU 27 -1.151 15.898 13.554 210 2HD2 LEU 27 2HD2 LEU 27 -0.185 14.616 12.790 211 3HD2 LEU 27 3HD2 LEU 27 0.117 16.330 12.405 212 H ILE 28 H ILE 28 -0.258 15.818 7.096 213 HA ILE 28 HA ILE 28 1.056 13.355 6.336 214 HB ILE 28 HB ILE 28 0.579 13.705 4.180 215 1HG1 ILE 28 1HG1 ILE 28 -0.359 16.127 3.465 216 2HG1 ILE 28 2HG1 ILE 28 0.890 16.628 4.617 217 1HG2 ILE 28 1HG2 ILE 28 -1.737 14.327 4.053 218 2HG2 ILE 28 2HG2 ILE 28 -1.412 13.490 5.582 219 3HG2 ILE 28 3HG2 ILE 28 -1.629 15.253 5.536 220 1HD1 ILE 28 1HD1 ILE 28 1.671 16.472 2.257 221 2HD1 ILE 28 2HD1 ILE 28 2.571 15.380 3.332 222 3HD1 ILE 28 3HD1 ILE 28 1.296 14.739 2.284 223 H LYS 29 H LYS 29 2.169 16.690 6.742 224 HA LYS 29 HA LYS 29 4.585 16.594 5.340 225 1HB LYS 29 1HB LYS 29 3.625 18.583 6.295 226 2HB LYS 29 2HB LYS 29 3.848 17.992 7.932 227 1HG LYS 29 1HG LYS 29 6.230 18.271 6.085 228 2HG LYS 29 2HG LYS 29 5.511 19.722 6.753 229 1HD LYS 29 1HD LYS 29 6.666 17.429 8.404 230 2HD LYS 29 2HD LYS 29 7.444 18.965 8.059 231 1HE LYS 29 1HE LYS 29 4.925 18.561 9.743 232 2HE LYS 29 2HE LYS 29 6.546 18.962 10.305 233 1HZ LYS 29 1HZ LYS 29 5.203 20.889 10.210 234 2HZ LYS 29 2HZ LYS 29 6.405 21.018 9.089 235 3HZ LYS 29 3HZ LYS 29 4.863 20.666 8.614 236 H MET 30 H MET 30 3.708 14.990 8.380 237 HA MET 30 HA MET 30 6.353 14.238 9.195 238 1HB MET 30 1HB MET 30 3.700 12.789 9.614 239 2HB MET 30 2HB MET 30 5.213 12.475 10.461 240 1HG MET 30 1HG MET 30 5.164 14.697 11.476 241 2HG MET 30 2HG MET 30 3.726 15.129 10.545 242 1HE MET 30 1HE MET 30 5.178 13.091 13.508 243 2HE MET 30 2HE MET 30 3.763 12.214 14.124 244 3HE MET 30 3HE MET 30 4.506 11.722 12.588 245 H ALA 31 H ALA 31 3.819 12.276 7.557 246 HA ALA 31 HA ALA 31 5.379 10.071 6.921 247 1HB ALA 31 1HB ALA 31 3.576 9.495 5.359 248 2HB ALA 31 2HB ALA 31 2.916 10.146 6.872 249 3HB ALA 31 3HB ALA 31 2.970 11.166 5.418 250 H ARG 32 H ARG 32 4.869 13.009 5.042 251 HA ARG 32 HA ARG 32 5.801 12.513 2.538 252 1HB ARG 32 1HB ARG 32 4.897 14.618 3.449 253 2HB ARG 32 2HB ARG 32 6.426 14.923 4.287 254 1HG ARG 32 1HG ARG 32 7.583 14.968 2.043 255 2HG ARG 32 2HG ARG 32 5.995 14.828 1.275 256 1HD ARG 32 1HD ARG 32 7.022 17.054 3.075 257 2HD ARG 32 2HD ARG 32 6.655 17.168 1.342 258 HE ARG 32 HE ARG 32 4.285 16.363 2.617 259 1HH1 ARG 32 1HH1 ARG 32 6.400 19.201 2.551 260 2HH1 ARG 32 2HH1 ARG 32 5.185 20.289 3.176 261 1HH2 ARG 32 1HH2 ARG 32 2.711 17.781 3.520 262 2HH2 ARG 32 2HH2 ARG 32 3.070 19.476 3.709 263 H ASP 33 H ASP 33 7.874 13.269 5.391 264 HA ASP 33 HA ASP 33 10.253 12.288 3.869 265 1HB ASP 33 1HB ASP 33 10.142 14.794 4.099 266 2HB ASP 33 2HB ASP 33 10.165 14.588 5.857 267 HD2 ASP 33 HD2 ASP 33 13.603 15.075 5.444 268 H ILE 34 H ILE 34 8.589 10.627 5.446 269 HA ILE 34 HA ILE 34 10.635 9.743 7.408 270 HB ILE 34 HB ILE 34 7.642 9.947 7.863 271 1HG1 ILE 34 1HG1 ILE 34 10.079 10.744 9.544 272 2HG1 ILE 34 2HG1 ILE 34 9.129 11.852 8.557 273 1HG2 ILE 34 1HG2 ILE 34 9.621 8.236 9.432 274 2HG2 ILE 34 2HG2 ILE 34 7.928 8.549 9.873 275 3HG2 ILE 34 3HG2 ILE 34 8.285 7.627 8.429 276 1HD1 ILE 34 1HD1 ILE 34 7.094 11.161 9.949 277 2HD1 ILE 34 2HD1 ILE 34 8.252 10.423 11.076 278 3HD1 ILE 34 3HD1 ILE 34 8.331 12.159 10.745 279 H LYS 35 H LYS 35 11.113 7.646 7.229 280 HA LYS 35 HA LYS 35 9.883 6.127 4.987 281 1HB LYS 35 1HB LYS 35 12.716 6.230 6.071 282 2HB LYS 35 2HB LYS 35 12.109 5.011 4.955 283 1HG LYS 35 1HG LYS 35 13.217 6.529 3.627 284 2HG LYS 35 2HG LYS 35 11.499 6.790 3.315 285 1HD LYS 35 1HD LYS 35 11.544 8.856 4.643 286 2HD LYS 35 2HD LYS 35 13.198 8.500 5.195 287 1HE LYS 35 1HE LYS 35 13.987 8.685 2.842 288 2HE LYS 35 2HE LYS 35 12.328 9.023 2.313 289 1HZ LYS 35 1HZ LYS 35 13.588 11.018 2.581 290 2HZ LYS 35 2HZ LYS 35 12.381 10.998 3.696 291 3HZ LYS 35 3HZ LYS 35 13.924 10.668 4.153 292 HA PRO 36 HA PRO 36 8.957 3.807 8.841 293 1HB PRO 36 1HB PRO 36 6.515 2.813 8.219 294 2HB PRO 36 2HB PRO 36 6.784 4.554 8.564 295 1HG PRO 36 1HG PRO 36 6.670 3.202 5.844 296 2HG PRO 36 2HG PRO 36 5.726 4.622 6.394 297 1HD PRO 36 1HD PRO 36 8.038 4.909 5.000 298 2HD PRO 36 2HD PRO 36 7.628 6.016 6.342 299 H ILE 37 H ILE 37 8.691 1.589 9.443 300 HA ILE 37 HA ILE 37 9.941 -0.355 7.655 301 HB ILE 37 HB ILE 37 8.834 -0.422 10.470 302 1HG1 ILE 37 1HG1 ILE 37 11.095 0.664 9.964 303 2HG1 ILE 37 2HG1 ILE 37 11.050 -0.562 11.229 304 1HG2 ILE 37 1HG2 ILE 37 9.773 -2.736 10.682 305 2HG2 ILE 37 2HG2 ILE 37 8.334 -2.626 9.670 306 3HG2 ILE 37 3HG2 ILE 37 9.928 -2.789 8.910 307 1HD1 ILE 37 1HD1 ILE 37 11.915 -1.209 8.378 308 2HD1 ILE 37 2HD1 ILE 37 13.024 -0.733 9.678 309 3HD1 ILE 37 3HD1 ILE 37 12.080 -2.219 9.826 310 H VAL 38 H VAL 38 8.984 -2.002 6.645 311 HA VAL 38 HA VAL 38 6.044 -2.451 6.844 312 HB VAL 38 HB VAL 38 7.807 -2.262 4.377 313 1HG1 VAL 38 1HG1 VAL 38 6.298 -4.132 4.017 314 2HG1 VAL 38 2HG1 VAL 38 4.919 -3.208 4.653 315 3HG1 VAL 38 3HG1 VAL 38 5.667 -2.758 3.108 316 1HG2 VAL 38 1HG2 VAL 38 6.220 -0.498 3.665 317 2HG2 VAL 38 2HG2 VAL 38 5.365 -0.647 5.217 318 3HG2 VAL 38 3HG2 VAL 38 7.045 -0.063 5.164 319 H GLU 39 H GLU 39 5.494 -4.657 6.763 320 HA GLU 39 HA GLU 39 7.551 -6.685 6.311 321 1HB GLU 39 1HB GLU 39 7.946 -5.875 8.652 322 2HB GLU 39 2HB GLU 39 6.281 -6.335 9.060 323 1HG GLU 39 1HG GLU 39 6.812 -8.701 8.576 324 2HG GLU 39 2HG GLU 39 8.426 -8.233 8.004 325 HE2 GLU 39 HE2 GLU 39 9.294 -9.291 11.230 326 H ILE 40 H ILE 40 6.677 -8.719 5.875 327 HA ILE 40 HA ILE 40 3.705 -8.895 5.779 328 HB ILE 40 HB ILE 40 5.744 -9.665 3.659 329 1HG1 ILE 40 1HG1 ILE 40 4.014 -7.936 2.435 330 2HG1 ILE 40 2HG1 ILE 40 4.001 -7.264 4.069 331 1HG2 ILE 40 1HG2 ILE 40 3.893 -11.260 3.645 332 2HG2 ILE 40 2HG2 ILE 40 2.715 -9.926 3.687 333 3HG2 ILE 40 3HG2 ILE 40 3.749 -10.175 2.266 334 1HD1 ILE 40 1HD1 ILE 40 6.438 -7.766 2.313 335 2HD1 ILE 40 2HD1 ILE 40 5.684 -6.195 2.648 336 3HD1 ILE 40 3HD1 ILE 40 6.500 -7.078 3.950 337 H GLN 41 H GLN 41 2.800 -10.823 6.169 338 HA GLN 41 HA GLN 41 4.486 -13.194 6.851 339 1HB GLN 41 1HB GLN 41 3.426 -12.197 8.839 340 2HB GLN 41 2HB GLN 41 1.841 -12.272 8.054 341 1HG GLN 41 1HG GLN 41 2.063 -14.777 7.925 342 2HG GLN 41 2HG GLN 41 3.608 -14.656 8.774 343 1HE2 GLN 41 1HE2 GLN 41 3.532 -13.580 10.986 344 2HE2 GLN 41 2HE2 GLN 41 2.102 -13.845 11.960 345 H GLN 42 H GLN 42 4.325 -14.456 5.075 346 HA GLN 42 HA GLN 42 1.817 -14.774 3.558 347 1HB GLN 42 1HB GLN 42 4.019 -14.530 2.361 348 2HB GLN 42 2HB GLN 42 4.555 -16.019 3.163 349 1HG GLN 42 1HG GLN 42 3.913 -16.649 1.001 350 2HG GLN 42 2HG GLN 42 2.630 -17.237 2.053 351 1HE2 GLN 42 1HE2 GLN 42 0.518 -16.633 1.513 352 2HE2 GLN 42 2HE2 GLN 42 0.126 -15.413 0.323 353 H LYS 43 H LYS 43 0.530 -16.570 3.855 354 HA LYS 43 HA LYS 43 1.601 -18.969 5.183 355 1HB LYS 43 1HB LYS 43 -0.309 -18.846 6.890 356 2HB LYS 43 2HB LYS 43 1.109 -17.833 7.161 357 1HG LYS 43 1HG LYS 43 0.004 -15.847 6.391 358 2HG LYS 43 2HG LYS 43 -1.385 -16.778 5.802 359 1HD LYS 43 1HD LYS 43 -2.044 -17.366 8.040 360 2HD LYS 43 2HD LYS 43 -0.549 -16.689 8.725 361 1HE LYS 43 1HE LYS 43 -1.180 -14.433 8.019 362 2HE LYS 43 2HE LYS 43 -2.618 -15.050 7.188 363 1HZ LYS 43 1HZ LYS 43 -2.111 -15.134 10.074 364 2HZ LYS 43 2HZ LYS 43 -3.200 -14.175 9.289 365 3HZ LYS 43 3HZ LYS 43 -3.421 -15.805 9.325 366 H GLY 44 H GLY 44 1.122 -19.080 2.718 367 1HA GLY 44 1HA GLY 44 0.126 -20.510 1.249 368 2HA GLY 44 2HA GLY 44 -0.811 -21.149 2.601 369 H ASP 45 H ASP 45 -0.686 -18.621 0.148 370 HA ASP 45 HA ASP 45 -2.178 -17.671 -1.168 371 1HB ASP 45 1HB ASP 45 -4.404 -19.309 0.103 372 2HB ASP 45 2HB ASP 45 -4.410 -18.405 -1.409 373 HD2 ASP 45 HD2 ASP 45 -3.002 -22.116 -1.393 374 H ASP 46 H ASP 46 -3.265 -17.872 2.226 375 HA ASP 46 HA ASP 46 -4.318 -15.106 2.085 376 1HB ASP 46 1HB ASP 46 -5.085 -15.406 4.320 377 2HB ASP 46 2HB ASP 46 -5.670 -16.741 3.319 378 HD2 ASP 46 HD2 ASP 46 -3.385 -19.072 4.804 379 H PHE 47 H PHE 47 -3.324 -13.417 3.188 380 HA PHE 47 HA PHE 47 -0.942 -13.852 4.755 381 1HB PHE 47 1HB PHE 47 0.649 -12.715 3.319 382 2HB PHE 47 2HB PHE 47 0.002 -14.138 2.522 383 HD1 PHE 47 HD1 PHE 47 0.564 -10.589 2.269 384 HD2 PHE 47 HD2 PHE 47 -1.706 -13.900 0.688 385 HE1 PHE 47 HE1 PHE 47 0.325 -9.400 0.110 386 HE2 PHE 47 HE2 PHE 47 -1.944 -12.707 -1.456 387 HZ PHE 47 HZ PHE 47 -0.880 -10.499 -1.781 388 H VAL 48 H VAL 48 0.062 -11.821 5.437 389 HA VAL 48 HA VAL 48 -1.928 -9.625 5.714 390 HB VAL 48 HB VAL 48 -0.424 -11.050 7.953 391 1HG1 VAL 48 1HG1 VAL 48 -1.757 -9.670 9.478 392 2HG1 VAL 48 2HG1 VAL 48 -0.800 -8.631 8.418 393 3HG1 VAL 48 3HG1 VAL 48 -2.539 -8.858 8.112 394 1HG2 VAL 48 1HG2 VAL 48 -2.711 -11.744 8.711 395 2HG2 VAL 48 2HG2 VAL 48 -3.373 -11.099 7.198 396 3HG2 VAL 48 3HG2 VAL 48 -2.265 -12.473 7.167 397 H VAL 49 H VAL 49 -1.088 -7.638 5.864 398 HA VAL 49 HA VAL 49 1.875 -7.232 5.711 399 HB VAL 49 HB VAL 49 -0.519 -5.660 4.684 400 1HG1 VAL 49 1HG1 VAL 49 2.390 -4.777 4.842 401 2HG1 VAL 49 2HG1 VAL 49 1.139 -3.986 3.858 402 3HG1 VAL 49 3HG1 VAL 49 0.991 -3.996 5.614 403 1HG2 VAL 49 1HG2 VAL 49 1.960 -6.736 3.261 404 2HG2 VAL 49 2HG2 VAL 49 0.390 -7.547 3.263 405 3HG2 VAL 49 3HG2 VAL 49 0.568 -5.953 2.499 406 H THR 50 H THR 50 2.735 -6.024 7.326 407 HA THR 50 HA THR 50 0.995 -4.416 9.105 408 HB THR 50 HB THR 50 3.221 -6.308 9.968 409 HG1 THR 50 HG1 THR 50 0.482 -6.154 10.694 410 1HG2 THR 50 1HG2 THR 50 3.391 -4.214 11.253 411 2HG2 THR 50 2HG2 THR 50 1.656 -4.235 11.574 412 3HG2 THR 50 3HG2 THR 50 2.698 -5.489 12.273 413 H SER 51 H SER 51 1.808 -2.407 9.428 414 HA SER 51 HA SER 51 4.599 -1.833 8.659 415 1HB SER 51 1HB SER 51 3.120 -1.133 6.795 416 2HB SER 51 2HB SER 51 2.182 -0.131 7.923 417 HG SER 51 HG SER 51 4.983 0.127 7.508 418 H LYS 52 H LYS 52 5.607 -0.274 9.890 419 HA LYS 52 HA LYS 52 4.172 0.643 12.344 420 1HB LYS 52 1HB LYS 52 7.069 -0.284 12.072 421 2HB LYS 52 2HB LYS 52 6.306 0.423 13.490 422 1HG LYS 52 1HG LYS 52 6.214 -1.774 14.056 423 2HG LYS 52 2HG LYS 52 4.622 -1.601 13.309 424 1HD LYS 52 1HD LYS 52 5.484 -2.642 11.235 425 2HD LYS 52 2HD LYS 52 7.134 -2.632 11.888 426 1HE LYS 52 1HE LYS 52 6.529 -4.216 13.631 427 2HE LYS 52 2HE LYS 52 4.823 -4.147 13.165 428 1HZ LYS 52 1HZ LYS 52 7.022 -5.182 11.503 429 2HZ LYS 52 2HZ LYS 52 5.885 -6.075 12.277 430 3HZ LYS 52 3HZ LYS 52 5.445 -5.081 11.041 431 H THR 53 H THR 53 4.090 2.795 12.413 432 HA THR 53 HA THR 53 6.246 4.396 11.110 433 HB THR 53 HB THR 53 4.672 6.026 10.432 434 HG1 THR 53 HG1 THR 53 2.671 4.611 11.801 435 1HG2 THR 53 1HG2 THR 53 3.127 4.900 8.940 436 2HG2 THR 53 2HG2 THR 53 4.618 3.949 8.969 437 3HG2 THR 53 3HG2 THR 53 3.202 3.402 9.881 438 HA PRO 54 HA PRO 54 6.493 6.113 15.238 439 1HB PRO 54 1HB PRO 54 7.866 8.412 14.870 440 2HB PRO 54 2HB PRO 54 8.565 6.827 14.457 441 1HG PRO 54 1HG PRO 54 7.161 8.734 12.560 442 2HG PRO 54 2HG PRO 54 8.795 8.020 12.375 443 1HD PRO 54 1HD PRO 54 6.595 6.904 11.215 444 2HD PRO 54 2HD PRO 54 7.897 5.883 11.897 445 H ARG 55 H ARG 55 3.970 6.228 14.455 446 HA ARG 55 HA ARG 55 2.955 8.493 15.896 447 1HB ARG 55 1HB ARG 55 1.364 9.237 14.087 448 2HB ARG 55 2HB ARG 55 3.043 9.748 13.922 449 1HG ARG 55 1HG ARG 55 3.474 8.017 12.239 450 2HG ARG 55 2HG ARG 55 1.805 7.419 12.399 451 1HD ARG 55 1HD ARG 55 2.520 10.258 11.575 452 2HD ARG 55 2HD ARG 55 2.237 8.930 10.429 453 HE ARG 55 HE ARG 55 0.028 8.907 12.103 454 1HH1 ARG 55 1HH1 ARG 55 1.482 11.271 9.881 455 2HH1 ARG 55 2HH1 ARG 55 -0.046 11.975 9.434 456 1HH2 ARG 55 1HH2 ARG 55 -1.954 9.823 11.520 457 2HH2 ARG 55 2HH2 ARG 55 -2.029 11.153 10.400 458 H GLN 56 H GLN 56 2.231 5.666 13.785 459 HA GLN 56 HA GLN 56 0.664 4.465 15.870 460 1HB GLN 56 1HB GLN 56 -1.045 6.005 14.993 461 2HB GLN 56 2HB GLN 56 -0.760 5.433 13.345 462 1HG GLN 56 1HG GLN 56 -1.670 3.248 13.893 463 2HG GLN 56 2HG GLN 56 -1.746 3.654 15.620 464 1HE2 GLN 56 1HE2 GLN 56 -3.524 4.875 16.382 465 2HE2 GLN 56 2HE2 GLN 56 -4.861 5.330 15.349 466 H THR 57 H THR 57 0.103 2.215 15.294 467 HA THR 57 HA THR 57 1.726 1.135 13.027 468 HB THR 57 HB THR 57 1.705 -0.946 14.318 469 HG1 THR 57 HG1 THR 57 -0.215 -0.397 15.549 470 1HG2 THR 57 1HG2 THR 57 2.765 1.410 15.933 471 2HG2 THR 57 2HG2 THR 57 3.315 -0.280 16.018 472 3HG2 THR 57 3HG2 THR 57 3.579 0.667 14.541 473 H VAL 58 H VAL 58 0.751 -0.240 11.607 474 HA VAL 58 HA VAL 58 -2.189 -0.598 11.771 475 HB VAL 58 HB VAL 58 -0.661 0.634 9.439 476 1HG1 VAL 58 1HG1 VAL 58 -2.493 -0.735 8.564 477 2HG1 VAL 58 2HG1 VAL 58 -3.623 -0.035 9.749 478 3HG1 VAL 58 3HG1 VAL 58 -2.942 0.966 8.452 479 1HG2 VAL 58 1HG2 VAL 58 -2.719 1.826 11.356 480 2HG2 VAL 58 2HG2 VAL 58 -1.006 2.284 11.236 481 3HG2 VAL 58 3HG2 VAL 58 -2.101 2.627 9.897 482 H THR 59 H THR 59 -3.031 -2.296 10.538 483 HA THR 59 HA THR 59 -1.214 -4.135 9.159 484 HB THR 59 HB THR 59 -2.855 -4.834 11.637 485 HG1 THR 59 HG1 THR 59 -0.710 -4.039 11.911 486 1HG2 THR 59 1HG2 THR 59 -3.186 -6.679 10.042 487 2HG2 THR 59 2HG2 THR 59 -1.438 -6.733 9.723 488 3HG2 THR 59 3HG2 THR 59 -2.069 -7.170 11.318 489 H ASN 60 H ASN 60 -2.286 -5.423 7.627 490 HA ASN 60 HA ASN 60 -5.153 -5.646 7.738 491 1HB ASN 60 1HB ASN 60 -4.961 -3.517 6.481 492 2HB ASN 60 2HB ASN 60 -3.949 -4.341 5.271 493 1HD2 ASN 60 1HD2 ASN 60 -7.121 -4.908 6.983 494 2HD2 ASN 60 2HD2 ASN 60 -7.958 -5.439 5.536 495 H SER 61 H SER 61 -6.038 -7.221 6.402 496 HA SER 61 HA SER 61 -4.129 -9.353 5.590 497 1HB SER 61 1HB SER 61 -5.822 -10.906 6.550 498 2HB SER 61 2HB SER 61 -5.188 -9.779 7.771 499 HG SER 61 HG SER 61 -7.600 -9.396 6.327 500 H PHE 62 H PHE 62 -4.809 -10.789 3.944 501 HA PHE 62 HA PHE 62 -7.286 -10.522 2.523 502 1HB PHE 62 1HB PHE 62 -5.785 -9.834 0.356 503 2HB PHE 62 2HB PHE 62 -6.755 -8.733 1.308 504 HD1 PHE 62 HD1 PHE 62 -3.268 -10.162 1.629 505 HD2 PHE 62 HD2 PHE 62 -5.826 -6.681 1.711 506 HE1 PHE 62 HE1 PHE 62 -1.383 -8.777 2.433 507 HE2 PHE 62 HE2 PHE 62 -3.904 -5.293 2.419 508 HZ PHE 62 HZ PHE 62 -1.705 -6.325 2.801 509 H THR 63 H THR 63 -7.172 -11.767 0.402 510 HA THR 63 HA THR 63 -5.228 -13.980 0.435 511 HB THR 63 HB THR 63 -8.262 -14.310 0.527 512 HG1 THR 63 HG1 THR 63 -7.267 -13.862 2.547 513 1HG2 THR 63 1HG2 THR 63 -7.279 -16.076 -0.876 514 2HG2 THR 63 2HG2 THR 63 -6.066 -16.421 0.377 515 3HG2 THR 63 3HG2 THR 63 -7.780 -16.748 0.678 516 H LEU 64 H LEU 64 -4.941 -14.927 -1.576 517 HA LEU 64 HA LEU 64 -5.468 -13.241 -3.829 518 1HB LEU 64 1HB LEU 64 -4.475 -16.118 -3.672 519 2HB LEU 64 2HB LEU 64 -4.404 -15.089 -5.110 520 HG LEU 64 HG LEU 64 -2.949 -14.596 -2.470 521 1HD1 LEU 64 1HD1 LEU 64 -0.940 -15.063 -3.782 522 2HD1 LEU 64 2HD1 LEU 64 -2.054 -16.442 -3.851 523 3HD1 LEU 64 3HD1 LEU 64 -1.934 -15.339 -5.236 524 1HD2 LEU 64 1HD2 LEU 64 -1.802 -12.778 -3.877 525 2HD2 LEU 64 2HD2 LEU 64 -3.155 -12.957 -5.026 526 3HD2 LEU 64 3HD2 LEU 64 -3.451 -12.417 -3.363 527 H GLY 65 H GLY 65 -6.951 -13.270 -5.374 528 1HA GLY 65 1HA GLY 65 -8.775 -13.792 -6.611 529 2HA GLY 65 2HA GLY 65 -8.509 -15.503 -6.215 530 H LYS 66 H LYS 66 -9.224 -12.659 -4.093 531 HA LYS 66 HA LYS 66 -11.903 -13.647 -3.483 532 1HB LYS 66 1HB LYS 66 -10.288 -15.082 -2.143 533 2HB LYS 66 2HB LYS 66 -9.779 -13.613 -1.299 534 1HG LYS 66 1HG LYS 66 -12.091 -13.303 -0.448 535 2HG LYS 66 2HG LYS 66 -12.629 -14.706 -1.401 536 1HD LYS 66 1HD LYS 66 -11.013 -16.134 -0.113 537 2HD LYS 66 2HD LYS 66 -10.604 -14.717 0.879 538 1HE LYS 66 1HE LYS 66 -12.971 -14.553 1.619 539 2HE LYS 66 2HE LYS 66 -13.379 -15.963 0.620 540 1HZ LYS 66 1HZ LYS 66 -13.023 -16.582 2.881 541 2HZ LYS 66 2HZ LYS 66 -11.852 -17.252 1.933 542 3HZ LYS 66 3HZ LYS 66 -11.501 -15.946 2.877 543 H GLU 67 H GLU 67 -13.147 -12.160 -2.366 544 HA GLU 67 HA GLU 67 -12.470 -9.375 -2.556 545 1HB GLU 67 1HB GLU 67 -14.747 -10.310 -2.827 546 2HB GLU 67 2HB GLU 67 -14.740 -10.811 -1.125 547 1HG GLU 67 1HG GLU 67 -14.533 -8.425 -0.434 548 2HG GLU 67 2HG GLU 67 -14.481 -7.945 -2.142 549 HE2 GLU 67 HE2 GLU 67 -17.983 -9.412 -0.632 550 H ALA 68 H ALA 68 -11.327 -8.219 -1.087 551 HA ALA 68 HA ALA 68 -11.175 -9.141 1.760 552 1HB ALA 68 1HB ALA 68 -8.918 -8.279 1.833 553 2HB ALA 68 2HB ALA 68 -9.030 -9.501 0.541 554 3HB ALA 68 3HB ALA 68 -9.006 -7.764 0.136 555 H ASP 69 H ASP 69 -11.224 -7.562 3.310 556 HA ASP 69 HA ASP 69 -12.137 -4.849 2.551 557 1HB ASP 69 1HB ASP 69 -13.453 -6.044 4.229 558 2HB ASP 69 2HB ASP 69 -12.012 -6.300 5.225 559 HD2 ASP 69 HD2 ASP 69 -11.980 -3.056 6.520 560 H ILE 70 H ILE 70 -10.785 -3.130 2.760 561 HA ILE 70 HA ILE 70 -8.204 -3.407 4.183 562 HB ILE 70 HB ILE 70 -7.886 -3.920 1.817 563 1HG1 ILE 70 1HG1 ILE 70 -6.596 -1.220 2.323 564 2HG1 ILE 70 2HG1 ILE 70 -6.163 -2.655 3.259 565 1HG2 ILE 70 1HG2 ILE 70 -8.751 -1.060 1.229 566 2HG2 ILE 70 2HG2 ILE 70 -8.194 -2.259 0.049 567 3HG2 ILE 70 3HG2 ILE 70 -9.732 -2.500 0.875 568 1HD1 ILE 70 1HD1 ILE 70 -5.618 -3.875 1.156 569 2HD1 ILE 70 2HD1 ILE 70 -5.938 -2.393 0.232 570 3HD1 ILE 70 3HD1 ILE 70 -4.614 -2.436 1.410 571 H THR 71 H THR 71 -7.285 -1.394 4.813 572 HA THR 71 HA THR 71 -9.339 0.738 5.241 573 HB THR 71 HB THR 71 -7.309 -0.322 7.240 574 HG1 THR 71 HG1 THR 71 -10.106 -0.726 6.984 575 1HG2 THR 71 1HG2 THR 71 -8.657 0.990 8.861 576 2HG2 THR 71 2HG2 THR 71 -7.920 2.044 7.641 577 3HG2 THR 71 3HG2 THR 71 -9.647 1.628 7.533 578 H THR 72 H THR 72 -8.740 2.702 4.627 579 HA THR 72 HA THR 72 -6.179 3.211 3.459 580 HB THR 72 HB THR 72 -8.233 5.304 4.260 581 HG1 THR 72 HG1 THR 72 -9.354 3.673 3.208 582 1HG2 THR 72 1HG2 THR 72 -6.408 5.051 1.820 583 2HG2 THR 72 2HG2 THR 72 -7.493 6.403 2.191 584 3HG2 THR 72 3HG2 THR 72 -6.081 6.100 3.214 585 H MET 73 H MET 73 -4.596 4.762 4.171 586 HA MET 73 HA MET 73 -3.625 4.373 6.698 587 1HB MET 73 1HB MET 73 -2.336 5.133 4.774 588 2HB MET 73 2HB MET 73 -3.091 6.735 4.846 589 1HG MET 73 1HG MET 73 -2.082 7.205 6.983 590 2HG MET 73 2HG MET 73 -1.542 5.535 7.178 591 1HE MET 73 1HE MET 73 0.431 4.465 6.174 592 2HE MET 73 2HE MET 73 -0.041 4.722 4.478 593 3HE MET 73 3HE MET 73 1.577 5.198 5.037 594 H ASP 74 H ASP 74 -5.636 7.162 5.660 595 HA ASP 74 HA ASP 74 -5.495 8.629 8.095 596 1HB ASP 74 1HB ASP 74 -6.320 9.623 6.052 597 2HB ASP 74 2HB ASP 74 -7.678 8.484 5.975 598 HD2 ASP 74 HD2 ASP 74 -9.583 10.172 8.367 599 H GLY 75 H GLY 75 -7.829 6.167 6.949 600 1HA GLY 75 1HA GLY 75 -8.496 4.527 8.738 601 2HA GLY 75 2HA GLY 75 -8.995 5.927 9.700 602 H LYS 76 H LYS 76 -9.434 4.529 6.420 603 HA LYS 76 HA LYS 76 -12.369 4.899 6.643 604 1HB LYS 76 1HB LYS 76 -10.696 5.826 4.264 605 2HB LYS 76 2HB LYS 76 -12.459 5.672 4.302 606 1HG LYS 76 1HG LYS 76 -12.502 7.306 6.226 607 2HG LYS 76 2HG LYS 76 -10.762 7.569 5.978 608 1HD LYS 76 1HD LYS 76 -11.201 8.287 3.646 609 2HD LYS 76 2HD LYS 76 -12.940 7.999 3.883 610 1HE LYS 76 1HE LYS 76 -12.966 9.695 5.709 611 2HE LYS 76 2HE LYS 76 -11.240 10.005 5.435 612 1HZ LYS 76 1HZ LYS 76 -13.403 10.425 3.490 613 2HZ LYS 76 2HZ LYS 76 -12.606 11.599 4.326 614 3HZ LYS 76 3HZ LYS 76 -11.801 10.695 3.207 615 H LYS 77 H LYS 77 -13.159 2.891 6.433 616 HA LYS 77 HA LYS 77 -11.598 0.778 5.236 617 1HB LYS 77 1HB LYS 77 -13.330 -0.694 5.863 618 2HB LYS 77 2HB LYS 77 -13.061 0.434 7.197 619 1HG LYS 77 1HG LYS 77 -15.084 1.731 6.453 620 2HG LYS 77 2HG LYS 77 -15.338 0.543 5.158 621 1HD LYS 77 1HD LYS 77 -15.476 -1.265 6.892 622 2HD LYS 77 2HD LYS 77 -15.383 -0.011 8.150 623 1HE LYS 77 1HE LYS 77 -17.443 1.053 7.186 624 2HE LYS 77 2HE LYS 77 -17.529 -0.248 5.981 625 1HZ LYS 77 1HZ LYS 77 -18.960 -0.680 7.812 626 2HZ LYS 77 2HZ LYS 77 -17.758 -1.808 7.785 627 3HZ LYS 77 3HZ LYS 77 -17.718 -0.585 8.891 628 H LEU 78 H LEU 78 -12.052 -0.420 3.407 629 HA LEU 78 HA LEU 78 -14.313 0.064 1.709 630 1HB LEU 78 1HB LEU 78 -13.138 0.681 -0.295 631 2HB LEU 78 2HB LEU 78 -12.919 1.935 0.911 632 HG LEU 78 HG LEU 78 -10.803 -0.206 0.458 633 1HD1 LEU 78 1HD1 LEU 78 -9.705 1.338 -1.103 634 2HD1 LEU 78 2HD1 LEU 78 -11.281 0.821 -1.722 635 3HD1 LEU 78 3HD1 LEU 78 -11.093 2.441 -1.013 636 1HD2 LEU 78 1HD2 LEU 78 -9.271 1.602 1.241 637 2HD2 LEU 78 2HD2 LEU 78 -10.669 2.672 1.481 638 3HD2 LEU 78 3HD2 LEU 78 -10.465 1.224 2.479 639 H LYS 79 H LYS 79 -13.607 -1.375 -0.510 640 HA LYS 79 HA LYS 79 -12.111 -3.727 0.331 641 1HB LYS 79 1HB LYS 79 -13.945 -5.312 0.065 642 2HB LYS 79 2HB LYS 79 -14.286 -4.141 1.330 643 1HG LYS 79 1HG LYS 79 -16.305 -4.301 0.315 644 2HG LYS 79 2HG LYS 79 -15.677 -2.858 -0.484 645 1HD LYS 79 1HD LYS 79 -15.164 -4.177 -2.502 646 2HD LYS 79 2HD LYS 79 -15.502 -5.685 -1.632 647 1HE LYS 79 1HE LYS 79 -17.877 -4.949 -1.334 648 2HE LYS 79 2HE LYS 79 -17.524 -3.501 -2.299 649 1HZ LYS 79 1HZ LYS 79 -18.509 -5.244 -3.591 650 2HZ LYS 79 2HZ LYS 79 -16.974 -4.960 -4.125 651 3HZ LYS 79 3HZ LYS 79 -17.299 -6.287 -3.198 652 H CYS 80 H CYS 80 -11.769 -5.275 -1.353 653 HA CYS 80 HA CYS 80 -12.354 -4.561 -4.113 654 1HB CYS 80 1HB CYS 80 -10.010 -4.212 -4.774 655 2HB CYS 80 2HB CYS 80 -10.490 -2.980 -3.593 656 HG CYS 80 HG CYS 80 -8.001 -3.767 -3.258 657 H THR 81 H THR 81 -11.438 -6.167 -5.612 658 HA THR 81 HA THR 81 -11.260 -8.857 -4.425 659 HB THR 81 HB THR 81 -11.216 -7.945 -7.325 660 HG1 THR 81 HG1 THR 81 -13.370 -8.714 -7.230 661 1HG2 THR 81 1HG2 THR 81 -11.776 -10.341 -7.760 662 2HG2 THR 81 2HG2 THR 81 -10.169 -10.168 -7.036 663 3HG2 THR 81 3HG2 THR 81 -11.539 -10.700 -6.036 664 H VAL 82 H VAL 82 -9.310 -9.470 -3.646 665 HA VAL 82 HA VAL 82 -6.853 -8.247 -4.670 666 HB VAL 82 HB VAL 82 -7.393 -10.173 -2.397 667 1HG1 VAL 82 1HG1 VAL 82 -4.988 -9.686 -1.781 668 2HG1 VAL 82 2HG1 VAL 82 -5.155 -10.662 -3.240 669 3HG1 VAL 82 3HG1 VAL 82 -4.778 -8.929 -3.368 670 1HG2 VAL 82 1HG2 VAL 82 -6.552 -7.238 -2.498 671 2HG2 VAL 82 2HG2 VAL 82 -8.167 -7.830 -2.070 672 3HG2 VAL 82 3HG2 VAL 82 -6.782 -8.197 -1.030 673 H HIS 83 H HIS 83 -5.347 -9.226 -5.942 674 HA HIS 83 HA HIS 83 -5.475 -12.071 -6.582 675 1HB HIS 83 1HB HIS 83 -7.201 -11.138 -8.053 676 2HB HIS 83 2HB HIS 83 -6.067 -9.912 -8.648 677 HD1 HIS 83 HD1 HIS 83 -6.486 -13.739 -8.615 678 HD2 HIS 83 HD2 HIS 83 -4.678 -10.646 -10.849 679 HE1 HIS 83 HE1 HIS 83 -5.495 -14.800 -10.721 680 HE2 HIS 83 HE2 HIS 83 -4.401 -12.929 -12.089 681 H LEU 84 H LEU 84 -3.768 -12.705 -7.955 682 HA LEU 84 HA LEU 84 -1.314 -11.009 -7.900 683 1HB LEU 84 1HB LEU 84 -1.214 -12.631 -6.124 684 2HB LEU 84 2HB LEU 84 -1.728 -13.934 -7.215 685 HG LEU 84 HG LEU 84 0.420 -13.831 -8.387 686 1HD1 LEU 84 1HD1 LEU 84 1.001 -11.524 -6.477 687 2HD1 LEU 84 2HD1 LEU 84 2.260 -12.399 -7.378 688 3HD1 LEU 84 3HD1 LEU 84 1.012 -11.507 -8.250 689 1HD2 LEU 84 1HD2 LEU 84 1.830 -14.627 -6.523 690 2HD2 LEU 84 2HD2 LEU 84 0.710 -13.903 -5.351 691 3HD2 LEU 84 3HD2 LEU 84 0.177 -15.247 -6.378 692 H ALA 85 H ALA 85 -0.391 -10.830 -9.825 693 HA ALA 85 HA ALA 85 -1.089 -12.694 -12.062 694 1HB ALA 85 1HB ALA 85 -0.280 -9.763 -12.190 695 2HB ALA 85 2HB ALA 85 -0.734 -10.811 -13.560 696 3HB ALA 85 3HB ALA 85 -1.934 -10.386 -12.334 697 H ASN 86 H ASN 86 1.303 -10.984 -13.320 698 HA ASN 86 HA ASN 86 3.236 -13.084 -12.951 699 1HB ASN 86 1HB ASN 86 2.880 -12.010 -15.108 700 2HB ASN 86 2HB ASN 86 3.333 -10.436 -14.443 701 1HD2 ASN 86 1HD2 ASN 86 4.686 -13.811 -14.571 702 2HD2 ASN 86 2HD2 ASN 86 6.314 -13.300 -14.970 703 H GLY 87 H GLY 87 3.521 -12.903 -10.627 704 1HA GLY 87 1HA GLY 87 4.681 -12.338 -8.747 705 2HA GLY 87 2HA GLY 87 5.935 -11.700 -9.824 706 H LYS 88 H LYS 88 2.544 -10.614 -9.433 707 HA LYS 88 HA LYS 88 3.290 -8.168 -8.050 708 1HB LYS 88 1HB LYS 88 2.555 -6.668 -9.810 709 2HB LYS 88 2HB LYS 88 3.942 -7.633 -10.357 710 1HG LYS 88 1HG LYS 88 2.139 -9.213 -11.387 711 2HG LYS 88 2HG LYS 88 1.021 -7.865 -11.163 712 1HD LYS 88 1HD LYS 88 3.600 -7.781 -12.805 713 2HD LYS 88 2HD LYS 88 1.977 -8.066 -13.431 714 1HE LYS 88 1HE LYS 88 2.353 -5.803 -13.876 715 2HE LYS 88 2HE LYS 88 1.285 -5.801 -12.465 716 1HZ LYS 88 1HZ LYS 88 3.086 -4.245 -12.273 717 2HZ LYS 88 2HZ LYS 88 3.231 -5.403 -11.115 718 3HZ LYS 88 3HZ LYS 88 4.212 -5.435 -12.435 719 H LEU 89 H LEU 89 1.672 -7.572 -6.775 720 HA LEU 89 HA LEU 89 -0.944 -8.870 -6.948 721 1HB LEU 89 1HB LEU 89 0.135 -6.666 -5.145 722 2HB LEU 89 2HB LEU 89 -1.441 -7.450 -4.948 723 HG LEU 89 HG LEU 89 1.224 -8.932 -4.830 724 1HD1 LEU 89 1HD1 LEU 89 -0.531 -7.989 -2.532 725 2HD1 LEU 89 2HD1 LEU 89 0.963 -8.946 -2.412 726 3HD1 LEU 89 3HD1 LEU 89 1.029 -7.279 -3.001 727 1HD2 LEU 89 1HD2 LEU 89 -0.094 -10.749 -3.847 728 2HD2 LEU 89 2HD2 LEU 89 -1.583 -9.777 -3.964 729 3HD2 LEU 89 3HD2 LEU 89 -0.766 -10.358 -5.420 730 H VAL 90 H VAL 90 -2.840 -7.904 -7.568 731 HA VAL 90 HA VAL 90 -2.861 -5.114 -8.469 732 HB VAL 90 HB VAL 90 -1.952 -6.325 -10.378 733 1HG1 VAL 90 1HG1 VAL 90 -2.949 -8.577 -9.969 734 2HG1 VAL 90 2HG1 VAL 90 -4.530 -7.942 -10.482 735 3HG1 VAL 90 3HG1 VAL 90 -3.179 -7.991 -11.622 736 1HG2 VAL 90 1HG2 VAL 90 -3.545 -5.549 -12.068 737 2HG2 VAL 90 2HG2 VAL 90 -4.821 -5.414 -10.843 738 3HG2 VAL 90 3HG2 VAL 90 -3.387 -4.368 -10.755 739 H THR 91 H THR 91 -4.743 -4.226 -7.928 740 HA THR 91 HA THR 91 -7.151 -5.915 -7.506 741 HB THR 91 HB THR 91 -7.478 -5.122 -5.324 742 HG1 THR 91 HG1 THR 91 -5.364 -3.295 -5.781 743 1HG2 THR 91 1HG2 THR 91 -5.526 -6.767 -5.475 744 2HG2 THR 91 2HG2 THR 91 -4.435 -5.382 -5.352 745 3HG2 THR 91 3HG2 THR 91 -5.549 -5.737 -4.026 746 H LYS 92 H LYS 92 -9.129 -4.719 -7.596 747 HA LYS 92 HA LYS 92 -8.999 -1.878 -8.453 748 1HB LYS 92 1HB LYS 92 -10.499 -4.134 -9.861 749 2HB LYS 92 2HB LYS 92 -10.773 -2.403 -10.110 750 1HG LYS 92 1HG LYS 92 -8.435 -2.129 -10.897 751 2HG LYS 92 2HG LYS 92 -8.140 -3.847 -10.626 752 1HD LYS 92 1HD LYS 92 -8.554 -3.426 -12.991 753 2HD LYS 92 2HD LYS 92 -9.776 -4.494 -12.296 754 1HE LYS 92 1HE LYS 92 -10.738 -2.847 -13.866 755 2HE LYS 92 2HE LYS 92 -11.422 -2.683 -12.251 756 1HZ LYS 92 1HZ LYS 92 -9.295 -1.005 -13.397 757 2HZ LYS 92 2HZ LYS 92 -10.876 -0.576 -13.218 758 3HZ LYS 92 3HZ LYS 92 -9.942 -0.835 -11.887 759 H SER 93 H SER 93 -10.604 -0.671 -7.612 760 HA SER 93 HA SER 93 -13.019 -1.981 -6.459 761 1HB SER 93 1HB SER 93 -11.398 -1.147 -4.688 762 2HB SER 93 2HB SER 93 -11.654 0.487 -5.325 763 HG SER 93 HG SER 93 -13.034 -0.388 -3.507 764 H GLU 94 H GLU 94 -14.279 0.490 -5.927 765 HA GLU 94 HA GLU 94 -15.467 1.023 -8.444 766 1HB GLU 94 1HB GLU 94 -16.510 1.165 -6.183 767 2HB GLU 94 2HB GLU 94 -15.641 2.673 -5.879 768 1HG GLU 94 1HG GLU 94 -17.604 2.186 -8.180 769 2HG GLU 94 2HG GLU 94 -18.040 2.904 -6.626 770 HE2 GLU 94 HE2 GLU 94 -16.757 5.297 -9.428 771 H LYS 95 H LYS 95 -13.370 3.105 -6.393 772 HA LYS 95 HA LYS 95 -12.289 4.435 -8.829 773 1HB LYS 95 1HB LYS 95 -13.787 5.660 -6.542 774 2HB LYS 95 2HB LYS 95 -12.324 6.496 -7.041 775 1HG LYS 95 1HG LYS 95 -13.073 6.589 -9.364 776 2HG LYS 95 2HG LYS 95 -14.548 5.698 -8.956 777 1HD LYS 95 1HD LYS 95 -15.278 7.525 -7.478 778 2HD LYS 95 2HD LYS 95 -13.755 8.396 -7.768 779 1HE LYS 95 1HE LYS 95 -14.301 8.540 -10.193 780 2HE LYS 95 2HE LYS 95 -15.839 7.705 -9.894 781 1HZ LYS 95 1HZ LYS 95 -15.042 10.288 -8.744 782 2HZ LYS 95 2HZ LYS 95 -16.091 10.073 -9.996 783 3HZ LYS 95 3HZ LYS 95 -16.480 9.523 -8.491 784 H PHE 96 H PHE 96 -11.583 2.699 -6.032 785 HA PHE 96 HA PHE 96 -8.866 3.876 -5.795 786 1HB PHE 96 1HB PHE 96 -10.223 3.504 -3.748 787 2HB PHE 96 2HB PHE 96 -10.270 1.785 -4.101 788 HD1 PHE 96 HD1 PHE 96 -8.301 0.352 -3.704 789 HD2 PHE 96 HD2 PHE 96 -8.139 4.606 -3.032 790 HE1 PHE 96 HE1 PHE 96 -6.334 0.051 -2.235 791 HE2 PHE 96 HE2 PHE 96 -6.115 4.309 -1.635 792 HZ PHE 96 HZ PHE 96 -5.225 2.032 -1.207 793 H SER 97 H SER 97 -7.027 2.492 -6.056 794 HA SER 97 HA SER 97 -7.456 -0.303 -6.759 795 1HB SER 97 1HB SER 97 -6.248 -0.351 -8.805 796 2HB SER 97 2HB SER 97 -7.445 0.936 -9.003 797 HG SER 97 HG SER 97 -4.682 1.189 -8.371 798 H HIS 98 H HIS 98 -5.442 -1.517 -6.644 799 HA HIS 98 HA HIS 98 -3.167 -0.174 -5.320 800 1HB HIS 98 1HB HIS 98 -5.031 -1.203 -3.694 801 2HB HIS 98 2HB HIS 98 -4.214 -2.715 -4.071 802 HD1 HIS 98 HD1 HIS 98 -3.963 0.358 -2.021 803 HD2 HIS 98 HD2 HIS 98 -1.459 -2.807 -3.268 804 HE1 HIS 98 HE1 HIS 98 -1.934 0.331 -0.458 805 HE2 HIS 98 HE2 HIS 98 -0.384 -1.560 -1.239 806 H GLU 99 H GLU 99 -1.394 -0.844 -6.375 807 HA GLU 99 HA GLU 99 -1.272 -3.573 -7.525 808 1HB GLU 99 1HB GLU 99 -2.013 -2.091 -9.307 809 2HB GLU 99 2HB GLU 99 -0.680 -0.970 -8.980 810 1HG GLU 99 1HG GLU 99 0.960 -2.719 -9.623 811 2HG GLU 99 2HG GLU 99 -0.358 -3.884 -9.843 812 HE2 GLU 99 HE2 GLU 99 0.021 -0.832 -12.525 813 H GLN 100 H GLN 100 0.346 -4.460 -6.377 814 HA GLN 100 HA GLN 100 2.804 -2.862 -5.800 815 1HB GLN 100 1HB GLN 100 1.040 -4.465 -4.078 816 2HB GLN 100 2HB GLN 100 2.640 -5.195 -4.175 817 1HG GLN 100 1HG GLN 100 2.818 -3.791 -2.383 818 2HG GLN 100 2HG GLN 100 3.600 -2.881 -3.678 819 1HE2 GLN 100 1HE2 GLN 100 1.370 -1.616 -4.945 820 2HE2 GLN 100 2HE2 GLN 100 0.551 -0.611 -3.780 821 H GLU 101 H GLU 101 4.807 -3.820 -6.255 822 HA GLU 101 HA GLU 101 4.843 -6.518 -7.423 823 1HB GLU 101 1HB GLU 101 5.936 -5.798 -9.476 824 2HB GLU 101 2HB GLU 101 4.323 -5.080 -9.333 825 1HG GLU 101 1HG GLU 101 5.381 -2.965 -8.479 826 2HG GLU 101 2HG GLU 101 6.975 -3.680 -8.799 827 HE2 GLU 101 HE2 GLU 101 5.735 -1.575 -11.637 828 H VAL 102 H VAL 102 6.823 -7.511 -7.373 829 HA VAL 102 HA VAL 102 9.027 -6.131 -5.909 830 HB VAL 102 HB VAL 102 7.837 -8.889 -5.424 831 1HG1 VAL 102 1HG1 VAL 102 10.323 -7.581 -4.276 832 2HG1 VAL 102 2HG1 VAL 102 9.563 -9.043 -3.605 833 3HG1 VAL 102 3HG1 VAL 102 10.256 -9.078 -5.227 834 1HG2 VAL 102 1HG2 VAL 102 7.447 -8.037 -3.126 835 2HG2 VAL 102 2HG2 VAL 102 8.098 -6.461 -3.601 836 3HG2 VAL 102 3HG2 VAL 102 6.575 -7.048 -4.309 837 H LYS 103 H LYS 103 10.988 -6.481 -6.738 838 HA LYS 103 HA LYS 103 11.636 -8.879 -8.213 839 1HB LYS 103 1HB LYS 103 11.882 -6.133 -9.548 840 2HB LYS 103 2HB LYS 103 12.822 -7.551 -10.011 841 1HG LYS 103 1HG LYS 103 11.209 -7.884 -11.518 842 2HG LYS 103 2HG LYS 103 10.425 -8.707 -10.189 843 1HD LYS 103 1HD LYS 103 8.705 -7.349 -11.004 844 2HD LYS 103 2HD LYS 103 9.327 -6.364 -9.679 845 1HE LYS 103 1HE LYS 103 8.988 -4.918 -11.556 846 2HE LYS 103 2HE LYS 103 10.738 -5.100 -11.364 847 1HZ LYS 103 1HZ LYS 103 9.043 -6.531 -13.298 848 2HZ LYS 103 2HZ LYS 103 10.070 -5.288 -13.636 849 3HZ LYS 103 3HZ LYS 103 10.669 -6.734 -13.132 850 H GLY 104 H GLY 104 13.656 -9.502 -7.692 851 1HA GLY 104 1HA GLY 104 15.733 -9.532 -6.773 852 2HA GLY 104 2HA GLY 104 15.893 -7.870 -7.358 853 H ASN 105 H ASN 105 16.166 -6.332 -5.851 854 HA ASN 105 HA ASN 105 15.315 -6.793 -3.024 855 1HB ASN 105 1HB ASN 105 17.848 -6.971 -3.677 856 2HB ASN 105 2HB ASN 105 17.786 -5.215 -3.812 857 1HD2 ASN 105 1HD2 ASN 105 16.900 -4.063 -1.771 858 2HD2 ASN 105 2HD2 ASN 105 17.323 -4.762 -0.215 859 H GLU 106 H GLU 106 13.745 -5.579 -5.125 860 HA GLU 106 HA GLU 106 13.418 -2.885 -3.970 861 1HB GLU 106 1HB GLU 106 14.847 -2.666 -5.985 862 2HB GLU 106 2HB GLU 106 13.582 -3.436 -6.962 863 1HG GLU 106 1HG GLU 106 12.020 -1.598 -6.405 864 2HG GLU 106 2HG GLU 106 13.239 -0.860 -5.348 865 HE2 GLU 106 HE2 GLU 106 13.165 0.727 -8.716 866 H MET 107 H MET 107 11.324 -2.173 -3.991 867 HA MET 107 HA MET 107 9.187 -3.933 -5.046 868 1HB MET 107 1HB MET 107 9.524 -4.670 -2.808 869 2HB MET 107 2HB MET 107 9.573 -3.014 -2.177 870 1HG MET 107 1HG MET 107 7.188 -2.745 -2.675 871 2HG MET 107 2HG MET 107 7.150 -4.329 -3.461 872 1HE MET 107 1HE MET 107 5.260 -5.405 -2.119 873 2HE MET 107 2HE MET 107 5.069 -5.244 -0.357 874 3HE MET 107 3HE MET 107 4.975 -3.802 -1.394 875 H VAL 108 H VAL 108 7.965 -2.684 -6.287 876 HA VAL 108 HA VAL 108 7.778 0.247 -5.769 877 HB VAL 108 HB VAL 108 7.254 -1.394 -8.268 878 1HG1 VAL 108 1HG1 VAL 108 6.966 1.594 -7.779 879 2HG1 VAL 108 2HG1 VAL 108 6.899 0.805 -9.369 880 3HG1 VAL 108 3HG1 VAL 108 5.648 0.470 -8.169 881 1HG2 VAL 108 1HG2 VAL 108 9.652 -1.059 -7.788 882 2HG2 VAL 108 2HG2 VAL 108 9.155 -0.060 -9.161 883 3HG2 VAL 108 3HG2 VAL 108 9.378 0.681 -7.563 884 H GLU 109 H GLU 109 5.863 1.142 -5.305 885 HA GLU 109 HA GLU 109 3.537 -0.655 -4.813 886 1HB GLU 109 1HB GLU 109 4.580 1.576 -3.034 887 2HB GLU 109 2HB GLU 109 3.251 0.460 -2.691 888 1HG GLU 109 1HG GLU 109 4.995 -1.412 -2.793 889 2HG GLU 109 2HG GLU 109 6.240 -0.158 -2.896 890 HE2 GLU 109 HE2 GLU 109 5.476 -1.272 0.630 891 H THR 110 H THR 110 2.352 0.033 -6.604 892 HA THR 110 HA THR 110 1.854 2.926 -7.010 893 HB THR 110 HB THR 110 1.199 0.500 -8.719 894 HG1 THR 110 HG1 THR 110 3.424 1.019 -8.517 895 1HG2 THR 110 1HG2 THR 110 -0.377 2.322 -9.201 896 2HG2 THR 110 2HG2 THR 110 0.964 3.488 -9.288 897 3HG2 THR 110 3HG2 THR 110 0.818 2.199 -10.500 898 H ILE 111 H ILE 111 -0.176 3.823 -6.742 899 HA ILE 111 HA ILE 111 -2.469 2.130 -5.944 900 HB ILE 111 HB ILE 111 -1.318 4.404 -4.273 901 1HG1 ILE 111 1HG1 ILE 111 -1.531 1.439 -3.620 902 2HG1 ILE 111 2HG1 ILE 111 -0.037 2.325 -3.971 903 1HG2 ILE 111 1HG2 ILE 111 -3.129 3.982 -2.683 904 2HG2 ILE 111 2HG2 ILE 111 -3.814 4.378 -4.239 905 3HG2 ILE 111 3HG2 ILE 111 -3.760 2.681 -3.709 906 1HD1 ILE 111 1HD1 ILE 111 -1.762 2.697 -1.522 907 2HD1 ILE 111 2HD1 ILE 111 -0.105 2.093 -1.643 908 3HD1 ILE 111 3HD1 ILE 111 -0.444 3.795 -2.005 909 H THR 112 H THR 112 -4.468 3.150 -6.372 910 HA THR 112 HA THR 112 -4.367 5.919 -7.479 911 HB THR 112 HB THR 112 -6.388 3.822 -8.329 912 HG1 THR 112 HG1 THR 112 -4.500 3.246 -9.268 913 1HG2 THR 112 1HG2 THR 112 -6.879 5.492 -10.099 914 2HG2 THR 112 2HG2 THR 112 -7.239 6.111 -8.485 915 3HG2 THR 112 3HG2 THR 112 -5.762 6.634 -9.325 916 H PHE 113 H PHE 113 -5.751 7.301 -6.586 917 HA PHE 113 HA PHE 113 -7.826 6.410 -4.659 918 1HB PHE 113 1HB PHE 113 -5.872 7.072 -3.360 919 2HB PHE 113 2HB PHE 113 -5.709 8.559 -4.286 920 HD1 PHE 113 HD1 PHE 113 -6.752 10.549 -3.493 921 HD2 PHE 113 HD2 PHE 113 -8.087 6.721 -2.017 922 HE1 PHE 113 HE1 PHE 113 -8.107 11.685 -1.760 923 HE2 PHE 113 HE2 PHE 113 -9.494 7.867 -0.333 924 HZ PHE 113 HZ PHE 113 -9.517 10.352 -0.208 925 H GLY 114 H GLY 114 -9.230 6.692 -6.506 926 1HA GLY 114 1HA GLY 114 -10.700 7.846 -7.797 927 2HA GLY 114 2HA GLY 114 -10.551 9.160 -6.618 928 H GLY 115 H GLY 115 -9.834 11.046 -7.472 929 1HA GLY 115 1HA GLY 115 -8.874 11.160 -10.229 930 2HA GLY 115 2HA GLY 115 -9.295 12.503 -9.165 931 H VAL 116 H VAL 116 -7.100 10.346 -7.597 932 HA VAL 116 HA VAL 116 -4.704 11.839 -8.552 933 HB VAL 116 HB VAL 116 -5.411 11.137 -5.667 934 1HG1 VAL 116 1HG1 VAL 116 -3.295 12.398 -5.159 935 2HG1 VAL 116 2HG1 VAL 116 -3.001 10.887 -6.027 936 3HG1 VAL 116 3HG1 VAL 116 -2.938 12.440 -6.895 937 1HG2 VAL 116 1HG2 VAL 116 -5.153 13.828 -7.084 938 2HG2 VAL 116 2HG2 VAL 116 -6.644 13.130 -6.408 939 3HG2 VAL 116 3HG2 VAL 116 -5.327 13.609 -5.331 940 H THR 117 H THR 117 -2.967 10.555 -8.925 941 HA THR 117 HA THR 117 -3.082 7.672 -8.160 942 HB THR 117 HB THR 117 -1.985 8.880 -10.735 943 HG1 THR 117 HG1 THR 117 -3.739 7.733 -11.653 944 1HG2 THR 117 1HG2 THR 117 -2.268 5.976 -9.815 945 2HG2 THR 117 2HG2 THR 117 -1.754 6.507 -11.432 946 3HG2 THR 117 3HG2 THR 117 -0.735 6.852 -10.025 947 H LEU 118 H LEU 118 -1.227 6.931 -7.153 948 HA LEU 118 HA LEU 118 1.182 8.575 -7.281 949 1HB LEU 118 1HB LEU 118 1.465 8.748 -4.957 950 2HB LEU 118 2HB LEU 118 -0.093 9.439 -5.369 951 HG LEU 118 HG LEU 118 -0.222 8.366 -3.298 952 1HD1 LEU 118 1HD1 LEU 118 -2.099 6.905 -3.514 953 2HD1 LEU 118 2HD1 LEU 118 -2.209 8.124 -4.799 954 3HD1 LEU 118 3HD1 LEU 118 -1.656 6.484 -5.172 955 1HD2 LEU 118 1HD2 LEU 118 1.689 6.803 -3.529 956 2HD2 LEU 118 2HD2 LEU 118 0.260 6.142 -2.718 957 3HD2 LEU 118 3HD2 LEU 118 0.616 5.673 -4.384 958 H ILE 119 H ILE 119 3.071 7.578 -6.298 959 HA ILE 119 HA ILE 119 3.029 4.693 -6.092 960 HB ILE 119 HB ILE 119 3.032 4.726 -8.405 961 1HG1 ILE 119 1HG1 ILE 119 4.931 3.393 -7.295 962 2HG1 ILE 119 2HG1 ILE 119 4.891 3.593 -9.045 963 1HG2 ILE 119 1HG2 ILE 119 5.039 6.995 -8.422 964 2HG2 ILE 119 2HG2 ILE 119 4.506 6.089 -9.855 965 3HG2 ILE 119 3HG2 ILE 119 3.345 7.050 -8.940 966 1HD1 ILE 119 1HD1 ILE 119 7.166 3.858 -8.170 967 2HD1 ILE 119 2HD1 ILE 119 6.611 5.314 -8.993 968 3HD1 ILE 119 3HD1 ILE 119 6.667 5.265 -7.223 969 H ARG 120 H ARG 120 4.738 3.941 -4.924 970 HA ARG 120 HA ARG 120 6.934 5.794 -4.259 971 1HB ARG 120 1HB ARG 120 6.672 5.452 -1.876 972 2HB ARG 120 2HB ARG 120 5.196 6.163 -2.547 973 1HG ARG 120 1HG ARG 120 4.253 3.780 -2.655 974 2HG ARG 120 2HG ARG 120 5.651 3.282 -1.682 975 1HD ARG 120 1HD ARG 120 3.455 5.262 -0.945 976 2HD ARG 120 2HD ARG 120 3.701 3.627 -0.302 977 HE ARG 120 HE ARG 120 5.959 5.466 0.069 978 1HH1 ARG 120 1HH1 ARG 120 2.967 4.206 1.528 979 2HH1 ARG 120 2HH1 ARG 120 3.368 4.789 3.123 980 1HH2 ARG 120 1HH2 ARG 120 6.427 6.259 2.158 981 2HH2 ARG 120 2HH2 ARG 120 5.339 5.940 3.485 982 H ARG 121 H ARG 121 8.712 4.696 -3.244 983 HA ARG 121 HA ARG 121 9.030 1.932 -4.355 984 1HB ARG 121 1HB ARG 121 11.001 4.265 -4.373 985 2HB ARG 121 2HB ARG 121 11.320 2.608 -4.907 986 1HG ARG 121 1HG ARG 121 10.792 3.429 -6.949 987 2HG ARG 121 2HG ARG 121 9.152 3.056 -6.428 988 1HD ARG 121 1HD ARG 121 9.040 5.249 -7.337 989 2HD ARG 121 2HD ARG 121 9.007 5.499 -5.599 990 HE ARG 121 HE ARG 121 11.021 6.578 -5.700 991 1HH1 ARG 121 1HH1 ARG 121 10.505 4.919 -8.800 992 2HH1 ARG 121 2HH1 ARG 121 11.812 5.750 -9.601 993 1HH2 ARG 121 1HH2 ARG 121 12.752 7.630 -6.756 994 2HH2 ARG 121 2HH2 ARG 121 13.096 7.289 -8.431 995 H SER 122 H SER 122 10.286 0.505 -3.226 996 HA SER 122 HA SER 122 11.389 1.258 -0.587 997 1HB SER 122 1HB SER 122 9.450 -1.057 -1.015 998 2HB SER 122 2HB SER 122 10.137 -0.501 0.520 999 HG SER 122 HG SER 122 9.010 1.564 -0.082 1000 H LYS 123 H LYS 123 12.696 -0.504 0.327 1001 HA LYS 123 HA LYS 123 13.954 -2.307 -1.693 1002 1HB LYS 123 1HB LYS 123 15.268 -0.337 0.220 1003 2HB LYS 123 2HB LYS 123 16.136 -1.677 -0.551 1004 1HG LYS 123 1HG LYS 123 15.652 -0.842 -2.759 1005 2HG LYS 123 2HG LYS 123 14.633 0.461 -2.123 1006 1HD LYS 123 1HD LYS 123 16.501 1.508 -1.001 1007 2HD LYS 123 2HD LYS 123 17.593 0.185 -1.443 1008 1HE LYS 123 1HE LYS 123 16.157 1.978 -3.461 1009 2HE LYS 123 2HE LYS 123 17.807 2.254 -2.876 1010 1HZ LYS 123 1HZ LYS 123 17.806 1.086 -4.937 1011 2HZ LYS 123 2HZ LYS 123 18.425 0.124 -3.750 1012 3HZ LYS 123 3HZ LYS 123 16.898 -0.138 -4.315 1013 H ARG 124 H ARG 124 14.763 -4.249 -0.860 1014 HA ARG 124 HA ARG 124 13.224 -5.265 1.285 1015 1HB ARG 124 1HB ARG 124 14.131 -6.425 -0.876 1016 2HB ARG 124 2HB ARG 124 15.610 -6.655 0.063 1017 1HG ARG 124 1HG ARG 124 14.279 -7.800 1.825 1018 2HG ARG 124 2HG ARG 124 12.835 -7.676 0.807 1019 1HD ARG 124 1HD ARG 124 15.445 -9.066 0.046 1020 2HD ARG 124 2HD ARG 124 14.045 -9.897 0.698 1021 HE ARG 124 HE ARG 124 14.337 -8.614 -1.980 1022 1HH1 ARG 124 1HH1 ARG 124 12.256 -10.597 0.147 1023 2HH1 ARG 124 2HH1 ARG 124 11.320 -11.212 -1.186 1024 1HH2 ARG 124 1HH2 ARG 124 13.105 -9.434 -3.660 1025 2HH2 ARG 124 2HH2 ARG 124 11.762 -10.510 -3.353 1026 H VAL 125 H VAL 125 13.835 -6.080 3.269 1027 HA VAL 125 HA VAL 125 16.538 -5.452 4.357 1028 HB VAL 125 HB VAL 125 13.811 -5.199 5.694 1029 1HG1 VAL 125 1HG1 VAL 125 16.603 -4.825 6.858 1030 2HG1 VAL 125 2HG1 VAL 125 15.082 -4.424 7.681 1031 3HG1 VAL 125 3HG1 VAL 125 15.453 -6.107 7.294 1032 1HG2 VAL 125 1HG2 VAL 125 15.930 -3.113 5.029 1033 2HG2 VAL 125 2HG2 VAL 125 14.322 -3.253 4.282 1034 3HG2 VAL 125 3HG2 VAL 125 14.467 -2.824 5.992 Start of MODEL 2 1 1H ALA 1 1H ALA 1 1.359 -13.990 -0.163 2 2H ALA 1 2H ALA 1 2.771 -13.945 0.685 3 3H ALA 1 3H ALA 1 2.181 -12.575 -0.020 4 HA ALA 1 HA ALA 1 3.045 -14.981 -1.441 5 1HB ALA 1 1HB ALA 1 1.339 -13.709 -2.642 6 2HB ALA 1 2HB ALA 1 2.338 -12.237 -2.533 7 3HB ALA 1 3HB ALA 1 2.906 -13.634 -3.469 8 H PHE 2 H PHE 2 3.867 -11.534 -0.940 9 HA PHE 2 HA PHE 2 6.553 -11.792 -1.831 10 1HB PHE 2 1HB PHE 2 5.461 -9.687 0.058 11 2HB PHE 2 2HB PHE 2 6.836 -9.543 -1.033 12 HD1 PHE 2 HD1 PHE 2 5.760 -10.625 -3.606 13 HD2 PHE 2 HD2 PHE 2 3.913 -8.047 -0.672 14 HE1 PHE 2 HE1 PHE 2 4.236 -9.742 -5.330 15 HE2 PHE 2 HE2 PHE 2 2.393 -7.171 -2.417 16 HZ PHE 2 HZ PHE 2 2.576 -7.997 -4.757 17 H SER 3 H SER 3 5.192 -11.615 1.463 18 HA SER 3 HA SER 3 5.912 -12.332 3.470 19 1HB SER 3 1HB SER 3 5.277 -14.353 2.156 20 2HB SER 3 2HB SER 3 7.002 -14.669 1.882 21 HG SER 3 HG SER 3 6.286 -15.757 3.727 22 H GLY 4 H GLY 4 7.430 -10.577 3.735 23 1HA GLY 4 1HA GLY 4 9.982 -11.321 4.647 24 2HA GLY 4 2HA GLY 4 10.176 -10.675 2.999 25 H THR 5 H THR 5 11.449 -9.027 4.275 26 HA THR 5 HA THR 5 9.714 -6.901 5.457 27 HB THR 5 HB THR 5 12.610 -7.601 6.070 28 HG1 THR 5 HG1 THR 5 11.730 -8.352 8.000 29 1HG2 THR 5 1HG2 THR 5 10.680 -5.631 7.384 30 2HG2 THR 5 2HG2 THR 5 12.295 -6.055 7.986 31 3HG2 THR 5 3HG2 THR 5 12.128 -5.195 6.449 32 H TRP 6 H TRP 6 10.171 -4.774 4.891 33 HA TRP 6 HA TRP 6 11.869 -4.304 2.506 34 1HB TRP 6 1HB TRP 6 8.879 -3.826 2.761 35 2HB TRP 6 2HB TRP 6 9.887 -3.126 1.499 36 HD1 TRP 6 HD1 TRP 6 8.239 -6.358 2.545 37 HE1 TRP 6 HE1 TRP 6 8.426 -8.109 0.635 38 HE3 TRP 6 HE3 TRP 6 11.362 -3.818 -0.583 39 HZ2 TRP 6 HZ2 TRP 6 9.827 -8.379 -1.852 40 HZ3 TRP 6 HZ3 TRP 6 12.236 -4.897 -2.632 41 HH2 TRP 6 HH2 TRP 6 11.474 -7.168 -3.282 42 H GLN 7 H GLN 7 12.720 -2.315 2.430 43 HA GLN 7 HA GLN 7 11.923 -0.277 4.465 44 1HB GLN 7 1HB GLN 7 14.184 -1.070 4.858 45 2HB GLN 7 2HB GLN 7 14.604 -0.867 3.153 46 1HG GLN 7 1HG GLN 7 15.527 0.933 4.519 47 2HG GLN 7 2HG GLN 7 14.387 1.578 3.347 48 1HE2 GLN 7 1HE2 GLN 7 12.351 2.454 4.122 49 2HE2 GLN 7 2HE2 GLN 7 12.070 2.783 5.816 50 H VAL 8 H VAL 8 10.627 1.120 3.452 51 HA VAL 8 HA VAL 8 10.518 1.743 0.678 52 HB VAL 8 HB VAL 8 9.778 3.454 3.074 53 1HG1 VAL 8 1HG1 VAL 8 8.890 3.586 0.152 54 2HG1 VAL 8 2HG1 VAL 8 8.205 4.547 1.476 55 3HG1 VAL 8 3HG1 VAL 8 9.888 4.789 0.993 56 1HG2 VAL 8 1HG2 VAL 8 8.002 1.607 1.421 57 2HG2 VAL 8 2HG2 VAL 8 8.600 1.223 3.047 58 3HG2 VAL 8 3HG2 VAL 8 7.520 2.592 2.810 59 H TYR 9 H TYR 9 11.665 3.270 -0.542 60 HA TYR 9 HA TYR 9 13.784 4.854 0.854 61 1HB TYR 9 1HB TYR 9 15.358 4.436 -0.804 62 2HB TYR 9 2HB TYR 9 14.752 2.873 -0.277 63 HD1 TYR 9 HD1 TYR 9 15.000 5.271 -3.066 64 HD2 TYR 9 HD2 TYR 9 13.438 1.466 -1.805 65 HE1 TYR 9 HE1 TYR 9 14.661 4.631 -5.433 66 HE2 TYR 9 HE2 TYR 9 13.052 0.836 -4.180 67 HH TYR 9 HH TYR 9 14.000 2.980 -6.888 68 H ALA 10 H ALA 10 11.440 4.647 -1.819 69 HA ALA 10 HA ALA 10 11.754 7.599 -2.227 70 1HB ALA 10 1HB ALA 10 11.143 5.492 -4.324 71 2HB ALA 10 2HB ALA 10 11.245 7.246 -4.579 72 3HB ALA 10 3HB ALA 10 12.695 6.337 -4.121 73 H GLN 11 H GLN 11 9.924 8.775 -2.447 74 HA GLN 11 HA GLN 11 7.265 7.521 -2.522 75 1HB GLN 11 1HB GLN 11 8.135 9.530 -0.399 76 2HB GLN 11 2HB GLN 11 6.479 8.967 -0.675 77 1HG GLN 11 1HG GLN 11 7.097 6.685 -0.030 78 2HG GLN 11 2HG GLN 11 8.787 7.172 0.190 79 1HE2 GLN 11 1HE2 GLN 11 6.411 6.250 2.079 80 2HE2 GLN 11 2HE2 GLN 11 6.660 7.348 3.427 81 H GLU 12 H GLU 12 6.236 8.567 -4.162 82 HA GLU 12 HA GLU 12 6.585 11.481 -4.463 83 1HB GLU 12 1HB GLU 12 8.203 10.596 -5.976 84 2HB GLU 12 2HB GLU 12 7.072 9.409 -6.630 85 1HG GLU 12 1HG GLU 12 5.745 11.133 -7.694 86 2HG GLU 12 2HG GLU 12 6.601 12.413 -6.812 87 HE2 GLU 12 HE2 GLU 12 8.915 12.778 -9.320 88 H ASN 13 H ASN 13 4.833 12.537 -5.139 89 HA ASN 13 HA ASN 13 2.691 13.054 -5.285 90 1HB ASN 13 1HB ASN 13 3.071 11.456 -7.377 91 2HB ASN 13 2HB ASN 13 1.916 10.422 -6.543 92 1HD2 ASN 13 1HD2 ASN 13 -0.200 11.607 -5.885 93 2HD2 ASN 13 2HD2 ASN 13 -0.806 12.843 -6.980 94 H TYR 14 H TYR 14 3.785 11.369 -3.009 95 HA TYR 14 HA TYR 14 1.511 9.873 -1.997 96 1HB TYR 14 1HB TYR 14 3.780 9.047 -1.697 97 2HB TYR 14 2HB TYR 14 4.266 10.551 -0.917 98 HD1 TYR 14 HD1 TYR 14 5.028 9.764 1.178 99 HD2 TYR 14 HD2 TYR 14 1.146 8.520 -0.243 100 HE1 TYR 14 HE1 TYR 14 4.561 8.708 3.361 101 HE2 TYR 14 HE2 TYR 14 0.698 7.448 1.931 102 HH TYR 14 HH TYR 14 3.012 7.606 4.657 103 H GLU 15 H GLU 15 3.342 12.839 -1.124 104 HA GLU 15 HA GLU 15 1.791 13.656 1.069 105 1HB GLU 15 1HB GLU 15 2.723 15.862 0.689 106 2HB GLU 15 2HB GLU 15 3.949 14.593 0.541 107 1HG GLU 15 1HG GLU 15 3.896 14.782 -1.917 108 2HG GLU 15 2HG GLU 15 2.616 16.006 -1.810 109 HE2 GLU 15 HE2 GLU 15 4.717 18.560 -0.622 110 H GLU 16 H GLU 16 1.214 14.082 -2.411 111 HA GLU 16 HA GLU 16 -0.989 15.877 -2.290 112 1HB GLU 16 1HB GLU 16 -0.163 13.726 -4.273 113 2HB GLU 16 2HB GLU 16 -1.524 14.827 -4.549 114 1HG GLU 16 1HG GLU 16 -0.105 16.764 -4.531 115 2HG GLU 16 2HG GLU 16 1.279 15.844 -3.922 116 HE2 GLU 16 HE2 GLU 16 0.238 15.137 -7.783 117 H PHE 17 H PHE 17 -0.827 12.277 -2.251 118 HA PHE 17 HA PHE 17 -3.650 11.863 -2.121 119 1HB PHE 17 1HB PHE 17 -2.203 10.092 -2.812 120 2HB PHE 17 2HB PHE 17 -1.288 10.148 -1.312 121 HD1 PHE 17 HD1 PHE 17 -4.825 9.624 -2.520 122 HD2 PHE 17 HD2 PHE 17 -1.859 8.720 0.476 123 HE1 PHE 17 HE1 PHE 17 -6.352 7.959 -1.484 124 HE2 PHE 17 HE2 PHE 17 -3.309 6.921 1.367 125 HZ PHE 17 HZ PHE 17 -5.563 6.538 0.386 126 H LEU 18 H LEU 18 -1.135 11.937 0.481 127 HA LEU 18 HA LEU 18 -2.905 11.555 2.659 128 1HB LEU 18 1HB LEU 18 -0.335 13.180 2.474 129 2HB LEU 18 2HB LEU 18 -1.152 12.765 3.988 130 HG LEU 18 HG LEU 18 0.049 10.744 2.048 131 1HD1 LEU 18 1HD1 LEU 18 1.739 10.473 3.843 132 2HD1 LEU 18 2HD1 LEU 18 1.743 12.118 3.188 133 3HD1 LEU 18 3HD1 LEU 18 0.982 11.789 4.758 134 1HD2 LEU 18 1HD2 LEU 18 -0.283 9.164 3.980 135 2HD2 LEU 18 2HD2 LEU 18 -1.256 10.408 4.787 136 3HD2 LEU 18 3HD2 LEU 18 -1.797 9.697 3.248 137 H LYS 19 H LYS 19 -2.002 14.571 0.948 138 HA LYS 19 HA LYS 19 -3.523 16.276 2.647 139 1HB LYS 19 1HB LYS 19 -1.654 16.988 1.228 140 2HB LYS 19 2HB LYS 19 -2.597 16.686 -0.236 141 1HG LYS 19 1HG LYS 19 -3.656 18.557 1.909 142 2HG LYS 19 2HG LYS 19 -2.361 19.096 0.830 143 1HD LYS 19 1HD LYS 19 -3.717 18.654 -1.152 144 2HD LYS 19 2HD LYS 19 -5.059 18.068 -0.152 145 1HE LYS 19 1HE LYS 19 -5.173 20.291 0.974 146 2HE LYS 19 2HE LYS 19 -3.889 20.879 -0.101 147 1HZ LYS 19 1HZ LYS 19 -6.534 19.901 -0.925 148 2HZ LYS 19 2HZ LYS 19 -6.030 21.470 -0.917 149 3HZ LYS 19 3HZ LYS 19 -5.342 20.389 -1.954 150 H ALA 20 H ALA 20 -4.362 14.424 -0.282 151 HA ALA 20 HA ALA 20 -7.016 15.499 -0.525 152 1HB ALA 20 1HB ALA 20 -7.423 13.633 -2.016 153 2HB ALA 20 2HB ALA 20 -5.845 14.360 -2.372 154 3HB ALA 20 3HB ALA 20 -5.940 12.820 -1.489 155 H LEU 21 H LEU 21 -5.577 13.069 1.640 156 HA LEU 21 HA LEU 21 -8.167 11.953 2.416 157 1HB LEU 21 1HB LEU 21 -5.410 11.753 3.682 158 2HB LEU 21 2HB LEU 21 -6.848 10.935 4.280 159 HG LEU 21 HG LEU 21 -5.524 10.411 1.605 160 1HD1 LEU 21 1HD1 LEU 21 -5.039 8.214 2.723 161 2HD1 LEU 21 2HD1 LEU 21 -4.255 9.583 3.525 162 3HD1 LEU 21 3HD1 LEU 21 -5.715 8.857 4.224 163 1HD2 LEU 21 1HD2 LEU 21 -7.910 10.024 1.329 164 2HD2 LEU 21 2HD2 LEU 21 -7.105 8.468 1.512 165 3HD2 LEU 21 3HD2 LEU 21 -7.989 9.162 2.886 166 H ALA 22 H ALA 22 -8.670 11.960 4.793 167 HA ALA 22 HA ALA 22 -9.614 14.488 5.495 168 1HB ALA 22 1HB ALA 22 -9.240 12.012 7.227 169 2HB ALA 22 2HB ALA 22 -10.286 13.396 7.611 170 3HB ALA 22 3HB ALA 22 -10.645 12.379 6.203 171 H LEU 23 H LEU 23 -6.639 12.840 6.580 172 HA LEU 23 HA LEU 23 -6.212 14.451 8.825 173 1HB LEU 23 1HB LEU 23 -3.973 13.671 8.901 174 2HB LEU 23 2HB LEU 23 -5.100 12.358 8.638 175 HG LEU 23 HG LEU 23 -3.829 13.452 6.149 176 1HD1 LEU 23 1HD1 LEU 23 -1.939 13.574 7.728 177 2HD1 LEU 23 2HD1 LEU 23 -2.226 11.899 8.230 178 3HD1 LEU 23 3HD1 LEU 23 -1.705 12.258 6.571 179 1HD2 LEU 23 1HD2 LEU 23 -5.290 11.429 6.143 180 2HD2 LEU 23 2HD2 LEU 23 -3.638 11.083 5.602 181 3HD2 LEU 23 3HD2 LEU 23 -4.147 10.627 7.239 182 HA PRO 24 HA PRO 24 -5.266 18.257 6.785 183 1HB PRO 24 1HB PRO 24 -4.570 19.858 8.865 184 2HB PRO 24 2HB PRO 24 -6.206 19.144 8.744 185 1HG PRO 24 1HG PRO 24 -3.842 18.035 10.296 186 2HG PRO 24 2HG PRO 24 -5.478 18.389 10.929 187 1HD PRO 24 1HD PRO 24 -4.815 15.893 10.093 188 2HD PRO 24 2HD PRO 24 -6.430 16.572 9.728 189 H GLU 25 H GLU 25 -3.501 19.878 6.502 190 HA GLU 25 HA GLU 25 -1.185 18.809 5.585 191 1HB GLU 25 1HB GLU 25 -0.374 21.075 5.411 192 2HB GLU 25 2HB GLU 25 -2.093 20.976 5.008 193 1HG GLU 25 1HG GLU 25 -2.644 21.813 7.320 194 2HG GLU 25 2HG GLU 25 -0.909 22.035 7.614 195 HE2 GLU 25 HE2 GLU 25 -2.219 25.251 6.596 196 H ASP 26 H ASP 26 -1.737 19.994 8.888 197 HA ASP 26 HA ASP 26 0.961 19.995 9.760 198 1HB ASP 26 1HB ASP 26 -0.884 21.042 11.030 199 2HB ASP 26 2HB ASP 26 -1.601 19.451 11.329 200 HD2 ASP 26 HD2 ASP 26 1.873 20.431 13.232 201 H LEU 27 H LEU 27 -1.409 17.335 9.513 202 HA LEU 27 HA LEU 27 0.470 15.432 10.759 203 1HB LEU 27 1HB LEU 27 -2.300 15.028 9.614 204 2HB LEU 27 2HB LEU 27 -1.332 13.824 10.480 205 HG LEU 27 HG LEU 27 -2.616 16.352 11.579 206 1HD1 LEU 27 1HD1 LEU 27 -2.796 13.413 12.389 207 2HD1 LEU 27 2HD1 LEU 27 -3.746 14.755 13.062 208 3HD1 LEU 27 3HD1 LEU 27 -3.982 14.251 11.379 209 1HD2 LEU 27 1HD2 LEU 27 -0.431 16.309 12.650 210 2HD2 LEU 27 2HD2 LEU 27 -1.629 15.711 13.796 211 3HD2 LEU 27 3HD2 LEU 27 -0.570 14.560 12.954 212 H ILE 28 H ILE 28 -0.667 16.307 7.465 213 HA ILE 28 HA ILE 28 0.577 13.978 6.294 214 HB ILE 28 HB ILE 28 0.291 14.777 4.231 215 1HG1 ILE 28 1HG1 ILE 28 -0.341 17.351 3.872 216 2HG1 ILE 28 2HG1 ILE 28 0.783 17.545 5.215 217 1HG2 ILE 28 1HG2 ILE 28 -1.883 16.320 5.646 218 2HG2 ILE 28 2HG2 ILE 28 -1.914 15.589 4.047 219 3HG2 ILE 28 3HG2 ILE 28 -1.850 14.550 5.476 220 1HD1 ILE 28 1HD1 ILE 28 1.930 17.718 3.061 221 2HD1 ILE 28 2HD1 ILE 28 2.495 16.254 3.881 222 3HD1 ILE 28 3HD1 ILE 28 1.304 16.133 2.570 223 H LYS 29 H LYS 29 1.815 17.170 7.263 224 HA LYS 29 HA LYS 29 4.429 17.036 6.271 225 1HB LYS 29 1HB LYS 29 3.330 18.929 7.391 226 2HB LYS 29 2HB LYS 29 3.504 18.103 8.951 227 1HG LYS 29 1HG LYS 29 5.977 18.066 8.629 228 2HG LYS 29 2HG LYS 29 5.785 18.943 7.101 229 1HD LYS 29 1HD LYS 29 4.918 19.934 9.856 230 2HD LYS 29 2HD LYS 29 6.428 20.365 9.032 231 1HE LYS 29 1HE LYS 29 5.124 21.386 7.171 232 2HE LYS 29 2HE LYS 29 3.616 21.025 8.034 233 1HZ LYS 29 1HZ LYS 29 4.298 23.243 8.409 234 2HZ LYS 29 2HZ LYS 29 4.368 22.400 9.821 235 3HZ LYS 29 3HZ LYS 29 5.756 22.764 9.009 236 H MET 30 H MET 30 2.953 15.340 9.065 237 HA MET 30 HA MET 30 5.483 14.498 10.195 238 1HB MET 30 1HB MET 30 2.607 13.668 10.739 239 2HB MET 30 2HB MET 30 3.995 13.085 11.638 240 1HG MET 30 1HG MET 30 4.603 15.406 12.255 241 2HG MET 30 2HG MET 30 3.204 15.999 11.363 242 1HE MET 30 1HE MET 30 1.998 16.791 14.912 243 2HE MET 30 2HE MET 30 3.603 17.027 14.181 244 3HE MET 30 3HE MET 30 2.134 17.352 13.231 245 H ALA 31 H ALA 31 3.534 13.316 7.571 246 HA ALA 31 HA ALA 31 5.221 10.867 7.416 247 1HB ALA 31 1HB ALA 31 3.015 10.246 8.316 248 2HB ALA 31 2HB ALA 31 2.227 11.025 6.928 249 3HB ALA 31 3HB ALA 31 3.256 9.596 6.686 250 H ARG 32 H ARG 32 5.287 13.623 6.095 251 HA ARG 32 HA ARG 32 4.293 13.397 3.456 252 1HB ARG 32 1HB ARG 32 4.831 15.551 4.542 253 2HB ARG 32 2HB ARG 32 6.540 15.141 4.556 254 1HG ARG 32 1HG ARG 32 6.017 14.832 1.884 255 2HG ARG 32 2HG ARG 32 4.748 15.982 2.298 256 1HD ARG 32 1HD ARG 32 6.399 17.582 3.086 257 2HD ARG 32 2HD ARG 32 7.701 16.374 2.943 258 HE ARG 32 HE ARG 32 6.436 16.594 0.429 259 1HH1 ARG 32 1HH1 ARG 32 8.590 18.502 2.511 260 2HH1 ARG 32 2HH1 ARG 32 9.320 19.348 1.172 261 1HH2 ARG 32 1HH2 ARG 32 7.358 17.692 -1.278 262 2HH2 ARG 32 2HH2 ARG 32 8.619 18.878 -1.022 263 H ASP 33 H ASP 33 7.738 13.505 4.412 264 HA ASP 33 HA ASP 33 8.468 11.573 2.248 265 1HB ASP 33 1HB ASP 33 9.861 14.125 3.166 266 2HB ASP 33 2HB ASP 33 10.578 12.916 2.090 267 HD2 ASP 33 HD2 ASP 33 9.325 15.477 -0.094 268 H ILE 34 H ILE 34 7.715 10.553 4.526 269 HA ILE 34 HA ILE 34 10.195 9.838 6.041 270 HB ILE 34 HB ILE 34 7.287 10.015 6.955 271 1HG1 ILE 34 1HG1 ILE 34 8.378 11.186 8.932 272 2HG1 ILE 34 2HG1 ILE 34 9.882 11.247 8.004 273 1HG2 ILE 34 1HG2 ILE 34 8.136 7.847 7.710 274 2HG2 ILE 34 2HG2 ILE 34 9.632 8.607 8.292 275 3HG2 ILE 34 3HG2 ILE 34 8.075 8.946 9.075 276 1HD1 ILE 34 1HD1 ILE 34 8.822 12.751 6.379 277 2HD1 ILE 34 2HD1 ILE 34 7.226 12.475 7.119 278 3HD1 ILE 34 3HD1 ILE 34 8.489 13.346 8.004 279 H LYS 35 H LYS 35 10.752 7.820 5.635 280 HA LYS 35 HA LYS 35 9.114 6.212 3.771 281 1HB LYS 35 1HB LYS 35 12.068 6.483 4.354 282 2HB LYS 35 2HB LYS 35 11.388 5.339 3.201 283 1HG LYS 35 1HG LYS 35 10.765 6.935 1.682 284 2HG LYS 35 2HG LYS 35 10.540 8.214 2.868 285 1HD LYS 35 1HD LYS 35 13.290 7.138 2.166 286 2HD LYS 35 2HD LYS 35 12.502 8.462 1.286 287 1HE LYS 35 1HE LYS 35 12.302 9.785 3.354 288 2HE LYS 35 2HE LYS 35 13.103 8.504 4.279 289 1HZ LYS 35 1HZ LYS 35 14.279 10.027 2.067 290 2HZ LYS 35 2HZ LYS 35 14.610 10.215 3.669 291 3HZ LYS 35 3HZ LYS 35 15.032 8.819 2.900 292 HA PRO 36 HA PRO 36 8.956 4.106 7.810 293 1HB PRO 36 1HB PRO 36 6.582 2.773 7.605 294 2HB PRO 36 2HB PRO 36 6.689 4.558 7.727 295 1HG PRO 36 1HG PRO 36 6.466 2.900 5.189 296 2HG PRO 36 2HG PRO 36 5.396 4.240 5.713 297 1HD PRO 36 1HD PRO 36 7.468 4.714 4.044 298 2HD PRO 36 2HD PRO 36 7.085 5.836 5.388 299 H ILE 37 H ILE 37 8.604 1.842 8.637 300 HA ILE 37 HA ILE 37 10.058 -0.137 6.998 301 HB ILE 37 HB ILE 37 8.936 -0.249 9.826 302 1HG1 ILE 37 1HG1 ILE 37 10.727 1.353 9.787 303 2HG1 ILE 37 2HG1 ILE 37 11.286 -0.123 10.570 304 1HG2 ILE 37 1HG2 ILE 37 10.424 -2.268 10.051 305 2HG2 ILE 37 2HG2 ILE 37 9.037 -2.494 8.984 306 3HG2 ILE 37 3HG2 ILE 37 10.648 -2.239 8.288 307 1HD1 ILE 37 1HD1 ILE 37 12.416 -0.784 8.405 308 2HD1 ILE 37 2HD1 ILE 37 11.915 0.782 7.728 309 3HD1 ILE 37 3HD1 ILE 37 13.024 0.727 9.102 310 H VAL 38 H VAL 38 9.134 -1.811 6.041 311 HA VAL 38 HA VAL 38 6.192 -2.256 6.309 312 HB VAL 38 HB VAL 38 7.917 -2.084 3.818 313 1HG1 VAL 38 1HG1 VAL 38 5.836 -2.709 2.561 314 2HG1 VAL 38 2HG1 VAL 38 6.486 -4.032 3.530 315 3HG1 VAL 38 3HG1 VAL 38 5.064 -3.126 4.107 316 1HG2 VAL 38 1HG2 VAL 38 6.230 -0.402 3.129 317 2HG2 VAL 38 2HG2 VAL 38 5.392 -0.609 4.681 318 3HG2 VAL 38 3HG2 VAL 38 7.028 0.077 4.633 319 H GLU 39 H GLU 39 5.574 -4.368 6.309 320 HA GLU 39 HA GLU 39 7.583 -6.530 6.201 321 1HB GLU 39 1HB GLU 39 7.794 -5.489 8.432 322 2HB GLU 39 2HB GLU 39 6.078 -5.755 8.744 323 1HG GLU 39 1HG GLU 39 8.104 -7.968 8.147 324 2HG GLU 39 2HG GLU 39 7.694 -7.416 9.777 325 HE2 GLU 39 HE2 GLU 39 4.348 -8.709 9.590 326 H ILE 40 H ILE 40 6.598 -8.016 4.978 327 HA ILE 40 HA ILE 40 3.657 -8.426 5.217 328 HB ILE 40 HB ILE 40 5.562 -8.856 2.876 329 1HG1 ILE 40 1HG1 ILE 40 3.795 -7.521 1.666 330 2HG1 ILE 40 2HG1 ILE 40 3.016 -7.202 3.217 331 1HG2 ILE 40 1HG2 ILE 40 3.556 -9.766 1.680 332 2HG2 ILE 40 2HG2 ILE 40 4.072 -10.813 2.996 333 3HG2 ILE 40 3HG2 ILE 40 2.675 -9.746 3.221 334 1HD1 ILE 40 1HD1 ILE 40 5.865 -6.381 2.523 335 2HD1 ILE 40 2HD1 ILE 40 4.437 -5.356 2.273 336 3HD1 ILE 40 3HD1 ILE 40 4.888 -5.824 3.912 337 H GLN 41 H GLN 41 2.954 -10.479 5.724 338 HA GLN 41 HA GLN 41 4.872 -12.734 5.602 339 1HB GLN 41 1HB GLN 41 5.058 -11.971 7.907 340 2HB GLN 41 2HB GLN 41 3.297 -12.021 8.112 341 1HG GLN 41 1HG GLN 41 3.274 -14.448 7.798 342 2HG GLN 41 2HG GLN 41 4.995 -14.451 7.372 343 1HE2 GLN 41 1HE2 GLN 41 6.422 -13.312 9.178 344 2HE2 GLN 41 2HE2 GLN 41 6.078 -13.860 10.807 345 H GLN 42 H GLN 42 3.908 -14.614 4.973 346 HA GLN 42 HA GLN 42 0.940 -14.661 4.747 347 1HB GLN 42 1HB GLN 42 1.059 -15.831 2.744 348 2HB GLN 42 2HB GLN 42 2.235 -14.513 2.562 349 1HG GLN 42 1HG GLN 42 4.035 -16.208 3.158 350 2HG GLN 42 2HG GLN 42 2.791 -17.466 3.073 351 1HE2 GLN 42 1HE2 GLN 42 1.234 -16.882 0.911 352 2HE2 GLN 42 2HE2 GLN 42 2.202 -16.797 -0.543 353 H LYS 43 H LYS 43 0.052 -16.827 4.698 354 HA LYS 43 HA LYS 43 1.686 -18.990 5.732 355 1HB LYS 43 1HB LYS 43 0.668 -17.641 7.758 356 2HB LYS 43 2HB LYS 43 -0.859 -18.335 7.266 357 1HG LYS 43 1HG LYS 43 0.058 -19.702 9.005 358 2HG LYS 43 2HG LYS 43 0.141 -20.629 7.506 359 1HD LYS 43 1HD LYS 43 2.139 -20.934 8.869 360 2HD LYS 43 2HD LYS 43 2.570 -20.184 7.335 361 1HE LYS 43 1HE LYS 43 2.726 -17.962 8.472 362 2HE LYS 43 2HE LYS 43 2.229 -18.719 9.998 363 1HZ LYS 43 1HZ LYS 43 4.658 -19.314 8.458 364 2HZ LYS 43 2HZ LYS 43 4.575 -18.442 9.854 365 3HZ LYS 43 3HZ LYS 43 4.221 -20.052 9.866 366 H GLY 44 H GLY 44 1.017 -18.844 3.310 367 1HA GLY 44 1HA GLY 44 0.053 -20.493 1.840 368 2HA GLY 44 2HA GLY 44 -1.420 -20.504 2.820 369 H ASP 45 H ASP 45 -2.847 -19.808 1.241 370 HA ASP 45 HA ASP 45 -2.492 -17.694 -0.617 371 1HB ASP 45 1HB ASP 45 -5.041 -18.809 0.632 372 2HB ASP 45 2HB ASP 45 -4.958 -17.781 -0.804 373 HD2 ASP 45 HD2 ASP 45 -3.764 -21.658 -1.051 374 H ASP 46 H ASP 46 -3.610 -17.701 2.774 375 HA ASP 46 HA ASP 46 -4.472 -14.932 2.755 376 1HB ASP 46 1HB ASP 46 -5.384 -16.522 4.357 377 2HB ASP 46 2HB ASP 46 -3.758 -16.773 5.045 378 HD2 ASP 46 HD2 ASP 46 -5.859 -13.418 5.911 379 H PHE 47 H PHE 47 -3.317 -13.172 3.320 380 HA PHE 47 HA PHE 47 -0.881 -13.372 4.745 381 1HB PHE 47 1HB PHE 47 0.752 -12.519 3.268 382 2HB PHE 47 2HB PHE 47 0.005 -13.918 2.522 383 HD1 PHE 47 HD1 PHE 47 0.753 -10.392 2.137 384 HD2 PHE 47 HD2 PHE 47 -1.484 -13.721 0.565 385 HE1 PHE 47 HE1 PHE 47 1.157 -9.580 -0.169 386 HE2 PHE 47 HE2 PHE 47 -1.082 -12.899 -1.733 387 HZ PHE 47 HZ PHE 47 0.321 -10.896 -2.112 388 H VAL 48 H VAL 48 0.121 -11.416 5.306 389 HA VAL 48 HA VAL 48 -1.885 -9.246 5.633 390 HB VAL 48 HB VAL 48 -0.044 -10.488 7.714 391 1HG1 VAL 48 1HG1 VAL 48 -2.380 -8.572 8.120 392 2HG1 VAL 48 2HG1 VAL 48 -1.281 -9.195 9.357 393 3HG1 VAL 48 3HG1 VAL 48 -0.673 -8.074 8.134 394 1HG2 VAL 48 1HG2 VAL 48 -3.032 -10.891 7.260 395 2HG2 VAL 48 2HG2 VAL 48 -1.769 -12.135 7.195 396 3HG2 VAL 48 3HG2 VAL 48 -2.173 -11.370 8.737 397 H VAL 49 H VAL 49 -1.142 -7.241 5.632 398 HA VAL 49 HA VAL 49 1.732 -6.682 5.076 399 HB VAL 49 HB VAL 49 -0.783 -5.057 4.460 400 1HG1 VAL 49 1HG1 VAL 49 1.202 -3.637 4.804 401 2HG1 VAL 49 2HG1 VAL 49 2.130 -4.635 3.664 402 3HG1 VAL 49 3HG1 VAL 49 0.752 -3.670 3.094 403 1HG2 VAL 49 1HG2 VAL 49 -0.710 -7.056 3.030 404 2HG2 VAL 49 2HG2 VAL 49 -0.399 -5.580 2.107 405 3HG2 VAL 49 3HG2 VAL 49 0.945 -6.655 2.529 406 H THR 50 H THR 50 2.754 -5.667 6.722 407 HA THR 50 HA THR 50 1.186 -4.098 8.720 408 HB THR 50 HB THR 50 3.653 -5.811 9.208 409 HG1 THR 50 HG1 THR 50 0.911 -6.179 9.830 410 1HG2 THR 50 1HG2 THR 50 3.156 -5.354 11.596 411 2HG2 THR 50 2HG2 THR 50 3.549 -3.864 10.722 412 3HG2 THR 50 3HG2 THR 50 1.857 -4.246 11.118 413 H SER 51 H SER 51 1.974 -2.121 9.176 414 HA SER 51 HA SER 51 4.454 -1.176 7.872 415 1HB SER 51 1HB SER 51 1.719 0.165 7.819 416 2HB SER 51 2HB SER 51 3.233 0.860 7.193 417 HG SER 51 HG SER 51 3.338 -1.037 5.821 418 H LYS 52 H LYS 52 5.691 -0.034 9.214 419 HA LYS 52 HA LYS 52 4.575 0.957 11.805 420 1HB LYS 52 1HB LYS 52 5.806 -1.052 12.224 421 2HB LYS 52 2HB LYS 52 7.159 -0.523 11.215 422 1HG LYS 52 1HG LYS 52 7.687 1.293 12.780 423 2HG LYS 52 2HG LYS 52 6.258 0.901 13.757 424 1HD LYS 52 1HD LYS 52 7.205 -1.338 14.240 425 2HD LYS 52 2HD LYS 52 8.633 -0.945 13.253 426 1HE LYS 52 1HE LYS 52 9.138 0.970 14.771 427 2HE LYS 52 2HE LYS 52 7.725 0.551 15.759 428 1HZ LYS 52 1HZ LYS 52 10.054 -1.176 15.295 429 2HZ LYS 52 2HZ LYS 52 9.754 -0.312 16.665 430 3HZ LYS 52 3HZ LYS 52 8.751 -1.546 16.232 431 H THR 53 H THR 53 4.741 3.065 11.959 432 HA THR 53 HA THR 53 6.935 4.504 10.542 433 HB THR 53 HB THR 53 5.506 6.161 9.852 434 HG1 THR 53 HG1 THR 53 3.547 5.377 11.717 435 1HG2 THR 53 1HG2 THR 53 3.431 3.934 9.974 436 2HG2 THR 53 2HG2 THR 53 3.522 5.281 8.831 437 3HG2 THR 53 3HG2 THR 53 4.732 3.990 8.772 438 HA PRO 54 HA PRO 54 7.725 5.955 14.707 439 1HB PRO 54 1HB PRO 54 9.271 8.137 14.323 440 2HB PRO 54 2HB PRO 54 9.763 6.531 13.725 441 1HG PRO 54 1HG PRO 54 8.340 8.698 12.142 442 2HG PRO 54 2HG PRO 54 9.872 7.878 11.718 443 1HD PRO 54 1HD PRO 54 7.452 7.033 10.761 444 2HD PRO 54 2HD PRO 54 8.741 5.864 11.189 445 H ARG 55 H ARG 55 5.109 6.534 13.758 446 HA ARG 55 HA ARG 55 4.394 8.956 15.281 447 1HB ARG 55 1HB ARG 55 3.340 8.310 12.486 448 2HB ARG 55 2HB ARG 55 2.813 9.639 13.516 449 1HG ARG 55 1HG ARG 55 5.629 9.349 12.352 450 2HG ARG 55 2HG ARG 55 4.317 10.277 11.638 451 1HD ARG 55 1HD ARG 55 4.171 11.707 13.630 452 2HD ARG 55 2HD ARG 55 5.501 10.819 14.396 453 HE ARG 55 HE ARG 55 6.423 11.633 11.873 454 1HH1 ARG 55 1HH1 ARG 55 5.317 13.200 14.859 455 2HH1 ARG 55 2HH1 ARG 55 6.270 14.640 14.609 456 1HH2 ARG 55 1HH2 ARG 55 7.684 13.512 11.563 457 2HH2 ARG 55 2HH2 ARG 55 7.633 14.814 12.724 458 H GLN 56 H GLN 56 3.292 6.133 13.355 459 HA GLN 56 HA GLN 56 1.610 5.109 15.487 460 1HB GLN 56 1HB GLN 56 0.244 6.936 14.463 461 2HB GLN 56 2HB GLN 56 0.408 6.163 12.879 462 1HG GLN 56 1HG GLN 56 -0.892 4.238 13.652 463 2HG GLN 56 2HG GLN 56 -0.873 4.859 15.317 464 1HE2 GLN 56 1HE2 GLN 56 -3.194 4.853 15.387 465 2HE2 GLN 56 2HE2 GLN 56 -4.130 6.045 14.511 466 H THR 57 H THR 57 0.694 2.968 14.838 467 HA THR 57 HA THR 57 2.169 1.683 12.582 468 HB THR 57 HB THR 57 1.900 -0.393 13.816 469 HG1 THR 57 HG1 THR 57 0.994 1.243 15.953 470 1HG2 THR 57 1HG2 THR 57 3.281 1.727 15.511 471 2HG2 THR 57 2HG2 THR 57 3.614 -0.022 15.488 472 3HG2 THR 57 3HG2 THR 57 3.958 0.965 14.055 473 H VAL 58 H VAL 58 1.027 0.325 11.241 474 HA VAL 58 HA VAL 58 -1.907 0.188 11.451 475 HB VAL 58 HB VAL 58 -0.405 1.292 9.028 476 1HG1 VAL 58 1HG1 VAL 58 -2.296 -0.055 8.264 477 2HG1 VAL 58 2HG1 VAL 58 -3.370 0.717 9.452 478 3HG1 VAL 58 3HG1 VAL 58 -2.710 1.648 8.094 479 1HG2 VAL 58 1HG2 VAL 58 -2.355 2.641 10.945 480 2HG2 VAL 58 2HG2 VAL 58 -0.634 3.040 10.732 481 3HG2 VAL 58 3HG2 VAL 58 -1.776 3.346 9.423 482 H THR 59 H THR 59 -2.763 -1.654 10.386 483 HA THR 59 HA THR 59 -1.014 -3.270 8.719 484 HB THR 59 HB THR 59 -0.540 -3.911 11.123 485 HG1 THR 59 HG1 THR 59 -1.632 -5.895 9.426 486 1HG2 THR 59 1HG2 THR 59 -2.860 -3.718 12.007 487 2HG2 THR 59 2HG2 THR 59 -3.322 -5.148 11.055 488 3HG2 THR 59 3HG2 THR 59 -2.110 -5.290 12.340 489 H ASN 60 H ASN 60 -2.177 -4.977 7.598 490 HA ASN 60 HA ASN 60 -5.077 -5.100 7.846 491 1HB ASN 60 1HB ASN 60 -4.890 -3.170 6.340 492 2HB ASN 60 2HB ASN 60 -3.723 -4.053 5.333 493 1HD2 ASN 60 1HD2 ASN 60 -7.039 -4.603 6.720 494 2HD2 ASN 60 2HD2 ASN 60 -7.694 -5.280 5.243 495 H SER 61 H SER 61 -5.954 -6.863 6.761 496 HA SER 61 HA SER 61 -4.059 -8.990 5.902 497 1HB SER 61 1HB SER 61 -5.581 -10.576 7.062 498 2HB SER 61 2HB SER 61 -4.815 -9.426 8.177 499 HG SER 61 HG SER 61 -7.073 -9.666 8.532 500 H PHE 62 H PHE 62 -4.787 -10.431 4.316 501 HA PHE 62 HA PHE 62 -7.460 -10.376 3.252 502 1HB PHE 62 1HB PHE 62 -6.745 -9.599 0.947 503 2HB PHE 62 2HB PHE 62 -6.859 -8.366 2.180 504 HD1 PHE 62 HD1 PHE 62 -5.167 -6.794 2.319 505 HD2 PHE 62 HD2 PHE 62 -4.249 -10.672 0.677 506 HE1 PHE 62 HE1 PHE 62 -2.893 -6.012 1.743 507 HE2 PHE 62 HE2 PHE 62 -2.032 -9.863 0.020 508 HZ PHE 62 HZ PHE 62 -1.329 -7.534 0.530 509 H THR 63 H THR 63 -7.323 -11.613 0.973 510 HA THR 63 HA THR 63 -5.325 -13.792 1.101 511 HB THR 63 HB THR 63 -8.349 -14.157 0.881 512 HG1 THR 63 HG1 THR 63 -8.082 -15.188 2.885 513 1HG2 THR 63 1HG2 THR 63 -7.811 -16.583 0.995 514 2HG2 THR 63 2HG2 THR 63 -7.126 -15.841 -0.458 515 3HG2 THR 63 3HG2 THR 63 -6.082 -16.195 0.934 516 H LEU 64 H LEU 64 -4.572 -14.376 -0.856 517 HA LEU 64 HA LEU 64 -5.250 -12.710 -3.097 518 1HB LEU 64 1HB LEU 64 -3.501 -13.827 -4.265 519 2HB LEU 64 2HB LEU 64 -3.014 -13.499 -2.608 520 HG LEU 64 HG LEU 64 -3.843 -16.033 -2.237 521 1HD1 LEU 64 1HD1 LEU 64 -3.201 -17.429 -4.173 522 2HD1 LEU 64 2HD1 LEU 64 -4.521 -16.354 -4.652 523 3HD1 LEU 64 3HD1 LEU 64 -2.859 -15.978 -5.135 524 1HD2 LEU 64 1HD2 LEU 64 -1.468 -16.727 -2.648 525 2HD2 LEU 64 2HD2 LEU 64 -1.174 -15.147 -3.404 526 3HD2 LEU 64 3HD2 LEU 64 -1.616 -15.251 -1.684 527 H GLY 65 H GLY 65 -6.375 -13.164 -4.940 528 1HA GLY 65 1HA GLY 65 -7.325 -14.716 -6.523 529 2HA GLY 65 2HA GLY 65 -7.811 -15.778 -5.199 530 H LYS 66 H LYS 66 -8.787 -13.638 -3.441 531 HA LYS 66 HA LYS 66 -11.337 -12.974 -4.853 532 1HB LYS 66 1HB LYS 66 -10.819 -14.881 -2.736 533 2HB LYS 66 2HB LYS 66 -11.720 -13.546 -2.041 534 1HG LYS 66 1HG LYS 66 -13.265 -15.205 -2.789 535 2HG LYS 66 2HG LYS 66 -13.440 -13.795 -3.848 536 1HD LYS 66 1HD LYS 66 -12.110 -14.935 -5.603 537 2HD LYS 66 2HD LYS 66 -11.807 -16.302 -4.508 538 1HE LYS 66 1HE LYS 66 -14.208 -16.827 -4.456 539 2HE LYS 66 2HE LYS 66 -14.570 -15.394 -5.437 540 1HZ LYS 66 1HZ LYS 66 -14.516 -17.376 -6.749 541 2HZ LYS 66 2HZ LYS 66 -13.314 -16.352 -7.213 542 3HZ LYS 66 3HZ LYS 66 -12.958 -17.686 -6.313 543 H GLU 67 H GLU 67 -12.736 -11.572 -3.240 544 HA GLU 67 HA GLU 67 -11.324 -9.059 -3.054 545 1HB GLU 67 1HB GLU 67 -14.135 -9.912 -2.261 546 2HB GLU 67 2HB GLU 67 -13.544 -8.244 -2.211 547 1HG GLU 67 1HG GLU 67 -13.155 -8.229 -4.607 548 2HG GLU 67 2HG GLU 67 -13.652 -9.927 -4.754 549 HE2 GLU 67 HE2 GLU 67 -17.088 -9.101 -4.023 550 H ALA 68 H ALA 68 -11.156 -7.755 -1.220 551 HA ALA 68 HA ALA 68 -11.714 -8.826 1.435 552 1HB ALA 68 1HB ALA 68 -9.418 -9.703 1.046 553 2HB ALA 68 2HB ALA 68 -8.871 -8.052 0.660 554 3HB ALA 68 3HB ALA 68 -9.433 -8.441 2.296 555 H ASP 69 H ASP 69 -11.850 -7.171 2.985 556 HA ASP 69 HA ASP 69 -12.152 -4.447 1.922 557 1HB ASP 69 1HB ASP 69 -13.880 -5.403 3.394 558 2HB ASP 69 2HB ASP 69 -12.687 -5.585 4.692 559 HD2 ASP 69 HD2 ASP 69 -12.583 -2.130 5.424 560 H ILE 70 H ILE 70 -10.820 -2.772 2.418 561 HA ILE 70 HA ILE 70 -8.517 -3.197 4.251 562 HB ILE 70 HB ILE 70 -8.420 -1.850 1.518 563 1HG1 ILE 70 1HG1 ILE 70 -7.561 -4.599 2.483 564 2HG1 ILE 70 2HG1 ILE 70 -8.577 -4.180 1.105 565 1HG2 ILE 70 1HG2 ILE 70 -6.229 -2.378 3.565 566 2HG2 ILE 70 2HG2 ILE 70 -5.992 -1.679 1.948 567 3HG2 ILE 70 3HG2 ILE 70 -6.913 -0.795 3.144 568 1HD1 ILE 70 1HD1 ILE 70 -6.559 -3.142 0.007 569 2HD1 ILE 70 2HD1 ILE 70 -5.570 -3.814 1.333 570 3HD1 ILE 70 3HD1 ILE 70 -6.466 -4.899 0.265 571 H THR 71 H THR 71 -7.887 -1.338 5.363 572 HA THR 71 HA THR 71 -9.822 0.943 5.332 573 HB THR 71 HB THR 71 -8.337 -0.326 7.660 574 HG1 THR 71 HG1 THR 71 -10.454 -0.859 8.280 575 1HG2 THR 71 1HG2 THR 71 -10.271 2.045 7.551 576 2HG2 THR 71 2HG2 THR 71 -9.703 1.258 9.038 577 3HG2 THR 71 3HG2 THR 71 -8.551 2.114 8.004 578 H THR 72 H THR 72 -8.967 2.929 5.060 579 HA THR 72 HA THR 72 -6.305 3.217 4.141 580 HB THR 72 HB THR 72 -8.350 5.308 4.979 581 HG1 THR 72 HG1 THR 72 -7.726 4.105 2.497 582 1HG2 THR 72 1HG2 THR 72 -5.862 5.545 3.224 583 2HG2 THR 72 2HG2 THR 72 -7.126 6.777 3.408 584 3HG2 THR 72 3HG2 THR 72 -6.117 6.344 4.793 585 H MET 73 H MET 73 -7.579 5.142 6.857 586 HA MET 73 HA MET 73 -5.359 4.388 8.640 587 1HB MET 73 1HB MET 73 -5.684 7.213 7.512 588 2HB MET 73 2HB MET 73 -4.758 6.803 8.963 589 1HG MET 73 1HG MET 73 -3.311 5.305 7.580 590 2HG MET 73 2HG MET 73 -4.191 5.834 6.142 591 1HE MET 73 1HE MET 73 -1.509 6.607 8.758 592 2HE MET 73 2HE MET 73 -1.156 8.333 8.521 593 3HE MET 73 3HE MET 73 -2.677 7.838 9.297 594 H ASP 74 H ASP 74 -7.700 7.064 8.226 595 HA ASP 74 HA ASP 74 -8.293 7.270 10.996 596 1HB ASP 74 1HB ASP 74 -8.439 9.170 9.511 597 2HB ASP 74 2HB ASP 74 -9.619 8.360 8.479 598 HD2 ASP 74 HD2 ASP 74 -12.096 10.023 10.201 599 H GLY 75 H GLY 75 -10.631 6.535 8.395 600 1HA GLY 75 1HA GLY 75 -11.682 4.108 9.393 601 2HA GLY 75 2HA GLY 75 -12.638 5.450 10.069 602 H LYS 76 H LYS 76 -10.969 4.912 6.960 603 HA LYS 76 HA LYS 76 -13.447 5.603 5.417 604 1HB LYS 76 1HB LYS 76 -10.525 6.326 4.921 605 2HB LYS 76 2HB LYS 76 -11.858 6.593 3.781 606 1HG LYS 76 1HG LYS 76 -12.959 8.114 5.356 607 2HG LYS 76 2HG LYS 76 -11.765 7.760 6.602 608 1HD LYS 76 1HD LYS 76 -11.305 9.915 5.570 609 2HD LYS 76 2HD LYS 76 -9.974 8.780 5.347 610 1HE LYS 76 1HE LYS 76 -10.439 10.152 3.329 611 2HE LYS 76 2HE LYS 76 -10.571 8.418 3.015 612 1HZ LYS 76 1HZ LYS 76 -12.942 8.629 3.183 613 2HZ LYS 76 2HZ LYS 76 -12.826 10.242 3.510 614 3HZ LYS 76 3HZ LYS 76 -12.357 9.660 2.040 615 H LYS 77 H LYS 77 -13.799 3.260 5.625 616 HA LYS 77 HA LYS 77 -11.842 1.444 4.583 617 1HB LYS 77 1HB LYS 77 -13.499 -0.290 4.940 618 2HB LYS 77 2HB LYS 77 -13.263 0.739 6.359 619 1HG LYS 77 1HG LYS 77 -15.367 1.920 5.905 620 2HG LYS 77 2HG LYS 77 -15.595 1.001 4.402 621 1HD LYS 77 1HD LYS 77 -15.723 -1.099 5.668 622 2HD LYS 77 2HD LYS 77 -15.388 -0.232 7.183 623 1HE LYS 77 1HE LYS 77 -17.477 1.069 6.913 624 2HE LYS 77 2HE LYS 77 -17.826 0.216 5.397 625 1HZ LYS 77 1HZ LYS 77 -18.012 -1.800 6.601 626 2HZ LYS 77 2HZ LYS 77 -17.533 -1.091 8.011 627 3HZ LYS 77 3HZ LYS 77 -18.975 -0.677 7.328 628 H LEU 78 H LEU 78 -11.961 0.073 2.834 629 HA LEU 78 HA LEU 78 -13.674 0.691 0.531 630 1HB LEU 78 1HB LEU 78 -11.738 1.035 -0.920 631 2HB LEU 78 2HB LEU 78 -11.851 2.313 0.280 632 HG LEU 78 HG LEU 78 -10.053 -0.055 0.877 633 1HD1 LEU 78 1HD1 LEU 78 -9.502 0.517 -1.437 634 2HD1 LEU 78 2HD1 LEU 78 -9.339 2.232 -0.994 635 3HD1 LEU 78 3HD1 LEU 78 -8.208 1.027 -0.339 636 1HD2 LEU 78 1HD2 LEU 78 -10.289 1.738 2.602 637 2HD2 LEU 78 2HD2 LEU 78 -8.662 1.711 1.933 638 3HD2 LEU 78 3HD2 LEU 78 -9.818 2.948 1.396 639 H LYS 79 H LYS 79 -12.739 -0.868 -1.353 640 HA LYS 79 HA LYS 79 -11.527 -3.302 -0.400 641 1HB LYS 79 1HB LYS 79 -13.347 -4.811 -0.953 642 2HB LYS 79 2HB LYS 79 -13.793 -3.779 0.397 643 1HG LYS 79 1HG LYS 79 -14.695 -3.216 -2.471 644 2HG LYS 79 2HG LYS 79 -15.549 -4.286 -1.357 645 1HD LYS 79 1HD LYS 79 -15.684 -2.369 0.294 646 2HD LYS 79 2HD LYS 79 -15.098 -1.300 -1.002 647 1HE LYS 79 1HE LYS 79 -17.010 -1.922 -2.419 648 2HE LYS 79 2HE LYS 79 -17.592 -3.043 -1.174 649 1HZ LYS 79 1HZ LYS 79 -18.735 -0.975 -1.066 650 2HZ LYS 79 2HZ LYS 79 -17.840 -1.185 0.302 651 3HZ LYS 79 3HZ LYS 79 -17.329 -0.138 -0.863 652 H CYS 80 H CYS 80 -11.117 -4.821 -2.104 653 HA CYS 80 HA CYS 80 -11.657 -4.128 -4.865 654 1HB CYS 80 1HB CYS 80 -9.305 -3.875 -5.529 655 2HB CYS 80 2HB CYS 80 -9.722 -2.612 -4.357 656 HG CYS 80 HG CYS 80 -8.223 -5.504 -3.805 657 H THR 81 H THR 81 -10.835 -5.821 -6.322 658 HA THR 81 HA THR 81 -10.955 -8.467 -5.130 659 HB THR 81 HB THR 81 -10.307 -7.684 -7.992 660 HG1 THR 81 HG1 THR 81 -12.780 -8.220 -6.720 661 1HG2 THR 81 1HG2 THR 81 -9.785 -10.057 -7.397 662 2HG2 THR 81 2HG2 THR 81 -11.412 -10.243 -6.723 663 3HG2 THR 81 3HG2 THR 81 -11.200 -9.958 -8.461 664 H VAL 82 H VAL 82 -9.218 -8.936 -3.830 665 HA VAL 82 HA VAL 82 -6.499 -8.158 -4.495 666 HB VAL 82 HB VAL 82 -7.549 -10.043 -2.355 667 1HG1 VAL 82 1HG1 VAL 82 -4.897 -8.585 -2.447 668 2HG1 VAL 82 2HG1 VAL 82 -5.450 -9.816 -1.301 669 3HG1 VAL 82 3HG1 VAL 82 -5.077 -10.277 -2.960 670 1HG2 VAL 82 1HG2 VAL 82 -6.928 -7.062 -2.344 671 2HG2 VAL 82 2HG2 VAL 82 -8.481 -7.840 -1.970 672 3HG2 VAL 82 3HG2 VAL 82 -7.102 -8.038 -0.878 673 H HIS 83 H HIS 83 -5.884 -9.076 -6.482 674 HA HIS 83 HA HIS 83 -5.519 -12.002 -6.429 675 1HB HIS 83 1HB HIS 83 -6.077 -12.214 -8.753 676 2HB HIS 83 2HB HIS 83 -7.466 -11.669 -7.821 677 HD1 HIS 83 HD1 HIS 83 -8.007 -8.961 -8.070 678 HD2 HIS 83 HD2 HIS 83 -5.442 -10.726 -10.925 679 HE1 HIS 83 HE1 HIS 83 -8.058 -7.482 -10.153 680 HE2 HIS 83 HE2 HIS 83 -6.473 -8.522 -11.880 681 H LEU 84 H LEU 84 -3.809 -12.720 -7.700 682 HA LEU 84 HA LEU 84 -1.629 -10.718 -7.989 683 1HB LEU 84 1HB LEU 84 -1.769 -11.668 -5.729 684 2HB LEU 84 2HB LEU 84 -1.620 -13.306 -6.367 685 HG LEU 84 HG LEU 84 0.517 -11.348 -7.157 686 1HD1 LEU 84 1HD1 LEU 84 0.162 -10.732 -4.811 687 2HD1 LEU 84 2HD1 LEU 84 0.262 -12.439 -4.335 688 3HD1 LEU 84 3HD1 LEU 84 1.693 -11.605 -4.996 689 1HD2 LEU 84 1HD2 LEU 84 1.970 -13.312 -6.722 690 2HD2 LEU 84 2HD2 LEU 84 0.570 -14.233 -6.155 691 3HD2 LEU 84 3HD2 LEU 84 0.669 -13.721 -7.854 692 H ALA 85 H ALA 85 -0.319 -11.047 -9.646 693 HA ALA 85 HA ALA 85 -0.711 -13.442 -11.398 694 1HB ALA 85 1HB ALA 85 -0.477 -11.875 -13.272 695 2HB ALA 85 2HB ALA 85 -1.851 -11.444 -12.234 696 3HB ALA 85 3HB ALA 85 -0.344 -10.510 -12.136 697 H ASN 86 H ASN 86 1.091 -14.501 -10.503 698 HA ASN 86 HA ASN 86 3.228 -15.179 -10.417 699 1HB ASN 86 1HB ASN 86 2.817 -14.913 -12.884 700 2HB ASN 86 2HB ASN 86 3.698 -13.384 -12.832 701 1HD2 ASN 86 1HD2 ASN 86 6.003 -13.536 -11.921 702 2HD2 ASN 86 2HD2 ASN 86 6.917 -14.981 -12.322 703 H GLY 87 H GLY 87 3.154 -13.859 -8.373 704 1HA GLY 87 1HA GLY 87 4.329 -12.701 -6.805 705 2HA GLY 87 2HA GLY 87 5.677 -12.648 -7.945 706 H LYS 88 H LYS 88 2.479 -11.211 -8.617 707 HA LYS 88 HA LYS 88 3.394 -8.496 -7.927 708 1HB LYS 88 1HB LYS 88 2.457 -9.251 -10.737 709 2HB LYS 88 2HB LYS 88 2.832 -7.626 -10.145 710 1HG LYS 88 1HG LYS 88 5.187 -8.376 -9.732 711 2HG LYS 88 2HG LYS 88 4.790 -9.939 -10.472 712 1HD LYS 88 1HD LYS 88 4.157 -8.820 -12.575 713 2HD LYS 88 2HD LYS 88 4.630 -7.258 -11.901 714 1HE LYS 88 1HE LYS 88 6.436 -9.678 -12.377 715 2HE LYS 88 2HE LYS 88 6.428 -8.162 -13.295 716 1HZ LYS 88 1HZ LYS 88 7.126 -7.033 -11.285 717 2HZ LYS 88 2HZ LYS 88 7.187 -8.463 -10.466 718 3HZ LYS 88 3HZ LYS 88 8.196 -8.204 -11.726 719 H LEU 89 H LEU 89 1.759 -7.742 -6.701 720 HA LEU 89 HA LEU 89 -0.906 -8.902 -6.826 721 1HB LEU 89 1HB LEU 89 0.169 -8.242 -4.671 722 2HB LEU 89 2HB LEU 89 0.234 -6.574 -5.251 723 HG LEU 89 HG LEU 89 -2.326 -6.689 -5.463 724 1HD1 LEU 89 1HD1 LEU 89 -3.497 -8.361 -4.180 725 2HD1 LEU 89 2HD1 LEU 89 -2.460 -9.230 -5.306 726 3HD1 LEU 89 3HD1 LEU 89 -1.979 -9.090 -3.610 727 1HD2 LEU 89 1HD2 LEU 89 -2.664 -6.235 -3.074 728 2HD2 LEU 89 2HD2 LEU 89 -1.084 -6.963 -2.698 729 3HD2 LEU 89 3HD2 LEU 89 -1.175 -5.475 -3.663 730 H VAL 90 H VAL 90 -2.549 -8.093 -8.068 731 HA VAL 90 HA VAL 90 -2.387 -5.321 -9.146 732 HB VAL 90 HB VAL 90 -2.758 -7.866 -10.791 733 1HG1 VAL 90 1HG1 VAL 90 -4.343 -6.130 -11.556 734 2HG1 VAL 90 2HG1 VAL 90 -3.025 -4.939 -11.614 735 3HG1 VAL 90 3HG1 VAL 90 -3.031 -6.329 -12.720 736 1HG2 VAL 90 1HG2 VAL 90 -0.642 -5.667 -10.883 737 2HG2 VAL 90 2HG2 VAL 90 -0.383 -7.364 -10.424 738 3HG2 VAL 90 3HG2 VAL 90 -0.821 -6.962 -12.085 739 H THR 91 H THR 91 -4.201 -4.424 -8.380 740 HA THR 91 HA THR 91 -6.746 -5.990 -8.445 741 HB THR 91 HB THR 91 -7.373 -5.126 -6.334 742 HG1 THR 91 HG1 THR 91 -4.983 -3.618 -6.372 743 1HG2 THR 91 1HG2 THR 91 -4.414 -5.748 -5.924 744 2HG2 THR 91 2HG2 THR 91 -5.742 -5.976 -4.782 745 3HG2 THR 91 3HG2 THR 91 -5.627 -6.999 -6.239 746 H LYS 92 H LYS 92 -8.660 -4.562 -8.538 747 HA LYS 92 HA LYS 92 -8.271 -1.746 -8.887 748 1HB LYS 92 1HB LYS 92 -7.760 -2.495 -11.203 749 2HB LYS 92 2HB LYS 92 -9.346 -3.280 -11.293 750 1HG LYS 92 1HG LYS 92 -10.466 -1.094 -11.050 751 2HG LYS 92 2HG LYS 92 -8.917 -0.315 -10.689 752 1HD LYS 92 1HD LYS 92 -9.512 0.241 -12.923 753 2HD LYS 92 2HD LYS 92 -8.128 -0.861 -12.998 754 1HE LYS 92 1HE LYS 92 -9.688 -2.745 -13.533 755 2HE LYS 92 2HE LYS 92 -11.063 -1.628 -13.409 756 1HZ LYS 92 1HZ LYS 92 -10.126 -0.389 -15.227 757 2HZ LYS 92 2HZ LYS 92 -8.869 -1.450 -15.349 758 3HZ LYS 92 3HZ LYS 92 -10.407 -1.956 -15.658 759 H SER 93 H SER 93 -10.084 -0.655 -8.399 760 HA SER 93 HA SER 93 -12.704 -2.025 -8.152 761 1HB SER 93 1HB SER 93 -11.513 -2.054 -5.950 762 2HB SER 93 2HB SER 93 -11.398 -0.289 -6.000 763 HG SER 93 HG SER 93 -13.201 -1.199 -4.807 764 H GLU 94 H GLU 94 -14.421 -0.246 -7.791 765 HA GLU 94 HA GLU 94 -13.994 1.783 -9.880 766 1HB GLU 94 1HB GLU 94 -16.436 1.005 -8.264 767 2HB GLU 94 2HB GLU 94 -16.397 2.166 -9.611 768 1HG GLU 94 1HG GLU 94 -15.631 0.384 -11.150 769 2HG GLU 94 2HG GLU 94 -15.655 -0.790 -9.825 770 HE2 GLU 94 HE2 GLU 94 -19.205 0.567 -11.276 771 H LYS 95 H LYS 95 -12.356 2.388 -7.985 772 HA LYS 95 HA LYS 95 -12.759 5.030 -7.377 773 1HB LYS 95 1HB LYS 95 -14.188 3.518 -5.427 774 2HB LYS 95 2HB LYS 95 -12.701 3.973 -4.623 775 1HG LYS 95 1HG LYS 95 -14.618 5.884 -6.022 776 2HG LYS 95 2HG LYS 95 -14.499 5.596 -4.279 777 1HD LYS 95 1HD LYS 95 -12.134 6.444 -4.312 778 2HD LYS 95 2HD LYS 95 -12.296 6.783 -6.042 779 1HE LYS 95 1HE LYS 95 -12.603 8.831 -4.861 780 2HE LYS 95 2HE LYS 95 -14.141 8.358 -5.600 781 1HZ LYS 95 1HZ LYS 95 -13.388 7.971 -2.784 782 2HZ LYS 95 2HZ LYS 95 -14.408 9.133 -3.364 783 3HZ LYS 95 3HZ LYS 95 -14.834 7.545 -3.456 784 H PHE 96 H PHE 96 -11.015 2.016 -6.873 785 HA PHE 96 HA PHE 96 -8.573 3.477 -6.090 786 1HB PHE 96 1HB PHE 96 -9.929 2.963 -4.042 787 2HB PHE 96 2HB PHE 96 -9.874 1.258 -4.460 788 HD1 PHE 96 HD1 PHE 96 -7.889 -0.078 -3.967 789 HD2 PHE 96 HD2 PHE 96 -7.863 4.188 -3.361 790 HE1 PHE 96 HE1 PHE 96 -5.929 -0.290 -2.481 791 HE2 PHE 96 HE2 PHE 96 -5.904 3.969 -1.864 792 HZ PHE 96 HZ PHE 96 -4.945 1.722 -1.396 793 H SER 97 H SER 97 -6.655 2.088 -6.088 794 HA SER 97 HA SER 97 -6.892 -0.597 -7.229 795 1HB SER 97 1HB SER 97 -6.705 0.846 -9.258 796 2HB SER 97 2HB SER 97 -5.223 1.562 -8.586 797 HG SER 97 HG SER 97 -5.585 -1.173 -9.213 798 H HIS 98 H HIS 98 -5.216 -1.871 -6.549 799 HA HIS 98 HA HIS 98 -3.006 -0.710 -4.923 800 1HB HIS 98 1HB HIS 98 -5.021 -1.974 -3.793 801 2HB HIS 98 2HB HIS 98 -4.203 -3.432 -4.355 802 HD1 HIS 98 HD1 HIS 98 -1.423 -3.299 -3.533 803 HD2 HIS 98 HD2 HIS 98 -4.515 -1.574 -1.245 804 HE1 HIS 98 HE1 HIS 98 -0.592 -3.150 -1.120 805 HE2 HIS 98 HE2 HIS 98 -2.457 -2.070 0.273 806 H GLU 99 H GLU 99 -1.315 -0.869 -6.364 807 HA GLU 99 HA GLU 99 -0.983 -3.339 -8.021 808 1HB GLU 99 1HB GLU 99 -1.752 -1.414 -9.310 809 2HB GLU 99 2HB GLU 99 -0.427 -0.427 -8.682 810 1HG GLU 99 1HG GLU 99 1.212 -2.008 -9.766 811 2HG GLU 99 2HG GLU 99 -0.156 -2.934 -10.404 812 HE2 GLU 99 HE2 GLU 99 -0.974 -0.524 -12.833 813 H GLN 100 H GLN 100 0.507 -4.413 -6.681 814 HA GLN 100 HA GLN 100 2.999 -2.935 -5.880 815 1HB GLN 100 1HB GLN 100 1.127 -4.730 -4.346 816 2HB GLN 100 2HB GLN 100 2.856 -4.905 -4.078 817 1HG GLN 100 1HG GLN 100 1.947 -3.404 -2.438 818 2HG GLN 100 2HG GLN 100 3.070 -2.543 -3.495 819 1HE2 GLN 100 1HE2 GLN 100 1.906 -0.587 -2.569 820 2HE2 GLN 100 2HE2 GLN 100 0.426 -0.092 -3.363 821 H GLU 101 H GLU 101 4.616 -3.675 -7.161 822 HA GLU 101 HA GLU 101 4.608 -6.563 -7.907 823 1HB GLU 101 1HB GLU 101 5.407 -6.048 -10.070 824 2HB GLU 101 2HB GLU 101 3.962 -5.084 -9.775 825 1HG GLU 101 1HG GLU 101 5.434 -3.632 -10.869 826 2HG GLU 101 2HG GLU 101 5.528 -3.148 -9.176 827 HE2 GLU 101 HE2 GLU 101 8.696 -5.037 -10.920 828 H VAL 102 H VAL 102 6.572 -7.612 -8.013 829 HA VAL 102 HA VAL 102 8.750 -6.339 -6.415 830 HB VAL 102 HB VAL 102 7.471 -9.092 -6.301 831 1HG1 VAL 102 1HG1 VAL 102 10.080 -8.180 -5.027 832 2HG1 VAL 102 2HG1 VAL 102 9.159 -9.608 -4.517 833 3HG1 VAL 102 3HG1 VAL 102 9.830 -9.549 -6.144 834 1HG2 VAL 102 1HG2 VAL 102 7.948 -6.904 -4.234 835 2HG2 VAL 102 2HG2 VAL 102 6.381 -7.313 -4.971 836 3HG2 VAL 102 3HG2 VAL 102 7.204 -8.466 -3.905 837 H LYS 103 H LYS 103 10.836 -6.923 -6.835 838 HA LYS 103 HA LYS 103 11.475 -8.415 -9.291 839 1HB LYS 103 1HB LYS 103 11.625 -5.734 -9.270 840 2HB LYS 103 2HB LYS 103 13.108 -6.037 -8.380 841 1HG LYS 103 1HG LYS 103 13.698 -5.757 -10.654 842 2HG LYS 103 2HG LYS 103 13.842 -7.498 -10.395 843 1HD LYS 103 1HD LYS 103 11.611 -7.835 -11.440 844 2HD LYS 103 2HD LYS 103 11.480 -6.082 -11.694 845 1HE LYS 103 1HE LYS 103 13.520 -6.133 -13.106 846 2HE LYS 103 2HE LYS 103 13.692 -7.874 -12.810 847 1HZ LYS 103 1HZ LYS 103 12.666 -7.446 -14.894 848 2HZ LYS 103 2HZ LYS 103 11.595 -8.203 -13.899 849 3HZ LYS 103 3HZ LYS 103 11.448 -6.585 -14.193 850 H GLY 104 H GLY 104 14.377 -8.014 -8.693 851 1HA GLY 104 1HA GLY 104 14.764 -10.398 -7.245 852 2HA GLY 104 2HA GLY 104 16.014 -9.233 -7.696 853 H ASN 105 H ASN 105 15.694 -7.069 -6.339 854 HA ASN 105 HA ASN 105 15.214 -7.662 -3.462 855 1HB ASN 105 1HB ASN 105 17.314 -6.745 -2.798 856 2HB ASN 105 2HB ASN 105 17.639 -8.017 -3.976 857 1HD2 ASN 105 1HD2 ASN 105 18.067 -7.301 -6.277 858 2HD2 ASN 105 2HD2 ASN 105 18.843 -5.749 -6.523 859 H GLU 106 H GLU 106 13.815 -6.095 -5.676 860 HA GLU 106 HA GLU 106 13.501 -3.600 -4.162 861 1HB GLU 106 1HB GLU 106 15.249 -3.302 -6.000 862 2HB GLU 106 2HB GLU 106 13.939 -3.545 -7.170 863 1HG GLU 106 1HG GLU 106 12.772 -1.561 -6.292 864 2HG GLU 106 2HG GLU 106 13.923 -1.448 -4.948 865 HE2 GLU 106 HE2 GLU 106 15.128 -0.292 -8.647 866 H MET 107 H MET 107 11.488 -2.541 -4.626 867 HA MET 107 HA MET 107 9.404 -4.156 -5.981 868 1HB MET 107 1HB MET 107 9.520 -5.023 -3.731 869 2HB MET 107 2HB MET 107 9.541 -3.395 -3.028 870 1HG MET 107 1HG MET 107 7.204 -3.068 -3.831 871 2HG MET 107 2HG MET 107 7.242 -4.697 -4.513 872 1HE MET 107 1HE MET 107 4.806 -5.488 -1.731 873 2HE MET 107 2HE MET 107 4.865 -4.159 -2.914 874 3HE MET 107 3HE MET 107 5.303 -5.809 -3.409 875 H VAL 108 H VAL 108 7.901 -2.871 -6.940 876 HA VAL 108 HA VAL 108 7.947 0.053 -6.348 877 HB VAL 108 HB VAL 108 6.898 -1.382 -8.796 878 1HG1 VAL 108 1HG1 VAL 108 7.080 1.582 -8.176 879 2HG1 VAL 108 2HG1 VAL 108 6.674 0.864 -9.749 880 3HG1 VAL 108 3HG1 VAL 108 5.601 0.614 -8.366 881 1HG2 VAL 108 1HG2 VAL 108 8.801 -0.335 -9.962 882 2HG2 VAL 108 2HG2 VAL 108 9.356 0.398 -8.444 883 3HG2 VAL 108 3HG2 VAL 108 9.420 -1.356 -8.657 884 H GLU 109 H GLU 109 6.365 0.790 -5.194 885 HA GLU 109 HA GLU 109 3.910 -0.813 -4.679 886 1HB GLU 109 1HB GLU 109 5.360 1.269 -2.990 887 2HB GLU 109 2HB GLU 109 3.881 0.400 -2.534 888 1HG GLU 109 1HG GLU 109 5.184 -1.748 -2.692 889 2HG GLU 109 2HG GLU 109 6.647 -0.807 -3.029 890 HE2 GLU 109 HE2 GLU 109 6.529 -1.580 0.555 891 H THR 110 H THR 110 2.671 -0.007 -6.403 892 HA THR 110 HA THR 110 2.221 2.930 -6.516 893 HB THR 110 HB THR 110 1.606 0.735 -8.520 894 HG1 THR 110 HG1 THR 110 3.284 1.754 -9.643 895 1HG2 THR 110 1HG2 THR 110 1.319 3.767 -8.737 896 2HG2 THR 110 2HG2 THR 110 1.126 2.607 -10.064 897 3HG2 THR 110 3HG2 THR 110 -0.021 2.599 -8.716 898 H ILE 111 H ILE 111 0.292 3.760 -5.946 899 HA ILE 111 HA ILE 111 -2.070 1.973 -5.593 900 HB ILE 111 HB ILE 111 -1.224 4.263 -3.793 901 1HG1 ILE 111 1HG1 ILE 111 0.014 2.236 -3.223 902 2HG1 ILE 111 2HG1 ILE 111 -1.086 2.767 -1.954 903 1HG2 ILE 111 1HG2 ILE 111 -3.568 4.465 -3.950 904 2HG2 ILE 111 2HG2 ILE 111 -3.809 2.715 -3.827 905 3HG2 ILE 111 3HG2 ILE 111 -3.245 3.649 -2.424 906 1HD1 ILE 111 1HD1 ILE 111 -2.744 1.016 -2.709 907 2HD1 ILE 111 2HD1 ILE 111 -1.509 0.451 -3.858 908 3HD1 ILE 111 3HD1 ILE 111 -1.208 0.375 -2.114 909 H THR 112 H THR 112 -4.037 3.031 -6.153 910 HA THR 112 HA THR 112 -3.853 5.849 -7.012 911 HB THR 112 HB THR 112 -5.250 3.740 -8.697 912 HG1 THR 112 HG1 THR 112 -2.932 3.835 -8.892 913 1HG2 THR 112 1HG2 THR 112 -5.619 5.586 -10.287 914 2HG2 THR 112 2HG2 THR 112 -6.455 5.885 -8.759 915 3HG2 THR 112 3HG2 THR 112 -4.935 6.736 -9.122 916 H PHE 113 H PHE 113 -5.602 7.016 -6.512 917 HA PHE 113 HA PHE 113 -8.000 5.746 -5.301 918 1HB PHE 113 1HB PHE 113 -6.658 6.520 -3.453 919 2HB PHE 113 2HB PHE 113 -6.355 8.065 -4.243 920 HD1 PHE 113 HD1 PHE 113 -7.746 9.919 -3.747 921 HD2 PHE 113 HD2 PHE 113 -9.199 5.935 -2.950 922 HE1 PHE 113 HE1 PHE 113 -9.709 10.861 -2.572 923 HE2 PHE 113 HE2 PHE 113 -11.132 6.881 -1.741 924 HZ PHE 113 HZ PHE 113 -11.405 9.350 -1.564 925 H GLY 114 H GLY 114 -9.098 6.033 -7.171 926 1HA GLY 114 1HA GLY 114 -9.267 7.229 -9.341 927 2HA GLY 114 2HA GLY 114 -10.701 7.338 -8.321 928 H GLY 115 H GLY 115 -7.813 9.063 -9.427 929 1HA GLY 115 1HA GLY 115 -8.493 11.475 -10.125 930 2HA GLY 115 2HA GLY 115 -8.827 11.665 -8.396 931 H VAL 116 H VAL 116 -6.796 10.141 -7.266 932 HA VAL 116 HA VAL 116 -4.315 11.646 -7.973 933 HB VAL 116 HB VAL 116 -5.365 10.879 -5.211 934 1HG1 VAL 116 1HG1 VAL 116 -2.918 12.466 -6.108 935 2HG1 VAL 116 2HG1 VAL 116 -3.519 12.420 -4.442 936 3HG1 VAL 116 3HG1 VAL 116 -2.927 10.940 -5.194 937 1HG2 VAL 116 1HG2 VAL 116 -5.640 13.332 -4.885 938 2HG2 VAL 116 2HG2 VAL 116 -5.245 13.593 -6.596 939 3HG2 VAL 116 3HG2 VAL 116 -6.720 12.714 -6.135 940 H THR 117 H THR 117 -2.363 10.537 -7.601 941 HA THR 117 HA THR 117 -2.530 7.559 -7.436 942 HB THR 117 HB THR 117 -0.772 9.307 -9.205 943 HG1 THR 117 HG1 THR 117 -2.908 7.548 -9.824 944 1HG2 THR 117 1HG2 THR 117 -0.172 7.146 -10.307 945 2HG2 THR 117 2HG2 THR 117 0.455 7.264 -8.663 946 3HG2 THR 117 3HG2 THR 117 -0.985 6.269 -8.998 947 H LEU 118 H LEU 118 -0.649 6.543 -6.525 948 HA LEU 118 HA LEU 118 1.331 8.290 -5.164 949 1HB LEU 118 1HB LEU 118 0.373 5.593 -4.152 950 2HB LEU 118 2HB LEU 118 1.582 6.642 -3.446 951 HG LEU 118 HG LEU 118 -0.155 8.274 -2.799 952 1HD1 LEU 118 1HD1 LEU 118 -2.052 8.097 -4.175 953 2HD1 LEU 118 2HD1 LEU 118 -2.004 6.326 -4.210 954 3HD1 LEU 118 3HD1 LEU 118 -2.578 7.172 -2.771 955 1HD2 LEU 118 1HD2 LEU 118 0.642 6.397 -1.332 956 2HD2 LEU 118 2HD2 LEU 118 -1.013 6.891 -0.971 957 3HD2 LEU 118 3HD2 LEU 118 -0.722 5.412 -1.891 958 H ILE 119 H ILE 119 3.410 7.682 -5.797 959 HA ILE 119 HA ILE 119 3.804 4.870 -6.616 960 HB ILE 119 HB ILE 119 3.735 5.917 -8.636 961 1HG1 ILE 119 1HG1 ILE 119 5.577 4.272 -8.198 962 2HG1 ILE 119 2HG1 ILE 119 5.697 5.276 -9.642 963 1HG2 ILE 119 1HG2 ILE 119 5.662 8.058 -7.683 964 2HG2 ILE 119 2HG2 ILE 119 5.173 7.811 -9.369 965 3HG2 ILE 119 3HG2 ILE 119 3.972 8.275 -8.158 966 1HD1 ILE 119 1HD1 ILE 119 7.308 5.698 -7.090 967 2HD1 ILE 119 2HD1 ILE 119 7.868 5.052 -8.630 968 3HD1 ILE 119 3HD1 ILE 119 7.358 6.740 -8.531 969 H ARG 120 H ARG 120 4.958 4.008 -5.180 970 HA ARG 120 HA ARG 120 7.100 5.492 -3.742 971 1HB ARG 120 1HB ARG 120 5.097 3.487 -2.608 972 2HB ARG 120 2HB ARG 120 6.464 4.195 -1.733 973 1HG ARG 120 1HG ARG 120 5.426 6.416 -1.851 974 2HG ARG 120 2HG ARG 120 4.150 5.819 -2.917 975 1HD ARG 120 1HD ARG 120 3.328 6.076 -0.655 976 2HD ARG 120 2HD ARG 120 3.265 4.381 -1.172 977 HE ARG 120 HE ARG 120 5.705 4.614 0.113 978 1HH1 ARG 120 1HH1 ARG 120 2.335 5.208 1.066 979 2HH1 ARG 120 2HH1 ARG 120 2.581 4.686 2.712 980 1HH2 ARG 120 1HH2 ARG 120 5.986 3.847 2.235 981 2HH2 ARG 120 2HH2 ARG 120 4.673 3.910 3.383 982 H ARG 121 H ARG 121 8.838 4.019 -3.075 983 HA ARG 121 HA ARG 121 8.803 1.320 -4.292 984 1HB ARG 121 1HB ARG 121 11.033 3.310 -4.870 985 2HB ARG 121 2HB ARG 121 10.967 1.602 -5.342 986 1HG ARG 121 1HG ARG 121 8.919 2.077 -6.676 987 2HG ARG 121 2HG ARG 121 9.113 3.807 -6.332 988 1HD ARG 121 1HD ARG 121 11.277 3.828 -7.443 989 2HD ARG 121 2HD ARG 121 11.202 2.070 -7.705 990 HE ARG 121 HE ARG 121 8.867 3.116 -8.821 991 1HH1 ARG 121 1HH1 ARG 121 12.355 3.374 -9.412 992 2HH1 ARG 121 2HH1 ARG 121 12.170 3.685 -11.120 993 1HH2 ARG 121 1HH2 ARG 121 8.632 3.533 -11.049 994 2HH2 ARG 121 2HH2 ARG 121 10.037 3.771 -12.057 995 H SER 122 H SER 122 10.171 -0.150 -3.364 996 HA SER 122 HA SER 122 11.569 0.623 -0.859 997 1HB SER 122 1HB SER 122 9.699 -1.759 -1.192 998 2HB SER 122 2HB SER 122 10.514 -1.231 0.291 999 HG SER 122 HG SER 122 8.301 -0.574 0.122 1000 H LYS 123 H LYS 123 13.040 -1.021 -0.086 1001 HA LYS 123 HA LYS 123 14.092 -2.887 -2.166 1002 1HB LYS 123 1HB LYS 123 15.560 -1.018 -0.292 1003 2HB LYS 123 2HB LYS 123 16.320 -2.487 -0.936 1004 1HG LYS 123 1HG LYS 123 15.976 -1.770 -3.229 1005 2HG LYS 123 2HG LYS 123 15.092 -0.328 -2.689 1006 1HD LYS 123 1HD LYS 123 17.122 0.492 -1.524 1007 2HD LYS 123 2HD LYS 123 17.985 -0.989 -1.963 1008 1HE LYS 123 1HE LYS 123 18.653 0.830 -3.442 1009 2HE LYS 123 2HE LYS 123 17.797 -0.417 -4.366 1010 1HZ LYS 123 1HZ LYS 123 15.879 0.922 -4.372 1011 2HZ LYS 123 2HZ LYS 123 16.549 2.046 -3.359 1012 3HZ LYS 123 3HZ LYS 123 17.133 1.844 -4.889 1013 H ARG 124 H ARG 124 14.780 -4.865 -1.473 1014 HA ARG 124 HA ARG 124 13.188 -5.927 0.629 1015 1HB ARG 124 1HB ARG 124 13.900 -6.921 -1.673 1016 2HB ARG 124 2HB ARG 124 15.404 -7.347 -0.863 1017 1HG ARG 124 1HG ARG 124 13.621 -8.383 0.923 1018 2HG ARG 124 2HG ARG 124 12.593 -8.392 -0.504 1019 1HD ARG 124 1HD ARG 124 13.699 -10.548 -0.398 1020 2HD ARG 124 2HD ARG 124 14.399 -9.649 -1.746 1021 HE ARG 124 HE ARG 124 16.431 -9.589 -0.674 1022 1HH1 ARG 124 1HH1 ARG 124 13.976 -10.581 1.698 1023 2HH1 ARG 124 2HH1 ARG 124 15.056 -10.411 3.059 1024 1HH2 ARG 124 1HH2 ARG 124 17.858 -9.465 1.144 1025 2HH2 ARG 124 2HH2 ARG 124 17.219 -9.763 2.749 1026 H VAL 125 H VAL 125 13.761 -6.758 2.615 1027 HA VAL 125 HA VAL 125 16.594 -6.595 3.543 1028 HB VAL 125 HB VAL 125 14.051 -5.923 5.081 1029 1HG1 VAL 125 1HG1 VAL 125 15.751 -6.990 6.530 1030 2HG1 VAL 125 2HG1 VAL 125 16.978 -5.848 5.940 1031 3HG1 VAL 125 3HG1 VAL 125 15.601 -5.268 6.899 1032 1HG2 VAL 125 1HG2 VAL 125 16.327 -4.143 4.106 1033 2HG2 VAL 125 2HG2 VAL 125 14.641 -4.096 3.544 1034 3HG2 VAL 125 3HG2 VAL 125 15.029 -3.632 5.205 Start of MODEL 3 1 1H ALA 1 1H ALA 1 9.507 -16.451 -1.841 2 2H ALA 1 2H ALA 1 9.839 -14.905 -2.335 3 3H ALA 1 3H ALA 1 9.923 -15.289 -0.739 4 HA ALA 1 HA ALA 1 7.506 -15.300 -2.377 5 1HB ALA 1 1HB ALA 1 6.315 -15.690 -0.230 6 2HB ALA 1 2HB ALA 1 7.440 -17.007 -0.603 7 3HB ALA 1 3HB ALA 1 7.880 -15.784 0.606 8 H PHE 2 H PHE 2 5.868 -13.707 -1.397 9 HA PHE 2 HA PHE 2 6.965 -11.060 -1.441 10 1HB PHE 2 1HB PHE 2 4.236 -12.186 -0.748 11 2HB PHE 2 2HB PHE 2 4.603 -10.471 -0.689 12 HD1 PHE 2 HD1 PHE 2 4.437 -13.390 -3.037 13 HD2 PHE 2 HD2 PHE 2 4.724 -9.104 -2.616 14 HE1 PHE 2 HE1 PHE 2 4.114 -13.125 -5.472 15 HE2 PHE 2 HE2 PHE 2 4.512 -8.857 -5.070 16 HZ PHE 2 HZ PHE 2 4.154 -10.860 -6.486 17 H SER 3 H SER 3 6.096 -13.297 1.181 18 HA SER 3 HA SER 3 6.077 -11.607 3.386 19 1HB SER 3 1HB SER 3 6.828 -13.633 4.649 20 2HB SER 3 2HB SER 3 5.477 -13.949 3.545 21 HG SER 3 HG SER 3 7.127 -15.526 3.413 22 H GLY 4 H GLY 4 7.626 -10.559 4.606 23 1HA GLY 4 1HA GLY 4 10.288 -11.013 4.974 24 2HA GLY 4 2HA GLY 4 10.254 -10.177 3.403 25 H THR 5 H THR 5 11.559 -8.636 4.807 26 HA THR 5 HA THR 5 9.757 -6.594 6.019 27 HB THR 5 HB THR 5 12.631 -7.165 6.823 28 HG1 THR 5 HG1 THR 5 10.180 -7.873 8.058 29 1HG2 THR 5 1HG2 THR 5 11.893 -4.826 7.263 30 2HG2 THR 5 2HG2 THR 5 10.436 -5.440 8.072 31 3HG2 THR 5 3HG2 THR 5 12.040 -5.740 8.771 32 H TRP 6 H TRP 6 10.210 -4.460 5.494 33 HA TRP 6 HA TRP 6 12.085 -3.902 3.274 34 1HB TRP 6 1HB TRP 6 9.065 -3.541 3.219 35 2HB TRP 6 2HB TRP 6 10.182 -2.877 2.027 36 HD1 TRP 6 HD1 TRP 6 8.534 -6.109 3.095 37 HE1 TRP 6 HE1 TRP 6 8.891 -7.926 1.268 38 HE3 TRP 6 HE3 TRP 6 11.652 -3.544 -0.005 39 HZ2 TRP 6 HZ2 TRP 6 10.436 -8.231 -1.127 40 HZ3 TRP 6 HZ3 TRP 6 12.631 -4.626 -1.993 41 HH2 TRP 6 HH2 TRP 6 12.043 -6.976 -2.568 42 H GLN 7 H GLN 7 12.248 -1.613 2.831 43 HA GLN 7 HA GLN 7 11.155 0.253 4.859 44 1HB GLN 7 1HB GLN 7 13.989 -0.448 4.461 45 2HB GLN 7 2HB GLN 7 13.729 1.240 4.068 46 1HG GLN 7 1HG GLN 7 12.992 -0.131 6.660 47 2HG GLN 7 2HG GLN 7 14.344 0.976 6.407 48 1HE2 GLN 7 1HE2 GLN 7 12.420 2.744 4.601 49 2HE2 GLN 7 2HE2 GLN 7 11.500 3.599 5.821 50 H VAL 8 H VAL 8 10.062 1.786 3.795 51 HA VAL 8 HA VAL 8 10.119 2.254 0.983 52 HB VAL 8 HB VAL 8 9.311 4.061 3.289 53 1HG1 VAL 8 1HG1 VAL 8 7.980 5.273 1.555 54 2HG1 VAL 8 2HG1 VAL 8 9.717 5.438 1.284 55 3HG1 VAL 8 3HG1 VAL 8 8.771 4.306 0.293 56 1HG2 VAL 8 1HG2 VAL 8 7.027 3.392 2.735 57 2HG2 VAL 8 2HG2 VAL 8 7.613 2.343 1.431 58 3HG2 VAL 8 3HG2 VAL 8 7.984 1.959 3.125 59 H TYR 9 H TYR 9 11.400 3.549 -0.279 60 HA TYR 9 HA TYR 9 13.494 5.218 1.042 61 1HB TYR 9 1HB TYR 9 15.096 4.687 -0.574 62 2HB TYR 9 2HB TYR 9 14.520 3.189 0.137 63 HD1 TYR 9 HD1 TYR 9 14.751 5.209 -2.940 64 HD2 TYR 9 HD2 TYR 9 13.198 1.600 -1.196 65 HE1 TYR 9 HE1 TYR 9 14.368 4.283 -5.207 66 HE2 TYR 9 HE2 TYR 9 12.879 0.643 -3.466 67 HH TYR 9 HH TYR 9 12.910 1.047 -5.715 68 H ALA 10 H ALA 10 11.425 4.722 -1.850 69 HA ALA 10 HA ALA 10 11.536 7.679 -2.310 70 1HB ALA 10 1HB ALA 10 11.311 5.498 -4.404 71 2HB ALA 10 2HB ALA 10 11.262 7.247 -4.687 72 3HB ALA 10 3HB ALA 10 12.744 6.492 -4.075 73 H GLN 11 H GLN 11 9.701 8.695 -2.895 74 HA GLN 11 HA GLN 11 7.077 7.382 -2.789 75 1HB GLN 11 1HB GLN 11 8.356 9.033 -0.628 76 2HB GLN 11 2HB GLN 11 6.716 9.523 -1.053 77 1HG GLN 11 1HG GLN 11 7.344 6.638 -0.430 78 2HG GLN 11 2HG GLN 11 7.044 7.836 0.837 79 1HE2 GLN 11 1HE2 GLN 11 5.003 7.506 1.596 80 2HE2 GLN 11 2HE2 GLN 11 3.580 7.333 0.587 81 H GLU 12 H GLU 12 5.609 8.528 -4.077 82 HA GLU 12 HA GLU 12 6.051 11.363 -4.533 83 1HB GLU 12 1HB GLU 12 7.474 10.318 -6.280 84 2HB GLU 12 2HB GLU 12 6.058 9.484 -6.929 85 1HG GLU 12 1HG GLU 12 4.968 11.647 -7.389 86 2HG GLU 12 2HG GLU 12 6.373 12.497 -6.715 87 HE2 GLU 12 HE2 GLU 12 8.439 11.707 -9.497 88 H ASN 13 H ASN 13 4.278 12.436 -4.963 89 HA ASN 13 HA ASN 13 2.178 13.063 -4.974 90 1HB ASN 13 1HB ASN 13 2.364 11.637 -7.137 91 2HB ASN 13 2HB ASN 13 1.287 10.508 -6.316 92 1HD2 ASN 13 1HD2 ASN 13 -0.863 11.422 -5.613 93 2HD2 ASN 13 2HD2 ASN 13 -1.540 12.799 -6.472 94 H TYR 14 H TYR 14 3.219 11.563 -2.750 95 HA TYR 14 HA TYR 14 1.079 10.015 -1.544 96 1HB TYR 14 1HB TYR 14 3.430 9.539 -1.123 97 2HB TYR 14 2HB TYR 14 3.712 11.184 -0.566 98 HD1 TYR 14 HD1 TYR 14 0.904 8.842 0.412 99 HD2 TYR 14 HD2 TYR 14 4.543 10.835 1.606 100 HE1 TYR 14 HE1 TYR 14 0.782 7.748 2.612 101 HE2 TYR 14 HE2 TYR 14 4.421 9.715 3.806 102 HH TYR 14 HH TYR 14 1.725 7.532 4.692 103 H GLU 15 H GLU 15 2.632 13.183 -0.996 104 HA GLU 15 HA GLU 15 1.152 14.068 1.168 105 1HB GLU 15 1HB GLU 15 2.065 16.258 0.660 106 2HB GLU 15 2HB GLU 15 3.238 14.996 0.354 107 1HG GLU 15 1HG GLU 15 3.568 16.381 -1.433 108 2HG GLU 15 2HG GLU 15 2.511 15.164 -2.149 109 HE2 GLU 15 HE2 GLU 15 1.095 18.193 -3.351 110 H GLU 16 H GLU 16 0.323 14.279 -2.286 111 HA GLU 16 HA GLU 16 -2.024 15.872 -2.107 112 1HB GLU 16 1HB GLU 16 -1.222 13.571 -3.945 113 2HB GLU 16 2HB GLU 16 -2.654 14.569 -4.214 114 1HG GLU 16 1HG GLU 16 0.191 15.666 -4.120 115 2HG GLU 16 2HG GLU 16 -0.665 15.198 -5.590 116 HE2 GLU 16 HE2 GLU 16 -1.512 18.713 -3.895 117 H PHE 17 H PHE 17 -1.589 12.297 -1.980 118 HA PHE 17 HA PHE 17 -4.327 11.692 -1.685 119 1HB PHE 17 1HB PHE 17 -2.664 10.061 -2.388 120 2HB PHE 17 2HB PHE 17 -1.864 10.144 -0.821 121 HD1 PHE 17 HD1 PHE 17 -5.280 9.469 -2.280 122 HD2 PHE 17 HD2 PHE 17 -2.462 8.592 0.868 123 HE1 PHE 17 HE1 PHE 17 -6.706 7.587 -1.496 124 HE2 PHE 17 HE2 PHE 17 -3.812 6.636 1.529 125 HZ PHE 17 HZ PHE 17 -5.906 6.082 0.272 126 H LEU 18 H LEU 18 -1.755 12.108 0.817 127 HA LEU 18 HA LEU 18 -3.360 11.538 3.073 128 1HB LEU 18 1HB LEU 18 -1.066 13.517 2.757 129 2HB LEU 18 2HB LEU 18 -1.727 12.976 4.305 130 HG LEU 18 HG LEU 18 -0.308 11.204 2.261 131 1HD1 LEU 18 1HD1 LEU 18 1.435 11.139 4.017 132 2HD1 LEU 18 2HD1 LEU 18 1.157 12.793 3.448 133 3HD1 LEU 18 3HD1 LEU 18 0.466 12.263 4.998 134 1HD2 LEU 18 1HD2 LEU 18 -1.503 10.550 4.989 135 2HD2 LEU 18 2HD2 LEU 18 -1.942 9.825 3.423 136 3HD2 LEU 18 3HD2 LEU 18 -0.357 9.513 4.126 137 H LYS 19 H LYS 19 -2.943 14.642 1.306 138 HA LYS 19 HA LYS 19 -4.648 16.103 3.078 139 1HB LYS 19 1HB LYS 19 -3.757 16.576 0.206 140 2HB LYS 19 2HB LYS 19 -4.724 17.734 1.139 141 1HG LYS 19 1HG LYS 19 -2.980 17.973 2.811 142 2HG LYS 19 2HG LYS 19 -2.060 16.633 2.130 143 1HD LYS 19 1HD LYS 19 -0.940 18.584 1.469 144 2HD LYS 19 2HD LYS 19 -1.726 17.933 0.022 145 1HE LYS 19 1HE LYS 19 -3.534 19.607 0.234 146 2HE LYS 19 2HE LYS 19 -2.848 20.185 1.766 147 1HZ LYS 19 1HZ LYS 19 -2.252 21.568 -0.084 148 2HZ LYS 19 2HZ LYS 19 -0.914 20.880 0.590 149 3HZ LYS 19 3HZ LYS 19 -1.503 20.306 -0.839 150 H ALA 20 H ALA 20 -5.243 14.179 0.137 151 HA ALA 20 HA ALA 20 -8.018 14.824 -0.090 152 1HB ALA 20 1HB ALA 20 -6.616 13.884 -1.923 153 2HB ALA 20 2HB ALA 20 -6.591 12.324 -1.068 154 3HB ALA 20 3HB ALA 20 -8.124 12.991 -1.645 155 H LEU 21 H LEU 21 -6.302 12.635 2.126 156 HA LEU 21 HA LEU 21 -8.568 10.896 2.602 157 1HB LEU 21 1HB LEU 21 -6.066 11.487 4.216 158 2HB LEU 21 2HB LEU 21 -7.319 10.378 4.758 159 HG LEU 21 HG LEU 21 -5.708 10.024 2.199 160 1HD1 LEU 21 1HD1 LEU 21 -4.376 9.824 4.306 161 2HD1 LEU 21 2HD1 LEU 21 -5.514 8.596 4.882 162 3HD1 LEU 21 3HD1 LEU 21 -4.522 8.287 3.443 163 1HD2 LEU 21 1HD2 LEU 21 -7.760 8.256 3.603 164 2HD2 LEU 21 2HD2 LEU 21 -7.834 8.887 1.941 165 3HD2 LEU 21 3HD2 LEU 21 -6.629 7.671 2.374 166 H ALA 22 H ALA 22 -7.099 13.284 4.830 167 HA ALA 22 HA ALA 22 -9.473 14.707 5.414 168 1HB ALA 22 1HB ALA 22 -9.909 13.834 7.715 169 2HB ALA 22 2HB ALA 22 -10.303 12.637 6.479 170 3HB ALA 22 3HB ALA 22 -8.796 12.487 7.402 171 H LEU 23 H LEU 23 -6.635 13.311 7.061 172 HA LEU 23 HA LEU 23 -6.265 15.220 8.930 173 1HB LEU 23 1HB LEU 23 -4.000 14.457 9.210 174 2HB LEU 23 2HB LEU 23 -5.127 13.126 9.041 175 HG LEU 23 HG LEU 23 -3.707 14.002 6.539 176 1HD1 LEU 23 1HD1 LEU 23 -2.324 12.456 8.774 177 2HD1 LEU 23 2HD1 LEU 23 -1.684 12.714 7.137 178 3HD1 LEU 23 3HD1 LEU 23 -1.906 14.090 8.221 179 1HD2 LEU 23 1HD2 LEU 23 -5.246 12.089 6.430 180 2HD2 LEU 23 2HD2 LEU 23 -3.579 11.585 6.140 181 3HD2 LEU 23 3HD2 LEU 23 -4.332 11.267 7.715 182 HA PRO 24 HA PRO 24 -5.165 18.835 6.698 183 1HB PRO 24 1HB PRO 24 -4.437 20.555 8.681 184 2HB PRO 24 2HB PRO 24 -6.090 19.882 8.578 185 1HG PRO 24 1HG PRO 24 -3.779 18.829 10.246 186 2HG PRO 24 2HG PRO 24 -5.424 19.250 10.811 187 1HD PRO 24 1HD PRO 24 -4.774 16.695 10.160 188 2HD PRO 24 2HD PRO 24 -6.369 17.371 9.724 189 H GLU 25 H GLU 25 -3.389 20.427 6.324 190 HA GLU 25 HA GLU 25 -1.128 19.229 5.433 191 1HB GLU 25 1HB GLU 25 -0.288 21.435 4.998 192 2HB GLU 25 2HB GLU 25 -2.023 21.341 4.677 193 1HG GLU 25 1HG GLU 25 -2.467 22.449 6.880 194 2HG GLU 25 2HG GLU 25 -0.717 22.627 7.112 195 HE2 GLU 25 HE2 GLU 25 -1.959 25.763 5.755 196 H ASP 26 H ASP 26 -1.571 20.679 8.621 197 HA ASP 26 HA ASP 26 1.151 20.693 9.445 198 1HB ASP 26 1HB ASP 26 -0.636 21.928 10.600 199 2HB ASP 26 2HB ASP 26 -1.415 20.409 11.073 200 HD2 ASP 26 HD2 ASP 26 0.702 19.862 13.774 201 H LEU 27 H LEU 27 -1.295 18.081 9.465 202 HA LEU 27 HA LEU 27 0.592 16.254 10.818 203 1HB LEU 27 1HB LEU 27 -2.230 15.839 9.809 204 2HB LEU 27 2HB LEU 27 -1.247 14.635 10.662 205 HG LEU 27 HG LEU 27 -2.321 17.258 11.773 206 1HD1 LEU 27 1HD1 LEU 27 -3.569 15.805 13.279 207 2HD1 LEU 27 2HD1 LEU 27 -3.874 15.266 11.619 208 3HD1 LEU 27 3HD1 LEU 27 -2.744 14.366 12.644 209 1HD2 LEU 27 1HD2 LEU 27 -0.402 15.261 13.056 210 2HD2 LEU 27 2HD2 LEU 27 -0.119 16.997 12.781 211 3HD2 LEU 27 3HD2 LEU 27 -1.328 16.481 13.957 212 H ILE 28 H ILE 28 -0.645 16.877 7.500 213 HA ILE 28 HA ILE 28 0.486 14.451 6.489 214 HB ILE 28 HB ILE 28 0.152 15.073 4.372 215 1HG1 ILE 28 1HG1 ILE 28 -0.477 17.622 3.845 216 2HG1 ILE 28 2HG1 ILE 28 0.694 17.907 5.134 217 1HG2 ILE 28 1HG2 ILE 28 -2.072 15.707 4.232 218 2HG2 ILE 28 2HG2 ILE 28 -1.898 15.038 5.855 219 3HG2 ILE 28 3HG2 ILE 28 -1.970 16.797 5.616 220 1HD1 ILE 28 1HD1 ILE 28 1.129 16.249 2.634 221 2HD1 ILE 28 2HD1 ILE 28 1.714 17.909 2.879 222 3HD1 ILE 28 3HD1 ILE 28 2.380 16.583 3.847 223 H LYS 29 H LYS 29 1.910 17.645 7.146 224 HA LYS 29 HA LYS 29 4.468 17.434 6.093 225 1HB LYS 29 1HB LYS 29 3.521 19.350 7.397 226 2HB LYS 29 2HB LYS 29 3.623 18.358 8.857 227 1HG LYS 29 1HG LYS 29 6.161 18.213 8.418 228 2HG LYS 29 2HG LYS 29 5.906 19.484 7.207 229 1HD LYS 29 1HD LYS 29 4.888 20.915 9.008 230 2HD LYS 29 2HD LYS 29 5.156 19.598 10.169 231 1HE LYS 29 1HE LYS 29 7.633 19.730 9.631 232 2HE LYS 29 2HE LYS 29 7.287 21.187 8.680 233 1HZ LYS 29 1HZ LYS 29 6.750 20.819 11.547 234 2HZ LYS 29 2HZ LYS 29 7.981 21.699 10.900 235 3HZ LYS 29 3HZ LYS 29 6.419 22.185 10.687 236 H MET 30 H MET 30 3.101 15.858 9.007 237 HA MET 30 HA MET 30 5.625 14.961 10.029 238 1HB MET 30 1HB MET 30 3.439 15.518 11.260 239 2HB MET 30 2HB MET 30 2.872 13.913 10.768 240 1HG MET 30 1HG MET 30 4.821 12.899 11.948 241 2HG MET 30 2HG MET 30 5.369 14.523 12.401 242 1HE MET 30 1HE MET 30 4.212 13.094 15.820 243 2HE MET 30 2HE MET 30 5.008 12.195 14.505 244 3HE MET 30 3HE MET 30 5.533 13.851 14.898 245 H ALA 31 H ALA 31 3.524 13.730 7.566 246 HA ALA 31 HA ALA 31 4.691 10.994 7.689 247 1HB ALA 31 1HB ALA 31 2.931 10.453 6.080 248 2HB ALA 31 2HB ALA 31 2.241 11.197 7.540 249 3HB ALA 31 3HB ALA 31 2.427 12.160 6.063 250 H ARG 32 H ARG 32 4.505 13.956 5.783 251 HA ARG 32 HA ARG 32 5.021 13.316 3.275 252 1HB ARG 32 1HB ARG 32 4.749 15.586 4.364 253 2HB ARG 32 2HB ARG 32 6.491 15.652 4.581 254 1HG ARG 32 1HG ARG 32 5.179 15.205 1.850 255 2HG ARG 32 2HG ARG 32 5.317 16.803 2.578 256 1HD ARG 32 1HD ARG 32 7.121 16.687 1.116 257 2HD ARG 32 2HD ARG 32 7.809 16.486 2.736 258 HE ARG 32 HE ARG 32 7.168 13.960 1.466 259 1HH1 ARG 32 1HH1 ARG 32 9.662 16.498 1.509 260 2HH1 ARG 32 2HH1 ARG 32 10.961 15.364 1.224 261 1HH2 ARG 32 1HH2 ARG 32 8.863 12.533 1.057 262 2HH2 ARG 32 2HH2 ARG 32 10.507 13.116 0.944 263 H ASP 33 H ASP 33 7.723 13.916 5.575 264 HA ASP 33 HA ASP 33 9.580 12.509 3.697 265 1HB ASP 33 1HB ASP 33 9.735 15.071 4.065 266 2HB ASP 33 2HB ASP 33 10.291 14.693 5.691 267 HD2 ASP 33 HD2 ASP 33 13.527 14.308 4.535 268 H ILE 34 H ILE 34 7.971 11.193 5.689 269 HA ILE 34 HA ILE 34 10.100 10.054 7.456 270 HB ILE 34 HB ILE 34 7.114 10.454 7.908 271 1HG1 ILE 34 1HG1 ILE 34 7.857 11.251 10.136 272 2HG1 ILE 34 2HG1 ILE 34 9.545 11.072 9.661 273 1HG2 ILE 34 1HG2 ILE 34 7.351 9.018 9.923 274 2HG2 ILE 34 2HG2 ILE 34 7.545 8.106 8.434 275 3HG2 ILE 34 3HG2 ILE 34 8.980 8.557 9.384 276 1HD1 ILE 34 1HD1 ILE 34 8.410 13.417 9.589 277 2HD1 ILE 34 2HD1 ILE 34 9.442 12.954 8.238 278 3HD1 ILE 34 3HD1 ILE 34 7.672 12.866 8.071 279 H LYS 35 H LYS 35 10.637 8.073 6.740 280 HA LYS 35 HA LYS 35 8.852 6.679 4.819 281 1HB LYS 35 1HB LYS 35 10.789 5.771 3.799 282 2HB LYS 35 2HB LYS 35 10.801 7.531 3.810 283 1HG LYS 35 1HG LYS 35 12.417 7.383 5.817 284 2HG LYS 35 2HG LYS 35 12.526 5.652 5.443 285 1HD LYS 35 1HD LYS 35 13.083 6.391 3.023 286 2HD LYS 35 2HD LYS 35 13.272 8.013 3.688 287 1HE LYS 35 1HE LYS 35 15.450 6.998 3.578 288 2HE LYS 35 2HE LYS 35 15.001 7.090 5.291 289 1HZ LYS 35 1HZ LYS 35 14.754 4.712 3.572 290 2HZ LYS 35 2HZ LYS 35 15.951 4.974 4.675 291 3HZ LYS 35 3HZ LYS 35 14.396 4.775 5.177 292 HA PRO 36 HA PRO 36 8.790 4.272 8.636 293 1HB PRO 36 1HB PRO 36 6.415 2.955 8.346 294 2HB PRO 36 2HB PRO 36 6.515 4.719 8.626 295 1HG PRO 36 1HG PRO 36 6.230 3.282 5.972 296 2HG PRO 36 2HG PRO 36 5.214 4.614 6.606 297 1HD PRO 36 1HD PRO 36 7.293 5.072 4.915 298 2HD PRO 36 2HD PRO 36 6.936 6.202 6.261 299 H ILE 37 H ILE 37 8.648 2.009 9.330 300 HA ILE 37 HA ILE 37 10.040 0.104 7.618 301 HB ILE 37 HB ILE 37 8.620 -0.079 10.296 302 1HG1 ILE 37 1HG1 ILE 37 10.783 1.247 10.201 303 2HG1 ILE 37 2HG1 ILE 37 10.703 -0.065 11.377 304 1HG2 ILE 37 1HG2 ILE 37 8.469 -2.293 9.390 305 2HG2 ILE 37 2HG2 ILE 37 10.160 -2.264 8.855 306 3HG2 ILE 37 3HG2 ILE 37 9.763 -2.295 10.587 307 1HD1 ILE 37 1HD1 ILE 37 12.110 -1.491 10.070 308 2HD1 ILE 37 2HD1 ILE 37 11.983 -0.441 8.649 309 3HD1 ILE 37 3HD1 ILE 37 12.875 0.106 10.081 310 H VAL 38 H VAL 38 9.124 -1.581 6.529 311 HA VAL 38 HA VAL 38 6.159 -1.923 6.546 312 HB VAL 38 HB VAL 38 8.034 -1.813 4.159 313 1HG1 VAL 38 1HG1 VAL 38 6.519 -3.705 3.793 314 2HG1 VAL 38 2HG1 VAL 38 5.123 -2.725 4.298 315 3HG1 VAL 38 3HG1 VAL 38 5.994 -2.346 2.797 316 1HG2 VAL 38 1HG2 VAL 38 5.555 -0.202 4.898 317 2HG2 VAL 38 2HG2 VAL 38 7.232 0.386 4.893 318 3HG2 VAL 38 3HG2 VAL 38 6.452 -0.072 3.371 319 H GLU 39 H GLU 39 5.506 -4.071 6.389 320 HA GLU 39 HA GLU 39 7.526 -6.195 6.258 321 1HB GLU 39 1HB GLU 39 7.435 -5.469 8.657 322 2HB GLU 39 2HB GLU 39 5.706 -5.866 8.680 323 1HG GLU 39 1HG GLU 39 6.257 -8.236 8.131 324 2HG GLU 39 2HG GLU 39 7.972 -7.805 8.021 325 HE2 GLU 39 HE2 GLU 39 7.922 -9.133 11.276 326 H ILE 40 H ILE 40 6.730 -7.871 5.163 327 HA ILE 40 HA ILE 40 3.808 -7.991 4.587 328 HB ILE 40 HB ILE 40 6.123 -9.122 2.996 329 1HG1 ILE 40 1HG1 ILE 40 6.474 -6.757 2.955 330 2HG1 ILE 40 2HG1 ILE 40 5.907 -7.310 1.386 331 1HG2 ILE 40 1HG2 ILE 40 4.387 -9.127 1.164 332 2HG2 ILE 40 2HG2 ILE 40 4.046 -10.235 2.503 333 3HG2 ILE 40 3HG2 ILE 40 3.174 -8.693 2.384 334 1HD1 ILE 40 1HD1 ILE 40 3.665 -6.400 1.871 335 2HD1 ILE 40 2HD1 ILE 40 4.217 -5.884 3.489 336 3HD1 ILE 40 3HD1 ILE 40 4.925 -5.162 2.036 337 H GLN 41 H GLN 41 2.786 -9.941 4.860 338 HA GLN 41 HA GLN 41 4.314 -12.321 5.746 339 1HB GLN 41 1HB GLN 41 3.595 -10.909 7.733 340 2HB GLN 41 2HB GLN 41 1.924 -11.204 7.257 341 1HG GLN 41 1HG GLN 41 2.580 -13.736 7.308 342 2HG GLN 41 2HG GLN 41 4.037 -13.188 8.154 343 1HE2 GLN 41 1HE2 GLN 41 3.331 -11.408 9.993 344 2HE2 GLN 41 2HE2 GLN 41 2.075 -12.009 11.054 345 H GLN 42 H GLN 42 3.789 -12.797 3.478 346 HA GLN 42 HA GLN 42 1.054 -13.672 2.884 347 1HB GLN 42 1HB GLN 42 2.533 -12.867 1.071 348 2HB GLN 42 2HB GLN 42 3.704 -14.139 1.469 349 1HG GLN 42 1HG GLN 42 1.871 -15.848 1.005 350 2HG GLN 42 2HG GLN 42 0.841 -14.516 0.471 351 1HE2 GLN 42 1HE2 GLN 42 0.772 -15.882 -1.507 352 2HE2 GLN 42 2HE2 GLN 42 2.073 -15.757 -2.678 353 H LYS 43 H LYS 43 0.296 -15.608 3.511 354 HA LYS 43 HA LYS 43 2.147 -17.934 3.517 355 1HB LYS 43 1HB LYS 43 0.096 -17.320 5.676 356 2HB LYS 43 2HB LYS 43 0.431 -18.974 5.165 357 1HG LYS 43 1HG LYS 43 1.773 -18.799 6.952 358 2HG LYS 43 2HG LYS 43 2.900 -18.550 5.620 359 1HD LYS 43 1HD LYS 43 2.938 -16.123 6.115 360 2HD LYS 43 2HD LYS 43 1.671 -16.339 7.340 361 1HE LYS 43 1HE LYS 43 3.172 -17.835 8.636 362 2HE LYS 43 2HE LYS 43 4.439 -17.640 7.410 363 1HZ LYS 43 1HZ LYS 43 3.308 -15.478 9.041 364 2HZ LYS 43 2HZ LYS 43 4.746 -16.235 9.315 365 3HZ LYS 43 3HZ LYS 43 4.541 -15.340 7.949 366 H GLY 44 H GLY 44 1.533 -17.851 1.284 367 1HA GLY 44 1HA GLY 44 0.453 -18.928 -0.417 368 2HA GLY 44 2HA GLY 44 -0.721 -19.579 0.728 369 H ASP 45 H ASP 45 -2.761 -18.857 0.412 370 HA ASP 45 HA ASP 45 -3.366 -16.839 -1.524 371 1HB ASP 45 1HB ASP 45 -5.687 -17.304 -1.003 372 2HB ASP 45 2HB ASP 45 -4.784 -18.795 -1.242 373 HD2 ASP 45 HD2 ASP 45 -7.034 -18.801 1.811 374 H ASP 46 H ASP 46 -3.451 -16.942 2.048 375 HA ASP 46 HA ASP 46 -4.616 -14.294 2.279 376 1HB ASP 46 1HB ASP 46 -4.164 -14.547 4.679 377 2HB ASP 46 2HB ASP 46 -5.090 -15.890 3.996 378 HD2 ASP 46 HD2 ASP 46 -2.534 -18.247 4.357 379 H PHE 47 H PHE 47 -3.644 -12.412 2.614 380 HA PHE 47 HA PHE 47 -0.679 -12.189 2.843 381 1HB PHE 47 1HB PHE 47 -2.612 -10.754 1.017 382 2HB PHE 47 2HB PHE 47 -1.120 -9.988 1.558 383 HD1 PHE 47 HD1 PHE 47 -2.428 -12.954 -0.299 384 HD2 PHE 47 HD2 PHE 47 0.951 -10.404 0.489 385 HE1 PHE 47 HE1 PHE 47 -1.219 -13.964 -2.216 386 HE2 PHE 47 HE2 PHE 47 2.083 -11.295 -1.519 387 HZ PHE 47 HZ PHE 47 1.011 -13.071 -2.882 388 H VAL 48 H VAL 48 -0.319 -11.378 4.795 389 HA VAL 48 HA VAL 48 -2.141 -9.277 5.901 390 HB VAL 48 HB VAL 48 -0.295 -11.263 7.260 391 1HG1 VAL 48 1HG1 VAL 48 -1.848 -8.903 8.411 392 2HG1 VAL 48 2HG1 VAL 48 -1.139 -10.208 9.385 393 3HG1 VAL 48 3HG1 VAL 48 -0.089 -9.142 8.445 394 1HG2 VAL 48 1HG2 VAL 48 -2.378 -12.010 8.361 395 2HG2 VAL 48 2HG2 VAL 48 -3.312 -10.864 7.381 396 3HG2 VAL 48 3HG2 VAL 48 -2.462 -12.218 6.609 397 H VAL 49 H VAL 49 -1.315 -7.291 5.902 398 HA VAL 49 HA VAL 49 1.606 -6.868 5.408 399 HB VAL 49 HB VAL 49 -0.862 -5.449 4.370 400 1HG1 VAL 49 1HG1 VAL 49 0.725 -3.871 3.241 401 2HG1 VAL 49 2HG1 VAL 49 0.663 -3.670 4.993 402 3HG1 VAL 49 3HG1 VAL 49 2.035 -4.523 4.249 403 1HG2 VAL 49 1HG2 VAL 49 1.513 -6.709 2.939 404 2HG2 VAL 49 2HG2 VAL 49 -0.084 -7.458 3.102 405 3HG2 VAL 49 3HG2 VAL 49 0.098 -5.962 2.170 406 H THR 50 H THR 50 2.601 -5.367 6.664 407 HA THR 50 HA THR 50 1.066 -3.810 8.656 408 HB THR 50 HB THR 50 3.321 -5.756 9.300 409 HG1 THR 50 HG1 THR 50 1.674 -6.788 10.470 410 1HG2 THR 50 1HG2 THR 50 1.759 -3.844 11.098 411 2HG2 THR 50 2HG2 THR 50 2.802 -5.156 11.680 412 3HG2 THR 50 3HG2 THR 50 3.509 -3.812 10.779 413 H SER 51 H SER 51 2.210 -1.988 9.433 414 HA SER 51 HA SER 51 4.915 -1.507 8.508 415 1HB SER 51 1HB SER 51 4.321 0.756 7.577 416 2HB SER 51 2HB SER 51 3.662 -0.586 6.620 417 HG SER 51 HG SER 51 2.107 1.039 7.015 418 H LYS 52 H LYS 52 6.018 -0.052 9.823 419 HA LYS 52 HA LYS 52 4.593 0.787 12.318 420 1HB LYS 52 1HB LYS 52 5.880 -1.307 12.638 421 2HB LYS 52 2HB LYS 52 7.344 -0.472 12.096 422 1HG LYS 52 1HG LYS 52 7.130 1.126 14.013 423 2HG LYS 52 2HG LYS 52 5.632 0.316 14.494 424 1HD LYS 52 1HD LYS 52 7.361 -0.485 15.916 425 2HD LYS 52 2HD LYS 52 6.955 -1.812 14.814 426 1HE LYS 52 1HE LYS 52 8.963 -1.281 13.438 427 2HE LYS 52 2HE LYS 52 9.307 0.117 14.473 428 1HZ LYS 52 1HZ LYS 52 9.314 -2.697 15.305 429 2HZ LYS 52 2HZ LYS 52 10.634 -1.741 15.062 430 3HZ LYS 52 3HZ LYS 52 9.596 -1.409 16.297 431 H THR 53 H THR 53 5.056 2.779 13.056 432 HA THR 53 HA THR 53 7.176 4.380 11.702 433 HB THR 53 HB THR 53 5.732 6.027 11.159 434 HG1 THR 53 HG1 THR 53 3.892 6.545 12.416 435 1HG2 THR 53 1HG2 THR 53 3.576 5.358 10.407 436 2HG2 THR 53 2HG2 THR 53 4.702 4.030 10.099 437 3HG2 THR 53 3HG2 THR 53 3.559 3.937 11.460 438 HA PRO 54 HA PRO 54 8.663 5.282 15.656 439 1HB PRO 54 1HB PRO 54 9.151 7.970 15.869 440 2HB PRO 54 2HB PRO 54 10.040 6.882 14.766 441 1HG PRO 54 1HG PRO 54 7.655 8.626 14.097 442 2HG PRO 54 2HG PRO 54 9.214 8.533 13.227 443 1HD PRO 54 1HD PRO 54 7.069 7.155 12.400 444 2HD PRO 54 2HD PRO 54 8.677 6.372 12.351 445 H ARG 55 H ARG 55 5.685 7.062 14.926 446 HA ARG 55 HA ARG 55 4.913 6.889 17.796 447 1HB ARG 55 1HB ARG 55 4.532 9.377 16.085 448 2HB ARG 55 2HB ARG 55 4.037 9.149 17.772 449 1HG ARG 55 1HG ARG 55 6.459 8.895 18.404 450 2HG ARG 55 2HG ARG 55 6.893 9.277 16.721 451 1HD ARG 55 1HD ARG 55 5.629 11.415 16.919 452 2HD ARG 55 2HD ARG 55 5.380 11.077 18.649 453 HE ARG 55 HE ARG 55 8.123 10.839 18.217 454 1HH1 ARG 55 1HH1 ARG 55 5.694 13.413 17.902 455 2HH1 ARG 55 2HH1 ARG 55 6.853 14.703 18.098 456 1HH2 ARG 55 1HH2 ARG 55 9.633 12.551 18.473 457 2HH2 ARG 55 2HH2 ARG 55 9.093 14.210 18.432 458 H GLN 56 H GLN 56 4.267 5.208 15.494 459 HA GLN 56 HA GLN 56 1.494 4.970 15.809 460 1HB GLN 56 1HB GLN 56 2.127 7.050 13.950 461 2HB GLN 56 2HB GLN 56 1.701 5.667 12.955 462 1HG GLN 56 1HG GLN 56 -0.423 5.400 14.188 463 2HG GLN 56 2HG GLN 56 0.010 6.747 15.255 464 1HE2 GLN 56 1HE2 GLN 56 0.735 8.825 13.903 465 2HE2 GLN 56 2HE2 GLN 56 -0.390 9.270 12.637 466 H THR 57 H THR 57 0.602 3.421 14.011 467 HA THR 57 HA THR 57 2.373 1.889 12.424 468 HB THR 57 HB THR 57 3.242 0.965 14.498 469 HG1 THR 57 HG1 THR 57 2.664 -1.192 14.180 470 1HG2 THR 57 1HG2 THR 57 0.375 0.295 15.254 471 2HG2 THR 57 2HG2 THR 57 1.849 -0.182 16.130 472 3HG2 THR 57 3HG2 THR 57 1.397 1.529 16.035 473 H VAL 58 H VAL 58 1.193 0.245 11.257 474 HA VAL 58 HA VAL 58 -1.738 0.291 11.452 475 HB VAL 58 HB VAL 58 -0.174 1.226 8.995 476 1HG1 VAL 58 1HG1 VAL 58 -2.413 1.686 8.008 477 2HG1 VAL 58 2HG1 VAL 58 -2.155 -0.035 8.277 478 3HG1 VAL 58 3HG1 VAL 58 -3.178 0.893 9.401 479 1HG2 VAL 58 1HG2 VAL 58 -2.026 2.746 10.883 480 2HG2 VAL 58 2HG2 VAL 58 -0.294 3.054 10.601 481 3HG2 VAL 58 3HG2 VAL 58 -1.461 3.355 9.318 482 H THR 59 H THR 59 -2.706 -1.503 10.419 483 HA THR 59 HA THR 59 -1.060 -3.283 8.810 484 HB THR 59 HB THR 59 -0.699 -4.011 11.162 485 HG1 THR 59 HG1 THR 59 -0.678 -5.547 9.495 486 1HG2 THR 59 1HG2 THR 59 -2.854 -3.375 12.176 487 2HG2 THR 59 2HG2 THR 59 -3.690 -4.602 11.197 488 3HG2 THR 59 3HG2 THR 59 -2.509 -5.097 12.418 489 H ASN 60 H ASN 60 -2.307 -4.850 7.627 490 HA ASN 60 HA ASN 60 -5.215 -4.650 7.634 491 1HB ASN 60 1HB ASN 60 -5.286 -4.171 5.218 492 2HB ASN 60 2HB ASN 60 -4.693 -2.817 6.180 493 1HD2 ASN 60 1HD2 ASN 60 -4.001 -4.947 3.534 494 2HD2 ASN 60 2HD2 ASN 60 -2.391 -4.350 3.206 495 H SER 61 H SER 61 -6.178 -6.429 6.741 496 HA SER 61 HA SER 61 -4.419 -8.720 6.006 497 1HB SER 61 1HB SER 61 -6.758 -8.737 7.957 498 2HB SER 61 2HB SER 61 -5.776 -10.133 7.473 499 HG SER 61 HG SER 61 -3.947 -8.933 8.314 500 H PHE 62 H PHE 62 -5.077 -9.841 4.273 501 HA PHE 62 HA PHE 62 -7.841 -9.818 3.313 502 1HB PHE 62 1HB PHE 62 -7.259 -8.730 1.193 503 2HB PHE 62 2HB PHE 62 -7.039 -7.639 2.546 504 HD1 PHE 62 HD1 PHE 62 -4.699 -7.134 3.407 505 HD2 PHE 62 HD2 PHE 62 -5.390 -9.366 -0.212 506 HE1 PHE 62 HE1 PHE 62 -2.360 -6.743 2.710 507 HE2 PHE 62 HE2 PHE 62 -3.092 -8.822 -0.984 508 HZ PHE 62 HZ PHE 62 -1.582 -7.480 0.468 509 H THR 63 H THR 63 -7.830 -10.909 1.039 510 HA THR 63 HA THR 63 -5.790 -13.024 0.784 511 HB THR 63 HB THR 63 -8.782 -13.560 1.112 512 HG1 THR 63 HG1 THR 63 -8.173 -14.481 3.082 513 1HG2 THR 63 1HG2 THR 63 -8.123 -15.934 1.217 514 2HG2 THR 63 2HG2 THR 63 -7.624 -15.245 -0.331 515 3HG2 THR 63 3HG2 THR 63 -6.430 -15.494 0.957 516 H LEU 64 H LEU 64 -5.740 -13.926 -1.328 517 HA LEU 64 HA LEU 64 -6.804 -12.140 -3.369 518 1HB LEU 64 1HB LEU 64 -5.530 -13.467 -4.942 519 2HB LEU 64 2HB LEU 64 -4.574 -12.979 -3.550 520 HG LEU 64 HG LEU 64 -4.875 -15.314 -2.603 521 1HD1 LEU 64 1HD1 LEU 64 -6.072 -15.816 -5.358 522 2HD1 LEU 64 2HD1 LEU 64 -5.327 -17.092 -4.376 523 3HD1 LEU 64 3HD1 LEU 64 -6.752 -16.262 -3.773 524 1HD2 LEU 64 1HD2 LEU 64 -3.540 -15.077 -5.325 525 2HD2 LEU 64 2HD2 LEU 64 -2.840 -14.529 -3.788 526 3HD2 LEU 64 3HD2 LEU 64 -3.140 -16.252 -4.054 527 H GLY 65 H GLY 65 -7.860 -13.042 -5.357 528 1HA GLY 65 1HA GLY 65 -9.247 -14.485 -6.491 529 2HA GLY 65 2HA GLY 65 -9.390 -15.520 -5.067 530 H LYS 66 H LYS 66 -10.270 -13.457 -3.220 531 HA LYS 66 HA LYS 66 -13.100 -13.201 -4.153 532 1HB LYS 66 1HB LYS 66 -12.076 -14.913 -2.277 533 2HB LYS 66 2HB LYS 66 -12.420 -13.516 -1.257 534 1HG LYS 66 1HG LYS 66 -14.809 -13.585 -2.140 535 2HG LYS 66 2HG LYS 66 -14.357 -15.021 -3.078 536 1HD LYS 66 1HD LYS 66 -13.813 -16.234 -0.999 537 2HD LYS 66 2HD LYS 66 -14.090 -14.769 -0.048 538 1HE LYS 66 1HE LYS 66 -16.018 -16.203 0.178 539 2HE LYS 66 2HE LYS 66 -16.481 -14.757 -0.736 540 1HZ LYS 66 1HZ LYS 66 -15.857 -17.394 -1.880 541 2HZ LYS 66 2HZ LYS 66 -17.361 -16.746 -1.699 542 3HZ LYS 66 3HZ LYS 66 -16.289 -16.056 -2.742 543 H GLU 67 H GLU 67 -14.219 -11.777 -2.201 544 HA GLU 67 HA GLU 67 -13.462 -9.087 -2.548 545 1HB GLU 67 1HB GLU 67 -15.101 -8.629 -0.799 546 2HB GLU 67 2HB GLU 67 -15.729 -9.807 -1.959 547 1HG GLU 67 1HG GLU 67 -15.203 -11.654 -0.360 548 2HG GLU 67 2HG GLU 67 -14.597 -10.467 0.804 549 HE2 GLU 67 HE2 GLU 67 -17.742 -9.397 1.818 550 H ALA 68 H ALA 68 -12.413 -7.662 -1.229 551 HA ALA 68 HA ALA 68 -10.662 -8.726 0.946 552 1HB ALA 68 1HB ALA 68 -9.465 -9.118 -1.105 553 2HB ALA 68 2HB ALA 68 -9.846 -7.486 -1.690 554 3HB ALA 68 3HB ALA 68 -8.751 -7.698 -0.306 555 H ASP 69 H ASP 69 -11.322 -7.463 2.554 556 HA ASP 69 HA ASP 69 -11.651 -4.591 2.437 557 1HB ASP 69 1HB ASP 69 -11.486 -4.776 4.905 558 2HB ASP 69 2HB ASP 69 -12.675 -5.892 4.218 559 HD2 ASP 69 HD2 ASP 69 -9.274 -7.275 5.928 560 H ILE 70 H ILE 70 -9.970 -3.120 2.269 561 HA ILE 70 HA ILE 70 -7.397 -3.787 3.512 562 HB ILE 70 HB ILE 70 -7.197 -4.525 1.220 563 1HG1 ILE 70 1HG1 ILE 70 -5.548 -1.989 1.542 564 2HG1 ILE 70 2HG1 ILE 70 -5.331 -3.405 2.580 565 1HG2 ILE 70 1HG2 ILE 70 -7.221 -2.973 -0.697 566 2HG2 ILE 70 2HG2 ILE 70 -8.800 -3.015 0.092 567 3HG2 ILE 70 3HG2 ILE 70 -7.705 -1.642 0.363 568 1HD1 ILE 70 1HD1 ILE 70 -3.704 -3.489 0.815 569 2HD1 ILE 70 2HD1 ILE 70 -4.870 -4.806 0.584 570 3HD1 ILE 70 3HD1 ILE 70 -4.957 -3.344 -0.433 571 H THR 71 H THR 71 -6.238 -2.064 4.209 572 HA THR 71 HA THR 71 -7.775 0.422 4.566 573 HB THR 71 HB THR 71 -5.141 -0.356 5.841 574 HG1 THR 71 HG1 THR 71 -6.445 -1.113 7.534 575 1HG2 THR 71 1HG2 THR 71 -5.768 2.053 6.083 576 2HG2 THR 71 2HG2 THR 71 -7.369 1.578 6.673 577 3HG2 THR 71 3HG2 THR 71 -5.920 1.208 7.624 578 H THR 72 H THR 72 -7.042 2.440 3.948 579 HA THR 72 HA THR 72 -5.221 2.745 1.736 580 HB THR 72 HB THR 72 -5.535 5.190 2.330 581 HG1 THR 72 HG1 THR 72 -5.788 4.857 4.570 582 1HG2 THR 72 1HG2 THR 72 -7.120 4.046 0.805 583 2HG2 THR 72 2HG2 THR 72 -8.107 3.560 2.192 584 3HG2 THR 72 3HG2 THR 72 -7.926 5.277 1.800 585 H MET 73 H MET 73 -3.472 4.658 2.163 586 HA MET 73 HA MET 73 -1.436 3.560 3.934 587 1HB MET 73 1HB MET 73 -1.525 6.094 2.239 588 2HB MET 73 2HB MET 73 -0.148 5.555 3.211 589 1HG MET 73 1HG MET 73 0.276 4.918 0.984 590 2HG MET 73 2HG MET 73 -0.041 3.449 1.899 591 1HE MET 73 1HE MET 73 -2.733 1.719 0.019 592 2HE MET 73 2HE MET 73 -0.977 1.596 0.280 593 3HE MET 73 3HE MET 73 -2.057 1.958 1.643 594 H ASP 74 H ASP 74 -2.773 3.631 5.842 595 HA ASP 74 HA ASP 74 -3.322 4.361 7.874 596 1HB ASP 74 1HB ASP 74 -1.002 5.242 7.927 597 2HB ASP 74 2HB ASP 74 -1.566 6.787 7.287 598 HD2 ASP 74 HD2 ASP 74 -1.550 7.623 10.676 599 H GLY 75 H GLY 75 -5.546 4.513 7.189 600 1HA GLY 75 1HA GLY 75 -6.663 7.110 7.683 601 2HA GLY 75 2HA GLY 75 -6.765 6.708 5.960 602 H LYS 76 H LYS 76 -7.959 4.764 5.344 603 HA LYS 76 HA LYS 76 -10.068 3.915 7.235 604 1HB LYS 76 1HB LYS 76 -10.355 6.248 5.791 605 2HB LYS 76 2HB LYS 76 -10.911 5.088 4.596 606 1HG LYS 76 1HG LYS 76 -12.792 5.909 5.748 607 2HG LYS 76 2HG LYS 76 -12.588 4.251 6.327 608 1HD LYS 76 1HD LYS 76 -11.651 5.016 8.425 609 2HD LYS 76 2HD LYS 76 -11.440 6.664 7.826 610 1HE LYS 76 1HE LYS 76 -14.158 5.325 8.175 611 2HE LYS 76 2HE LYS 76 -13.380 6.334 9.405 612 1HZ LYS 76 1HZ LYS 76 -14.910 7.589 8.100 613 2HZ LYS 76 2HZ LYS 76 -13.377 8.148 7.875 614 3HZ LYS 76 3HZ LYS 76 -14.103 7.238 6.709 615 H LYS 77 H LYS 77 -11.483 2.259 6.280 616 HA LYS 77 HA LYS 77 -9.920 0.481 4.530 617 1HB LYS 77 1HB LYS 77 -11.307 -1.284 5.269 618 2HB LYS 77 2HB LYS 77 -10.719 -0.371 6.662 619 1HG LYS 77 1HG LYS 77 -12.943 0.804 6.770 620 2HG LYS 77 2HG LYS 77 -13.511 -0.225 5.435 621 1HD LYS 77 1HD LYS 77 -12.929 -2.247 6.820 622 2HD LYS 77 2HD LYS 77 -12.560 -1.172 8.177 623 1HE LYS 77 1HE LYS 77 -15.256 -1.437 6.759 624 2HE LYS 77 2HE LYS 77 -14.834 -2.144 8.327 625 1HZ LYS 77 1HZ LYS 77 -14.526 0.063 9.181 626 2HZ LYS 77 2HZ LYS 77 -14.935 0.725 7.726 627 3HZ LYS 77 3HZ LYS 77 -16.048 -0.129 8.585 628 H LEU 78 H LEU 78 -10.703 -0.510 2.692 629 HA LEU 78 HA LEU 78 -13.265 0.379 1.517 630 1HB LEU 78 1HB LEU 78 -12.223 0.784 -0.631 631 2HB LEU 78 2HB LEU 78 -11.577 1.900 0.568 632 HG LEU 78 HG LEU 78 -9.962 -0.592 0.312 633 1HD1 LEU 78 1HD1 LEU 78 -10.186 1.265 -2.072 634 2HD1 LEU 78 2HD1 LEU 78 -8.995 -0.042 -1.840 635 3HD1 LEU 78 3HD1 LEU 78 -10.711 -0.433 -2.014 636 1HD2 LEU 78 1HD2 LEU 78 -8.112 0.996 0.220 637 2HD2 LEU 78 2HD2 LEU 78 -9.247 2.352 0.044 638 3HD2 LEU 78 3HD2 LEU 78 -9.204 1.413 1.553 639 H LYS 79 H LYS 79 -13.879 -1.039 -0.314 640 HA LYS 79 HA LYS 79 -12.945 -3.841 0.082 641 1HB LYS 79 1HB LYS 79 -15.326 -3.336 0.526 642 2HB LYS 79 2HB LYS 79 -15.520 -2.789 -1.151 643 1HG LYS 79 1HG LYS 79 -14.812 -5.060 -1.939 644 2HG LYS 79 2HG LYS 79 -14.685 -5.597 -0.256 645 1HD LYS 79 1HD LYS 79 -17.228 -4.568 -1.607 646 2HD LYS 79 2HD LYS 79 -16.783 -6.273 -1.441 647 1HE LYS 79 1HE LYS 79 -16.783 -6.030 1.043 648 2HE LYS 79 2HE LYS 79 -17.326 -4.349 0.867 649 1HZ LYS 79 1HZ LYS 79 -19.139 -5.808 1.267 650 2HZ LYS 79 2HZ LYS 79 -19.276 -5.156 -0.241 651 3HZ LYS 79 3HZ LYS 79 -18.782 -6.719 -0.059 652 H CYS 80 H CYS 80 -12.157 -4.979 -1.652 653 HA CYS 80 HA CYS 80 -12.436 -4.043 -4.391 654 1HB CYS 80 1HB CYS 80 -10.033 -3.922 -4.861 655 2HB CYS 80 2HB CYS 80 -10.414 -2.767 -3.574 656 HG CYS 80 HG CYS 80 -9.818 -4.451 -1.613 657 H THR 81 H THR 81 -11.181 -5.701 -5.839 658 HA THR 81 HA THR 81 -11.441 -8.446 -4.664 659 HB THR 81 HB THR 81 -11.701 -7.563 -7.563 660 HG1 THR 81 HG1 THR 81 -13.876 -8.168 -7.178 661 1HG2 THR 81 1HG2 THR 81 -12.084 -10.272 -6.189 662 2HG2 THR 81 2HG2 THR 81 -12.474 -9.913 -7.884 663 3HG2 THR 81 3HG2 THR 81 -10.789 -9.868 -7.338 664 H VAL 82 H VAL 82 -9.398 -8.697 -3.846 665 HA VAL 82 HA VAL 82 -7.009 -7.964 -5.319 666 HB VAL 82 HB VAL 82 -7.489 -9.689 -2.862 667 1HG1 VAL 82 1HG1 VAL 82 -5.386 -10.450 -3.967 668 2HG1 VAL 82 2HG1 VAL 82 -4.820 -8.775 -4.030 669 3HG1 VAL 82 3HG1 VAL 82 -5.051 -9.581 -2.474 670 1HG2 VAL 82 1HG2 VAL 82 -6.589 -7.786 -1.633 671 2HG2 VAL 82 2HG2 VAL 82 -6.216 -6.927 -3.137 672 3HG2 VAL 82 3HG2 VAL 82 -7.892 -7.199 -2.677 673 H HIS 83 H HIS 83 -5.812 -9.233 -6.714 674 HA HIS 83 HA HIS 83 -6.162 -12.113 -6.752 675 1HB HIS 83 1HB HIS 83 -6.559 -12.117 -9.211 676 2HB HIS 83 2HB HIS 83 -7.926 -11.589 -8.231 677 HD1 HIS 83 HD1 HIS 83 -8.427 -8.918 -8.193 678 HD2 HIS 83 HD2 HIS 83 -5.754 -10.349 -11.139 679 HE1 HIS 83 HE1 HIS 83 -8.268 -7.130 -10.006 680 HE2 HIS 83 HE2 HIS 83 -6.638 -7.979 -11.798 681 H LEU 84 H LEU 84 -4.535 -13.151 -8.019 682 HA LEU 84 HA LEU 84 -2.017 -11.566 -8.144 683 1HB LEU 84 1HB LEU 84 -2.288 -13.261 -6.389 684 2HB LEU 84 2HB LEU 84 -2.393 -14.537 -7.611 685 HG LEU 84 HG LEU 84 -0.026 -12.622 -7.537 686 1HD1 LEU 84 1HD1 LEU 84 -0.343 -15.112 -5.811 687 2HD1 LEU 84 2HD1 LEU 84 1.135 -14.139 -5.982 688 3HD1 LEU 84 3HD1 LEU 84 -0.302 -13.437 -5.224 689 1HD2 LEU 84 1HD2 LEU 84 -0.117 -14.189 -9.452 690 2HD2 LEU 84 2HD2 LEU 84 1.192 -14.637 -8.349 691 3HD2 LEU 84 3HD2 LEU 84 -0.318 -15.558 -8.338 692 H ALA 85 H ALA 85 -1.168 -11.332 -10.069 693 HA ALA 85 HA ALA 85 -2.592 -12.402 -12.396 694 1HB ALA 85 1HB ALA 85 -0.355 -10.351 -12.134 695 2HB ALA 85 2HB ALA 85 -1.213 -10.768 -13.636 696 3HB ALA 85 3HB ALA 85 -2.096 -10.034 -12.282 697 H ASN 86 H ASN 86 0.924 -12.027 -11.712 698 HA ASN 86 HA ASN 86 1.496 -14.796 -12.400 699 1HB ASN 86 1HB ASN 86 1.240 -13.788 -14.653 700 2HB ASN 86 2HB ASN 86 2.408 -12.529 -14.233 701 1HD2 ASN 86 1HD2 ASN 86 2.094 -16.142 -14.253 702 2HD2 ASN 86 2HD2 ASN 86 3.722 -16.439 -14.827 703 H GLY 87 H GLY 87 2.147 -14.563 -10.190 704 1HA GLY 87 1HA GLY 87 3.622 -14.247 -8.482 705 2HA GLY 87 2HA GLY 87 4.892 -14.062 -9.700 706 H LYS 88 H LYS 88 2.051 -11.972 -9.550 707 HA LYS 88 HA LYS 88 3.330 -9.711 -8.198 708 1HB LYS 88 1HB LYS 88 2.404 -9.589 -11.104 709 2HB LYS 88 2HB LYS 88 2.933 -8.215 -10.127 710 1HG LYS 88 1HG LYS 88 4.706 -10.539 -10.998 711 2HG LYS 88 2HG LYS 88 4.612 -8.973 -11.785 712 1HD LYS 88 1HD LYS 88 5.462 -7.807 -9.904 713 2HD LYS 88 2HD LYS 88 5.402 -9.224 -8.852 714 1HE LYS 88 1HE LYS 88 7.221 -8.913 -11.278 715 2HE LYS 88 2HE LYS 88 7.684 -8.739 -9.577 716 1HZ LYS 88 1HZ LYS 88 6.906 -11.041 -9.274 717 2HZ LYS 88 2HZ LYS 88 6.800 -11.185 -10.908 718 3HZ LYS 88 3HZ LYS 88 8.261 -10.873 -10.206 719 H LEU 89 H LEU 89 1.689 -8.345 -7.346 720 HA LEU 89 HA LEU 89 -1.030 -9.544 -7.445 721 1HB LEU 89 1HB LEU 89 0.216 -7.429 -5.662 722 2HB LEU 89 2HB LEU 89 -1.489 -7.853 -5.642 723 HG LEU 89 HG LEU 89 -0.412 -8.903 -3.813 724 1HD1 LEU 89 1HD1 LEU 89 -1.157 -11.168 -4.069 725 2HD1 LEU 89 2HD1 LEU 89 -2.254 -10.129 -4.998 726 3HD1 LEU 89 3HD1 LEU 89 -1.014 -11.093 -5.831 727 1HD2 LEU 89 1HD2 LEU 89 1.361 -10.513 -3.946 728 2HD2 LEU 89 2HD2 LEU 89 1.385 -10.457 -5.711 729 3HD2 LEU 89 3HD2 LEU 89 1.880 -9.029 -4.767 730 H VAL 90 H VAL 90 -2.732 -8.595 -8.372 731 HA VAL 90 HA VAL 90 -2.597 -5.753 -9.233 732 HB VAL 90 HB VAL 90 -3.549 -8.102 -10.940 733 1HG1 VAL 90 1HG1 VAL 90 -5.005 -6.119 -11.220 734 2HG1 VAL 90 2HG1 VAL 90 -3.575 -5.098 -11.489 735 3HG1 VAL 90 3HG1 VAL 90 -4.002 -6.371 -12.653 736 1HG2 VAL 90 1HG2 VAL 90 -1.211 -6.170 -11.277 737 2HG2 VAL 90 2HG2 VAL 90 -1.108 -7.924 -11.008 738 3HG2 VAL 90 3HG2 VAL 90 -1.777 -7.302 -12.521 739 H THR 91 H THR 91 -4.304 -4.745 -8.286 740 HA THR 91 HA THR 91 -6.687 -6.365 -7.500 741 HB THR 91 HB THR 91 -6.608 -5.512 -5.308 742 HG1 THR 91 HG1 THR 91 -5.914 -3.393 -5.892 743 1HG2 THR 91 1HG2 THR 91 -4.867 -7.318 -5.802 744 2HG2 THR 91 2HG2 THR 91 -3.657 -6.034 -5.948 745 3HG2 THR 91 3HG2 THR 91 -4.478 -6.280 -4.410 746 H LYS 92 H LYS 92 -8.652 -5.280 -7.576 747 HA LYS 92 HA LYS 92 -8.692 -2.441 -8.350 748 1HB LYS 92 1HB LYS 92 -8.259 -3.610 -10.450 749 2HB LYS 92 2HB LYS 92 -9.648 -4.674 -10.183 750 1HG LYS 92 1HG LYS 92 -11.205 -2.887 -10.403 751 2HG LYS 92 2HG LYS 92 -9.942 -1.642 -10.342 752 1HD LYS 92 1HD LYS 92 -10.088 -3.735 -12.550 753 2HD LYS 92 2HD LYS 92 -10.993 -2.213 -12.610 754 1HE LYS 92 1HE LYS 92 -8.915 -0.911 -12.421 755 2HE LYS 92 2HE LYS 92 -7.954 -2.403 -12.382 756 1HZ LYS 92 1HZ LYS 92 -8.747 -2.895 -14.567 757 2HZ LYS 92 2HZ LYS 92 -9.700 -1.550 -14.584 758 3HZ LYS 92 3HZ LYS 92 -8.060 -1.398 -14.549 759 H SER 93 H SER 93 -10.573 -1.429 -7.991 760 HA SER 93 HA SER 93 -12.999 -2.980 -7.252 761 1HB SER 93 1HB SER 93 -11.837 -1.908 -5.235 762 2HB SER 93 2HB SER 93 -12.198 -0.341 -5.969 763 HG SER 93 HG SER 93 -13.758 -1.366 -4.406 764 H GLU 94 H GLU 94 -14.721 -0.867 -7.159 765 HA GLU 94 HA GLU 94 -15.304 -0.433 -9.859 766 1HB GLU 94 1HB GLU 94 -17.125 0.871 -9.176 767 2HB GLU 94 2HB GLU 94 -16.946 -0.443 -8.019 768 1HG GLU 94 1HG GLU 94 -16.133 2.474 -7.582 769 2HG GLU 94 2HG GLU 94 -17.585 1.687 -6.978 770 HE2 GLU 94 HE2 GLU 94 -14.034 0.869 -5.190 771 H LYS 95 H LYS 95 -13.522 1.712 -7.638 772 HA LYS 95 HA LYS 95 -12.654 3.310 -9.992 773 1HB LYS 95 1HB LYS 95 -12.793 5.341 -8.707 774 2HB LYS 95 2HB LYS 95 -14.371 4.563 -8.903 775 1HG LYS 95 1HG LYS 95 -14.253 3.743 -6.560 776 2HG LYS 95 2HG LYS 95 -12.663 4.501 -6.378 777 1HD LYS 95 1HD LYS 95 -14.310 5.904 -5.366 778 2HD LYS 95 2HD LYS 95 -13.678 6.726 -6.803 779 1HE LYS 95 1HE LYS 95 -15.707 6.199 -8.063 780 2HE LYS 95 2HE LYS 95 -16.281 5.124 -6.772 781 1HZ LYS 95 1HZ LYS 95 -17.366 7.215 -6.692 782 2HZ LYS 95 2HZ LYS 95 -16.426 7.048 -5.352 783 3HZ LYS 95 3HZ LYS 95 -15.942 8.034 -6.580 784 H PHE 96 H PHE 96 -11.927 2.149 -6.711 785 HA PHE 96 HA PHE 96 -9.227 3.174 -6.683 786 1HB PHE 96 1HB PHE 96 -10.491 2.572 -4.644 787 2HB PHE 96 2HB PHE 96 -10.462 0.880 -5.121 788 HD1 PHE 96 HD1 PHE 96 -8.442 3.693 -3.806 789 HD2 PHE 96 HD2 PHE 96 -8.377 -0.466 -4.969 790 HE1 PHE 96 HE1 PHE 96 -6.416 3.339 -2.443 791 HE2 PHE 96 HE2 PHE 96 -6.393 -0.823 -3.544 792 HZ PHE 96 HZ PHE 96 -5.422 1.078 -2.256 793 H SER 97 H SER 97 -7.266 2.020 -7.027 794 HA SER 97 HA SER 97 -7.310 -0.741 -7.923 795 1HB SER 97 1HB SER 97 -6.378 1.479 -9.803 796 2HB SER 97 2HB SER 97 -5.958 -0.234 -10.000 797 HG SER 97 HG SER 97 -8.629 0.666 -9.803 798 H HIS 98 H HIS 98 -5.115 -1.652 -7.940 799 HA HIS 98 HA HIS 98 -2.907 -0.141 -6.831 800 1HB HIS 98 1HB HIS 98 -4.169 -0.105 -4.845 801 2HB HIS 98 2HB HIS 98 -4.806 -1.712 -5.078 802 HD1 HIS 98 HD1 HIS 98 -2.424 0.095 -3.089 803 HD2 HIS 98 HD2 HIS 98 -2.799 -3.818 -4.627 804 HE1 HIS 98 HE1 HIS 98 -1.038 -1.444 -1.594 805 HE2 HIS 98 HE2 HIS 98 -1.268 -3.824 -2.515 806 H GLU 99 H GLU 99 -1.005 -1.415 -6.689 807 HA GLU 99 HA GLU 99 -1.055 -4.144 -7.804 808 1HB GLU 99 1HB GLU 99 -1.372 -2.765 -9.759 809 2HB GLU 99 2HB GLU 99 -0.087 -1.659 -9.289 810 1HG GLU 99 1HG GLU 99 0.387 -4.598 -9.945 811 2HG GLU 99 2HG GLU 99 0.420 -3.311 -11.152 812 HE2 GLU 99 HE2 GLU 99 3.389 -1.821 -9.827 813 H GLN 100 H GLN 100 0.571 -5.250 -6.841 814 HA GLN 100 HA GLN 100 2.908 -3.731 -5.752 815 1HB GLN 100 1HB GLN 100 1.801 -6.287 -4.574 816 2HB GLN 100 2HB GLN 100 3.083 -5.262 -3.936 817 1HG GLN 100 1HG GLN 100 0.161 -4.457 -4.194 818 2HG GLN 100 2HG GLN 100 0.933 -5.086 -2.738 819 1HE2 GLN 100 1HE2 GLN 100 0.684 -2.232 -4.850 820 2HE2 GLN 100 2HE2 GLN 100 1.436 -1.138 -3.714 821 H GLU 101 H GLU 101 4.856 -4.560 -6.104 822 HA GLU 101 HA GLU 101 5.215 -7.015 -7.732 823 1HB GLU 101 1HB GLU 101 5.048 -5.458 -9.445 824 2HB GLU 101 2HB GLU 101 5.677 -4.132 -8.473 825 1HG GLU 101 1HG GLU 101 7.971 -5.020 -8.652 826 2HG GLU 101 2HG GLU 101 7.376 -6.383 -9.613 827 HE2 GLU 101 HE2 GLU 101 6.414 -3.914 -12.228 828 H VAL 102 H VAL 102 6.885 -8.169 -6.954 829 HA VAL 102 HA VAL 102 8.933 -6.826 -5.233 830 HB VAL 102 HB VAL 102 7.612 -9.539 -4.988 831 1HG1 VAL 102 1HG1 VAL 102 10.144 -8.529 -3.637 832 2HG1 VAL 102 2HG1 VAL 102 9.194 -9.916 -3.063 833 3HG1 VAL 102 3HG1 VAL 102 9.969 -9.983 -4.645 834 1HG2 VAL 102 1HG2 VAL 102 7.140 -8.752 -2.689 835 2HG2 VAL 102 2HG2 VAL 102 8.009 -7.248 -3.013 836 3HG2 VAL 102 3HG2 VAL 102 6.487 -7.593 -3.866 837 H LYS 103 H LYS 103 10.937 -7.089 -5.780 838 HA LYS 103 HA LYS 103 11.885 -9.240 -7.522 839 1HB LYS 103 1HB LYS 103 12.437 -6.263 -7.936 840 2HB LYS 103 2HB LYS 103 13.300 -7.574 -8.758 841 1HG LYS 103 1HG LYS 103 11.242 -8.313 -9.856 842 2HG LYS 103 2HG LYS 103 10.297 -7.079 -8.995 843 1HD LYS 103 1HD LYS 103 11.571 -5.283 -10.031 844 2HD LYS 103 2HD LYS 103 12.589 -6.457 -10.894 845 1HE LYS 103 1HE LYS 103 10.679 -7.267 -12.171 846 2HE LYS 103 2HE LYS 103 9.557 -6.291 -11.205 847 1HZ LYS 103 1HZ LYS 103 11.656 -5.215 -12.950 848 2HZ LYS 103 2HZ LYS 103 10.045 -5.273 -13.297 849 3HZ LYS 103 3HZ LYS 103 10.583 -4.332 -12.058 850 H GLY 104 H GLY 104 14.266 -9.340 -7.357 851 1HA GLY 104 1HA GLY 104 15.540 -10.191 -5.439 852 2HA GLY 104 2HA GLY 104 16.335 -8.830 -6.226 853 H ASN 105 H ASN 105 16.263 -6.748 -5.195 854 HA ASN 105 HA ASN 105 15.387 -6.692 -2.335 855 1HB ASN 105 1HB ASN 105 17.939 -5.515 -3.510 856 2HB ASN 105 2HB ASN 105 17.367 -5.268 -1.852 857 1HD2 ASN 105 1HD2 ASN 105 19.889 -6.536 -2.952 858 2HD2 ASN 105 2HD2 ASN 105 19.962 -8.077 -2.128 859 H GLU 106 H GLU 106 13.761 -5.896 -4.546 860 HA GLU 106 HA GLU 106 13.391 -3.110 -3.774 861 1HB GLU 106 1HB GLU 106 15.026 -3.186 -5.787 862 2HB GLU 106 2HB GLU 106 13.630 -3.666 -6.750 863 1HG GLU 106 1HG GLU 106 13.894 -1.133 -5.049 864 2HG GLU 106 2HG GLU 106 14.102 -1.212 -6.801 865 HE2 GLU 106 HE2 GLU 106 10.530 -0.512 -5.402 866 H MET 107 H MET 107 11.268 -2.757 -3.546 867 HA MET 107 HA MET 107 9.312 -4.521 -4.931 868 1HB MET 107 1HB MET 107 9.473 -5.158 -2.620 869 2HB MET 107 2HB MET 107 9.323 -3.480 -2.073 870 1HG MET 107 1HG MET 107 7.001 -3.427 -2.873 871 2HG MET 107 2HG MET 107 7.174 -5.052 -3.538 872 1HE MET 107 1HE MET 107 5.042 -5.879 -2.398 873 2HE MET 107 2HE MET 107 4.729 -5.827 -0.649 874 3HE MET 107 3HE MET 107 4.722 -4.324 -1.592 875 H VAL 108 H VAL 108 8.035 -3.369 -6.271 876 HA VAL 108 HA VAL 108 7.750 -0.432 -5.932 877 HB VAL 108 HB VAL 108 6.775 -2.240 -8.174 878 1HG1 VAL 108 1HG1 VAL 108 6.908 0.796 -7.913 879 2HG1 VAL 108 2HG1 VAL 108 6.469 -0.089 -9.388 880 3HG1 VAL 108 3HG1 VAL 108 5.431 -0.190 -7.962 881 1HG2 VAL 108 1HG2 VAL 108 8.594 -1.200 -9.504 882 2HG2 VAL 108 2HG2 VAL 108 9.214 -0.422 -8.031 883 3HG2 VAL 108 3HG2 VAL 108 9.209 -2.198 -8.186 884 H GLU 109 H GLU 109 5.876 0.445 -5.218 885 HA GLU 109 HA GLU 109 3.563 -1.319 -4.573 886 1HB GLU 109 1HB GLU 109 4.875 0.802 -2.841 887 2HB GLU 109 2HB GLU 109 3.393 -0.085 -2.433 888 1HG GLU 109 1HG GLU 109 4.753 -2.196 -2.488 889 2HG GLU 109 2HG GLU 109 6.199 -1.223 -2.822 890 HE2 GLU 109 HE2 GLU 109 6.463 -1.711 0.673 891 H THR 110 H THR 110 2.395 -0.533 -6.387 892 HA THR 110 HA THR 110 2.023 2.399 -6.657 893 HB THR 110 HB THR 110 1.152 0.099 -8.441 894 HG1 THR 110 HG1 THR 110 3.400 0.351 -8.316 895 1HG2 THR 110 1HG2 THR 110 1.167 3.126 -8.828 896 2HG2 THR 110 2HG2 THR 110 0.920 1.948 -10.133 897 3HG2 THR 110 3HG2 THR 110 -0.257 2.062 -8.814 898 H ILE 111 H ILE 111 0.134 3.403 -6.107 899 HA ILE 111 HA ILE 111 -2.301 1.778 -5.650 900 HB ILE 111 HB ILE 111 -1.598 4.042 -3.771 901 1HG1 ILE 111 1HG1 ILE 111 -1.324 1.934 -2.137 902 2HG1 ILE 111 2HG1 ILE 111 -0.679 1.194 -3.589 903 1HG2 ILE 111 1HG2 ILE 111 -3.322 3.015 -2.369 904 2HG2 ILE 111 2HG2 ILE 111 -3.961 3.447 -3.949 905 3HG2 ILE 111 3HG2 ILE 111 -3.564 1.756 -3.595 906 1HD1 ILE 111 1HD1 ILE 111 1.129 2.226 -2.281 907 2HD1 ILE 111 2HD1 ILE 111 0.939 3.163 -3.772 908 3HD1 ILE 111 3HD1 ILE 111 0.272 3.777 -2.252 909 H THR 112 H THR 112 -4.180 2.813 -6.268 910 HA THR 112 HA THR 112 -4.026 5.598 -7.256 911 HB THR 112 HB THR 112 -5.242 3.292 -8.809 912 HG1 THR 112 HG1 THR 112 -2.937 3.353 -8.850 913 1HG2 THR 112 1HG2 THR 112 -5.484 4.993 -10.606 914 2HG2 THR 112 2HG2 THR 112 -6.436 5.423 -9.179 915 3HG2 THR 112 3HG2 THR 112 -4.893 6.246 -9.496 916 H PHE 113 H PHE 113 -5.722 6.730 -6.738 917 HA PHE 113 HA PHE 113 -8.112 5.492 -5.458 918 1HB PHE 113 1HB PHE 113 -6.644 6.364 -3.765 919 2HB PHE 113 2HB PHE 113 -6.412 7.867 -4.653 920 HD1 PHE 113 HD1 PHE 113 -7.537 9.729 -3.775 921 HD2 PHE 113 HD2 PHE 113 -9.284 5.816 -3.270 922 HE1 PHE 113 HE1 PHE 113 -9.316 10.702 -2.364 923 HE2 PHE 113 HE2 PHE 113 -11.078 6.804 -1.880 924 HZ PHE 113 HZ PHE 113 -11.089 9.247 -1.410 925 H GLY 114 H GLY 114 -8.699 5.584 -7.753 926 1HA GLY 114 1HA GLY 114 -9.394 6.661 -9.732 927 2HA GLY 114 2HA GLY 114 -10.744 6.733 -8.602 928 H GLY 115 H GLY 115 -7.837 8.635 -9.554 929 1HA GLY 115 1HA GLY 115 -8.654 10.961 -10.476 930 2HA GLY 115 2HA GLY 115 -9.194 11.165 -8.798 931 H VAL 116 H VAL 116 -7.149 9.793 -7.441 932 HA VAL 116 HA VAL 116 -4.743 11.510 -7.935 933 HB VAL 116 HB VAL 116 -5.908 10.565 -5.280 934 1HG1 VAL 116 1HG1 VAL 116 -4.275 12.177 -4.304 935 2HG1 VAL 116 2HG1 VAL 116 -3.472 10.859 -5.156 936 3HG1 VAL 116 3HG1 VAL 116 -3.611 12.457 -5.927 937 1HG2 VAL 116 1HG2 VAL 116 -5.984 13.319 -6.590 938 2HG2 VAL 116 2HG2 VAL 116 -7.382 12.286 -6.220 939 3HG2 VAL 116 3HG2 VAL 116 -6.431 12.977 -4.904 940 H THR 117 H THR 117 -2.735 10.483 -7.544 941 HA THR 117 HA THR 117 -2.806 7.496 -7.501 942 HB THR 117 HB THR 117 -2.380 8.563 -9.721 943 HG1 THR 117 HG1 THR 117 -0.164 7.148 -8.673 944 1HG2 THR 117 1HG2 THR 117 0.246 9.488 -8.460 945 2HG2 THR 117 2HG2 THR 117 -0.203 9.583 -10.169 946 3HG2 THR 117 3HG2 THR 117 -1.081 10.554 -8.975 947 H LEU 118 H LEU 118 -0.782 6.494 -6.782 948 HA LEU 118 HA LEU 118 1.094 8.148 -5.236 949 1HB LEU 118 1HB LEU 118 -0.194 5.608 -4.142 950 2HB LEU 118 2HB LEU 118 1.102 6.550 -3.430 951 HG LEU 118 HG LEU 118 -0.715 8.501 -3.434 952 1HD1 LEU 118 1HD1 LEU 118 -2.496 6.038 -3.064 953 2HD1 LEU 118 2HD1 LEU 118 -2.983 7.733 -3.104 954 3HD1 LEU 118 3HD1 LEU 118 -2.476 6.932 -4.587 955 1HD2 LEU 118 1HD2 LEU 118 -0.628 6.159 -1.489 956 2HD2 LEU 118 2HD2 LEU 118 0.451 7.568 -1.498 957 3HD2 LEU 118 3HD2 LEU 118 -1.265 7.773 -1.130 958 H ILE 119 H ILE 119 3.172 7.341 -5.486 959 HA ILE 119 HA ILE 119 3.404 4.433 -6.046 960 HB ILE 119 HB ILE 119 5.313 4.662 -7.385 961 1HG1 ILE 119 1HG1 ILE 119 5.595 7.222 -8.331 962 2HG1 ILE 119 2HG1 ILE 119 5.191 7.532 -6.641 963 1HG2 ILE 119 1HG2 ILE 119 3.123 6.434 -8.528 964 2HG2 ILE 119 2HG2 ILE 119 4.342 5.518 -9.435 965 3HG2 ILE 119 3HG2 ILE 119 3.117 4.656 -8.495 966 1HD1 ILE 119 1HD1 ILE 119 7.625 7.344 -6.918 967 2HD1 ILE 119 2HD1 ILE 119 7.083 5.921 -6.006 968 3HD1 ILE 119 3HD1 ILE 119 7.437 5.778 -7.733 969 H ARG 120 H ARG 120 4.445 3.426 -4.542 970 HA ARG 120 HA ARG 120 6.434 4.822 -2.820 971 1HB ARG 120 1HB ARG 120 4.295 2.790 -2.199 972 2HB ARG 120 2HB ARG 120 5.914 2.478 -1.529 973 1HG ARG 120 1HG ARG 120 5.918 4.735 -0.541 974 2HG ARG 120 2HG ARG 120 4.237 4.958 -1.111 975 1HD ARG 120 1HD ARG 120 3.488 3.093 0.253 976 2HD ARG 120 2HD ARG 120 5.157 2.693 0.715 977 HE ARG 120 HE ARG 120 4.869 5.328 1.438 978 1HH1 ARG 120 1HH1 ARG 120 3.285 2.279 2.312 979 2HH1 ARG 120 2HH1 ARG 120 2.793 2.825 3.894 980 1HH2 ARG 120 1HH2 ARG 120 4.176 6.067 3.513 981 2HH2 ARG 120 2HH2 ARG 120 3.325 4.991 4.586 982 H ARG 121 H ARG 121 8.418 3.799 -2.755 983 HA ARG 121 HA ARG 121 8.683 1.144 -4.042 984 1HB ARG 121 1HB ARG 121 10.594 3.436 -4.593 985 2HB ARG 121 2HB ARG 121 10.755 1.755 -5.129 986 1HG ARG 121 1HG ARG 121 8.651 1.954 -6.424 987 2HG ARG 121 2HG ARG 121 8.519 3.663 -5.948 988 1HD ARG 121 1HD ARG 121 10.650 4.159 -7.038 989 2HD ARG 121 2HD ARG 121 10.816 2.467 -7.534 990 HE ARG 121 HE ARG 121 8.595 2.758 -8.715 991 1HH1 ARG 121 1HH1 ARG 121 10.861 5.512 -8.450 992 2HH1 ARG 121 2HH1 ARG 121 10.206 6.303 -9.856 993 1HH2 ARG 121 1HH2 ARG 121 7.797 3.822 -10.537 994 2HH2 ARG 121 2HH2 ARG 121 8.478 5.344 -11.047 995 H SER 122 H SER 122 9.727 -0.206 -2.756 996 HA SER 122 HA SER 122 11.144 0.854 -0.368 997 1HB SER 122 1HB SER 122 9.468 -1.679 -0.527 998 2HB SER 122 2HB SER 122 10.160 -0.915 0.917 999 HG SER 122 HG SER 122 8.784 0.873 0.509 1000 H LYS 123 H LYS 123 12.720 -0.524 0.560 1001 HA LYS 123 HA LYS 123 14.180 -2.240 -1.389 1002 1HB LYS 123 1HB LYS 123 15.005 0.248 -0.564 1003 2HB LYS 123 2HB LYS 123 15.601 -0.713 0.783 1004 1HG LYS 123 1HG LYS 123 17.392 -0.603 -0.743 1005 2HG LYS 123 2HG LYS 123 16.713 -2.219 -1.009 1006 1HD LYS 123 1HD LYS 123 15.418 -1.283 -2.969 1007 2HD LYS 123 2HD LYS 123 16.146 0.300 -2.666 1008 1HE LYS 123 1HE LYS 123 18.387 -0.596 -3.099 1009 2HE LYS 123 2HE LYS 123 17.735 -2.232 -3.291 1010 1HZ LYS 123 1HZ LYS 123 16.509 -1.473 -5.182 1011 2HZ LYS 123 2HZ LYS 123 17.080 0.063 -4.996 1012 3HZ LYS 123 3HZ LYS 123 18.113 -1.162 -5.385 1013 H ARG 124 H ARG 124 14.977 -4.199 -0.557 1014 HA ARG 124 HA ARG 124 13.473 -5.159 1.627 1015 1HB ARG 124 1HB ARG 124 14.104 -6.467 -0.368 1016 2HB ARG 124 2HB ARG 124 15.793 -6.491 0.172 1017 1HG ARG 124 1HG ARG 124 15.245 -7.797 2.091 1018 2HG ARG 124 2HG ARG 124 13.514 -7.434 1.949 1019 1HD ARG 124 1HD ARG 124 13.904 -9.705 1.298 1020 2HD ARG 124 2HD ARG 124 13.331 -8.760 -0.090 1021 HE ARG 124 HE ARG 124 16.054 -8.633 -0.364 1022 1HH1 ARG 124 1HH1 ARG 124 13.740 -11.311 -0.075 1023 2HH1 ARG 124 2HH1 ARG 124 14.717 -12.415 -1.006 1024 1HH2 ARG 124 1HH2 ARG 124 17.294 -10.058 -1.585 1025 2HH2 ARG 124 2HH2 ARG 124 16.771 -11.705 -1.870 1026 H VAL 125 H VAL 125 14.064 -5.912 3.635 1027 HA VAL 125 HA VAL 125 16.686 -5.030 4.765 1028 HB VAL 125 HB VAL 125 13.927 -4.982 6.060 1029 1HG1 VAL 125 1HG1 VAL 125 16.644 -4.049 7.091 1030 2HG1 VAL 125 2HG1 VAL 125 15.091 -3.840 7.925 1031 3HG1 VAL 125 3HG1 VAL 125 15.745 -5.464 7.680 1032 1HG2 VAL 125 1HG2 VAL 125 14.209 -2.519 6.089 1033 2HG2 VAL 125 2HG2 VAL 125 15.699 -2.680 5.135 1034 3HG2 VAL 125 3HG2 VAL 125 14.134 -3.140 4.439 Start of MODEL 4 1 1H ALA 1 1H ALA 1 4.518 -16.747 -2.752 2 2H ALA 1 2H ALA 1 4.122 -15.367 -1.958 3 3H ALA 1 3H ALA 1 4.888 -15.285 -3.423 4 HA ALA 1 HA ALA 1 5.973 -16.264 -0.887 5 1HB ALA 1 1HB ALA 1 6.731 -17.734 -2.658 6 2HB ALA 1 2HB ALA 1 7.242 -16.349 -3.648 7 3HB ALA 1 3HB ALA 1 8.072 -16.705 -2.115 8 H PHE 2 H PHE 2 5.420 -14.100 -0.117 9 HA PHE 2 HA PHE 2 7.369 -11.998 -0.980 10 1HB PHE 2 1HB PHE 2 4.456 -11.656 -0.220 11 2HB PHE 2 2HB PHE 2 5.588 -10.368 -0.614 12 HD1 PHE 2 HD1 PHE 2 6.905 -11.179 -3.093 13 HD2 PHE 2 HD2 PHE 2 2.804 -11.727 -1.875 14 HE1 PHE 2 HE1 PHE 2 6.216 -11.350 -5.461 15 HE2 PHE 2 HE2 PHE 2 2.162 -12.085 -4.239 16 HZ PHE 2 HZ PHE 2 3.816 -11.730 -6.035 17 H SER 3 H SER 3 6.484 -13.961 1.516 18 HA SER 3 HA SER 3 6.291 -12.393 3.785 19 1HB SER 3 1HB SER 3 6.040 -14.863 3.710 20 2HB SER 3 2HB SER 3 7.799 -15.029 3.559 21 HG SER 3 HG SER 3 7.984 -14.008 5.580 22 H GLY 4 H GLY 4 7.622 -10.756 4.475 23 1HA GLY 4 1HA GLY 4 10.333 -10.957 5.095 24 2HA GLY 4 2HA GLY 4 10.258 -10.366 3.420 25 H THR 5 H THR 5 11.397 -8.585 4.825 26 HA THR 5 HA THR 5 9.379 -6.579 5.726 27 HB THR 5 HB THR 5 12.203 -7.014 6.765 28 HG1 THR 5 HG1 THR 5 10.735 -8.635 7.389 29 1HG2 THR 5 1HG2 THR 5 11.499 -4.648 7.029 30 2HG2 THR 5 2HG2 THR 5 9.949 -5.182 7.722 31 3HG2 THR 5 3HG2 THR 5 11.469 -5.482 8.585 32 H TRP 6 H TRP 6 9.967 -4.372 5.325 33 HA TRP 6 HA TRP 6 11.768 -3.838 3.045 34 1HB TRP 6 1HB TRP 6 8.741 -3.503 3.065 35 2HB TRP 6 2HB TRP 6 9.809 -2.824 1.847 36 HD1 TRP 6 HD1 TRP 6 8.240 -6.101 2.947 37 HE1 TRP 6 HE1 TRP 6 8.599 -7.902 1.126 38 HE3 TRP 6 HE3 TRP 6 11.348 -3.508 -0.164 39 HZ2 TRP 6 HZ2 TRP 6 10.122 -8.197 -1.284 40 HZ3 TRP 6 HZ3 TRP 6 12.370 -4.621 -2.118 41 HH2 TRP 6 HH2 TRP 6 11.741 -6.949 -2.713 42 H GLN 7 H GLN 7 12.144 -1.620 2.723 43 HA GLN 7 HA GLN 7 11.086 0.310 4.736 44 1HB GLN 7 1HB GLN 7 13.366 -0.280 5.411 45 2HB GLN 7 2HB GLN 7 13.944 -0.076 3.755 46 1HG GLN 7 1HG GLN 7 14.636 1.815 5.026 47 2HG GLN 7 2HG GLN 7 13.427 2.376 3.882 48 1HE2 GLN 7 1HE2 GLN 7 11.174 2.768 4.774 49 2HE2 GLN 7 2HE2 GLN 7 11.005 3.181 6.463 50 H VAL 8 H VAL 8 9.949 1.794 3.615 51 HA VAL 8 HA VAL 8 9.990 2.188 0.828 52 HB VAL 8 HB VAL 8 9.159 4.063 3.059 53 1HG1 VAL 8 1HG1 VAL 8 8.604 4.249 0.061 54 2HG1 VAL 8 2HG1 VAL 8 7.823 5.233 1.311 55 3HG1 VAL 8 3HG1 VAL 8 9.554 5.404 1.020 56 1HG2 VAL 8 1HG2 VAL 8 6.871 3.314 2.386 57 2HG2 VAL 8 2HG2 VAL 8 7.584 2.203 1.214 58 3HG2 VAL 8 3HG2 VAL 8 7.860 1.955 2.951 59 H TYR 9 H TYR 9 11.419 3.019 -0.460 60 HA TYR 9 HA TYR 9 13.812 4.404 0.544 61 1HB TYR 9 1HB TYR 9 14.264 2.579 -0.888 62 2HB TYR 9 2HB TYR 9 12.989 3.027 -2.017 63 HD1 TYR 9 HD1 TYR 9 13.898 3.563 -4.100 64 HD2 TYR 9 HD2 TYR 9 15.941 4.889 -0.538 65 HE1 TYR 9 HE1 TYR 9 15.433 4.918 -5.483 66 HE2 TYR 9 HE2 TYR 9 17.492 6.220 -1.929 67 HH TYR 9 HH TYR 9 18.053 6.904 -4.065 68 H ALA 10 H ALA 10 11.198 4.854 -1.910 69 HA ALA 10 HA ALA 10 11.421 7.782 -1.573 70 1HB ALA 10 1HB ALA 10 11.641 8.198 -3.955 71 2HB ALA 10 2HB ALA 10 12.994 7.182 -3.423 72 3HB ALA 10 3HB ALA 10 11.635 6.460 -4.309 73 H GLN 11 H GLN 11 9.653 8.928 -2.639 74 HA GLN 11 HA GLN 11 7.198 7.481 -3.215 75 1HB GLN 11 1HB GLN 11 5.974 8.459 -1.289 76 2HB GLN 11 2HB GLN 11 7.221 7.295 -0.826 77 1HG GLN 11 1HG GLN 11 8.765 9.288 -0.350 78 2HG GLN 11 2HG GLN 11 7.354 10.330 -0.602 79 1HE2 GLN 11 1HE2 GLN 11 7.911 10.993 1.677 80 2HE2 GLN 11 2HE2 GLN 11 7.294 10.022 2.993 81 H GLU 12 H GLU 12 5.783 8.714 -4.404 82 HA GLU 12 HA GLU 12 6.274 11.580 -4.754 83 1HB GLU 12 1HB GLU 12 7.945 10.409 -6.178 84 2HB GLU 12 2HB GLU 12 6.626 9.556 -6.997 85 1HG GLU 12 1HG GLU 12 5.737 11.715 -7.826 86 2HG GLU 12 2HG GLU 12 6.982 12.586 -6.906 87 HE2 GLU 12 HE2 GLU 12 8.447 12.594 -10.117 88 H ASN 13 H ASN 13 4.614 12.666 -5.626 89 HA ASN 13 HA ASN 13 2.508 13.261 -5.670 90 1HB ASN 13 1HB ASN 13 2.777 11.888 -7.874 91 2HB ASN 13 2HB ASN 13 1.635 10.776 -7.121 92 1HD2 ASN 13 1HD2 ASN 13 -0.513 11.739 -6.483 93 2HD2 ASN 13 2HD2 ASN 13 -1.124 13.127 -7.371 94 H TYR 14 H TYR 14 3.456 11.867 -3.456 95 HA TYR 14 HA TYR 14 1.268 10.214 -2.347 96 1HB TYR 14 1HB TYR 14 3.523 9.369 -2.119 97 2HB TYR 14 2HB TYR 14 4.102 10.913 -1.506 98 HD1 TYR 14 HD1 TYR 14 1.195 8.681 -0.541 99 HD2 TYR 14 HD2 TYR 14 4.782 10.716 0.718 100 HE1 TYR 14 HE1 TYR 14 1.002 7.641 1.696 101 HE2 TYR 14 HE2 TYR 14 4.608 9.645 2.939 102 HH TYR 14 HH TYR 14 3.440 8.169 4.266 103 H GLU 15 H GLU 15 3.224 13.110 -1.643 104 HA GLU 15 HA GLU 15 1.780 14.135 0.544 105 1HB GLU 15 1HB GLU 15 2.737 16.333 -0.123 106 2HB GLU 15 2HB GLU 15 3.908 15.047 0.158 107 1HG GLU 15 1HG GLU 15 2.965 15.767 -2.637 108 2HG GLU 15 2HG GLU 15 4.248 16.659 -1.833 109 HE2 GLU 15 HE2 GLU 15 6.673 14.192 -2.145 110 H GLU 16 H GLU 16 1.097 14.359 -2.943 111 HA GLU 16 HA GLU 16 -1.077 16.188 -2.836 112 1HB GLU 16 1HB GLU 16 -0.259 13.916 -4.666 113 2HB GLU 16 2HB GLU 16 -1.858 14.640 -4.836 114 1HG GLU 16 1HG GLU 16 -0.298 15.699 -6.368 115 2HG GLU 16 2HG GLU 16 -0.938 16.851 -5.188 116 HE2 GLU 16 HE2 GLU 16 2.280 17.874 -4.481 117 H PHE 17 H PHE 17 -1.032 12.585 -2.429 118 HA PHE 17 HA PHE 17 -3.875 12.475 -2.103 119 1HB PHE 17 1HB PHE 17 -2.527 10.555 -2.860 120 2HB PHE 17 2HB PHE 17 -1.776 10.446 -1.269 121 HD1 PHE 17 HD1 PHE 17 -5.288 10.747 -2.677 122 HD2 PHE 17 HD2 PHE 17 -2.701 8.792 0.177 123 HE1 PHE 17 HE1 PHE 17 -7.180 9.404 -1.847 124 HE2 PHE 17 HE2 PHE 17 -4.527 7.213 0.730 125 HZ PHE 17 HZ PHE 17 -6.794 7.548 -0.241 126 H LEU 18 H LEU 18 -1.147 12.558 0.228 127 HA LEU 18 HA LEU 18 -2.699 12.303 2.595 128 1HB LEU 18 1HB LEU 18 -0.135 13.853 2.087 129 2HB LEU 18 2HB LEU 18 -0.795 13.480 3.685 130 HG LEU 18 HG LEU 18 0.072 11.347 1.680 131 1HD1 LEU 18 1HD1 LEU 18 1.479 12.669 4.024 132 2HD1 LEU 18 2HD1 LEU 18 2.015 11.140 3.304 133 3HD1 LEU 18 3HD1 LEU 18 2.014 12.621 2.334 134 1HD2 LEU 18 1HD2 LEU 18 -0.626 11.191 4.647 135 2HD2 LEU 18 2HD2 LEU 18 -1.587 10.511 3.314 136 3HD2 LEU 18 3HD2 LEU 18 0.016 9.864 3.657 137 H LYS 19 H LYS 19 -1.857 15.209 0.657 138 HA LYS 19 HA LYS 19 -3.177 17.060 2.353 139 1HB LYS 19 1HB LYS 19 -1.513 17.750 0.701 140 2HB LYS 19 2HB LYS 19 -2.490 17.092 -0.613 141 1HG LYS 19 1HG LYS 19 -2.679 19.462 -0.646 142 2HG LYS 19 2HG LYS 19 -4.243 18.797 -0.185 143 1HD LYS 19 1HD LYS 19 -3.716 19.337 2.218 144 2HD LYS 19 2HD LYS 19 -2.159 20.015 1.692 145 1HE LYS 19 1HE LYS 19 -3.407 21.645 0.242 146 2HE LYS 19 2HE LYS 19 -4.936 20.965 0.836 147 1HZ LYS 19 1HZ LYS 19 -2.889 22.328 2.438 148 2HZ LYS 19 2HZ LYS 19 -4.371 22.918 2.019 149 3HZ LYS 19 3HZ LYS 19 -4.262 21.634 3.048 150 H ALA 20 H ALA 20 -4.319 15.100 -0.412 151 HA ALA 20 HA ALA 20 -6.968 16.185 -0.453 152 1HB ALA 20 1HB ALA 20 -5.977 13.476 -1.409 153 2HB ALA 20 2HB ALA 20 -7.499 14.264 -1.850 154 3HB ALA 20 3HB ALA 20 -5.956 14.983 -2.347 155 H LEU 21 H LEU 21 -5.405 13.826 1.667 156 HA LEU 21 HA LEU 21 -7.934 12.681 2.598 157 1HB LEU 21 1HB LEU 21 -5.037 12.387 3.428 158 2HB LEU 21 2HB LEU 21 -6.334 11.700 4.393 159 HG LEU 21 HG LEU 21 -5.876 10.963 1.482 160 1HD1 LEU 21 1HD1 LEU 21 -4.995 8.840 2.540 161 2HD1 LEU 21 2HD1 LEU 21 -3.977 10.258 2.838 162 3HD1 LEU 21 3HD1 LEU 21 -5.054 9.646 4.114 163 1HD2 LEU 21 1HD2 LEU 21 -7.323 9.020 2.088 164 2HD2 LEU 21 2HD2 LEU 21 -7.631 9.755 3.673 165 3HD2 LEU 21 3HD2 LEU 21 -8.206 10.543 2.188 166 H ALA 22 H ALA 22 -8.213 12.620 5.048 167 HA ALA 22 HA ALA 22 -9.180 15.078 5.857 168 1HB ALA 22 1HB ALA 22 -9.573 13.988 8.025 169 2HB ALA 22 2HB ALA 22 -9.965 12.893 6.685 170 3HB ALA 22 3HB ALA 22 -8.450 12.682 7.589 171 H LEU 23 H LEU 23 -6.077 13.567 6.802 172 HA LEU 23 HA LEU 23 -5.520 15.322 8.886 173 1HB LEU 23 1HB LEU 23 -3.261 14.613 8.857 174 2HB LEU 23 2HB LEU 23 -4.344 13.244 8.699 175 HG LEU 23 HG LEU 23 -3.156 14.377 6.163 176 1HD1 LEU 23 1HD1 LEU 23 -1.090 13.072 6.487 177 2HD1 LEU 23 2HD1 LEU 23 -1.234 14.346 7.701 178 3HD1 LEU 23 3HD1 LEU 23 -1.592 12.665 8.141 179 1HD2 LEU 23 1HD2 LEU 23 -3.069 12.013 5.525 180 2HD2 LEU 23 2HD2 LEU 23 -3.638 11.534 7.137 181 3HD2 LEU 23 3HD2 LEU 23 -4.701 12.445 6.044 182 HA PRO 24 HA PRO 24 -4.757 19.065 6.653 183 1HB PRO 24 1HB PRO 24 -3.767 20.701 8.596 184 2HB PRO 24 2HB PRO 24 -5.443 20.079 8.637 185 1HG PRO 24 1HG PRO 24 -3.019 18.927 10.044 186 2HG PRO 24 2HG PRO 24 -4.599 19.343 10.771 187 1HD PRO 24 1HD PRO 24 -4.032 16.804 9.978 188 2HD PRO 24 2HD PRO 24 -5.662 17.496 9.728 189 H GLU 25 H GLU 25 -3.026 20.570 6.043 190 HA GLU 25 HA GLU 25 -0.845 19.260 4.975 191 1HB GLU 25 1HB GLU 25 -1.941 21.459 4.332 192 2HB GLU 25 2HB GLU 25 -0.904 22.244 5.536 193 1HG GLU 25 1HG GLU 25 1.104 21.386 4.340 194 2HG GLU 25 2HG GLU 25 0.062 20.525 3.195 195 HE2 GLU 25 HE2 GLU 25 1.096 24.143 2.263 196 H ASP 26 H ASP 26 -1.085 20.868 8.130 197 HA ASP 26 HA ASP 26 1.630 21.061 8.819 198 1HB ASP 26 1HB ASP 26 -0.800 20.422 10.558 199 2HB ASP 26 2HB ASP 26 0.752 21.045 11.125 200 HD2 ASP 26 HD2 ASP 26 0.140 24.331 10.058 201 H LEU 27 H LEU 27 -0.658 18.302 9.068 202 HA LEU 27 HA LEU 27 1.407 16.605 10.288 203 1HB LEU 27 1HB LEU 27 -1.435 15.974 9.475 204 2HB LEU 27 2HB LEU 27 -0.336 14.915 10.376 205 HG LEU 27 HG LEU 27 -1.560 17.545 11.298 206 1HD1 LEU 27 1HD1 LEU 27 -1.700 14.732 12.463 207 2HD1 LEU 27 2HD1 LEU 27 -2.631 16.156 12.979 208 3HD1 LEU 27 3HD1 LEU 27 -2.930 15.422 11.392 209 1HD2 LEU 27 1HD2 LEU 27 -0.417 17.112 13.486 210 2HD2 LEU 27 2HD2 LEU 27 0.555 15.855 12.698 211 3HD2 LEU 27 3HD2 LEU 27 0.707 17.560 12.202 212 H ILE 28 H ILE 28 0.016 17.098 7.028 213 HA ILE 28 HA ILE 28 1.223 14.700 5.990 214 HB ILE 28 HB ILE 28 0.788 15.296 3.898 215 1HG1 ILE 28 1HG1 ILE 28 0.194 17.811 3.279 216 2HG1 ILE 28 2HG1 ILE 28 1.382 18.147 4.535 217 1HG2 ILE 28 1HG2 ILE 28 -1.249 17.034 5.289 218 2HG2 ILE 28 2HG2 ILE 28 -1.416 16.160 3.771 219 3HG2 ILE 28 3HG2 ILE 28 -1.262 15.262 5.288 220 1HD1 ILE 28 1HD1 ILE 28 1.767 16.418 2.058 221 2HD1 ILE 28 2HD1 ILE 28 2.405 18.053 2.309 222 3HD1 ILE 28 3HD1 ILE 28 3.027 16.706 3.275 223 H LYS 29 H LYS 29 2.448 17.944 6.717 224 HA LYS 29 HA LYS 29 4.977 17.834 5.559 225 1HB LYS 29 1HB LYS 29 3.630 19.564 7.294 226 2HB LYS 29 2HB LYS 29 4.893 18.917 8.330 227 1HG LYS 29 1HG LYS 29 5.837 20.830 7.386 228 2HG LYS 29 2HG LYS 29 6.533 19.528 6.404 229 1HD LYS 29 1HD LYS 29 4.782 19.958 4.656 230 2HD LYS 29 2HD LYS 29 4.066 21.205 5.696 231 1HE LYS 29 1HE LYS 29 6.194 22.498 5.603 232 2HE LYS 29 2HE LYS 29 6.875 21.277 4.507 233 1HZ LYS 29 1HZ LYS 29 4.498 22.927 3.987 234 2HZ LYS 29 2HZ LYS 29 5.993 23.154 3.332 235 3HZ LYS 29 3HZ LYS 29 5.125 21.802 2.959 236 H MET 30 H MET 30 3.768 16.161 8.481 237 HA MET 30 HA MET 30 6.420 15.401 9.415 238 1HB MET 30 1HB MET 30 3.678 14.290 10.152 239 2HB MET 30 2HB MET 30 5.208 13.946 10.962 240 1HG MET 30 1HG MET 30 5.450 16.344 11.528 241 2HG MET 30 2HG MET 30 3.888 16.678 10.768 242 1HE MET 30 1HE MET 30 4.679 17.527 13.749 243 2HE MET 30 2HE MET 30 3.115 17.905 12.986 244 3HE MET 30 3HE MET 30 3.162 17.144 14.595 245 H ALA 31 H ALA 31 3.654 13.630 7.956 246 HA ALA 31 HA ALA 31 4.840 11.150 7.594 247 1HB ALA 31 1HB ALA 31 2.767 12.544 5.876 248 2HB ALA 31 2HB ALA 31 3.101 10.796 5.865 249 3HB ALA 31 3HB ALA 31 2.454 11.571 7.326 250 H ARG 32 H ARG 32 4.960 13.958 5.431 251 HA ARG 32 HA ARG 32 6.125 12.866 3.156 252 1HB ARG 32 1HB ARG 32 5.196 15.167 3.451 253 2HB ARG 32 2HB ARG 32 6.659 15.615 4.347 254 1HG ARG 32 1HG ARG 32 8.003 15.065 2.284 255 2HG ARG 32 2HG ARG 32 6.486 14.672 1.447 256 1HD ARG 32 1HD ARG 32 5.697 17.015 1.881 257 2HD ARG 32 2HD ARG 32 7.257 17.349 2.662 258 HE ARG 32 HE ARG 32 7.293 16.309 -0.111 259 1HH1 ARG 32 1HH1 ARG 32 7.530 19.221 1.933 260 2HH1 ARG 32 2HH1 ARG 32 8.314 20.161 0.690 261 1HH2 ARG 32 1HH2 ARG 32 8.317 17.568 -1.704 262 2HH2 ARG 32 2HH2 ARG 32 8.751 19.224 -1.379 263 H ASP 33 H ASP 33 7.682 13.722 6.253 264 HA ASP 33 HA ASP 33 10.292 12.711 5.200 265 1HB ASP 33 1HB ASP 33 10.220 15.194 5.575 266 2HB ASP 33 2HB ASP 33 9.859 14.891 7.280 267 HD2 ASP 33 HD2 ASP 33 13.541 13.823 5.853 268 H ILE 34 H ILE 34 8.236 11.072 6.269 269 HA ILE 34 HA ILE 34 9.830 9.879 8.483 270 HB ILE 34 HB ILE 34 6.810 10.050 8.221 271 1HG1 ILE 34 1HG1 ILE 34 8.625 10.528 10.634 272 2HG1 ILE 34 2HG1 ILE 34 8.146 11.811 9.529 273 1HG2 ILE 34 1HG2 ILE 34 7.311 7.688 8.618 274 2HG2 ILE 34 2HG2 ILE 34 8.443 8.113 9.924 275 3HG2 ILE 34 3HG2 ILE 34 6.701 8.402 10.102 276 1HD1 ILE 34 1HD1 ILE 34 5.736 11.322 10.036 277 2HD1 ILE 34 2HD1 ILE 34 6.277 10.195 11.301 278 3HD1 ILE 34 3HD1 ILE 34 6.688 11.910 11.413 279 H LYS 35 H LYS 35 10.436 7.828 8.024 280 HA LYS 35 HA LYS 35 9.665 6.722 5.388 281 1HB LYS 35 1HB LYS 35 11.718 5.545 5.374 282 2HB LYS 35 2HB LYS 35 11.949 7.272 5.608 283 1HG LYS 35 1HG LYS 35 12.268 6.753 8.127 284 2HG LYS 35 2HG LYS 35 12.295 5.052 7.657 285 1HD LYS 35 1HD LYS 35 14.539 5.682 7.815 286 2HD LYS 35 2HD LYS 35 14.171 5.478 6.103 287 1HE LYS 35 1HE LYS 35 15.609 7.420 6.475 288 2HE LYS 35 2HE LYS 35 14.058 7.952 5.825 289 1HZ LYS 35 1HZ LYS 35 14.831 8.009 8.661 290 2HZ LYS 35 2HZ LYS 35 14.823 9.305 7.643 291 3HZ LYS 35 3HZ LYS 35 13.409 8.563 8.041 292 HA PRO 36 HA PRO 36 7.491 3.970 8.315 293 1HB PRO 36 1HB PRO 36 5.576 2.956 6.685 294 2HB PRO 36 2HB PRO 36 5.524 4.651 7.254 295 1HG PRO 36 1HG PRO 36 6.607 3.658 4.622 296 2HG PRO 36 2HG PRO 36 5.413 4.962 4.881 297 1HD PRO 36 1HD PRO 36 8.049 5.502 4.555 298 2HD PRO 36 2HD PRO 36 7.073 6.422 5.738 299 H ILE 37 H ILE 37 7.951 1.863 8.818 300 HA ILE 37 HA ILE 37 9.413 0.151 6.919 301 HB ILE 37 HB ILE 37 8.293 -0.387 9.694 302 1HG1 ILE 37 1HG1 ILE 37 10.095 1.280 9.786 303 2HG1 ILE 37 2HG1 ILE 37 10.567 -0.248 10.526 304 1HG2 ILE 37 1HG2 ILE 37 8.436 -2.491 8.584 305 2HG2 ILE 37 2HG2 ILE 37 10.037 -2.120 7.920 306 3HG2 ILE 37 3HG2 ILE 37 9.826 -2.377 9.663 307 1HD1 ILE 37 1HD1 ILE 37 11.384 0.693 7.744 308 2HD1 ILE 37 2HD1 ILE 37 12.399 0.677 9.192 309 3HD1 ILE 37 3HD1 ILE 37 11.860 -0.850 8.480 310 H VAL 38 H VAL 38 8.541 -1.558 5.890 311 HA VAL 38 HA VAL 38 5.595 -2.037 6.053 312 HB VAL 38 HB VAL 38 7.366 -1.840 3.587 313 1HG1 VAL 38 1HG1 VAL 38 4.466 -2.759 3.850 314 2HG1 VAL 38 2HG1 VAL 38 5.272 -2.376 2.315 315 3HG1 VAL 38 3HG1 VAL 38 5.839 -3.738 3.282 316 1HG2 VAL 38 1HG2 VAL 38 5.773 -0.091 2.892 317 2HG2 VAL 38 2HG2 VAL 38 4.917 -0.248 4.441 318 3HG2 VAL 38 3HG2 VAL 38 6.592 0.344 4.398 319 H GLU 39 H GLU 39 5.038 -4.234 5.878 320 HA GLU 39 HA GLU 39 7.170 -6.247 5.685 321 1HB GLU 39 1HB GLU 39 7.099 -5.423 8.085 322 2HB GLU 39 2HB GLU 39 5.415 -5.968 8.167 323 1HG GLU 39 1HG GLU 39 6.193 -8.306 7.675 324 2HG GLU 39 2HG GLU 39 7.857 -7.707 7.593 325 HE2 GLU 39 HE2 GLU 39 6.026 -8.251 11.149 326 H ILE 40 H ILE 40 6.377 -8.262 5.095 327 HA ILE 40 HA ILE 40 3.441 -8.588 4.804 328 HB ILE 40 HB ILE 40 5.601 -9.142 2.716 329 1HG1 ILE 40 1HG1 ILE 40 3.671 -7.770 1.396 330 2HG1 ILE 40 2HG1 ILE 40 3.413 -7.091 3.002 331 1HG2 ILE 40 1HG2 ILE 40 2.664 -9.929 2.774 332 2HG2 ILE 40 2HG2 ILE 40 3.708 -10.012 1.337 333 3HG2 ILE 40 3HG2 ILE 40 4.071 -11.024 2.731 334 1HD1 ILE 40 1HD1 ILE 40 4.938 -5.731 1.638 335 2HD1 ILE 40 2HD1 ILE 40 5.815 -6.371 3.031 336 3HD1 ILE 40 3HD1 ILE 40 6.028 -7.118 1.434 337 H GLN 41 H GLN 41 2.731 -10.630 5.216 338 HA GLN 41 HA GLN 41 4.655 -12.831 5.532 339 1HB GLN 41 1HB GLN 41 4.447 -11.863 7.791 340 2HB GLN 41 2HB GLN 41 2.686 -12.033 7.718 341 1HG GLN 41 1HG GLN 41 2.935 -14.498 7.536 342 2HG GLN 41 2HG GLN 41 4.701 -14.320 7.555 343 1HE2 GLN 41 1HE2 GLN 41 3.961 -15.981 9.405 344 2HE2 GLN 41 2HE2 GLN 41 3.856 -15.254 10.995 345 H GLN 42 H GLN 42 3.700 -14.808 4.968 346 HA GLN 42 HA GLN 42 0.842 -14.958 4.364 347 1HB GLN 42 1HB GLN 42 1.157 -15.343 1.955 348 2HB GLN 42 2HB GLN 42 1.673 -13.734 2.453 349 1HG GLN 42 1HG GLN 42 3.472 -14.148 1.193 350 2HG GLN 42 2HG GLN 42 4.082 -15.014 2.593 351 1HE2 GLN 42 1HE2 GLN 42 3.749 -17.439 2.615 352 2HE2 GLN 42 2HE2 GLN 42 3.663 -18.272 1.077 353 H LYS 43 H LYS 43 0.141 -17.075 3.923 354 HA LYS 43 HA LYS 43 2.103 -19.243 3.900 355 1HB LYS 43 1HB LYS 43 0.851 -18.369 6.332 356 2HB LYS 43 2HB LYS 43 0.088 -19.899 5.939 357 1HG LYS 43 1HG LYS 43 3.094 -19.423 6.000 358 2HG LYS 43 2HG LYS 43 2.152 -20.066 7.352 359 1HD LYS 43 1HD LYS 43 1.554 -22.051 6.163 360 2HD LYS 43 2HD LYS 43 2.151 -21.421 4.617 361 1HE LYS 43 1HE LYS 43 4.440 -21.373 5.438 362 2HE LYS 43 2HE LYS 43 3.911 -21.894 7.051 363 1HZ LYS 43 1HZ LYS 43 3.654 -23.466 4.580 364 2HZ LYS 43 2HZ LYS 43 4.778 -23.707 5.761 365 3HZ LYS 43 3HZ LYS 43 3.181 -23.951 6.082 366 H GLY 44 H GLY 44 0.963 -18.635 1.739 367 1HA GLY 44 1HA GLY 44 0.028 -20.229 0.179 368 2HA GLY 44 2HA GLY 44 -1.261 -20.602 1.329 369 H ASP 45 H ASP 45 -3.092 -19.869 0.361 370 HA ASP 45 HA ASP 45 -3.272 -17.709 -1.460 371 1HB ASP 45 1HB ASP 45 -5.454 -19.020 0.216 372 2HB ASP 45 2HB ASP 45 -5.701 -18.001 -1.212 373 HD2 ASP 45 HD2 ASP 45 -4.381 -21.808 -1.659 374 H ASP 46 H ASP 46 -3.465 -17.808 2.045 375 HA ASP 46 HA ASP 46 -4.647 -15.193 2.430 376 1HB ASP 46 1HB ASP 46 -3.932 -15.572 4.787 377 2HB ASP 46 2HB ASP 46 -4.918 -16.883 4.125 378 HD2 ASP 46 HD2 ASP 46 -2.346 -19.267 4.178 379 H PHE 47 H PHE 47 -3.626 -13.265 2.799 380 HA PHE 47 HA PHE 47 -0.689 -13.127 3.140 381 1HB PHE 47 1HB PHE 47 -2.280 -11.617 1.037 382 2HB PHE 47 2HB PHE 47 -0.666 -11.155 1.567 383 HD1 PHE 47 HD1 PHE 47 -2.628 -13.790 -0.162 384 HD2 PHE 47 HD2 PHE 47 1.287 -12.179 0.598 385 HE1 PHE 47 HE1 PHE 47 -1.631 -15.503 -1.667 386 HE2 PHE 47 HE2 PHE 47 2.261 -13.804 -1.008 387 HZ PHE 47 HZ PHE 47 0.805 -15.455 -2.155 388 H VAL 48 H VAL 48 -0.299 -11.834 4.849 389 HA VAL 48 HA VAL 48 -2.219 -9.647 5.458 390 HB VAL 48 HB VAL 48 -2.008 -11.422 7.224 391 1HG1 VAL 48 1HG1 VAL 48 0.760 -10.221 7.678 392 2HG1 VAL 48 2HG1 VAL 48 -0.073 -11.398 8.703 393 3HG1 VAL 48 3HG1 VAL 48 0.420 -11.861 7.071 394 1HG2 VAL 48 1HG2 VAL 48 -1.249 -8.547 7.861 395 2HG2 VAL 48 2HG2 VAL 48 -2.880 -9.258 7.815 396 3HG2 VAL 48 3HG2 VAL 48 -1.751 -9.730 9.084 397 H VAL 49 H VAL 49 -1.428 -7.624 5.519 398 HA VAL 49 HA VAL 49 1.482 -7.145 4.985 399 HB VAL 49 HB VAL 49 -0.952 -5.619 3.971 400 1HG1 VAL 49 1HG1 VAL 49 0.724 -4.251 2.743 401 2HG1 VAL 49 2HG1 VAL 49 0.885 -4.064 4.493 402 3HG1 VAL 49 3HG1 VAL 49 2.031 -5.088 3.604 403 1HG2 VAL 49 1HG2 VAL 49 -0.549 -7.706 2.706 404 2HG2 VAL 49 2HG2 VAL 49 -0.129 -6.286 1.735 405 3HG2 VAL 49 3HG2 VAL 49 1.150 -7.260 2.486 406 H THR 50 H THR 50 2.413 -5.944 6.544 407 HA THR 50 HA THR 50 0.750 -4.385 8.460 408 HB THR 50 HB THR 50 3.086 -6.260 8.992 409 HG1 THR 50 HG1 THR 50 0.454 -6.162 10.037 410 1HG2 THR 50 1HG2 THR 50 3.451 -4.334 10.438 411 2HG2 THR 50 2HG2 THR 50 1.727 -4.289 10.886 412 3HG2 THR 50 3HG2 THR 50 2.755 -5.642 11.399 413 H SER 51 H SER 51 1.704 -2.551 9.301 414 HA SER 51 HA SER 51 4.140 -1.517 7.973 415 1HB SER 51 1HB SER 51 3.072 0.727 8.039 416 2HB SER 51 2HB SER 51 2.179 -0.401 7.001 417 HG SER 51 HG SER 51 0.763 -0.756 8.789 418 H LYS 52 H LYS 52 5.420 -0.162 9.313 419 HA LYS 52 HA LYS 52 4.664 0.044 12.168 420 1HB LYS 52 1HB LYS 52 6.511 -1.885 11.271 421 2HB LYS 52 2HB LYS 52 7.524 -0.557 11.857 422 1HG LYS 52 1HG LYS 52 6.281 -0.560 14.003 423 2HG LYS 52 2HG LYS 52 5.271 -1.897 13.404 424 1HD LYS 52 1HD LYS 52 7.299 -3.308 13.137 425 2HD LYS 52 2HD LYS 52 8.300 -1.985 13.767 426 1HE LYS 52 1HE LYS 52 7.055 -2.063 15.915 427 2HE LYS 52 2HE LYS 52 6.034 -3.368 15.282 428 1HZ LYS 52 1HZ LYS 52 8.939 -3.509 15.676 429 2HZ LYS 52 2HZ LYS 52 7.793 -4.205 16.633 430 3HZ LYS 52 3HZ LYS 52 7.992 -4.720 15.081 431 H THR 53 H THR 53 4.479 2.155 12.378 432 HA THR 53 HA THR 53 6.719 3.906 11.647 433 HB THR 53 HB THR 53 3.931 4.795 10.944 434 HG1 THR 53 HG1 THR 53 4.039 2.983 9.745 435 1HG2 THR 53 1HG2 THR 53 6.644 5.578 9.894 436 2HG2 THR 53 2HG2 THR 53 5.101 6.104 9.189 437 3HG2 THR 53 3HG2 THR 53 5.482 6.543 10.854 438 HA PRO 54 HA PRO 54 5.559 5.104 15.740 439 1HB PRO 54 1HB PRO 54 6.612 7.651 15.976 440 2HB PRO 54 2HB PRO 54 7.569 6.145 15.973 441 1HG PRO 54 1HG PRO 54 6.998 7.969 13.631 442 2HG PRO 54 2HG PRO 54 8.580 7.313 14.147 443 1HD PRO 54 1HD PRO 54 7.198 6.153 12.165 444 2HD PRO 54 2HD PRO 54 7.988 5.111 13.366 445 H ARG 55 H ARG 55 4.179 6.722 13.024 446 HA ARG 55 HA ARG 55 1.959 7.690 14.762 447 1HB ARG 55 1HB ARG 55 2.946 9.081 12.249 448 2HB ARG 55 2HB ARG 55 1.655 9.602 13.347 449 1HG ARG 55 1HG ARG 55 3.393 9.798 15.183 450 2HG ARG 55 2HG ARG 55 4.637 9.436 13.975 451 1HD ARG 55 1HD ARG 55 4.597 11.808 14.175 452 2HD ARG 55 2HD ARG 55 3.865 11.397 12.626 453 HE ARG 55 HE ARG 55 1.859 12.270 13.313 454 1HH1 ARG 55 1HH1 ARG 55 3.906 11.840 16.188 455 2HH1 ARG 55 2HH1 ARG 55 2.816 12.702 17.244 456 1HH2 ARG 55 1HH2 ARG 55 0.441 13.389 14.716 457 2HH2 ARG 55 2HH2 ARG 55 0.839 13.577 16.404 458 H GLN 56 H GLN 56 2.685 5.216 12.810 459 HA GLN 56 HA GLN 56 -0.008 4.819 11.938 460 1HB GLN 56 1HB GLN 56 0.825 6.478 10.178 461 2HB GLN 56 2HB GLN 56 2.022 5.284 9.713 462 1HG GLN 56 1HG GLN 56 0.350 4.932 8.177 463 2HG GLN 56 2HG GLN 56 -0.059 3.689 9.354 464 1HE2 GLN 56 1HE2 GLN 56 -1.878 4.211 10.900 465 2HE2 GLN 56 2HE2 GLN 56 -3.132 5.301 10.356 466 H THR 57 H THR 57 0.539 3.002 13.319 467 HA THR 57 HA THR 57 2.045 0.815 11.926 468 HB THR 57 HB THR 57 1.463 1.284 14.875 469 HG1 THR 57 HG1 THR 57 3.229 2.417 14.029 470 1HG2 THR 57 1HG2 THR 57 2.808 -1.097 13.518 471 2HG2 THR 57 2HG2 THR 57 2.789 -0.774 15.260 472 3HG2 THR 57 3HG2 THR 57 1.277 -1.140 14.416 473 H VAL 58 H VAL 58 0.483 -0.104 10.651 474 HA VAL 58 HA VAL 58 -2.064 -0.963 11.887 475 HB VAL 58 HB VAL 58 -1.721 0.532 9.247 476 1HG1 VAL 58 1HG1 VAL 58 -4.236 0.452 9.191 477 2HG1 VAL 58 2HG1 VAL 58 -3.476 -1.109 8.917 478 3HG1 VAL 58 3HG1 VAL 58 -4.194 -0.734 10.504 479 1HG2 VAL 58 1HG2 VAL 58 -1.678 2.071 11.157 480 2HG2 VAL 58 2HG2 VAL 58 -3.224 2.213 10.320 481 3HG2 VAL 58 3HG2 VAL 58 -3.129 1.305 11.842 482 H THR 59 H THR 59 -3.071 -2.733 10.850 483 HA THR 59 HA THR 59 -1.372 -4.353 9.025 484 HB THR 59 HB THR 59 -2.913 -5.247 11.492 485 HG1 THR 59 HG1 THR 59 -0.814 -5.892 12.100 486 1HG2 THR 59 1HG2 THR 59 -1.981 -7.517 10.941 487 2HG2 THR 59 2HG2 THR 59 -3.213 -6.982 9.792 488 3HG2 THR 59 3HG2 THR 59 -1.492 -6.881 9.357 489 H ASN 60 H ASN 60 -2.447 -5.591 7.523 490 HA ASN 60 HA ASN 60 -5.341 -5.095 7.032 491 1HB ASN 60 1HB ASN 60 -3.264 -5.220 4.823 492 2HB ASN 60 2HB ASN 60 -4.909 -4.613 4.766 493 1HD2 ASN 60 1HD2 ASN 60 -1.652 -4.015 6.091 494 2HD2 ASN 60 2HD2 ASN 60 -1.764 -2.278 6.177 495 H SER 61 H SER 61 -6.367 -7.006 6.457 496 HA SER 61 HA SER 61 -4.695 -9.443 6.015 497 1HB SER 61 1HB SER 61 -6.499 -10.641 7.270 498 2HB SER 61 2HB SER 61 -5.543 -9.520 8.256 499 HG SER 61 HG SER 61 -7.201 -8.046 8.176 500 H PHE 62 H PHE 62 -5.190 -10.633 4.236 501 HA PHE 62 HA PHE 62 -7.864 -10.620 3.097 502 1HB PHE 62 1HB PHE 62 -7.127 -9.706 0.912 503 2HB PHE 62 2HB PHE 62 -7.162 -8.513 2.198 504 HD1 PHE 62 HD1 PHE 62 -5.141 -7.381 2.923 505 HD2 PHE 62 HD2 PHE 62 -4.951 -10.575 0.028 506 HE1 PHE 62 HE1 PHE 62 -2.906 -6.597 2.196 507 HE2 PHE 62 HE2 PHE 62 -2.731 -9.779 -0.703 508 HZ PHE 62 HZ PHE 62 -1.705 -7.778 0.363 509 H THR 63 H THR 63 -7.743 -11.711 0.846 510 HA THR 63 HA THR 63 -5.786 -13.903 0.703 511 HB THR 63 HB THR 63 -8.795 -14.174 1.076 512 HG1 THR 63 HG1 THR 63 -7.406 -14.023 2.948 513 1HG2 THR 63 1HG2 THR 63 -6.766 -16.350 0.383 514 2HG2 THR 63 2HG2 THR 63 -8.438 -16.641 0.890 515 3HG2 THR 63 3HG2 THR 63 -8.119 -15.822 -0.643 516 H LEU 64 H LEU 64 -5.598 -14.696 -1.416 517 HA LEU 64 HA LEU 64 -6.297 -12.852 -3.498 518 1HB LEU 64 1HB LEU 64 -5.322 -15.724 -3.708 519 2HB LEU 64 2HB LEU 64 -5.305 -14.519 -5.002 520 HG LEU 64 HG LEU 64 -3.688 -14.384 -2.418 521 1HD1 LEU 64 1HD1 LEU 64 -2.905 -16.136 -3.907 522 2HD1 LEU 64 2HD1 LEU 64 -2.957 -15.037 -5.297 523 3HD1 LEU 64 3HD1 LEU 64 -1.779 -14.772 -3.995 524 1HD2 LEU 64 1HD2 LEU 64 -2.493 -12.506 -3.561 525 2HD2 LEU 64 2HD2 LEU 64 -3.741 -12.517 -4.827 526 3HD2 LEU 64 3HD2 LEU 64 -4.161 -12.113 -3.146 527 H GLY 65 H GLY 65 -7.885 -12.853 -5.000 528 1HA GLY 65 1HA GLY 65 -9.893 -13.284 -5.983 529 2HA GLY 65 2HA GLY 65 -9.510 -15.009 -5.815 530 H LYS 66 H LYS 66 -10.106 -12.399 -3.404 531 HA LYS 66 HA LYS 66 -12.565 -13.630 -2.426 532 1HB LYS 66 1HB LYS 66 -10.177 -14.683 -1.455 533 2HB LYS 66 2HB LYS 66 -10.427 -13.338 -0.351 534 1HG LYS 66 1HG LYS 66 -11.375 -15.262 0.651 535 2HG LYS 66 2HG LYS 66 -12.757 -14.297 0.110 536 1HD LYS 66 1HD LYS 66 -12.970 -15.762 -1.903 537 2HD LYS 66 2HD LYS 66 -11.522 -16.655 -1.403 538 1HE LYS 66 1HE LYS 66 -12.691 -17.352 0.684 539 2HE LYS 66 2HE LYS 66 -14.140 -16.474 0.153 540 1HZ LYS 66 1HZ LYS 66 -12.885 -18.733 -1.246 541 2HZ LYS 66 2HZ LYS 66 -14.272 -18.790 -0.356 542 3HZ LYS 66 3HZ LYS 66 -14.225 -17.918 -1.753 543 H GLU 67 H GLU 67 -13.391 -12.373 -0.518 544 HA GLU 67 HA GLU 67 -13.331 -9.554 -0.924 545 1HB GLU 67 1HB GLU 67 -14.162 -11.214 1.496 546 2HB GLU 67 2HB GLU 67 -14.491 -9.485 1.276 547 1HG GLU 67 1HG GLU 67 -15.768 -9.991 -0.797 548 2HG GLU 67 2HG GLU 67 -15.506 -11.725 -0.539 549 HE2 GLU 67 HE2 GLU 67 -17.595 -11.755 2.395 550 H ALA 68 H ALA 68 -11.648 -8.256 -0.519 551 HA ALA 68 HA ALA 68 -9.581 -9.052 1.493 552 1HB ALA 68 1HB ALA 68 -8.036 -7.887 -0.082 553 2HB ALA 68 2HB ALA 68 -8.843 -9.316 -0.773 554 3HB ALA 68 3HB ALA 68 -9.378 -7.685 -1.215 555 H ASP 69 H ASP 69 -10.087 -7.877 3.256 556 HA ASP 69 HA ASP 69 -10.941 -5.094 3.128 557 1HB ASP 69 1HB ASP 69 -10.824 -5.262 5.620 558 2HB ASP 69 2HB ASP 69 -11.926 -6.385 4.817 559 HD2 ASP 69 HD2 ASP 69 -8.773 -7.816 6.870 560 H ILE 70 H ILE 70 -9.512 -3.540 2.656 561 HA ILE 70 HA ILE 70 -6.771 -3.640 3.845 562 HB ILE 70 HB ILE 70 -7.504 -2.640 1.078 563 1HG1 ILE 70 1HG1 ILE 70 -6.035 -5.178 1.951 564 2HG1 ILE 70 2HG1 ILE 70 -7.612 -5.105 1.153 565 1HG2 ILE 70 1HG2 ILE 70 -5.075 -2.367 0.765 566 2HG2 ILE 70 2HG2 ILE 70 -5.617 -1.411 2.130 567 3HG2 ILE 70 3HG2 ILE 70 -4.783 -2.953 2.418 568 1HD1 ILE 70 1HD1 ILE 70 -6.506 -4.053 -0.846 569 2HD1 ILE 70 2HD1 ILE 70 -4.935 -4.427 -0.092 570 3HD1 ILE 70 3HD1 ILE 70 -6.052 -5.732 -0.502 571 H THR 71 H THR 71 -6.034 -1.739 4.689 572 HA THR 71 HA THR 71 -8.048 0.221 5.422 573 HB THR 71 HB THR 71 -5.065 0.227 6.003 574 HG1 THR 71 HG1 THR 71 -5.734 -0.808 7.923 575 1HG2 THR 71 1HG2 THR 71 -7.461 1.501 7.394 576 2HG2 THR 71 2HG2 THR 71 -5.785 1.573 7.966 577 3HG2 THR 71 3HG2 THR 71 -6.229 2.384 6.467 578 H THR 72 H THR 72 -8.329 2.275 4.590 579 HA THR 72 HA THR 72 -7.241 2.915 2.063 580 HB THR 72 HB THR 72 -9.414 3.707 2.952 581 HG1 THR 72 HG1 THR 72 -7.602 5.655 1.989 582 1HG2 THR 72 1HG2 THR 72 -9.619 5.657 4.310 583 2HG2 THR 72 2HG2 THR 72 -8.603 4.524 5.219 584 3HG2 THR 72 3HG2 THR 72 -7.873 5.911 4.376 585 H MET 73 H MET 73 -6.429 4.178 5.289 586 HA MET 73 HA MET 73 -3.675 4.345 4.797 587 1HB MET 73 1HB MET 73 -5.034 6.558 3.631 588 2HB MET 73 2HB MET 73 -4.366 7.207 5.114 589 1HG MET 73 1HG MET 73 -2.712 5.647 3.095 590 2HG MET 73 2HG MET 73 -2.955 7.388 3.065 591 1HE MET 73 1HE MET 73 -0.909 4.535 4.282 592 2HE MET 73 2HE MET 73 0.051 5.171 5.633 593 3HE MET 73 3HE MET 73 -1.622 4.664 5.910 594 H ASP 74 H ASP 74 -6.020 6.493 6.459 595 HA ASP 74 HA ASP 74 -4.509 6.687 8.829 596 1HB ASP 74 1HB ASP 74 -6.424 7.873 9.730 597 2HB ASP 74 2HB ASP 74 -6.051 8.418 8.091 598 HD2 ASP 74 HD2 ASP 74 -9.735 7.611 8.797 599 H GLY 75 H GLY 75 -7.577 4.907 8.238 600 1HA GLY 75 1HA GLY 75 -7.199 2.587 9.681 601 2HA GLY 75 2HA GLY 75 -7.614 3.794 10.912 602 H LYS 76 H LYS 76 -8.718 3.154 7.537 603 HA LYS 76 HA LYS 76 -11.444 2.575 8.471 604 1HB LYS 76 1HB LYS 76 -11.200 5.095 8.112 605 2HB LYS 76 2HB LYS 76 -10.952 4.751 6.394 606 1HG LYS 76 1HG LYS 76 -13.189 3.570 6.389 607 2HG LYS 76 2HG LYS 76 -13.380 4.033 8.098 608 1HD LYS 76 1HD LYS 76 -13.031 6.462 7.344 609 2HD LYS 76 2HD LYS 76 -13.194 5.885 5.680 610 1HE LYS 76 1HE LYS 76 -15.267 5.698 7.922 611 2HE LYS 76 2HE LYS 76 -15.326 6.772 6.514 612 1HZ LYS 76 1HZ LYS 76 -15.481 4.832 5.120 613 2HZ LYS 76 2HZ LYS 76 -15.449 3.842 6.440 614 3HZ LYS 76 3HZ LYS 76 -16.711 4.876 6.217 615 H LYS 77 H LYS 77 -11.870 0.679 7.482 616 HA LYS 77 HA LYS 77 -10.169 -0.168 5.302 617 1HB LYS 77 1HB LYS 77 -10.894 -2.354 5.754 618 2HB LYS 77 2HB LYS 77 -10.672 -1.527 7.290 619 1HG LYS 77 1HG LYS 77 -12.641 -2.517 7.771 620 2HG LYS 77 2HG LYS 77 -13.328 -1.073 7.018 621 1HD LYS 77 1HD LYS 77 -13.580 -2.341 4.876 622 2HD LYS 77 2HD LYS 77 -12.770 -3.737 5.612 623 1HE LYS 77 1HE LYS 77 -14.599 -3.884 7.305 624 2HE LYS 77 2HE LYS 77 -15.430 -2.540 6.496 625 1HZ LYS 77 1HZ LYS 77 -16.255 -4.669 5.810 626 2HZ LYS 77 2HZ LYS 77 -15.561 -3.894 4.533 627 3HZ LYS 77 3HZ LYS 77 -14.767 -5.133 5.277 628 H LEU 78 H LEU 78 -10.774 -1.082 3.345 629 HA LEU 78 HA LEU 78 -13.546 -0.714 2.387 630 1HB LEU 78 1HB LEU 78 -12.738 -0.035 0.195 631 2HB LEU 78 2HB LEU 78 -12.396 1.186 1.415 632 HG LEU 78 HG LEU 78 -10.200 -0.803 0.813 633 1HD1 LEU 78 1HD1 LEU 78 -9.465 0.498 -1.137 634 2HD1 LEU 78 2HD1 LEU 78 -11.035 -0.270 -1.432 635 3HD1 LEU 78 3HD1 LEU 78 -10.955 1.468 -1.067 636 1HD2 LEU 78 1HD2 LEU 78 -8.776 1.136 1.167 637 2HD2 LEU 78 2HD2 LEU 78 -10.178 2.225 1.180 638 3HD2 LEU 78 3HD2 LEU 78 -9.935 1.071 2.505 639 H LYS 79 H LYS 79 -14.110 -2.192 0.723 640 HA LYS 79 HA LYS 79 -12.692 -4.766 0.953 641 1HB LYS 79 1HB LYS 79 -14.664 -5.738 -0.022 642 2HB LYS 79 2HB LYS 79 -15.114 -4.698 1.338 643 1HG LYS 79 1HG LYS 79 -15.787 -2.905 -0.273 644 2HG LYS 79 2HG LYS 79 -15.340 -3.969 -1.621 645 1HD LYS 79 1HD LYS 79 -17.002 -5.645 -0.837 646 2HD LYS 79 2HD LYS 79 -17.507 -4.515 0.438 647 1HE LYS 79 1HE LYS 79 -18.105 -2.834 -1.302 648 2HE LYS 79 2HE LYS 79 -17.587 -3.962 -2.570 649 1HZ LYS 79 1HZ LYS 79 -19.782 -4.411 -0.674 650 2HZ LYS 79 2HZ LYS 79 -19.933 -4.010 -2.265 651 3HZ LYS 79 3HZ LYS 79 -19.291 -5.466 -1.844 652 H CYS 80 H CYS 80 -11.753 -5.823 -0.755 653 HA CYS 80 HA CYS 80 -11.851 -4.695 -3.500 654 1HB CYS 80 1HB CYS 80 -9.344 -5.169 -1.811 655 2HB CYS 80 2HB CYS 80 -9.338 -5.058 -3.575 656 HG CYS 80 HG CYS 80 -8.456 -2.844 -2.653 657 H THR 81 H THR 81 -10.597 -6.265 -4.973 658 HA THR 81 HA THR 81 -10.686 -9.092 -4.058 659 HB THR 81 HB THR 81 -11.780 -8.109 -6.728 660 HG1 THR 81 HG1 THR 81 -13.745 -8.864 -5.824 661 1HG2 THR 81 1HG2 THR 81 -11.705 -10.885 -5.444 662 2HG2 THR 81 2HG2 THR 81 -12.499 -10.469 -6.976 663 3HG2 THR 81 3HG2 THR 81 -10.736 -10.377 -6.843 664 H VAL 82 H VAL 82 -8.468 -8.805 -3.723 665 HA VAL 82 HA VAL 82 -6.691 -7.977 -5.861 666 HB VAL 82 HB VAL 82 -6.107 -7.526 -3.572 667 1HG1 VAL 82 1HG1 VAL 82 -7.179 -9.441 -2.411 668 2HG1 VAL 82 2HG1 VAL 82 -5.974 -10.536 -3.109 669 3HG1 VAL 82 3HG1 VAL 82 -5.480 -9.263 -1.981 670 1HG2 VAL 82 1HG2 VAL 82 -3.825 -8.246 -3.548 671 2HG2 VAL 82 2HG2 VAL 82 -4.170 -9.667 -4.545 672 3HG2 VAL 82 3HG2 VAL 82 -4.257 -8.046 -5.253 673 H HIS 83 H HIS 83 -5.228 -9.240 -6.992 674 HA HIS 83 HA HIS 83 -5.471 -12.194 -6.914 675 1HB HIS 83 1HB HIS 83 -6.856 -11.468 -8.775 676 2HB HIS 83 2HB HIS 83 -5.564 -10.401 -9.365 677 HD1 HIS 83 HD1 HIS 83 -6.136 -14.169 -8.779 678 HD2 HIS 83 HD2 HIS 83 -4.044 -11.487 -11.285 679 HE1 HIS 83 HE1 HIS 83 -4.971 -15.561 -10.585 680 HE2 HIS 83 HE2 HIS 83 -3.705 -13.943 -12.116 681 H LEU 84 H LEU 84 -3.613 -13.189 -7.798 682 HA LEU 84 HA LEU 84 -1.099 -11.590 -7.658 683 1HB LEU 84 1HB LEU 84 -1.425 -13.259 -5.915 684 2HB LEU 84 2HB LEU 84 -1.449 -14.553 -7.134 685 HG LEU 84 HG LEU 84 0.855 -12.603 -6.709 686 1HD1 LEU 84 1HD1 LEU 84 0.453 -13.869 -4.633 687 2HD1 LEU 84 2HD1 LEU 84 0.451 -15.397 -5.543 688 3HD1 LEU 84 3HD1 LEU 84 1.942 -14.437 -5.409 689 1HD2 LEU 84 1HD2 LEU 84 2.216 -14.449 -7.767 690 2HD2 LEU 84 2HD2 LEU 84 0.704 -15.304 -8.135 691 3HD2 LEU 84 3HD2 LEU 84 1.061 -13.726 -8.878 692 H ALA 85 H ALA 85 -0.426 -11.211 -9.610 693 HA ALA 85 HA ALA 85 -1.471 -12.721 -11.930 694 1HB ALA 85 1HB ALA 85 0.104 -10.133 -11.727 695 2HB ALA 85 2HB ALA 85 -0.485 -10.861 -13.238 696 3HB ALA 85 3HB ALA 85 -1.637 -10.324 -12.001 697 H ASN 86 H ASN 86 1.771 -11.436 -11.074 698 HA ASN 86 HA ASN 86 3.155 -13.900 -11.741 699 1HB ASN 86 1HB ASN 86 2.562 -13.017 -13.998 700 2HB ASN 86 2HB ASN 86 3.386 -11.503 -13.627 701 1HD2 ASN 86 1HD2 ASN 86 5.779 -11.691 -13.101 702 2HD2 ASN 86 2HD2 ASN 86 6.696 -12.922 -13.955 703 H GLY 87 H GLY 87 3.831 -13.509 -9.575 704 1HA GLY 87 1HA GLY 87 5.201 -12.738 -7.928 705 2HA GLY 87 2HA GLY 87 6.259 -12.108 -9.200 706 H LYS 88 H LYS 88 2.856 -11.154 -8.642 707 HA LYS 88 HA LYS 88 3.508 -8.693 -7.283 708 1HB LYS 88 1HB LYS 88 2.852 -7.159 -9.046 709 2HB LYS 88 2HB LYS 88 4.203 -8.157 -9.599 710 1HG LYS 88 1HG LYS 88 2.467 -9.628 -10.748 711 2HG LYS 88 2HG LYS 88 1.272 -8.367 -10.366 712 1HD LYS 88 1HD LYS 88 2.706 -6.715 -11.585 713 2HD LYS 88 2HD LYS 88 3.821 -8.042 -11.999 714 1HE LYS 88 1HE LYS 88 2.010 -9.196 -13.219 715 2HE LYS 88 2HE LYS 88 0.888 -7.879 -12.812 716 1HZ LYS 88 1HZ LYS 88 2.298 -6.389 -14.030 717 2HZ LYS 88 2HZ LYS 88 3.343 -7.607 -14.401 718 3HZ LYS 88 3HZ LYS 88 1.804 -7.631 -14.994 719 H LEU 89 H LEU 89 1.738 -7.804 -6.343 720 HA LEU 89 HA LEU 89 -0.887 -9.167 -6.563 721 1HB LEU 89 1HB LEU 89 0.330 -7.116 -4.703 722 2HB LEU 89 2HB LEU 89 -1.424 -7.211 -4.887 723 HG LEU 89 HG LEU 89 -1.494 -9.515 -4.174 724 1HD1 LEU 89 1HD1 LEU 89 0.598 -10.419 -4.992 725 2HD1 LEU 89 2HD1 LEU 89 1.537 -9.321 -3.950 726 3HD1 LEU 89 3HD1 LEU 89 0.543 -10.610 -3.235 727 1HD2 LEU 89 1HD2 LEU 89 -1.586 -7.748 -2.461 728 2HD2 LEU 89 2HD2 LEU 89 -0.754 -9.183 -1.829 729 3HD2 LEU 89 3HD2 LEU 89 0.186 -7.763 -2.325 730 H VAL 90 H VAL 90 -2.520 -8.323 -7.736 731 HA VAL 90 HA VAL 90 -2.450 -5.493 -8.597 732 HB VAL 90 HB VAL 90 -1.651 -6.835 -10.491 733 1HG1 VAL 90 1HG1 VAL 90 -2.763 -8.999 -10.006 734 2HG1 VAL 90 2HG1 VAL 90 -4.343 -8.275 -10.392 735 3HG1 VAL 90 3HG1 VAL 90 -3.106 -8.426 -11.647 736 1HG2 VAL 90 1HG2 VAL 90 -3.235 -5.998 -12.159 737 2HG2 VAL 90 2HG2 VAL 90 -4.471 -5.753 -10.912 738 3HG2 VAL 90 3HG2 VAL 90 -2.976 -4.793 -10.885 739 H THR 91 H THR 91 -4.382 -4.491 -8.366 740 HA THR 91 HA THR 91 -6.813 -6.024 -7.659 741 HB THR 91 HB THR 91 -5.706 -3.793 -5.947 742 HG1 THR 91 HG1 THR 91 -4.346 -5.736 -5.923 743 1HG2 THR 91 1HG2 THR 91 -8.062 -4.100 -5.613 744 2HG2 THR 91 2HG2 THR 91 -7.855 -5.855 -5.425 745 3HG2 THR 91 3HG2 THR 91 -7.186 -4.740 -4.214 746 H LYS 92 H LYS 92 -8.679 -4.775 -7.876 747 HA LYS 92 HA LYS 92 -8.538 -1.993 -8.803 748 1HB LYS 92 1HB LYS 92 -9.759 -4.255 -10.453 749 2HB LYS 92 2HB LYS 92 -10.043 -2.529 -10.701 750 1HG LYS 92 1HG LYS 92 -7.529 -2.240 -10.985 751 2HG LYS 92 2HG LYS 92 -7.410 -4.015 -11.024 752 1HD LYS 92 1HD LYS 92 -8.980 -4.064 -12.954 753 2HD LYS 92 2HD LYS 92 -9.095 -2.290 -12.896 754 1HE LYS 92 1HE LYS 92 -6.636 -2.130 -13.293 755 2HE LYS 92 2HE LYS 92 -6.553 -3.899 -13.422 756 1HZ LYS 92 1HZ LYS 92 -6.686 -2.845 -15.551 757 2HZ LYS 92 2HZ LYS 92 -8.030 -3.762 -15.295 758 3HZ LYS 92 3HZ LYS 92 -8.112 -2.121 -15.164 759 H SER 93 H SER 93 -10.495 -0.915 -8.600 760 HA SER 93 HA SER 93 -12.932 -2.328 -7.832 761 1HB SER 93 1HB SER 93 -11.816 -1.755 -5.653 762 2HB SER 93 2HB SER 93 -11.783 -0.054 -6.158 763 HG SER 93 HG SER 93 -13.584 -0.616 -4.822 764 H GLU 94 H GLU 94 -14.537 -0.177 -7.491 765 HA GLU 94 HA GLU 94 -14.861 0.842 -10.150 766 1HB GLU 94 1HB GLU 94 -16.090 1.680 -7.489 767 2HB GLU 94 2HB GLU 94 -16.621 2.268 -9.077 768 1HG GLU 94 1HG GLU 94 -17.137 -0.044 -9.781 769 2HG GLU 94 2HG GLU 94 -16.634 -0.659 -8.196 770 HE2 GLU 94 HE2 GLU 94 -20.350 0.084 -8.500 771 H LYS 95 H LYS 95 -13.975 2.485 -7.088 772 HA LYS 95 HA LYS 95 -13.043 4.868 -8.566 773 1HB LYS 95 1HB LYS 95 -14.660 5.049 -6.694 774 2HB LYS 95 2HB LYS 95 -13.448 4.367 -5.595 775 1HG LYS 95 1HG LYS 95 -11.943 6.278 -6.064 776 2HG LYS 95 2HG LYS 95 -13.127 6.927 -7.222 777 1HD LYS 95 1HD LYS 95 -14.753 7.274 -5.414 778 2HD LYS 95 2HD LYS 95 -13.706 6.420 -4.266 779 1HE LYS 95 1HE LYS 95 -13.485 8.808 -3.897 780 2HE LYS 95 2HE LYS 95 -11.963 8.154 -4.530 781 1HZ LYS 95 1HZ LYS 95 -12.568 8.983 -6.680 782 2HZ LYS 95 2HZ LYS 95 -13.998 9.572 -6.106 783 3HZ LYS 95 3HZ LYS 95 -12.570 10.207 -5.576 784 H PHE 96 H PHE 96 -11.836 2.244 -6.479 785 HA PHE 96 HA PHE 96 -9.197 3.547 -6.217 786 1HB PHE 96 1HB PHE 96 -10.481 2.766 -4.228 787 2HB PHE 96 2HB PHE 96 -10.364 1.118 -4.822 788 HD1 PHE 96 HD1 PHE 96 -8.266 4.058 -3.800 789 HD2 PHE 96 HD2 PHE 96 -8.468 -0.231 -4.206 790 HE1 PHE 96 HE1 PHE 96 -6.347 3.820 -2.258 791 HE2 PHE 96 HE2 PHE 96 -6.571 -0.462 -2.639 792 HZ PHE 96 HZ PHE 96 -5.503 1.563 -1.662 793 H SER 97 H SER 97 -7.255 2.336 -6.563 794 HA SER 97 HA SER 97 -7.417 -0.365 -7.596 795 1HB SER 97 1HB SER 97 -7.501 1.055 -9.693 796 2HB SER 97 2HB SER 97 -5.908 1.699 -9.258 797 HG SER 97 HG SER 97 -5.102 -0.425 -9.350 798 H HIS 98 H HIS 98 -5.341 -1.441 -7.441 799 HA HIS 98 HA HIS 98 -3.233 -0.140 -5.859 800 1HB HIS 98 1HB HIS 98 -4.558 -0.542 -4.040 801 2HB HIS 98 2HB HIS 98 -5.384 -1.914 -4.750 802 HD1 HIS 98 HD1 HIS 98 -3.655 -4.154 -5.054 803 HD2 HIS 98 HD2 HIS 98 -3.078 -1.358 -1.949 804 HE1 HIS 98 HE1 HIS 98 -2.306 -5.324 -3.222 805 HE2 HIS 98 HE2 HIS 98 -1.945 -3.626 -1.332 806 H GLU 99 H GLU 99 -1.319 -0.976 -6.427 807 HA GLU 99 HA GLU 99 -1.122 -3.745 -7.431 808 1HB GLU 99 1HB GLU 99 -1.672 -2.512 -9.406 809 2HB GLU 99 2HB GLU 99 -0.498 -1.243 -9.050 810 1HG GLU 99 1HG GLU 99 0.351 -4.140 -9.483 811 2HG GLU 99 2HG GLU 99 0.079 -3.034 -10.835 812 HE2 GLU 99 HE2 GLU 99 2.834 -0.935 -10.065 813 H GLN 100 H GLN 100 0.568 -4.635 -6.439 814 HA GLN 100 HA GLN 100 2.962 -2.974 -5.796 815 1HB GLN 100 1HB GLN 100 1.496 -4.968 -4.038 816 2HB GLN 100 2HB GLN 100 3.252 -4.821 -3.976 817 1HG GLN 100 1HG GLN 100 2.641 -3.407 -2.313 818 2HG GLN 100 2HG GLN 100 2.927 -2.285 -3.639 819 1HE2 GLN 100 1HE2 GLN 100 0.933 -1.366 -4.719 820 2HE2 GLN 100 2HE2 GLN 100 -0.523 -1.224 -3.757 821 H GLU 101 H GLU 101 4.754 -3.687 -6.600 822 HA GLU 101 HA GLU 101 4.923 -6.309 -7.991 823 1HB GLU 101 1HB GLU 101 5.386 -3.480 -8.794 824 2HB GLU 101 2HB GLU 101 6.779 -4.496 -9.125 825 1HG GLU 101 1HG GLU 101 4.001 -5.339 -9.997 826 2HG GLU 101 2HG GLU 101 4.971 -4.212 -10.946 827 HE2 GLU 101 HE2 GLU 101 6.963 -7.692 -10.499 828 H VAL 102 H VAL 102 6.623 -7.569 -7.359 829 HA VAL 102 HA VAL 102 8.616 -6.397 -5.453 830 HB VAL 102 HB VAL 102 7.231 -9.102 -5.447 831 1HG1 VAL 102 1HG1 VAL 102 9.487 -7.995 -3.725 832 2HG1 VAL 102 2HG1 VAL 102 8.512 -9.404 -3.272 833 3HG1 VAL 102 3HG1 VAL 102 9.518 -9.468 -4.722 834 1HG2 VAL 102 1HG2 VAL 102 6.356 -8.355 -3.264 835 2HG2 VAL 102 2HG2 VAL 102 7.198 -6.804 -3.441 836 3HG2 VAL 102 3HG2 VAL 102 5.856 -7.226 -4.530 837 H LYS 103 H LYS 103 10.709 -7.029 -5.638 838 HA LYS 103 HA LYS 103 11.525 -8.993 -7.639 839 1HB LYS 103 1HB LYS 103 11.668 -6.219 -8.158 840 2HB LYS 103 2HB LYS 103 13.263 -6.588 -7.522 841 1HG LYS 103 1HG LYS 103 13.404 -6.815 -9.863 842 2HG LYS 103 2HG LYS 103 13.380 -8.479 -9.260 843 1HD LYS 103 1HD LYS 103 10.941 -8.618 -9.782 844 2HD LYS 103 2HD LYS 103 10.960 -6.949 -10.357 845 1HE LYS 103 1HE LYS 103 12.586 -9.242 -11.556 846 2HE LYS 103 2HE LYS 103 11.028 -8.668 -12.173 847 1HZ LYS 103 1HZ LYS 103 12.017 -6.534 -12.554 848 2HZ LYS 103 2HZ LYS 103 13.481 -7.068 -12.017 849 3HZ LYS 103 3HZ LYS 103 12.817 -7.714 -13.377 850 H GLY 104 H GLY 104 14.186 -8.961 -7.307 851 1HA GLY 104 1HA GLY 104 14.560 -10.551 -5.110 852 2HA GLY 104 2HA GLY 104 15.862 -9.714 -5.963 853 H ASN 105 H ASN 105 15.896 -7.241 -5.352 854 HA ASN 105 HA ASN 105 15.682 -6.898 -2.392 855 1HB ASN 105 1HB ASN 105 17.858 -5.905 -2.340 856 2HB ASN 105 2HB ASN 105 17.998 -7.503 -3.080 857 1HD2 ASN 105 1HD2 ASN 105 19.967 -5.461 -3.352 858 2HD2 ASN 105 2HD2 ASN 105 20.022 -4.979 -5.036 859 H GLU 106 H GLU 106 13.823 -6.027 -4.501 860 HA GLU 106 HA GLU 106 13.696 -3.225 -3.821 861 1HB GLU 106 1HB GLU 106 15.347 -3.274 -5.750 862 2HB GLU 106 2HB GLU 106 14.105 -4.039 -6.741 863 1HG GLU 106 1HG GLU 106 14.290 -1.630 -7.189 864 2HG GLU 106 2HG GLU 106 12.691 -2.036 -6.569 865 HE2 GLU 106 HE2 GLU 106 13.089 0.657 -4.425 866 H MET 107 H MET 107 11.642 -2.345 -4.283 867 HA MET 107 HA MET 107 9.552 -4.114 -5.408 868 1HB MET 107 1HB MET 107 9.600 -4.703 -3.091 869 2HB MET 107 2HB MET 107 9.718 -3.009 -2.580 870 1HG MET 107 1HG MET 107 7.379 -2.666 -3.384 871 2HG MET 107 2HG MET 107 7.321 -4.376 -3.840 872 1HE MET 107 1HE MET 107 5.010 -4.673 -0.809 873 2HE MET 107 2HE MET 107 5.021 -3.541 -2.181 874 3HE MET 107 3HE MET 107 5.384 -5.264 -2.446 875 H VAL 108 H VAL 108 8.055 -2.956 -6.484 876 HA VAL 108 HA VAL 108 8.110 0.031 -6.349 877 HB VAL 108 HB VAL 108 7.413 -1.816 -8.674 878 1HG1 VAL 108 1HG1 VAL 108 7.238 0.323 -9.963 879 2HG1 VAL 108 2HG1 VAL 108 5.985 0.176 -8.729 880 3HG1 VAL 108 3HG1 VAL 108 7.388 1.228 -8.444 881 1HG2 VAL 108 1HG2 VAL 108 9.382 -0.739 -9.759 882 2HG2 VAL 108 2HG2 VAL 108 9.745 0.110 -8.242 883 3HG2 VAL 108 3HG2 VAL 108 9.851 -1.663 -8.326 884 H GLU 109 H GLU 109 6.150 1.024 -6.000 885 HA GLU 109 HA GLU 109 3.788 -0.707 -5.409 886 1HB GLU 109 1HB GLU 109 4.903 1.531 -3.691 887 2HB GLU 109 2HB GLU 109 3.528 0.479 -3.313 888 1HG GLU 109 1HG GLU 109 5.128 -1.468 -3.274 889 2HG GLU 109 2HG GLU 109 6.466 -0.344 -3.554 890 HE2 GLU 109 HE2 GLU 109 4.957 -0.699 0.118 891 H THR 110 H THR 110 1.858 0.165 -6.026 892 HA THR 110 HA THR 110 1.698 3.030 -6.734 893 HB THR 110 HB THR 110 0.959 0.726 -8.585 894 HG1 THR 110 HG1 THR 110 2.990 2.698 -8.688 895 1HG2 THR 110 1HG2 THR 110 -0.635 2.557 -8.872 896 2HG2 THR 110 2HG2 THR 110 0.683 3.746 -8.924 897 3HG2 THR 110 3HG2 THR 110 0.501 2.557 -10.231 898 H ILE 111 H ILE 111 -0.187 3.906 -6.143 899 HA ILE 111 HA ILE 111 -2.584 2.182 -5.740 900 HB ILE 111 HB ILE 111 -1.733 4.481 -3.941 901 1HG1 ILE 111 1HG1 ILE 111 -0.432 2.469 -3.416 902 2HG1 ILE 111 2HG1 ILE 111 -1.520 2.974 -2.123 903 1HG2 ILE 111 1HG2 ILE 111 -3.717 3.780 -2.556 904 2HG2 ILE 111 2HG2 ILE 111 -4.102 4.563 -4.087 905 3HG2 ILE 111 3HG2 ILE 111 -4.241 2.799 -3.943 906 1HD1 ILE 111 1HD1 ILE 111 -2.054 0.661 -4.028 907 2HD1 ILE 111 2HD1 ILE 111 -1.471 0.543 -2.362 908 3HD1 ILE 111 3HD1 ILE 111 -3.095 1.176 -2.681 909 H THR 112 H THR 112 -4.538 3.267 -6.269 910 HA THR 112 HA THR 112 -4.345 6.040 -7.265 911 HB THR 112 HB THR 112 -5.741 3.833 -8.815 912 HG1 THR 112 HG1 THR 112 -3.423 3.828 -8.996 913 1HG2 THR 112 1HG2 THR 112 -6.038 5.566 -10.551 914 2HG2 THR 112 2HG2 THR 112 -6.878 5.998 -9.054 915 3HG2 THR 112 3HG2 THR 112 -5.332 6.777 -9.466 916 H PHE 113 H PHE 113 -6.049 7.215 -6.676 917 HA PHE 113 HA PHE 113 -8.490 5.957 -5.536 918 1HB PHE 113 1HB PHE 113 -6.918 6.542 -3.703 919 2HB PHE 113 2HB PHE 113 -6.875 8.203 -4.267 920 HD1 PHE 113 HD1 PHE 113 -8.937 9.665 -4.042 921 HD2 PHE 113 HD2 PHE 113 -8.662 5.735 -2.277 922 HE1 PHE 113 HE1 PHE 113 -10.807 10.207 -2.523 923 HE2 PHE 113 HE2 PHE 113 -10.549 6.279 -0.784 924 HZ PHE 113 HZ PHE 113 -11.635 8.511 -0.904 925 H GLY 114 H GLY 114 -9.649 6.485 -7.407 926 1HA GLY 114 1HA GLY 114 -10.756 7.771 -8.927 927 2HA GLY 114 2HA GLY 114 -10.640 9.111 -7.774 928 H GLY 115 H GLY 115 -9.725 10.860 -8.738 929 1HA GLY 115 1HA GLY 115 -7.843 10.562 -10.997 930 2HA GLY 115 2HA GLY 115 -8.675 12.022 -10.462 931 H VAL 116 H VAL 116 -7.030 10.065 -8.023 932 HA VAL 116 HA VAL 116 -4.580 11.757 -8.203 933 HB VAL 116 HB VAL 116 -5.970 10.825 -5.654 934 1HG1 VAL 116 1HG1 VAL 116 -4.120 12.106 -4.534 935 2HG1 VAL 116 2HG1 VAL 116 -3.529 10.682 -5.391 936 3HG1 VAL 116 3HG1 VAL 116 -3.326 12.293 -6.107 937 1HG2 VAL 116 1HG2 VAL 116 -5.445 13.616 -6.782 938 2HG2 VAL 116 2HG2 VAL 116 -7.035 12.836 -6.635 939 3HG2 VAL 116 3HG2 VAL 116 -6.124 13.261 -5.180 940 H THR 117 H THR 117 -2.737 10.621 -8.177 941 HA THR 117 HA THR 117 -2.849 7.645 -7.926 942 HB THR 117 HB THR 117 -1.318 9.406 -9.890 943 HG1 THR 117 HG1 THR 117 -3.536 8.975 -10.349 944 1HG2 THR 117 1HG2 THR 117 0.108 7.520 -9.256 945 2HG2 THR 117 2HG2 THR 117 -1.245 6.384 -9.476 946 3HG2 THR 117 3HG2 THR 117 -0.556 7.246 -10.870 947 H LEU 118 H LEU 118 -1.109 6.719 -6.863 948 HA LEU 118 HA LEU 118 0.952 8.503 -5.650 949 1HB LEU 118 1HB LEU 118 -0.253 5.964 -4.486 950 2HB LEU 118 2HB LEU 118 1.055 6.924 -3.814 951 HG LEU 118 HG LEU 118 -0.546 8.812 -3.438 952 1HD1 LEU 118 1HD1 LEU 118 -3.027 8.015 -3.292 953 2HD1 LEU 118 2HD1 LEU 118 -2.438 8.484 -4.877 954 3HD1 LEU 118 3HD1 LEU 118 -2.572 6.763 -4.453 955 1HD2 LEU 118 1HD2 LEU 118 -1.390 6.172 -2.162 956 2HD2 LEU 118 2HD2 LEU 118 0.108 7.025 -1.748 957 3HD2 LEU 118 3HD2 LEU 118 -1.451 7.793 -1.448 958 H ILE 119 H ILE 119 3.016 7.842 -6.266 959 HA ILE 119 HA ILE 119 3.377 4.957 -6.844 960 HB ILE 119 HB ILE 119 4.865 5.291 -8.585 961 1HG1 ILE 119 1HG1 ILE 119 5.031 7.781 -9.561 962 2HG1 ILE 119 2HG1 ILE 119 4.886 8.206 -7.857 963 1HG2 ILE 119 1HG2 ILE 119 2.524 7.125 -9.182 964 2HG2 ILE 119 2HG2 ILE 119 3.473 6.173 -10.337 965 3HG2 ILE 119 3HG2 ILE 119 2.457 5.347 -9.147 966 1HD1 ILE 119 1HD1 ILE 119 7.255 7.950 -8.627 967 2HD1 ILE 119 2HD1 ILE 119 6.896 6.727 -7.398 968 3HD1 ILE 119 3HD1 ILE 119 6.923 6.282 -9.114 969 H ARG 120 H ARG 120 5.056 4.042 -5.752 970 HA ARG 120 HA ARG 120 7.143 5.637 -4.565 971 1HB ARG 120 1HB ARG 120 6.600 5.213 -2.231 972 2HB ARG 120 2HB ARG 120 5.260 6.071 -2.990 973 1HG ARG 120 1HG ARG 120 4.209 3.707 -3.320 974 2HG ARG 120 2HG ARG 120 5.418 3.183 -2.125 975 1HD ARG 120 1HD ARG 120 3.235 5.282 -1.785 976 2HD ARG 120 2HD ARG 120 3.308 3.672 -1.041 977 HE ARG 120 HE ARG 120 5.625 5.266 -0.365 978 1HH1 ARG 120 1HH1 ARG 120 2.197 4.787 0.460 979 2HH1 ARG 120 2HH1 ARG 120 2.360 5.494 2.047 980 1HH2 ARG 120 1HH2 ARG 120 5.790 6.254 1.715 981 2HH2 ARG 120 2HH2 ARG 120 4.399 6.274 2.769 982 H ARG 121 H ARG 121 8.452 4.036 -3.033 983 HA ARG 121 HA ARG 121 8.443 1.296 -4.082 984 1HB ARG 121 1HB ARG 121 10.685 1.546 -5.136 985 2HB ARG 121 2HB ARG 121 9.427 2.470 -5.959 986 1HG ARG 121 1HG ARG 121 10.215 4.538 -4.700 987 2HG ARG 121 2HG ARG 121 11.525 3.553 -4.030 988 1HD ARG 121 1HD ARG 121 12.395 4.759 -5.905 989 2HD ARG 121 2HD ARG 121 12.260 3.061 -6.403 990 HE ARG 121 HE ARG 121 9.848 4.312 -7.118 991 1HH1 ARG 121 1HH1 ARG 121 13.277 4.617 -7.985 992 2HH1 ARG 121 2HH1 ARG 121 12.948 5.298 -9.558 993 1HH2 ARG 121 1HH2 ARG 121 9.430 5.194 -9.186 994 2HH2 ARG 121 2HH2 ARG 121 10.749 5.617 -10.247 995 H SER 122 H SER 122 9.927 -0.064 -3.068 996 HA SER 122 HA SER 122 11.210 0.960 -0.595 997 1HB SER 122 1HB SER 122 9.485 -1.552 -0.805 998 2HB SER 122 2HB SER 122 10.366 -0.983 0.624 999 HG SER 122 HG SER 122 8.213 0.333 -0.667 1000 H LYS 123 H LYS 123 12.733 -0.491 0.319 1001 HA LYS 123 HA LYS 123 14.043 -2.369 -1.602 1002 1HB LYS 123 1HB LYS 123 15.312 -0.339 -1.474 1003 2HB LYS 123 2HB LYS 123 15.324 -0.359 0.297 1004 1HG LYS 123 1HG LYS 123 16.733 -2.260 0.405 1005 2HG LYS 123 2HG LYS 123 16.468 -2.695 -1.277 1006 1HD LYS 123 1HD LYS 123 17.984 -0.240 -0.286 1007 2HD LYS 123 2HD LYS 123 18.710 -1.740 -0.870 1008 1HE LYS 123 1HE LYS 123 17.139 0.294 -2.513 1009 2HE LYS 123 2HE LYS 123 18.847 -0.119 -2.628 1010 1HZ LYS 123 1HZ LYS 123 16.598 -1.886 -3.299 1011 2HZ LYS 123 2HZ LYS 123 17.625 -1.159 -4.348 1012 3HZ LYS 123 3HZ LYS 123 18.185 -2.331 -3.333 1013 H ARG 124 H ARG 124 14.657 -4.318 -0.744 1014 HA ARG 124 HA ARG 124 13.065 -5.191 1.411 1015 1HB ARG 124 1HB ARG 124 13.921 -6.445 -0.731 1016 2HB ARG 124 2HB ARG 124 15.355 -6.774 0.244 1017 1HG ARG 124 1HG ARG 124 13.751 -7.718 2.013 1018 2HG ARG 124 2HG ARG 124 12.447 -7.507 0.863 1019 1HD ARG 124 1HD ARG 124 13.271 -9.841 0.860 1020 2HD ARG 124 2HD ARG 124 13.490 -9.059 -0.709 1021 HE ARG 124 HE ARG 124 15.718 -9.413 -0.548 1022 1HH1 ARG 124 1HH1 ARG 124 14.452 -9.492 2.776 1023 2HH1 ARG 124 2HH1 ARG 124 16.024 -9.462 3.514 1024 1HH2 ARG 124 1HH2 ARG 124 17.783 -9.555 0.438 1025 2HH2 ARG 124 2HH2 ARG 124 17.920 -9.650 2.176 1026 H VAL 125 H VAL 125 13.598 -6.059 3.392 1027 HA VAL 125 HA VAL 125 16.324 -5.627 4.526 1028 HB VAL 125 HB VAL 125 13.592 -5.337 5.859 1029 1HG1 VAL 125 1HG1 VAL 125 14.858 -4.690 7.874 1030 2HG1 VAL 125 2HG1 VAL 125 15.256 -6.345 7.392 1031 3HG1 VAL 125 3HG1 VAL 125 16.389 -5.025 7.033 1032 1HG2 VAL 125 1HG2 VAL 125 14.208 -2.991 6.215 1033 2HG2 VAL 125 2HG2 VAL 125 15.724 -3.230 5.317 1034 3HG2 VAL 125 3HG2 VAL 125 14.155 -3.358 4.489 Start of MODEL 5 1 1H ALA 1 1H ALA 1 8.791 -13.851 -4.359 2 2H ALA 1 2H ALA 1 7.400 -13.727 -3.478 3 3H ALA 1 3H ALA 1 7.755 -12.590 -4.617 4 HA ALA 1 HA ALA 1 9.245 -13.082 -2.150 5 1HB ALA 1 1HB ALA 1 9.713 -11.045 -4.359 6 2HB ALA 1 2HB ALA 1 10.538 -11.058 -2.783 7 3HB ALA 1 3HB ALA 1 10.761 -12.406 -3.918 8 H PHE 2 H PHE 2 7.894 -12.499 -0.541 9 HA PHE 2 HA PHE 2 6.696 -9.821 -0.492 10 1HB PHE 2 1HB PHE 2 5.014 -12.364 -0.377 11 2HB PHE 2 2HB PHE 2 4.454 -10.772 0.131 12 HD1 PHE 2 HD1 PHE 2 4.955 -12.982 -2.720 13 HD2 PHE 2 HD2 PHE 2 4.424 -8.860 -1.562 14 HE1 PHE 2 HE1 PHE 2 4.531 -12.373 -5.080 15 HE2 PHE 2 HE2 PHE 2 4.025 -8.255 -3.928 16 HZ PHE 2 HZ PHE 2 4.099 -10.001 -5.694 17 H SER 3 H SER 3 6.676 -13.030 1.093 18 HA SER 3 HA SER 3 6.530 -12.260 3.771 19 1HB SER 3 1HB SER 3 7.638 -14.466 4.200 20 2HB SER 3 2HB SER 3 6.197 -14.520 3.173 21 HG SER 3 HG SER 3 7.514 -14.721 1.373 22 H GLY 4 H GLY 4 7.788 -10.554 4.487 23 1HA GLY 4 1HA GLY 4 10.408 -10.768 5.312 24 2HA GLY 4 2HA GLY 4 10.528 -10.203 3.631 25 H THR 5 H THR 5 11.547 -8.364 4.787 26 HA THR 5 HA THR 5 9.601 -6.389 5.873 27 HB THR 5 HB THR 5 12.534 -6.809 6.556 28 HG1 THR 5 HG1 THR 5 11.652 -7.557 8.514 29 1HG2 THR 5 1HG2 THR 5 12.053 -5.253 8.432 30 2HG2 THR 5 2HG2 THR 5 11.873 -4.456 6.864 31 3HG2 THR 5 3HG2 THR 5 10.430 -4.964 7.776 32 H TRP 6 H TRP 6 10.006 -4.193 5.338 33 HA TRP 6 HA TRP 6 11.410 -3.710 2.766 34 1HB TRP 6 1HB TRP 6 8.423 -3.549 3.315 35 2HB TRP 6 2HB TRP 6 9.205 -2.940 1.867 36 HD1 TRP 6 HD1 TRP 6 7.931 -6.116 3.443 37 HE1 TRP 6 HE1 TRP 6 8.170 -8.101 1.798 38 HE3 TRP 6 HE3 TRP 6 10.709 -3.827 -0.180 39 HZ2 TRP 6 HZ2 TRP 6 9.477 -8.624 -0.703 40 HZ3 TRP 6 HZ3 TRP 6 11.481 -5.101 -2.159 41 HH2 TRP 6 HH2 TRP 6 10.905 -7.502 -2.412 42 H GLN 7 H GLN 7 12.226 -1.728 2.666 43 HA GLN 7 HA GLN 7 11.194 0.465 4.420 44 1HB GLN 7 1HB GLN 7 13.965 -0.336 3.537 45 2HB GLN 7 2HB GLN 7 13.617 1.378 3.770 46 1HG GLN 7 1HG GLN 7 12.906 -0.588 5.950 47 2HG GLN 7 2HG GLN 7 14.563 -0.010 5.750 48 1HE2 GLN 7 1HE2 GLN 7 11.193 1.184 6.315 49 2HE2 GLN 7 2HE2 GLN 7 11.693 2.685 7.054 50 H VAL 8 H VAL 8 9.812 1.536 3.203 51 HA VAL 8 HA VAL 8 10.029 2.073 0.392 52 HB VAL 8 HB VAL 8 7.906 2.217 1.236 53 1HG1 VAL 8 1HG1 VAL 8 8.070 2.405 3.572 54 2HG1 VAL 8 2HG1 VAL 8 9.017 3.907 3.487 55 3HG1 VAL 8 3HG1 VAL 8 7.295 3.909 3.062 56 1HG2 VAL 8 1HG2 VAL 8 8.756 5.135 1.053 57 2HG2 VAL 8 2HG2 VAL 8 8.512 4.053 -0.340 58 3HG2 VAL 8 3HG2 VAL 8 7.156 4.453 0.730 59 H TYR 9 H TYR 9 11.500 3.278 -0.594 60 HA TYR 9 HA TYR 9 13.080 5.253 0.975 61 1HB TYR 9 1HB TYR 9 14.746 5.071 -0.713 62 2HB TYR 9 2HB TYR 9 14.356 3.496 -0.043 63 HD1 TYR 9 HD1 TYR 9 14.105 5.668 -3.041 64 HD2 TYR 9 HD2 TYR 9 13.540 1.707 -1.445 65 HE1 TYR 9 HE1 TYR 9 13.976 4.759 -5.345 66 HE2 TYR 9 HE2 TYR 9 13.506 0.790 -3.752 67 HH TYR 9 HH TYR 9 13.648 1.253 -5.993 68 H ALA 10 H ALA 10 11.098 4.910 -1.990 69 HA ALA 10 HA ALA 10 11.106 7.896 -2.283 70 1HB ALA 10 1HB ALA 10 10.745 7.492 -4.690 71 2HB ALA 10 2HB ALA 10 12.296 6.840 -4.131 72 3HB ALA 10 3HB ALA 10 10.920 5.750 -4.414 73 H GLN 11 H GLN 11 9.209 8.894 -2.793 74 HA GLN 11 HA GLN 11 6.695 7.458 -3.075 75 1HB GLN 11 1HB GLN 11 5.642 8.533 -1.142 76 2HB GLN 11 2HB GLN 11 6.936 7.436 -0.656 77 1HG GLN 11 1HG GLN 11 8.473 9.398 -0.358 78 2HG GLN 11 2HG GLN 11 7.143 10.469 -0.842 79 1HE2 GLN 11 1HE2 GLN 11 7.462 7.701 1.486 80 2HE2 GLN 11 2HE2 GLN 11 6.776 8.594 2.829 81 H GLU 12 H GLU 12 5.312 8.657 -4.329 82 HA GLU 12 HA GLU 12 5.603 11.547 -4.622 83 1HB GLU 12 1HB GLU 12 7.376 10.836 -6.084 84 2HB GLU 12 2HB GLU 12 6.357 9.600 -6.840 85 1HG GLU 12 1HG GLU 12 4.946 11.289 -7.874 86 2HG GLU 12 2HG GLU 12 5.751 12.583 -6.964 87 HE2 GLU 12 HE2 GLU 12 7.298 12.882 -10.134 88 H ASN 13 H ASN 13 3.756 12.463 -5.331 89 HA ASN 13 HA ASN 13 1.618 12.780 -5.749 90 1HB ASN 13 1HB ASN 13 2.109 11.068 -7.692 91 2HB ASN 13 2HB ASN 13 1.038 10.007 -6.774 92 1HD2 ASN 13 1HD2 ASN 13 -0.998 11.575 -5.880 93 2HD2 ASN 13 2HD2 ASN 13 -1.751 12.486 -7.179 94 H TYR 14 H TYR 14 2.347 9.690 -4.215 95 HA TYR 14 HA TYR 14 0.605 9.180 -2.230 96 1HB TYR 14 1HB TYR 14 2.770 8.149 -2.572 97 2HB TYR 14 2HB TYR 14 3.603 9.647 -2.202 98 HD1 TYR 14 HD1 TYR 14 3.701 10.515 0.140 99 HD2 TYR 14 HD2 TYR 14 2.204 6.593 -0.834 100 HE1 TYR 14 HE1 TYR 14 4.141 9.769 2.456 101 HE2 TYR 14 HE2 TYR 14 2.624 5.861 1.492 102 HH TYR 14 HH TYR 14 3.380 6.464 3.586 103 H GLU 15 H GLU 15 2.878 11.977 -2.242 104 HA GLU 15 HA GLU 15 2.164 13.059 0.259 105 1HB GLU 15 1HB GLU 15 4.165 13.649 -1.038 106 2HB GLU 15 2HB GLU 15 3.166 14.409 -2.289 107 1HG GLU 15 1HG GLU 15 2.359 16.072 -0.601 108 2HG GLU 15 2HG GLU 15 3.403 15.305 0.613 109 HE2 GLU 15 HE2 GLU 15 5.112 18.237 -0.816 110 H GLU 16 H GLU 16 0.931 13.869 -3.009 111 HA GLU 16 HA GLU 16 -0.949 15.822 -2.222 112 1HB GLU 16 1HB GLU 16 0.008 15.316 -4.558 113 2HB GLU 16 2HB GLU 16 -1.105 13.945 -4.633 114 1HG GLU 16 1HG GLU 16 -2.083 15.802 -5.798 115 2HG GLU 16 2HG GLU 16 -3.026 15.511 -4.331 116 HE2 GLU 16 HE2 GLU 16 -0.623 18.812 -4.569 117 H PHE 17 H PHE 17 -1.204 12.268 -2.628 118 HA PHE 17 HA PHE 17 -3.995 12.038 -2.206 119 1HB PHE 17 1HB PHE 17 -2.722 10.196 -3.100 120 2HB PHE 17 2HB PHE 17 -1.653 10.166 -1.715 121 HD1 PHE 17 HD1 PHE 17 -5.065 9.300 -2.875 122 HD2 PHE 17 HD2 PHE 17 -2.258 9.142 0.396 123 HE1 PHE 17 HE1 PHE 17 -6.495 7.628 -1.704 124 HE2 PHE 17 HE2 PHE 17 -3.702 7.509 1.557 125 HZ PHE 17 HZ PHE 17 -5.805 6.719 0.490 126 H LEU 18 H LEU 18 -1.293 11.866 0.191 127 HA LEU 18 HA LEU 18 -2.977 11.296 2.393 128 1HB LEU 18 1HB LEU 18 -0.323 12.782 2.234 129 2HB LEU 18 2HB LEU 18 -1.084 12.317 3.759 130 HG LEU 18 HG LEU 18 -0.303 10.278 1.638 131 1HD1 LEU 18 1HD1 LEU 18 1.621 9.861 3.190 132 2HD1 LEU 18 2HD1 LEU 18 1.693 11.455 2.407 133 3HD1 LEU 18 3HD1 LEU 18 1.165 11.311 4.098 134 1HD2 LEU 18 1HD2 LEU 18 -0.444 8.706 3.536 135 2HD2 LEU 18 2HD2 LEU 18 -1.023 10.007 4.590 136 3HD2 LEU 18 3HD2 LEU 18 -2.015 9.451 3.221 137 H LYS 19 H LYS 19 -2.001 14.495 1.056 138 HA LYS 19 HA LYS 19 -3.381 15.889 3.123 139 1HB LYS 19 1HB LYS 19 -2.564 17.790 2.228 140 2HB LYS 19 2HB LYS 19 -1.474 16.643 1.469 141 1HG LYS 19 1HG LYS 19 -1.994 17.991 -0.303 142 2HG LYS 19 2HG LYS 19 -3.198 16.729 -0.537 143 1HD LYS 19 1HD LYS 19 -4.863 18.210 0.707 144 2HD LYS 19 2HD LYS 19 -3.600 19.446 0.801 145 1HE LYS 19 1HE LYS 19 -3.493 19.527 -1.670 146 2HE LYS 19 2HE LYS 19 -4.704 18.229 -1.774 147 1HZ LYS 19 1HZ LYS 19 -5.122 20.906 -0.650 148 2HZ LYS 19 2HZ LYS 19 -5.710 20.331 -2.076 149 3HZ LYS 19 3HZ LYS 19 -6.242 19.696 -0.653 150 H ALA 20 H ALA 20 -4.355 14.702 -0.092 151 HA ALA 20 HA ALA 20 -6.930 15.957 -0.101 152 1HB ALA 20 1HB ALA 20 -7.413 14.433 -1.918 153 2HB ALA 20 2HB ALA 20 -5.763 15.055 -2.113 154 3HB ALA 20 3HB ALA 20 -6.028 13.408 -1.496 155 H LEU 21 H LEU 21 -5.654 13.052 1.545 156 HA LEU 21 HA LEU 21 -8.036 11.598 1.495 157 1HB LEU 21 1HB LEU 21 -5.770 10.661 1.854 158 2HB LEU 21 2HB LEU 21 -5.689 11.450 3.428 159 HG LEU 21 HG LEU 21 -7.686 10.079 4.159 160 1HD1 LEU 21 1HD1 LEU 21 -7.206 8.726 1.462 161 2HD1 LEU 21 2HD1 LEU 21 -8.210 8.061 2.768 162 3HD1 LEU 21 3HD1 LEU 21 -8.688 9.558 1.965 163 1HD2 LEU 21 1HD2 LEU 21 -5.256 8.545 3.165 164 2HD2 LEU 21 2HD2 LEU 21 -5.361 9.451 4.687 165 3HD2 LEU 21 3HD2 LEU 21 -6.382 8.024 4.441 166 H ALA 22 H ALA 22 -6.563 13.208 4.342 167 HA ALA 22 HA ALA 22 -9.000 14.332 5.304 168 1HB ALA 22 1HB ALA 22 -9.168 12.939 7.395 169 2HB ALA 22 2HB ALA 22 -9.617 12.047 5.932 170 3HB ALA 22 3HB ALA 22 -8.027 11.780 6.680 171 H LEU 23 H LEU 23 -6.011 12.828 6.564 172 HA LEU 23 HA LEU 23 -5.528 14.667 8.543 173 1HB LEU 23 1HB LEU 23 -3.296 13.900 8.687 174 2HB LEU 23 2HB LEU 23 -4.396 12.549 8.499 175 HG LEU 23 HG LEU 23 -2.914 13.623 6.082 176 1HD1 LEU 23 1HD1 LEU 23 -1.045 12.069 6.597 177 2HD1 LEU 23 2HD1 LEU 23 -1.178 13.369 7.784 178 3HD1 LEU 23 3HD1 LEU 23 -1.768 11.745 8.186 179 1HD2 LEU 23 1HD2 LEU 23 -4.608 11.848 5.696 180 2HD2 LEU 23 2HD2 LEU 23 -2.973 11.296 5.352 181 3HD2 LEU 23 3HD2 LEU 23 -3.760 10.806 6.863 182 HA PRO 24 HA PRO 24 -4.618 18.261 6.142 183 1HB PRO 24 1HB PRO 24 -3.964 20.070 8.069 184 2HB PRO 24 2HB PRO 24 -5.587 19.325 7.981 185 1HG PRO 24 1HG PRO 24 -3.253 18.414 9.695 186 2HG PRO 24 2HG PRO 24 -4.915 18.799 10.238 187 1HD PRO 24 1HD PRO 24 -4.172 16.247 9.673 188 2HD PRO 24 2HD PRO 24 -5.793 16.852 9.206 189 H GLU 25 H GLU 25 -2.902 19.928 5.773 190 HA GLU 25 HA GLU 25 -0.542 18.831 4.917 191 1HB GLU 25 1HB GLU 25 -1.305 21.690 5.568 192 2HB GLU 25 2HB GLU 25 0.199 21.239 4.746 193 1HG GLU 25 1HG GLU 25 -1.062 20.122 2.950 194 2HG GLU 25 2HG GLU 25 -2.595 20.532 3.735 195 HE2 GLU 25 HE2 GLU 25 -2.192 23.011 1.174 196 H ASP 26 H ASP 26 -1.219 20.081 8.151 197 HA ASP 26 HA ASP 26 1.486 20.346 9.040 198 1HB ASP 26 1HB ASP 26 -0.354 21.389 10.254 199 2HB ASP 26 2HB ASP 26 -1.131 19.818 10.509 200 HD2 ASP 26 HD2 ASP 26 2.295 20.527 12.592 201 H LEU 27 H LEU 27 -0.802 17.583 9.015 202 HA LEU 27 HA LEU 27 1.133 15.887 10.438 203 1HB LEU 27 1HB LEU 27 -1.580 15.240 9.277 204 2HB LEU 27 2HB LEU 27 -0.589 14.178 10.292 205 HG LEU 27 HG LEU 27 -1.967 16.771 11.088 206 1HD1 LEU 27 1HD1 LEU 27 -3.304 14.640 11.033 207 2HD1 LEU 27 2HD1 LEU 27 -2.159 13.929 12.182 208 3HD1 LEU 27 3HD1 LEU 27 -3.152 15.321 12.663 209 1HD2 LEU 27 1HD2 LEU 27 -1.062 16.375 13.383 210 2HD2 LEU 27 2HD2 LEU 27 0.018 15.130 12.725 211 3HD2 LEU 27 3HD2 LEU 27 0.194 16.831 12.235 212 H ILE 28 H ILE 28 0.008 16.324 7.055 213 HA ILE 28 HA ILE 28 1.378 13.960 6.143 214 HB ILE 28 HB ILE 28 1.105 14.582 3.975 215 1HG1 ILE 28 1HG1 ILE 28 0.101 17.055 3.563 216 2HG1 ILE 28 2HG1 ILE 28 1.231 17.412 4.882 217 1HG2 ILE 28 1HG2 ILE 28 -1.202 15.081 3.779 218 2HG2 ILE 28 2HG2 ILE 28 -0.937 14.079 5.212 219 3HG2 ILE 28 3HG2 ILE 28 -1.274 15.814 5.386 220 1HD1 ILE 28 1HD1 ILE 28 1.871 15.998 2.261 221 2HD1 ILE 28 2HD1 ILE 28 2.257 17.686 2.651 222 3HD1 ILE 28 3HD1 ILE 28 3.063 16.372 3.525 223 H LYS 29 H LYS 29 2.509 17.179 7.008 224 HA LYS 29 HA LYS 29 5.058 17.253 5.919 225 1HB LYS 29 1HB LYS 29 3.796 18.873 7.482 226 2HB LYS 29 2HB LYS 29 4.466 17.907 8.814 227 1HG LYS 29 1HG LYS 29 6.766 18.344 7.872 228 2HG LYS 29 2HG LYS 29 6.029 19.425 6.685 229 1HD LYS 29 1HD LYS 29 6.011 19.689 9.726 230 2HD LYS 29 2HD LYS 29 6.906 20.698 8.584 231 1HE LYS 29 1HE LYS 29 3.876 20.593 8.963 232 2HE LYS 29 2HE LYS 29 4.962 21.909 9.405 233 1HZ LYS 29 1HZ LYS 29 4.447 20.989 6.665 234 2HZ LYS 29 2HZ LYS 29 3.838 22.351 7.361 235 3HZ LYS 29 3HZ LYS 29 5.460 22.219 7.094 236 H MET 30 H MET 30 3.804 15.165 8.546 237 HA MET 30 HA MET 30 6.412 14.345 9.512 238 1HB MET 30 1HB MET 30 3.658 13.096 9.916 239 2HB MET 30 2HB MET 30 5.129 12.685 10.796 240 1HG MET 30 1HG MET 30 5.275 14.915 11.736 241 2HG MET 30 2HG MET 30 3.897 15.473 10.779 242 1HE MET 30 1HE MET 30 2.666 15.524 14.513 243 2HE MET 30 2HE MET 30 4.353 15.734 13.992 244 3HE MET 30 3HE MET 30 3.036 16.506 13.076 245 H ALA 31 H ALA 31 3.798 12.646 7.713 246 HA ALA 31 HA ALA 31 5.171 10.299 7.094 247 1HB ALA 31 1HB ALA 31 3.042 11.732 5.464 248 2HB ALA 31 2HB ALA 31 3.467 10.007 5.349 249 3HB ALA 31 3HB ALA 31 2.736 10.647 6.838 250 H ARG 32 H ARG 32 5.039 13.346 5.288 251 HA ARG 32 HA ARG 32 6.328 12.702 2.927 252 1HB ARG 32 1HB ARG 32 5.214 14.817 3.375 253 2HB ARG 32 2HB ARG 32 6.444 15.248 4.567 254 1HG ARG 32 1HG ARG 32 6.770 16.455 2.524 255 2HG ARG 32 2HG ARG 32 8.151 15.395 2.781 256 1HD ARG 32 1HD ARG 32 5.830 14.505 1.021 257 2HD ARG 32 2HD ARG 32 7.044 15.657 0.420 258 HE ARG 32 HE ARG 32 8.321 13.377 1.580 259 1HH1 ARG 32 1HH1 ARG 32 6.592 14.397 -1.364 260 2HH1 ARG 32 2HH1 ARG 32 7.494 13.312 -2.396 261 1HH2 ARG 32 1HH2 ARG 32 9.549 12.061 0.188 262 2HH2 ARG 32 2HH2 ARG 32 9.183 11.995 -1.519 263 H ASP 33 H ASP 33 7.752 13.324 6.150 264 HA ASP 33 HA ASP 33 10.477 12.766 5.048 265 1HB ASP 33 1HB ASP 33 10.044 15.151 5.667 266 2HB ASP 33 2HB ASP 33 9.687 14.630 7.320 267 HD2 ASP 33 HD2 ASP 33 13.525 14.039 6.065 268 H ILE 34 H ILE 34 8.623 10.755 5.950 269 HA ILE 34 HA ILE 34 10.420 9.534 7.966 270 HB ILE 34 HB ILE 34 7.379 9.532 8.045 271 1HG1 ILE 34 1HG1 ILE 34 9.431 10.040 10.256 272 2HG1 ILE 34 2HG1 ILE 34 8.691 11.325 9.306 273 1HG2 ILE 34 1HG2 ILE 34 9.309 7.648 9.475 274 2HG2 ILE 34 2HG2 ILE 34 7.576 7.776 9.825 275 3HG2 ILE 34 3HG2 ILE 34 8.097 7.190 8.261 276 1HD1 ILE 34 1HD1 ILE 34 6.425 10.547 10.063 277 2HD1 ILE 34 2HD1 ILE 34 7.243 9.455 11.206 278 3HD1 ILE 34 3HD1 ILE 34 7.474 11.202 11.335 279 H LYS 35 H LYS 35 11.037 7.539 7.341 280 HA LYS 35 HA LYS 35 9.848 6.334 4.895 281 1HB LYS 35 1HB LYS 35 11.918 4.972 4.864 282 2HB LYS 35 2HB LYS 35 12.075 6.683 4.457 283 1HG LYS 35 1HG LYS 35 13.094 7.193 6.602 284 2HG LYS 35 2HG LYS 35 12.836 5.539 7.183 285 1HD LYS 35 1HD LYS 35 14.232 4.682 5.298 286 2HD LYS 35 2HD LYS 35 14.575 6.360 4.829 287 1HE LYS 35 1HE LYS 35 15.607 6.770 7.048 288 2HE LYS 35 2HE LYS 35 15.218 5.109 7.543 289 1HZ LYS 35 1HZ LYS 35 16.631 4.314 5.802 290 2HZ LYS 35 2HZ LYS 35 17.001 5.853 5.335 291 3HZ LYS 35 3HZ LYS 35 17.467 5.306 6.818 292 HA PRO 36 HA PRO 36 8.242 4.123 8.577 293 1HB PRO 36 1HB PRO 36 5.970 3.011 7.503 294 2HB PRO 36 2HB PRO 36 6.110 4.738 7.977 295 1HG PRO 36 1HG PRO 36 6.490 3.575 5.227 296 2HG PRO 36 2HG PRO 36 5.437 4.941 5.697 297 1HD PRO 36 1HD PRO 36 7.894 5.423 4.721 298 2HD PRO 36 2HD PRO 36 7.298 6.352 6.108 299 H ILE 37 H ILE 37 8.261 1.919 9.234 300 HA ILE 37 HA ILE 37 9.755 0.158 7.386 301 HB ILE 37 HB ILE 37 10.917 0.672 9.372 302 1HG1 ILE 37 1HG1 ILE 37 11.255 -1.582 10.375 303 2HG1 ILE 37 2HG1 ILE 37 9.855 -2.188 9.483 304 1HG2 ILE 37 1HG2 ILE 37 8.582 -0.366 10.999 305 2HG2 ILE 37 2HG2 ILE 37 10.180 0.040 11.636 306 3HG2 ILE 37 3HG2 ILE 37 9.186 1.311 10.935 307 1HD1 ILE 37 1HD1 ILE 37 11.004 -1.753 7.356 308 2HD1 ILE 37 2HD1 ILE 37 12.313 -0.896 8.211 309 3HD1 ILE 37 3HD1 ILE 37 12.103 -2.638 8.429 310 H VAL 38 H VAL 38 8.794 -1.521 6.524 311 HA VAL 38 HA VAL 38 6.002 -2.179 7.373 312 HB VAL 38 HB VAL 38 7.146 -2.058 4.560 313 1HG1 VAL 38 1HG1 VAL 38 5.190 -3.598 4.861 314 2HG1 VAL 38 2HG1 VAL 38 4.259 -2.230 5.512 315 3HG1 VAL 38 3HG1 VAL 38 4.821 -2.207 3.834 316 1HG2 VAL 38 1HG2 VAL 38 7.066 0.234 5.415 317 2HG2 VAL 38 2HG2 VAL 38 5.732 -0.013 4.288 318 3HG2 VAL 38 3HG2 VAL 38 5.421 -0.026 6.037 319 H GLU 39 H GLU 39 5.483 -4.309 7.486 320 HA GLU 39 HA GLU 39 7.481 -6.358 6.650 321 1HB GLU 39 1HB GLU 39 7.593 -5.984 9.096 322 2HB GLU 39 2HB GLU 39 5.858 -6.336 9.224 323 1HG GLU 39 1HG GLU 39 6.266 -8.619 8.305 324 2HG GLU 39 2HG GLU 39 7.992 -8.242 8.148 325 HE2 GLU 39 HE2 GLU 39 7.828 -10.092 11.194 326 H ILE 40 H ILE 40 6.580 -7.644 5.157 327 HA ILE 40 HA ILE 40 3.614 -7.961 5.090 328 HB ILE 40 HB ILE 40 5.737 -8.096 2.933 329 1HG1 ILE 40 1HG1 ILE 40 3.416 -6.161 3.396 330 2HG1 ILE 40 2HG1 ILE 40 5.098 -5.817 3.799 331 1HG2 ILE 40 1HG2 ILE 40 2.719 -8.550 2.756 332 2HG2 ILE 40 2HG2 ILE 40 3.825 -8.450 1.368 333 3HG2 ILE 40 3HG2 ILE 40 3.974 -9.782 2.502 334 1HD1 ILE 40 1HD1 ILE 40 5.760 -6.128 1.462 335 2HD1 ILE 40 2HD1 ILE 40 4.036 -6.278 1.015 336 3HD1 ILE 40 3HD1 ILE 40 4.641 -4.774 1.736 337 H GLN 41 H GLN 41 2.780 -9.925 5.254 338 HA GLN 41 HA GLN 41 4.575 -12.263 5.768 339 1HB GLN 41 1HB GLN 41 1.962 -11.487 7.115 340 2HB GLN 41 2HB GLN 41 2.964 -12.886 7.489 341 1HG GLN 41 1HG GLN 41 4.159 -11.685 8.947 342 2HG GLN 41 2HG GLN 41 4.621 -10.512 7.723 343 1HE2 GLN 41 1HE2 GLN 41 3.645 -8.424 7.796 344 2HE2 GLN 41 2HE2 GLN 41 2.393 -8.014 8.948 345 H GLN 42 H GLN 42 4.301 -13.011 3.571 346 HA GLN 42 HA GLN 42 1.592 -13.916 2.792 347 1HB GLN 42 1HB GLN 42 3.117 -13.139 1.015 348 2HB GLN 42 2HB GLN 42 4.281 -14.405 1.462 349 1HG GLN 42 1HG GLN 42 2.500 -16.137 1.023 350 2HG GLN 42 2HG GLN 42 1.398 -14.843 0.537 351 1HE2 GLN 42 1HE2 GLN 42 1.397 -16.468 -1.342 352 2HE2 GLN 42 2HE2 GLN 42 2.570 -16.200 -2.620 353 H LYS 43 H LYS 43 0.863 -15.842 3.458 354 HA LYS 43 HA LYS 43 2.768 -18.097 3.700 355 1HB LYS 43 1HB LYS 43 0.714 -17.371 5.816 356 2HB LYS 43 2HB LYS 43 1.302 -19.028 5.565 357 1HG LYS 43 1HG LYS 43 3.625 -18.266 5.906 358 2HG LYS 43 2HG LYS 43 3.049 -16.615 6.210 359 1HD LYS 43 1HD LYS 43 1.860 -17.288 8.183 360 2HD LYS 43 2HD LYS 43 2.104 -19.012 7.834 361 1HE LYS 43 1HE LYS 43 4.497 -18.829 8.184 362 2HE LYS 43 2HE LYS 43 4.395 -17.067 8.364 363 1HZ LYS 43 1HZ LYS 43 3.122 -17.381 10.336 364 2HZ LYS 43 2HZ LYS 43 3.133 -19.021 10.162 365 3HZ LYS 43 3HZ LYS 43 4.537 -18.213 10.462 366 H GLY 44 H GLY 44 2.114 -18.180 1.506 367 1HA GLY 44 1HA GLY 44 1.094 -19.469 -0.081 368 2HA GLY 44 2HA GLY 44 -0.112 -20.005 1.095 369 H ASP 45 H ASP 45 -2.094 -19.446 0.383 370 HA ASP 45 HA ASP 45 -2.636 -17.411 -1.551 371 1HB ASP 45 1HB ASP 45 -5.022 -17.980 -1.051 372 2HB ASP 45 2HB ASP 45 -4.009 -19.363 -1.450 373 HD2 ASP 45 HD2 ASP 45 -5.671 -19.068 2.214 374 H ASP 46 H ASP 46 -2.717 -17.469 1.984 375 HA ASP 46 HA ASP 46 -4.146 -14.920 2.175 376 1HB ASP 46 1HB ASP 46 -3.865 -15.289 4.631 377 2HB ASP 46 2HB ASP 46 -4.795 -16.507 3.752 378 HD2 ASP 46 HD2 ASP 46 -1.173 -17.539 5.215 379 H PHE 47 H PHE 47 -3.346 -13.032 2.862 380 HA PHE 47 HA PHE 47 -0.406 -12.618 3.147 381 1HB PHE 47 1HB PHE 47 -2.419 -11.168 1.400 382 2HB PHE 47 2HB PHE 47 -0.891 -10.441 1.886 383 HD1 PHE 47 HD1 PHE 47 1.103 -10.837 0.661 384 HD2 PHE 47 HD2 PHE 47 -2.359 -13.320 0.026 385 HE1 PHE 47 HE1 PHE 47 2.192 -11.860 -1.315 386 HE2 PHE 47 HE2 PHE 47 -1.184 -14.475 -1.828 387 HZ PHE 47 HZ PHE 47 1.065 -13.692 -2.547 388 H VAL 48 H VAL 48 0.058 -11.265 4.823 389 HA VAL 48 HA VAL 48 -2.057 -9.388 5.736 390 HB VAL 48 HB VAL 48 -0.286 -11.022 7.571 391 1HG1 VAL 48 1HG1 VAL 48 -1.604 -9.982 9.381 392 2HG1 VAL 48 2HG1 VAL 48 -0.808 -8.726 8.421 393 3HG1 VAL 48 3HG1 VAL 48 -2.540 -9.060 8.200 394 1HG2 VAL 48 1HG2 VAL 48 -2.081 -12.452 6.687 395 2HG2 VAL 48 2HG2 VAL 48 -2.466 -12.009 8.353 396 3HG2 VAL 48 3HG2 VAL 48 -3.282 -11.192 7.011 397 H VAL 49 H VAL 49 -1.377 -7.389 5.687 398 HA VAL 49 HA VAL 49 1.523 -6.767 5.250 399 HB VAL 49 HB VAL 49 -1.077 -5.430 4.428 400 1HG1 VAL 49 1HG1 VAL 49 0.443 -3.634 5.046 401 2HG1 VAL 49 2HG1 VAL 49 1.774 -4.398 4.149 402 3HG1 VAL 49 3HG1 VAL 49 0.365 -3.742 3.286 403 1HG2 VAL 49 1HG2 VAL 49 -0.293 -5.833 2.156 404 2HG2 VAL 49 2HG2 VAL 49 1.242 -6.485 2.752 405 3HG2 VAL 49 3HG2 VAL 49 -0.261 -7.375 3.033 406 H THR 50 H THR 50 2.471 -5.737 6.908 407 HA THR 50 HA THR 50 0.844 -4.221 8.913 408 HB THR 50 HB THR 50 3.310 -5.965 9.306 409 HG1 THR 50 HG1 THR 50 0.695 -6.134 10.380 410 1HG2 THR 50 1HG2 THR 50 3.566 -4.061 10.765 411 2HG2 THR 50 2HG2 THR 50 1.860 -4.133 11.254 412 3HG2 THR 50 3HG2 THR 50 2.985 -5.424 11.732 413 H SER 51 H SER 51 1.498 -2.183 9.294 414 HA SER 51 HA SER 51 4.143 -1.264 8.319 415 1HB SER 51 1HB SER 51 2.344 -0.456 6.798 416 2HB SER 51 2HB SER 51 1.523 0.287 8.189 417 HG SER 51 HG SER 51 3.397 1.561 8.499 418 H LYS 52 H LYS 52 5.304 -0.300 9.912 419 HA LYS 52 HA LYS 52 3.945 0.210 12.526 420 1HB LYS 52 1HB LYS 52 5.273 -1.980 12.204 421 2HB LYS 52 2HB LYS 52 6.716 -0.972 12.184 422 1HG LYS 52 1HG LYS 52 4.674 -1.286 14.423 423 2HG LYS 52 2HG LYS 52 6.330 -1.904 14.382 424 1HD LYS 52 1HD LYS 52 7.154 0.491 14.314 425 2HD LYS 52 2HD LYS 52 5.467 1.007 14.556 426 1HE LYS 52 1HE LYS 52 5.358 -0.323 16.650 427 2HE LYS 52 2HE LYS 52 7.080 -0.719 16.464 428 1HZ LYS 52 1HZ LYS 52 6.720 1.149 17.911 429 2HZ LYS 52 2HZ LYS 52 7.555 1.621 16.571 430 3HZ LYS 52 3HZ LYS 52 5.952 1.985 16.715 431 H THR 53 H THR 53 4.066 2.342 12.879 432 HA THR 53 HA THR 53 6.628 3.751 12.374 433 HB THR 53 HB THR 53 5.659 5.528 11.282 434 HG1 THR 53 HG1 THR 53 3.051 4.797 12.013 435 1HG2 THR 53 1HG2 THR 53 3.748 3.361 10.357 436 2HG2 THR 53 2HG2 THR 53 4.261 4.816 9.495 437 3HG2 THR 53 3HG2 THR 53 5.438 3.531 9.854 438 HA PRO 54 HA PRO 54 6.302 4.773 16.514 439 1HB PRO 54 1HB PRO 54 7.197 7.315 16.887 440 2HB PRO 54 2HB PRO 54 8.214 6.024 16.185 441 1HG PRO 54 1HG PRO 54 6.603 8.099 14.680 442 2HG PRO 54 2HG PRO 54 8.341 7.713 14.481 443 1HD PRO 54 1HD PRO 54 6.442 6.651 12.895 444 2HD PRO 54 2HD PRO 54 7.834 5.647 13.408 445 H ARG 55 H ARG 55 3.974 6.309 14.547 446 HA ARG 55 HA ARG 55 2.345 6.883 16.947 447 1HB ARG 55 1HB ARG 55 1.711 9.044 16.269 448 2HB ARG 55 2HB ARG 55 3.472 8.975 16.193 449 1HG ARG 55 1HG ARG 55 3.043 8.396 13.619 450 2HG ARG 55 2HG ARG 55 1.441 9.080 13.958 451 1HD ARG 55 1HD ARG 55 2.795 10.861 13.117 452 2HD ARG 55 2HD ARG 55 2.574 11.133 14.855 453 HE ARG 55 HE ARG 55 4.975 9.661 13.876 454 1HH1 ARG 55 1HH1 ARG 55 3.763 12.746 15.191 455 2HH1 ARG 55 2HH1 ARG 55 5.338 13.242 15.753 456 1HH2 ARG 55 1HH2 ARG 55 7.006 10.365 14.568 457 2HH2 ARG 55 2HH2 ARG 55 7.189 11.903 15.367 458 H GLN 56 H GLN 56 2.543 5.662 13.688 459 HA GLN 56 HA GLN 56 -0.317 4.891 13.862 460 1HB GLN 56 1HB GLN 56 1.198 5.877 11.412 461 2HB GLN 56 2HB GLN 56 -0.350 5.024 11.364 462 1HG GLN 56 1HG GLN 56 -1.345 6.840 12.799 463 2HG GLN 56 2HG GLN 56 0.202 7.687 12.738 464 1HE2 GLN 56 1HE2 GLN 56 -1.528 9.339 11.905 465 2HE2 GLN 56 2HE2 GLN 56 -1.709 9.397 10.163 466 H THR 57 H THR 57 0.053 2.840 14.600 467 HA THR 57 HA THR 57 1.667 1.031 12.844 468 HB THR 57 HB THR 57 0.997 0.832 15.799 469 HG1 THR 57 HG1 THR 57 2.811 2.122 15.135 470 1HG2 THR 57 1HG2 THR 57 2.324 -1.288 15.690 471 2HG2 THR 57 2HG2 THR 57 0.785 -1.407 14.825 472 3HG2 THR 57 3HG2 THR 57 2.295 -1.188 13.914 473 H VAL 58 H VAL 58 0.343 0.015 11.449 474 HA VAL 58 HA VAL 58 -2.363 -0.821 12.291 475 HB VAL 58 HB VAL 58 -1.716 0.710 9.731 476 1HG1 VAL 58 1HG1 VAL 58 -3.568 -0.869 9.367 477 2HG1 VAL 58 2HG1 VAL 58 -4.371 -0.297 10.850 478 3HG1 VAL 58 3HG1 VAL 58 -4.192 0.775 9.447 479 1HG2 VAL 58 1HG2 VAL 58 -1.705 2.297 11.589 480 2HG2 VAL 58 2HG2 VAL 58 -3.214 2.473 10.697 481 3HG2 VAL 58 3HG2 VAL 58 -3.208 1.599 12.238 482 H THR 59 H THR 59 -3.193 -2.592 11.109 483 HA THR 59 HA THR 59 -1.402 -3.956 9.196 484 HB THR 59 HB THR 59 -2.603 -5.181 11.716 485 HG1 THR 59 HG1 THR 59 -0.564 -4.107 11.854 486 1HG2 THR 59 1HG2 THR 59 -1.249 -6.554 9.357 487 2HG2 THR 59 2HG2 THR 59 -1.529 -7.309 10.938 488 3HG2 THR 59 3HG2 THR 59 -2.906 -6.831 9.937 489 H ASN 60 H ASN 60 -2.466 -5.194 7.676 490 HA ASN 60 HA ASN 60 -5.398 -5.446 7.843 491 1HB ASN 60 1HB ASN 60 -4.973 -3.540 6.325 492 2HB ASN 60 2HB ASN 60 -3.871 -4.554 5.364 493 1HD2 ASN 60 1HD2 ASN 60 -7.174 -4.902 6.802 494 2HD2 ASN 60 2HD2 ASN 60 -7.920 -5.501 5.337 495 H SER 61 H SER 61 -6.206 -7.214 6.781 496 HA SER 61 HA SER 61 -4.310 -9.367 6.007 497 1HB SER 61 1HB SER 61 -5.812 -10.932 7.255 498 2HB SER 61 2HB SER 61 -5.018 -9.757 8.320 499 HG SER 61 HG SER 61 -7.624 -9.427 7.238 500 H PHE 62 H PHE 62 -4.930 -10.585 4.254 501 HA PHE 62 HA PHE 62 -7.656 -10.630 3.262 502 1HB PHE 62 1HB PHE 62 -7.133 -9.578 1.089 503 2HB PHE 62 2HB PHE 62 -6.996 -8.441 2.415 504 HD1 PHE 62 HD1 PHE 62 -5.189 -10.190 -0.261 505 HD2 PHE 62 HD2 PHE 62 -4.759 -7.667 3.213 506 HE1 PHE 62 HE1 PHE 62 -2.893 -9.592 -0.970 507 HE2 PHE 62 HE2 PHE 62 -2.496 -7.045 2.489 508 HZ PHE 62 HZ PHE 62 -1.548 -7.988 0.375 509 H THR 63 H THR 63 -7.561 -11.711 0.960 510 HA THR 63 HA THR 63 -5.457 -13.784 0.791 511 HB THR 63 HB THR 63 -8.469 -14.272 0.914 512 HG1 THR 63 HG1 THR 63 -7.882 -15.462 2.764 513 1HG2 THR 63 1HG2 THR 63 -7.494 -15.829 -0.702 514 2HG2 THR 63 2HG2 THR 63 -6.176 -16.213 0.427 515 3HG2 THR 63 3HG2 THR 63 -7.843 -16.694 0.799 516 H LEU 64 H LEU 64 -5.138 -14.546 -1.342 517 HA LEU 64 HA LEU 64 -5.716 -12.548 -3.288 518 1HB LEU 64 1HB LEU 64 -4.478 -13.871 -4.848 519 2HB LEU 64 2HB LEU 64 -3.686 -13.784 -3.280 520 HG LEU 64 HG LEU 64 -4.585 -16.140 -2.806 521 1HD1 LEU 64 1HD1 LEU 64 -4.885 -17.494 -4.968 522 2HD1 LEU 64 2HD1 LEU 64 -6.274 -16.536 -4.506 523 3HD1 LEU 64 3HD1 LEU 64 -5.197 -15.955 -5.794 524 1HD2 LEU 64 1HD2 LEU 64 -2.240 -15.613 -3.419 525 2HD2 LEU 64 2HD2 LEU 64 -2.748 -17.160 -4.099 526 3HD2 LEU 64 3HD2 LEU 64 -2.667 -15.719 -5.137 527 H GLY 65 H GLY 65 -6.976 -12.589 -5.150 528 1HA GLY 65 1HA GLY 65 -8.881 -12.907 -6.365 529 2HA GLY 65 2HA GLY 65 -8.494 -14.630 -6.239 530 H LYS 66 H LYS 66 -9.489 -12.292 -3.687 531 HA LYS 66 HA LYS 66 -12.133 -13.510 -3.396 532 1HB LYS 66 1HB LYS 66 -10.649 -15.124 -2.291 533 2HB LYS 66 2HB LYS 66 -9.943 -13.858 -1.285 534 1HG LYS 66 1HG LYS 66 -12.936 -14.181 -1.211 535 2HG LYS 66 2HG LYS 66 -11.975 -15.488 -0.510 536 1HD LYS 66 1HD LYS 66 -10.877 -14.034 1.043 537 2HD LYS 66 2HD LYS 66 -11.539 -12.585 0.274 538 1HE LYS 66 1HE LYS 66 -13.855 -13.393 0.873 539 2HE LYS 66 2HE LYS 66 -13.113 -14.743 1.754 540 1HZ LYS 66 1HZ LYS 66 -12.735 -11.881 2.281 541 2HZ LYS 66 2HZ LYS 66 -13.642 -12.916 3.187 542 3HZ LYS 66 3HZ LYS 66 -12.004 -13.101 3.129 543 H GLU 67 H GLU 67 -13.535 -12.143 -2.358 544 HA GLU 67 HA GLU 67 -12.826 -9.406 -2.284 545 1HB GLU 67 1HB GLU 67 -15.101 -9.003 -1.540 546 2HB GLU 67 2HB GLU 67 -15.009 -10.104 -2.917 547 1HG GLU 67 1HG GLU 67 -15.315 -12.042 -1.298 548 2HG GLU 67 2HG GLU 67 -15.627 -10.847 -0.028 549 HE2 GLU 67 HE2 GLU 67 -18.718 -9.823 -1.435 550 H ALA 68 H ALA 68 -11.749 -8.327 -0.800 551 HA ALA 68 HA ALA 68 -11.779 -9.185 2.068 552 1HB ALA 68 1HB ALA 68 -9.637 -9.733 0.978 553 2HB ALA 68 2HB ALA 68 -9.489 -8.061 0.395 554 3HB ALA 68 3HB ALA 68 -9.438 -8.401 2.138 555 H ASP 69 H ASP 69 -11.376 -7.419 3.560 556 HA ASP 69 HA ASP 69 -12.220 -4.743 2.553 557 1HB ASP 69 1HB ASP 69 -13.669 -5.707 4.327 558 2HB ASP 69 2HB ASP 69 -12.261 -5.784 5.402 559 HD2 ASP 69 HD2 ASP 69 -14.006 -2.227 4.515 560 H ILE 70 H ILE 70 -10.862 -3.061 2.845 561 HA ILE 70 HA ILE 70 -8.284 -3.406 4.233 562 HB ILE 70 HB ILE 70 -8.074 -4.038 1.836 563 1HG1 ILE 70 1HG1 ILE 70 -6.481 -1.499 2.210 564 2HG1 ILE 70 2HG1 ILE 70 -6.241 -2.877 3.291 565 1HG2 ILE 70 1HG2 ILE 70 -9.761 -2.480 0.880 566 2HG2 ILE 70 2HG2 ILE 70 -8.697 -1.108 1.255 567 3HG2 ILE 70 3HG2 ILE 70 -8.201 -2.324 0.071 568 1HD1 ILE 70 1HD1 ILE 70 -5.809 -4.364 1.360 569 2HD1 ILE 70 2HD1 ILE 70 -5.983 -2.980 0.259 570 3HD1 ILE 70 3HD1 ILE 70 -4.662 -3.014 1.446 571 H THR 71 H THR 71 -7.185 -1.169 4.353 572 HA THR 71 HA THR 71 -9.199 0.993 4.653 573 HB THR 71 HB THR 71 -7.333 -0.055 6.818 574 HG1 THR 71 HG1 THR 71 -10.135 -0.070 6.486 575 1HG2 THR 71 1HG2 THR 71 -7.549 2.440 7.011 576 2HG2 THR 71 2HG2 THR 71 -9.306 2.305 6.872 577 3HG2 THR 71 3HG2 THR 71 -8.471 1.651 8.284 578 H THR 72 H THR 72 -8.473 3.015 4.466 579 HA THR 72 HA THR 72 -6.095 3.491 2.918 580 HB THR 72 HB THR 72 -6.817 5.901 3.249 581 HG1 THR 72 HG1 THR 72 -8.998 4.701 4.613 582 1HG2 THR 72 1HG2 THR 72 -8.893 5.692 1.969 583 2HG2 THR 72 2HG2 THR 72 -7.683 4.546 1.367 584 3HG2 THR 72 3HG2 THR 72 -9.017 3.977 2.392 585 H MET 73 H MET 73 -4.786 5.635 3.793 586 HA MET 73 HA MET 73 -3.126 4.618 5.924 587 1HB MET 73 1HB MET 73 -3.154 7.216 4.349 588 2HB MET 73 2HB MET 73 -2.014 6.879 5.659 589 1HG MET 73 1HG MET 73 -0.916 6.374 3.630 590 2HG MET 73 2HG MET 73 -1.213 4.860 4.481 591 1HE MET 73 1HE MET 73 -1.190 4.028 0.608 592 2HE MET 73 2HE MET 73 -0.247 5.290 1.435 593 3HE MET 73 3HE MET 73 -0.427 3.678 2.174 594 H ASP 74 H ASP 74 -4.591 4.370 7.639 595 HA ASP 74 HA ASP 74 -5.723 4.843 9.503 596 1HB ASP 74 1HB ASP 74 -3.880 7.273 9.537 597 2HB ASP 74 2HB ASP 74 -4.867 6.674 10.875 598 HD2 ASP 74 HD2 ASP 74 -2.326 4.670 11.950 599 H GLY 75 H GLY 75 -7.487 5.145 7.765 600 1HA GLY 75 1HA GLY 75 -8.902 7.691 8.336 601 2HA GLY 75 2HA GLY 75 -8.590 7.226 6.653 602 H LYS 76 H LYS 76 -9.948 5.762 5.717 603 HA LYS 76 HA LYS 76 -12.130 4.551 7.368 604 1HB LYS 76 1HB LYS 76 -12.364 6.102 4.755 605 2HB LYS 76 2HB LYS 76 -13.663 5.147 5.492 606 1HG LYS 76 1HG LYS 76 -13.511 6.541 7.554 607 2HG LYS 76 2HG LYS 76 -12.282 7.547 6.756 608 1HD LYS 76 1HD LYS 76 -13.922 8.133 4.977 609 2HD LYS 76 2HD LYS 76 -15.128 7.092 5.751 610 1HE LYS 76 1HE LYS 76 -15.577 9.400 6.346 611 2HE LYS 76 2HE LYS 76 -15.063 8.511 7.789 612 1HZ LYS 76 1HZ LYS 76 -12.873 9.458 7.490 613 2HZ LYS 76 2HZ LYS 76 -13.382 10.291 6.160 614 3HZ LYS 76 3HZ LYS 76 -14.012 10.636 7.643 615 H LYS 77 H LYS 77 -13.189 2.780 6.422 616 HA LYS 77 HA LYS 77 -11.316 1.013 5.049 617 1HB LYS 77 1HB LYS 77 -12.813 -0.758 5.682 618 2HB LYS 77 2HB LYS 77 -12.341 0.200 7.077 619 1HG LYS 77 1HG LYS 77 -14.879 1.124 5.825 620 2HG LYS 77 2HG LYS 77 -14.917 -0.558 6.369 621 1HD LYS 77 1HD LYS 77 -14.275 0.083 8.632 622 2HD LYS 77 2HD LYS 77 -14.019 1.760 8.129 623 1HE LYS 77 1HE LYS 77 -16.157 1.559 9.282 624 2HE LYS 77 2HE LYS 77 -16.418 1.999 7.588 625 1HZ LYS 77 1HZ LYS 77 -17.922 0.307 8.319 626 2HZ LYS 77 2HZ LYS 77 -16.939 -0.292 7.144 627 3HZ LYS 77 3HZ LYS 77 -16.684 -0.702 8.721 628 H LEU 78 H LEU 78 -12.009 -0.424 3.336 629 HA LEU 78 HA LEU 78 -14.373 0.183 1.781 630 1HB LEU 78 1HB LEU 78 -13.222 0.686 -0.286 631 2HB LEU 78 2HB LEU 78 -12.908 1.947 0.896 632 HG LEU 78 HG LEU 78 -10.902 -0.307 0.489 633 1HD1 LEU 78 1HD1 LEU 78 -11.109 2.225 -1.176 634 2HD1 LEU 78 2HD1 LEU 78 -9.775 1.049 -1.201 635 3HD1 LEU 78 3HD1 LEU 78 -11.388 0.563 -1.745 636 1HD2 LEU 78 1HD2 LEU 78 -10.443 1.220 2.394 637 2HD2 LEU 78 2HD2 LEU 78 -9.284 1.501 1.097 638 3HD2 LEU 78 3HD2 LEU 78 -10.643 2.619 1.316 639 H LYS 79 H LYS 79 -14.581 -1.364 -0.040 640 HA LYS 79 HA LYS 79 -13.390 -3.990 0.643 641 1HB LYS 79 1HB LYS 79 -15.585 -3.181 -1.295 642 2HB LYS 79 2HB LYS 79 -15.036 -4.840 -1.028 643 1HG LYS 79 1HG LYS 79 -16.271 -3.055 1.119 644 2HG LYS 79 2HG LYS 79 -17.122 -4.274 0.161 645 1HD LYS 79 1HD LYS 79 -15.586 -6.041 1.084 646 2HD LYS 79 2HD LYS 79 -14.819 -4.808 2.097 647 1HE LYS 79 1HE LYS 79 -16.411 -5.976 3.452 648 2HE LYS 79 2HE LYS 79 -17.008 -4.330 3.180 649 1HZ LYS 79 1HZ LYS 79 -18.457 -5.223 1.483 650 2HZ LYS 79 2HZ LYS 79 -17.888 -6.747 1.751 651 3HZ LYS 79 3HZ LYS 79 -18.726 -5.960 2.929 652 H CYS 80 H CYS 80 -12.390 -5.299 -0.932 653 HA CYS 80 HA CYS 80 -11.539 -4.152 -3.472 654 1HB CYS 80 1HB CYS 80 -9.135 -4.336 -2.971 655 2HB CYS 80 2HB CYS 80 -9.883 -3.206 -1.830 656 HG CYS 80 HG CYS 80 -8.065 -4.654 -0.635 657 H THR 81 H THR 81 -10.223 -5.743 -4.696 658 HA THR 81 HA THR 81 -10.411 -8.556 -3.748 659 HB THR 81 HB THR 81 -11.270 -7.672 -6.535 660 HG1 THR 81 HG1 THR 81 -12.732 -8.450 -4.242 661 1HG2 THR 81 1HG2 THR 81 -11.362 -10.375 -5.102 662 2HG2 THR 81 2HG2 THR 81 -12.039 -10.029 -6.704 663 3HG2 THR 81 3HG2 THR 81 -10.290 -9.966 -6.454 664 H VAL 82 H VAL 82 -8.217 -7.971 -3.195 665 HA VAL 82 HA VAL 82 -6.264 -7.431 -5.256 666 HB VAL 82 HB VAL 82 -5.932 -8.566 -2.445 667 1HG1 VAL 82 1HG1 VAL 82 -3.913 -7.346 -4.384 668 2HG1 VAL 82 2HG1 VAL 82 -3.596 -7.725 -2.680 669 3HG1 VAL 82 3HG1 VAL 82 -3.939 -9.031 -3.818 670 1HG2 VAL 82 1HG2 VAL 82 -6.962 -6.328 -2.391 671 2HG2 VAL 82 2HG2 VAL 82 -5.278 -6.234 -1.863 672 3HG2 VAL 82 3HG2 VAL 82 -5.722 -5.709 -3.501 673 H HIS 83 H HIS 83 -5.095 -8.891 -6.476 674 HA HIS 83 HA HIS 83 -5.156 -11.754 -5.889 675 1HB HIS 83 1HB HIS 83 -5.906 -12.269 -8.195 676 2HB HIS 83 2HB HIS 83 -7.161 -11.546 -7.193 677 HD1 HIS 83 HD1 HIS 83 -7.642 -8.877 -7.651 678 HD2 HIS 83 HD2 HIS 83 -5.419 -11.002 -10.553 679 HE1 HIS 83 HE1 HIS 83 -7.706 -7.511 -9.804 680 HE2 HIS 83 HE2 HIS 83 -6.376 -8.795 -11.584 681 H LEU 84 H LEU 84 -3.578 -12.912 -7.089 682 HA LEU 84 HA LEU 84 -1.224 -11.287 -7.634 683 1HB LEU 84 1HB LEU 84 -1.847 -14.142 -6.934 684 2HB LEU 84 2HB LEU 84 -0.477 -13.877 -7.993 685 HG LEU 84 HG LEU 84 0.484 -12.243 -6.388 686 1HD1 LEU 84 1HD1 LEU 84 -1.631 -11.624 -5.182 687 2HD1 LEU 84 2HD1 LEU 84 -1.701 -13.264 -4.512 688 3HD1 LEU 84 3HD1 LEU 84 -0.370 -12.175 -4.078 689 1HD2 LEU 84 1HD2 LEU 84 1.309 -13.916 -4.826 690 2HD2 LEU 84 2HD2 LEU 84 -0.035 -15.008 -5.235 691 3HD2 LEU 84 3HD2 LEU 84 1.197 -14.603 -6.453 692 H ALA 85 H ALA 85 0.108 -11.744 -9.422 693 HA ALA 85 HA ALA 85 -0.939 -13.185 -11.744 694 1HB ALA 85 1HB ALA 85 -0.345 -10.202 -11.931 695 2HB ALA 85 2HB ALA 85 -0.672 -11.283 -13.304 696 3HB ALA 85 3HB ALA 85 -1.933 -10.965 -12.102 697 H ASN 86 H ASN 86 1.020 -13.953 -10.116 698 HA ASN 86 HA ASN 86 3.041 -14.849 -10.088 699 1HB ASN 86 1HB ASN 86 2.579 -15.412 -12.433 700 2HB ASN 86 2HB ASN 86 3.357 -13.914 -12.965 701 1HD2 ASN 86 1HD2 ASN 86 4.627 -15.601 -14.219 702 2HD2 ASN 86 2HD2 ASN 86 6.049 -16.260 -13.439 703 H GLY 87 H GLY 87 3.983 -13.658 -8.496 704 1HA GLY 87 1HA GLY 87 5.621 -12.408 -7.538 705 2HA GLY 87 2HA GLY 87 6.323 -12.165 -9.143 706 H LYS 88 H LYS 88 3.003 -11.177 -8.484 707 HA LYS 88 HA LYS 88 3.569 -8.456 -7.756 708 1HB LYS 88 1HB LYS 88 2.777 -7.393 -9.816 709 2HB LYS 88 2HB LYS 88 4.180 -8.405 -10.170 710 1HG LYS 88 1HG LYS 88 2.542 -10.226 -10.883 711 2HG LYS 88 2HG LYS 88 1.250 -9.033 -10.669 712 1HD LYS 88 1HD LYS 88 1.719 -9.046 -12.967 713 2HD LYS 88 2HD LYS 88 2.435 -7.549 -12.342 714 1HE LYS 88 1HE LYS 88 4.680 -8.629 -12.365 715 2HE LYS 88 2HE LYS 88 3.944 -10.156 -12.884 716 1HZ LYS 88 1HZ LYS 88 3.250 -9.089 -14.885 717 2HZ LYS 88 2HZ LYS 88 3.900 -7.650 -14.406 718 3HZ LYS 88 3HZ LYS 88 4.880 -8.943 -14.697 719 H LEU 89 H LEU 89 1.664 -7.382 -7.160 720 HA LEU 89 HA LEU 89 -0.849 -9.001 -7.039 721 1HB LEU 89 1HB LEU 89 0.326 -6.853 -5.271 722 2HB LEU 89 2HB LEU 89 -1.415 -7.116 -5.328 723 HG LEU 89 HG LEU 89 -1.205 -9.375 -4.526 724 1HD1 LEU 89 1HD1 LEU 89 0.873 -10.154 -5.493 725 2HD1 LEU 89 2HD1 LEU 89 1.782 -8.860 -4.690 726 3HD1 LEU 89 3HD1 LEU 89 1.087 -10.191 -3.737 727 1HD2 LEU 89 1HD2 LEU 89 -1.221 -7.474 -2.895 728 2HD2 LEU 89 2HD2 LEU 89 -0.363 -8.899 -2.276 729 3HD2 LEU 89 3HD2 LEU 89 0.551 -7.500 -2.877 730 H VAL 90 H VAL 90 -2.744 -7.999 -7.626 731 HA VAL 90 HA VAL 90 -2.595 -5.494 -9.253 732 HB VAL 90 HB VAL 90 -4.227 -8.014 -9.705 733 1HG1 VAL 90 1HG1 VAL 90 -5.513 -6.015 -10.371 734 2HG1 VAL 90 2HG1 VAL 90 -4.114 -5.382 -11.256 735 3HG1 VAL 90 3HG1 VAL 90 -4.926 -6.855 -11.813 736 1HG2 VAL 90 1HG2 VAL 90 -2.917 -8.177 -11.810 737 2HG2 VAL 90 2HG2 VAL 90 -1.917 -6.806 -11.282 738 3HG2 VAL 90 3HG2 VAL 90 -1.892 -8.338 -10.381 739 H THR 91 H THR 91 -3.226 -4.116 -7.625 740 HA THR 91 HA THR 91 -5.359 -4.716 -5.766 741 HB THR 91 HB THR 91 -5.092 -2.243 -5.236 742 HG1 THR 91 HG1 THR 91 -3.182 -1.314 -6.171 743 1HG2 THR 91 1HG2 THR 91 -2.542 -3.920 -5.212 744 2HG2 THR 91 2HG2 THR 91 -2.903 -2.521 -4.176 745 3HG2 THR 91 3HG2 THR 91 -3.847 -4.010 -4.010 746 H LYS 92 H LYS 92 -7.422 -3.799 -5.731 747 HA LYS 92 HA LYS 92 -8.484 -2.331 -7.923 748 1HB LYS 92 1HB LYS 92 -8.115 -4.706 -8.924 749 2HB LYS 92 2HB LYS 92 -9.524 -5.164 -7.950 750 1HG LYS 92 1HG LYS 92 -10.788 -3.256 -9.032 751 2HG LYS 92 2HG LYS 92 -9.344 -2.920 -10.014 752 1HD LYS 92 1HD LYS 92 -9.509 -5.328 -10.858 753 2HD LYS 92 2HD LYS 92 -11.101 -5.404 -10.083 754 1HE LYS 92 1HE LYS 92 -10.196 -3.471 -12.277 755 2HE LYS 92 2HE LYS 92 -11.320 -4.826 -12.464 756 1HZ LYS 92 1HZ LYS 92 -12.486 -2.780 -12.285 757 2HZ LYS 92 2HZ LYS 92 -12.809 -3.690 -10.949 758 3HZ LYS 92 3HZ LYS 92 -11.772 -2.410 -10.847 759 H SER 93 H SER 93 -10.134 -1.263 -7.249 760 HA SER 93 HA SER 93 -12.322 -2.469 -5.717 761 1HB SER 93 1HB SER 93 -11.092 0.224 -4.989 762 2HB SER 93 2HB SER 93 -12.482 -0.543 -4.194 763 HG SER 93 HG SER 93 -11.177 -2.026 -3.304 764 H GLU 94 H GLU 94 -13.587 0.277 -5.676 765 HA GLU 94 HA GLU 94 -14.252 0.634 -8.512 766 1HB GLU 94 1HB GLU 94 -15.040 2.114 -5.971 767 2HB GLU 94 2HB GLU 94 -15.564 2.577 -7.601 768 1HG GLU 94 1HG GLU 94 -16.595 0.347 -7.915 769 2HG GLU 94 2HG GLU 94 -16.100 -0.118 -6.280 770 HE2 GLU 94 HE2 GLU 94 -19.348 2.169 -6.859 771 H LYS 95 H LYS 95 -13.127 3.022 -6.072 772 HA LYS 95 HA LYS 95 -11.667 4.553 -8.084 773 1HB LYS 95 1HB LYS 95 -12.106 4.808 -5.082 774 2HB LYS 95 2HB LYS 95 -11.008 5.864 -5.972 775 1HG LYS 95 1HG LYS 95 -12.854 6.525 -7.497 776 2HG LYS 95 2HG LYS 95 -13.975 5.534 -6.533 777 1HD LYS 95 1HD LYS 95 -13.436 6.917 -4.524 778 2HD LYS 95 2HD LYS 95 -12.269 7.848 -5.476 779 1HE LYS 95 1HE LYS 95 -14.329 9.116 -5.257 780 2HE LYS 95 2HE LYS 95 -14.080 8.665 -6.951 781 1HZ LYS 95 1HZ LYS 95 -16.335 8.338 -6.230 782 2HZ LYS 95 2HZ LYS 95 -15.656 6.899 -6.647 783 3HZ LYS 95 3HZ LYS 95 -15.858 7.284 -5.056 784 H PHE 96 H PHE 96 -10.878 2.273 -5.470 785 HA PHE 96 HA PHE 96 -8.083 3.094 -5.514 786 1HB PHE 96 1HB PHE 96 -9.526 2.881 -3.463 787 2HB PHE 96 2HB PHE 96 -9.422 1.139 -3.640 788 HD1 PHE 96 HD1 PHE 96 -7.511 -0.007 -2.706 789 HD2 PHE 96 HD2 PHE 96 -7.400 4.265 -3.275 790 HE1 PHE 96 HE1 PHE 96 -5.529 0.148 -1.220 791 HE2 PHE 96 HE2 PHE 96 -5.377 4.405 -1.849 792 HZ PHE 96 HZ PHE 96 -4.492 2.366 -0.759 793 H SER 97 H SER 97 -7.498 2.203 -7.578 794 HA SER 97 HA SER 97 -6.963 -0.721 -7.561 795 1HB SER 97 1HB SER 97 -7.790 -0.810 -9.908 796 2HB SER 97 2HB SER 97 -9.093 -0.310 -8.808 797 HG SER 97 HG SER 97 -7.477 1.511 -10.250 798 H HIS 98 H HIS 98 -5.118 -1.356 -8.615 799 HA HIS 98 HA HIS 98 -3.857 -0.136 -10.720 800 1HB HIS 98 1HB HIS 98 -3.330 1.533 -8.642 801 2HB HIS 98 2HB HIS 98 -2.031 0.434 -8.425 802 HD1 HIS 98 HD1 HIS 98 -1.445 0.037 -11.606 803 HD2 HIS 98 HD2 HIS 98 -2.218 3.699 -9.647 804 HE1 HIS 98 HE1 HIS 98 -0.481 1.900 -13.063 805 HE2 HIS 98 HE2 HIS 98 -0.946 4.129 -11.884 806 H GLU 99 H GLU 99 -1.067 -0.798 -9.615 807 HA GLU 99 HA GLU 99 -1.251 -3.673 -9.095 808 1HB GLU 99 1HB GLU 99 0.410 -2.478 -11.364 809 2HB GLU 99 2HB GLU 99 0.376 -4.177 -10.855 810 1HG GLU 99 1HG GLU 99 -2.069 -4.244 -11.425 811 2HG GLU 99 2HG GLU 99 -1.911 -2.632 -12.145 812 HE2 GLU 99 HE2 GLU 99 -1.452 -5.377 -14.647 813 H GLN 100 H GLN 100 0.941 -4.536 -8.646 814 HA GLN 100 HA GLN 100 3.060 -2.708 -7.935 815 1HB GLN 100 1HB GLN 100 3.153 -3.365 -5.536 816 2HB GLN 100 2HB GLN 100 1.833 -2.299 -6.008 817 1HG GLN 100 1HG GLN 100 0.448 -4.584 -6.161 818 2HG GLN 100 2HG GLN 100 1.783 -5.192 -5.161 819 1HE2 GLN 100 1HE2 GLN 100 -0.110 -2.113 -5.353 820 2HE2 GLN 100 2HE2 GLN 100 -0.581 -2.096 -3.667 821 H GLU 101 H GLU 101 4.964 -3.734 -8.222 822 HA GLU 101 HA GLU 101 4.965 -6.683 -8.644 823 1HB GLU 101 1HB GLU 101 4.887 -5.409 -10.731 824 2HB GLU 101 2HB GLU 101 6.279 -4.441 -10.226 825 1HG GLU 101 1HG GLU 101 7.724 -6.438 -10.271 826 2HG GLU 101 2HG GLU 101 6.339 -7.451 -10.712 827 HE2 GLU 101 HE2 GLU 101 6.181 -5.966 -13.994 828 H VAL 102 H VAL 102 6.893 -7.790 -8.187 829 HA VAL 102 HA VAL 102 8.879 -6.325 -6.514 830 HB VAL 102 HB VAL 102 7.842 -9.133 -5.951 831 1HG1 VAL 102 1HG1 VAL 102 8.907 -8.607 -3.703 832 2HG1 VAL 102 2HG1 VAL 102 10.062 -8.701 -5.029 833 3HG1 VAL 102 3HG1 VAL 102 9.540 -7.124 -4.407 834 1HG2 VAL 102 1HG2 VAL 102 6.945 -6.479 -4.775 835 2HG2 VAL 102 2HG2 VAL 102 5.939 -7.691 -5.591 836 3HG2 VAL 102 3HG2 VAL 102 6.652 -8.057 -4.017 837 H LYS 103 H LYS 103 10.971 -7.010 -6.627 838 HA LYS 103 HA LYS 103 11.717 -9.382 -8.119 839 1HB LYS 103 1HB LYS 103 12.478 -6.535 -8.801 840 2HB LYS 103 2HB LYS 103 13.745 -7.748 -8.938 841 1HG LYS 103 1HG LYS 103 11.043 -8.035 -10.319 842 2HG LYS 103 2HG LYS 103 12.448 -7.242 -11.047 843 1HD LYS 103 1HD LYS 103 13.803 -9.284 -10.714 844 2HD LYS 103 2HD LYS 103 12.390 -10.126 -10.052 845 1HE LYS 103 1HE LYS 103 11.190 -9.834 -12.191 846 2HE LYS 103 2HE LYS 103 12.586 -8.973 -12.871 847 1HZ LYS 103 1HZ LYS 103 12.613 -11.748 -11.909 848 2HZ LYS 103 2HZ LYS 103 12.541 -11.285 -13.487 849 3HZ LYS 103 3HZ LYS 103 13.880 -10.946 -12.591 850 H GLY 104 H GLY 104 14.115 -9.721 -7.733 851 1HA GLY 104 1HA GLY 104 15.007 -10.841 -5.768 852 2HA GLY 104 2HA GLY 104 16.014 -9.481 -6.261 853 H ASN 105 H ASN 105 15.618 -7.404 -5.124 854 HA ASN 105 HA ASN 105 14.601 -7.662 -2.347 855 1HB ASN 105 1HB ASN 105 16.595 -6.678 -1.414 856 2HB ASN 105 2HB ASN 105 17.056 -8.124 -2.310 857 1HD2 ASN 105 1HD2 ASN 105 17.798 -7.684 -4.679 858 2HD2 ASN 105 2HD2 ASN 105 18.773 -6.250 -4.924 859 H GLU 106 H GLU 106 13.377 -6.447 -4.676 860 HA GLU 106 HA GLU 106 13.310 -3.622 -3.815 861 1HB GLU 106 1HB GLU 106 13.652 -2.835 -6.089 862 2HB GLU 106 2HB GLU 106 15.070 -3.720 -5.503 863 1HG GLU 106 1HG GLU 106 14.261 -5.752 -6.762 864 2HG GLU 106 2HG GLU 106 12.932 -4.769 -7.406 865 HE2 GLU 106 HE2 GLU 106 15.045 -2.854 -9.504 866 H MET 107 H MET 107 11.480 -2.523 -4.341 867 HA MET 107 HA MET 107 9.167 -4.067 -5.396 868 1HB MET 107 1HB MET 107 9.699 -3.246 -2.664 869 2HB MET 107 2HB MET 107 8.359 -2.273 -3.280 870 1HG MET 107 1HG MET 107 7.171 -4.296 -3.968 871 2HG MET 107 2HG MET 107 8.529 -5.292 -3.407 872 1HE MET 107 1HE MET 107 7.056 -6.846 -2.002 873 2HE MET 107 2HE MET 107 5.797 -6.287 -0.885 874 3HE MET 107 3HE MET 107 5.634 -5.965 -2.623 875 H VAL 108 H VAL 108 8.053 -2.962 -6.867 876 HA VAL 108 HA VAL 108 8.054 0.010 -6.773 877 HB VAL 108 HB VAL 108 9.259 -0.696 -8.751 878 1HG1 VAL 108 1HG1 VAL 108 8.310 -1.957 -10.568 879 2HG1 VAL 108 2HG1 VAL 108 8.238 -2.962 -9.114 880 3HG1 VAL 108 3HG1 VAL 108 6.773 -2.155 -9.727 881 1HG2 VAL 108 1HG2 VAL 108 6.468 0.308 -9.468 882 2HG2 VAL 108 2HG2 VAL 108 7.786 1.311 -8.833 883 3HG2 VAL 108 3HG2 VAL 108 7.953 0.530 -10.413 884 H GLU 109 H GLU 109 6.134 0.652 -6.005 885 HA GLU 109 HA GLU 109 3.778 -1.147 -6.343 886 1HB GLU 109 1HB GLU 109 4.545 0.399 -3.847 887 2HB GLU 109 2HB GLU 109 3.216 -0.756 -4.038 888 1HG GLU 109 1HG GLU 109 4.912 -2.577 -4.396 889 2HG GLU 109 2HG GLU 109 6.207 -1.404 -4.132 890 HE2 GLU 109 HE2 GLU 109 5.794 -1.269 -0.681 891 H THR 110 H THR 110 1.866 -0.144 -6.926 892 HA THR 110 HA THR 110 1.593 2.714 -6.297 893 HB THR 110 HB THR 110 2.529 2.779 -8.477 894 HG1 THR 110 HG1 THR 110 0.869 3.825 -9.542 895 1HG2 THR 110 1HG2 THR 110 1.461 1.730 -10.456 896 2HG2 THR 110 2HG2 THR 110 2.166 0.550 -9.346 897 3HG2 THR 110 3HG2 THR 110 0.408 0.809 -9.366 898 H ILE 111 H ILE 111 -0.530 3.488 -6.413 899 HA ILE 111 HA ILE 111 -2.798 1.665 -6.624 900 HB ILE 111 HB ILE 111 -3.473 2.826 -4.236 901 1HG1 ILE 111 1HG1 ILE 111 -0.692 1.670 -3.829 902 2HG1 ILE 111 2HG1 ILE 111 -1.041 3.405 -3.917 903 1HG2 ILE 111 1HG2 ILE 111 -4.027 0.565 -5.049 904 2HG2 ILE 111 2HG2 ILE 111 -2.378 0.025 -4.659 905 3HG2 ILE 111 3HG2 ILE 111 -3.483 0.544 -3.374 906 1HD1 ILE 111 1HD1 ILE 111 -2.540 3.237 -1.975 907 2HD1 ILE 111 2HD1 ILE 111 -2.155 1.502 -1.826 908 3HD1 ILE 111 3HD1 ILE 111 -0.888 2.716 -1.600 909 H THR 112 H THR 112 -4.429 2.860 -7.579 910 HA THR 112 HA THR 112 -4.100 5.805 -7.561 911 HB THR 112 HB THR 112 -4.692 4.194 -9.652 912 HG1 THR 112 HG1 THR 112 -5.322 6.902 -9.172 913 1HG2 THR 112 1HG2 THR 112 -7.033 3.757 -8.757 914 2HG2 THR 112 2HG2 THR 112 -7.363 5.487 -8.983 915 3HG2 THR 112 3HG2 THR 112 -6.942 4.480 -10.368 916 H PHE 113 H PHE 113 -6.232 7.025 -7.358 917 HA PHE 113 HA PHE 113 -8.273 5.826 -5.650 918 1HB PHE 113 1HB PHE 113 -6.672 6.537 -3.964 919 2HB PHE 113 2HB PHE 113 -6.496 8.112 -4.725 920 HD1 PHE 113 HD1 PHE 113 -7.635 9.892 -3.681 921 HD2 PHE 113 HD2 PHE 113 -9.263 5.905 -3.373 922 HE1 PHE 113 HE1 PHE 113 -9.433 10.735 -2.207 923 HE2 PHE 113 HE2 PHE 113 -11.061 6.763 -1.899 924 HZ PHE 113 HZ PHE 113 -11.146 9.176 -1.308 925 H GLY 114 H GLY 114 -9.314 6.127 -7.700 926 1HA GLY 114 1HA GLY 114 -10.662 7.229 -9.177 927 2HA GLY 114 2HA GLY 114 -10.762 8.568 -8.021 928 H GLY 115 H GLY 115 -9.818 10.454 -8.645 929 1HA GLY 115 1HA GLY 115 -8.133 10.551 -11.076 930 2HA GLY 115 2HA GLY 115 -8.950 11.887 -10.263 931 H VAL 116 H VAL 116 -7.263 9.890 -8.012 932 HA VAL 116 HA VAL 116 -4.826 11.623 -8.080 933 HB VAL 116 HB VAL 116 -6.394 10.609 -5.670 934 1HG1 VAL 116 1HG1 VAL 116 -4.034 10.594 -5.081 935 2HG1 VAL 116 2HG1 VAL 116 -3.791 12.193 -5.830 936 3HG1 VAL 116 3HG1 VAL 116 -4.774 12.022 -4.367 937 1HG2 VAL 116 1HG2 VAL 116 -7.465 12.572 -6.730 938 2HG2 VAL 116 2HG2 VAL 116 -6.714 13.033 -5.199 939 3HG2 VAL 116 3HG2 VAL 116 -5.906 13.428 -6.730 940 H THR 117 H THR 117 -2.940 10.526 -7.115 941 HA THR 117 HA THR 117 -2.976 7.575 -7.431 942 HB THR 117 HB THR 117 -1.069 9.518 -8.790 943 HG1 THR 117 HG1 THR 117 -3.091 9.346 -9.794 944 1HG2 THR 117 1HG2 THR 117 -1.159 6.467 -8.811 945 2HG2 THR 117 2HG2 THR 117 -0.225 7.465 -9.947 946 3HG2 THR 117 3HG2 THR 117 0.161 7.508 -8.226 947 H LEU 118 H LEU 118 -1.321 6.463 -6.348 948 HA LEU 118 HA LEU 118 0.686 8.075 -4.921 949 1HB LEU 118 1HB LEU 118 -0.255 5.396 -3.874 950 2HB LEU 118 2HB LEU 118 0.817 6.569 -3.147 951 HG LEU 118 HG LEU 118 -1.273 8.074 -2.866 952 1HD1 LEU 118 1HD1 LEU 118 -2.586 5.405 -3.562 953 2HD1 LEU 118 2HD1 LEU 118 -3.385 6.632 -2.588 954 3HD1 LEU 118 3HD1 LEU 118 -2.958 7.003 -4.252 955 1HD2 LEU 118 1HD2 LEU 118 -0.198 6.983 -0.993 956 2HD2 LEU 118 2HD2 LEU 118 -1.915 6.610 -0.831 957 3HD2 LEU 118 3HD2 LEU 118 -0.819 5.392 -1.482 958 H ILE 119 H ILE 119 2.681 7.514 -5.749 959 HA ILE 119 HA ILE 119 3.068 4.680 -6.519 960 HB ILE 119 HB ILE 119 4.434 5.112 -8.293 961 1HG1 ILE 119 1HG1 ILE 119 4.951 7.567 -9.047 962 2HG1 ILE 119 2HG1 ILE 119 4.756 7.960 -7.345 963 1HG2 ILE 119 1HG2 ILE 119 3.148 6.320 -9.898 964 2HG2 ILE 119 2HG2 ILE 119 2.013 5.596 -8.752 965 3HG2 ILE 119 3HG2 ILE 119 2.406 7.328 -8.645 966 1HD1 ILE 119 1HD1 ILE 119 6.671 5.863 -8.498 967 2HD1 ILE 119 2HD1 ILE 119 7.118 7.527 -8.096 968 3HD1 ILE 119 3HD1 ILE 119 6.650 6.413 -6.810 969 H ARG 120 H ARG 120 4.926 3.774 -5.648 970 HA ARG 120 HA ARG 120 6.831 5.387 -4.174 971 1HB ARG 120 1HB ARG 120 6.318 4.379 -1.974 972 2HB ARG 120 2HB ARG 120 4.969 5.350 -2.574 973 1HG ARG 120 1HG ARG 120 3.901 3.203 -3.429 974 2HG ARG 120 2HG ARG 120 5.179 2.307 -2.590 975 1HD ARG 120 1HD ARG 120 3.245 4.262 -1.273 976 2HD ARG 120 2HD ARG 120 3.033 2.500 -1.333 977 HE ARG 120 HE ARG 120 5.597 3.084 -0.251 978 1HH1 ARG 120 1HH1 ARG 120 2.165 3.352 0.628 979 2HH1 ARG 120 2HH1 ARG 120 2.449 3.087 2.328 980 1HH2 ARG 120 1HH2 ARG 120 5.944 2.697 1.980 981 2HH2 ARG 120 2HH2 ARG 120 4.613 2.740 3.106 982 H ARG 121 H ARG 121 8.660 4.193 -3.553 983 HA ARG 121 HA ARG 121 8.806 1.418 -4.651 984 1HB ARG 121 1HB ARG 121 10.859 3.618 -5.021 985 2HB ARG 121 2HB ARG 121 11.039 1.926 -5.503 986 1HG ARG 121 1HG ARG 121 9.246 2.077 -7.099 987 2HG ARG 121 2HG ARG 121 8.836 3.728 -6.608 988 1HD ARG 121 1HD ARG 121 11.513 2.911 -7.801 989 2HD ARG 121 2HD ARG 121 10.154 3.610 -8.710 990 HE ARG 121 HE ARG 121 10.707 5.298 -6.504 991 1HH1 ARG 121 1HH1 ARG 121 12.185 4.337 -9.582 992 2HH1 ARG 121 2HH1 ARG 121 12.996 5.865 -9.814 993 1HH2 ARG 121 1HH2 ARG 121 11.783 7.291 -6.810 994 2HH2 ARG 121 2HH2 ARG 121 12.770 7.551 -8.226 995 H SER 122 H SER 122 9.873 0.007 -3.448 996 HA SER 122 HA SER 122 11.226 0.931 -0.961 997 1HB SER 122 1HB SER 122 8.954 0.109 -0.426 998 2HB SER 122 2HB SER 122 9.290 -1.411 -1.264 999 HG SER 122 HG SER 122 10.871 -1.830 0.292 1000 H LYS 123 H LYS 123 12.534 -0.646 -0.004 1001 HA LYS 123 HA LYS 123 13.875 -2.537 -1.880 1002 1HB LYS 123 1HB LYS 123 15.210 -0.521 -1.770 1003 2HB LYS 123 2HB LYS 123 15.210 -0.548 -0.001 1004 1HG LYS 123 1HG LYS 123 16.507 -2.578 0.065 1005 2HG LYS 123 2HG LYS 123 16.349 -2.830 -1.679 1006 1HD LYS 123 1HD LYS 123 17.709 -0.375 -0.515 1007 2HD LYS 123 2HD LYS 123 18.568 -1.895 -0.823 1008 1HE LYS 123 1HE LYS 123 17.904 -1.823 -3.209 1009 2HE LYS 123 2HE LYS 123 17.079 -0.276 -2.946 1010 1HZ LYS 123 1HZ LYS 123 19.941 -0.774 -2.575 1011 2HZ LYS 123 2HZ LYS 123 19.241 0.042 -3.824 1012 3HZ LYS 123 3HZ LYS 123 19.174 0.660 -2.298 1013 H ARG 124 H ARG 124 14.187 -4.533 -0.984 1014 HA ARG 124 HA ARG 124 12.810 -5.142 1.413 1015 1HB ARG 124 1HB ARG 124 13.263 -6.620 -0.693 1016 2HB ARG 124 2HB ARG 124 14.824 -6.944 0.071 1017 1HG ARG 124 1HG ARG 124 13.494 -7.643 2.148 1018 2HG ARG 124 2HG ARG 124 12.037 -7.486 1.190 1019 1HD ARG 124 1HD ARG 124 12.847 -9.839 1.375 1020 2HD ARG 124 2HD ARG 124 12.715 -9.266 -0.292 1021 HE ARG 124 HE ARG 124 14.902 -9.720 -0.580 1022 1HH1 ARG 124 1HH1 ARG 124 14.514 -9.126 2.926 1023 2HH1 ARG 124 2HH1 ARG 124 16.210 -9.261 3.248 1024 1HH2 ARG 124 1HH2 ARG 124 17.101 -10.025 -0.092 1025 2HH2 ARG 124 2HH2 ARG 124 17.671 -9.870 1.552 1026 H VAL 125 H VAL 125 13.658 -5.955 3.379 1027 HA VAL 125 HA VAL 125 16.545 -5.515 3.974 1028 HB VAL 125 HB VAL 125 14.183 -5.141 5.869 1029 1HG1 VAL 125 1HG1 VAL 125 15.926 -4.203 7.371 1030 2HG1 VAL 125 2HG1 VAL 125 16.279 -5.890 6.962 1031 3HG1 VAL 125 3HG1 VAL 125 17.169 -4.580 6.159 1032 1HG2 VAL 125 1HG2 VAL 125 14.793 -2.725 5.821 1033 2HG2 VAL 125 2HG2 VAL 125 15.911 -3.053 4.478 1034 3HG2 VAL 125 3HG2 VAL 125 14.161 -3.288 4.271 Start of MODEL 6 1 1H ALA 1 1H ALA 1 4.636 -5.884 0.035 2 2H ALA 1 2H ALA 1 4.879 -7.172 1.033 3 3H ALA 1 3H ALA 1 5.234 -7.293 -0.570 4 HA ALA 1 HA ALA 1 2.582 -6.845 0.568 5 1HB ALA 1 1HB ALA 1 2.913 -5.844 -1.675 6 2HB ALA 1 2HB ALA 1 3.333 -7.446 -2.316 7 3HB ALA 1 3HB ALA 1 1.710 -7.146 -1.662 8 H PHE 2 H PHE 2 4.881 -9.191 -0.759 9 HA PHE 2 HA PHE 2 3.041 -11.446 -0.415 10 1HB PHE 2 1HB PHE 2 5.840 -11.150 -1.472 11 2HB PHE 2 2HB PHE 2 5.029 -12.702 -1.256 12 HD1 PHE 2 HD1 PHE 2 3.427 -13.525 -2.877 13 HD2 PHE 2 HD2 PHE 2 4.780 -9.443 -3.070 14 HE1 PHE 2 HE1 PHE 2 2.406 -13.287 -5.125 15 HE2 PHE 2 HE2 PHE 2 3.800 -9.219 -5.338 16 HZ PHE 2 HZ PHE 2 2.629 -11.140 -6.373 17 H SER 3 H SER 3 6.312 -10.498 0.829 18 HA SER 3 HA SER 3 5.925 -11.720 3.431 19 1HB SER 3 1HB SER 3 7.649 -13.464 3.128 20 2HB SER 3 2HB SER 3 6.221 -13.787 2.138 21 HG SER 3 HG SER 3 7.336 -12.925 0.354 22 H GLY 4 H GLY 4 7.696 -11.222 4.828 23 1HA GLY 4 1HA GLY 4 9.999 -10.927 5.184 24 2HA GLY 4 2HA GLY 4 10.187 -10.116 3.628 25 H THR 5 H THR 5 11.410 -8.599 5.069 26 HA THR 5 HA THR 5 9.646 -6.536 6.312 27 HB THR 5 HB THR 5 12.445 -7.362 7.164 28 HG1 THR 5 HG1 THR 5 10.781 -8.839 7.723 29 1HG2 THR 5 1HG2 THR 5 12.048 -4.970 7.583 30 2HG2 THR 5 2HG2 THR 5 10.455 -5.345 8.286 31 3HG2 THR 5 3HG2 THR 5 11.941 -5.862 9.110 32 H TRP 6 H TRP 6 9.955 -4.478 5.608 33 HA TRP 6 HA TRP 6 12.034 -3.929 3.568 34 1HB TRP 6 1HB TRP 6 9.042 -3.610 3.124 35 2HB TRP 6 2HB TRP 6 10.322 -3.231 1.975 36 HD1 TRP 6 HD1 TRP 6 8.786 -6.295 3.732 37 HE1 TRP 6 HE1 TRP 6 9.007 -8.365 2.196 38 HE3 TRP 6 HE3 TRP 6 11.222 -4.139 -0.217 39 HZ2 TRP 6 HZ2 TRP 6 10.067 -8.971 -0.369 40 HZ3 TRP 6 HZ3 TRP 6 11.844 -5.493 -2.166 41 HH2 TRP 6 HH2 TRP 6 11.309 -7.917 -2.263 42 H GLN 7 H GLN 7 11.949 -1.704 2.784 43 HA GLN 7 HA GLN 7 10.968 0.284 4.718 44 1HB GLN 7 1HB GLN 7 13.180 -0.593 5.506 45 2HB GLN 7 2HB GLN 7 13.894 -0.165 3.946 46 1HG GLN 7 1HG GLN 7 14.482 1.479 5.604 47 2HG GLN 7 2HG GLN 7 13.418 2.244 4.422 48 1HE2 GLN 7 1HE2 GLN 7 11.161 2.638 5.050 49 2HE2 GLN 7 2HE2 GLN 7 10.745 2.778 6.744 50 H VAL 8 H VAL 8 10.130 1.917 3.576 51 HA VAL 8 HA VAL 8 10.201 2.246 0.781 52 HB VAL 8 HB VAL 8 9.657 4.281 2.966 53 1HG1 VAL 8 1HG1 VAL 8 8.320 5.457 1.222 54 2HG1 VAL 8 2HG1 VAL 8 10.035 5.439 0.820 55 3HG1 VAL 8 3HG1 VAL 8 8.922 4.318 0.002 56 1HG2 VAL 8 1HG2 VAL 8 7.741 2.519 1.373 57 2HG2 VAL 8 2HG2 VAL 8 8.158 2.287 3.084 58 3HG2 VAL 8 3HG2 VAL 8 7.287 3.733 2.577 59 H TYR 9 H TYR 9 11.510 3.430 -0.613 60 HA TYR 9 HA TYR 9 13.754 5.005 0.583 61 1HB TYR 9 1HB TYR 9 15.283 4.250 -1.008 62 2HB TYR 9 2HB TYR 9 14.572 2.842 -0.240 63 HD1 TYR 9 HD1 TYR 9 13.295 1.236 -1.526 64 HD2 TYR 9 HD2 TYR 9 14.842 4.798 -3.378 65 HE1 TYR 9 HE1 TYR 9 12.978 0.208 -3.766 66 HE2 TYR 9 HE2 TYR 9 14.500 3.788 -5.614 67 HH TYR 9 HH TYR 9 13.168 0.488 -6.040 68 H ALA 10 H ALA 10 11.456 4.655 -2.136 69 HA ALA 10 HA ALA 10 11.877 7.553 -2.755 70 1HB ALA 10 1HB ALA 10 13.110 6.295 -4.439 71 2HB ALA 10 2HB ALA 10 11.713 5.234 -4.716 72 3HB ALA 10 3HB ALA 10 11.630 6.951 -5.165 73 H GLN 11 H GLN 11 10.043 8.645 -3.498 74 HA GLN 11 HA GLN 11 7.546 7.302 -3.960 75 1HB GLN 11 1HB GLN 11 6.303 8.227 -2.095 76 2HB GLN 11 2HB GLN 11 7.565 7.133 -1.531 77 1HG GLN 11 1HG GLN 11 8.101 8.730 -0.070 78 2HG GLN 11 2HG GLN 11 8.888 9.574 -1.400 79 1HE2 GLN 11 1HE2 GLN 11 7.681 11.337 -2.462 80 2HE2 GLN 11 2HE2 GLN 11 6.376 12.133 -1.602 81 H GLU 12 H GLU 12 5.956 8.593 -4.824 82 HA GLU 12 HA GLU 12 6.316 11.479 -5.052 83 1HB GLU 12 1HB GLU 12 7.677 10.668 -6.917 84 2HB GLU 12 2HB GLU 12 6.359 9.614 -7.458 85 1HG GLU 12 1HG GLU 12 4.965 11.557 -8.002 86 2HG GLU 12 2HG GLU 12 6.203 12.657 -7.365 87 HE2 GLU 12 HE2 GLU 12 8.312 12.288 -10.161 88 H ASN 13 H ASN 13 4.387 12.481 -5.367 89 HA ASN 13 HA ASN 13 2.190 12.835 -5.047 90 1HB ASN 13 1HB ASN 13 1.829 10.273 -6.633 91 2HB ASN 13 2HB ASN 13 0.533 11.369 -6.134 92 1HD2 ASN 13 1HD2 ASN 13 0.423 10.989 -8.639 93 2HD2 ASN 13 2HD2 ASN 13 1.150 12.271 -9.597 94 H TYR 14 H TYR 14 2.332 12.705 -2.847 95 HA TYR 14 HA TYR 14 0.978 10.410 -1.604 96 1HB TYR 14 1HB TYR 14 3.516 9.992 -1.638 97 2HB TYR 14 2HB TYR 14 3.671 11.371 -0.556 98 HD1 TYR 14 HD1 TYR 14 3.955 10.719 1.713 99 HD2 TYR 14 HD2 TYR 14 1.599 8.243 -0.901 100 HE1 TYR 14 HE1 TYR 14 3.883 8.953 3.442 101 HE2 TYR 14 HE2 TYR 14 1.377 6.551 0.898 102 HH TYR 14 HH TYR 14 3.053 6.898 4.044 103 H GLU 15 H GLU 15 2.727 13.466 -0.992 104 HA GLU 15 HA GLU 15 1.284 14.520 1.143 105 1HB GLU 15 1HB GLU 15 3.263 15.590 0.265 106 2HB GLU 15 2HB GLU 15 2.545 15.768 -1.344 107 1HG GLU 15 1HG GLU 15 0.963 17.444 -0.523 108 2HG GLU 15 2HG GLU 15 1.535 17.220 1.133 109 HE2 GLU 15 HE2 GLU 15 3.773 19.244 -1.600 110 H GLU 16 H GLU 16 0.511 14.781 -2.361 111 HA GLU 16 HA GLU 16 -1.806 16.335 -2.075 112 1HB GLU 16 1HB GLU 16 -0.661 16.004 -4.216 113 2HB GLU 16 2HB GLU 16 -1.017 14.272 -4.189 114 1HG GLU 16 1HG GLU 16 -2.499 15.511 -5.727 115 2HG GLU 16 2HG GLU 16 -3.404 14.690 -4.455 116 HE2 GLU 16 HE2 GLU 16 -5.055 17.615 -3.711 117 H PHE 17 H PHE 17 -1.464 12.738 -2.151 118 HA PHE 17 HA PHE 17 -4.262 12.226 -1.915 119 1HB PHE 17 1HB PHE 17 -2.891 10.433 -2.635 120 2HB PHE 17 2HB PHE 17 -1.759 10.628 -1.307 121 HD1 PHE 17 HD1 PHE 17 -5.397 9.801 -1.903 122 HD2 PHE 17 HD2 PHE 17 -1.928 9.266 0.603 123 HE1 PHE 17 HE1 PHE 17 -6.644 8.172 -0.492 124 HE2 PHE 17 HE2 PHE 17 -3.147 7.571 1.932 125 HZ PHE 17 HZ PHE 17 -5.516 7.042 1.397 126 H LEU 18 H LEU 18 -1.690 12.364 0.620 127 HA LEU 18 HA LEU 18 -3.484 11.717 2.724 128 1HB LEU 18 1HB LEU 18 -0.846 13.223 2.739 129 2HB LEU 18 2HB LEU 18 -1.646 12.606 4.194 130 HG LEU 18 HG LEU 18 -0.720 10.820 1.901 131 1HD1 LEU 18 1HD1 LEU 18 0.642 11.402 4.556 132 2HD1 LEU 18 2HD1 LEU 18 1.189 10.278 3.296 133 3HD1 LEU 18 3HD1 LEU 18 1.178 12.022 2.976 134 1HD2 LEU 18 1HD2 LEU 18 -1.476 10.129 4.770 135 2HD2 LEU 18 2HD2 LEU 18 -2.484 9.795 3.346 136 3HD2 LEU 18 3HD2 LEU 18 -0.911 9.006 3.526 137 H LYS 19 H LYS 19 -2.613 14.896 1.313 138 HA LYS 19 HA LYS 19 -4.112 16.309 3.327 139 1HB LYS 19 1HB LYS 19 -2.152 17.248 2.128 140 2HB LYS 19 2HB LYS 19 -3.110 17.311 0.637 141 1HG LYS 19 1HG LYS 19 -4.679 18.882 1.681 142 2HG LYS 19 2HG LYS 19 -3.897 18.665 3.260 143 1HD LYS 19 1HD LYS 19 -1.815 19.669 2.423 144 2HD LYS 19 2HD LYS 19 -2.498 19.777 0.791 145 1HE LYS 19 1HE LYS 19 -2.588 21.964 1.852 146 2HE LYS 19 2HE LYS 19 -4.234 21.351 1.615 147 1HZ LYS 19 1HZ LYS 19 -4.235 20.700 3.928 148 2HZ LYS 19 2HZ LYS 19 -2.716 21.307 4.140 149 3HZ LYS 19 3HZ LYS 19 -3.957 22.314 3.766 150 H ALA 20 H ALA 20 -4.825 14.988 0.071 151 HA ALA 20 HA ALA 20 -7.444 16.202 -0.107 152 1HB ALA 20 1HB ALA 20 -6.266 15.420 -2.102 153 2HB ALA 20 2HB ALA 20 -6.289 13.748 -1.490 154 3HB ALA 20 3HB ALA 20 -7.809 14.568 -1.903 155 H LEU 21 H LEU 21 -6.089 13.399 1.577 156 HA LEU 21 HA LEU 21 -8.534 11.951 1.854 157 1HB LEU 21 1HB LEU 21 -6.320 10.908 1.873 158 2HB LEU 21 2HB LEU 21 -5.850 11.868 3.274 159 HG LEU 21 HG LEU 21 -7.676 10.704 4.596 160 1HD1 LEU 21 1HD1 LEU 21 -7.751 8.977 2.071 161 2HD1 LEU 21 2HD1 LEU 21 -8.484 8.559 3.634 162 3HD1 LEU 21 3HD1 LEU 21 -9.093 9.942 2.724 163 1HD2 LEU 21 1HD2 LEU 21 -6.315 8.698 4.889 164 2HD2 LEU 21 2HD2 LEU 21 -5.494 8.993 3.339 165 3HD2 LEU 21 3HD2 LEU 21 -5.277 10.115 4.697 166 H ALA 22 H ALA 22 -6.511 13.678 4.288 167 HA ALA 22 HA ALA 22 -8.698 15.106 5.413 168 1HB ALA 22 1HB ALA 22 -8.726 13.964 7.658 169 2HB ALA 22 2HB ALA 22 -9.444 12.993 6.369 170 3HB ALA 22 3HB ALA 22 -7.808 12.620 6.947 171 H LEU 23 H LEU 23 -5.794 13.489 6.703 172 HA LEU 23 HA LEU 23 -5.265 15.366 8.558 173 1HB LEU 23 1HB LEU 23 -3.051 14.463 8.824 174 2HB LEU 23 2HB LEU 23 -4.283 13.224 8.727 175 HG LEU 23 HG LEU 23 -2.722 13.927 6.222 176 1HD1 LEU 23 1HD1 LEU 23 -0.978 12.288 6.889 177 2HD1 LEU 23 2HD1 LEU 23 -0.996 13.701 7.942 178 3HD1 LEU 23 3HD1 LEU 23 -1.714 12.177 8.502 179 1HD2 LEU 23 1HD2 LEU 23 -2.961 11.447 5.875 180 2HD2 LEU 23 2HD2 LEU 23 -3.928 11.362 7.352 181 3HD2 LEU 23 3HD2 LEU 23 -4.508 12.279 5.942 182 HA PRO 24 HA PRO 24 -3.786 18.874 6.396 183 1HB PRO 24 1HB PRO 24 -2.942 20.487 8.424 184 2HB PRO 24 2HB PRO 24 -4.641 19.963 8.281 185 1HG PRO 24 1HG PRO 24 -2.458 18.682 9.958 186 2HG PRO 24 2HG PRO 24 -4.069 19.236 10.512 187 1HD PRO 24 1HD PRO 24 -3.636 16.646 9.822 188 2HD PRO 24 2HD PRO 24 -5.161 17.472 9.384 189 H GLU 25 H GLU 25 -1.905 20.352 6.163 190 HA GLU 25 HA GLU 25 0.371 19.199 5.271 191 1HB GLU 25 1HB GLU 25 1.320 21.388 5.205 192 2HB GLU 25 2HB GLU 25 -0.363 21.402 4.699 193 1HG GLU 25 1HG GLU 25 0.641 22.315 7.438 194 2HG GLU 25 2HG GLU 25 0.320 23.369 6.065 195 HE2 GLU 25 HE2 GLU 25 -2.605 23.148 8.402 196 H ASP 26 H ASP 26 -0.269 20.229 8.593 197 HA ASP 26 HA ASP 26 2.421 20.149 9.541 198 1HB ASP 26 1HB ASP 26 -0.237 19.848 11.021 199 2HB ASP 26 2HB ASP 26 1.328 20.205 11.758 200 HD2 ASP 26 HD2 ASP 26 -0.786 23.262 10.909 201 H LEU 27 H LEU 27 -0.062 17.630 9.165 202 HA LEU 27 HA LEU 27 1.596 15.705 10.702 203 1HB LEU 27 1HB LEU 27 -1.150 15.418 9.480 204 2HB LEU 27 2HB LEU 27 -0.310 14.217 10.479 205 HG LEU 27 HG LEU 27 -1.452 16.910 11.311 206 1HD1 LEU 27 1HD1 LEU 27 -1.878 14.080 12.373 207 2HD1 LEU 27 2HD1 LEU 27 -2.759 15.544 12.860 208 3HD1 LEU 27 3HD1 LEU 27 -2.950 14.896 11.222 209 1HD2 LEU 27 1HD2 LEU 27 0.669 16.837 12.480 210 2HD2 LEU 27 2HD2 LEU 27 -0.589 16.364 13.624 211 3HD2 LEU 27 3HD2 LEU 27 0.444 15.121 12.887 212 H ILE 28 H ILE 28 0.623 16.409 7.327 213 HA ILE 28 HA ILE 28 1.781 13.939 6.349 214 HB ILE 28 HB ILE 28 1.580 14.692 4.174 215 1HG1 ILE 28 1HG1 ILE 28 0.696 17.167 3.840 216 2HG1 ILE 28 2HG1 ILE 28 1.620 17.449 5.327 217 1HG2 ILE 28 1HG2 ILE 28 -0.742 15.265 4.013 218 2HG2 ILE 28 2HG2 ILE 28 -0.504 14.188 5.403 219 3HG2 ILE 28 3HG2 ILE 28 -0.765 15.922 5.652 220 1HD1 ILE 28 1HD1 ILE 28 2.834 17.910 3.174 221 2HD1 ILE 28 2HD1 ILE 28 3.692 16.774 4.203 222 3HD1 ILE 28 3HD1 ILE 28 2.771 16.171 2.813 223 H LYS 29 H LYS 29 3.185 16.948 7.473 224 HA LYS 29 HA LYS 29 5.769 16.760 6.367 225 1HB LYS 29 1HB LYS 29 4.498 17.936 8.751 226 2HB LYS 29 2HB LYS 29 6.101 17.305 9.123 227 1HG LYS 29 1HG LYS 29 7.049 18.610 7.246 228 2HG LYS 29 2HG LYS 29 5.441 19.318 6.947 229 1HD LYS 29 1HD LYS 29 5.383 20.249 9.212 230 2HD LYS 29 2HD LYS 29 6.912 19.468 9.631 231 1HE LYS 29 1HE LYS 29 6.621 21.560 7.427 232 2HE LYS 29 2HE LYS 29 7.082 21.923 9.099 233 1HZ LYS 29 1HZ LYS 29 8.579 20.184 7.273 234 2HZ LYS 29 2HZ LYS 29 8.997 21.705 7.746 235 3HZ LYS 29 3HZ LYS 29 8.964 20.481 8.848 236 H MET 30 H MET 30 4.153 14.755 8.825 237 HA MET 30 HA MET 30 6.607 13.140 9.232 238 1HB MET 30 1HB MET 30 3.986 13.203 10.775 239 2HB MET 30 2HB MET 30 5.363 12.136 11.091 240 1HG MET 30 1HG MET 30 5.661 13.819 12.635 241 2HG MET 30 2HG MET 30 6.788 14.244 11.346 242 1HE MET 30 1HE MET 30 6.232 16.355 13.537 243 2HE MET 30 2HE MET 30 7.197 16.617 12.064 244 3HE MET 30 3HE MET 30 5.945 17.791 12.527 245 H ALA 31 H ALA 31 5.506 13.022 6.704 246 HA ALA 31 HA ALA 31 5.033 10.142 6.537 247 1HB ALA 31 1HB ALA 31 3.006 10.258 5.233 248 2HB ALA 31 2HB ALA 31 2.721 11.061 6.782 249 3HB ALA 31 3HB ALA 31 2.983 12.032 5.319 250 H ARG 32 H ARG 32 4.985 13.195 4.723 251 HA ARG 32 HA ARG 32 5.550 12.349 2.168 252 1HB ARG 32 1HB ARG 32 4.835 14.611 2.911 253 2HB ARG 32 2HB ARG 32 6.473 14.913 3.515 254 1HG ARG 32 1HG ARG 32 7.323 14.575 1.144 255 2HG ARG 32 2HG ARG 32 5.645 14.353 0.627 256 1HD ARG 32 1HD ARG 32 6.276 16.664 0.187 257 2HD ARG 32 2HD ARG 32 5.100 16.629 1.501 258 HE ARG 32 HE ARG 32 6.630 17.495 2.942 259 1HH1 ARG 32 1HH1 ARG 32 8.391 16.315 0.091 260 2HH1 ARG 32 2HH1 ARG 32 9.932 16.922 0.635 261 1HH2 ARG 32 1HH2 ARG 32 8.667 18.262 3.654 262 2HH2 ARG 32 2HH2 ARG 32 10.088 18.027 2.668 263 H ASP 33 H ASP 33 7.920 13.243 4.702 264 HA ASP 33 HA ASP 33 10.115 12.059 3.046 265 1HB ASP 33 1HB ASP 33 10.143 14.569 3.233 266 2HB ASP 33 2HB ASP 33 10.273 14.396 4.989 267 HD2 ASP 33 HD2 ASP 33 13.682 14.794 4.264 268 H ILE 34 H ILE 34 8.349 10.663 4.846 269 HA ILE 34 HA ILE 34 10.311 9.741 6.901 270 HB ILE 34 HB ILE 34 7.273 9.650 6.950 271 1HG1 ILE 34 1HG1 ILE 34 7.999 11.886 7.540 272 2HG1 ILE 34 2HG1 ILE 34 7.399 11.017 8.958 273 1HG2 ILE 34 1HG2 ILE 34 7.559 8.698 9.233 274 2HG2 ILE 34 2HG2 ILE 34 8.103 7.623 7.956 275 3HG2 ILE 34 3HG2 ILE 34 9.296 8.518 8.916 276 1HD1 ILE 34 1HD1 ILE 34 10.338 11.498 8.334 277 2HD1 ILE 34 2HD1 ILE 34 9.348 12.349 9.527 278 3HD1 ILE 34 3HD1 ILE 34 9.696 10.629 9.750 279 H LYS 35 H LYS 35 10.622 7.573 6.977 280 HA LYS 35 HA LYS 35 9.752 6.001 4.608 281 1HB LYS 35 1HB LYS 35 12.329 5.855 6.219 282 2HB LYS 35 2HB LYS 35 11.832 4.791 4.896 283 1HG LYS 35 1HG LYS 35 13.132 6.250 3.717 284 2HG LYS 35 2HG LYS 35 11.550 7.001 3.521 285 1HD LYS 35 1HD LYS 35 12.268 8.425 5.649 286 2HD LYS 35 2HD LYS 35 13.885 7.823 5.288 287 1HE LYS 35 1HE LYS 35 13.757 8.834 3.034 288 2HE LYS 35 2HE LYS 35 12.072 9.310 3.327 289 1HZ LYS 35 1HZ LYS 35 12.820 10.692 5.118 290 2HZ LYS 35 2HZ LYS 35 14.398 10.302 4.808 291 3HZ LYS 35 3HZ LYS 35 13.504 11.137 3.696 292 HA PRO 36 HA PRO 36 7.849 4.116 8.378 293 1HB PRO 36 1HB PRO 36 5.639 3.010 7.210 294 2HB PRO 36 2HB PRO 36 5.753 4.741 7.648 295 1HG PRO 36 1HG PRO 36 6.263 3.490 4.938 296 2HG PRO 36 2HG PRO 36 5.228 4.899 5.313 297 1HD PRO 36 1HD PRO 36 7.762 5.210 4.433 298 2HD PRO 36 2HD PRO 36 7.111 6.285 5.706 299 H ILE 37 H ILE 37 8.239 2.058 9.076 300 HA ILE 37 HA ILE 37 9.590 0.202 7.249 301 HB ILE 37 HB ILE 37 10.549 0.611 9.391 302 1HG1 ILE 37 1HG1 ILE 37 10.618 -1.710 8.255 303 2HG1 ILE 37 2HG1 ILE 37 11.235 -1.495 9.889 304 1HG2 ILE 37 1HG2 ILE 37 8.044 -0.531 10.659 305 2HG2 ILE 37 2HG2 ILE 37 9.557 -0.166 11.509 306 3HG2 ILE 37 3HG2 ILE 37 8.620 1.143 10.787 307 1HD1 ILE 37 1HD1 ILE 37 8.491 -2.679 9.285 308 2HD1 ILE 37 2HD1 ILE 37 9.963 -3.578 9.668 309 3HD1 ILE 37 3HD1 ILE 37 9.258 -2.513 10.877 310 H VAL 38 H VAL 38 8.751 -1.693 6.522 311 HA VAL 38 HA VAL 38 5.870 -2.259 7.080 312 HB VAL 38 HB VAL 38 7.364 -2.382 4.433 313 1HG1 VAL 38 1HG1 VAL 38 4.445 -2.985 5.111 314 2HG1 VAL 38 2HG1 VAL 38 5.127 -2.906 3.474 315 3HG1 VAL 38 3HG1 VAL 38 5.665 -4.164 4.589 316 1HG2 VAL 38 1HG2 VAL 38 5.168 -0.510 5.430 317 2HG2 VAL 38 2HG2 VAL 38 6.838 -0.057 5.018 318 3HG2 VAL 38 3HG2 VAL 38 5.736 -0.604 3.749 319 H GLU 39 H GLU 39 5.324 -4.386 7.282 320 HA GLU 39 HA GLU 39 7.408 -6.483 7.111 321 1HB GLU 39 1HB GLU 39 7.455 -5.512 9.397 322 2HB GLU 39 2HB GLU 39 5.725 -5.864 9.578 323 1HG GLU 39 1HG GLU 39 6.209 -8.293 9.334 324 2HG GLU 39 2HG GLU 39 7.924 -7.923 9.089 325 HE2 GLU 39 HE2 GLU 39 7.889 -8.828 12.518 326 H ILE 40 H ILE 40 6.558 -8.311 6.226 327 HA ILE 40 HA ILE 40 3.614 -8.643 6.079 328 HB ILE 40 HB ILE 40 5.702 -9.186 3.938 329 1HG1 ILE 40 1HG1 ILE 40 3.902 -7.422 2.816 330 2HG1 ILE 40 2HG1 ILE 40 3.997 -6.798 4.460 331 1HG2 ILE 40 1HG2 ILE 40 2.681 -9.518 3.852 332 2HG2 ILE 40 2HG2 ILE 40 3.796 -9.654 2.487 333 3HG2 ILE 40 3HG2 ILE 40 3.891 -10.815 3.807 334 1HD1 ILE 40 1HD1 ILE 40 6.354 -7.387 2.599 335 2HD1 ILE 40 2HD1 ILE 40 5.665 -5.785 2.913 336 3HD1 ILE 40 3HD1 ILE 40 6.476 -6.673 4.225 337 H GLN 41 H GLN 41 2.911 -10.703 6.479 338 HA GLN 41 HA GLN 41 4.926 -12.879 6.835 339 1HB GLN 41 1HB GLN 41 4.127 -11.899 9.008 340 2HB GLN 41 2HB GLN 41 2.485 -12.409 8.578 341 1HG GLN 41 1HG GLN 41 3.293 -14.780 8.460 342 2HG GLN 41 2HG GLN 41 4.919 -14.231 8.904 343 1HE2 GLN 41 1HE2 GLN 41 5.399 -14.297 11.085 344 2HE2 GLN 41 2HE2 GLN 41 4.207 -14.283 12.366 345 H GLN 42 H GLN 42 4.512 -14.549 5.564 346 HA GLN 42 HA GLN 42 2.019 -14.683 4.024 347 1HB GLN 42 1HB GLN 42 4.204 -14.562 2.938 348 2HB GLN 42 2HB GLN 42 4.712 -16.069 3.706 349 1HG GLN 42 1HG GLN 42 3.099 -17.358 2.518 350 2HG GLN 42 2HG GLN 42 2.219 -15.931 1.963 351 1HE2 GLN 42 1HE2 GLN 42 3.978 -14.275 0.785 352 2HE2 GLN 42 2HE2 GLN 42 4.862 -15.093 -0.490 353 H LYS 43 H LYS 43 0.697 -16.378 3.951 354 HA LYS 43 HA LYS 43 1.243 -18.861 5.459 355 1HB LYS 43 1HB LYS 43 -0.106 -17.007 6.761 356 2HB LYS 43 2HB LYS 43 -1.400 -17.380 5.634 357 1HG LYS 43 1HG LYS 43 -1.997 -18.859 7.239 358 2HG LYS 43 2HG LYS 43 -0.801 -19.920 6.489 359 1HD LYS 43 1HD LYS 43 -0.315 -18.036 8.847 360 2HD LYS 43 2HD LYS 43 -0.633 -19.775 8.965 361 1HE LYS 43 1HE LYS 43 1.441 -20.222 7.631 362 2HE LYS 43 2HE LYS 43 1.790 -18.481 7.658 363 1HZ LYS 43 1HZ LYS 43 1.875 -18.578 10.026 364 2HZ LYS 43 2HZ LYS 43 1.571 -20.200 10.013 365 3HZ LYS 43 3HZ LYS 43 2.963 -19.616 9.355 366 H GLY 44 H GLY 44 1.464 -18.508 2.672 367 1HA GLY 44 1HA GLY 44 1.039 -19.859 0.887 368 2HA GLY 44 2HA GLY 44 -0.097 -20.763 1.887 369 H ASP 45 H ASP 45 0.263 -18.333 -0.573 370 HA ASP 45 HA ASP 45 -1.134 -17.118 -1.869 371 1HB ASP 45 1HB ASP 45 -3.191 -19.281 -1.287 372 2HB ASP 45 2HB ASP 45 -3.113 -18.194 -2.679 373 HD2 ASP 45 HD2 ASP 45 -0.451 -19.919 -4.234 374 H ASP 46 H ASP 46 -1.187 -16.745 1.139 375 HA ASP 46 HA ASP 46 -3.181 -14.653 1.176 376 1HB ASP 46 1HB ASP 46 -4.421 -16.629 2.064 377 2HB ASP 46 2HB ASP 46 -3.109 -16.918 3.222 378 HD2 ASP 46 HD2 ASP 46 -5.489 -15.318 5.281 379 H PHE 47 H PHE 47 -2.539 -13.066 2.539 380 HA PHE 47 HA PHE 47 -0.268 -13.474 4.335 381 1HB PHE 47 1HB PHE 47 0.762 -11.266 3.002 382 2HB PHE 47 2HB PHE 47 1.388 -12.888 2.958 383 HD1 PHE 47 HD1 PHE 47 -0.984 -10.613 1.186 384 HD2 PHE 47 HD2 PHE 47 1.600 -14.043 0.919 385 HE1 PHE 47 HE1 PHE 47 -1.213 -10.603 -1.299 386 HE2 PHE 47 HE2 PHE 47 1.327 -14.070 -1.540 387 HZ PHE 47 HZ PHE 47 -0.042 -12.335 -2.648 388 H VAL 48 H VAL 48 0.087 -11.882 5.804 389 HA VAL 48 HA VAL 48 -1.893 -9.669 5.886 390 HB VAL 48 HB VAL 48 -2.166 -11.153 7.709 391 1HG1 VAL 48 1HG1 VAL 48 0.047 -12.207 7.894 392 2HG1 VAL 48 2HG1 VAL 48 0.741 -10.677 8.484 393 3HG1 VAL 48 3HG1 VAL 48 -0.475 -11.535 9.443 394 1HG2 VAL 48 1HG2 VAL 48 -2.374 -8.649 8.034 395 2HG2 VAL 48 2HG2 VAL 48 -2.009 -9.533 9.526 396 3HG2 VAL 48 3HG2 VAL 48 -0.730 -8.637 8.691 397 H VAL 49 H VAL 49 -1.196 -7.697 5.771 398 HA VAL 49 HA VAL 49 1.726 -7.108 5.676 399 HB VAL 49 HB VAL 49 -0.672 -5.848 4.278 400 1HG1 VAL 49 1HG1 VAL 49 0.874 -4.066 4.885 401 2HG1 VAL 49 2HG1 VAL 49 2.259 -5.013 4.295 402 3HG1 VAL 49 3HG1 VAL 49 1.034 -4.403 3.160 403 1HG2 VAL 49 1HG2 VAL 49 1.678 -7.496 3.304 404 2HG2 VAL 49 2HG2 VAL 49 -0.046 -7.882 3.169 405 3HG2 VAL 49 3HG2 VAL 49 0.646 -6.550 2.225 406 H THR 50 H THR 50 2.452 -5.667 7.118 407 HA THR 50 HA THR 50 0.558 -3.932 8.603 408 HB THR 50 HB THR 50 2.817 -5.605 9.784 409 HG1 THR 50 HG1 THR 50 1.064 -6.558 10.887 410 1HG2 THR 50 1HG2 THR 50 1.981 -4.678 11.962 411 2HG2 THR 50 2HG2 THR 50 2.701 -3.431 10.932 412 3HG2 THR 50 3HG2 THR 50 0.933 -3.564 11.059 413 H SER 51 H SER 51 1.298 -1.882 8.842 414 HA SER 51 HA SER 51 4.055 -1.179 8.040 415 1HB SER 51 1HB SER 51 2.468 -0.652 6.198 416 2HB SER 51 2HB SER 51 1.484 0.303 7.324 417 HG SER 51 HG SER 51 3.298 1.661 7.621 418 H LYS 52 H LYS 52 5.011 0.341 9.395 419 HA LYS 52 HA LYS 52 3.424 1.201 11.775 420 1HB LYS 52 1HB LYS 52 6.354 0.464 11.673 421 2HB LYS 52 2HB LYS 52 5.379 0.842 13.091 422 1HG LYS 52 1HG LYS 52 4.026 -1.208 12.714 423 2HG LYS 52 2HG LYS 52 4.978 -1.566 11.258 424 1HD LYS 52 1HD LYS 52 7.052 -1.615 12.694 425 2HD LYS 52 2HD LYS 52 5.993 -1.532 14.120 426 1HE LYS 52 1HE LYS 52 4.833 -3.600 13.353 427 2HE LYS 52 2HE LYS 52 5.866 -3.643 11.910 428 1HZ LYS 52 1HZ LYS 52 6.702 -5.122 13.515 429 2HZ LYS 52 2HZ LYS 52 7.762 -3.871 13.378 430 3HZ LYS 52 3HZ LYS 52 6.761 -3.958 14.686 431 H THR 53 H THR 53 3.214 3.394 11.763 432 HA THR 53 HA THR 53 5.362 5.037 10.497 433 HB THR 53 HB THR 53 3.848 6.247 9.286 434 HG1 THR 53 HG1 THR 53 1.630 6.411 9.862 435 1HG2 THR 53 1HG2 THR 53 2.190 3.706 9.503 436 2HG2 THR 53 2HG2 THR 53 2.203 4.885 8.184 437 3HG2 THR 53 3HG2 THR 53 3.637 3.891 8.483 438 HA PRO 54 HA PRO 54 5.153 7.295 14.355 439 1HB PRO 54 1HB PRO 54 5.704 9.881 13.678 440 2HB PRO 54 2HB PRO 54 6.920 8.574 13.596 441 1HG PRO 54 1HG PRO 54 5.211 9.649 11.336 442 2HG PRO 54 2HG PRO 54 6.984 9.421 11.360 443 1HD PRO 54 1HD PRO 54 5.299 7.583 10.274 444 2HD PRO 54 2HD PRO 54 6.747 7.054 11.173 445 H ARG 55 H ARG 55 2.813 7.624 11.892 446 HA ARG 55 HA ARG 55 1.010 9.295 13.592 447 1HB ARG 55 1HB ARG 55 1.192 9.025 10.567 448 2HB ARG 55 2HB ARG 55 -0.041 9.959 11.418 449 1HG ARG 55 1HG ARG 55 2.942 10.612 11.459 450 2HG ARG 55 2HG ARG 55 1.733 11.329 10.397 451 1HD ARG 55 1HD ARG 55 1.984 12.891 12.133 452 2HD ARG 55 2HD ARG 55 0.449 12.066 12.465 453 HE ARG 55 HE ARG 55 2.710 10.803 13.761 454 1HH1 ARG 55 1HH1 ARG 55 0.409 13.478 14.174 455 2HH1 ARG 55 2HH1 ARG 55 0.563 13.482 15.913 456 1HH2 ARG 55 1HH2 ARG 55 2.902 10.812 15.957 457 2HH2 ARG 55 2HH2 ARG 55 2.026 11.955 16.952 458 H GLN 56 H GLN 56 1.564 6.354 13.546 459 HA GLN 56 HA GLN 56 -0.115 5.188 14.790 460 1HB GLN 56 1HB GLN 56 -2.212 4.548 13.973 461 2HB GLN 56 2HB GLN 56 -2.121 6.263 13.682 462 1HG GLN 56 1HG GLN 56 -1.302 5.489 11.239 463 2HG GLN 56 2HG GLN 56 -1.900 3.913 11.752 464 1HE2 GLN 56 1HE2 GLN 56 -2.921 7.347 11.626 465 2HE2 GLN 56 2HE2 GLN 56 -4.583 7.026 11.156 466 H THR 57 H THR 57 -0.831 2.822 14.233 467 HA THR 57 HA THR 57 1.023 1.622 12.227 468 HB THR 57 HB THR 57 0.718 -0.444 13.509 469 HG1 THR 57 HG1 THR 57 -0.139 -0.224 15.647 470 1HG2 THR 57 1HG2 THR 57 2.177 0.143 15.401 471 2HG2 THR 57 2HG2 THR 57 2.703 0.927 13.905 472 3HG2 THR 57 3HG2 THR 57 1.840 1.869 15.136 473 H VAL 58 H VAL 58 0.131 0.399 10.683 474 HA VAL 58 HA VAL 58 -2.834 0.275 10.464 475 HB VAL 58 HB VAL 58 -0.827 1.027 8.284 476 1HG1 VAL 58 1HG1 VAL 58 -3.863 0.862 8.290 477 2HG1 VAL 58 2HG1 VAL 58 -2.891 1.568 6.985 478 3HG1 VAL 58 3HG1 VAL 58 -2.760 -0.161 7.344 479 1HG2 VAL 58 1HG2 VAL 58 -2.837 2.724 9.816 480 2HG2 VAL 58 2HG2 VAL 58 -1.065 2.919 9.791 481 3HG2 VAL 58 3HG2 VAL 58 -2.010 3.252 8.339 482 H THR 59 H THR 59 -3.598 -1.735 9.760 483 HA THR 59 HA THR 59 -1.730 -3.532 8.395 484 HB THR 59 HB THR 59 -1.466 -3.962 10.826 485 HG1 THR 59 HG1 THR 59 -1.164 -5.634 9.342 486 1HG2 THR 59 1HG2 THR 59 -4.366 -4.895 10.758 487 2HG2 THR 59 2HG2 THR 59 -3.223 -5.063 12.102 488 3HG2 THR 59 3HG2 THR 59 -3.764 -3.451 11.607 489 H ASN 60 H ASN 60 -2.647 -5.185 7.231 490 HA ASN 60 HA ASN 60 -5.486 -5.603 7.040 491 1HB ASN 60 1HB ASN 60 -5.287 -4.990 4.485 492 2HB ASN 60 2HB ASN 60 -5.740 -3.785 5.701 493 1HD2 ASN 60 1HD2 ASN 60 -2.547 -5.127 4.717 494 2HD2 ASN 60 2HD2 ASN 60 -1.816 -3.576 4.354 495 H SER 61 H SER 61 -5.972 -7.489 6.016 496 HA SER 61 HA SER 61 -3.725 -9.095 4.944 497 1HB SER 61 1HB SER 61 -4.340 -9.739 7.321 498 2HB SER 61 2HB SER 61 -5.978 -10.098 6.743 499 HG SER 61 HG SER 61 -4.589 -11.940 6.796 500 H PHE 62 H PHE 62 -4.282 -10.685 3.419 501 HA PHE 62 HA PHE 62 -6.904 -10.715 2.204 502 1HB PHE 62 1HB PHE 62 -5.880 -9.660 0.032 503 2HB PHE 62 2HB PHE 62 -6.589 -8.660 1.276 504 HD1 PHE 62 HD1 PHE 62 -5.427 -6.959 2.384 505 HD2 PHE 62 HD2 PHE 62 -3.253 -9.854 0.055 506 HE1 PHE 62 HE1 PHE 62 -3.444 -5.484 2.416 507 HE2 PHE 62 HE2 PHE 62 -1.236 -8.398 0.144 508 HZ PHE 62 HZ PHE 62 -1.367 -6.167 1.235 509 H THR 63 H THR 63 -7.056 -12.016 0.411 510 HA THR 63 HA THR 63 -4.955 -14.107 0.181 511 HB THR 63 HB THR 63 -8.003 -14.306 0.221 512 HG1 THR 63 HG1 THR 63 -7.626 -15.353 2.199 513 1HG2 THR 63 1HG2 THR 63 -7.707 -16.736 0.313 514 2HG2 THR 63 2HG2 THR 63 -7.021 -16.107 -1.188 515 3HG2 THR 63 3HG2 THR 63 -5.952 -16.558 0.161 516 H LEU 64 H LEU 64 -4.641 -14.973 -1.921 517 HA LEU 64 HA LEU 64 -5.167 -13.160 -4.070 518 1HB LEU 64 1HB LEU 64 -4.262 -16.079 -4.083 519 2HB LEU 64 2HB LEU 64 -4.185 -14.990 -5.472 520 HG LEU 64 HG LEU 64 -2.651 -14.628 -2.849 521 1HD1 LEU 64 1HD1 LEU 64 -0.685 -15.150 -4.261 522 2HD1 LEU 64 2HD1 LEU 64 -1.826 -16.502 -4.185 523 3HD1 LEU 64 3HD1 LEU 64 -1.765 -15.487 -5.632 524 1HD2 LEU 64 1HD2 LEU 64 -3.028 -12.430 -3.697 525 2HD2 LEU 64 2HD2 LEU 64 -1.432 -12.889 -4.306 526 3HD2 LEU 64 3HD2 LEU 64 -2.831 -12.961 -5.380 527 H GLY 65 H GLY 65 -6.753 -12.963 -5.482 528 1HA GLY 65 1HA GLY 65 -8.609 -13.406 -6.753 529 2HA GLY 65 2HA GLY 65 -8.323 -15.136 -6.502 530 H LYS 66 H LYS 66 -9.044 -12.378 -4.287 531 HA LYS 66 HA LYS 66 -11.645 -13.480 -3.557 532 1HB LYS 66 1HB LYS 66 -9.636 -14.756 -2.286 533 2HB LYS 66 2HB LYS 66 -9.598 -13.278 -1.336 534 1HG LYS 66 1HG LYS 66 -10.968 -14.770 -0.148 535 2HG LYS 66 2HG LYS 66 -12.108 -13.639 -0.896 536 1HD LYS 66 1HD LYS 66 -12.664 -15.300 -2.631 537 2HD LYS 66 2HD LYS 66 -11.317 -16.328 -2.128 538 1HE LYS 66 1HE LYS 66 -13.401 -17.269 -1.332 539 2HE LYS 66 2HE LYS 66 -12.400 -16.766 0.039 540 1HZ LYS 66 1HZ LYS 66 -13.743 -14.809 0.232 541 2HZ LYS 66 2HZ LYS 66 -14.645 -15.234 -1.083 542 3HZ LYS 66 3HZ LYS 66 -14.697 -16.150 0.284 543 H GLU 67 H GLU 67 -12.931 -11.890 -2.680 544 HA GLU 67 HA GLU 67 -12.118 -9.170 -2.541 545 1HB GLU 67 1HB GLU 67 -14.261 -8.760 -1.499 546 2HB GLU 67 2HB GLU 67 -14.394 -9.787 -2.922 547 1HG GLU 67 1HG GLU 67 -15.908 -10.649 -1.317 548 2HG GLU 67 2HG GLU 67 -14.580 -11.805 -1.419 549 HE2 GLU 67 HE2 GLU 67 -14.314 -11.718 2.018 550 H ALA 68 H ALA 68 -11.461 -7.918 -0.846 551 HA ALA 68 HA ALA 68 -11.206 -9.017 1.869 552 1HB ALA 68 1HB ALA 68 -8.775 -8.196 0.218 553 2HB ALA 68 2HB ALA 68 -8.781 -8.581 1.955 554 3HB ALA 68 3HB ALA 68 -9.144 -9.849 0.766 555 H ASP 69 H ASP 69 -10.809 -7.415 3.420 556 HA ASP 69 HA ASP 69 -11.341 -4.646 2.583 557 1HB ASP 69 1HB ASP 69 -11.647 -4.208 4.968 558 2HB ASP 69 2HB ASP 69 -12.754 -5.426 4.329 559 HD2 ASP 69 HD2 ASP 69 -11.615 -6.561 7.599 560 H ILE 70 H ILE 70 -9.800 -3.093 2.639 561 HA ILE 70 HA ILE 70 -7.122 -3.731 3.792 562 HB ILE 70 HB ILE 70 -7.752 -2.335 1.170 563 1HG1 ILE 70 1HG1 ILE 70 -6.489 -4.983 1.950 564 2HG1 ILE 70 2HG1 ILE 70 -7.828 -4.690 0.836 565 1HG2 ILE 70 1HG2 ILE 70 -5.365 -1.950 0.908 566 2HG2 ILE 70 2HG2 ILE 70 -5.919 -1.183 2.373 567 3HG2 ILE 70 3HG2 ILE 70 -5.037 -2.726 2.473 568 1HD1 ILE 70 1HD1 ILE 70 -5.907 -5.288 -0.466 569 2HD1 ILE 70 2HD1 ILE 70 -6.146 -3.541 -0.700 570 3HD1 ILE 70 3HD1 ILE 70 -4.866 -4.140 0.379 571 H THR 71 H THR 71 -6.050 -1.994 4.743 572 HA THR 71 HA THR 71 -7.846 0.226 5.643 573 HB THR 71 HB THR 71 -5.513 -1.090 7.092 574 HG1 THR 71 HG1 THR 71 -6.921 -2.327 8.085 575 1HG2 THR 71 1HG2 THR 71 -6.044 1.231 7.829 576 2HG2 THR 71 2HG2 THR 71 -7.748 0.789 8.012 577 3HG2 THR 71 3HG2 THR 71 -6.523 0.054 9.068 578 H THR 72 H THR 72 -7.221 1.818 4.104 579 HA THR 72 HA THR 72 -4.490 2.855 4.440 580 HB THR 72 HB THR 72 -5.407 2.306 1.596 581 HG1 THR 72 HG1 THR 72 -4.049 0.508 1.634 582 1HG2 THR 72 1HG2 THR 72 -3.529 3.970 2.032 583 2HG2 THR 72 2HG2 THR 72 -2.650 2.673 2.862 584 3HG2 THR 72 3HG2 THR 72 -3.004 2.541 1.127 585 H MET 73 H MET 73 -6.771 3.950 5.415 586 HA MET 73 HA MET 73 -6.800 6.511 3.961 587 1HB MET 73 1HB MET 73 -9.288 4.868 4.581 588 2HB MET 73 2HB MET 73 -9.343 6.589 4.187 589 1HG MET 73 1HG MET 73 -8.196 6.060 2.010 590 2HG MET 73 2HG MET 73 -8.448 4.344 2.366 591 1HE MET 73 1HE MET 73 -12.417 4.218 2.489 592 2HE MET 73 2HE MET 73 -10.915 3.375 2.941 593 3HE MET 73 3HE MET 73 -11.474 4.775 3.878 594 H ASP 74 H ASP 74 -5.337 6.313 6.111 595 HA ASP 74 HA ASP 74 -4.988 6.886 8.271 596 1HB ASP 74 1HB ASP 74 -5.909 9.014 7.348 597 2HB ASP 74 2HB ASP 74 -7.502 8.601 7.991 598 HD2 ASP 74 HD2 ASP 74 -5.696 10.815 10.315 599 H GLY 75 H GLY 75 -5.521 4.558 8.523 600 1HA GLY 75 1HA GLY 75 -6.396 2.810 9.665 601 2HA GLY 75 2HA GLY 75 -6.850 3.996 10.894 602 H LYS 76 H LYS 76 -8.092 3.644 7.532 603 HA LYS 76 HA LYS 76 -10.769 2.896 8.571 604 1HB LYS 76 1HB LYS 76 -10.540 5.401 8.388 605 2HB LYS 76 2HB LYS 76 -10.245 5.163 6.648 606 1HG LYS 76 1HG LYS 76 -12.450 4.260 6.311 607 2HG LYS 76 2HG LYS 76 -12.752 4.223 8.057 608 1HD LYS 76 1HD LYS 76 -13.863 6.110 6.958 609 2HD LYS 76 2HD LYS 76 -12.731 6.650 8.201 610 1HE LYS 76 1HE LYS 76 -11.875 6.535 5.282 611 2HE LYS 76 2HE LYS 76 -12.865 7.876 5.871 612 1HZ LYS 76 1HZ LYS 76 -10.519 8.330 5.916 613 2HZ LYS 76 2HZ LYS 76 -11.213 8.469 7.402 614 3HZ LYS 76 3HZ LYS 76 -10.270 7.166 7.036 615 H LYS 77 H LYS 77 -11.993 1.741 7.102 616 HA LYS 77 HA LYS 77 -10.206 0.222 5.380 617 1HB LYS 77 1HB LYS 77 -12.912 -0.359 6.625 618 2HB LYS 77 2HB LYS 77 -12.108 -1.445 5.485 619 1HG LYS 77 1HG LYS 77 -11.692 -2.217 7.698 620 2HG LYS 77 2HG LYS 77 -10.173 -1.689 6.963 621 1HD LYS 77 1HD LYS 77 -10.162 0.338 8.316 622 2HD LYS 77 2HD LYS 77 -11.804 0.001 8.916 623 1HE LYS 77 1HE LYS 77 -10.962 -1.995 10.083 624 2HE LYS 77 2HE LYS 77 -9.345 -1.743 9.398 625 1HZ LYS 77 1HZ LYS 77 -9.181 0.286 10.600 626 2HZ LYS 77 2HZ LYS 77 -10.718 0.147 11.176 627 3HZ LYS 77 3HZ LYS 77 -9.563 -0.929 11.646 628 H LEU 78 H LEU 78 -10.510 -0.304 3.334 629 HA LEU 78 HA LEU 78 -12.871 0.590 1.763 630 1HB LEU 78 1HB LEU 78 -11.340 0.741 -0.175 631 2HB LEU 78 2HB LEU 78 -10.961 1.935 1.048 632 HG LEU 78 HG LEU 78 -9.476 -0.638 1.384 633 1HD1 LEU 78 1HD1 LEU 78 -7.917 -0.213 -0.447 634 2HD1 LEU 78 2HD1 LEU 78 -9.545 -0.565 -1.057 635 3HD1 LEU 78 3HD1 LEU 78 -8.965 1.115 -1.008 636 1HD2 LEU 78 1HD2 LEU 78 -8.529 2.256 1.161 637 2HD2 LEU 78 2HD2 LEU 78 -8.986 1.471 2.688 638 3HD2 LEU 78 3HD2 LEU 78 -7.595 0.873 1.768 639 H LYS 79 H LYS 79 -12.527 -0.958 -0.445 640 HA LYS 79 HA LYS 79 -11.893 -3.716 0.397 641 1HB LYS 79 1HB LYS 79 -14.034 -4.531 -0.541 642 2HB LYS 79 2HB LYS 79 -14.237 -3.564 0.928 643 1HG LYS 79 1HG LYS 79 -14.913 -1.606 -0.398 644 2HG LYS 79 2HG LYS 79 -14.628 -2.497 -1.907 645 1HD LYS 79 1HD LYS 79 -16.370 -4.121 -1.311 646 2HD LYS 79 2HD LYS 79 -16.651 -3.278 0.231 647 1HE LYS 79 1HE LYS 79 -17.344 -1.244 -0.965 648 2HE LYS 79 2HE LYS 79 -16.964 -1.997 -2.526 649 1HZ LYS 79 1HZ LYS 79 -19.288 -2.085 -2.033 650 2HZ LYS 79 2HZ LYS 79 -18.660 -3.606 -2.109 651 3HZ LYS 79 3HZ LYS 79 -19.015 -2.933 -0.646 652 H CYS 80 H CYS 80 -11.306 -5.083 -1.252 653 HA CYS 80 HA CYS 80 -11.589 -4.463 -4.038 654 1HB CYS 80 1HB CYS 80 -9.312 -3.969 -4.605 655 2HB CYS 80 2HB CYS 80 -9.757 -2.825 -3.359 656 HG CYS 80 HG CYS 80 -8.234 -5.720 -2.872 657 H THR 81 H THR 81 -10.426 -6.218 -5.378 658 HA THR 81 HA THR 81 -10.347 -8.746 -3.777 659 HB THR 81 HB THR 81 -12.407 -8.569 -5.000 660 HG1 THR 81 HG1 THR 81 -10.568 -10.385 -6.156 661 1HG2 THR 81 1HG2 THR 81 -11.763 -7.065 -6.826 662 2HG2 THR 81 2HG2 THR 81 -10.723 -8.316 -7.538 663 3HG2 THR 81 3HG2 THR 81 -12.471 -8.573 -7.442 664 H VAL 82 H VAL 82 -8.089 -7.859 -3.677 665 HA VAL 82 HA VAL 82 -6.341 -7.869 -5.804 666 HB VAL 82 HB VAL 82 -5.822 -6.974 -3.601 667 1HG1 VAL 82 1HG1 VAL 82 -6.736 -8.770 -2.161 668 2HG1 VAL 82 2HG1 VAL 82 -5.421 -9.852 -2.678 669 3HG1 VAL 82 3HG1 VAL 82 -5.054 -8.372 -1.774 670 1HG2 VAL 82 1HG2 VAL 82 -3.756 -9.065 -4.401 671 2HG2 VAL 82 2HG2 VAL 82 -4.002 -7.509 -5.222 672 3HG2 VAL 82 3HG2 VAL 82 -3.480 -7.548 -3.529 673 H HIS 83 H HIS 83 -5.079 -9.222 -6.933 674 HA HIS 83 HA HIS 83 -5.064 -12.106 -6.376 675 1HB HIS 83 1HB HIS 83 -5.908 -12.550 -8.685 676 2HB HIS 83 2HB HIS 83 -7.116 -11.859 -7.603 677 HD1 HIS 83 HD1 HIS 83 -8.056 -9.508 -8.142 678 HD2 HIS 83 HD2 HIS 83 -4.998 -10.819 -10.744 679 HE1 HIS 83 HE1 HIS 83 -8.025 -7.914 -10.146 680 HE2 HIS 83 HE2 HIS 83 -6.161 -8.694 -11.728 681 H LEU 84 H LEU 84 -3.581 -13.236 -7.647 682 HA LEU 84 HA LEU 84 -1.175 -11.702 -8.269 683 1HB LEU 84 1HB LEU 84 -1.009 -13.669 -6.887 684 2HB LEU 84 2HB LEU 84 -1.816 -14.660 -8.116 685 HG LEU 84 HG LEU 84 0.123 -14.414 -9.624 686 1HD1 LEU 84 1HD1 LEU 84 0.997 -12.236 -9.052 687 2HD1 LEU 84 2HD1 LEU 84 1.215 -12.705 -7.351 688 3HD1 LEU 84 3HD1 LEU 84 2.242 -13.411 -8.612 689 1HD2 LEU 84 1HD2 LEU 84 0.914 -15.248 -6.801 690 2HD2 LEU 84 2HD2 LEU 84 0.035 -16.260 -7.968 691 3HD2 LEU 84 3HD2 LEU 84 1.698 -15.758 -8.313 692 H ALA 85 H ALA 85 -0.635 -11.142 -10.242 693 HA ALA 85 HA ALA 85 -2.041 -12.229 -12.631 694 1HB ALA 85 1HB ALA 85 -1.016 -10.325 -13.797 695 2HB ALA 85 2HB ALA 85 -1.981 -9.818 -12.396 696 3HB ALA 85 3HB ALA 85 -0.210 -9.820 -12.293 697 H ASN 86 H ASN 86 1.347 -11.244 -11.896 698 HA ASN 86 HA ASN 86 2.449 -13.846 -12.431 699 1HB ASN 86 1HB ASN 86 1.984 -13.252 -14.769 700 2HB ASN 86 2HB ASN 86 2.770 -11.684 -14.559 701 1HD2 ASN 86 1HD2 ASN 86 3.512 -15.193 -13.963 702 2HD2 ASN 86 2HD2 ASN 86 5.124 -15.123 -14.643 703 H GLY 87 H GLY 87 3.347 -13.453 -10.407 704 1HA GLY 87 1HA GLY 87 4.858 -12.740 -8.872 705 2HA GLY 87 2HA GLY 87 5.848 -12.129 -10.208 706 H LYS 88 H LYS 88 2.545 -10.945 -9.760 707 HA LYS 88 HA LYS 88 3.272 -8.679 -8.127 708 1HB LYS 88 1HB LYS 88 2.831 -6.942 -9.729 709 2HB LYS 88 2HB LYS 88 4.141 -7.962 -10.342 710 1HG LYS 88 1HG LYS 88 2.351 -9.201 -11.699 711 2HG LYS 88 2HG LYS 88 1.240 -7.890 -11.261 712 1HD LYS 88 1HD LYS 88 3.893 -7.562 -12.730 713 2HD LYS 88 2HD LYS 88 2.296 -7.619 -13.492 714 1HE LYS 88 1HE LYS 88 1.612 -5.585 -12.228 715 2HE LYS 88 2HE LYS 88 3.234 -5.489 -11.518 716 1HZ LYS 88 1HZ LYS 88 3.002 -4.071 -13.411 717 2HZ LYS 88 2HZ LYS 88 4.131 -5.236 -13.699 718 3HZ LYS 88 3HZ LYS 88 2.635 -5.349 -14.383 719 H LEU 89 H LEU 89 1.520 -7.808 -7.157 720 HA LEU 89 HA LEU 89 -1.055 -9.171 -7.470 721 1HB LEU 89 1HB LEU 89 -0.256 -6.863 -5.665 722 2HB LEU 89 2HB LEU 89 -1.711 -7.854 -5.545 723 HG LEU 89 HG LEU 89 1.160 -8.750 -5.062 724 1HD1 LEU 89 1HD1 LEU 89 0.080 -7.376 -3.287 725 2HD1 LEU 89 2HD1 LEU 89 -1.227 -8.571 -3.179 726 3HD1 LEU 89 3HD1 LEU 89 0.433 -9.035 -2.757 727 1HD2 LEU 89 1HD2 LEU 89 -0.073 -10.639 -6.074 728 2HD2 LEU 89 2HD2 LEU 89 0.169 -10.908 -4.352 729 3HD2 LEU 89 3HD2 LEU 89 -1.422 -10.377 -4.941 730 H VAL 90 H VAL 90 -2.866 -8.268 -8.327 731 HA VAL 90 HA VAL 90 -2.801 -5.492 -9.402 732 HB VAL 90 HB VAL 90 -3.678 -8.026 -10.866 733 1HG1 VAL 90 1HG1 VAL 90 -3.839 -5.097 -11.708 734 2HG1 VAL 90 2HG1 VAL 90 -4.160 -6.487 -12.764 735 3HG1 VAL 90 3HG1 VAL 90 -5.218 -6.174 -11.386 736 1HG2 VAL 90 1HG2 VAL 90 -1.945 -7.370 -12.522 737 2HG2 VAL 90 2HG2 VAL 90 -1.438 -6.044 -11.464 738 3HG2 VAL 90 3HG2 VAL 90 -1.234 -7.731 -10.946 739 H THR 91 H THR 91 -4.735 -4.429 -9.118 740 HA THR 91 HA THR 91 -7.170 -5.899 -8.636 741 HB THR 91 HB THR 91 -6.661 -3.866 -6.478 742 HG1 THR 91 HG1 THR 91 -4.782 -5.095 -6.348 743 1HG2 THR 91 1HG2 THR 91 -8.827 -4.939 -6.591 744 2HG2 THR 91 2HG2 THR 91 -8.091 -6.541 -6.720 745 3HG2 THR 91 3HG2 THR 91 -7.953 -5.636 -5.204 746 H LYS 92 H LYS 92 -9.070 -4.518 -8.652 747 HA LYS 92 HA LYS 92 -8.695 -1.702 -9.440 748 1HB LYS 92 1HB LYS 92 -10.157 -3.794 -11.118 749 2HB LYS 92 2HB LYS 92 -10.333 -2.041 -11.280 750 1HG LYS 92 1HG LYS 92 -7.938 -1.831 -11.880 751 2HG LYS 92 2HG LYS 92 -7.734 -3.574 -11.686 752 1HD LYS 92 1HD LYS 92 -7.955 -3.010 -14.047 753 2HD LYS 92 2HD LYS 92 -9.259 -4.063 -13.496 754 1HE LYS 92 1HE LYS 92 -10.065 -2.334 -15.046 755 2HE LYS 92 2HE LYS 92 -10.842 -2.186 -13.470 756 1HZ LYS 92 1HZ LYS 92 -9.289 -0.415 -12.968 757 2HZ LYS 92 2HZ LYS 92 -8.601 -0.560 -14.460 758 3HZ LYS 92 3HZ LYS 92 -10.169 -0.079 -14.317 759 H SER 93 H SER 93 -10.322 -0.462 -8.676 760 HA SER 93 HA SER 93 -13.018 -1.486 -8.525 761 1HB SER 93 1HB SER 93 -12.299 -2.064 -6.253 762 2HB SER 93 2HB SER 93 -11.680 -0.424 -5.987 763 HG SER 93 HG SER 93 -13.791 -0.803 -5.133 764 H GLU 94 H GLU 94 -14.498 0.427 -8.032 765 HA GLU 94 HA GLU 94 -13.616 2.679 -9.723 766 1HB GLU 94 1HB GLU 94 -16.320 2.027 -8.491 767 2HB GLU 94 2HB GLU 94 -15.989 3.266 -9.706 768 1HG GLU 94 1HG GLU 94 -15.668 0.248 -10.093 769 2HG GLU 94 2HG GLU 94 -16.982 1.246 -10.712 770 HE2 GLU 94 HE2 GLU 94 -15.091 2.635 -13.325 771 H LYS 95 H LYS 95 -12.979 2.112 -6.677 772 HA LYS 95 HA LYS 95 -13.325 4.923 -5.775 773 1HB LYS 95 1HB LYS 95 -14.522 2.656 -4.635 774 2HB LYS 95 2HB LYS 95 -13.081 2.874 -3.645 775 1HG LYS 95 1HG LYS 95 -15.242 4.942 -4.229 776 2HG LYS 95 2HG LYS 95 -15.058 4.007 -2.737 777 1HD LYS 95 1HD LYS 95 -12.793 5.063 -2.399 778 2HD LYS 95 2HD LYS 95 -13.121 6.128 -3.775 779 1HE LYS 95 1HE LYS 95 -14.758 5.953 -1.203 780 2HE LYS 95 2HE LYS 95 -13.638 7.249 -1.651 781 1HZ LYS 95 1HZ LYS 95 -15.869 7.868 -2.105 782 2HZ LYS 95 2HZ LYS 95 -15.042 7.734 -3.525 783 3HZ LYS 95 3HZ LYS 95 -16.108 6.558 -3.073 784 H PHE 96 H PHE 96 -11.285 2.031 -6.110 785 HA PHE 96 HA PHE 96 -8.890 3.540 -5.441 786 1HB PHE 96 1HB PHE 96 -9.982 2.719 -3.271 787 2HB PHE 96 2HB PHE 96 -9.731 1.082 -3.838 788 HD1 PHE 96 HD1 PHE 96 -7.433 0.106 -3.845 789 HD2 PHE 96 HD2 PHE 96 -8.215 4.079 -2.384 790 HE1 PHE 96 HE1 PHE 96 -5.442 -0.026 -2.356 791 HE2 PHE 96 HE2 PHE 96 -6.215 3.949 -0.930 792 HZ PHE 96 HZ PHE 96 -4.826 1.887 -0.920 793 H SER 97 H SER 97 -6.937 2.295 -5.982 794 HA SER 97 HA SER 97 -7.338 -0.378 -7.172 795 1HB SER 97 1HB SER 97 -7.303 1.129 -9.137 796 2HB SER 97 2HB SER 97 -5.739 1.782 -8.597 797 HG SER 97 HG SER 97 -6.251 -0.933 -9.238 798 H HIS 98 H HIS 98 -5.463 -1.656 -7.054 799 HA HIS 98 HA HIS 98 -3.323 -0.817 -5.170 800 1HB HIS 98 1HB HIS 98 -5.311 -1.610 -3.891 801 2HB HIS 98 2HB HIS 98 -5.298 -3.114 -4.780 802 HD1 HIS 98 HD1 HIS 98 -3.394 -1.223 -2.097 803 HD2 HIS 98 HD2 HIS 98 -3.513 -5.022 -3.931 804 HE1 HIS 98 HE1 HIS 98 -2.020 -2.815 -0.637 805 HE2 HIS 98 HE2 HIS 98 -2.068 -5.122 -1.751 806 H GLU 99 H GLU 99 -1.769 -1.099 -6.819 807 HA GLU 99 HA GLU 99 -1.490 -3.840 -7.952 808 1HB GLU 99 1HB GLU 99 -2.508 -2.339 -9.594 809 2HB GLU 99 2HB GLU 99 -1.188 -1.172 -9.387 810 1HG GLU 99 1HG GLU 99 0.438 -2.790 -10.259 811 2HG GLU 99 2HG GLU 99 -0.804 -4.052 -10.311 812 HE2 GLU 99 HE2 GLU 99 -0.624 -2.981 -13.708 813 H GLN 100 H GLN 100 0.491 -4.676 -7.486 814 HA GLN 100 HA GLN 100 2.814 -2.953 -7.149 815 1HB GLN 100 1HB GLN 100 3.158 -3.587 -4.745 816 2HB GLN 100 2HB GLN 100 1.874 -2.446 -5.106 817 1HG GLN 100 1HG GLN 100 0.323 -4.647 -5.062 818 2HG GLN 100 2HG GLN 100 1.670 -5.295 -4.126 819 1HE2 GLN 100 1HE2 GLN 100 -0.099 -2.153 -4.418 820 2HE2 GLN 100 2HE2 GLN 100 -0.406 -1.954 -2.706 821 H GLU 101 H GLU 101 4.709 -3.949 -7.216 822 HA GLU 101 HA GLU 101 4.766 -6.850 -7.850 823 1HB GLU 101 1HB GLU 101 4.893 -5.371 -9.788 824 2HB GLU 101 2HB GLU 101 6.220 -4.457 -9.088 825 1HG GLU 101 1HG GLU 101 6.444 -7.458 -9.580 826 2HG GLU 101 2HG GLU 101 6.656 -6.302 -10.896 827 HE2 GLU 101 HE2 GLU 101 9.988 -6.938 -9.816 828 H VAL 102 H VAL 102 6.369 -8.014 -6.886 829 HA VAL 102 HA VAL 102 8.420 -6.662 -5.197 830 HB VAL 102 HB VAL 102 6.652 -9.007 -4.412 831 1HG1 VAL 102 1HG1 VAL 102 7.680 -8.810 -2.187 832 2HG1 VAL 102 2HG1 VAL 102 8.906 -9.164 -3.409 833 3HG1 VAL 102 3HG1 VAL 102 8.724 -7.507 -2.786 834 1HG2 VAL 102 1HG2 VAL 102 6.654 -6.125 -3.395 835 2HG2 VAL 102 2HG2 VAL 102 5.327 -6.933 -4.258 836 3HG2 VAL 102 3HG2 VAL 102 5.778 -7.451 -2.629 837 H LYS 103 H LYS 103 10.426 -7.619 -5.474 838 HA LYS 103 HA LYS 103 10.652 -10.346 -6.354 839 1HB LYS 103 1HB LYS 103 10.160 -8.635 -8.408 840 2HB LYS 103 2HB LYS 103 11.906 -8.455 -8.334 841 1HG LYS 103 1HG LYS 103 10.310 -11.042 -8.686 842 2HG LYS 103 2HG LYS 103 11.170 -10.147 -9.947 843 1HD LYS 103 1HD LYS 103 13.316 -10.530 -8.615 844 2HD LYS 103 2HD LYS 103 12.381 -11.660 -7.606 845 1HE LYS 103 1HE LYS 103 11.787 -12.984 -9.610 846 2HE LYS 103 2HE LYS 103 12.732 -11.877 -10.625 847 1HZ LYS 103 1HZ LYS 103 13.963 -13.823 -10.066 848 2HZ LYS 103 2HZ LYS 103 14.676 -12.501 -9.391 849 3HZ LYS 103 3HZ LYS 103 13.801 -13.537 -8.451 850 H GLY 104 H GLY 104 12.457 -11.161 -5.490 851 1HA GLY 104 1HA GLY 104 14.588 -11.408 -4.773 852 2HA GLY 104 2HA GLY 104 15.025 -9.952 -5.675 853 H ASN 105 H ASN 105 15.097 -7.968 -4.602 854 HA ASN 105 HA ASN 105 14.538 -7.862 -1.688 855 1HB ASN 105 1HB ASN 105 17.178 -7.005 -2.950 856 2HB ASN 105 2HB ASN 105 16.749 -6.918 -1.242 857 1HD2 ASN 105 1HD2 ASN 105 17.776 -9.042 -3.867 858 2HD2 ASN 105 2HD2 ASN 105 18.120 -10.430 -2.856 859 H GLU 106 H GLU 106 13.467 -6.676 -4.391 860 HA GLU 106 HA GLU 106 13.321 -3.887 -3.433 861 1HB GLU 106 1HB GLU 106 15.352 -4.109 -4.854 862 2HB GLU 106 2HB GLU 106 14.347 -4.614 -6.211 863 1HG GLU 106 1HG GLU 106 14.086 -1.966 -4.690 864 2HG GLU 106 2HG GLU 106 15.072 -2.178 -6.142 865 HE2 GLU 106 HE2 GLU 106 11.988 -2.860 -8.071 866 H MET 107 H MET 107 11.297 -3.087 -3.720 867 HA MET 107 HA MET 107 9.478 -4.453 -5.631 868 1HB MET 107 1HB MET 107 7.707 -4.183 -4.078 869 2HB MET 107 2HB MET 107 8.978 -5.122 -3.295 870 1HG MET 107 1HG MET 107 9.501 -3.294 -1.855 871 2HG MET 107 2HG MET 107 8.664 -2.129 -2.882 872 1HE MET 107 1HE MET 107 6.575 -4.876 0.133 873 2HE MET 107 2HE MET 107 7.855 -5.458 -0.961 874 3HE MET 107 3HE MET 107 8.221 -4.254 0.307 875 H VAL 108 H VAL 108 7.783 -3.213 -6.445 876 HA VAL 108 HA VAL 108 7.974 -0.246 -6.252 877 HB VAL 108 HB VAL 108 7.386 -1.901 -8.753 878 1HG1 VAL 108 1HG1 VAL 108 7.405 1.114 -8.292 879 2HG1 VAL 108 2HG1 VAL 108 7.319 0.336 -9.882 880 3HG1 VAL 108 3HG1 VAL 108 6.005 0.112 -8.724 881 1HG2 VAL 108 1HG2 VAL 108 9.798 -1.870 -8.366 882 2HG2 VAL 108 2HG2 VAL 108 9.397 -0.791 -9.705 883 3HG2 VAL 108 3HG2 VAL 108 9.766 -0.114 -8.106 884 H GLU 109 H GLU 109 5.986 0.610 -5.678 885 HA GLU 109 HA GLU 109 3.589 -1.105 -5.969 886 1HB GLU 109 1HB GLU 109 2.845 -0.600 -3.731 887 2HB GLU 109 2HB GLU 109 4.407 -1.433 -3.689 888 1HG GLU 109 1HG GLU 109 5.540 0.749 -3.312 889 2HG GLU 109 2HG GLU 109 3.945 1.534 -3.323 890 HE2 GLU 109 HE2 GLU 109 2.978 0.019 -0.222 891 H THR 110 H THR 110 1.740 -0.144 -6.429 892 HA THR 110 HA THR 110 1.664 2.801 -6.842 893 HB THR 110 HB THR 110 0.842 0.571 -8.754 894 HG1 THR 110 HG1 THR 110 2.379 1.562 -10.058 895 1HG2 THR 110 1HG2 THR 110 0.194 2.444 -10.282 896 2HG2 THR 110 2HG2 THR 110 -0.865 2.295 -8.873 897 3HG2 THR 110 3HG2 THR 110 0.361 3.575 -8.921 898 H ILE 111 H ILE 111 -0.120 3.699 -6.008 899 HA ILE 111 HA ILE 111 -2.519 2.010 -5.448 900 HB ILE 111 HB ILE 111 -1.347 4.216 -3.709 901 1HG1 ILE 111 1HG1 ILE 111 -0.094 2.165 -3.366 902 2HG1 ILE 111 2HG1 ILE 111 -1.062 2.597 -1.964 903 1HG2 ILE 111 1HG2 ILE 111 -3.692 4.458 -3.539 904 2HG2 ILE 111 2HG2 ILE 111 -3.953 2.703 -3.505 905 3HG2 ILE 111 3HG2 ILE 111 -3.209 3.536 -2.119 906 1HD1 ILE 111 1HD1 ILE 111 -1.163 0.215 -2.274 907 2HD1 ILE 111 2HD1 ILE 111 -2.767 0.875 -2.641 908 3HD1 ILE 111 3HD1 ILE 111 -1.677 0.382 -3.957 909 H THR 112 H THR 112 -4.492 3.113 -5.750 910 HA THR 112 HA THR 112 -4.366 5.972 -6.457 911 HB THR 112 HB THR 112 -5.853 3.917 -8.132 912 HG1 THR 112 HG1 THR 112 -3.594 4.367 -8.578 913 1HG2 THR 112 1HG2 THR 112 -6.639 5.812 -9.498 914 2HG2 THR 112 2HG2 THR 112 -7.325 5.858 -7.871 915 3HG2 THR 112 3HG2 THR 112 -5.990 6.949 -8.307 916 H PHE 113 H PHE 113 -6.083 7.094 -5.727 917 HA PHE 113 HA PHE 113 -8.356 5.703 -4.408 918 1HB PHE 113 1HB PHE 113 -6.942 6.362 -2.573 919 2HB PHE 113 2HB PHE 113 -6.618 7.930 -3.298 920 HD1 PHE 113 HD1 PHE 113 -7.923 9.804 -2.678 921 HD2 PHE 113 HD2 PHE 113 -9.514 5.846 -2.035 922 HE1 PHE 113 HE1 PHE 113 -9.781 10.759 -1.348 923 HE2 PHE 113 HE2 PHE 113 -11.368 6.806 -0.721 924 HZ PHE 113 HZ PHE 113 -11.494 9.262 -0.344 925 H GLY 114 H GLY 114 -9.862 6.195 -5.843 926 1HA GLY 114 1HA GLY 114 -10.223 7.420 -7.998 927 2HA GLY 114 2HA GLY 114 -11.479 7.628 -6.781 928 H GLY 115 H GLY 115 -8.775 9.155 -8.435 929 1HA GLY 115 1HA GLY 115 -9.379 11.615 -8.943 930 2HA GLY 115 2HA GLY 115 -9.338 11.804 -7.182 931 H VAL 116 H VAL 116 -7.214 10.148 -6.470 932 HA VAL 116 HA VAL 116 -4.879 11.599 -7.648 933 HB VAL 116 HB VAL 116 -5.323 10.780 -4.750 934 1HG1 VAL 116 1HG1 VAL 116 -2.936 10.935 -5.392 935 2HG1 VAL 116 2HG1 VAL 116 -3.219 12.543 -6.092 936 3HG1 VAL 116 3HG1 VAL 116 -3.383 12.282 -4.346 937 1HG2 VAL 116 1HG2 VAL 116 -6.911 12.579 -5.299 938 2HG2 VAL 116 2HG2 VAL 116 -5.603 13.206 -4.297 939 3HG2 VAL 116 3HG2 VAL 116 -5.606 13.528 -6.045 940 H THR 117 H THR 117 -3.096 10.403 -8.121 941 HA THR 117 HA THR 117 -3.109 7.470 -7.553 942 HB THR 117 HB THR 117 -2.247 8.993 -10.034 943 HG1 THR 117 HG1 THR 117 -4.094 6.876 -9.629 944 1HG2 THR 117 1HG2 THR 117 -0.565 7.273 -9.678 945 2HG2 THR 117 2HG2 THR 117 -1.809 6.064 -9.286 946 3HG2 THR 117 3HG2 THR 117 -1.678 6.714 -10.935 947 H LEU 118 H LEU 118 -1.351 6.648 -6.680 948 HA LEU 118 HA LEU 118 0.877 8.427 -5.866 949 1HB LEU 118 1HB LEU 118 -0.308 5.996 -4.483 950 2HB LEU 118 2HB LEU 118 0.982 7.029 -3.883 951 HG LEU 118 HG LEU 118 -0.651 8.878 -3.545 952 1HD1 LEU 118 1HD1 LEU 118 -2.659 6.811 -4.551 953 2HD1 LEU 118 2HD1 LEU 118 -3.118 8.115 -3.448 954 3HD1 LEU 118 3HD1 LEU 118 -2.496 8.516 -5.040 955 1HD2 LEU 118 1HD2 LEU 118 -1.514 6.227 -2.297 956 2HD2 LEU 118 2HD2 LEU 118 -0.045 7.097 -1.831 957 3HD2 LEU 118 3HD2 LEU 118 -1.624 7.845 -1.588 958 H ILE 119 H ILE 119 2.995 7.581 -6.134 959 HA ILE 119 HA ILE 119 3.266 4.681 -6.630 960 HB ILE 119 HB ILE 119 4.792 4.959 -8.429 961 1HG1 ILE 119 1HG1 ILE 119 4.568 7.349 -9.648 962 2HG1 ILE 119 2HG1 ILE 119 4.446 7.921 -7.984 963 1HG2 ILE 119 1HG2 ILE 119 2.407 4.627 -8.904 964 2HG2 ILE 119 2HG2 ILE 119 2.198 6.383 -9.106 965 3HG2 ILE 119 3HG2 ILE 119 3.247 5.474 -10.205 966 1HD1 ILE 119 1HD1 ILE 119 6.638 6.853 -7.483 967 2HD1 ILE 119 2HD1 ILE 119 6.648 6.110 -9.095 968 3HD1 ILE 119 3HD1 ILE 119 6.781 7.867 -8.932 969 H ARG 120 H ARG 120 5.069 3.753 -5.736 970 HA ARG 120 HA ARG 120 7.249 5.306 -4.708 971 1HB ARG 120 1HB ARG 120 6.829 4.864 -2.289 972 2HB ARG 120 2HB ARG 120 5.614 5.929 -2.998 973 1HG ARG 120 1HG ARG 120 4.208 3.760 -3.332 974 2HG ARG 120 2HG ARG 120 5.345 3.038 -2.172 975 1HD ARG 120 1HD ARG 120 3.590 5.501 -1.728 976 2HD ARG 120 2HD ARG 120 3.234 3.874 -1.173 977 HE ARG 120 HE ARG 120 5.024 3.883 0.343 978 1HH1 ARG 120 1HH1 ARG 120 4.566 7.110 -1.105 979 2HH1 ARG 120 2HH1 ARG 120 5.172 7.954 0.294 980 1HH2 ARG 120 1HH2 ARG 120 5.746 5.039 2.193 981 2HH2 ARG 120 2HH2 ARG 120 5.874 6.780 2.147 982 H ARG 121 H ARG 121 8.802 3.951 -3.528 983 HA ARG 121 HA ARG 121 8.676 1.084 -4.318 984 1HB ARG 121 1HB ARG 121 11.049 2.927 -4.822 985 2HB ARG 121 2HB ARG 121 10.919 1.198 -5.159 986 1HG ARG 121 1HG ARG 121 10.588 1.986 -7.240 987 2HG ARG 121 2HG ARG 121 8.902 1.913 -6.703 988 1HD ARG 121 1HD ARG 121 8.985 4.375 -6.253 989 2HD ARG 121 2HD ARG 121 10.709 4.370 -6.682 990 HE ARG 121 HE ARG 121 9.179 3.269 -8.820 991 1HH1 ARG 121 1HH1 ARG 121 9.803 6.389 -7.248 992 2HH1 ARG 121 2HH1 ARG 121 9.683 7.305 -8.729 993 1HH2 ARG 121 1HH2 ARG 121 9.047 4.477 -10.761 994 2HH2 ARG 121 2HH2 ARG 121 9.243 6.210 -10.737 995 H SER 122 H SER 122 9.813 -0.282 -3.010 996 HA SER 122 HA SER 122 11.181 0.828 -0.623 997 1HB SER 122 1HB SER 122 9.180 -1.449 -0.466 998 2HB SER 122 2HB SER 122 9.964 -0.606 0.869 999 HG SER 122 HG SER 122 7.738 0.027 0.337 1000 H LYS 123 H LYS 123 12.600 -0.679 0.392 1001 HA LYS 123 HA LYS 123 13.645 -2.813 -1.420 1002 1HB LYS 123 1HB LYS 123 14.986 -0.733 -1.527 1003 2HB LYS 123 2HB LYS 123 15.191 -0.778 0.236 1004 1HG LYS 123 1HG LYS 123 16.353 -2.970 0.014 1005 2HG LYS 123 2HG LYS 123 16.147 -2.891 -1.750 1006 1HD LYS 123 1HD LYS 123 17.488 -0.846 -1.854 1007 2HD LYS 123 2HD LYS 123 17.674 -0.835 -0.091 1008 1HE LYS 123 1HE LYS 123 18.646 -3.076 -1.928 1009 2HE LYS 123 2HE LYS 123 19.661 -1.761 -1.313 1010 1HZ LYS 123 1HZ LYS 123 19.862 -3.733 0.001 1011 2HZ LYS 123 2HZ LYS 123 19.220 -2.508 0.898 1012 3HZ LYS 123 3HZ LYS 123 18.254 -3.726 0.355 1013 H ARG 124 H ARG 124 14.314 -4.695 -0.392 1014 HA ARG 124 HA ARG 124 13.141 -5.314 2.109 1015 1HB ARG 124 1HB ARG 124 13.515 -6.920 0.277 1016 2HB ARG 124 2HB ARG 124 15.267 -6.774 0.511 1017 1HG ARG 124 1HG ARG 124 15.057 -7.649 2.796 1018 2HG ARG 124 2HG ARG 124 13.293 -7.759 2.613 1019 1HD ARG 124 1HD ARG 124 15.294 -9.216 0.850 1020 2HD ARG 124 2HD ARG 124 14.603 -9.909 2.325 1021 HE ARG 124 HE ARG 124 12.461 -9.031 0.707 1022 1HH1 ARG 124 1HH1 ARG 124 15.042 -11.463 0.603 1023 2HH1 ARG 124 2HH1 ARG 124 14.074 -12.647 -0.237 1024 1HH2 ARG 124 1HH2 ARG 124 11.181 -10.624 -0.371 1025 2HH2 ARG 124 2HH2 ARG 124 11.880 -12.159 -0.807 1026 H VAL 125 H VAL 125 14.060 -5.547 4.141 1027 HA VAL 125 HA VAL 125 16.934 -4.876 4.543 1028 HB VAL 125 HB VAL 125 14.576 -3.923 6.231 1029 1HG1 VAL 125 1HG1 VAL 125 17.583 -3.514 6.556 1030 2HG1 VAL 125 2HG1 VAL 125 16.321 -2.757 7.551 1031 3HG1 VAL 125 3HG1 VAL 125 16.552 -4.508 7.611 1032 1HG2 VAL 125 1HG2 VAL 125 14.814 -2.541 4.207 1033 2HG2 VAL 125 2HG2 VAL 125 15.408 -1.649 5.613 1034 3HG2 VAL 125 3HG2 VAL 125 16.562 -2.390 4.487 Start of MODEL 7 1 1H ALA 1 1H ALA 1 8.029 -15.713 -3.892 2 2H ALA 1 2H ALA 1 6.751 -15.062 -3.077 3 3H ALA 1 3H ALA 1 7.329 -14.317 -4.428 4 HA ALA 1 HA ALA 1 8.762 -14.656 -1.902 5 1HB ALA 1 1HB ALA 1 9.621 -13.258 -4.464 6 2HB ALA 1 2HB ALA 1 10.490 -13.206 -2.913 7 3HB ALA 1 3HB ALA 1 10.303 -14.745 -3.775 8 H PHE 2 H PHE 2 7.177 -13.675 -0.647 9 HA PHE 2 HA PHE 2 6.721 -10.758 -1.072 10 1HB PHE 2 1HB PHE 2 4.604 -12.844 -0.410 11 2HB PHE 2 2HB PHE 2 4.368 -11.099 -0.414 12 HD1 PHE 2 HD1 PHE 2 4.597 -14.103 -2.491 13 HD2 PHE 2 HD2 PHE 2 4.549 -9.792 -2.562 14 HE1 PHE 2 HE1 PHE 2 4.324 -14.141 -4.958 15 HE2 PHE 2 HE2 PHE 2 4.200 -9.840 -5.016 16 HZ PHE 2 HZ PHE 2 4.094 -11.994 -6.222 17 H SER 3 H SER 3 6.323 -13.543 1.153 18 HA SER 3 HA SER 3 6.172 -12.302 3.610 19 1HB SER 3 1HB SER 3 7.250 -14.415 4.448 20 2HB SER 3 2HB SER 3 5.898 -14.687 3.332 21 HG SER 3 HG SER 3 8.624 -14.635 2.565 22 H GLY 4 H GLY 4 7.477 -10.706 4.430 23 1HA GLY 4 1HA GLY 4 10.159 -10.937 5.072 24 2HA GLY 4 2HA GLY 4 10.139 -10.248 3.431 25 H THR 5 H THR 5 11.255 -8.578 4.972 26 HA THR 5 HA THR 5 9.239 -6.608 5.943 27 HB THR 5 HB THR 5 12.098 -6.867 6.904 28 HG1 THR 5 HG1 THR 5 9.829 -7.897 8.236 29 1HG2 THR 5 1HG2 THR 5 9.594 -5.669 8.195 30 2HG2 THR 5 2HG2 THR 5 11.253 -5.593 8.822 31 3HG2 THR 5 3HG2 THR 5 10.813 -4.714 7.348 32 H TRP 6 H TRP 6 9.516 -4.495 5.290 33 HA TRP 6 HA TRP 6 11.393 -4.009 3.043 34 1HB TRP 6 1HB TRP 6 8.374 -3.699 2.938 35 2HB TRP 6 2HB TRP 6 9.513 -3.446 1.617 36 HD1 TRP 6 HD1 TRP 6 7.554 -6.102 3.428 37 HE1 TRP 6 HE1 TRP 6 7.943 -8.439 2.365 38 HE3 TRP 6 HE3 TRP 6 11.212 -4.887 0.097 39 HZ2 TRP 6 HZ2 TRP 6 9.711 -9.618 0.463 40 HZ3 TRP 6 HZ3 TRP 6 12.230 -6.626 -1.344 41 HH2 TRP 6 HH2 TRP 6 11.544 -9.010 -1.116 42 H GLN 7 H GLN 7 11.700 -1.802 2.550 43 HA GLN 7 HA GLN 7 10.366 0.184 4.304 44 1HB GLN 7 1HB GLN 7 12.520 -0.365 5.368 45 2HB GLN 7 2HB GLN 7 13.375 -0.068 3.846 46 1HG GLN 7 1HG GLN 7 13.542 1.839 5.423 47 2HG GLN 7 2HG GLN 7 12.776 2.300 3.907 48 1HE2 GLN 7 1HE2 GLN 7 10.810 3.362 4.049 49 2HE2 GLN 7 2HE2 GLN 7 9.732 3.285 5.431 50 H VAL 8 H VAL 8 9.465 1.644 3.073 51 HA VAL 8 HA VAL 8 9.878 2.152 0.318 52 HB VAL 8 HB VAL 8 8.869 3.968 2.544 53 1HG1 VAL 8 1HG1 VAL 8 8.603 4.227 -0.484 54 2HG1 VAL 8 2HG1 VAL 8 7.822 5.268 0.732 55 3HG1 VAL 8 3HG1 VAL 8 9.578 5.279 0.560 56 1HG2 VAL 8 1HG2 VAL 8 6.631 3.364 1.691 57 2HG2 VAL 8 2HG2 VAL 8 7.360 2.250 0.522 58 3HG2 VAL 8 3HG2 VAL 8 7.482 1.928 2.267 59 H TYR 9 H TYR 9 11.672 2.882 -0.647 60 HA TYR 9 HA TYR 9 13.651 4.457 0.932 61 1HB TYR 9 1HB TYR 9 15.306 3.513 -0.195 62 2HB TYR 9 2HB TYR 9 14.159 2.201 -0.343 63 HD1 TYR 9 HD1 TYR 9 15.975 4.892 -2.090 64 HD2 TYR 9 HD2 TYR 9 13.077 1.735 -2.561 65 HE1 TYR 9 HE1 TYR 9 16.157 5.091 -4.554 66 HE2 TYR 9 HE2 TYR 9 13.381 1.836 -5.020 67 HH TYR 9 HH TYR 9 14.334 2.956 -6.780 68 H ALA 10 H ALA 10 11.599 4.482 -1.973 69 HA ALA 10 HA ALA 10 11.967 7.414 -2.203 70 1HB ALA 10 1HB ALA 10 12.134 7.212 -4.665 71 2HB ALA 10 2HB ALA 10 13.512 6.436 -3.864 72 3HB ALA 10 3HB ALA 10 12.193 5.440 -4.522 73 H GLN 11 H GLN 11 10.094 8.454 -2.982 74 HA GLN 11 HA GLN 11 7.752 6.924 -3.742 75 1HB GLN 11 1HB GLN 11 6.373 7.533 -1.853 76 2HB GLN 11 2HB GLN 11 7.793 6.701 -1.238 77 1HG GLN 11 1HG GLN 11 7.324 9.723 -1.241 78 2HG GLN 11 2HG GLN 11 7.195 8.652 0.148 79 1HE2 GLN 11 1HE2 GLN 11 9.264 7.329 0.653 80 2HE2 GLN 11 2HE2 GLN 11 10.789 8.168 0.469 81 H GLU 12 H GLU 12 6.112 8.195 -4.682 82 HA GLU 12 HA GLU 12 6.553 11.077 -4.875 83 1HB GLU 12 1HB GLU 12 7.988 9.529 -6.582 84 2HB GLU 12 2HB GLU 12 6.466 9.588 -7.480 85 1HG GLU 12 1HG GLU 12 6.566 12.081 -7.410 86 2HG GLU 12 2HG GLU 12 8.059 11.979 -6.454 87 HE2 GLU 12 HE2 GLU 12 8.178 10.877 -10.377 88 H ASN 13 H ASN 13 4.941 12.178 -6.054 89 HA ASN 13 HA ASN 13 2.852 12.884 -6.129 90 1HB ASN 13 1HB ASN 13 2.935 11.083 -8.004 91 2HB ASN 13 2HB ASN 13 1.851 10.159 -6.964 92 1HD2 ASN 13 1HD2 ASN 13 -0.081 11.693 -6.097 93 2HD2 ASN 13 2HD2 ASN 13 -0.830 12.693 -7.333 94 H TYR 14 H TYR 14 3.883 12.024 -3.736 95 HA TYR 14 HA TYR 14 1.911 10.416 -2.269 96 1HB TYR 14 1HB TYR 14 4.419 10.024 -2.384 97 2HB TYR 14 2HB TYR 14 4.636 11.470 -1.414 98 HD1 TYR 14 HD1 TYR 14 3.924 11.462 0.998 99 HD2 TYR 14 HD2 TYR 14 3.527 7.971 -1.504 100 HE1 TYR 14 HE1 TYR 14 3.802 10.020 3.017 101 HE2 TYR 14 HE2 TYR 14 3.353 6.545 0.514 102 HH TYR 14 HH TYR 14 3.444 6.466 2.806 103 H GLU 15 H GLU 15 3.558 13.577 -2.072 104 HA GLU 15 HA GLU 15 2.406 14.698 0.212 105 1HB GLU 15 1HB GLU 15 4.261 15.647 -0.929 106 2HB GLU 15 2HB GLU 15 3.370 15.877 -2.426 107 1HG GLU 15 1HG GLU 15 2.280 17.254 0.018 108 2HG GLU 15 2HG GLU 15 3.840 17.812 -0.586 109 HE2 GLU 15 HE2 GLU 15 2.042 19.979 -2.574 110 H GLU 16 H GLU 16 1.121 14.470 -3.105 111 HA GLU 16 HA GLU 16 -1.214 16.021 -2.802 112 1HB GLU 16 1HB GLU 16 -0.633 13.602 -4.583 113 2HB GLU 16 2HB GLU 16 -2.066 14.627 -4.686 114 1HG GLU 16 1HG GLU 16 -0.862 15.705 -6.248 115 2HG GLU 16 2HG GLU 16 -0.268 16.603 -4.853 116 HE2 GLU 16 HE2 GLU 16 2.935 14.975 -5.014 117 H PHE 17 H PHE 17 -0.678 12.497 -2.262 118 HA PHE 17 HA PHE 17 -3.366 11.882 -1.559 119 1HB PHE 17 1HB PHE 17 -1.790 10.157 -2.172 120 2HB PHE 17 2HB PHE 17 -0.745 10.550 -0.817 121 HD1 PHE 17 HD1 PHE 17 -0.953 9.411 1.222 122 HD2 PHE 17 HD2 PHE 17 -4.280 9.424 -1.527 123 HE1 PHE 17 HE1 PHE 17 -2.030 7.592 2.509 124 HE2 PHE 17 HE2 PHE 17 -5.382 7.654 -0.183 125 HZ PHE 17 HZ PHE 17 -4.267 6.745 1.841 126 H LEU 18 H LEU 18 -0.525 12.809 0.454 127 HA LEU 18 HA LEU 18 -1.831 12.562 2.964 128 1HB LEU 18 1HB LEU 18 0.354 14.538 2.154 129 2HB LEU 18 2HB LEU 18 -0.109 14.099 3.804 130 HG LEU 18 HG LEU 18 1.093 12.145 1.795 131 1HD1 LEU 18 1HD1 LEU 18 3.105 12.367 3.317 132 2HD1 LEU 18 2HD1 LEU 18 2.744 13.827 2.382 133 3HD1 LEU 18 3HD1 LEU 18 2.294 13.741 4.090 134 1HD2 LEU 18 1HD2 LEU 18 1.421 10.744 3.829 135 2HD2 LEU 18 2HD2 LEU 18 0.500 11.933 4.775 136 3HD2 LEU 18 3HD2 LEU 18 -0.291 11.005 3.478 137 H LYS 19 H LYS 19 -1.607 15.407 0.784 138 HA LYS 19 HA LYS 19 -3.188 17.107 2.444 139 1HB LYS 19 1HB LYS 19 -2.574 17.105 -0.531 140 2HB LYS 19 2HB LYS 19 -3.475 18.401 0.292 141 1HG LYS 19 1HG LYS 19 -1.607 19.011 1.646 142 2HG LYS 19 2HG LYS 19 -0.718 17.542 1.242 143 1HD LYS 19 1HD LYS 19 0.215 19.454 0.088 144 2HD LYS 19 2HD LYS 19 -0.399 18.247 -1.049 145 1HE LYS 19 1HE LYS 19 -2.154 20.591 -0.249 146 2HE LYS 19 2HE LYS 19 -0.864 20.811 -1.440 147 1HZ LYS 19 1HZ LYS 19 -2.899 20.276 -2.507 148 2HZ LYS 19 2HZ LYS 19 -1.793 19.079 -2.754 149 3HZ LYS 19 3HZ LYS 19 -3.028 18.852 -1.689 150 H ALA 20 H ALA 20 -4.063 14.703 -0.053 151 HA ALA 20 HA ALA 20 -6.839 15.399 -0.150 152 1HB ALA 20 1HB ALA 20 -5.550 12.711 -0.742 153 2HB ALA 20 2HB ALA 20 -7.156 13.265 -1.235 154 3HB ALA 20 3HB ALA 20 -5.712 14.060 -1.889 155 H LEU 21 H LEU 21 -4.914 13.601 2.266 156 HA LEU 21 HA LEU 21 -7.304 12.447 3.507 157 1HB LEU 21 1HB LEU 21 -4.463 12.732 4.540 158 2HB LEU 21 2HB LEU 21 -5.761 11.866 5.347 159 HG LEU 21 HG LEU 21 -4.620 11.116 2.639 160 1HD1 LEU 21 1HD1 LEU 21 -3.037 10.736 4.459 161 2HD1 LEU 21 2HD1 LEU 21 -4.278 9.890 5.402 162 3HD1 LEU 21 3HD1 LEU 21 -3.683 9.188 3.886 163 1HD2 LEU 21 1HD2 LEU 21 -5.914 8.980 3.048 164 2HD2 LEU 21 2HD2 LEU 21 -6.788 9.834 4.335 165 3HD2 LEU 21 3HD2 LEU 21 -6.901 10.387 2.651 166 H ALA 22 H ALA 22 -7.609 12.916 5.876 167 HA ALA 22 HA ALA 22 -8.797 15.434 6.049 168 1HB ALA 22 1HB ALA 22 -9.320 14.797 8.360 169 2HB ALA 22 2HB ALA 22 -9.544 13.422 7.261 170 3HB ALA 22 3HB ALA 22 -8.102 13.506 8.297 171 H LEU 23 H LEU 23 -5.688 14.343 7.402 172 HA LEU 23 HA LEU 23 -5.345 16.458 9.188 173 1HB LEU 23 1HB LEU 23 -3.020 15.804 9.326 174 2HB LEU 23 2HB LEU 23 -4.116 14.442 9.455 175 HG LEU 23 HG LEU 23 -3.145 14.908 6.672 176 1HD1 LEU 23 1HD1 LEU 23 -0.878 14.028 7.123 177 2HD1 LEU 23 2HD1 LEU 23 -1.141 15.600 7.897 178 3HD1 LEU 23 3HD1 LEU 23 -1.188 14.115 8.871 179 1HD2 LEU 23 1HD2 LEU 23 -2.771 12.493 6.753 180 2HD2 LEU 23 2HD2 LEU 23 -3.075 12.469 8.500 181 3HD2 LEU 23 3HD2 LEU 23 -4.389 12.857 7.372 182 HA PRO 24 HA PRO 24 -4.399 19.801 6.448 183 1HB PRO 24 1HB PRO 24 -3.583 21.734 8.170 184 2HB PRO 24 2HB PRO 24 -5.219 21.025 8.282 185 1HG PRO 24 1HG PRO 24 -2.757 20.193 9.858 186 2HG PRO 24 2HG PRO 24 -4.355 20.670 10.511 187 1HD PRO 24 1HD PRO 24 -3.719 18.056 10.088 188 2HD PRO 24 2HD PRO 24 -5.361 18.672 9.742 189 H GLU 25 H GLU 25 -2.645 21.339 5.816 190 HA GLU 25 HA GLU 25 -0.393 20.072 4.955 191 1HB GLU 25 1HB GLU 25 -1.298 22.188 4.083 192 2HB GLU 25 2HB GLU 25 -0.679 23.052 5.502 193 1HG GLU 25 1HG GLU 25 1.627 22.499 4.887 194 2HG GLU 25 2HG GLU 25 1.065 21.459 3.566 195 HE2 GLU 25 HE2 GLU 25 0.686 24.091 1.345 196 H ASP 26 H ASP 26 -0.694 21.950 7.985 197 HA ASP 26 HA ASP 26 2.010 22.018 8.728 198 1HB ASP 26 1HB ASP 26 0.220 23.258 9.896 199 2HB ASP 26 2HB ASP 26 -0.481 21.738 10.475 200 HD2 ASP 26 HD2 ASP 26 3.034 23.022 12.088 201 H LEU 27 H LEU 27 -0.338 19.353 9.044 202 HA LEU 27 HA LEU 27 1.663 17.689 10.449 203 1HB LEU 27 1HB LEU 27 -1.237 17.186 9.765 204 2HB LEU 27 2HB LEU 27 -0.178 16.120 10.696 205 HG LEU 27 HG LEU 27 -1.184 18.878 11.494 206 1HD1 LEU 27 1HD1 LEU 27 -2.275 17.664 13.304 207 2HD1 LEU 27 2HD1 LEU 27 -2.721 16.904 11.766 208 3HD1 LEU 27 3HD1 LEU 27 -1.503 16.143 12.806 209 1HD2 LEU 27 1HD2 LEU 27 1.074 18.817 12.355 210 2HD2 LEU 27 2HD2 LEU 27 -0.013 18.427 13.688 211 3HD2 LEU 27 3HD2 LEU 27 0.889 17.127 12.886 212 H ILE 28 H ILE 28 0.359 18.076 7.152 213 HA ILE 28 HA ILE 28 1.377 15.495 6.315 214 HB ILE 28 HB ILE 28 1.081 15.979 4.157 215 1HG1 ILE 28 1HG1 ILE 28 0.482 18.473 3.414 216 2HG1 ILE 28 2HG1 ILE 28 1.677 18.838 4.657 217 1HG2 ILE 28 1HG2 ILE 28 -1.053 17.686 5.434 218 2HG2 ILE 28 2HG2 ILE 28 -1.138 16.842 3.889 219 3HG2 ILE 28 3HG2 ILE 28 -1.030 15.911 5.389 220 1HD1 ILE 28 1HD1 ILE 28 2.711 18.622 2.462 221 2HD1 ILE 28 2HD1 ILE 28 3.283 17.288 3.479 222 3HD1 ILE 28 3HD1 ILE 28 2.024 16.994 2.267 223 H LYS 29 H LYS 29 2.780 18.691 6.860 224 HA LYS 29 HA LYS 29 5.254 18.460 5.648 225 1HB LYS 29 1HB LYS 29 4.043 20.288 7.242 226 2HB LYS 29 2HB LYS 29 5.144 19.608 8.432 227 1HG LYS 29 1HG LYS 29 5.854 20.847 5.731 228 2HG LYS 29 2HG LYS 29 6.022 21.600 7.322 229 1HD LYS 29 1HD LYS 29 7.660 19.778 7.950 230 2HD LYS 29 2HD LYS 29 7.599 19.222 6.260 231 1HE LYS 29 1HE LYS 29 8.338 21.452 5.484 232 2HE LYS 29 2HE LYS 29 8.398 22.026 7.164 233 1HZ LYS 29 1HZ LYS 29 10.077 20.377 7.594 234 2HZ LYS 29 2HZ LYS 29 10.032 19.873 6.025 235 3HZ LYS 29 3HZ LYS 29 10.538 21.399 6.386 236 H MET 30 H MET 30 4.146 17.084 8.768 237 HA MET 30 HA MET 30 6.727 16.062 9.560 238 1HB MET 30 1HB MET 30 3.899 15.402 10.467 239 2HB MET 30 2HB MET 30 5.380 14.823 11.248 240 1HG MET 30 1HG MET 30 6.055 17.137 11.722 241 2HG MET 30 2HG MET 30 4.612 17.758 10.908 242 1HE MET 30 1HE MET 30 5.697 18.325 14.032 243 2HE MET 30 2HE MET 30 4.442 19.227 13.149 244 3HE MET 30 3HE MET 30 4.085 18.534 14.748 245 H ALA 31 H ALA 31 3.763 14.561 8.165 246 HA ALA 31 HA ALA 31 4.721 11.922 8.027 247 1HB ALA 31 1HB ALA 31 2.903 11.585 6.373 248 2HB ALA 31 2HB ALA 31 2.364 12.477 7.810 249 3HB ALA 31 3HB ALA 31 2.677 13.347 6.295 250 H ARG 32 H ARG 32 5.166 14.599 5.720 251 HA ARG 32 HA ARG 32 6.146 13.116 3.552 252 1HB ARG 32 1HB ARG 32 5.908 15.893 4.312 253 2HB ARG 32 2HB ARG 32 7.534 15.659 3.727 254 1HG ARG 32 1HG ARG 32 5.119 14.661 2.160 255 2HG ARG 32 2HG ARG 32 5.637 16.343 2.089 256 1HD ARG 32 1HD ARG 32 6.487 15.008 0.189 257 2HD ARG 32 2HD ARG 32 7.764 15.795 1.136 258 HE ARG 32 HE ARG 32 7.641 13.362 2.303 259 1HH1 ARG 32 1HH1 ARG 32 8.072 14.202 -1.137 260 2HH1 ARG 32 2HH1 ARG 32 9.205 12.896 -1.387 261 1HH2 ARG 32 1HH2 ARG 32 9.101 11.792 1.972 262 2HH2 ARG 32 2HH2 ARG 32 9.756 11.467 0.376 263 H ASP 33 H ASP 33 7.708 14.061 6.588 264 HA ASP 33 HA ASP 33 10.275 12.836 5.664 265 1HB ASP 33 1HB ASP 33 10.383 15.304 5.941 266 2HB ASP 33 2HB ASP 33 9.867 15.133 7.624 267 HD2 ASP 33 HD2 ASP 33 13.511 13.536 6.690 268 H ILE 34 H ILE 34 8.310 11.233 6.501 269 HA ILE 34 HA ILE 34 9.592 10.052 8.894 270 HB ILE 34 HB ILE 34 6.626 10.367 8.332 271 1HG1 ILE 34 1HG1 ILE 34 8.306 10.518 10.884 272 2HG1 ILE 34 2HG1 ILE 34 7.843 11.905 9.894 273 1HG2 ILE 34 1HG2 ILE 34 7.864 8.154 10.017 274 2HG2 ILE 34 2HG2 ILE 34 6.132 8.559 9.934 275 3HG2 ILE 34 3HG2 ILE 34 6.934 7.933 8.513 276 1HD1 ILE 34 1HD1 ILE 34 6.357 11.822 11.756 277 2HD1 ILE 34 2HD1 ILE 34 5.428 11.347 10.318 278 3HD1 ILE 34 3HD1 ILE 34 5.973 10.119 11.488 279 H LYS 35 H LYS 35 9.911 7.843 8.651 280 HA LYS 35 HA LYS 35 9.749 6.838 5.874 281 1HB LYS 35 1HB LYS 35 11.422 5.245 6.493 282 2HB LYS 35 2HB LYS 35 11.941 6.913 6.697 283 1HG LYS 35 1HG LYS 35 12.662 6.415 8.751 284 2HG LYS 35 2HG LYS 35 11.001 6.182 9.266 285 1HD LYS 35 1HD LYS 35 12.152 4.215 9.878 286 2HD LYS 35 2HD LYS 35 11.178 3.770 8.471 287 1HE LYS 35 1HE LYS 35 13.247 4.040 7.030 288 2HE LYS 35 2HE LYS 35 14.166 4.414 8.493 289 1HZ LYS 35 1HZ LYS 35 12.733 1.913 7.956 290 2HZ LYS 35 2HZ LYS 35 14.367 2.126 7.876 291 3HZ LYS 35 3HZ LYS 35 13.591 2.245 9.327 292 HA PRO 36 HA PRO 36 6.497 4.249 7.832 293 1HB PRO 36 1HB PRO 36 5.101 3.552 5.618 294 2HB PRO 36 2HB PRO 36 4.982 5.177 6.352 295 1HG PRO 36 1HG PRO 36 6.662 4.339 3.975 296 2HG PRO 36 2HG PRO 36 5.604 5.768 4.122 297 1HD PRO 36 1HD PRO 36 8.317 5.846 4.536 298 2HD PRO 36 2HD PRO 36 7.178 6.907 5.418 299 H ILE 37 H ILE 37 7.359 2.373 8.510 300 HA ILE 37 HA ILE 37 8.887 0.642 6.679 301 HB ILE 37 HB ILE 37 9.749 1.189 8.873 302 1HG1 ILE 37 1HG1 ILE 37 10.222 -1.014 7.641 303 2HG1 ILE 37 2HG1 ILE 37 10.748 -0.792 9.308 304 1HG2 ILE 37 1HG2 ILE 37 7.388 -0.322 10.032 305 2HG2 ILE 37 2HG2 ILE 37 8.846 0.158 10.931 306 3HG2 ILE 37 3HG2 ILE 37 7.791 1.395 10.251 307 1HD1 ILE 37 1HD1 ILE 37 8.950 -2.168 10.168 308 2HD1 ILE 37 2HD1 ILE 37 8.241 -2.344 8.551 309 3HD1 ILE 37 3HD1 ILE 37 9.831 -3.036 8.905 310 H VAL 38 H VAL 38 8.235 -1.349 6.015 311 HA VAL 38 HA VAL 38 5.331 -2.024 6.307 312 HB VAL 38 HB VAL 38 7.123 -2.031 3.848 313 1HG1 VAL 38 1HG1 VAL 38 5.586 -3.922 3.694 314 2HG1 VAL 38 2HG1 VAL 38 4.214 -2.888 4.162 315 3HG1 VAL 38 3HG1 VAL 38 5.043 -2.642 2.609 316 1HG2 VAL 38 1HG2 VAL 38 4.697 -0.318 4.521 317 2HG2 VAL 38 2HG2 VAL 38 6.382 0.240 4.428 318 3HG2 VAL 38 3HG2 VAL 38 5.567 -0.332 2.972 319 H GLU 39 H GLU 39 4.850 -4.273 6.296 320 HA GLU 39 HA GLU 39 7.019 -6.204 5.985 321 1HB GLU 39 1HB GLU 39 7.196 -5.520 8.376 322 2HB GLU 39 2HB GLU 39 5.516 -6.014 8.635 323 1HG GLU 39 1HG GLU 39 6.070 -8.339 8.065 324 2HG GLU 39 2HG GLU 39 7.711 -7.867 7.600 325 HE2 GLU 39 HE2 GLU 39 8.906 -7.652 10.873 326 H ILE 40 H ILE 40 6.280 -7.971 5.027 327 HA ILE 40 HA ILE 40 3.339 -8.422 4.828 328 HB ILE 40 HB ILE 40 5.558 -9.445 3.044 329 1HG1 ILE 40 1HG1 ILE 40 5.677 -7.083 2.770 330 2HG1 ILE 40 2HG1 ILE 40 4.941 -7.799 1.345 331 1HG2 ILE 40 1HG2 ILE 40 2.536 -9.311 2.696 332 2HG2 ILE 40 2HG2 ILE 40 3.689 -9.847 1.456 333 3HG2 ILE 40 3HG2 ILE 40 3.523 -10.761 2.962 334 1HD1 ILE 40 1HD1 ILE 40 3.854 -5.701 1.979 335 2HD1 ILE 40 2HD1 ILE 40 2.720 -7.055 2.136 336 3HD1 ILE 40 3HD1 ILE 40 3.471 -6.337 3.586 337 H GLN 41 H GLN 41 2.615 -10.250 5.779 338 HA GLN 41 HA GLN 41 4.519 -12.468 6.403 339 1HB GLN 41 1HB GLN 41 3.830 -11.283 8.460 340 2HB GLN 41 2HB GLN 41 2.138 -11.506 8.030 341 1HG GLN 41 1HG GLN 41 2.729 -13.180 9.651 342 2HG GLN 41 2HG GLN 41 2.465 -13.994 8.106 343 1HE2 GLN 41 1HE2 GLN 41 3.715 -15.788 9.081 344 2HE2 GLN 41 2HE2 GLN 41 5.465 -15.704 9.100 345 H GLN 42 H GLN 42 4.155 -13.762 4.719 346 HA GLN 42 HA GLN 42 1.364 -14.297 3.819 347 1HB GLN 42 1HB GLN 42 2.444 -12.776 2.355 348 2HB GLN 42 2HB GLN 42 3.917 -13.741 2.250 349 1HG GLN 42 1HG GLN 42 1.218 -14.820 1.336 350 2HG GLN 42 2HG GLN 42 2.169 -13.714 0.338 351 1HE2 GLN 42 1HE2 GLN 42 1.593 -16.074 -0.797 352 2HE2 GLN 42 2HE2 GLN 42 3.050 -17.043 -0.905 353 H LYS 43 H LYS 43 0.857 -16.360 3.315 354 HA LYS 43 HA LYS 43 2.912 -18.451 3.201 355 1HB LYS 43 1HB LYS 43 1.739 -19.880 4.838 356 2HB LYS 43 2HB LYS 43 2.617 -18.512 5.525 357 1HG LYS 43 1HG LYS 43 0.489 -17.248 5.768 358 2HG LYS 43 2HG LYS 43 -0.413 -18.651 5.179 359 1HD LYS 43 1HD LYS 43 1.371 -18.586 7.656 360 2HD LYS 43 2HD LYS 43 -0.396 -18.442 7.645 361 1HE LYS 43 1HE LYS 43 -0.531 -20.727 6.586 362 2HE LYS 43 2HE LYS 43 1.225 -20.886 6.796 363 1HZ LYS 43 1HZ LYS 43 0.917 -20.628 9.139 364 2HZ LYS 43 2HZ LYS 43 -0.716 -20.481 8.953 365 3HZ LYS 43 3HZ LYS 43 0.035 -21.897 8.570 366 H GLY 44 H GLY 44 2.148 -18.008 1.047 367 1HA GLY 44 1HA GLY 44 1.295 -19.112 -0.788 368 2HA GLY 44 2HA GLY 44 0.278 -20.114 0.258 369 H ASP 45 H ASP 45 -1.869 -19.677 0.175 370 HA ASP 45 HA ASP 45 -2.932 -17.623 -1.474 371 1HB ASP 45 1HB ASP 45 -4.316 -19.346 0.615 372 2HB ASP 45 2HB ASP 45 -5.117 -18.417 -0.656 373 HD2 ASP 45 HD2 ASP 45 -4.375 -20.665 -3.213 374 H ASP 46 H ASP 46 -2.636 -17.948 2.079 375 HA ASP 46 HA ASP 46 -4.143 -15.542 2.635 376 1HB ASP 46 1HB ASP 46 -2.352 -17.218 4.420 377 2HB ASP 46 2HB ASP 46 -3.447 -15.936 4.960 378 HD2 ASP 46 HD2 ASP 46 -6.388 -17.814 4.314 379 H PHE 47 H PHE 47 -3.460 -13.547 2.907 380 HA PHE 47 HA PHE 47 -0.552 -12.842 2.916 381 1HB PHE 47 1HB PHE 47 -2.792 -11.946 1.098 382 2HB PHE 47 2HB PHE 47 -1.613 -10.760 1.633 383 HD1 PHE 47 HD1 PHE 47 0.260 -10.354 0.340 384 HD2 PHE 47 HD2 PHE 47 -1.675 -14.197 0.072 385 HE1 PHE 47 HE1 PHE 47 1.721 -10.964 -1.552 386 HE2 PHE 47 HE2 PHE 47 -0.220 -14.785 -1.849 387 HZ PHE 47 HZ PHE 47 1.456 -13.161 -2.688 388 H VAL 48 H VAL 48 -0.171 -11.796 4.797 389 HA VAL 48 HA VAL 48 -2.222 -9.864 5.785 390 HB VAL 48 HB VAL 48 0.003 -11.290 7.270 391 1HG1 VAL 48 1HG1 VAL 48 -1.777 -9.001 8.215 392 2HG1 VAL 48 2HG1 VAL 48 -0.766 -10.004 9.268 393 3HG1 VAL 48 3HG1 VAL 48 -0.011 -8.975 8.050 394 1HG2 VAL 48 1HG2 VAL 48 -2.129 -12.565 6.980 395 2HG2 VAL 48 2HG2 VAL 48 -1.799 -12.141 8.670 396 3HG2 VAL 48 3HG2 VAL 48 -3.003 -11.220 7.748 397 H VAL 49 H VAL 49 -1.692 -7.791 5.636 398 HA VAL 49 HA VAL 49 1.110 -6.981 4.952 399 HB VAL 49 HB VAL 49 -1.537 -5.612 4.291 400 1HG1 VAL 49 1HG1 VAL 49 -0.076 -4.036 3.001 401 2HG1 VAL 49 2HG1 VAL 49 0.203 -3.940 4.744 402 3HG1 VAL 49 3HG1 VAL 49 1.351 -4.815 3.710 403 1HG2 VAL 49 1HG2 VAL 49 -1.122 -7.556 2.836 404 2HG2 VAL 49 2HG2 VAL 49 -0.927 -6.037 1.946 405 3HG2 VAL 49 3HG2 VAL 49 0.500 -6.950 2.472 406 H THR 50 H THR 50 2.055 -5.661 6.447 407 HA THR 50 HA THR 50 0.371 -4.236 8.425 408 HB THR 50 HB THR 50 2.871 -5.860 9.065 409 HG1 THR 50 HG1 THR 50 1.372 -7.081 10.289 410 1HG2 THR 50 1HG2 THR 50 1.030 -4.191 10.841 411 2HG2 THR 50 2HG2 THR 50 2.290 -5.291 11.434 412 3HG2 THR 50 3HG2 THR 50 2.741 -3.858 10.497 413 H SER 51 H SER 51 1.134 -2.195 8.899 414 HA SER 51 HA SER 51 3.830 -1.464 8.052 415 1HB SER 51 1HB SER 51 2.433 -0.956 6.044 416 2HB SER 51 2HB SER 51 1.422 0.112 7.039 417 HG SER 51 HG SER 51 4.243 0.389 6.821 418 H LYS 52 H LYS 52 4.749 0.060 9.347 419 HA LYS 52 HA LYS 52 3.106 1.092 11.613 420 1HB LYS 52 1HB LYS 52 6.002 0.213 11.798 421 2HB LYS 52 2HB LYS 52 4.843 0.595 13.076 422 1HG LYS 52 1HG LYS 52 3.567 -1.464 12.553 423 2HG LYS 52 2HG LYS 52 4.666 -1.812 11.212 424 1HD LYS 52 1HD LYS 52 5.255 -3.219 12.995 425 2HD LYS 52 2HD LYS 52 6.567 -2.063 12.783 426 1HE LYS 52 1HE LYS 52 4.381 -1.623 14.869 427 2HE LYS 52 2HE LYS 52 5.737 -2.714 15.180 428 1HZ LYS 52 1HZ LYS 52 7.249 -0.947 14.827 429 2HZ LYS 52 2HZ LYS 52 6.036 0.116 14.503 430 3HZ LYS 52 3HZ LYS 52 6.169 -0.544 16.002 431 H THR 53 H THR 53 3.799 3.074 12.507 432 HA THR 53 HA THR 53 6.113 4.457 11.502 433 HB THR 53 HB THR 53 3.625 4.837 10.160 434 HG1 THR 53 HG1 THR 53 6.055 6.254 9.987 435 1HG2 THR 53 1HG2 THR 53 2.857 6.459 11.706 436 2HG2 THR 53 2HG2 THR 53 4.323 7.442 11.506 437 3HG2 THR 53 3HG2 THR 53 3.225 7.180 10.146 438 HA PRO 54 HA PRO 54 5.587 6.009 15.607 439 1HB PRO 54 1HB PRO 54 7.159 8.213 15.703 440 2HB PRO 54 2HB PRO 54 7.811 6.606 15.296 441 1HG PRO 54 1HG PRO 54 6.970 8.775 13.357 442 2HG PRO 54 2HG PRO 54 8.530 7.903 13.405 443 1HD PRO 54 1HD PRO 54 6.456 7.144 11.779 444 2HD PRO 54 2HD PRO 54 7.543 5.936 12.493 445 H ARG 55 H ARG 55 3.355 6.629 13.906 446 HA ARG 55 HA ARG 55 2.213 8.897 15.417 447 1HB ARG 55 1HB ARG 55 2.125 8.686 12.373 448 2HB ARG 55 2HB ARG 55 1.111 9.740 13.361 449 1HG ARG 55 1HG ARG 55 3.201 10.848 14.248 450 2HG ARG 55 2HG ARG 55 4.154 9.845 13.141 451 1HD ARG 55 1HD ARG 55 3.807 12.066 12.206 452 2HD ARG 55 2HD ARG 55 3.013 10.829 11.205 453 HE ARG 55 HE ARG 55 1.127 11.787 13.079 454 1HH1 ARG 55 1HH1 ARG 55 2.946 13.062 10.314 455 2HH1 ARG 55 2HH1 ARG 55 1.714 14.213 9.863 456 1HH2 ARG 55 1HH2 ARG 55 -0.522 13.206 12.441 457 2HH2 ARG 55 2HH2 ARG 55 -0.319 14.230 11.044 458 H GLN 56 H GLN 56 1.785 6.142 13.186 459 HA GLN 56 HA GLN 56 -0.510 5.142 14.587 460 1HB GLN 56 1HB GLN 56 -2.030 5.192 12.610 461 2HB GLN 56 2HB GLN 56 -1.681 6.777 13.281 462 1HG GLN 56 1HG GLN 56 -1.651 7.042 10.936 463 2HG GLN 56 2HG GLN 56 0.029 7.143 11.444 464 1HE2 GLN 56 1HE2 GLN 56 -2.452 4.821 10.217 465 2HE2 GLN 56 2HE2 GLN 56 -1.336 3.872 9.258 466 H THR 57 H THR 57 -1.304 3.113 13.356 467 HA THR 57 HA THR 57 0.752 1.714 11.806 468 HB THR 57 HB THR 57 0.017 0.951 14.668 469 HG1 THR 57 HG1 THR 57 1.799 2.390 14.173 470 1HG2 THR 57 1HG2 THR 57 -0.122 -1.127 13.430 471 2HG2 THR 57 2HG2 THR 57 1.340 -0.735 12.507 472 3HG2 THR 57 3HG2 THR 57 1.449 -1.099 14.242 473 H VAL 58 H VAL 58 -0.163 0.008 10.643 474 HA VAL 58 HA VAL 58 -3.027 -0.587 11.038 475 HB VAL 58 HB VAL 58 -1.708 0.406 8.476 476 1HG1 VAL 58 1HG1 VAL 58 -3.913 -0.039 7.387 477 2HG1 VAL 58 2HG1 VAL 58 -3.067 -1.524 7.828 478 3HG1 VAL 58 3HG1 VAL 58 -4.415 -0.938 8.836 479 1HG2 VAL 58 1HG2 VAL 58 -3.587 2.021 8.507 480 2HG2 VAL 58 2HG2 VAL 58 -4.197 1.306 10.010 481 3HG2 VAL 58 3HG2 VAL 58 -2.639 2.156 9.995 482 H THR 59 H THR 59 -3.673 -2.569 10.384 483 HA THR 59 HA THR 59 -1.747 -4.462 9.213 484 HB THR 59 HB THR 59 -3.430 -4.975 11.708 485 HG1 THR 59 HG1 THR 59 -1.397 -3.874 11.946 486 1HG2 THR 59 1HG2 THR 59 -2.334 -7.223 11.691 487 2HG2 THR 59 2HG2 THR 59 -3.441 -7.007 10.329 488 3HG2 THR 59 3HG2 THR 59 -1.685 -6.874 10.071 489 H ASN 60 H ASN 60 -2.792 -5.950 7.852 490 HA ASN 60 HA ASN 60 -5.724 -5.739 7.413 491 1HB ASN 60 1HB ASN 60 -3.840 -5.841 5.060 492 2HB ASN 60 2HB ASN 60 -5.489 -5.244 5.162 493 1HD2 ASN 60 1HD2 ASN 60 -2.117 -4.572 6.160 494 2HD2 ASN 60 2HD2 ASN 60 -2.228 -2.832 6.105 495 H SER 61 H SER 61 -6.550 -7.788 7.089 496 HA SER 61 HA SER 61 -4.680 -10.036 6.499 497 1HB SER 61 1HB SER 61 -6.173 -11.385 8.012 498 2HB SER 61 2HB SER 61 -5.188 -10.161 8.833 499 HG SER 61 HG SER 61 -7.348 -10.120 9.548 500 H PHE 62 H PHE 62 -5.233 -11.187 4.751 501 HA PHE 62 HA PHE 62 -7.977 -11.622 3.929 502 1HB PHE 62 1HB PHE 62 -7.756 -10.447 1.784 503 2HB PHE 62 2HB PHE 62 -7.810 -9.355 3.142 504 HD1 PHE 62 HD1 PHE 62 -5.552 -10.850 0.562 505 HD2 PHE 62 HD2 PHE 62 -5.984 -7.857 3.642 506 HE1 PHE 62 HE1 PHE 62 -3.446 -9.777 -0.174 507 HE2 PHE 62 HE2 PHE 62 -3.923 -6.742 2.831 508 HZ PHE 62 HZ PHE 62 -2.664 -7.691 0.909 509 H THR 63 H THR 63 -7.774 -12.424 1.450 510 HA THR 63 HA THR 63 -5.471 -14.250 1.146 511 HB THR 63 HB THR 63 -8.395 -15.076 0.933 512 HG1 THR 63 HG1 THR 63 -6.574 -15.562 3.059 513 1HG2 THR 63 1HG2 THR 63 -6.712 -16.463 -0.370 514 2HG2 THR 63 2HG2 THR 63 -5.869 -16.780 1.165 515 3HG2 THR 63 3HG2 THR 63 -7.518 -17.371 0.917 516 H LEU 64 H LEU 64 -5.116 -14.796 -1.055 517 HA LEU 64 HA LEU 64 -6.165 -12.876 -2.972 518 1HB LEU 64 1HB LEU 64 -4.644 -13.861 -4.538 519 2HB LEU 64 2HB LEU 64 -3.858 -13.630 -2.983 520 HG LEU 64 HG LEU 64 -4.410 -16.161 -2.555 521 1HD1 LEU 64 1HD1 LEU 64 -4.673 -16.020 -5.591 522 2HD1 LEU 64 2HD1 LEU 64 -4.276 -17.498 -4.698 523 3HD1 LEU 64 3HD1 LEU 64 -5.837 -16.731 -4.452 524 1HD2 LEU 64 1HD2 LEU 64 -2.356 -15.228 -4.603 525 2HD2 LEU 64 2HD2 LEU 64 -2.176 -15.230 -2.836 526 3HD2 LEU 64 3HD2 LEU 64 -2.283 -16.765 -3.712 527 H GLY 65 H GLY 65 -7.101 -13.569 -5.080 528 1HA GLY 65 1HA GLY 65 -8.288 -14.968 -6.488 529 2HA GLY 65 2HA GLY 65 -8.417 -16.196 -5.225 530 H LYS 66 H LYS 66 -9.424 -14.103 -3.260 531 HA LYS 66 HA LYS 66 -12.249 -13.941 -4.209 532 1HB LYS 66 1HB LYS 66 -11.217 -15.640 -2.272 533 2HB LYS 66 2HB LYS 66 -11.614 -14.229 -1.302 534 1HG LYS 66 1HG LYS 66 -13.490 -15.656 -1.219 535 2HG LYS 66 2HG LYS 66 -13.985 -14.376 -2.332 536 1HD LYS 66 1HD LYS 66 -13.423 -15.869 -4.262 537 2HD LYS 66 2HD LYS 66 -12.900 -17.123 -3.121 538 1HE LYS 66 1HE LYS 66 -15.187 -17.208 -2.161 539 2HE LYS 66 2HE LYS 66 -15.712 -15.947 -3.296 540 1HZ LYS 66 1HZ LYS 66 -16.281 -18.121 -4.063 541 2HZ LYS 66 2HZ LYS 66 -15.189 -17.434 -5.089 542 3HZ LYS 66 3HZ LYS 66 -14.706 -18.606 -4.034 543 H GLU 67 H GLU 67 -13.433 -12.484 -2.379 544 HA GLU 67 HA GLU 67 -12.480 -9.818 -2.646 545 1HB GLU 67 1HB GLU 67 -14.307 -9.223 -1.209 546 2HB GLU 67 2HB GLU 67 -14.853 -10.456 -2.356 547 1HG GLU 67 1HG GLU 67 -14.527 -12.196 -0.540 548 2HG GLU 67 2HG GLU 67 -14.158 -10.883 0.591 549 HE2 GLU 67 HE2 GLU 67 -17.482 -9.638 0.607 550 H ALA 68 H ALA 68 -11.408 -8.524 -1.242 551 HA ALA 68 HA ALA 68 -10.286 -9.634 1.290 552 1HB ALA 68 1HB ALA 68 -8.072 -8.659 0.464 553 2HB ALA 68 2HB ALA 68 -8.620 -10.141 -0.369 554 3HB ALA 68 3HB ALA 68 -8.823 -8.556 -1.132 555 H ASP 69 H ASP 69 -10.511 -8.195 2.882 556 HA ASP 69 HA ASP 69 -11.245 -5.416 2.314 557 1HB ASP 69 1HB ASP 69 -11.609 -5.237 4.696 558 2HB ASP 69 2HB ASP 69 -12.435 -6.670 4.064 559 HD2 ASP 69 HD2 ASP 69 -9.752 -7.056 6.970 560 H ILE 70 H ILE 70 -9.904 -3.660 2.682 561 HA ILE 70 HA ILE 70 -7.222 -4.105 3.871 562 HB ILE 70 HB ILE 70 -7.681 -2.600 1.273 563 1HG1 ILE 70 1HG1 ILE 70 -6.568 -5.387 1.801 564 2HG1 ILE 70 2HG1 ILE 70 -7.926 -4.926 0.762 565 1HG2 ILE 70 1HG2 ILE 70 -5.111 -3.301 2.753 566 2HG2 ILE 70 2HG2 ILE 70 -5.223 -2.428 1.207 567 3HG2 ILE 70 3HG2 ILE 70 -5.848 -1.684 2.663 568 1HD1 ILE 70 1HD1 ILE 70 -6.234 -3.666 -0.679 569 2HD1 ILE 70 2HD1 ILE 70 -4.968 -4.502 0.258 570 3HD1 ILE 70 3HD1 ILE 70 -6.134 -5.441 -0.684 571 H THR 71 H THR 71 -6.468 -2.382 5.017 572 HA THR 71 HA THR 71 -8.438 -0.274 5.733 573 HB THR 71 HB THR 71 -6.007 -1.321 7.206 574 HG1 THR 71 HG1 THR 71 -7.229 -2.770 8.013 575 1HG2 THR 71 1HG2 THR 71 -6.684 0.980 7.904 576 2HG2 THR 71 2HG2 THR 71 -8.332 0.390 8.204 577 3HG2 THR 71 3HG2 THR 71 -6.975 -0.215 9.173 578 H THR 72 H THR 72 -8.025 1.724 4.899 579 HA THR 72 HA THR 72 -5.469 2.442 3.726 580 HB THR 72 HB THR 72 -7.780 4.293 4.438 581 HG1 THR 72 HG1 THR 72 -8.644 2.648 3.249 582 1HG2 THR 72 1HG2 THR 72 -5.658 4.391 2.249 583 2HG2 THR 72 2HG2 THR 72 -7.016 5.519 2.419 584 3HG2 THR 72 3HG2 THR 72 -5.764 5.470 3.663 585 H MET 73 H MET 73 -4.050 4.117 4.550 586 HA MET 73 HA MET 73 -3.748 4.099 7.454 587 1HB MET 73 1HB MET 73 -2.095 5.359 5.229 588 2HB MET 73 2HB MET 73 -1.705 5.430 6.952 589 1HG MET 73 1HG MET 73 -0.399 3.692 6.081 590 2HG MET 73 2HG MET 73 -1.654 2.962 7.073 591 1HE MET 73 1HE MET 73 -1.721 4.184 3.208 592 2HE MET 73 2HE MET 73 -0.116 3.516 3.594 593 3HE MET 73 3HE MET 73 -1.202 2.646 2.486 594 H ASP 74 H ASP 74 -6.087 5.166 7.185 595 HA ASP 74 HA ASP 74 -5.749 7.693 8.513 596 1HB ASP 74 1HB ASP 74 -5.848 8.326 6.042 597 2HB ASP 74 2HB ASP 74 -7.490 7.685 6.007 598 HD2 ASP 74 HD2 ASP 74 -8.800 10.625 7.308 599 H GLY 75 H GLY 75 -6.743 4.840 8.853 600 1HA GLY 75 1HA GLY 75 -8.412 3.693 9.853 601 2HA GLY 75 2HA GLY 75 -8.935 5.233 10.550 602 H LYS 76 H LYS 76 -8.899 3.834 7.207 603 HA LYS 76 HA LYS 76 -11.843 3.949 7.098 604 1HB LYS 76 1HB LYS 76 -10.976 6.172 6.271 605 2HB LYS 76 2HB LYS 76 -10.032 5.309 5.053 606 1HG LYS 76 1HG LYS 76 -11.998 6.128 3.992 607 2HG LYS 76 2HG LYS 76 -12.186 4.375 4.120 608 1HD LYS 76 1HD LYS 76 -13.675 4.718 6.124 609 2HD LYS 76 2HD LYS 76 -13.391 6.462 6.009 610 1HE LYS 76 1HE LYS 76 -15.550 5.909 5.050 611 2HE LYS 76 2HE LYS 76 -14.471 6.485 3.770 612 1HZ LYS 76 1HZ LYS 76 -15.076 3.666 4.366 613 2HZ LYS 76 2HZ LYS 76 -15.713 4.546 3.127 614 3HZ LYS 76 3HZ LYS 76 -14.103 4.200 3.149 615 H LYS 77 H LYS 77 -12.466 1.970 6.381 616 HA LYS 77 HA LYS 77 -10.485 0.272 5.021 617 1HB LYS 77 1HB LYS 77 -13.229 -0.407 6.129 618 2HB LYS 77 2HB LYS 77 -12.031 -1.548 5.489 619 1HG LYS 77 1HG LYS 77 -10.400 -0.751 7.223 620 2HG LYS 77 2HG LYS 77 -11.692 0.234 7.938 621 1HD LYS 77 1HD LYS 77 -13.054 -1.791 8.300 622 2HD LYS 77 2HD LYS 77 -11.779 -2.804 7.602 623 1HE LYS 77 1HE LYS 77 -11.350 -0.988 10.024 624 2HE LYS 77 2HE LYS 77 -11.862 -2.676 10.158 625 1HZ LYS 77 1HZ LYS 77 -9.877 -3.367 9.123 626 2HZ LYS 77 2HZ LYS 77 -9.377 -1.832 8.831 627 3HZ LYS 77 3HZ LYS 77 -9.488 -2.379 10.381 628 H LEU 78 H LEU 78 -11.116 -1.133 3.273 629 HA LEU 78 HA LEU 78 -13.355 -0.348 1.563 630 1HB LEU 78 1HB LEU 78 -12.019 0.031 -0.388 631 2HB LEU 78 2HB LEU 78 -11.486 1.141 0.867 632 HG LEU 78 HG LEU 78 -9.882 -1.294 1.048 633 1HD1 LEU 78 1HD1 LEU 78 -10.494 -1.681 -1.295 634 2HD1 LEU 78 2HD1 LEU 78 -9.984 -0.033 -1.711 635 3HD1 LEU 78 3HD1 LEU 78 -8.791 -1.226 -1.147 636 1HD2 LEU 78 1HD2 LEU 78 -8.028 0.243 0.705 637 2HD2 LEU 78 2HD2 LEU 78 -9.144 1.528 0.194 638 3HD2 LEU 78 3HD2 LEU 78 -9.199 0.910 1.860 639 H LYS 79 H LYS 79 -13.467 -1.877 -0.346 640 HA LYS 79 HA LYS 79 -12.390 -4.600 0.270 641 1HB LYS 79 1HB LYS 79 -15.106 -3.773 -0.844 642 2HB LYS 79 2HB LYS 79 -14.409 -5.378 -1.045 643 1HG LYS 79 1HG LYS 79 -15.855 -5.610 0.728 644 2HG LYS 79 2HG LYS 79 -14.238 -5.603 1.450 645 1HD LYS 79 1HD LYS 79 -14.586 -3.341 2.305 646 2HD LYS 79 2HD LYS 79 -16.033 -3.133 1.301 647 1HE LYS 79 1HE LYS 79 -16.663 -3.546 3.629 648 2HE LYS 79 2HE LYS 79 -17.216 -4.864 2.586 649 1HZ LYS 79 1HZ LYS 79 -14.839 -4.904 4.311 650 2HZ LYS 79 2HZ LYS 79 -16.256 -5.701 4.575 651 3HZ LYS 79 3HZ LYS 79 -15.297 -6.127 3.306 652 H CYS 80 H CYS 80 -11.516 -5.705 -1.447 653 HA CYS 80 HA CYS 80 -11.877 -4.856 -4.194 654 1HB CYS 80 1HB CYS 80 -9.425 -4.577 -4.629 655 2HB CYS 80 2HB CYS 80 -10.109 -3.269 -3.654 656 HG CYS 80 HG CYS 80 -9.148 -5.826 -1.961 657 H THR 81 H THR 81 -11.196 -6.495 -5.660 658 HA THR 81 HA THR 81 -11.008 -9.159 -4.419 659 HB THR 81 HB THR 81 -11.304 -8.384 -7.340 660 HG1 THR 81 HG1 THR 81 -13.492 -8.832 -6.915 661 1HG2 THR 81 1HG2 THR 81 -10.489 -10.724 -6.969 662 2HG2 THR 81 2HG2 THR 81 -11.825 -10.998 -5.832 663 3HG2 THR 81 3HG2 THR 81 -12.160 -10.703 -7.550 664 H VAL 82 H VAL 82 -8.901 -9.071 -3.568 665 HA VAL 82 HA VAL 82 -6.557 -8.492 -5.119 666 HB VAL 82 HB VAL 82 -6.992 -10.064 -2.547 667 1HG1 VAL 82 1HG1 VAL 82 -4.884 -10.840 -3.554 668 2HG1 VAL 82 2HG1 VAL 82 -4.388 -9.161 -3.865 669 3HG1 VAL 82 3HG1 VAL 82 -4.535 -9.762 -2.204 670 1HG2 VAL 82 1HG2 VAL 82 -6.194 -8.062 -1.441 671 2HG2 VAL 82 2HG2 VAL 82 -5.784 -7.304 -2.984 672 3HG2 VAL 82 3HG2 VAL 82 -7.473 -7.540 -2.555 673 H HIS 83 H HIS 83 -5.457 -9.708 -6.546 674 HA HIS 83 HA HIS 83 -5.463 -12.617 -6.390 675 1HB HIS 83 1HB HIS 83 -5.959 -12.825 -8.805 676 2HB HIS 83 2HB HIS 83 -7.344 -12.280 -7.861 677 HD1 HIS 83 HD1 HIS 83 -8.101 -9.738 -8.160 678 HD2 HIS 83 HD2 HIS 83 -5.003 -11.059 -10.715 679 HE1 HIS 83 HE1 HIS 83 -7.905 -8.039 -10.057 680 HE2 HIS 83 HE2 HIS 83 -6.027 -8.828 -11.617 681 H LEU 84 H LEU 84 -3.780 -13.469 -7.890 682 HA LEU 84 HA LEU 84 -1.531 -11.544 -8.222 683 1HB LEU 84 1HB LEU 84 -1.462 -13.165 -6.315 684 2HB LEU 84 2HB LEU 84 -1.329 -14.488 -7.479 685 HG LEU 84 HG LEU 84 0.590 -12.113 -7.371 686 1HD1 LEU 84 1HD1 LEU 84 0.772 -14.769 -5.891 687 2HD1 LEU 84 2HD1 LEU 84 2.080 -13.579 -6.026 688 3HD1 LEU 84 3HD1 LEU 84 0.592 -13.157 -5.164 689 1HD2 LEU 84 1HD2 LEU 84 2.195 -13.723 -8.403 690 2HD2 LEU 84 2HD2 LEU 84 0.911 -14.944 -8.480 691 3HD2 LEU 84 3HD2 LEU 84 0.804 -13.457 -9.445 692 H ALA 85 H ALA 85 -0.758 -11.416 -10.212 693 HA ALA 85 HA ALA 85 -0.983 -13.617 -12.145 694 1HB ALA 85 1HB ALA 85 -3.143 -12.317 -12.349 695 2HB ALA 85 2HB ALA 85 -2.185 -10.884 -12.785 696 3HB ALA 85 3HB ALA 85 -2.156 -12.326 -13.824 697 H ASN 86 H ASN 86 0.618 -13.515 -13.698 698 HA ASN 86 HA ASN 86 2.652 -13.069 -14.528 699 1HB ASN 86 1HB ASN 86 1.256 -11.346 -15.652 700 2HB ASN 86 2HB ASN 86 1.691 -10.178 -14.401 701 1HD2 ASN 86 1HD2 ASN 86 3.417 -12.538 -16.580 702 2HD2 ASN 86 2HD2 ASN 86 4.643 -11.390 -17.077 703 H GLY 87 H GLY 87 2.734 -13.511 -11.793 704 1HA GLY 87 1HA GLY 87 4.196 -13.414 -10.048 705 2HA GLY 87 2HA GLY 87 5.335 -12.620 -11.144 706 H LYS 88 H LYS 88 2.142 -11.212 -10.325 707 HA LYS 88 HA LYS 88 3.248 -9.510 -8.237 708 1HB LYS 88 1HB LYS 88 2.714 -7.410 -9.380 709 2HB LYS 88 2HB LYS 88 4.021 -8.280 -10.191 710 1HG LYS 88 1HG LYS 88 2.506 -9.063 -11.915 711 2HG LYS 88 2HG LYS 88 1.113 -8.302 -11.126 712 1HD LYS 88 1HD LYS 88 3.561 -6.773 -12.096 713 2HD LYS 88 2HD LYS 88 2.137 -7.072 -13.104 714 1HE LYS 88 1HE LYS 88 0.692 -5.836 -11.605 715 2HE LYS 88 2HE LYS 88 1.991 -5.608 -10.426 716 1HZ LYS 88 1HZ LYS 88 1.657 -3.693 -11.797 717 2HZ LYS 88 2HZ LYS 88 3.169 -4.315 -12.005 718 3HZ LYS 88 3HZ LYS 88 2.015 -4.553 -13.157 719 H LEU 89 H LEU 89 1.647 -8.380 -7.068 720 HA LEU 89 HA LEU 89 -1.030 -9.539 -7.150 721 1HB LEU 89 1HB LEU 89 0.156 -7.202 -5.616 722 2HB LEU 89 2HB LEU 89 -1.521 -7.713 -5.476 723 HG LEU 89 HG LEU 89 -0.347 -8.530 -3.609 724 1HD1 LEU 89 1HD1 LEU 89 -0.887 -10.868 -3.644 725 2HD1 LEU 89 2HD1 LEU 89 -2.084 -10.020 -4.643 726 3HD1 LEU 89 3HD1 LEU 89 -0.773 -10.944 -5.409 727 1HD2 LEU 89 1HD2 LEU 89 1.550 -9.982 -3.632 728 2HD2 LEU 89 2HD2 LEU 89 1.558 -10.083 -5.395 729 3HD2 LEU 89 3HD2 LEU 89 1.946 -8.543 -4.586 730 H VAL 90 H VAL 90 -2.854 -8.656 -7.973 731 HA VAL 90 HA VAL 90 -2.867 -5.881 -8.993 732 HB VAL 90 HB VAL 90 -3.853 -8.330 -10.520 733 1HG1 VAL 90 1HG1 VAL 90 -4.592 -6.679 -12.240 734 2HG1 VAL 90 2HG1 VAL 90 -5.483 -6.479 -10.729 735 3HG1 VAL 90 3HG1 VAL 90 -4.171 -5.354 -11.137 736 1HG2 VAL 90 1HG2 VAL 90 -1.730 -6.258 -11.200 737 2HG2 VAL 90 2HG2 VAL 90 -1.457 -7.983 -10.857 738 3HG2 VAL 90 3HG2 VAL 90 -2.339 -7.501 -12.310 739 H THR 91 H THR 91 -4.592 -4.854 -8.135 740 HA THR 91 HA THR 91 -7.053 -6.294 -7.460 741 HB THR 91 HB THR 91 -6.862 -6.247 -5.240 742 HG1 THR 91 HG1 THR 91 -6.437 -4.416 -4.100 743 1HG2 THR 91 1HG2 THR 91 -4.634 -5.836 -4.128 744 2HG2 THR 91 2HG2 THR 91 -4.566 -7.027 -5.436 745 3HG2 THR 91 3HG2 THR 91 -3.964 -5.377 -5.679 746 H LYS 92 H LYS 92 -8.849 -4.915 -7.478 747 HA LYS 92 HA LYS 92 -8.546 -2.043 -7.785 748 1HB LYS 92 1HB LYS 92 -7.983 -2.867 -10.038 749 2HB LYS 92 2HB LYS 92 -9.527 -3.729 -10.129 750 1HG LYS 92 1HG LYS 92 -10.766 -1.619 -9.946 751 2HG LYS 92 2HG LYS 92 -9.270 -0.713 -9.681 752 1HD LYS 92 1HD LYS 92 -9.921 -2.277 -12.216 753 2HD LYS 92 2HD LYS 92 -10.257 -0.553 -11.978 754 1HE LYS 92 1HE LYS 92 -7.833 -0.134 -11.556 755 2HE LYS 92 2HE LYS 92 -7.483 -1.836 -11.911 756 1HZ LYS 92 1HZ LYS 92 -8.396 -1.503 -14.083 757 2HZ LYS 92 2HZ LYS 92 -8.688 0.088 -13.757 758 3HZ LYS 92 3HZ LYS 92 -7.138 -0.473 -13.801 759 H SER 93 H SER 93 -10.431 -0.980 -7.320 760 HA SER 93 HA SER 93 -12.831 -2.660 -6.665 761 1HB SER 93 1HB SER 93 -13.361 -1.081 -4.962 762 2HB SER 93 2HB SER 93 -11.694 -1.605 -4.724 763 HG SER 93 HG SER 93 -11.009 0.369 -5.663 764 H GLU 94 H GLU 94 -13.541 0.561 -6.551 765 HA GLU 94 HA GLU 94 -14.732 0.630 -9.287 766 1HB GLU 94 1HB GLU 94 -16.246 0.886 -7.383 767 2HB GLU 94 2HB GLU 94 -15.267 2.220 -6.754 768 1HG GLU 94 1HG GLU 94 -15.782 3.527 -8.837 769 2HG GLU 94 2HG GLU 94 -16.762 2.169 -9.422 770 HE2 GLU 94 HE2 GLU 94 -19.481 2.815 -7.359 771 H LYS 95 H LYS 95 -12.814 2.497 -6.901 772 HA LYS 95 HA LYS 95 -11.558 4.059 -9.107 773 1HB LYS 95 1HB LYS 95 -11.341 5.931 -7.514 774 2HB LYS 95 2HB LYS 95 -12.960 5.626 -8.125 775 1HG LYS 95 1HG LYS 95 -12.312 4.374 -5.473 776 2HG LYS 95 2HG LYS 95 -12.366 6.124 -5.511 777 1HD LYS 95 1HD LYS 95 -14.630 4.477 -6.678 778 2HD LYS 95 2HD LYS 95 -14.532 4.859 -4.950 779 1HE LYS 95 1HE LYS 95 -14.397 7.305 -5.532 780 2HE LYS 95 2HE LYS 95 -14.629 6.887 -7.237 781 1HZ LYS 95 1HZ LYS 95 -16.660 7.518 -6.201 782 2HZ LYS 95 2HZ LYS 95 -16.734 5.935 -6.660 783 3HZ LYS 95 3HZ LYS 95 -16.530 6.325 -5.073 784 H PHE 96 H PHE 96 -11.227 2.717 -5.813 785 HA PHE 96 HA PHE 96 -8.440 3.390 -5.604 786 1HB PHE 96 1HB PHE 96 -9.922 3.094 -3.645 787 2HB PHE 96 2HB PHE 96 -10.105 1.386 -4.025 788 HD1 PHE 96 HD1 PHE 96 -8.087 -0.161 -3.911 789 HD2 PHE 96 HD2 PHE 96 -8.029 3.884 -2.439 790 HE1 PHE 96 HE1 PHE 96 -6.291 -0.768 -2.325 791 HE2 PHE 96 HE2 PHE 96 -6.216 3.278 -0.847 792 HZ PHE 96 HZ PHE 96 -5.410 0.936 -0.727 793 H SER 97 H SER 97 -6.653 2.096 -5.992 794 HA SER 97 HA SER 97 -7.058 -0.645 -7.010 795 1HB SER 97 1HB SER 97 -5.420 1.397 -8.569 796 2HB SER 97 2HB SER 97 -5.775 -0.277 -9.016 797 HG SER 97 HG SER 97 -7.676 1.825 -8.767 798 H HIS 98 H HIS 98 -5.020 -1.812 -7.205 799 HA HIS 98 HA HIS 98 -2.704 -0.835 -5.676 800 1HB HIS 98 1HB HIS 98 -4.822 -2.531 -4.557 801 2HB HIS 98 2HB HIS 98 -3.304 -3.420 -4.623 802 HD1 HIS 98 HD1 HIS 98 -3.896 0.264 -3.733 803 HD2 HIS 98 HD2 HIS 98 -2.499 -3.362 -2.083 804 HE1 HIS 98 HE1 HIS 98 -3.018 0.780 -1.370 805 HE2 HIS 98 HE2 HIS 98 -2.155 -1.416 -0.369 806 H GLU 99 H GLU 99 -0.969 -1.471 -6.847 807 HA GLU 99 HA GLU 99 -0.955 -4.191 -8.027 808 1HB GLU 99 1HB GLU 99 -0.006 -1.697 -9.485 809 2HB GLU 99 2HB GLU 99 0.154 -3.373 -10.028 810 1HG GLU 99 1HG GLU 99 -2.394 -3.521 -9.965 811 2HG GLU 99 2HG GLU 99 -2.416 -1.774 -9.655 812 HE2 GLU 99 HE2 GLU 99 -1.524 -3.210 -13.326 813 H GLN 100 H GLN 100 0.596 -5.159 -6.867 814 HA GLN 100 HA GLN 100 3.027 -3.613 -6.034 815 1HB GLN 100 1HB GLN 100 1.442 -5.728 -4.525 816 2HB GLN 100 2HB GLN 100 3.092 -5.247 -4.133 817 1HG GLN 100 1HG GLN 100 1.592 -4.036 -2.701 818 2HG GLN 100 2HG GLN 100 2.408 -2.929 -3.796 819 1HE2 GLN 100 1HE2 GLN 100 0.975 -1.253 -4.121 820 2HE2 GLN 100 2HE2 GLN 100 -0.711 -1.447 -4.544 821 H GLU 101 H GLU 101 4.817 -4.309 -6.987 822 HA GLU 101 HA GLU 101 4.889 -7.009 -8.229 823 1HB GLU 101 1HB GLU 101 4.493 -5.237 -9.850 824 2HB GLU 101 2HB GLU 101 5.855 -4.304 -9.267 825 1HG GLU 101 1HG GLU 101 6.262 -7.133 -10.312 826 2HG GLU 101 2HG GLU 101 6.106 -5.771 -11.426 827 HE2 GLU 101 HE2 GLU 101 9.624 -6.098 -10.955 828 H VAL 102 H VAL 102 6.888 -8.016 -8.360 829 HA VAL 102 HA VAL 102 8.838 -7.261 -6.238 830 HB VAL 102 HB VAL 102 7.803 -9.953 -7.195 831 1HG1 VAL 102 1HG1 VAL 102 10.194 -10.240 -6.702 832 2HG1 VAL 102 2HG1 VAL 102 9.990 -9.382 -5.162 833 3HG1 VAL 102 3HG1 VAL 102 9.223 -10.956 -5.414 834 1HG2 VAL 102 1HG2 VAL 102 7.705 -8.683 -4.427 835 2HG2 VAL 102 2HG2 VAL 102 6.338 -8.695 -5.552 836 3HG2 VAL 102 3HG2 VAL 102 6.989 -10.217 -4.912 837 H LYS 103 H LYS 103 10.937 -7.217 -6.766 838 HA LYS 103 HA LYS 103 12.007 -8.827 -8.873 839 1HB LYS 103 1HB LYS 103 13.105 -7.059 -10.136 840 2HB LYS 103 2HB LYS 103 11.342 -7.038 -10.292 841 1HG LYS 103 1HG LYS 103 11.306 -5.178 -8.545 842 2HG LYS 103 2HG LYS 103 13.063 -5.083 -8.727 843 1HD LYS 103 1HD LYS 103 10.982 -4.627 -10.912 844 2HD LYS 103 2HD LYS 103 11.939 -3.411 -10.061 845 1HE LYS 103 1HE LYS 103 13.124 -3.595 -12.025 846 2HE LYS 103 2HE LYS 103 14.031 -4.691 -10.973 847 1HZ LYS 103 1HZ LYS 103 11.996 -5.431 -12.973 848 2HZ LYS 103 2HZ LYS 103 13.624 -5.632 -13.116 849 3HZ LYS 103 3HZ LYS 103 12.781 -6.505 -12.005 850 H GLY 104 H GLY 104 13.371 -9.835 -7.581 851 1HA GLY 104 1HA GLY 104 15.216 -10.261 -6.333 852 2HA GLY 104 2HA GLY 104 15.829 -8.682 -6.838 853 H ASN 105 H ASN 105 15.895 -7.061 -5.377 854 HA ASN 105 HA ASN 105 14.802 -7.497 -2.614 855 1HB ASN 105 1HB ASN 105 17.492 -6.370 -3.502 856 2HB ASN 105 2HB ASN 105 16.900 -6.433 -1.837 857 1HD2 ASN 105 1HD2 ASN 105 17.976 -8.451 -4.590 858 2HD2 ASN 105 2HD2 ASN 105 18.340 -9.860 -3.619 859 H GLU 106 H GLU 106 13.764 -5.902 -5.080 860 HA GLU 106 HA GLU 106 13.015 -3.739 -3.325 861 1HB GLU 106 1HB GLU 106 13.326 -1.986 -4.978 862 2HB GLU 106 2HB GLU 106 14.879 -2.764 -4.632 863 1HG GLU 106 1HG GLU 106 14.593 -4.124 -6.742 864 2HG GLU 106 2HG GLU 106 13.111 -3.209 -7.082 865 HE2 GLU 106 HE2 GLU 106 15.517 -1.528 -9.064 866 H MET 107 H MET 107 10.971 -3.162 -3.468 867 HA MET 107 HA MET 107 9.208 -4.744 -5.256 868 1HB MET 107 1HB MET 107 8.478 -3.099 -2.809 869 2HB MET 107 2HB MET 107 7.503 -4.325 -3.607 870 1HG MET 107 1HG MET 107 10.066 -4.850 -2.068 871 2HG MET 107 2HG MET 107 8.436 -5.003 -1.438 872 1HE MET 107 1HE MET 107 10.389 -6.903 -4.760 873 2HE MET 107 2HE MET 107 11.271 -6.380 -3.325 874 3HE MET 107 3HE MET 107 10.858 -8.086 -3.527 875 H VAL 108 H VAL 108 8.128 -3.608 -6.862 876 HA VAL 108 HA VAL 108 8.159 -0.612 -6.758 877 HB VAL 108 HB VAL 108 7.670 -2.472 -9.124 878 1HG1 VAL 108 1HG1 VAL 108 6.514 -0.312 -9.381 879 2HG1 VAL 108 2HG1 VAL 108 8.017 0.554 -8.993 880 3HG1 VAL 108 3HG1 VAL 108 7.900 -0.418 -10.475 881 1HG2 VAL 108 1HG2 VAL 108 10.030 -2.593 -8.413 882 2HG2 VAL 108 2HG2 VAL 108 9.886 -1.681 -9.920 883 3HG2 VAL 108 3HG2 VAL 108 10.127 -0.821 -8.385 884 H GLU 109 H GLU 109 6.216 0.295 -6.172 885 HA GLU 109 HA GLU 109 3.750 -1.319 -6.563 886 1HB GLU 109 1HB GLU 109 3.030 -0.774 -4.295 887 2HB GLU 109 2HB GLU 109 4.469 -1.813 -4.329 888 1HG GLU 109 1HG GLU 109 5.891 0.192 -3.875 889 2HG GLU 109 2HG GLU 109 4.421 1.183 -3.776 890 HE2 GLU 109 HE2 GLU 109 5.612 0.088 -0.433 891 H THR 110 H THR 110 1.932 -0.259 -6.983 892 HA THR 110 HA THR 110 1.895 2.672 -6.735 893 HB THR 110 HB THR 110 2.529 2.253 -9.040 894 HG1 THR 110 HG1 THR 110 -0.181 3.064 -8.787 895 1HG2 THR 110 1HG2 THR 110 1.555 0.013 -9.392 896 2HG2 THR 110 2HG2 THR 110 -0.088 0.709 -9.320 897 3HG2 THR 110 3HG2 THR 110 1.019 1.164 -10.628 898 H ILE 111 H ILE 111 -0.030 3.531 -6.315 899 HA ILE 111 HA ILE 111 -2.315 1.735 -5.645 900 HB ILE 111 HB ILE 111 -1.101 3.950 -3.930 901 1HG1 ILE 111 1HG1 ILE 111 -1.052 2.063 -2.186 902 2HG1 ILE 111 2HG1 ILE 111 -1.143 0.938 -3.547 903 1HG2 ILE 111 1HG2 ILE 111 -2.863 3.363 -2.277 904 2HG2 ILE 111 2HG2 ILE 111 -3.505 4.072 -3.747 905 3HG2 ILE 111 3HG2 ILE 111 -3.620 2.321 -3.496 906 1HD1 ILE 111 1HD1 ILE 111 1.060 1.587 -4.270 907 2HD1 ILE 111 2HD1 ILE 111 1.000 3.091 -3.333 908 3HD1 ILE 111 3HD1 ILE 111 1.148 1.521 -2.517 909 H THR 112 H THR 112 -4.312 2.696 -6.097 910 HA THR 112 HA THR 112 -4.319 5.584 -6.883 911 HB THR 112 HB THR 112 -6.249 3.458 -7.858 912 HG1 THR 112 HG1 THR 112 -4.111 4.775 -9.183 913 1HG2 THR 112 1HG2 THR 112 -7.262 5.700 -7.785 914 2HG2 THR 112 2HG2 THR 112 -5.867 6.375 -8.657 915 3HG2 THR 112 3HG2 THR 112 -6.943 5.212 -9.453 916 H PHE 113 H PHE 113 -5.846 6.830 -5.876 917 HA PHE 113 HA PHE 113 -7.880 5.648 -4.120 918 1HB PHE 113 1HB PHE 113 -5.923 6.023 -2.636 919 2HB PHE 113 2HB PHE 113 -5.829 7.698 -3.165 920 HD1 PHE 113 HD1 PHE 113 -7.689 9.327 -2.554 921 HD2 PHE 113 HD2 PHE 113 -7.387 5.386 -0.830 922 HE1 PHE 113 HE1 PHE 113 -9.392 9.927 -0.866 923 HE2 PHE 113 HE2 PHE 113 -9.105 5.988 0.842 924 HZ PHE 113 HZ PHE 113 -10.140 8.248 0.806 925 H GLY 114 H GLY 114 -9.614 6.484 -5.185 926 1HA GLY 114 1HA GLY 114 -11.026 7.996 -6.177 927 2HA GLY 114 2HA GLY 114 -10.203 9.249 -5.236 928 H GLY 115 H GLY 115 -9.498 10.837 -6.568 929 1HA GLY 115 1HA GLY 115 -8.534 10.229 -9.330 930 2HA GLY 115 2HA GLY 115 -9.081 11.789 -8.709 931 H VAL 116 H VAL 116 -6.946 9.727 -6.777 932 HA VAL 116 HA VAL 116 -4.558 11.355 -7.508 933 HB VAL 116 HB VAL 116 -5.488 10.512 -4.724 934 1HG1 VAL 116 1HG1 VAL 116 -3.083 10.192 -4.808 935 2HG1 VAL 116 2HG1 VAL 116 -2.856 11.749 -5.637 936 3HG1 VAL 116 3HG1 VAL 116 -3.415 11.700 -3.958 937 1HG2 VAL 116 1HG2 VAL 116 -5.001 13.246 -5.989 938 2HG2 VAL 116 2HG2 VAL 116 -6.581 12.569 -5.539 939 3HG2 VAL 116 3HG2 VAL 116 -5.399 12.959 -4.284 940 H THR 117 H THR 117 -2.657 10.194 -7.578 941 HA THR 117 HA THR 117 -2.793 7.239 -7.232 942 HB THR 117 HB THR 117 -1.478 8.826 -9.473 943 HG1 THR 117 HG1 THR 117 -3.732 8.432 -9.646 944 1HG2 THR 117 1HG2 THR 117 -0.018 6.938 -8.903 945 2HG2 THR 117 2HG2 THR 117 -1.409 5.829 -8.907 946 3HG2 THR 117 3HG2 THR 117 -0.875 6.607 -10.411 947 H LEU 118 H LEU 118 -0.873 6.322 -6.453 948 HA LEU 118 HA LEU 118 1.278 8.163 -5.536 949 1HB LEU 118 1HB LEU 118 0.275 5.669 -4.099 950 2HB LEU 118 2HB LEU 118 1.626 6.699 -3.656 951 HG LEU 118 HG LEU 118 -0.119 8.607 -3.405 952 1HD1 LEU 118 1HD1 LEU 118 -1.962 6.156 -3.320 953 2HD1 LEU 118 2HD1 LEU 118 -2.375 7.742 -2.659 954 3HD1 LEU 118 3HD1 LEU 118 -2.146 7.560 -4.388 955 1HD2 LEU 118 1HD2 LEU 118 1.083 7.534 -1.552 956 2HD2 LEU 118 2HD2 LEU 118 -0.601 7.796 -1.094 957 3HD2 LEU 118 3HD2 LEU 118 -0.067 6.177 -1.560 958 H ILE 119 H ILE 119 3.264 7.463 -6.281 959 HA ILE 119 HA ILE 119 3.510 4.614 -7.130 960 HB ILE 119 HB ILE 119 4.801 5.151 -8.999 961 1HG1 ILE 119 1HG1 ILE 119 4.820 7.702 -9.751 962 2HG1 ILE 119 2HG1 ILE 119 4.824 8.008 -8.017 963 1HG2 ILE 119 1HG2 ILE 119 2.432 7.042 -9.146 964 2HG2 ILE 119 2HG2 ILE 119 3.178 6.117 -10.462 965 3HG2 ILE 119 3HG2 ILE 119 2.293 5.271 -9.185 966 1HD1 ILE 119 1HD1 ILE 119 7.111 7.910 -9.053 967 2HD1 ILE 119 2HD1 ILE 119 6.939 6.615 -7.860 968 3HD1 ILE 119 3HD1 ILE 119 6.791 6.251 -9.585 969 H ARG 120 H ARG 120 5.173 3.595 -6.054 970 HA ARG 120 HA ARG 120 7.436 5.110 -5.137 971 1HB ARG 120 1HB ARG 120 7.148 4.861 -2.762 972 2HB ARG 120 2HB ARG 120 5.779 5.773 -3.399 973 1HG ARG 120 1HG ARG 120 4.361 3.769 -3.237 974 2HG ARG 120 2HG ARG 120 5.757 2.828 -2.650 975 1HD ARG 120 1HD ARG 120 6.031 4.338 -0.741 976 2HD ARG 120 2HD ARG 120 4.683 5.338 -1.275 977 HE ARG 120 HE ARG 120 4.642 2.754 0.081 978 1HH1 ARG 120 1HH1 ARG 120 2.720 5.013 -1.878 979 2HH1 ARG 120 2HH1 ARG 120 1.187 4.404 -1.305 980 1HH2 ARG 120 1HH2 ARG 120 2.604 1.933 0.784 981 2HH2 ARG 120 2HH2 ARG 120 1.123 2.661 0.219 982 H ARG 121 H ARG 121 8.860 3.764 -3.734 983 HA ARG 121 HA ARG 121 8.855 0.943 -4.661 984 1HB ARG 121 1HB ARG 121 11.132 2.938 -4.952 985 2HB ARG 121 2HB ARG 121 11.167 1.212 -5.386 986 1HG ARG 121 1HG ARG 121 9.338 1.655 -7.057 987 2HG ARG 121 2HG ARG 121 9.463 3.389 -6.678 988 1HD ARG 121 1HD ARG 121 11.838 3.375 -7.333 989 2HD ARG 121 2HD ARG 121 11.709 1.653 -7.762 990 HE ARG 121 HE ARG 121 9.681 3.051 -9.149 991 1HH1 ARG 121 1HH1 ARG 121 13.224 2.823 -9.109 992 2HH1 ARG 121 2HH1 ARG 121 13.400 3.275 -10.785 993 1HH2 ARG 121 1HH2 ARG 121 9.933 3.638 -11.365 994 2HH2 ARG 121 2HH2 ARG 121 11.527 3.734 -12.067 995 H SER 122 H SER 122 9.586 -0.447 -3.193 996 HA SER 122 HA SER 122 10.911 0.586 -0.724 997 1HB SER 122 1HB SER 122 9.132 -1.869 -1.031 998 2HB SER 122 2HB SER 122 9.928 -1.344 0.458 999 HG SER 122 HG SER 122 8.673 0.522 0.417 1000 H LYS 123 H LYS 123 12.335 -0.886 0.309 1001 HA LYS 123 HA LYS 123 13.769 -2.776 -1.511 1002 1HB LYS 123 1HB LYS 123 14.867 -0.531 0.186 1003 2HB LYS 123 2HB LYS 123 15.835 -1.979 -0.166 1004 1HG LYS 123 1HG LYS 123 15.571 -1.704 -2.548 1005 2HG LYS 123 2HG LYS 123 14.479 -0.324 -2.334 1006 1HD LYS 123 1HD LYS 123 16.273 1.007 -1.365 1007 2HD LYS 123 2HD LYS 123 17.379 -0.386 -1.389 1008 1HE LYS 123 1HE LYS 123 17.262 -0.490 -3.848 1009 2HE LYS 123 2HE LYS 123 16.070 0.818 -3.874 1010 1HZ LYS 123 1HZ LYS 123 18.842 1.028 -2.948 1011 2HZ LYS 123 2HZ LYS 123 18.222 1.626 -4.357 1012 3HZ LYS 123 3HZ LYS 123 17.728 2.247 -2.910 1013 H ARG 124 H ARG 124 14.602 -4.634 -0.540 1014 HA ARG 124 HA ARG 124 13.177 -5.671 1.660 1015 1HB ARG 124 1HB ARG 124 14.315 -6.911 -0.260 1016 2HB ARG 124 2HB ARG 124 15.843 -6.677 0.592 1017 1HG ARG 124 1HG ARG 124 14.769 -7.757 2.618 1018 2HG ARG 124 2HG ARG 124 13.350 -8.118 1.623 1019 1HD ARG 124 1HD ARG 124 16.201 -9.096 1.140 1020 2HD ARG 124 2HD ARG 124 14.877 -10.042 1.848 1021 HE ARG 124 HE ARG 124 14.086 -9.041 -0.714 1022 1HH1 ARG 124 1HH1 ARG 124 16.221 -11.449 0.783 1023 2HH1 ARG 124 2HH1 ARG 124 16.226 -12.505 -0.605 1024 1HH2 ARG 124 1HH2 ARG 124 14.174 -10.416 -2.583 1025 2HH2 ARG 124 2HH2 ARG 124 15.035 -11.930 -2.502 1026 H VAL 125 H VAL 125 13.335 -4.848 3.686 1027 HA VAL 125 HA VAL 125 15.960 -4.622 5.009 1028 HB VAL 125 HB VAL 125 13.955 -2.328 4.763 1029 1HG1 VAL 125 1HG1 VAL 125 15.527 -1.084 6.228 1030 2HG1 VAL 125 2HG1 VAL 125 14.831 -2.467 7.072 1031 3HG1 VAL 125 3HG1 VAL 125 16.489 -2.563 6.442 1032 1HG2 VAL 125 1HG2 VAL 125 16.872 -2.519 3.899 1033 2HG2 VAL 125 2HG2 VAL 125 15.464 -2.377 2.822 1034 3HG2 VAL 125 3HG2 VAL 125 15.891 -1.040 3.887 Start of MODEL 8 1 1H ALA 1 1H ALA 1 6.287 -16.434 -0.943 2 2H ALA 1 2H ALA 1 7.185 -15.292 -0.158 3 3H ALA 1 3H ALA 1 5.565 -15.102 -0.291 4 HA ALA 1 HA ALA 1 7.424 -15.146 -2.547 5 1HB ALA 1 1HB ALA 1 4.433 -14.567 -2.430 6 2HB ALA 1 2HB ALA 1 5.466 -14.329 -3.857 7 3HB ALA 1 3HB ALA 1 5.229 -15.955 -3.185 8 H PHE 2 H PHE 2 4.930 -12.867 -1.439 9 HA PHE 2 HA PHE 2 6.716 -10.551 -1.547 10 1HB PHE 2 1HB PHE 2 3.876 -11.000 -0.562 11 2HB PHE 2 2HB PHE 2 4.696 -9.444 -0.496 12 HD1 PHE 2 HD1 PHE 2 3.411 -12.053 -2.853 13 HD2 PHE 2 HD2 PHE 2 4.901 -8.029 -2.409 14 HE1 PHE 2 HE1 PHE 2 2.964 -11.619 -5.250 15 HE2 PHE 2 HE2 PHE 2 4.370 -7.575 -4.777 16 HZ PHE 2 HZ PHE 2 3.498 -9.400 -6.236 17 H SER 3 H SER 3 5.907 -13.045 0.716 18 HA SER 3 HA SER 3 6.073 -11.904 3.191 19 1HB SER 3 1HB SER 3 6.894 -14.194 3.870 20 2HB SER 3 2HB SER 3 5.448 -14.166 2.836 21 HG SER 3 HG SER 3 8.086 -14.498 1.870 22 H GLY 4 H GLY 4 7.597 -10.654 4.108 23 1HA GLY 4 1HA GLY 4 10.281 -11.166 4.500 24 2HA GLY 4 2HA GLY 4 10.205 -10.270 2.962 25 H THR 5 H THR 5 11.519 -8.929 4.682 26 HA THR 5 HA THR 5 9.708 -6.895 5.902 27 HB THR 5 HB THR 5 12.531 -7.597 6.769 28 HG1 THR 5 HG1 THR 5 11.377 -8.566 8.537 29 1HG2 THR 5 1HG2 THR 5 10.301 -6.011 8.130 30 2HG2 THR 5 2HG2 THR 5 11.967 -6.206 8.710 31 3HG2 THR 5 3HG2 THR 5 11.643 -5.259 7.251 32 H TRP 6 H TRP 6 9.928 -4.899 5.168 33 HA TRP 6 HA TRP 6 11.959 -4.260 3.082 34 1HB TRP 6 1HB TRP 6 8.937 -3.896 2.956 35 2HB TRP 6 2HB TRP 6 10.100 -3.373 1.737 36 HD1 TRP 6 HD1 TRP 6 8.392 -6.488 3.088 37 HE1 TRP 6 HE1 TRP 6 8.829 -8.501 1.509 38 HE3 TRP 6 HE3 TRP 6 11.679 -4.287 -0.134 39 HZ2 TRP 6 HZ2 TRP 6 10.521 -9.090 -0.731 40 HZ3 TRP 6 HZ3 TRP 6 12.695 -5.588 -1.971 41 HH2 TRP 6 HH2 TRP 6 12.218 -8.013 -2.214 42 H GLN 7 H GLN 7 12.510 -2.085 2.962 43 HA GLN 7 HA GLN 7 11.303 -0.229 4.963 44 1HB GLN 7 1HB GLN 7 13.562 -0.823 5.639 45 2HB GLN 7 2HB GLN 7 14.190 -0.482 4.021 46 1HG GLN 7 1HG GLN 7 14.641 1.328 5.681 47 2HG GLN 7 2HG GLN 7 13.753 1.891 4.266 48 1HE2 GLN 7 1HE2 GLN 7 11.819 2.969 4.598 49 2HE2 GLN 7 2HE2 GLN 7 10.953 3.012 6.122 50 H VAL 8 H VAL 8 10.174 1.259 3.960 51 HA VAL 8 HA VAL 8 10.088 1.789 1.207 52 HB VAL 8 HB VAL 8 9.378 3.554 3.587 53 1HG1 VAL 8 1HG1 VAL 8 9.659 4.973 1.563 54 2HG1 VAL 8 2HG1 VAL 8 8.583 3.887 0.655 55 3HG1 VAL 8 3HG1 VAL 8 7.962 4.828 2.025 56 1HG2 VAL 8 1HG2 VAL 8 7.637 1.831 1.762 57 2HG2 VAL 8 2HG2 VAL 8 8.089 1.420 3.426 58 3HG2 VAL 8 3HG2 VAL 8 7.069 2.832 3.110 59 H TYR 9 H TYR 9 11.363 2.804 -0.113 60 HA TYR 9 HA TYR 9 13.883 3.966 0.900 61 1HB TYR 9 1HB TYR 9 13.723 1.873 -0.542 62 2HB TYR 9 2HB TYR 9 13.185 2.905 -1.859 63 HD1 TYR 9 HD1 TYR 9 15.976 2.140 0.490 64 HD2 TYR 9 HD2 TYR 9 14.820 4.192 -3.124 65 HE1 TYR 9 HE1 TYR 9 18.360 2.539 -0.045 66 HE2 TYR 9 HE2 TYR 9 17.210 4.549 -3.680 67 HH TYR 9 HH TYR 9 19.858 3.483 -1.513 68 H ALA 10 H ALA 10 11.251 4.508 -1.485 69 HA ALA 10 HA ALA 10 11.524 7.397 -1.125 70 1HB ALA 10 1HB ALA 10 11.721 6.151 -3.904 71 2HB ALA 10 2HB ALA 10 11.602 7.883 -3.534 72 3HB ALA 10 3HB ALA 10 13.040 6.971 -3.043 73 H GLN 11 H GLN 11 9.627 8.534 -1.867 74 HA GLN 11 HA GLN 11 7.246 6.983 -2.531 75 1HB GLN 11 1HB GLN 11 6.036 7.700 -0.489 76 2HB GLN 11 2HB GLN 11 7.390 6.614 -0.154 77 1HG GLN 11 1HG GLN 11 8.794 8.641 0.455 78 2HG GLN 11 2HG GLN 11 7.341 9.635 0.254 79 1HE2 GLN 11 1HE2 GLN 11 7.705 10.280 2.502 80 2HE2 GLN 11 2HE2 GLN 11 7.183 9.221 3.798 81 H GLU 12 H GLU 12 6.055 8.131 -3.934 82 HA GLU 12 HA GLU 12 6.486 11.063 -4.083 83 1HB GLU 12 1HB GLU 12 6.659 9.106 -6.384 84 2HB GLU 12 2HB GLU 12 6.882 10.857 -6.452 85 1HG GLU 12 1HG GLU 12 8.887 10.638 -4.979 86 2HG GLU 12 2HG GLU 12 8.673 8.877 -4.961 87 HE2 GLU 12 HE2 GLU 12 10.008 10.667 -8.340 88 H ASN 13 H ASN 13 4.890 12.259 -4.737 89 HA ASN 13 HA ASN 13 2.864 13.056 -4.960 90 1HB ASN 13 1HB ASN 13 2.966 11.628 -7.104 91 2HB ASN 13 2HB ASN 13 1.891 10.508 -6.265 92 1HD2 ASN 13 1HD2 ASN 13 0.781 11.276 -8.462 93 2HD2 ASN 13 2HD2 ASN 13 -0.328 12.621 -8.299 94 H TYR 14 H TYR 14 3.692 11.110 -2.733 95 HA TYR 14 HA TYR 14 1.250 9.920 -1.753 96 1HB TYR 14 1HB TYR 14 3.358 8.805 -1.470 97 2HB TYR 14 2HB TYR 14 4.081 10.227 -0.727 98 HD1 TYR 14 HD1 TYR 14 4.765 9.545 1.398 99 HD2 TYR 14 HD2 TYR 14 0.796 8.498 0.059 100 HE1 TYR 14 HE1 TYR 14 4.319 8.443 3.565 101 HE2 TYR 14 HE2 TYR 14 0.344 7.432 2.239 102 HH TYR 14 HH TYR 14 1.183 6.883 4.316 103 H GLU 15 H GLU 15 3.407 12.583 -0.647 104 HA GLU 15 HA GLU 15 1.836 13.472 1.521 105 1HB GLU 15 1HB GLU 15 3.061 15.589 1.276 106 2HB GLU 15 2HB GLU 15 4.121 14.176 1.190 107 1HG GLU 15 1HG GLU 15 4.187 14.406 -1.310 108 2HG GLU 15 2HG GLU 15 3.222 15.888 -1.171 109 HE2 GLU 15 HE2 GLU 15 5.807 17.823 0.158 110 H GLU 16 H GLU 16 1.804 14.444 -1.891 111 HA GLU 16 HA GLU 16 -0.194 16.417 -1.809 112 1HB GLU 16 1HB GLU 16 1.398 16.057 -3.632 113 2HB GLU 16 2HB GLU 16 0.672 14.484 -3.977 114 1HG GLU 16 1HG GLU 16 -1.453 15.590 -4.619 115 2HG GLU 16 2HG GLU 16 -0.759 17.171 -4.215 116 HE2 GLU 16 HE2 GLU 16 -0.468 16.238 -7.875 117 H PHE 17 H PHE 17 -0.423 12.870 -2.495 118 HA PHE 17 HA PHE 17 -3.203 12.716 -2.851 119 1HB PHE 17 1HB PHE 17 -1.925 10.819 -3.400 120 2HB PHE 17 2HB PHE 17 -1.102 10.791 -1.854 121 HD1 PHE 17 HD1 PHE 17 -4.517 10.342 -3.348 122 HD2 PHE 17 HD2 PHE 17 -1.898 9.513 -0.025 123 HE1 PHE 17 HE1 PHE 17 -6.294 8.999 -2.256 124 HE2 PHE 17 HE2 PHE 17 -3.662 8.124 1.020 125 HZ PHE 17 HZ PHE 17 -5.851 7.832 -0.118 126 H LEU 18 H LEU 18 -1.360 12.303 0.235 127 HA LEU 18 HA LEU 18 -3.659 11.854 1.831 128 1HB LEU 18 1HB LEU 18 -1.014 13.164 2.562 129 2HB LEU 18 2HB LEU 18 -2.229 12.621 3.728 130 HG LEU 18 HG LEU 18 -0.918 10.694 1.784 131 1HD1 LEU 18 1HD1 LEU 18 -0.110 11.439 4.621 132 2HD1 LEU 18 2HD1 LEU 18 0.566 10.098 3.677 133 3HD1 LEU 18 3HD1 LEU 18 0.828 11.766 3.146 134 1HD2 LEU 18 1HD2 LEU 18 -1.636 9.021 3.421 135 2HD2 LEU 18 2HD2 LEU 18 -2.353 10.280 4.445 136 3HD2 LEU 18 3HD2 LEU 18 -3.045 9.925 2.848 137 H LYS 19 H LYS 19 -2.044 14.912 0.889 138 HA LYS 19 HA LYS 19 -3.691 16.616 2.414 139 1HB LYS 19 1HB LYS 19 -1.505 17.217 1.382 140 2HB LYS 19 2HB LYS 19 -2.268 17.213 -0.214 141 1HG LYS 19 1HG LYS 19 -3.763 19.036 0.454 142 2HG LYS 19 2HG LYS 19 -3.128 18.984 2.114 143 1HD LYS 19 1HD LYS 19 -0.854 19.535 1.234 144 2HD LYS 19 2HD LYS 19 -1.526 19.673 -0.399 145 1HE LYS 19 1HE LYS 19 -2.353 21.368 2.013 146 2HE LYS 19 2HE LYS 19 -1.218 21.873 0.753 147 1HZ LYS 19 1HZ LYS 19 -4.038 21.200 0.310 148 2HZ LYS 19 2HZ LYS 19 -3.395 22.715 0.359 149 3HZ LYS 19 3HZ LYS 19 -2.964 21.679 -0.846 150 H ALA 20 H ALA 20 -4.104 15.204 -0.829 151 HA ALA 20 HA ALA 20 -6.503 16.680 -1.469 152 1HB ALA 20 1HB ALA 20 -5.006 15.727 -3.188 153 2HB ALA 20 2HB ALA 20 -5.412 14.088 -2.636 154 3HB ALA 20 3HB ALA 20 -6.665 15.121 -3.340 155 H LEU 21 H LEU 21 -5.864 13.872 0.587 156 HA LEU 21 HA LEU 21 -8.330 12.585 0.034 157 1HB LEU 21 1HB LEU 21 -6.197 11.513 0.839 158 2HB LEU 21 2HB LEU 21 -6.479 12.235 2.428 159 HG LEU 21 HG LEU 21 -8.647 10.970 2.577 160 1HD1 LEU 21 1HD1 LEU 21 -7.643 9.767 -0.035 161 2HD1 LEU 21 2HD1 LEU 21 -8.924 9.055 0.974 162 3HD1 LEU 21 3HD1 LEU 21 -9.178 10.628 0.218 163 1HD2 LEU 21 1HD2 LEU 21 -7.515 8.744 2.878 164 2HD2 LEU 21 2HD2 LEU 21 -6.084 9.403 2.060 165 3HD2 LEU 21 3HD2 LEU 21 -6.619 10.093 3.606 166 H ALA 22 H ALA 22 -7.187 14.338 2.934 167 HA ALA 22 HA ALA 22 -9.623 15.675 3.499 168 1HB ALA 22 1HB ALA 22 -10.560 13.484 4.111 169 2HB ALA 22 2HB ALA 22 -9.132 13.121 5.106 170 3HB ALA 22 3HB ALA 22 -10.254 14.411 5.586 171 H LEU 23 H LEU 23 -6.794 14.066 4.925 172 HA LEU 23 HA LEU 23 -6.397 15.630 7.170 173 1HB LEU 23 1HB LEU 23 -4.417 14.281 5.312 174 2HB LEU 23 2HB LEU 23 -3.967 14.924 6.902 175 HG LEU 23 HG LEU 23 -6.068 12.748 6.507 176 1HD1 LEU 23 1HD1 LEU 23 -3.098 12.544 7.171 177 2HD1 LEU 23 2HD1 LEU 23 -4.261 11.203 7.246 178 3HD1 LEU 23 3HD1 LEU 23 -3.895 11.968 5.692 179 1HD2 LEU 23 1HD2 LEU 23 -5.580 12.353 8.938 180 2HD2 LEU 23 2HD2 LEU 23 -4.557 13.804 8.943 181 3HD2 LEU 23 3HD2 LEU 23 -6.305 13.938 8.644 182 HA PRO 24 HA PRO 24 -5.004 19.494 5.266 183 1HB PRO 24 1HB PRO 24 -4.402 20.947 7.471 184 2HB PRO 24 2HB PRO 24 -6.079 20.428 7.139 185 1HG PRO 24 1HG PRO 24 -4.053 19.066 8.937 186 2HG PRO 24 2HG PRO 24 -5.726 19.545 9.350 187 1HD PRO 24 1HD PRO 24 -5.084 17.015 8.509 188 2HD PRO 24 2HD PRO 24 -6.642 17.779 8.072 189 H GLU 25 H GLU 25 -3.055 20.884 5.304 190 HA GLU 25 HA GLU 25 -0.675 19.706 4.676 191 1HB GLU 25 1HB GLU 25 -1.401 22.066 4.316 192 2HB GLU 25 2HB GLU 25 -1.021 22.414 6.014 193 1HG GLU 25 1HG GLU 25 1.356 21.767 5.590 194 2HG GLU 25 2HG GLU 25 0.946 21.403 3.905 195 HE2 GLU 25 HE2 GLU 25 2.375 24.732 3.916 196 H ASP 26 H ASP 26 -1.778 20.656 7.936 197 HA ASP 26 HA ASP 26 0.745 20.478 9.215 198 1HB ASP 26 1HB ASP 26 -2.074 20.288 10.373 199 2HB ASP 26 2HB ASP 26 -0.600 20.714 11.253 200 HD2 ASP 26 HD2 ASP 26 -0.470 23.992 9.953 201 H LEU 27 H LEU 27 -1.984 18.142 8.948 202 HA LEU 27 HA LEU 27 -0.559 16.228 10.656 203 1HB LEU 27 1HB LEU 27 -3.144 15.897 9.118 204 2HB LEU 27 2HB LEU 27 -2.475 14.787 10.321 205 HG LEU 27 HG LEU 27 -3.479 17.620 10.840 206 1HD1 LEU 27 1HD1 LEU 27 -5.212 15.851 10.528 207 2HD1 LEU 27 2HD1 LEU 27 -4.450 14.900 11.819 208 3HD1 LEU 27 3HD1 LEU 27 -5.180 16.477 12.183 209 1HD2 LEU 27 1HD2 LEU 27 -1.577 17.254 12.347 210 2HD2 LEU 27 2HD2 LEU 27 -3.079 17.084 13.256 211 3HD2 LEU 27 3HD2 LEU 27 -2.181 15.634 12.764 212 H ILE 28 H ILE 28 -1.099 16.668 7.145 213 HA ILE 28 HA ILE 28 0.004 14.078 6.502 214 HB ILE 28 HB ILE 28 0.130 14.731 4.250 215 1HG1 ILE 28 1HG1 ILE 28 -0.850 17.090 3.668 216 2HG1 ILE 28 2HG1 ILE 28 -0.200 17.557 5.242 217 1HG2 ILE 28 1HG2 ILE 28 -2.393 15.887 5.471 218 2HG2 ILE 28 2HG2 ILE 28 -2.196 15.143 3.887 219 3HG2 ILE 28 3HG2 ILE 28 -2.027 14.155 5.352 220 1HD1 ILE 28 1HD1 ILE 28 1.379 16.268 2.963 221 2HD1 ILE 28 2HD1 ILE 28 1.340 18.007 3.320 222 3HD1 ILE 28 3HD1 ILE 28 2.076 16.889 4.473 223 H LYS 29 H LYS 29 1.514 17.062 7.497 224 HA LYS 29 HA LYS 29 4.140 16.715 6.656 225 1HB LYS 29 1HB LYS 29 3.053 18.550 8.012 226 2HB LYS 29 2HB LYS 29 3.290 17.525 9.445 227 1HG LYS 29 1HG LYS 29 5.733 17.493 8.997 228 2HG LYS 29 2HG LYS 29 5.491 18.546 7.593 229 1HD LYS 29 1HD LYS 29 4.721 19.236 10.470 230 2HD LYS 29 2HD LYS 29 6.220 19.735 9.670 231 1HE LYS 29 1HE LYS 29 4.797 20.897 7.905 232 2HE LYS 29 2HE LYS 29 3.374 20.550 8.905 233 1HZ LYS 29 1HZ LYS 29 5.691 22.119 9.765 234 2HZ LYS 29 2HZ LYS 29 4.231 22.723 9.303 235 3HZ LYS 29 3HZ LYS 29 4.345 21.801 10.664 236 H MET 30 H MET 30 2.290 14.833 9.078 237 HA MET 30 HA MET 30 4.476 13.607 10.401 238 1HB MET 30 1HB MET 30 2.153 13.664 11.252 239 2HB MET 30 2HB MET 30 1.649 12.560 9.954 240 1HG MET 30 1HG MET 30 3.024 10.775 10.835 241 2HG MET 30 2HG MET 30 3.810 11.874 11.968 242 1HE MET 30 1HE MET 30 -0.238 11.605 11.386 243 2HE MET 30 2HE MET 30 0.566 10.079 10.939 244 3HE MET 30 3HE MET 30 -0.448 10.160 12.398 245 H ALA 31 H ALA 31 2.952 12.939 7.291 246 HA ALA 31 HA ALA 31 4.319 10.314 7.012 247 1HB ALA 31 1HB ALA 31 2.211 11.694 5.320 248 2HB ALA 31 2HB ALA 31 2.805 10.030 5.121 249 3HB ALA 31 3HB ALA 31 1.885 10.475 6.573 250 H ARG 32 H ARG 32 4.096 13.557 5.667 251 HA ARG 32 HA ARG 32 5.108 13.352 3.195 252 1HB ARG 32 1HB ARG 32 4.134 15.328 4.315 253 2HB ARG 32 2HB ARG 32 5.660 15.635 5.147 254 1HG ARG 32 1HG ARG 32 5.860 15.409 2.172 255 2HG ARG 32 2HG ARG 32 4.783 16.686 2.746 256 1HD ARG 32 1HD ARG 32 6.799 17.754 2.437 257 2HD ARG 32 2HD ARG 32 6.690 17.543 4.193 258 HE ARG 32 HE ARG 32 8.087 15.325 3.100 259 1HH1 ARG 32 1HH1 ARG 32 8.553 18.840 3.355 260 2HH1 ARG 32 2HH1 ARG 32 10.292 18.731 3.379 261 1HH2 ARG 32 1HH2 ARG 32 10.364 15.198 3.196 262 2HH2 ARG 32 2HH2 ARG 32 11.328 16.650 3.281 263 H ASP 33 H ASP 33 7.080 13.375 6.152 264 HA ASP 33 HA ASP 33 9.597 13.247 4.530 265 1HB ASP 33 1HB ASP 33 9.214 15.345 5.846 266 2HB ASP 33 2HB ASP 33 9.118 14.372 7.317 267 HD2 ASP 33 HD2 ASP 33 12.742 14.601 5.461 268 H ILE 34 H ILE 34 7.586 11.153 6.015 269 HA ILE 34 HA ILE 34 9.668 9.727 7.632 270 HB ILE 34 HB ILE 34 6.703 10.171 7.934 271 1HG1 ILE 34 1HG1 ILE 34 7.301 10.572 10.308 272 2HG1 ILE 34 2HG1 ILE 34 8.998 10.240 9.960 273 1HG2 ILE 34 1HG2 ILE 34 6.900 7.732 8.135 274 2HG2 ILE 34 2HG2 ILE 34 8.238 7.926 9.293 275 3HG2 ILE 34 3HG2 ILE 34 6.604 8.481 9.696 276 1HD1 ILE 34 1HD1 ILE 34 8.247 12.688 10.172 277 2HD1 ILE 34 2HD1 ILE 34 9.247 12.283 8.780 278 3HD1 ILE 34 3HD1 ILE 34 7.484 12.494 8.581 279 H LYS 35 H LYS 35 10.304 7.895 6.788 280 HA LYS 35 HA LYS 35 8.716 6.516 4.702 281 1HB LYS 35 1HB LYS 35 10.774 5.568 3.927 282 2HB LYS 35 2HB LYS 35 10.757 7.321 3.913 283 1HG LYS 35 1HG LYS 35 12.097 7.147 6.179 284 2HG LYS 35 2HG LYS 35 12.306 5.453 5.736 285 1HD LYS 35 1HD LYS 35 14.243 6.590 5.012 286 2HD LYS 35 2HD LYS 35 13.321 6.114 3.584 287 1HE LYS 35 1HE LYS 35 14.240 8.355 3.303 288 2HE LYS 35 2HE LYS 35 12.484 8.468 3.353 289 1HZ LYS 35 1HZ LYS 35 14.294 9.005 5.606 290 2HZ LYS 35 2HZ LYS 35 13.550 10.140 4.672 291 3HZ LYS 35 3HZ LYS 35 12.650 9.155 5.635 292 HA PRO 36 HA PRO 36 8.254 3.997 8.484 293 1HB PRO 36 1HB PRO 36 6.044 2.549 7.800 294 2HB PRO 36 2HB PRO 36 5.964 4.287 8.202 295 1HG PRO 36 1HG PRO 36 6.167 3.048 5.441 296 2HG PRO 36 2HG PRO 36 4.948 4.230 6.006 297 1HD PRO 36 1HD PRO 36 7.149 5.024 4.672 298 2HD PRO 36 2HD PRO 36 6.565 5.978 6.070 299 H ILE 37 H ILE 37 8.579 1.750 9.050 300 HA ILE 37 HA ILE 37 9.834 0.099 6.957 301 HB ILE 37 HB ILE 37 10.921 0.319 9.145 302 1HG1 ILE 37 1HG1 ILE 37 10.009 -2.534 8.551 303 2HG1 ILE 37 2HG1 ILE 37 11.155 -1.627 7.544 304 1HG2 ILE 37 1HG2 ILE 37 8.617 -1.343 10.244 305 2HG2 ILE 37 2HG2 ILE 37 10.060 -0.804 11.123 306 3HG2 ILE 37 3HG2 ILE 37 8.877 0.383 10.586 307 1HD1 ILE 37 1HD1 ILE 37 12.651 -1.339 9.475 308 2HD1 ILE 37 2HD1 ILE 37 11.565 -2.366 10.451 309 3HD1 ILE 37 3HD1 ILE 37 12.380 -3.036 9.025 310 H VAL 38 H VAL 38 9.022 -1.955 6.447 311 HA VAL 38 HA VAL 38 6.100 -2.376 6.823 312 HB VAL 38 HB VAL 38 7.724 -2.225 4.249 313 1HG1 VAL 38 1HG1 VAL 38 6.229 -4.091 3.966 314 2HG1 VAL 38 2HG1 VAL 38 4.873 -3.209 4.707 315 3HG1 VAL 38 3HG1 VAL 38 5.507 -2.720 3.123 316 1HG2 VAL 38 1HG2 VAL 38 6.104 -0.473 3.631 317 2HG2 VAL 38 2HG2 VAL 38 5.297 -0.651 5.200 318 3HG2 VAL 38 3HG2 VAL 38 6.956 -0.028 5.111 319 H GLU 39 H GLU 39 5.443 -4.567 6.577 320 HA GLU 39 HA GLU 39 7.451 -6.608 6.065 321 1HB GLU 39 1HB GLU 39 7.781 -6.045 8.492 322 2HB GLU 39 2HB GLU 39 6.092 -6.485 8.794 323 1HG GLU 39 1HG GLU 39 6.567 -8.802 8.015 324 2HG GLU 39 2HG GLU 39 8.234 -8.332 7.644 325 HE2 GLU 39 HE2 GLU 39 7.103 -9.044 11.453 326 H ILE 40 H ILE 40 6.499 -8.218 4.993 327 HA ILE 40 HA ILE 40 3.558 -8.621 5.202 328 HB ILE 40 HB ILE 40 5.429 -9.065 2.835 329 1HG1 ILE 40 1HG1 ILE 40 3.546 -7.371 1.888 330 2HG1 ILE 40 2HG1 ILE 40 3.523 -6.852 3.576 331 1HG2 ILE 40 1HG2 ILE 40 3.696 -10.774 2.850 332 2HG2 ILE 40 2HG2 ILE 40 2.441 -9.541 3.122 333 3HG2 ILE 40 3HG2 ILE 40 3.340 -9.599 1.593 334 1HD1 ILE 40 1HD1 ILE 40 5.958 -6.964 1.735 335 2HD1 ILE 40 2HD1 ILE 40 5.047 -5.509 2.182 336 3HD1 ILE 40 3HD1 ILE 40 5.973 -6.378 3.413 337 H GLN 41 H GLN 41 2.876 -10.789 5.358 338 HA GLN 41 HA GLN 41 4.906 -12.918 5.225 339 1HB GLN 41 1HB GLN 41 4.896 -12.482 7.573 340 2HB GLN 41 2HB GLN 41 3.128 -12.470 7.652 341 1HG GLN 41 1HG GLN 41 2.987 -14.826 7.216 342 2HG GLN 41 2HG GLN 41 4.694 -14.921 6.750 343 1HE2 GLN 41 1HE2 GLN 41 6.344 -14.558 8.437 344 2HE2 GLN 41 2HE2 GLN 41 5.960 -14.981 10.092 345 H GLN 42 H GLN 42 4.154 -14.745 4.380 346 HA GLN 42 HA GLN 42 1.651 -15.813 4.437 347 1HB GLN 42 1HB GLN 42 0.895 -15.567 2.055 348 2HB GLN 42 2HB GLN 42 0.611 -14.227 3.142 349 1HG GLN 42 1HG GLN 42 1.248 -13.301 1.039 350 2HG GLN 42 2HG GLN 42 2.594 -13.013 2.129 351 1HE2 GLN 42 1HE2 GLN 42 1.441 -15.661 -0.101 352 2HE2 GLN 42 2HE2 GLN 42 2.994 -15.899 -0.866 353 H LYS 43 H LYS 43 1.457 -17.749 3.269 354 HA LYS 43 HA LYS 43 3.850 -18.770 1.823 355 1HB LYS 43 1HB LYS 43 2.617 -19.857 4.374 356 2HB LYS 43 2HB LYS 43 3.473 -20.926 3.251 357 1HG LYS 43 1HG LYS 43 5.532 -19.877 3.520 358 2HG LYS 43 2HG LYS 43 4.830 -18.403 4.202 359 1HD LYS 43 1HD LYS 43 4.189 -19.545 6.239 360 2HD LYS 43 2HD LYS 43 4.813 -21.092 5.622 361 1HE LYS 43 1HE LYS 43 7.081 -20.273 5.607 362 2HE LYS 43 2HE LYS 43 6.556 -18.596 5.848 363 1HZ LYS 43 1HZ LYS 43 6.275 -20.746 7.823 364 2HZ LYS 43 2HZ LYS 43 7.392 -19.533 7.850 365 3HZ LYS 43 3HZ LYS 43 5.792 -19.180 8.015 366 H GLY 44 H GLY 44 1.906 -17.889 0.407 367 1HA GLY 44 1HA GLY 44 1.081 -19.419 -1.446 368 2HA GLY 44 2HA GLY 44 0.028 -20.128 -0.216 369 H ASP 45 H ASP 45 -1.967 -19.427 -0.582 370 HA ASP 45 HA ASP 45 -2.637 -17.248 -2.181 371 1HB ASP 45 1HB ASP 45 -4.348 -18.856 -0.249 372 2HB ASP 45 2HB ASP 45 -4.968 -17.754 -1.487 373 HD2 ASP 45 HD2 ASP 45 -3.333 -21.288 -2.632 374 H ASP 46 H ASP 46 -2.377 -17.412 1.352 375 HA ASP 46 HA ASP 46 -4.074 -15.146 1.880 376 1HB ASP 46 1HB ASP 46 -2.033 -16.575 3.623 377 2HB ASP 46 2HB ASP 46 -3.254 -15.422 4.186 378 HD2 ASP 46 HD2 ASP 46 -4.365 -19.175 3.128 379 H PHE 47 H PHE 47 -3.249 -13.280 3.193 380 HA PHE 47 HA PHE 47 -0.465 -12.365 2.832 381 1HB PHE 47 1HB PHE 47 -2.894 -11.109 1.560 382 2HB PHE 47 2HB PHE 47 -1.505 -10.140 2.034 383 HD1 PHE 47 HD1 PHE 47 0.655 -10.296 0.910 384 HD2 PHE 47 HD2 PHE 47 -2.781 -12.517 -0.458 385 HE1 PHE 47 HE1 PHE 47 1.696 -10.547 -1.317 386 HE2 PHE 47 HE2 PHE 47 -1.707 -12.780 -2.683 387 HZ PHE 47 HZ PHE 47 0.533 -11.805 -3.110 388 H VAL 48 H VAL 48 0.009 -11.717 4.915 389 HA VAL 48 HA VAL 48 -1.910 -9.745 6.044 390 HB VAL 48 HB VAL 48 -1.706 -11.648 7.496 391 1HG1 VAL 48 1HG1 VAL 48 1.245 -10.957 7.802 392 2HG1 VAL 48 2HG1 VAL 48 0.336 -12.118 8.781 393 3HG1 VAL 48 3HG1 VAL 48 0.575 -12.431 7.061 394 1HG2 VAL 48 1HG2 VAL 48 -2.070 -9.307 8.361 395 2HG2 VAL 48 2HG2 VAL 48 -1.285 -10.360 9.549 396 3HG2 VAL 48 3HG2 VAL 48 -0.325 -9.172 8.647 397 H VAL 49 H VAL 49 -1.206 -7.753 6.102 398 HA VAL 49 HA VAL 49 1.645 -7.131 5.437 399 HB VAL 49 HB VAL 49 -0.947 -5.838 4.507 400 1HG1 VAL 49 1HG1 VAL 49 0.675 -4.058 4.997 401 2HG1 VAL 49 2HG1 VAL 49 1.940 -4.930 4.107 402 3HG1 VAL 49 3HG1 VAL 49 0.528 -4.267 3.252 403 1HG2 VAL 49 1HG2 VAL 49 -0.081 -6.378 2.252 404 2HG2 VAL 49 2HG2 VAL 49 1.287 -7.232 2.986 405 3HG2 VAL 49 3HG2 VAL 49 -0.363 -7.835 3.222 406 H THR 50 H THR 50 2.593 -5.855 6.894 407 HA THR 50 HA THR 50 0.975 -4.216 8.780 408 HB THR 50 HB THR 50 3.373 -6.008 9.357 409 HG1 THR 50 HG1 THR 50 0.771 -5.954 10.478 410 1HG2 THR 50 1HG2 THR 50 3.697 -3.979 10.663 411 2HG2 THR 50 2HG2 THR 50 2.000 -3.975 11.177 412 3HG2 THR 50 3HG2 THR 50 3.096 -5.259 11.727 413 H SER 51 H SER 51 1.864 -2.211 9.249 414 HA SER 51 HA SER 51 4.538 -1.573 8.241 415 1HB SER 51 1HB SER 51 2.984 -0.880 6.419 416 2HB SER 51 2HB SER 51 2.110 0.145 7.573 417 HG SER 51 HG SER 51 4.080 1.282 7.897 418 H LYS 52 H LYS 52 5.624 -0.261 9.588 419 HA LYS 52 HA LYS 52 4.245 0.732 12.045 420 1HB LYS 52 1HB LYS 52 6.909 -0.688 11.690 421 2HB LYS 52 2HB LYS 52 6.435 0.173 13.162 422 1HG LYS 52 1HG LYS 52 4.517 -1.289 13.473 423 2HG LYS 52 2HG LYS 52 4.851 -2.131 11.945 424 1HD LYS 52 1HD LYS 52 7.023 -2.913 12.852 425 2HD LYS 52 2HD LYS 52 6.688 -2.063 14.377 426 1HE LYS 52 1HE LYS 52 4.584 -3.455 14.610 427 2HE LYS 52 2HE LYS 52 5.077 -4.364 13.169 428 1HZ LYS 52 1HZ LYS 52 6.593 -4.157 15.676 429 2HZ LYS 52 2HZ LYS 52 5.707 -5.455 15.187 430 3HZ LYS 52 3HZ LYS 52 7.054 -5.016 14.345 431 H THR 53 H THR 53 4.676 2.737 12.605 432 HA THR 53 HA THR 53 6.669 4.344 11.080 433 HB THR 53 HB THR 53 4.008 5.396 12.000 434 HG1 THR 53 HG1 THR 53 4.463 3.948 9.612 435 1HG2 THR 53 1HG2 THR 53 5.379 7.119 11.198 436 2HG2 THR 53 2HG2 THR 53 5.715 6.217 9.682 437 3HG2 THR 53 3HG2 THR 53 4.087 6.832 10.036 438 HA PRO 54 HA PRO 54 7.881 5.586 15.181 439 1HB PRO 54 1HB PRO 54 8.536 8.290 14.829 440 2HB PRO 54 2HB PRO 54 9.568 6.883 14.451 441 1HG PRO 54 1HG PRO 54 7.766 8.422 12.575 442 2HG PRO 54 2HG PRO 54 9.455 7.895 12.293 443 1HD PRO 54 1HD PRO 54 7.458 6.470 11.263 444 2HD PRO 54 2HD PRO 54 8.764 5.595 12.070 445 H ARG 55 H ARG 55 5.157 7.201 13.641 446 HA ARG 55 HA ARG 55 4.003 7.652 16.342 447 1HB ARG 55 1HB ARG 55 4.008 9.730 14.117 448 2HB ARG 55 2HB ARG 55 3.139 9.853 15.660 449 1HG ARG 55 1HG ARG 55 5.325 9.685 16.868 450 2HG ARG 55 2HG ARG 55 6.165 9.774 15.309 451 1HD ARG 55 1HD ARG 55 4.277 11.894 16.404 452 2HD ARG 55 2HD ARG 55 6.052 11.937 16.478 453 HE ARG 55 HE ARG 55 5.247 11.551 13.776 454 1HH1 ARG 55 1HH1 ARG 55 5.256 14.055 16.294 455 2HH1 ARG 55 2HH1 ARG 55 5.375 15.377 15.161 456 1HH2 ARG 55 1HH2 ARG 55 5.425 13.310 12.296 457 2HH2 ARG 55 2HH2 ARG 55 5.448 14.950 12.885 458 H GLN 56 H GLN 56 3.603 5.519 14.346 459 HA GLN 56 HA GLN 56 0.772 5.385 14.507 460 1HB GLN 56 1HB GLN 56 1.170 6.983 12.473 461 2HB GLN 56 2HB GLN 56 1.774 5.561 11.633 462 1HG GLN 56 1HG GLN 56 -0.418 4.426 12.004 463 2HG GLN 56 2HG GLN 56 -1.007 5.875 12.828 464 1HE2 GLN 56 1HE2 GLN 56 0.021 7.916 11.141 465 2HE2 GLN 56 2HE2 GLN 56 -0.721 7.761 9.564 466 H THR 57 H THR 57 0.036 3.220 13.810 467 HA THR 57 HA THR 57 1.904 1.529 12.370 468 HB THR 57 HB THR 57 0.993 0.807 15.180 469 HG1 THR 57 HG1 THR 57 3.191 0.545 15.503 470 1HG2 THR 57 1HG2 THR 57 0.641 -1.193 13.797 471 2HG2 THR 57 2HG2 THR 57 2.232 -0.976 13.037 472 3HG2 THR 57 3HG2 THR 57 2.110 -1.404 14.755 473 H VAL 58 H VAL 58 0.780 -0.013 11.169 474 HA VAL 58 HA VAL 58 -2.123 -0.231 11.507 475 HB VAL 58 HB VAL 58 -1.649 1.715 10.037 476 1HG1 VAL 58 1HG1 VAL 58 -0.443 -0.292 8.088 477 2HG1 VAL 58 2HG1 VAL 58 -0.797 1.415 7.770 478 3HG1 VAL 58 3HG1 VAL 58 0.434 0.987 8.966 479 1HG2 VAL 58 1HG2 VAL 58 -2.946 -0.571 8.500 480 2HG2 VAL 58 2HG2 VAL 58 -3.716 0.356 9.812 481 3HG2 VAL 58 3HG2 VAL 58 -3.235 1.168 8.312 482 H THR 59 H THR 59 -3.018 -2.081 10.478 483 HA THR 59 HA THR 59 -1.263 -3.944 9.082 484 HB THR 59 HB THR 59 -2.566 -4.592 11.760 485 HG1 THR 59 HG1 THR 59 -0.379 -3.684 11.607 486 1HG2 THR 59 1HG2 THR 59 -2.982 -6.551 10.322 487 2HG2 THR 59 2HG2 THR 59 -1.304 -6.502 9.735 488 3HG2 THR 59 3HG2 THR 59 -1.647 -6.896 11.430 489 H ASN 60 H ASN 60 -2.400 -5.370 7.789 490 HA ASN 60 HA ASN 60 -5.314 -5.454 7.858 491 1HB ASN 60 1HB ASN 60 -5.530 -4.916 5.516 492 2HB ASN 60 2HB ASN 60 -4.917 -3.517 6.392 493 1HD2 ASN 60 1HD2 ASN 60 -2.282 -3.571 6.448 494 2HD2 ASN 60 2HD2 ASN 60 -1.605 -3.744 4.845 495 H SER 61 H SER 61 -6.132 -7.213 6.553 496 HA SER 61 HA SER 61 -4.140 -9.185 5.661 497 1HB SER 61 1HB SER 61 -5.280 -10.999 6.891 498 2HB SER 61 2HB SER 61 -4.518 -9.825 7.977 499 HG SER 61 HG SER 61 -6.575 -8.865 8.250 500 H PHE 62 H PHE 62 -4.854 -10.583 4.117 501 HA PHE 62 HA PHE 62 -7.548 -10.569 3.060 502 1HB PHE 62 1HB PHE 62 -6.897 -9.501 0.906 503 2HB PHE 62 2HB PHE 62 -6.877 -8.387 2.261 504 HD1 PHE 62 HD1 PHE 62 -4.796 -10.108 -0.226 505 HD2 PHE 62 HD2 PHE 62 -4.781 -7.452 3.166 506 HE1 PHE 62 HE1 PHE 62 -2.589 -9.211 -0.930 507 HE2 PHE 62 HE2 PHE 62 -2.529 -6.658 2.530 508 HZ PHE 62 HZ PHE 62 -1.468 -7.458 0.426 509 H THR 63 H THR 63 -7.469 -11.710 0.825 510 HA THR 63 HA THR 63 -5.268 -13.644 0.542 511 HB THR 63 HB THR 63 -8.189 -14.442 0.961 512 HG1 THR 63 HG1 THR 63 -7.229 -15.540 2.783 513 1HG2 THR 63 1HG2 THR 63 -7.383 -16.763 0.826 514 2HG2 THR 63 2HG2 THR 63 -7.041 -15.920 -0.691 515 3HG2 THR 63 3HG2 THR 63 -5.741 -16.194 0.488 516 H LEU 64 H LEU 64 -4.994 -14.239 -1.600 517 HA LEU 64 HA LEU 64 -6.105 -12.385 -3.455 518 1HB LEU 64 1HB LEU 64 -4.674 -13.390 -5.097 519 2HB LEU 64 2HB LEU 64 -3.842 -13.199 -3.563 520 HG LEU 64 HG LEU 64 -4.594 -15.759 -3.215 521 1HD1 LEU 64 1HD1 LEU 64 -4.482 -17.021 -5.314 522 2HD1 LEU 64 2HD1 LEU 64 -5.850 -15.912 -5.401 523 3HD1 LEU 64 3HD1 LEU 64 -4.346 -15.521 -6.252 524 1HD2 LEU 64 1HD2 LEU 64 -2.286 -14.747 -4.917 525 2HD2 LEU 64 2HD2 LEU 64 -2.287 -15.022 -3.167 526 3HD2 LEU 64 3HD2 LEU 64 -2.388 -16.394 -4.288 527 H GLY 65 H GLY 65 -7.310 -12.714 -5.317 528 1HA GLY 65 1HA GLY 65 -8.967 -13.528 -6.644 529 2HA GLY 65 2HA GLY 65 -8.767 -15.135 -5.925 530 H LYS 66 H LYS 66 -9.331 -12.268 -3.858 531 HA LYS 66 HA LYS 66 -12.181 -12.784 -3.615 532 1HB LYS 66 1HB LYS 66 -11.057 -14.683 -2.399 533 2HB LYS 66 2HB LYS 66 -10.324 -13.508 -1.300 534 1HG LYS 66 1HG LYS 66 -12.491 -12.889 -0.422 535 2HG LYS 66 2HG LYS 66 -13.327 -13.715 -1.758 536 1HD LYS 66 1HD LYS 66 -12.423 -15.893 -0.909 537 2HD LYS 66 2HD LYS 66 -11.657 -15.018 0.431 538 1HE LYS 66 1HE LYS 66 -13.740 -15.990 1.213 539 2HE LYS 66 2HE LYS 66 -13.928 -14.228 1.169 540 1HZ LYS 66 1HZ LYS 66 -15.128 -14.443 -0.856 541 2HZ LYS 66 2HZ LYS 66 -14.854 -16.068 -0.928 542 3HZ LYS 66 3HZ LYS 66 -15.807 -15.442 0.263 543 H GLU 67 H GLU 67 -13.228 -11.428 -2.124 544 HA GLU 67 HA GLU 67 -12.228 -8.752 -1.900 545 1HB GLU 67 1HB GLU 67 -14.365 -8.270 -0.920 546 2HB GLU 67 2HB GLU 67 -14.574 -9.306 -2.338 547 1HG GLU 67 1HG GLU 67 -14.727 -11.298 -0.731 548 2HG GLU 67 2HG GLU 67 -14.771 -10.125 0.595 549 HE2 GLU 67 HE2 GLU 67 -17.952 -8.821 -0.521 550 H ALA 68 H ALA 68 -11.598 -7.640 -0.118 551 HA ALA 68 HA ALA 68 -11.597 -8.830 2.570 552 1HB ALA 68 1HB ALA 68 -9.448 -9.638 1.625 553 2HB ALA 68 2HB ALA 68 -9.040 -7.975 1.131 554 3HB ALA 68 3HB ALA 68 -9.166 -8.386 2.855 555 H ASP 69 H ASP 69 -10.984 -7.195 4.190 556 HA ASP 69 HA ASP 69 -11.534 -4.404 3.338 557 1HB ASP 69 1HB ASP 69 -11.736 -3.908 5.664 558 2HB ASP 69 2HB ASP 69 -12.719 -5.338 5.322 559 HD2 ASP 69 HD2 ASP 69 -9.734 -5.475 7.988 560 H ILE 70 H ILE 70 -9.967 -2.805 3.536 561 HA ILE 70 HA ILE 70 -7.309 -3.553 4.628 562 HB ILE 70 HB ILE 70 -7.801 -2.027 2.064 563 1HG1 ILE 70 1HG1 ILE 70 -6.478 -4.711 2.700 564 2HG1 ILE 70 2HG1 ILE 70 -7.926 -4.436 1.716 565 1HG2 ILE 70 1HG2 ILE 70 -5.992 -0.979 3.397 566 2HG2 ILE 70 2HG2 ILE 70 -5.183 -2.559 3.502 567 3HG2 ILE 70 3HG2 ILE 70 -5.373 -1.728 1.938 568 1HD1 ILE 70 1HD1 ILE 70 -6.473 -3.168 0.084 569 2HD1 ILE 70 2HD1 ILE 70 -5.055 -3.724 1.014 570 3HD1 ILE 70 3HD1 ILE 70 -6.116 -4.902 0.237 571 H THR 71 H THR 71 -6.462 -2.112 5.908 572 HA THR 71 HA THR 71 -8.195 -0.054 7.015 573 HB THR 71 HB THR 71 -5.414 -1.014 7.810 574 HG1 THR 71 HG1 THR 71 -8.010 -1.713 8.713 575 1HG2 THR 71 1HG2 THR 71 -5.936 1.210 8.789 576 2HG2 THR 71 2HG2 THR 71 -7.515 0.612 9.338 577 3HG2 THR 71 3HG2 THR 71 -6.024 -0.058 10.028 578 H THR 72 H THR 72 -8.308 1.520 5.412 579 HA THR 72 HA THR 72 -5.909 2.746 4.274 580 HB THR 72 HB THR 72 -8.880 3.365 4.031 581 HG1 THR 72 HG1 THR 72 -8.264 1.376 3.180 582 1HG2 THR 72 1HG2 THR 72 -6.485 4.486 2.514 583 2HG2 THR 72 2HG2 THR 72 -8.155 4.579 1.927 584 3HG2 THR 72 3HG2 THR 72 -7.716 5.393 3.429 585 H MET 73 H MET 73 -5.445 4.971 4.478 586 HA MET 73 HA MET 73 -5.074 5.882 7.084 587 1HB MET 73 1HB MET 73 -4.961 7.265 4.378 588 2HB MET 73 2HB MET 73 -4.600 8.119 5.875 589 1HG MET 73 1HG MET 73 -2.523 7.413 5.010 590 2HG MET 73 2HG MET 73 -2.858 6.456 6.444 591 1HE MET 73 1HE MET 73 -2.538 6.563 2.570 592 2HE MET 73 2HE MET 73 -2.888 4.890 2.082 593 3HE MET 73 3HE MET 73 -4.197 5.923 2.685 594 H ASP 74 H ASP 74 -5.869 7.695 8.206 595 HA ASP 74 HA ASP 74 -7.473 8.752 9.315 596 1HB ASP 74 1HB ASP 74 -7.778 10.004 7.135 597 2HB ASP 74 2HB ASP 74 -9.128 8.920 6.763 598 HD2 ASP 74 HD2 ASP 74 -11.321 10.842 8.582 599 H GLY 75 H GLY 75 -7.323 5.913 9.148 600 1HA GLY 75 1HA GLY 75 -8.331 4.068 9.957 601 2HA GLY 75 2HA GLY 75 -9.175 5.223 10.991 602 H LYS 76 H LYS 76 -9.368 3.799 7.657 603 HA LYS 76 HA LYS 76 -12.191 3.150 8.205 604 1HB LYS 76 1HB LYS 76 -13.065 4.177 6.208 605 2HB LYS 76 2HB LYS 76 -12.297 5.412 7.215 606 1HG LYS 76 1HG LYS 76 -10.278 5.332 5.770 607 2HG LYS 76 2HG LYS 76 -11.048 4.095 4.753 608 1HD LYS 76 1HD LYS 76 -12.821 5.566 4.096 609 2HD LYS 76 2HD LYS 76 -12.297 6.831 5.222 610 1HE LYS 76 1HE LYS 76 -10.599 5.799 2.901 611 2HE LYS 76 2HE LYS 76 -11.651 7.222 2.813 612 1HZ LYS 76 1HZ LYS 76 -10.394 8.230 4.539 613 2HZ LYS 76 2HZ LYS 76 -9.404 6.923 4.687 614 3HZ LYS 76 3HZ LYS 76 -9.396 7.804 3.299 615 H LYS 77 H LYS 77 -13.163 1.756 6.645 616 HA LYS 77 HA LYS 77 -11.270 0.154 5.004 617 1HB LYS 77 1HB LYS 77 -12.708 -1.782 5.374 618 2HB LYS 77 2HB LYS 77 -11.934 -1.216 6.860 619 1HG LYS 77 1HG LYS 77 -14.054 -0.131 7.562 620 2HG LYS 77 2HG LYS 77 -14.835 -0.687 6.066 621 1HD LYS 77 1HD LYS 77 -14.405 -3.036 6.699 622 2HD LYS 77 2HD LYS 77 -13.596 -2.497 8.185 623 1HE LYS 77 1HE LYS 77 -15.663 -1.503 9.019 624 2HE LYS 77 2HE LYS 77 -16.511 -1.881 7.508 625 1HZ LYS 77 1HZ LYS 77 -16.286 -4.175 7.977 626 2HZ LYS 77 2HZ LYS 77 -15.348 -3.898 9.301 627 3HZ LYS 77 3HZ LYS 77 -16.931 -3.446 9.304 628 H LEU 78 H LEU 78 -11.866 -0.184 2.937 629 HA LEU 78 HA LEU 78 -14.432 0.932 1.957 630 1HB LEU 78 1HB LEU 78 -13.108 2.131 0.177 631 2HB LEU 78 2HB LEU 78 -12.965 2.757 1.816 632 HG LEU 78 HG LEU 78 -10.755 1.525 2.062 633 1HD1 LEU 78 1HD1 LEU 78 -9.593 0.932 -0.066 634 2HD1 LEU 78 2HD1 LEU 78 -10.939 -0.152 0.270 635 3HD1 LEU 78 3HD1 LEU 78 -11.124 1.144 -0.932 636 1HD2 LEU 78 1HD2 LEU 78 -11.110 3.670 -0.051 637 2HD2 LEU 78 2HD2 LEU 78 -10.789 3.874 1.682 638 3HD2 LEU 78 3HD2 LEU 78 -9.541 3.180 0.628 639 H LYS 79 H LYS 79 -12.693 -1.714 2.112 640 HA LYS 79 HA LYS 79 -12.840 -3.710 1.195 641 1HB LYS 79 1HB LYS 79 -15.134 -2.516 -0.394 642 2HB LYS 79 2HB LYS 79 -14.776 -4.231 -0.277 643 1HG LYS 79 1HG LYS 79 -15.425 -4.435 1.900 644 2HG LYS 79 2HG LYS 79 -15.013 -2.786 2.358 645 1HD LYS 79 1HD LYS 79 -17.353 -3.391 0.523 646 2HD LYS 79 2HD LYS 79 -17.490 -3.355 2.291 647 1HE LYS 79 1HE LYS 79 -16.679 -1.036 2.370 648 2HE LYS 79 2HE LYS 79 -16.479 -1.014 0.614 649 1HZ LYS 79 1HZ LYS 79 -18.820 -1.360 0.393 650 2HZ LYS 79 2HZ LYS 79 -19.020 -1.351 2.032 651 3HZ LYS 79 3HZ LYS 79 -18.498 0.004 1.254 652 H CYS 80 H CYS 80 -11.766 -4.922 -0.245 653 HA CYS 80 HA CYS 80 -10.905 -3.804 -2.859 654 1HB CYS 80 1HB CYS 80 -9.133 -4.552 -0.498 655 2HB CYS 80 2HB CYS 80 -8.549 -4.504 -2.169 656 HG CYS 80 HG CYS 80 -10.078 -2.066 -0.566 657 H THR 81 H THR 81 -11.044 -5.332 -4.349 658 HA THR 81 HA THR 81 -11.157 -8.211 -3.692 659 HB THR 81 HB THR 81 -11.600 -6.739 -6.316 660 HG1 THR 81 HG1 THR 81 -13.418 -7.699 -4.362 661 1HG2 THR 81 1HG2 THR 81 -12.743 -8.834 -6.966 662 2HG2 THR 81 2HG2 THR 81 -11.038 -9.150 -6.601 663 3HG2 THR 81 3HG2 THR 81 -12.294 -9.580 -5.418 664 H VAL 82 H VAL 82 -9.160 -9.022 -3.380 665 HA VAL 82 HA VAL 82 -6.843 -7.975 -4.863 666 HB VAL 82 HB VAL 82 -7.042 -10.042 -2.640 667 1HG1 VAL 82 1HG1 VAL 82 -4.686 -8.583 -3.922 668 2HG1 VAL 82 2HG1 VAL 82 -4.580 -9.422 -2.375 669 3HG1 VAL 82 3HG1 VAL 82 -4.933 -10.338 -3.829 670 1HG2 VAL 82 1HG2 VAL 82 -6.312 -8.251 -1.151 671 2HG2 VAL 82 2HG2 VAL 82 -6.250 -7.101 -2.490 672 3HG2 VAL 82 3HG2 VAL 82 -7.807 -7.749 -1.926 673 H HIS 83 H HIS 83 -5.478 -9.226 -6.138 674 HA HIS 83 HA HIS 83 -5.979 -12.057 -6.596 675 1HB HIS 83 1HB HIS 83 -7.487 -11.005 -8.226 676 2HB HIS 83 2HB HIS 83 -6.151 -10.038 -8.867 677 HD1 HIS 83 HD1 HIS 83 -7.022 -13.766 -8.383 678 HD2 HIS 83 HD2 HIS 83 -4.921 -11.169 -10.964 679 HE1 HIS 83 HE1 HIS 83 -6.083 -15.187 -10.294 680 HE2 HIS 83 HE2 HIS 83 -4.808 -13.621 -11.872 681 H LEU 84 H LEU 84 -4.221 -12.944 -7.993 682 HA LEU 84 HA LEU 84 -1.751 -11.332 -8.040 683 1HB LEU 84 1HB LEU 84 -1.819 -12.857 -6.119 684 2HB LEU 84 2HB LEU 84 -1.877 -14.253 -7.223 685 HG LEU 84 HG LEU 84 0.309 -12.130 -7.204 686 1HD1 LEU 84 1HD1 LEU 84 0.225 -14.810 -5.756 687 2HD1 LEU 84 2HD1 LEU 84 1.663 -13.779 -5.899 688 3HD1 LEU 84 3HD1 LEU 84 0.244 -13.200 -5.010 689 1HD2 LEU 84 1HD2 LEU 84 0.203 -14.944 -8.388 690 2HD2 LEU 84 2HD2 LEU 84 0.342 -13.417 -9.288 691 3HD2 LEU 84 3HD2 LEU 84 1.673 -13.959 -8.274 692 H ALA 85 H ALA 85 -1.235 -11.142 -10.055 693 HA ALA 85 HA ALA 85 -2.467 -12.882 -12.129 694 1HB ALA 85 1HB ALA 85 -3.005 -10.502 -12.159 695 2HB ALA 85 2HB ALA 85 -1.289 -10.082 -12.275 696 3HB ALA 85 3HB ALA 85 -2.093 -10.952 -13.607 697 H ASN 86 H ASN 86 0.108 -11.077 -13.379 698 HA ASN 86 HA ASN 86 1.543 -13.503 -14.081 699 1HB ASN 86 1HB ASN 86 2.679 -12.058 -15.658 700 2HB ASN 86 2HB ASN 86 0.932 -11.824 -15.751 701 1HD2 ASN 86 1HD2 ASN 86 3.250 -10.023 -16.514 702 2HD2 ASN 86 2HD2 ASN 86 2.904 -8.514 -15.696 703 H GLY 87 H GLY 87 1.923 -13.502 -11.509 704 1HA GLY 87 1HA GLY 87 3.451 -13.445 -9.803 705 2HA GLY 87 2HA GLY 87 4.710 -13.039 -10.978 706 H LYS 88 H LYS 88 1.702 -11.231 -10.316 707 HA LYS 88 HA LYS 88 3.139 -9.121 -8.827 708 1HB LYS 88 1HB LYS 88 1.393 -8.579 -11.276 709 2HB LYS 88 2HB LYS 88 2.066 -7.377 -10.163 710 1HG LYS 88 1HG LYS 88 4.385 -8.319 -10.791 711 2HG LYS 88 2HG LYS 88 3.565 -9.162 -12.118 712 1HD LYS 88 1HD LYS 88 2.681 -6.959 -12.924 713 2HD LYS 88 2HD LYS 88 3.554 -6.159 -11.603 714 1HE LYS 88 1HE LYS 88 5.704 -7.096 -12.489 715 2HE LYS 88 2HE LYS 88 4.811 -7.766 -13.868 716 1HZ LYS 88 1HZ LYS 88 4.182 -5.539 -14.455 717 2HZ LYS 88 2HZ LYS 88 4.969 -4.918 -13.147 718 3HZ LYS 88 3HZ LYS 88 5.823 -5.649 -14.353 719 H LEU 89 H LEU 89 1.836 -8.168 -7.305 720 HA LEU 89 HA LEU 89 -0.712 -9.466 -6.654 721 1HB LEU 89 1HB LEU 89 1.120 -8.833 -5.037 722 2HB LEU 89 2HB LEU 89 0.729 -7.139 -5.314 723 HG LEU 89 HG LEU 89 -1.083 -9.282 -4.122 724 1HD1 LEU 89 1HD1 LEU 89 0.821 -8.526 -2.704 725 2HD1 LEU 89 2HD1 LEU 89 0.287 -6.844 -2.897 726 3HD1 LEU 89 3HD1 LEU 89 -0.739 -8.013 -2.039 727 1HD2 LEU 89 1HD2 LEU 89 -1.588 -6.320 -4.658 728 2HD2 LEU 89 2HD2 LEU 89 -2.547 -7.712 -5.221 729 3HD2 LEU 89 3HD2 LEU 89 -2.535 -7.288 -3.510 730 H VAL 90 H VAL 90 -2.445 -8.782 -7.848 731 HA VAL 90 HA VAL 90 -2.640 -5.909 -8.682 732 HB VAL 90 HB VAL 90 -3.578 -8.410 -10.135 733 1HG1 VAL 90 1HG1 VAL 90 -4.228 -6.791 -11.916 734 2HG1 VAL 90 2HG1 VAL 90 -5.159 -6.531 -10.436 735 3HG1 VAL 90 3HG1 VAL 90 -3.810 -5.445 -10.834 736 1HG2 VAL 90 1HG2 VAL 90 -1.138 -8.052 -10.374 737 2HG2 VAL 90 2HG2 VAL 90 -1.982 -7.682 -11.882 738 3HG2 VAL 90 3HG2 VAL 90 -1.423 -6.361 -10.837 739 H THR 91 H THR 91 -4.174 -4.936 -7.568 740 HA THR 91 HA THR 91 -6.567 -6.425 -6.592 741 HB THR 91 HB THR 91 -5.105 -4.107 -5.345 742 HG1 THR 91 HG1 THR 91 -4.445 -5.715 -3.791 743 1HG2 THR 91 1HG2 THR 91 -7.365 -5.794 -4.225 744 2HG2 THR 91 2HG2 THR 91 -6.373 -4.679 -3.269 745 3HG2 THR 91 3HG2 THR 91 -7.387 -4.054 -4.572 746 H LYS 92 H LYS 92 -8.436 -5.261 -6.495 747 HA LYS 92 HA LYS 92 -8.610 -2.619 -7.842 748 1HB LYS 92 1HB LYS 92 -9.811 -5.174 -8.716 749 2HB LYS 92 2HB LYS 92 -11.046 -3.967 -8.387 750 1HG LYS 92 1HG LYS 92 -8.649 -3.436 -10.186 751 2HG LYS 92 2HG LYS 92 -10.210 -4.055 -10.747 752 1HD LYS 92 1HD LYS 92 -11.332 -2.017 -9.718 753 2HD LYS 92 2HD LYS 92 -9.726 -1.393 -9.342 754 1HE LYS 92 1HE LYS 92 -10.409 -0.331 -11.351 755 2HE LYS 92 2HE LYS 92 -9.164 -1.507 -11.809 756 1HZ LYS 92 1HZ LYS 92 -12.073 -1.902 -12.026 757 2HZ LYS 92 2HZ LYS 92 -11.065 -1.528 -13.273 758 3HZ LYS 92 3HZ LYS 92 -10.917 -2.976 -12.503 759 H SER 93 H SER 93 -9.833 -1.199 -6.748 760 HA SER 93 HA SER 93 -11.525 -2.140 -4.473 761 1HB SER 93 1HB SER 93 -9.558 -0.701 -3.840 762 2HB SER 93 2HB SER 93 -10.222 0.585 -4.863 763 HG SER 93 HG SER 93 -11.496 -0.657 -2.647 764 H GLU 94 H GLU 94 -13.409 -0.619 -4.147 765 HA GLU 94 HA GLU 94 -15.065 -0.529 -6.441 766 1HB GLU 94 1HB GLU 94 -15.291 1.006 -3.814 767 2HB GLU 94 2HB GLU 94 -16.568 0.837 -5.034 768 1HG GLU 94 1HG GLU 94 -16.407 -1.680 -4.747 769 2HG GLU 94 2HG GLU 94 -15.304 -1.400 -3.390 770 HE2 GLU 94 HE2 GLU 94 -19.272 -0.857 -2.967 771 H LYS 95 H LYS 95 -13.092 2.028 -4.886 772 HA LYS 95 HA LYS 95 -13.939 3.998 -6.932 773 1HB LYS 95 1HB LYS 95 -12.533 4.189 -4.260 774 2HB LYS 95 2HB LYS 95 -12.646 5.561 -5.381 775 1HG LYS 95 1HG LYS 95 -15.059 5.502 -5.348 776 2HG LYS 95 2HG LYS 95 -15.059 3.989 -4.418 777 1HD LYS 95 1HD LYS 95 -14.019 5.128 -2.500 778 2HD LYS 95 2HD LYS 95 -13.904 6.635 -3.423 779 1HE LYS 95 1HE LYS 95 -15.813 6.675 -1.864 780 2HE LYS 95 2HE LYS 95 -16.350 6.805 -3.547 781 1HZ LYS 95 1HZ LYS 95 -17.684 5.289 -2.269 782 2HZ LYS 95 2HZ LYS 95 -16.917 4.496 -3.490 783 3HZ LYS 95 3HZ LYS 95 -16.375 4.342 -1.940 784 H PHE 96 H PHE 96 -11.111 1.981 -6.233 785 HA PHE 96 HA PHE 96 -9.574 3.368 -8.363 786 1HB PHE 96 1HB PHE 96 -7.775 3.942 -6.931 787 2HB PHE 96 2HB PHE 96 -9.273 4.669 -6.376 788 HD1 PHE 96 HD1 PHE 96 -6.674 2.135 -5.573 789 HD2 PHE 96 HD2 PHE 96 -10.256 4.119 -4.244 790 HE1 PHE 96 HE1 PHE 96 -6.299 1.271 -3.300 791 HE2 PHE 96 HE2 PHE 96 -9.863 3.276 -1.953 792 HZ PHE 96 HZ PHE 96 -7.803 1.939 -1.458 793 H SER 97 H SER 97 -7.079 2.302 -7.915 794 HA SER 97 HA SER 97 -7.330 -0.613 -7.627 795 1HB SER 97 1HB SER 97 -7.817 -0.108 -10.028 796 2HB SER 97 2HB SER 97 -6.239 0.688 -10.159 797 HG SER 97 HG SER 97 -6.595 -2.015 -9.333 798 H HIS 98 H HIS 98 -5.243 -1.691 -7.699 799 HA HIS 98 HA HIS 98 -2.896 -0.143 -6.771 800 1HB HIS 98 1HB HIS 98 -3.962 -0.298 -4.698 801 2HB HIS 98 2HB HIS 98 -4.792 -1.786 -5.115 802 HD1 HIS 98 HD1 HIS 98 -4.122 -3.610 -3.642 803 HD2 HIS 98 HD2 HIS 98 -0.900 -1.062 -4.616 804 HE1 HIS 98 HE1 HIS 98 -2.036 -4.575 -2.528 805 HE2 HIS 98 HE2 HIS 98 -0.091 -3.021 -3.070 806 H GLU 99 H GLU 99 -1.149 -1.056 -7.718 807 HA GLU 99 HA GLU 99 -1.112 -3.972 -8.183 808 1HB GLU 99 1HB GLU 99 -0.118 -3.742 -10.328 809 2HB GLU 99 2HB GLU 99 -1.673 -2.900 -10.317 810 1HG GLU 99 1HG GLU 99 -0.376 -0.730 -9.963 811 2HG GLU 99 2HG GLU 99 1.112 -1.665 -10.235 812 HE2 GLU 99 HE2 GLU 99 0.334 -2.278 -13.666 813 H GLN 100 H GLN 100 0.750 -4.901 -7.518 814 HA GLN 100 HA GLN 100 3.011 -3.217 -6.641 815 1HB GLN 100 1HB GLN 100 1.083 -3.200 -5.020 816 2HB GLN 100 2HB GLN 100 1.306 -4.928 -4.755 817 1HG GLN 100 1HG GLN 100 3.373 -4.613 -3.678 818 2HG GLN 100 2HG GLN 100 3.642 -3.046 -4.449 819 1HE2 GLN 100 1HE2 GLN 100 1.757 -1.366 -3.952 820 2HE2 GLN 100 2HE2 GLN 100 1.328 -1.232 -2.264 821 H GLU 101 H GLU 101 4.940 -4.352 -6.563 822 HA GLU 101 HA GLU 101 4.939 -7.262 -7.020 823 1HB GLU 101 1HB GLU 101 6.113 -6.950 -9.201 824 2HB GLU 101 2HB GLU 101 4.395 -6.561 -9.212 825 1HG GLU 101 1HG GLU 101 6.533 -4.415 -8.903 826 2HG GLU 101 2HG GLU 101 5.989 -4.994 -10.478 827 HE2 GLU 101 HE2 GLU 101 3.974 -2.076 -8.961 828 H VAL 102 H VAL 102 7.015 -8.202 -6.964 829 HA VAL 102 HA VAL 102 9.136 -6.513 -5.712 830 HB VAL 102 HB VAL 102 8.313 -9.368 -5.097 831 1HG1 VAL 102 1HG1 VAL 102 10.759 -9.292 -5.076 832 2HG1 VAL 102 2HG1 VAL 102 10.732 -7.773 -4.153 833 3HG1 VAL 102 3HG1 VAL 102 10.176 -9.291 -3.413 834 1HG2 VAL 102 1HG2 VAL 102 7.949 -8.533 -2.826 835 2HG2 VAL 102 2HG2 VAL 102 8.516 -6.919 -3.287 836 3HG2 VAL 102 3HG2 VAL 102 6.993 -7.549 -3.946 837 H LYS 103 H LYS 103 11.135 -6.710 -6.482 838 HA LYS 103 HA LYS 103 11.803 -8.724 -8.531 839 1HB LYS 103 1HB LYS 103 12.369 -5.732 -8.685 840 2HB LYS 103 2HB LYS 103 12.999 -6.996 -9.761 841 1HG LYS 103 1HG LYS 103 10.662 -7.555 -10.442 842 2HG LYS 103 2HG LYS 103 10.049 -6.281 -9.377 843 1HD LYS 103 1HD LYS 103 10.115 -5.502 -11.668 844 2HD LYS 103 2HD LYS 103 11.222 -4.561 -10.653 845 1HE LYS 103 1HE LYS 103 13.160 -5.739 -11.548 846 2HE LYS 103 2HE LYS 103 12.124 -6.906 -12.399 847 1HZ LYS 103 1HZ LYS 103 11.399 -5.162 -13.803 848 2HZ LYS 103 2HZ LYS 103 12.226 -4.023 -12.939 849 3HZ LYS 103 3HZ LYS 103 13.047 -5.174 -13.785 850 H GLY 104 H GLY 104 13.165 -9.927 -7.274 851 1HA GLY 104 1HA GLY 104 15.097 -10.529 -6.237 852 2HA GLY 104 2HA GLY 104 15.812 -9.010 -6.796 853 H ASN 105 H ASN 105 16.022 -7.328 -5.367 854 HA ASN 105 HA ASN 105 15.060 -7.656 -2.544 855 1HB ASN 105 1HB ASN 105 17.130 -6.741 -1.779 856 2HB ASN 105 2HB ASN 105 17.500 -8.124 -2.806 857 1HD2 ASN 105 1HD2 ASN 105 18.343 -7.701 -4.999 858 2HD2 ASN 105 2HD2 ASN 105 19.149 -6.184 -5.335 859 H GLU 106 H GLU 106 14.289 -6.004 -5.194 860 HA GLU 106 HA GLU 106 13.833 -3.430 -3.752 861 1HB GLU 106 1HB GLU 106 15.295 -3.345 -5.830 862 2HB GLU 106 2HB GLU 106 13.908 -3.945 -6.752 863 1HG GLU 106 1HG GLU 106 12.603 -1.920 -6.109 864 2HG GLU 106 2HG GLU 106 13.966 -1.361 -5.121 865 HE2 GLU 106 HE2 GLU 106 16.004 -0.539 -7.888 866 H MET 107 H MET 107 11.684 -2.731 -3.763 867 HA MET 107 HA MET 107 9.600 -4.521 -4.937 868 1HB MET 107 1HB MET 107 9.779 -4.949 -2.556 869 2HB MET 107 2HB MET 107 9.768 -3.218 -2.197 870 1HG MET 107 1HG MET 107 7.442 -3.048 -2.984 871 2HG MET 107 2HG MET 107 7.472 -4.751 -3.466 872 1HE MET 107 1HE MET 107 5.022 -4.919 -0.503 873 2HE MET 107 2HE MET 107 5.164 -3.695 -1.785 874 3HE MET 107 3HE MET 107 5.382 -5.418 -2.173 875 H VAL 108 H VAL 108 8.095 -3.439 -6.100 876 HA VAL 108 HA VAL 108 8.161 -0.452 -6.059 877 HB VAL 108 HB VAL 108 7.632 -2.338 -8.392 878 1HG1 VAL 108 1HG1 VAL 108 6.232 -0.310 -8.570 879 2HG1 VAL 108 2HG1 VAL 108 7.653 0.711 -8.265 880 3HG1 VAL 108 3HG1 VAL 108 7.545 -0.265 -9.745 881 1HG2 VAL 108 1HG2 VAL 108 10.008 -2.251 -7.935 882 2HG2 VAL 108 2HG2 VAL 108 9.696 -1.185 -9.311 883 3HG2 VAL 108 3HG2 VAL 108 9.958 -0.490 -7.700 884 H GLU 109 H GLU 109 6.287 0.578 -5.805 885 HA GLU 109 HA GLU 109 3.765 -0.979 -5.456 886 1HB GLU 109 1HB GLU 109 4.814 1.272 -3.712 887 2HB GLU 109 2HB GLU 109 3.342 0.331 -3.470 888 1HG GLU 109 1HG GLU 109 4.851 -1.707 -3.156 889 2HG GLU 109 2HG GLU 109 6.244 -0.625 -3.252 890 HE2 GLU 109 HE2 GLU 109 5.769 -0.990 0.252 891 H THR 110 H THR 110 2.259 -0.186 -6.848 892 HA THR 110 HA THR 110 2.229 2.744 -7.426 893 HB THR 110 HB THR 110 1.798 0.467 -9.388 894 HG1 THR 110 HG1 THR 110 3.691 1.328 -10.305 895 1HG2 THR 110 1HG2 THR 110 1.686 2.312 -11.066 896 2HG2 THR 110 2HG2 THR 110 0.343 2.384 -9.916 897 3HG2 THR 110 3HG2 THR 110 1.716 3.500 -9.745 898 H ILE 111 H ILE 111 0.398 3.551 -6.583 899 HA ILE 111 HA ILE 111 -2.095 1.930 -6.652 900 HB ILE 111 HB ILE 111 -1.120 1.533 -4.510 901 1HG1 ILE 111 1HG1 ILE 111 -3.393 3.533 -4.091 902 2HG1 ILE 111 2HG1 ILE 111 -3.634 1.932 -4.781 903 1HG2 ILE 111 1HG2 ILE 111 0.297 3.626 -4.342 904 2HG2 ILE 111 2HG2 ILE 111 -1.180 4.505 -3.890 905 3HG2 ILE 111 3HG2 ILE 111 -0.562 3.195 -2.870 906 1HD1 ILE 111 1HD1 ILE 111 -2.541 2.536 -2.003 907 2HD1 ILE 111 2HD1 ILE 111 -4.112 1.843 -2.408 908 3HD1 ILE 111 3HD1 ILE 111 -2.635 0.911 -2.722 909 H THR 112 H THR 112 -3.955 3.165 -7.018 910 HA THR 112 HA THR 112 -3.513 6.109 -7.249 911 HB THR 112 HB THR 112 -3.518 5.024 -9.460 912 HG1 THR 112 HG1 THR 112 -4.909 6.495 -10.326 913 1HG2 THR 112 1HG2 THR 112 -6.422 4.312 -8.868 914 2HG2 THR 112 2HG2 THR 112 -5.599 4.176 -10.430 915 3HG2 THR 112 3HG2 THR 112 -5.088 3.153 -9.082 916 H PHE 113 H PHE 113 -5.599 7.295 -7.398 917 HA PHE 113 HA PHE 113 -7.893 6.231 -5.994 918 1HB PHE 113 1HB PHE 113 -6.481 6.742 -4.065 919 2HB PHE 113 2HB PHE 113 -6.187 8.369 -4.670 920 HD1 PHE 113 HD1 PHE 113 -8.652 6.079 -3.142 921 HD2 PHE 113 HD2 PHE 113 -7.908 10.137 -4.403 922 HE1 PHE 113 HE1 PHE 113 -10.719 6.822 -1.982 923 HE2 PHE 113 HE2 PHE 113 -9.937 10.878 -3.192 924 HZ PHE 113 HZ PHE 113 -11.348 9.228 -1.987 925 H GLY 114 H GLY 114 -9.240 6.848 -7.597 926 1HA GLY 114 1HA GLY 114 -10.362 8.124 -9.103 927 2HA GLY 114 2HA GLY 114 -10.002 9.527 -8.083 928 H GLY 115 H GLY 115 -8.698 11.056 -8.988 929 1HA GLY 115 1HA GLY 115 -7.101 10.414 -11.438 930 2HA GLY 115 2HA GLY 115 -7.787 11.978 -10.999 931 H VAL 116 H VAL 116 -6.228 10.000 -8.507 932 HA VAL 116 HA VAL 116 -3.760 11.682 -8.641 933 HB VAL 116 HB VAL 116 -5.222 10.777 -6.120 934 1HG1 VAL 116 1HG1 VAL 116 -2.791 12.568 -6.579 935 2HG1 VAL 116 2HG1 VAL 116 -3.596 12.301 -5.025 936 3HG1 VAL 116 3HG1 VAL 116 -2.781 10.955 -5.833 937 1HG2 VAL 116 1HG2 VAL 116 -6.539 12.559 -7.167 938 2HG2 VAL 116 2HG2 VAL 116 -5.675 13.196 -5.767 939 3HG2 VAL 116 3HG2 VAL 116 -5.073 13.540 -7.402 940 H THR 117 H THR 117 -2.046 10.392 -9.002 941 HA THR 117 HA THR 117 -2.258 7.475 -8.373 942 HB THR 117 HB THR 117 -0.961 8.876 -10.733 943 HG1 THR 117 HG1 THR 117 -3.241 8.720 -10.798 944 1HG2 THR 117 1HG2 THR 117 -0.615 6.562 -11.578 945 2HG2 THR 117 2HG2 THR 117 0.328 6.869 -10.114 946 3HG2 THR 117 3HG2 THR 117 -1.167 5.914 -10.019 947 H LEU 118 H LEU 118 -0.703 6.642 -7.115 948 HA LEU 118 HA LEU 118 1.557 8.387 -6.294 949 1HB LEU 118 1HB LEU 118 0.196 6.097 -4.831 950 2HB LEU 118 2HB LEU 118 1.553 7.061 -4.269 951 HG LEU 118 HG LEU 118 0.055 9.084 -4.238 952 1HD1 LEU 118 1HD1 LEU 118 -2.436 8.508 -4.028 953 2HD1 LEU 118 2HD1 LEU 118 -1.817 8.492 -5.668 954 3HD1 LEU 118 3HD1 LEU 118 -2.078 6.961 -4.798 955 1HD2 LEU 118 1HD2 LEU 118 0.687 7.715 -2.267 956 2HD2 LEU 118 2HD2 LEU 118 -0.949 8.349 -2.105 957 3HD2 LEU 118 3HD2 LEU 118 -0.705 6.652 -2.549 958 H ILE 119 H ILE 119 3.600 7.543 -6.329 959 HA ILE 119 HA ILE 119 3.937 4.674 -6.943 960 HB ILE 119 HB ILE 119 4.114 5.683 -9.031 961 1HG1 ILE 119 1HG1 ILE 119 5.830 3.947 -8.253 962 2HG1 ILE 119 2HG1 ILE 119 6.063 4.783 -9.788 963 1HG2 ILE 119 1HG2 ILE 119 4.512 8.045 -8.470 964 2HG2 ILE 119 2HG2 ILE 119 6.155 7.651 -7.940 965 3HG2 ILE 119 3HG2 ILE 119 5.703 7.468 -9.642 966 1HD1 ILE 119 1HD1 ILE 119 7.759 6.241 -8.848 967 2HD1 ILE 119 2HD1 ILE 119 7.519 5.566 -7.225 968 3HD1 ILE 119 3HD1 ILE 119 8.162 4.549 -8.524 969 H ARG 120 H ARG 120 5.347 3.762 -5.662 970 HA ARG 120 HA ARG 120 7.406 5.265 -4.270 971 1HB ARG 120 1HB ARG 120 6.640 4.783 -2.025 972 2HB ARG 120 2HB ARG 120 5.405 5.720 -2.884 973 1HG ARG 120 1HG ARG 120 4.252 3.464 -3.352 974 2HG ARG 120 2HG ARG 120 5.358 2.798 -2.123 975 1HD ARG 120 1HD ARG 120 3.306 5.023 -1.784 976 2HD ARG 120 2HD ARG 120 3.230 3.380 -1.115 977 HE ARG 120 HE ARG 120 5.625 4.688 -0.230 978 1HH1 ARG 120 1HH1 ARG 120 2.120 4.670 0.314 979 2HH1 ARG 120 2HH1 ARG 120 2.240 5.325 1.927 980 1HH2 ARG 120 1HH2 ARG 120 5.748 5.694 1.859 981 2HH2 ARG 120 2HH2 ARG 120 4.305 5.845 2.819 982 H ARG 121 H ARG 121 8.725 3.726 -2.918 983 HA ARG 121 HA ARG 121 8.600 0.938 -3.839 984 1HB ARG 121 1HB ARG 121 10.709 1.000 -5.009 985 2HB ARG 121 2HB ARG 121 9.643 2.224 -5.703 986 1HG ARG 121 1HG ARG 121 10.875 3.855 -4.012 987 2HG ARG 121 2HG ARG 121 12.099 2.574 -3.973 988 1HD ARG 121 1HD ARG 121 11.096 4.149 -6.377 989 2HD ARG 121 2HD ARG 121 12.704 4.226 -5.631 990 HE ARG 121 HE ARG 121 12.102 1.553 -6.533 991 1HH1 ARG 121 1HH1 ARG 121 13.012 4.770 -7.748 992 2HH1 ARG 121 2HH1 ARG 121 13.721 4.153 -9.213 993 1HH2 ARG 121 1HH2 ARG 121 13.057 0.755 -8.491 994 2HH2 ARG 121 2HH2 ARG 121 13.723 1.888 -9.637 995 H SER 122 H SER 122 10.163 -0.418 -2.828 996 HA SER 122 HA SER 122 11.355 0.632 -0.321 997 1HB SER 122 1HB SER 122 9.716 -1.929 -0.385 998 2HB SER 122 2HB SER 122 10.280 -1.017 1.019 999 HG SER 122 HG SER 122 8.841 0.699 0.189 1000 H LYS 123 H LYS 123 12.793 -1.004 0.685 1001 HA LYS 123 HA LYS 123 14.068 -2.832 -1.306 1002 1HB LYS 123 1HB LYS 123 15.296 -0.740 -1.274 1003 2HB LYS 123 2HB LYS 123 15.459 -0.797 0.487 1004 1HG LYS 123 1HG LYS 123 16.940 -2.621 0.439 1005 2HG LYS 123 2HG LYS 123 16.501 -3.090 -1.207 1006 1HD LYS 123 1HD LYS 123 17.931 -0.477 -0.582 1007 2HD LYS 123 2HD LYS 123 18.768 -2.007 -0.909 1008 1HE LYS 123 1HE LYS 123 17.574 -2.175 -3.110 1009 2HE LYS 123 2HE LYS 123 16.893 -0.559 -2.835 1010 1HZ LYS 123 1HZ LYS 123 18.822 -0.445 -4.169 1011 2HZ LYS 123 2HZ LYS 123 19.146 0.269 -2.720 1012 3HZ LYS 123 3HZ LYS 123 19.736 -1.235 -3.052 1013 H ARG 124 H ARG 124 14.693 -4.803 -0.500 1014 HA ARG 124 HA ARG 124 13.543 -5.768 1.849 1015 1HB ARG 124 1HB ARG 124 14.432 -7.044 -0.213 1016 2HB ARG 124 2HB ARG 124 16.029 -6.912 0.539 1017 1HG ARG 124 1HG ARG 124 14.852 -7.931 2.648 1018 2HG ARG 124 2HG ARG 124 13.555 -8.378 1.531 1019 1HD ARG 124 1HD ARG 124 16.495 -9.179 1.403 1020 2HD ARG 124 2HD ARG 124 15.139 -10.225 1.863 1021 HE ARG 124 HE ARG 124 14.554 -9.273 -0.708 1022 1HH1 ARG 124 1HH1 ARG 124 17.037 -11.293 0.845 1023 2HH1 ARG 124 2HH1 ARG 124 17.345 -12.235 -0.591 1024 1HH2 ARG 124 1HH2 ARG 124 14.978 -10.540 -2.586 1025 2HH2 ARG 124 2HH2 ARG 124 16.177 -11.806 -2.538 1026 H VAL 125 H VAL 125 14.217 -5.817 3.981 1027 HA VAL 125 HA VAL 125 16.995 -4.997 4.657 1028 HB VAL 125 HB VAL 125 15.437 -3.125 4.943 1029 1HG1 VAL 125 1HG1 VAL 125 13.723 -3.127 6.698 1030 2HG1 VAL 125 2HG1 VAL 125 13.336 -4.296 5.433 1031 3HG1 VAL 125 3HG1 VAL 125 13.988 -4.851 6.992 1032 1HG2 VAL 125 1HG2 VAL 125 16.084 -2.559 7.225 1033 2HG2 VAL 125 2HG2 VAL 125 16.408 -4.265 7.595 1034 3HG2 VAL 125 3HG2 VAL 125 17.414 -3.403 6.409 Start of MODEL 9 1 1H ALA 1 1H ALA 1 4.717 -16.398 -3.504 2 2H ALA 1 2H ALA 1 4.210 -14.996 -2.806 3 3H ALA 1 3H ALA 1 5.135 -14.950 -4.171 4 HA ALA 1 HA ALA 1 5.980 -15.946 -1.554 5 1HB ALA 1 1HB ALA 1 6.984 -17.202 -3.409 6 2HB ALA 1 2HB ALA 1 7.569 -15.690 -4.134 7 3HB ALA 1 3HB ALA 1 8.199 -16.230 -2.560 8 H PHE 2 H PHE 2 4.768 -13.582 -1.384 9 HA PHE 2 HA PHE 2 6.685 -11.373 -1.829 10 1HB PHE 2 1HB PHE 2 3.801 -11.529 -0.888 11 2HB PHE 2 2HB PHE 2 4.791 -10.077 -0.773 12 HD1 PHE 2 HD1 PHE 2 3.069 -8.891 -2.022 13 HD2 PHE 2 HD2 PHE 2 5.366 -12.083 -3.822 14 HE1 PHE 2 HE1 PHE 2 2.749 -7.889 -4.258 15 HE2 PHE 2 HE2 PHE 2 5.029 -11.081 -6.025 16 HZ PHE 2 HZ PHE 2 3.794 -8.939 -6.251 17 H SER 3 H SER 3 6.105 -13.661 0.632 18 HA SER 3 HA SER 3 6.155 -12.252 2.997 19 1HB SER 3 1HB SER 3 7.379 -14.350 3.866 20 2HB SER 3 2HB SER 3 5.796 -14.575 3.119 21 HG SER 3 HG SER 3 8.282 -14.843 1.780 22 H GLY 4 H GLY 4 7.571 -10.740 3.750 23 1HA GLY 4 1HA GLY 4 10.312 -11.132 4.128 24 2HA GLY 4 2HA GLY 4 10.139 -10.272 2.581 25 H THR 5 H THR 5 11.478 -8.886 4.286 26 HA THR 5 HA THR 5 9.654 -6.918 5.600 27 HB THR 5 HB THR 5 12.492 -7.746 6.325 28 HG1 THR 5 HG1 THR 5 10.809 -9.226 6.890 29 1HG2 THR 5 1HG2 THR 5 12.108 -5.359 6.842 30 2HG2 THR 5 2HG2 THR 5 10.576 -5.766 7.647 31 3HG2 THR 5 3HG2 THR 5 12.122 -6.314 8.329 32 H TRP 6 H TRP 6 9.986 -4.797 5.107 33 HA TRP 6 HA TRP 6 11.846 -4.121 2.895 34 1HB TRP 6 1HB TRP 6 8.804 -3.931 2.909 35 2HB TRP 6 2HB TRP 6 9.848 -3.272 1.650 36 HD1 TRP 6 HD1 TRP 6 8.393 -6.517 2.959 37 HE1 TRP 6 HE1 TRP 6 8.869 -8.452 1.296 38 HE3 TRP 6 HE3 TRP 6 11.416 -4.044 -0.315 39 HZ2 TRP 6 HZ2 TRP 6 10.493 -8.880 -1.026 40 HZ3 TRP 6 HZ3 TRP 6 12.488 -5.242 -2.184 41 HH2 TRP 6 HH2 TRP 6 12.028 -7.658 -2.567 42 H GLN 7 H GLN 7 12.058 -1.836 2.542 43 HA GLN 7 HA GLN 7 10.826 -0.012 4.517 44 1HB GLN 7 1HB GLN 7 12.942 -0.640 5.559 45 2HB GLN 7 2HB GLN 7 13.820 -0.357 4.053 46 1HG GLN 7 1HG GLN 7 14.120 1.485 5.678 47 2HG GLN 7 2HG GLN 7 13.404 2.029 4.163 48 1HE2 GLN 7 1HE2 GLN 7 12.441 0.874 7.459 49 2HE2 GLN 7 2HE2 GLN 7 11.073 1.960 7.608 50 H VAL 8 H VAL 8 10.121 1.736 3.511 51 HA VAL 8 HA VAL 8 10.352 2.139 0.695 52 HB VAL 8 HB VAL 8 9.448 4.045 2.879 53 1HG1 VAL 8 1HG1 VAL 8 8.234 5.184 1.007 54 2HG1 VAL 8 2HG1 VAL 8 9.979 5.288 0.814 55 3HG1 VAL 8 3HG1 VAL 8 9.047 4.121 -0.149 56 1HG2 VAL 8 1HG2 VAL 8 8.077 1.957 2.780 57 2HG2 VAL 8 2HG2 VAL 8 7.172 3.370 2.236 58 3HG2 VAL 8 3HG2 VAL 8 7.819 2.233 1.041 59 H TYR 9 H TYR 9 11.784 3.314 -0.485 60 HA TYR 9 HA TYR 9 13.800 4.999 0.955 61 1HB TYR 9 1HB TYR 9 15.324 4.648 -0.790 62 2HB TYR 9 2HB TYR 9 14.797 3.082 -0.193 63 HD1 TYR 9 HD1 TYR 9 13.338 1.639 -1.617 64 HD2 TYR 9 HD2 TYR 9 14.897 5.388 -3.048 65 HE1 TYR 9 HE1 TYR 9 12.987 0.892 -3.958 66 HE2 TYR 9 HE2 TYR 9 14.519 4.660 -5.381 67 HH TYR 9 HH TYR 9 12.863 1.612 -6.177 68 H ALA 10 H ALA 10 11.412 4.851 -1.696 69 HA ALA 10 HA ALA 10 11.615 7.828 -1.938 70 1HB ALA 10 1HB ALA 10 11.472 5.849 -4.250 71 2HB ALA 10 2HB ALA 10 11.396 7.620 -4.376 72 3HB ALA 10 3HB ALA 10 12.884 6.842 -3.807 73 H GLN 11 H GLN 11 9.714 8.877 -2.333 74 HA GLN 11 HA GLN 11 7.300 7.464 -3.105 75 1HB GLN 11 1HB GLN 11 5.963 8.485 -1.267 76 2HB GLN 11 2HB GLN 11 6.993 7.156 -0.754 77 1HG GLN 11 1HG GLN 11 8.103 9.948 -0.471 78 2HG GLN 11 2HG GLN 11 6.799 9.460 0.604 79 1HE2 GLN 11 1HE2 GLN 11 7.204 8.132 2.345 80 2HE2 GLN 11 2HE2 GLN 11 8.774 7.433 2.681 81 H GLU 12 H GLU 12 5.816 8.817 -4.140 82 HA GLU 12 HA GLU 12 6.292 11.687 -4.296 83 1HB GLU 12 1HB GLU 12 8.007 10.697 -5.831 84 2HB GLU 12 2HB GLU 12 6.704 9.889 -6.717 85 1HG GLU 12 1HG GLU 12 5.748 12.071 -7.347 86 2HG GLU 12 2HG GLU 12 6.986 12.901 -6.382 87 HE2 GLU 12 HE2 GLU 12 9.336 12.742 -8.922 88 H ASN 13 H ASN 13 4.545 12.770 -5.138 89 HA ASN 13 HA ASN 13 2.377 13.213 -5.382 90 1HB ASN 13 1HB ASN 13 2.983 11.876 -7.539 91 2HB ASN 13 2HB ASN 13 1.901 10.655 -6.889 92 1HD2 ASN 13 1HD2 ASN 13 -0.280 11.953 -5.951 93 2HD2 ASN 13 2HD2 ASN 13 -0.987 12.994 -7.173 94 H TYR 14 H TYR 14 3.360 11.667 -3.136 95 HA TYR 14 HA TYR 14 1.128 9.968 -2.182 96 1HB TYR 14 1HB TYR 14 3.330 9.002 -2.098 97 2HB TYR 14 2HB TYR 14 4.032 10.465 -1.422 98 HD1 TYR 14 HD1 TYR 14 1.446 7.852 -0.605 99 HD2 TYR 14 HD2 TYR 14 4.482 10.527 0.876 100 HE1 TYR 14 HE1 TYR 14 1.344 6.745 1.609 101 HE2 TYR 14 HE2 TYR 14 4.451 9.360 3.054 102 HH TYR 14 HH TYR 14 3.437 7.721 4.338 103 H GLU 15 H GLU 15 3.248 12.693 -1.300 104 HA GLU 15 HA GLU 15 1.969 13.704 0.949 105 1HB GLU 15 1HB GLU 15 4.166 14.350 -0.063 106 2HB GLU 15 2HB GLU 15 3.327 15.205 -1.353 107 1HG GLU 15 1HG GLU 15 3.188 15.871 1.624 108 2HG GLU 15 2HG GLU 15 4.223 16.667 0.431 109 HE2 GLU 15 HE2 GLU 15 0.840 18.343 1.027 110 H GLU 16 H GLU 16 1.276 14.248 -2.507 111 HA GLU 16 HA GLU 16 -0.774 16.162 -2.269 112 1HB GLU 16 1HB GLU 16 -0.060 14.068 -4.358 113 2HB GLU 16 2HB GLU 16 -1.481 15.100 -4.534 114 1HG GLU 16 1HG GLU 16 0.364 16.076 -5.749 115 2HG GLU 16 2HG GLU 16 -0.140 17.122 -4.418 116 HE2 GLU 16 HE2 GLU 16 3.251 17.442 -3.764 117 H PHE 17 H PHE 17 -1.000 12.573 -2.455 118 HA PHE 17 HA PHE 17 -3.836 12.404 -2.331 119 1HB PHE 17 1HB PHE 17 -2.750 10.438 -2.976 120 2HB PHE 17 2HB PHE 17 -1.534 10.546 -1.717 121 HD1 PHE 17 HD1 PHE 17 -1.678 9.129 0.139 122 HD2 PHE 17 HD2 PHE 17 -5.290 10.173 -1.978 123 HE1 PHE 17 HE1 PHE 17 -2.941 7.488 1.489 124 HE2 PHE 17 HE2 PHE 17 -6.569 8.629 -0.508 125 HZ PHE 17 HZ PHE 17 -5.381 7.185 1.122 126 H LEU 18 H LEU 18 -1.377 12.286 0.281 127 HA LEU 18 HA LEU 18 -3.302 11.923 2.369 128 1HB LEU 18 1HB LEU 18 -0.532 13.138 2.400 129 2HB LEU 18 2HB LEU 18 -1.430 12.637 3.843 130 HG LEU 18 HG LEU 18 -0.555 10.734 1.623 131 1HD1 LEU 18 1HD1 LEU 18 1.403 11.664 2.726 132 2HD1 LEU 18 2HD1 LEU 18 0.690 11.366 4.326 133 3HD1 LEU 18 3HD1 LEU 18 1.150 10.004 3.287 134 1HD2 LEU 18 1HD2 LEU 18 -1.705 10.220 4.394 135 2HD2 LEU 18 2HD2 LEU 18 -2.491 9.869 2.841 136 3HD2 LEU 18 3HD2 LEU 18 -1.033 8.988 3.305 137 H LYS 19 H LYS 19 -1.774 14.890 1.020 138 HA LYS 19 HA LYS 19 -3.094 16.677 2.770 139 1HB LYS 19 1HB LYS 19 -1.096 17.230 1.440 140 2HB LYS 19 2HB LYS 19 -2.054 17.169 -0.052 141 1HG LYS 19 1HG LYS 19 -3.443 19.042 0.764 142 2HG LYS 19 2HG LYS 19 -2.563 19.041 2.310 143 1HD LYS 19 1HD LYS 19 -0.454 19.558 1.069 144 2HD LYS 19 2HD LYS 19 -1.377 19.655 -0.439 145 1HE LYS 19 1HE LYS 19 -1.775 21.412 2.034 146 2HE LYS 19 2HE LYS 19 -0.948 21.892 0.544 147 1HZ LYS 19 1HZ LYS 19 -3.783 21.161 0.769 148 2HZ LYS 19 2HZ LYS 19 -3.178 22.678 0.574 149 3HZ LYS 19 3HZ LYS 19 -3.008 21.567 -0.631 150 H ALA 20 H ALA 20 -4.198 15.065 -0.219 151 HA ALA 20 HA ALA 20 -6.550 16.691 -0.546 152 1HB ALA 20 1HB ALA 20 -6.101 13.828 -1.461 153 2HB ALA 20 2HB ALA 20 -7.291 14.990 -2.068 154 3HB ALA 20 3HB ALA 20 -5.563 15.279 -2.340 155 H LEU 21 H LEU 21 -5.699 14.005 1.623 156 HA LEU 21 HA LEU 21 -8.488 13.574 2.452 157 1HB LEU 21 1HB LEU 21 -5.839 12.564 3.560 158 2HB LEU 21 2HB LEU 21 -7.413 12.119 4.195 159 HG LEU 21 HG LEU 21 -6.537 11.504 1.347 160 1HD1 LEU 21 1HD1 LEU 21 -5.125 10.279 2.883 161 2HD1 LEU 21 2HD1 LEU 21 -6.504 9.901 3.935 162 3HD1 LEU 21 3HD1 LEU 21 -6.388 9.158 2.335 163 1HD2 LEU 21 1HD2 LEU 21 -8.990 11.586 1.579 164 2HD2 LEU 21 2HD2 LEU 21 -8.449 9.908 1.468 165 3HD2 LEU 21 3HD2 LEU 21 -8.904 10.582 3.046 166 H ALA 22 H ALA 22 -8.548 13.545 5.047 167 HA ALA 22 HA ALA 22 -8.958 16.127 5.899 168 1HB ALA 22 1HB ALA 22 -8.330 13.680 7.597 169 2HB ALA 22 2HB ALA 22 -9.186 15.141 8.139 170 3HB ALA 22 3HB ALA 22 -9.917 14.089 6.911 171 H LEU 23 H LEU 23 -5.930 14.307 6.103 172 HA LEU 23 HA LEU 23 -4.492 15.612 8.049 173 1HB LEU 23 1HB LEU 23 -3.772 14.368 5.424 174 2HB LEU 23 2HB LEU 23 -2.515 15.162 6.360 175 HG LEU 23 HG LEU 23 -4.281 13.068 7.648 176 1HD1 LEU 23 1HD1 LEU 23 -2.562 11.398 7.098 177 2HD1 LEU 23 2HD1 LEU 23 -3.285 12.054 5.618 178 3HD1 LEU 23 3HD1 LEU 23 -1.673 12.599 6.142 179 1HD2 LEU 23 1HD2 LEU 23 -2.240 12.821 9.086 180 2HD2 LEU 23 2HD2 LEU 23 -1.438 14.102 8.158 181 3HD2 LEU 23 3HD2 LEU 23 -2.861 14.478 9.147 182 HA PRO 24 HA PRO 24 -4.523 19.729 6.105 183 1HB PRO 24 1HB PRO 24 -3.833 21.251 8.247 184 2HB PRO 24 2HB PRO 24 -5.414 20.419 8.168 185 1HG PRO 24 1HG PRO 24 -2.894 19.448 9.548 186 2HG PRO 24 2HG PRO 24 -4.537 19.592 10.244 187 1HD PRO 24 1HD PRO 24 -3.580 17.248 9.213 188 2HD PRO 24 2HD PRO 24 -5.301 17.706 9.056 189 H GLU 25 H GLU 25 -2.861 21.462 5.816 190 HA GLU 25 HA GLU 25 -0.498 20.640 4.751 191 1HB GLU 25 1HB GLU 25 0.148 22.963 4.764 192 2HB GLU 25 2HB GLU 25 -1.576 22.794 4.406 193 1HG GLU 25 1HG GLU 25 -2.098 23.395 6.792 194 2HG GLU 25 2HG GLU 25 -0.362 23.650 7.070 195 HE2 GLU 25 HE2 GLU 25 -1.492 26.946 6.523 196 H ASP 26 H ASP 26 -1.050 21.514 8.159 197 HA ASP 26 HA ASP 26 1.694 21.693 8.885 198 1HB ASP 26 1HB ASP 26 -0.805 21.218 10.586 199 2HB ASP 26 2HB ASP 26 0.768 21.775 11.167 200 HD2 ASP 26 HD2 ASP 26 0.296 25.075 10.152 201 H LEU 27 H LEU 27 -0.747 19.121 9.602 202 HA LEU 27 HA LEU 27 1.283 17.498 10.876 203 1HB LEU 27 1HB LEU 27 -1.495 16.673 9.989 204 2HB LEU 27 2HB LEU 27 -0.457 15.845 11.150 205 HG LEU 27 HG LEU 27 -1.772 18.577 11.515 206 1HD1 LEU 27 1HD1 LEU 27 -3.281 16.640 11.730 207 2HD1 LEU 27 2HD1 LEU 27 -2.182 15.901 12.915 208 3HD1 LEU 27 3HD1 LEU 27 -3.014 17.422 13.298 209 1HD2 LEU 27 1HD2 LEU 27 0.080 17.063 13.408 210 2HD2 LEU 27 2HD2 LEU 27 0.408 18.637 12.640 211 3HD2 LEU 27 3HD2 LEU 27 -0.885 18.493 13.831 212 H ILE 28 H ILE 28 -0.141 17.581 7.615 213 HA ILE 28 HA ILE 28 0.906 15.075 6.789 214 HB ILE 28 HB ILE 28 -0.911 16.553 5.740 215 1HG1 ILE 28 1HG1 ILE 28 -0.499 14.459 4.818 216 2HG1 ILE 28 2HG1 ILE 28 -0.526 15.613 3.480 217 1HG2 ILE 28 1HG2 ILE 28 0.449 18.555 5.394 218 2HG2 ILE 28 2HG2 ILE 28 1.385 17.721 4.145 219 3HG2 ILE 28 3HG2 ILE 28 -0.358 17.985 3.930 220 1HD1 ILE 28 1HD1 ILE 28 2.067 15.597 3.667 221 2HD1 ILE 28 2HD1 ILE 28 1.825 14.133 4.673 222 3HD1 ILE 28 3HD1 ILE 28 1.285 14.163 3.008 223 H LYS 29 H LYS 29 2.300 18.407 6.845 224 HA LYS 29 HA LYS 29 4.577 18.027 5.311 225 1HB LYS 29 1HB LYS 29 3.883 20.165 6.254 226 2HB LYS 29 2HB LYS 29 4.273 19.602 7.890 227 1HG LYS 29 1HG LYS 29 6.651 19.419 7.282 228 2HG LYS 29 2HG LYS 29 6.276 19.922 5.619 229 1HD LYS 29 1HD LYS 29 5.492 22.105 6.447 230 2HD LYS 29 2HD LYS 29 5.715 21.571 8.127 231 1HE LYS 29 1HE LYS 29 8.157 21.274 7.694 232 2HE LYS 29 2HE LYS 29 7.928 21.896 6.048 233 1HZ LYS 29 1HZ LYS 29 7.396 23.352 8.545 234 2HZ LYS 29 2HZ LYS 29 8.679 23.583 7.542 235 3HZ LYS 29 3HZ LYS 29 7.157 23.950 7.027 236 H MET 30 H MET 30 3.931 16.744 8.578 237 HA MET 30 HA MET 30 6.733 16.065 9.072 238 1HB MET 30 1HB MET 30 5.178 16.672 10.889 239 2HB MET 30 2HB MET 30 4.198 15.246 10.531 240 1HG MET 30 1HG MET 30 6.190 13.809 11.016 241 2HG MET 30 2HG MET 30 7.111 15.264 11.423 242 1HE MET 30 1HE MET 30 7.769 14.049 13.698 243 2HE MET 30 2HE MET 30 6.587 13.490 14.902 244 3HE MET 30 3HE MET 30 6.742 12.634 13.356 245 H ALA 31 H ALA 31 3.698 14.222 8.442 246 HA ALA 31 HA ALA 31 4.802 11.655 8.262 247 1HB ALA 31 1HB ALA 31 2.713 11.084 7.055 248 2HB ALA 31 2HB ALA 31 2.410 12.080 8.492 249 3HB ALA 31 3HB ALA 31 2.353 12.815 6.875 250 H ARG 32 H ARG 32 4.543 14.139 5.771 251 HA ARG 32 HA ARG 32 5.179 12.872 3.407 252 1HB ARG 32 1HB ARG 32 4.712 15.290 3.723 253 2HB ARG 32 2HB ARG 32 6.290 15.480 4.505 254 1HG ARG 32 1HG ARG 32 7.386 14.723 2.348 255 2HG ARG 32 2HG ARG 32 5.772 14.704 1.610 256 1HD ARG 32 1HD ARG 32 5.554 17.140 2.262 257 2HD ARG 32 2HD ARG 32 7.216 17.073 2.874 258 HE ARG 32 HE ARG 32 7.256 16.127 0.214 259 1HH1 ARG 32 1HH1 ARG 32 6.654 19.147 1.973 260 2HH1 ARG 32 2HH1 ARG 32 7.165 20.172 0.656 261 1HH2 ARG 32 1HH2 ARG 32 7.934 17.488 -1.519 262 2HH2 ARG 32 2HH2 ARG 32 7.897 19.223 -1.334 263 H ASP 33 H ASP 33 7.377 13.672 6.114 264 HA ASP 33 HA ASP 33 9.682 12.447 4.647 265 1HB ASP 33 1HB ASP 33 9.737 14.932 4.985 266 2HB ASP 33 2HB ASP 33 9.660 14.668 6.732 267 HD2 ASP 33 HD2 ASP 33 13.101 14.329 6.887 268 H ILE 34 H ILE 34 7.925 10.796 5.946 269 HA ILE 34 HA ILE 34 9.756 9.680 7.998 270 HB ILE 34 HB ILE 34 6.717 9.740 8.070 271 1HG1 ILE 34 1HG1 ILE 34 8.893 10.550 10.065 272 2HG1 ILE 34 2HG1 ILE 34 7.914 11.654 9.092 273 1HG2 ILE 34 1HG2 ILE 34 6.857 8.186 9.980 274 2HG2 ILE 34 2HG2 ILE 34 7.435 7.417 8.515 275 3HG2 ILE 34 3HG2 ILE 34 8.601 7.995 9.728 276 1HD1 ILE 34 1HD1 ILE 34 5.856 10.725 10.221 277 2HD1 ILE 34 2HD1 ILE 34 6.943 9.893 11.359 278 3HD1 ILE 34 3HD1 ILE 34 6.967 11.650 11.255 279 H LYS 35 H LYS 35 10.334 7.661 7.569 280 HA LYS 35 HA LYS 35 9.418 6.427 5.033 281 1HB LYS 35 1HB LYS 35 11.665 5.424 4.954 282 2HB LYS 35 2HB LYS 35 11.576 7.172 4.801 283 1HG LYS 35 1HG LYS 35 12.267 7.388 7.226 284 2HG LYS 35 2HG LYS 35 12.549 5.635 7.240 285 1HD LYS 35 1HD LYS 35 14.185 5.904 5.399 286 2HD LYS 35 2HD LYS 35 13.842 7.647 5.349 287 1HE LYS 35 1HE LYS 35 14.591 7.837 7.737 288 2HE LYS 35 2HE LYS 35 15.033 6.118 7.706 289 1HZ LYS 35 1HZ LYS 35 16.579 6.628 5.950 290 2HZ LYS 35 2HZ LYS 35 16.159 8.222 5.990 291 3HZ LYS 35 3HZ LYS 35 16.898 7.533 7.290 292 HA PRO 36 HA PRO 36 7.836 3.789 8.382 293 1HB PRO 36 1HB PRO 36 5.800 2.534 7.070 294 2HB PRO 36 2HB PRO 36 5.726 4.260 7.532 295 1HG PRO 36 1HG PRO 36 6.518 3.117 4.842 296 2HG PRO 36 2HG PRO 36 5.320 4.403 5.178 297 1HD PRO 36 1HD PRO 36 7.879 4.965 4.465 298 2HD PRO 36 2HD PRO 36 7.027 5.972 5.677 299 H ILE 37 H ILE 37 8.122 1.641 9.004 300 HA ILE 37 HA ILE 37 9.695 -0.064 7.192 301 HB ILE 37 HB ILE 37 10.353 0.206 9.579 302 1HG1 ILE 37 1HG1 ILE 37 10.617 -2.275 10.062 303 2HG1 ILE 37 2HG1 ILE 37 9.713 -2.595 8.580 304 1HG2 ILE 37 1HG2 ILE 37 7.916 -1.505 10.215 305 2HG2 ILE 37 2HG2 ILE 37 9.151 -0.941 11.350 306 3HG2 ILE 37 3HG2 ILE 37 8.071 0.229 10.592 307 1HD1 ILE 37 1HD1 ILE 37 11.486 -1.337 7.305 308 2HD1 ILE 37 2HD1 ILE 37 12.341 -1.052 8.834 309 3HD1 ILE 37 3HD1 ILE 37 12.142 -2.701 8.213 310 H VAL 38 H VAL 38 8.930 -1.876 6.267 311 HA VAL 38 HA VAL 38 5.987 -2.394 6.376 312 HB VAL 38 HB VAL 38 7.871 -2.232 3.995 313 1HG1 VAL 38 1HG1 VAL 38 4.920 -3.001 4.122 314 2HG1 VAL 38 2HG1 VAL 38 5.797 -2.599 2.632 315 3HG1 VAL 38 3HG1 VAL 38 6.269 -4.020 3.568 316 1HG2 VAL 38 1HG2 VAL 38 6.381 -0.392 3.261 317 2HG2 VAL 38 2HG2 VAL 38 5.497 -0.504 4.796 318 3HG2 VAL 38 3HG2 VAL 38 7.203 -0.014 4.774 319 H GLU 39 H GLU 39 5.357 -4.553 6.098 320 HA GLU 39 HA GLU 39 7.380 -6.647 5.853 321 1HB GLU 39 1HB GLU 39 7.199 -5.828 8.338 322 2HB GLU 39 2HB GLU 39 5.646 -6.662 8.355 323 1HG GLU 39 1HG GLU 39 8.394 -7.835 7.734 324 2HG GLU 39 2HG GLU 39 7.496 -8.047 9.240 325 HE2 GLU 39 HE2 GLU 39 7.087 -10.696 6.442 326 H ILE 40 H ILE 40 6.484 -8.155 4.560 327 HA ILE 40 HA ILE 40 3.523 -8.517 4.561 328 HB ILE 40 HB ILE 40 5.551 -9.040 2.347 329 1HG1 ILE 40 1HG1 ILE 40 3.748 -7.407 1.207 330 2HG1 ILE 40 2HG1 ILE 40 3.528 -6.852 2.868 331 1HG2 ILE 40 1HG2 ILE 40 3.507 -9.627 1.017 332 2HG2 ILE 40 2HG2 ILE 40 3.842 -10.771 2.311 333 3HG2 ILE 40 3HG2 ILE 40 2.555 -9.555 2.503 334 1HD1 ILE 40 1HD1 ILE 40 6.133 -6.932 1.265 335 2HD1 ILE 40 2HD1 ILE 40 5.162 -5.493 1.631 336 3HD1 ILE 40 3HD1 ILE 40 6.002 -6.340 2.937 337 H GLN 41 H GLN 41 2.763 -10.530 4.937 338 HA GLN 41 HA GLN 41 4.650 -12.813 5.256 339 1HB GLN 41 1HB GLN 41 4.075 -11.929 7.491 340 2HB GLN 41 2HB GLN 41 2.350 -12.055 7.114 341 1HG GLN 41 1HG GLN 41 2.567 -14.510 6.869 342 2HG GLN 41 2HG GLN 41 4.305 -14.400 7.193 343 1HE2 GLN 41 1HE2 GLN 41 4.884 -13.287 9.359 344 2HE2 GLN 41 2HE2 GLN 41 3.865 -13.686 10.725 345 H GLN 42 H GLN 42 3.870 -14.671 4.278 346 HA GLN 42 HA GLN 42 1.074 -14.998 3.645 347 1HB GLN 42 1HB GLN 42 1.287 -15.104 1.212 348 2HB GLN 42 2HB GLN 42 1.741 -13.511 1.807 349 1HG GLN 42 1HG GLN 42 3.291 -14.027 0.122 350 2HG GLN 42 2HG GLN 42 4.161 -14.198 1.639 351 1HE2 GLN 42 1HE2 GLN 42 5.605 -15.938 1.444 352 2HE2 GLN 42 2HE2 GLN 42 5.214 -17.450 0.660 353 H LYS 43 H LYS 43 0.731 -17.106 2.485 354 HA LYS 43 HA LYS 43 2.920 -18.999 2.426 355 1HB LYS 43 1HB LYS 43 1.940 -20.604 4.046 356 2HB LYS 43 2HB LYS 43 2.614 -19.146 4.769 357 1HG LYS 43 1HG LYS 43 0.309 -18.194 4.989 358 2HG LYS 43 2HG LYS 43 -0.353 -19.720 4.371 359 1HD LYS 43 1HD LYS 43 0.743 -20.942 6.225 360 2HD LYS 43 2HD LYS 43 1.396 -19.413 6.849 361 1HE LYS 43 1HE LYS 43 -0.924 -18.558 7.163 362 2HE LYS 43 2HE LYS 43 -1.565 -20.099 6.558 363 1HZ LYS 43 1HZ LYS 43 -1.529 -20.035 8.932 364 2HZ LYS 43 2HZ LYS 43 -0.483 -21.189 8.391 365 3HZ LYS 43 3HZ LYS 43 0.093 -19.751 8.957 366 H GLY 44 H GLY 44 1.926 -18.394 0.277 367 1HA GLY 44 1HA GLY 44 1.220 -19.657 -1.554 368 2HA GLY 44 2HA GLY 44 0.217 -20.677 -0.527 369 H ASP 45 H ASP 45 -1.779 -19.775 0.300 370 HA ASP 45 HA ASP 45 -3.089 -18.194 -1.807 371 1HB ASP 45 1HB ASP 45 -4.228 -19.824 0.478 372 2HB ASP 45 2HB ASP 45 -5.172 -19.007 -0.773 373 HD2 ASP 45 HD2 ASP 45 -4.380 -21.275 -3.317 374 H ASP 46 H ASP 46 -2.868 -18.094 1.817 375 HA ASP 46 HA ASP 46 -4.277 -15.528 1.809 376 1HB ASP 46 1HB ASP 46 -4.222 -15.606 4.169 377 2HB ASP 46 2HB ASP 46 -4.698 -17.195 3.570 378 HD2 ASP 46 HD2 ASP 46 -1.184 -16.684 5.548 379 H PHE 47 H PHE 47 -3.446 -13.549 2.258 380 HA PHE 47 HA PHE 47 -0.513 -13.180 2.564 381 1HB PHE 47 1HB PHE 47 -2.405 -11.782 0.648 382 2HB PHE 47 2HB PHE 47 -0.817 -11.150 1.072 383 HD1 PHE 47 HD1 PHE 47 -2.577 -14.000 -0.548 384 HD2 PHE 47 HD2 PHE 47 1.118 -11.824 -0.176 385 HE1 PHE 47 HE1 PHE 47 -1.529 -15.508 -2.214 386 HE2 PHE 47 HE2 PHE 47 2.101 -13.205 -1.988 387 HZ PHE 47 HZ PHE 47 0.806 -15.105 -2.954 388 H VAL 48 H VAL 48 0.017 -11.546 3.913 389 HA VAL 48 HA VAL 48 -2.082 -9.793 5.078 390 HB VAL 48 HB VAL 48 0.185 -11.193 6.534 391 1HG1 VAL 48 1HG1 VAL 48 -0.822 -10.157 8.578 392 2HG1 VAL 48 2HG1 VAL 48 -0.200 -8.946 7.455 393 3HG1 VAL 48 3HG1 VAL 48 -1.945 -9.253 7.542 394 1HG2 VAL 48 1HG2 VAL 48 -2.822 -11.608 6.753 395 2HG2 VAL 48 2HG2 VAL 48 -1.638 -12.777 6.135 396 3HG2 VAL 48 3HG2 VAL 48 -1.610 -12.310 7.840 397 H VAL 49 H VAL 49 -1.490 -7.723 4.855 398 HA VAL 49 HA VAL 49 1.352 -6.990 4.283 399 HB VAL 49 HB VAL 49 -1.277 -5.725 3.439 400 1HG1 VAL 49 1HG1 VAL 49 0.134 -4.055 2.238 401 2HG1 VAL 49 2HG1 VAL 49 0.287 -3.917 3.991 402 3HG1 VAL 49 3HG1 VAL 49 1.572 -4.711 3.053 403 1HG2 VAL 49 1HG2 VAL 49 -0.425 -6.137 1.153 404 2HG2 VAL 49 2HG2 VAL 49 0.969 -7.002 1.840 405 3HG2 VAL 49 3HG2 VAL 49 -0.677 -7.633 2.066 406 H THR 50 H THR 50 2.300 -5.871 5.864 407 HA THR 50 HA THR 50 0.663 -4.369 7.847 408 HB THR 50 HB THR 50 2.983 -6.260 8.433 409 HG1 THR 50 HG1 THR 50 1.358 -7.430 9.491 410 1HG2 THR 50 1HG2 THR 50 3.025 -4.359 9.983 411 2HG2 THR 50 2HG2 THR 50 1.280 -4.528 10.277 412 3HG2 THR 50 3HG2 THR 50 2.406 -5.791 10.817 413 H SER 51 H SER 51 1.519 -2.446 8.462 414 HA SER 51 HA SER 51 4.267 -1.733 7.724 415 1HB SER 51 1HB SER 51 1.825 -0.073 6.952 416 2HB SER 51 2HB SER 51 3.523 0.389 6.717 417 HG SER 51 HG SER 51 3.667 -1.612 5.447 418 H LYS 52 H LYS 52 5.198 -0.515 9.297 419 HA LYS 52 HA LYS 52 3.461 0.593 11.467 420 1HB LYS 52 1HB LYS 52 4.529 -1.488 12.181 421 2HB LYS 52 2HB LYS 52 6.128 -0.825 11.798 422 1HG LYS 52 1HG LYS 52 5.825 0.957 13.461 423 2HG LYS 52 2HG LYS 52 4.141 0.453 13.724 424 1HD LYS 52 1HD LYS 52 5.093 -1.821 14.455 425 2HD LYS 52 2HD LYS 52 6.683 -1.039 14.482 426 1HE LYS 52 1HE LYS 52 4.193 -0.199 16.052 427 2HE LYS 52 2HE LYS 52 5.610 -1.034 16.714 428 1HZ LYS 52 1HZ LYS 52 5.706 1.282 17.169 429 2HZ LYS 52 2HZ LYS 52 6.919 0.898 16.121 430 3HZ LYS 52 3HZ LYS 52 5.569 1.674 15.576 431 H THR 53 H THR 53 4.081 2.534 12.291 432 HA THR 53 HA THR 53 6.390 3.967 11.095 433 HB THR 53 HB THR 53 3.662 5.226 11.284 434 HG1 THR 53 HG1 THR 53 4.572 3.569 9.185 435 1HG2 THR 53 1HG2 THR 53 5.236 6.833 10.753 436 2HG2 THR 53 2HG2 THR 53 6.004 5.795 9.503 437 3HG2 THR 53 3HG2 THR 53 4.386 6.473 9.252 438 HA PRO 54 HA PRO 54 6.619 5.295 15.352 439 1HB PRO 54 1HB PRO 54 7.719 7.824 15.205 440 2HB PRO 54 2HB PRO 54 8.618 6.303 14.947 441 1HG PRO 54 1HG PRO 54 7.361 8.066 12.833 442 2HG PRO 54 2HG PRO 54 9.039 7.447 12.875 443 1HD PRO 54 1HD PRO 54 7.205 6.172 11.419 444 2HD PRO 54 2HD PRO 54 8.266 5.190 12.435 445 H ARG 55 H ARG 55 4.567 6.966 13.087 446 HA ARG 55 HA ARG 55 2.775 7.676 15.320 447 1HB ARG 55 1HB ARG 55 2.327 9.908 14.339 448 2HB ARG 55 2HB ARG 55 3.955 9.760 14.994 449 1HG ARG 55 1HG ARG 55 4.991 9.746 12.924 450 2HG ARG 55 2HG ARG 55 3.570 9.164 12.048 451 1HD ARG 55 1HD ARG 55 3.682 11.919 13.327 452 2HD ARG 55 2HD ARG 55 4.183 11.580 11.658 453 HE ARG 55 HE ARG 55 1.562 10.518 12.174 454 1HH1 ARG 55 1HH1 ARG 55 3.245 13.567 11.536 455 2HH1 ARG 55 2HH1 ARG 55 1.936 14.269 10.616 456 1HH2 ARG 55 1HH2 ARG 55 -0.198 11.461 11.032 457 2HH2 ARG 55 2HH2 ARG 55 -0.061 13.076 10.385 458 H GLN 56 H GLN 56 2.646 5.475 13.573 459 HA GLN 56 HA GLN 56 -0.031 5.586 12.730 460 1HB GLN 56 1HB GLN 56 1.847 6.574 10.708 461 2HB GLN 56 2HB GLN 56 1.179 5.047 10.166 462 1HG GLN 56 1HG GLN 56 -0.455 7.464 11.043 463 2HG GLN 56 2HG GLN 56 -0.083 7.008 9.378 464 1HE2 GLN 56 1HE2 GLN 56 -2.720 7.370 10.173 465 2HE2 GLN 56 2HE2 GLN 56 -3.530 5.818 10.168 466 H THR 57 H THR 57 -0.703 3.479 11.934 467 HA THR 57 HA THR 57 1.238 1.468 11.302 468 HB THR 57 HB THR 57 -0.443 1.075 13.808 469 HG1 THR 57 HG1 THR 57 1.478 0.858 14.844 470 1HG2 THR 57 1HG2 THR 57 -0.351 -1.019 12.405 471 2HG2 THR 57 2HG2 THR 57 1.421 -0.891 12.395 472 3HG2 THR 57 3HG2 THR 57 0.553 -1.187 13.915 473 H VAL 58 H VAL 58 0.295 0.222 9.754 474 HA VAL 58 HA VAL 58 -2.657 0.169 9.509 475 HB VAL 58 HB VAL 58 -0.643 0.529 7.250 476 1HG1 VAL 58 1HG1 VAL 58 -2.627 -0.779 6.561 477 2HG1 VAL 58 2HG1 VAL 58 -3.687 0.479 7.240 478 3HG1 VAL 58 3HG1 VAL 58 -2.658 0.834 5.841 479 1HG2 VAL 58 1HG2 VAL 58 -0.852 2.640 8.450 480 2HG2 VAL 58 2HG2 VAL 58 -1.778 2.753 6.951 481 3HG2 VAL 58 3HG2 VAL 58 -2.626 2.492 8.490 482 H THR 59 H THR 59 -3.441 -1.861 9.251 483 HA THR 59 HA THR 59 -1.662 -4.055 8.365 484 HB THR 59 HB THR 59 -3.283 -4.038 10.947 485 HG1 THR 59 HG1 THR 59 -1.168 -4.401 11.824 486 1HG2 THR 59 1HG2 THR 59 -2.374 -6.288 11.316 487 2HG2 THR 59 2HG2 THR 59 -3.342 -6.274 9.837 488 3HG2 THR 59 3HG2 THR 59 -1.567 -6.255 9.734 489 H ASN 60 H ASN 60 -2.697 -5.413 7.014 490 HA ASN 60 HA ASN 60 -5.582 -5.723 6.918 491 1HB ASN 60 1HB ASN 60 -5.218 -5.089 4.298 492 2HB ASN 60 2HB ASN 60 -5.883 -4.010 5.521 493 1HD2 ASN 60 1HD2 ASN 60 -2.464 -4.956 4.869 494 2HD2 ASN 60 2HD2 ASN 60 -1.906 -3.330 4.566 495 H SER 61 H SER 61 -6.220 -7.350 5.323 496 HA SER 61 HA SER 61 -4.101 -9.093 4.307 497 1HB SER 61 1HB SER 61 -4.925 -11.048 5.605 498 2HB SER 61 2HB SER 61 -4.281 -9.784 6.675 499 HG SER 61 HG SER 61 -6.305 -10.626 7.372 500 H PHE 62 H PHE 62 -4.936 -10.876 3.081 501 HA PHE 62 HA PHE 62 -7.679 -11.025 2.235 502 1HB PHE 62 1HB PHE 62 -7.153 -10.223 -0.160 503 2HB PHE 62 2HB PHE 62 -7.373 -8.995 1.067 504 HD1 PHE 62 HD1 PHE 62 -4.708 -10.848 -0.809 505 HD2 PHE 62 HD2 PHE 62 -5.719 -7.382 1.555 506 HE1 PHE 62 HE1 PHE 62 -2.406 -9.980 -1.059 507 HE2 PHE 62 HE2 PHE 62 -3.434 -6.482 1.212 508 HZ PHE 62 HZ PHE 62 -1.807 -7.737 -0.196 509 H THR 63 H THR 63 -7.759 -12.406 0.147 510 HA THR 63 HA THR 63 -5.584 -14.416 0.064 511 HB THR 63 HB THR 63 -8.519 -14.995 0.655 512 HG1 THR 63 HG1 THR 63 -6.209 -15.137 2.262 513 1HG2 THR 63 1HG2 THR 63 -7.541 -16.840 -0.662 514 2HG2 THR 63 2HG2 THR 63 -6.148 -16.895 0.444 515 3HG2 THR 63 3HG2 THR 63 -7.764 -17.327 1.023 516 H LEU 64 H LEU 64 -5.722 -15.760 -1.868 517 HA LEU 64 HA LEU 64 -6.096 -14.129 -4.110 518 1HB LEU 64 1HB LEU 64 -5.927 -17.173 -4.032 519 2HB LEU 64 2HB LEU 64 -5.683 -16.154 -5.456 520 HG LEU 64 HG LEU 64 -3.926 -16.310 -2.983 521 1HD1 LEU 64 1HD1 LEU 64 -2.246 -17.112 -4.556 522 2HD1 LEU 64 2HD1 LEU 64 -3.703 -18.118 -4.676 523 3HD1 LEU 64 3HD1 LEU 64 -3.369 -16.891 -5.917 524 1HD2 LEU 64 1HD2 LEU 64 -3.824 -14.389 -5.318 525 2HD2 LEU 64 2HD2 LEU 64 -3.890 -13.973 -3.590 526 3HD2 LEU 64 3HD2 LEU 64 -2.429 -14.697 -4.276 527 H GLY 65 H GLY 65 -7.867 -13.324 -4.882 528 1HA GLY 65 1HA GLY 65 -9.881 -13.154 -5.913 529 2HA GLY 65 2HA GLY 65 -9.903 -14.917 -6.105 530 H LYS 66 H LYS 66 -9.697 -13.009 -3.081 531 HA LYS 66 HA LYS 66 -12.325 -14.141 -2.211 532 1HB LYS 66 1HB LYS 66 -9.890 -15.032 -1.395 533 2HB LYS 66 2HB LYS 66 -10.144 -13.737 -0.220 534 1HG LYS 66 1HG LYS 66 -12.013 -16.088 -0.802 535 2HG LYS 66 2HG LYS 66 -10.880 -15.967 0.551 536 1HD LYS 66 1HD LYS 66 -12.120 -13.915 1.341 537 2HD LYS 66 2HD LYS 66 -13.343 -14.246 0.087 538 1HE LYS 66 1HE LYS 66 -13.708 -16.507 1.065 539 2HE LYS 66 2HE LYS 66 -12.568 -16.105 2.363 540 1HZ LYS 66 1HZ LYS 66 -14.794 -15.728 3.047 541 2HZ LYS 66 2HZ LYS 66 -14.020 -14.274 2.947 542 3HZ LYS 66 3HZ LYS 66 -15.091 -14.721 1.775 543 H GLU 67 H GLU 67 -13.697 -12.749 -1.377 544 HA GLU 67 HA GLU 67 -13.517 -9.997 -1.223 545 1HB GLU 67 1HB GLU 67 -15.568 -11.415 -1.165 546 2HB GLU 67 2HB GLU 67 -15.165 -11.885 0.495 547 1HG GLU 67 1HG GLU 67 -15.281 -9.424 1.126 548 2HG GLU 67 2HG GLU 67 -15.798 -9.090 -0.536 549 HE2 GLU 67 HE2 GLU 67 -18.274 -11.161 1.987 550 H ALA 68 H ALA 68 -12.454 -8.639 0.077 551 HA ALA 68 HA ALA 68 -11.863 -9.276 2.894 552 1HB ALA 68 1HB ALA 68 -9.913 -10.160 1.627 553 2HB ALA 68 2HB ALA 68 -9.737 -8.591 0.808 554 3HB ALA 68 3HB ALA 68 -9.463 -8.717 2.553 555 H ASP 69 H ASP 69 -10.678 -7.352 3.846 556 HA ASP 69 HA ASP 69 -11.620 -4.733 2.768 557 1HB ASP 69 1HB ASP 69 -11.638 -3.986 5.125 558 2HB ASP 69 2HB ASP 69 -12.808 -5.280 4.834 559 HD2 ASP 69 HD2 ASP 69 -9.734 -5.821 7.383 560 H ILE 70 H ILE 70 -10.061 -3.087 2.791 561 HA ILE 70 HA ILE 70 -7.353 -3.756 3.820 562 HB ILE 70 HB ILE 70 -7.889 -2.266 1.236 563 1HG1 ILE 70 1HG1 ILE 70 -7.007 -5.142 1.786 564 2HG1 ILE 70 2HG1 ILE 70 -8.416 -4.607 0.855 565 1HG2 ILE 70 1HG2 ILE 70 -5.818 -1.625 2.538 566 2HG2 ILE 70 2HG2 ILE 70 -5.284 -3.316 2.394 567 3HG2 ILE 70 3HG2 ILE 70 -5.488 -2.298 0.950 568 1HD1 ILE 70 1HD1 ILE 70 -6.742 -5.380 -0.663 569 2HD1 ILE 70 2HD1 ILE 70 -6.842 -3.610 -0.834 570 3HD1 ILE 70 3HD1 ILE 70 -5.490 -4.365 0.056 571 H THR 71 H THR 71 -6.409 -2.099 4.956 572 HA THR 71 HA THR 71 -8.312 -0.089 5.910 573 HB THR 71 HB THR 71 -5.543 -0.852 6.891 574 HG1 THR 71 HG1 THR 71 -8.152 -1.519 7.764 575 1HG2 THR 71 1HG2 THR 71 -6.311 0.322 8.983 576 2HG2 THR 71 2HG2 THR 71 -6.133 1.442 7.624 577 3HG2 THR 71 3HG2 THR 71 -7.748 0.894 8.112 578 H THR 72 H THR 72 -8.492 1.616 4.584 579 HA THR 72 HA THR 72 -6.396 2.854 3.078 580 HB THR 72 HB THR 72 -8.967 4.144 4.090 581 HG1 THR 72 HG1 THR 72 -8.625 2.287 1.988 582 1HG2 THR 72 1HG2 THR 72 -7.449 4.414 1.452 583 2HG2 THR 72 2HG2 THR 72 -8.952 5.250 1.886 584 3HG2 THR 72 3HG2 THR 72 -7.460 5.618 2.762 585 H MET 73 H MET 73 -5.378 4.921 3.559 586 HA MET 73 HA MET 73 -4.704 5.332 6.367 587 1HB MET 73 1HB MET 73 -3.889 6.850 3.862 588 2HB MET 73 2HB MET 73 -3.191 7.052 5.477 589 1HG MET 73 1HG MET 73 -2.391 4.759 5.491 590 2HG MET 73 2HG MET 73 -3.125 4.441 3.914 591 1HE MET 73 1HE MET 73 0.002 3.946 4.819 592 2HE MET 73 2HE MET 73 -0.771 3.394 3.313 593 3HE MET 73 3HE MET 73 0.742 4.326 3.247 594 H ASP 74 H ASP 74 -7.370 5.649 6.249 595 HA ASP 74 HA ASP 74 -7.609 8.288 7.359 596 1HB ASP 74 1HB ASP 74 -8.217 8.601 4.888 597 2HB ASP 74 2HB ASP 74 -9.578 7.512 5.157 598 HD2 ASP 74 HD2 ASP 74 -11.018 10.771 5.501 599 H GLY 75 H GLY 75 -7.473 5.636 8.308 600 1HA GLY 75 1HA GLY 75 -8.409 4.114 9.670 601 2HA GLY 75 2HA GLY 75 -9.233 5.516 10.346 602 H LYS 76 H LYS 76 -9.671 3.757 7.221 603 HA LYS 76 HA LYS 76 -11.913 2.262 8.152 604 1HB LYS 76 1HB LYS 76 -13.676 3.187 6.747 605 2HB LYS 76 2HB LYS 76 -13.106 4.394 7.889 606 1HG LYS 76 1HG LYS 76 -11.722 5.438 6.124 607 2HG LYS 76 2HG LYS 76 -12.315 4.247 4.950 608 1HD LYS 76 1HD LYS 76 -14.652 4.984 5.377 609 2HD LYS 76 2HD LYS 76 -14.064 6.197 6.526 610 1HE LYS 76 1HE LYS 76 -13.407 6.081 3.543 611 2HE LYS 76 2HE LYS 76 -14.571 7.177 4.312 612 1HZ LYS 76 1HZ LYS 76 -12.768 8.118 5.568 613 2HZ LYS 76 2HZ LYS 76 -11.683 7.123 4.827 614 3HZ LYS 76 3HZ LYS 76 -12.497 8.252 3.947 615 H LYS 77 H LYS 77 -13.047 1.377 5.898 616 HA LYS 77 HA LYS 77 -10.827 0.556 4.101 617 1HB LYS 77 1HB LYS 77 -11.803 -1.713 4.055 618 2HB LYS 77 2HB LYS 77 -11.144 -1.299 5.631 619 1HG LYS 77 1HG LYS 77 -14.090 -0.804 5.162 620 2HG LYS 77 2HG LYS 77 -13.532 -2.472 5.320 621 1HD LYS 77 1HD LYS 77 -12.505 -2.011 7.484 622 2HD LYS 77 2HD LYS 77 -12.991 -0.308 7.395 623 1HE LYS 77 1HE LYS 77 -15.375 -0.989 7.310 624 2HE LYS 77 2HE LYS 77 -14.890 -2.692 7.410 625 1HZ LYS 77 1HZ LYS 77 -13.897 -2.207 9.536 626 2HZ LYS 77 2HZ LYS 77 -14.387 -0.636 9.446 627 3HZ LYS 77 3HZ LYS 77 -15.504 -1.845 9.534 628 H LEU 78 H LEU 78 -11.711 -0.579 2.154 629 HA LEU 78 HA LEU 78 -14.200 0.622 1.122 630 1HB LEU 78 1HB LEU 78 -12.891 1.542 -0.857 631 2HB LEU 78 2HB LEU 78 -12.716 2.360 0.689 632 HG LEU 78 HG LEU 78 -10.519 1.145 1.055 633 1HD1 LEU 78 1HD1 LEU 78 -10.887 0.429 -1.873 634 2HD1 LEU 78 2HD1 LEU 78 -9.385 0.249 -0.950 635 3HD1 LEU 78 3HD1 LEU 78 -10.789 -0.737 -0.532 636 1HD2 LEU 78 1HD2 LEU 78 -10.651 3.467 0.298 637 2HD2 LEU 78 2HD2 LEU 78 -9.293 2.636 -0.474 638 3HD2 LEU 78 3HD2 LEU 78 -10.787 2.930 -1.392 639 H LYS 79 H LYS 79 -12.907 -2.122 1.652 640 HA LYS 79 HA LYS 79 -13.211 -4.167 0.963 641 1HB LYS 79 1HB LYS 79 -15.501 -3.205 0.765 642 2HB LYS 79 2HB LYS 79 -15.270 -3.051 -0.983 643 1HG LYS 79 1HG LYS 79 -14.994 -5.478 -1.182 644 2HG LYS 79 2HG LYS 79 -15.037 -5.652 0.583 645 1HD LYS 79 1HD LYS 79 -17.349 -4.780 0.635 646 2HD LYS 79 2HD LYS 79 -17.329 -4.607 -1.139 647 1HE LYS 79 1HE LYS 79 -16.906 -7.085 -1.318 648 2HE LYS 79 2HE LYS 79 -16.996 -7.191 0.451 649 1HZ LYS 79 1HZ LYS 79 -19.022 -7.821 -0.443 650 2HZ LYS 79 2HZ LYS 79 -19.267 -6.346 0.258 651 3HZ LYS 79 3HZ LYS 79 -19.160 -6.468 -1.383 652 H CYS 80 H CYS 80 -12.521 -5.820 -0.465 653 HA CYS 80 HA CYS 80 -11.408 -5.055 -3.091 654 1HB CYS 80 1HB CYS 80 -9.761 -4.301 -1.302 655 2HB CYS 80 2HB CYS 80 -9.605 -5.999 -0.814 656 HG CYS 80 HG CYS 80 -9.029 -4.500 -3.681 657 H THR 81 H THR 81 -10.876 -6.873 -4.396 658 HA THR 81 HA THR 81 -11.153 -9.599 -3.330 659 HB THR 81 HB THR 81 -13.157 -8.574 -5.397 660 HG1 THR 81 HG1 THR 81 -13.288 -8.696 -2.632 661 1HG2 THR 81 1HG2 THR 81 -13.041 -11.145 -3.762 662 2HG2 THR 81 2HG2 THR 81 -14.326 -10.690 -4.891 663 3HG2 THR 81 3HG2 THR 81 -12.700 -11.040 -5.496 664 H VAL 82 H VAL 82 -8.820 -9.316 -4.228 665 HA VAL 82 HA VAL 82 -8.797 -10.311 -7.009 666 HB VAL 82 HB VAL 82 -6.763 -8.234 -6.415 667 1HG1 VAL 82 1HG1 VAL 82 -8.456 -8.983 -8.873 668 2HG1 VAL 82 2HG1 VAL 82 -7.186 -7.759 -8.887 669 3HG1 VAL 82 3HG1 VAL 82 -6.771 -9.449 -8.656 670 1HG2 VAL 82 1HG2 VAL 82 -8.152 -6.404 -7.275 671 2HG2 VAL 82 2HG2 VAL 82 -9.584 -7.426 -7.222 672 3HG2 VAL 82 3HG2 VAL 82 -8.745 -6.979 -5.714 673 H HIS 83 H HIS 83 -5.945 -10.175 -7.253 674 HA HIS 83 HA HIS 83 -4.984 -12.255 -5.433 675 1HB HIS 83 1HB HIS 83 -5.004 -13.911 -7.335 676 2HB HIS 83 2HB HIS 83 -6.598 -13.444 -6.781 677 HD1 HIS 83 HD1 HIS 83 -8.229 -12.538 -8.492 678 HD2 HIS 83 HD2 HIS 83 -4.229 -12.640 -9.854 679 HE1 HIS 83 HE1 HIS 83 -8.254 -11.959 -10.982 680 HE2 HIS 83 HE2 HIS 83 -5.832 -12.011 -11.817 681 H LEU 84 H LEU 84 -3.112 -13.415 -6.838 682 HA LEU 84 HA LEU 84 -1.164 -11.346 -7.619 683 1HB LEU 84 1HB LEU 84 -0.664 -12.676 -5.601 684 2HB LEU 84 2HB LEU 84 -0.787 -14.168 -6.524 685 HG LEU 84 HG LEU 84 1.149 -12.098 -7.551 686 1HD1 LEU 84 1HD1 LEU 84 1.549 -11.952 -5.142 687 2HD1 LEU 84 2HD1 LEU 84 1.669 -13.722 -5.031 688 3HD1 LEU 84 3HD1 LEU 84 2.882 -12.799 -5.940 689 1HD2 LEU 84 1HD2 LEU 84 1.349 -15.120 -7.119 690 2HD2 LEU 84 2HD2 LEU 84 0.949 -14.339 -8.660 691 3HD2 LEU 84 3HD2 LEU 84 2.548 -14.109 -7.943 692 H ALA 85 H ALA 85 -0.175 -11.479 -9.547 693 HA ALA 85 HA ALA 85 -0.368 -13.888 -11.238 694 1HB ALA 85 1HB ALA 85 -1.406 -11.153 -12.094 695 2HB ALA 85 2HB ALA 85 -1.107 -12.523 -13.187 696 3HB ALA 85 3HB ALA 85 -2.348 -12.651 -11.925 697 H ASN 86 H ASN 86 1.724 -14.269 -11.608 698 HA ASN 86 HA ASN 86 3.904 -14.039 -12.137 699 1HB ASN 86 1HB ASN 86 2.840 -11.758 -13.845 700 2HB ASN 86 2HB ASN 86 4.403 -12.562 -14.037 701 1HD2 ASN 86 1HD2 ASN 86 2.810 -12.498 -16.219 702 2HD2 ASN 86 2HD2 ASN 86 2.108 -14.073 -16.523 703 H GLY 87 H GLY 87 3.992 -13.352 -9.776 704 1HA GLY 87 1HA GLY 87 5.081 -12.207 -8.154 705 2HA GLY 87 2HA GLY 87 6.149 -11.632 -9.441 706 H LYS 88 H LYS 88 2.662 -10.922 -9.064 707 HA LYS 88 HA LYS 88 3.137 -8.159 -8.182 708 1HB LYS 88 1HB LYS 88 3.552 -8.132 -10.586 709 2HB LYS 88 2HB LYS 88 1.923 -8.785 -10.885 710 1HG LYS 88 1HG LYS 88 1.019 -6.742 -9.634 711 2HG LYS 88 2HG LYS 88 2.668 -6.106 -9.643 712 1HD LYS 88 1HD LYS 88 0.916 -6.770 -12.064 713 2HD LYS 88 2HD LYS 88 1.346 -5.170 -11.454 714 1HE LYS 88 1HE LYS 88 2.790 -5.400 -13.251 715 2HE LYS 88 2HE LYS 88 3.820 -5.860 -11.887 716 1HZ LYS 88 1HZ LYS 88 3.424 -8.161 -12.489 717 2HZ LYS 88 2HZ LYS 88 2.399 -7.712 -13.692 718 3HZ LYS 88 3HZ LYS 88 3.999 -7.331 -13.782 719 H LEU 89 H LEU 89 1.584 -7.859 -6.678 720 HA LEU 89 HA LEU 89 -0.959 -9.384 -6.843 721 1HB LEU 89 1HB LEU 89 0.788 -9.481 -4.900 722 2HB LEU 89 2HB LEU 89 -0.014 -8.000 -4.345 723 HG LEU 89 HG LEU 89 -1.468 -10.607 -5.014 724 1HD1 LEU 89 1HD1 LEU 89 -0.403 -9.729 -2.301 725 2HD1 LEU 89 2HD1 LEU 89 -1.384 -11.179 -2.654 726 3HD1 LEU 89 3HD1 LEU 89 0.254 -11.046 -3.292 727 1HD2 LEU 89 1HD2 LEU 89 -3.211 -9.706 -3.522 728 2HD2 LEU 89 2HD2 LEU 89 -2.241 -8.236 -3.267 729 3HD2 LEU 89 3HD2 LEU 89 -2.915 -8.607 -4.872 730 H VAL 90 H VAL 90 -2.747 -8.330 -7.346 731 HA VAL 90 HA VAL 90 -2.555 -5.348 -7.622 732 HB VAL 90 HB VAL 90 -2.117 -6.361 -9.676 733 1HG1 VAL 90 1HG1 VAL 90 -2.922 -8.626 -9.450 734 2HG1 VAL 90 2HG1 VAL 90 -4.608 -8.076 -9.364 735 3HG1 VAL 90 3HG1 VAL 90 -3.678 -7.885 -10.861 736 1HG2 VAL 90 1HG2 VAL 90 -3.657 -5.334 -11.087 737 2HG2 VAL 90 2HG2 VAL 90 -5.026 -5.606 -10.005 738 3HG2 VAL 90 3HG2 VAL 90 -3.785 -4.412 -9.579 739 H THR 91 H THR 91 -3.521 -5.337 -5.458 740 HA THR 91 HA THR 91 -6.278 -6.251 -5.117 741 HB THR 91 HB THR 91 -5.878 -4.670 -3.007 742 HG1 THR 91 HG1 THR 91 -3.789 -4.031 -4.063 743 1HG2 THR 91 1HG2 THR 91 -6.138 -7.121 -2.856 744 2HG2 THR 91 2HG2 THR 91 -4.466 -7.336 -3.406 745 3HG2 THR 91 3HG2 THR 91 -4.794 -6.577 -1.838 746 H LYS 92 H LYS 92 -8.058 -5.070 -5.659 747 HA LYS 92 HA LYS 92 -7.791 -2.219 -6.385 748 1HB LYS 92 1HB LYS 92 -7.350 -4.051 -8.299 749 2HB LYS 92 2HB LYS 92 -9.119 -4.126 -8.307 750 1HG LYS 92 1HG LYS 92 -9.087 -1.569 -8.636 751 2HG LYS 92 2HG LYS 92 -7.319 -1.712 -8.766 752 1HD LYS 92 1HD LYS 92 -7.698 -3.416 -10.618 753 2HD LYS 92 2HD LYS 92 -9.421 -2.987 -10.562 754 1HE LYS 92 1HE LYS 92 -8.813 -0.609 -11.058 755 2HE LYS 92 2HE LYS 92 -7.101 -1.079 -11.129 756 1HZ LYS 92 1HZ LYS 92 -8.019 -1.015 -13.300 757 2HZ LYS 92 2HZ LYS 92 -7.682 -2.584 -12.916 758 3HZ LYS 92 3HZ LYS 92 -9.240 -2.045 -12.891 759 H SER 93 H SER 93 -9.754 -1.106 -6.538 760 HA SER 93 HA SER 93 -12.196 -2.425 -5.460 761 1HB SER 93 1HB SER 93 -10.965 0.143 -4.405 762 2HB SER 93 2HB SER 93 -12.311 -0.770 -3.691 763 HG SER 93 HG SER 93 -10.888 -2.413 -3.186 764 H GLU 94 H GLU 94 -13.655 -0.126 -5.127 765 HA GLU 94 HA GLU 94 -14.893 0.270 -7.503 766 1HB GLU 94 1HB GLU 94 -15.789 0.814 -5.298 767 2HB GLU 94 2HB GLU 94 -14.665 2.167 -5.125 768 1HG GLU 94 1HG GLU 94 -16.950 2.892 -5.712 769 2HG GLU 94 2HG GLU 94 -15.765 3.382 -6.922 770 HE2 GLU 94 HE2 GLU 94 -17.730 2.000 -9.398 771 H LYS 95 H LYS 95 -12.618 2.694 -6.093 772 HA LYS 95 HA LYS 95 -11.693 3.349 -8.857 773 1HB LYS 95 1HB LYS 95 -12.234 5.325 -6.599 774 2HB LYS 95 2HB LYS 95 -11.344 5.676 -8.089 775 1HG LYS 95 1HG LYS 95 -13.349 4.958 -9.422 776 2HG LYS 95 2HG LYS 95 -14.255 4.811 -7.903 777 1HD LYS 95 1HD LYS 95 -13.862 7.210 -7.426 778 2HD LYS 95 2HD LYS 95 -12.928 7.354 -8.933 779 1HE LYS 95 1HE LYS 95 -14.962 6.638 -10.221 780 2HE LYS 95 2HE LYS 95 -15.884 6.620 -8.705 781 1HZ LYS 95 1HZ LYS 95 -16.170 8.655 -9.904 782 2HZ LYS 95 2HZ LYS 95 -15.410 8.953 -8.473 783 3HZ LYS 95 3HZ LYS 95 -14.553 8.960 -9.882 784 H PHE 96 H PHE 96 -10.925 2.645 -5.493 785 HA PHE 96 HA PHE 96 -8.234 3.616 -5.660 786 1HB PHE 96 1HB PHE 96 -9.365 3.494 -3.533 787 2HB PHE 96 2HB PHE 96 -9.612 1.763 -3.698 788 HD1 PHE 96 HD1 PHE 96 -7.117 4.396 -2.954 789 HD2 PHE 96 HD2 PHE 96 -7.768 0.151 -3.300 790 HE1 PHE 96 HE1 PHE 96 -5.114 3.982 -1.579 791 HE2 PHE 96 HE2 PHE 96 -5.814 -0.258 -1.853 792 HZ PHE 96 HZ PHE 96 -4.415 1.661 -1.069 793 H SER 97 H SER 97 -6.322 2.421 -5.892 794 HA SER 97 HA SER 97 -6.487 -0.450 -6.626 795 1HB SER 97 1HB SER 97 -4.878 1.625 -8.176 796 2HB SER 97 2HB SER 97 -4.896 -0.125 -8.456 797 HG SER 97 HG SER 97 -6.290 1.064 -9.864 798 H HIS 98 H HIS 98 -4.552 -1.594 -6.054 799 HA HIS 98 HA HIS 98 -2.312 -0.140 -4.819 800 1HB HIS 98 1HB HIS 98 -3.747 -0.445 -2.958 801 2HB HIS 98 2HB HIS 98 -4.113 -2.115 -3.373 802 HD1 HIS 98 HD1 HIS 98 -1.785 -3.738 -3.298 803 HD2 HIS 98 HD2 HIS 98 -1.963 -0.200 -1.002 804 HE1 HIS 98 HE1 HIS 98 -0.036 -3.946 -1.430 805 HE2 HIS 98 HE2 HIS 98 -0.108 -1.783 -0.060 806 H GLU 99 H GLU 99 -1.098 -0.748 -6.513 807 HA GLU 99 HA GLU 99 -0.999 -3.568 -7.441 808 1HB GLU 99 1HB GLU 99 0.025 -1.010 -8.743 809 2HB GLU 99 2HB GLU 99 -0.052 -2.625 -9.459 810 1HG GLU 99 1HG GLU 99 -2.559 -2.534 -9.200 811 2HG GLU 99 2HG GLU 99 -2.409 -0.855 -8.652 812 HE2 GLU 99 HE2 GLU 99 -1.179 0.216 -11.881 813 H GLN 100 H GLN 100 0.534 -4.625 -6.272 814 HA GLN 100 HA GLN 100 3.057 -3.218 -5.548 815 1HB GLN 100 1HB GLN 100 1.035 -4.358 -3.911 816 2HB GLN 100 2HB GLN 100 2.301 -5.577 -3.968 817 1HG GLN 100 1HG GLN 100 2.967 -4.317 -2.182 818 2HG GLN 100 2HG GLN 100 3.932 -3.588 -3.473 819 1HE2 GLN 100 1HE2 GLN 100 1.795 -1.943 -4.670 820 2HE2 GLN 100 2HE2 GLN 100 1.350 -0.737 -3.487 821 H GLU 101 H GLU 101 4.870 -4.007 -6.338 822 HA GLU 101 HA GLU 101 4.923 -6.706 -7.608 823 1HB GLU 101 1HB GLU 101 4.837 -4.803 -9.216 824 2HB GLU 101 2HB GLU 101 6.252 -4.100 -8.423 825 1HG GLU 101 1HG GLU 101 7.558 -6.181 -9.040 826 2HG GLU 101 2HG GLU 101 6.141 -6.735 -9.946 827 HE2 GLU 101 HE2 GLU 101 6.588 -4.354 -12.512 828 H VAL 102 H VAL 102 6.553 -7.993 -6.872 829 HA VAL 102 HA VAL 102 8.644 -6.812 -5.086 830 HB VAL 102 HB VAL 102 7.006 -9.359 -4.813 831 1HG1 VAL 102 1HG1 VAL 102 9.242 -9.990 -4.159 832 2HG1 VAL 102 2HG1 VAL 102 9.459 -8.468 -3.265 833 3HG1 VAL 102 3HG1 VAL 102 8.319 -9.699 -2.682 834 1HG2 VAL 102 1HG2 VAL 102 7.370 -6.927 -3.006 835 2HG2 VAL 102 2HG2 VAL 102 5.921 -7.279 -3.969 836 3HG2 VAL 102 3HG2 VAL 102 6.374 -8.345 -2.631 837 H LYS 103 H LYS 103 10.678 -7.764 -5.135 838 HA LYS 103 HA LYS 103 11.284 -9.821 -7.097 839 1HB LYS 103 1HB LYS 103 11.402 -7.314 -8.063 840 2HB LYS 103 2HB LYS 103 12.927 -7.283 -7.197 841 1HG LYS 103 1HG LYS 103 13.399 -7.887 -9.448 842 2HG LYS 103 2HG LYS 103 13.556 -9.406 -8.555 843 1HD LYS 103 1HD LYS 103 11.278 -10.073 -9.257 844 2HD LYS 103 2HD LYS 103 11.074 -8.546 -10.122 845 1HE LYS 103 1HE LYS 103 13.298 -10.555 -10.729 846 2HE LYS 103 2HE LYS 103 11.702 -10.605 -11.495 847 1HZ LYS 103 1HZ LYS 103 13.212 -9.451 -12.860 848 2HZ LYS 103 2HZ LYS 103 12.083 -8.390 -12.310 849 3HZ LYS 103 3HZ LYS 103 13.603 -8.380 -11.672 850 H GLY 104 H GLY 104 14.197 -9.075 -6.761 851 1HA GLY 104 1HA GLY 104 14.635 -10.830 -4.523 852 2HA GLY 104 2HA GLY 104 15.860 -10.021 -5.508 853 H ASN 105 H ASN 105 15.880 -7.550 -5.158 854 HA ASN 105 HA ASN 105 15.790 -6.891 -2.233 855 1HB ASN 105 1HB ASN 105 17.990 -6.276 -4.237 856 2HB ASN 105 2HB ASN 105 17.951 -5.736 -2.550 857 1HD2 ASN 105 1HD2 ASN 105 20.078 -7.243 -3.726 858 2HD2 ASN 105 2HD2 ASN 105 20.145 -8.791 -2.911 859 H GLU 106 H GLU 106 13.822 -6.311 -4.348 860 HA GLU 106 HA GLU 106 13.734 -3.392 -4.169 861 1HB GLU 106 1HB GLU 106 15.171 -3.933 -6.187 862 2HB GLU 106 2HB GLU 106 13.830 -4.886 -6.824 863 1HG GLU 106 1HG GLU 106 13.832 -2.799 -7.943 864 2HG GLU 106 2HG GLU 106 12.416 -2.810 -6.895 865 HE2 GLU 106 HE2 GLU 106 13.917 0.461 -6.690 866 H MET 107 H MET 107 11.651 -2.640 -4.331 867 HA MET 107 HA MET 107 9.466 -4.422 -5.178 868 1HB MET 107 1HB MET 107 9.585 -5.009 -2.909 869 2HB MET 107 2HB MET 107 9.928 -3.353 -2.383 870 1HG MET 107 1HG MET 107 7.652 -2.682 -2.781 871 2HG MET 107 2HG MET 107 7.263 -4.233 -3.542 872 1HE MET 107 1HE MET 107 5.320 -3.246 -1.510 873 2HE MET 107 2HE MET 107 5.587 -3.621 0.205 874 3HE MET 107 3HE MET 107 6.486 -2.294 -0.555 875 H VAL 108 H VAL 108 8.117 -3.273 -6.407 876 HA VAL 108 HA VAL 108 8.232 -0.286 -6.348 877 HB VAL 108 HB VAL 108 7.450 -2.198 -8.583 878 1HG1 VAL 108 1HG1 VAL 108 7.716 0.838 -8.619 879 2HG1 VAL 108 2HG1 VAL 108 7.326 -0.209 -10.000 880 3HG1 VAL 108 3HG1 VAL 108 6.176 -0.047 -8.672 881 1HG2 VAL 108 1HG2 VAL 108 9.887 -0.397 -8.248 882 2HG2 VAL 108 2HG2 VAL 108 9.894 -2.173 -8.208 883 3HG2 VAL 108 3HG2 VAL 108 9.480 -1.327 -9.704 884 H GLU 109 H GLU 109 6.356 0.840 -5.968 885 HA GLU 109 HA GLU 109 3.853 -0.710 -5.477 886 1HB GLU 109 1HB GLU 109 4.910 1.549 -3.767 887 2HB GLU 109 2HB GLU 109 3.543 0.496 -3.429 888 1HG GLU 109 1HG GLU 109 5.077 -1.400 -3.069 889 2HG GLU 109 2HG GLU 109 6.468 -0.418 -3.550 890 HE2 GLU 109 HE2 GLU 109 4.775 0.367 0.037 891 H THR 110 H THR 110 2.179 0.140 -6.582 892 HA THR 110 HA THR 110 2.113 3.066 -7.157 893 HB THR 110 HB THR 110 1.489 0.795 -9.094 894 HG1 THR 110 HG1 THR 110 3.484 2.798 -8.988 895 1HG2 THR 110 1HG2 THR 110 -0.123 2.596 -9.446 896 2HG2 THR 110 2HG2 THR 110 1.162 3.818 -9.352 897 3HG2 THR 110 3HG2 THR 110 1.111 2.677 -10.713 898 H ILE 111 H ILE 111 0.311 3.920 -6.319 899 HA ILE 111 HA ILE 111 -2.032 2.149 -5.787 900 HB ILE 111 HB ILE 111 -1.456 4.647 -4.247 901 1HG1 ILE 111 1HG1 ILE 111 0.592 3.508 -3.841 902 2HG1 ILE 111 2HG1 ILE 111 -0.434 3.476 -2.405 903 1HG2 ILE 111 1HG2 ILE 111 -3.670 3.678 -3.963 904 2HG2 ILE 111 2HG2 ILE 111 -2.932 2.185 -3.339 905 3HG2 ILE 111 3HG2 ILE 111 -2.745 3.715 -2.471 906 1HD1 ILE 111 1HD1 ILE 111 0.725 1.355 -2.667 907 2HD1 ILE 111 2HD1 ILE 111 -1.019 1.121 -2.835 908 3HD1 ILE 111 3HD1 ILE 111 0.020 1.104 -4.269 909 H THR 112 H THR 112 -4.080 3.281 -5.981 910 HA THR 112 HA THR 112 -4.039 5.971 -7.214 911 HB THR 112 HB THR 112 -5.866 3.765 -8.249 912 HG1 THR 112 HG1 THR 112 -4.456 3.829 -10.085 913 1HG2 THR 112 1HG2 THR 112 -6.187 5.342 -10.135 914 2HG2 THR 112 2HG2 THR 112 -6.683 6.079 -8.605 915 3HG2 THR 112 3HG2 THR 112 -5.122 6.514 -9.340 916 H PHE 113 H PHE 113 -5.868 7.201 -6.614 917 HA PHE 113 HA PHE 113 -7.958 5.997 -4.916 918 1HB PHE 113 1HB PHE 113 -6.223 6.544 -3.286 919 2HB PHE 113 2HB PHE 113 -6.053 8.160 -3.949 920 HD1 PHE 113 HD1 PHE 113 -8.209 5.940 -1.883 921 HD2 PHE 113 HD2 PHE 113 -7.699 9.925 -3.469 922 HE1 PHE 113 HE1 PHE 113 -9.964 6.765 -0.370 923 HE2 PHE 113 HE2 PHE 113 -9.491 10.735 -1.966 924 HZ PHE 113 HZ PHE 113 -10.625 9.162 -0.412 925 H GLY 114 H GLY 114 -9.722 6.659 -5.982 926 1HA GLY 114 1HA GLY 114 -11.339 8.021 -6.803 927 2HA GLY 114 2HA GLY 114 -10.476 9.406 -6.125 928 H GLY 115 H GLY 115 -8.954 10.510 -7.411 929 1HA GLY 115 1HA GLY 115 -8.407 9.656 -10.177 930 2HA GLY 115 2HA GLY 115 -9.194 11.234 -9.960 931 H VAL 116 H VAL 116 -6.882 9.706 -7.727 932 HA VAL 116 HA VAL 116 -4.687 11.539 -8.542 933 HB VAL 116 HB VAL 116 -5.511 10.798 -5.693 934 1HG1 VAL 116 1HG1 VAL 116 -3.186 12.473 -6.742 935 2HG1 VAL 116 2HG1 VAL 116 -3.685 12.391 -5.042 936 3HG1 VAL 116 3HG1 VAL 116 -3.068 10.944 -5.841 937 1HG2 VAL 116 1HG2 VAL 116 -5.885 13.240 -5.420 938 2HG2 VAL 116 2HG2 VAL 116 -5.550 13.482 -7.146 939 3HG2 VAL 116 3HG2 VAL 116 -6.976 12.555 -6.629 940 H THR 117 H THR 117 -2.658 10.566 -8.447 941 HA THR 117 HA THR 117 -2.626 7.582 -8.206 942 HB THR 117 HB THR 117 -1.237 9.448 -10.184 943 HG1 THR 117 HG1 THR 117 -3.468 9.001 -10.560 944 1HG2 THR 117 1HG2 THR 117 -0.458 7.346 -11.249 945 2HG2 THR 117 2HG2 THR 117 0.227 7.554 -9.631 946 3HG2 THR 117 3HG2 THR 117 -1.121 6.419 -9.881 947 H LEU 118 H LEU 118 -0.972 6.767 -6.969 948 HA LEU 118 HA LEU 118 1.037 8.661 -5.825 949 1HB LEU 118 1HB LEU 118 -0.022 6.144 -4.553 950 2HB LEU 118 2HB LEU 118 0.996 7.365 -3.827 951 HG LEU 118 HG LEU 118 -0.890 8.928 -3.680 952 1HD1 LEU 118 1HD1 LEU 118 -2.450 8.448 -5.418 953 2HD1 LEU 118 2HD1 LEU 118 -2.507 6.716 -5.008 954 3HD1 LEU 118 3HD1 LEU 118 -3.252 7.935 -3.961 955 1HD2 LEU 118 1HD2 LEU 118 -0.501 7.559 -1.776 956 2HD2 LEU 118 2HD2 LEU 118 -2.243 7.419 -2.058 957 3HD2 LEU 118 3HD2 LEU 118 -1.176 6.116 -2.544 958 H ILE 119 H ILE 119 3.190 7.885 -5.898 959 HA ILE 119 HA ILE 119 3.560 5.016 -6.528 960 HB ILE 119 HB ILE 119 5.278 5.375 -8.068 961 1HG1 ILE 119 1HG1 ILE 119 5.606 7.782 -9.034 962 2HG1 ILE 119 2HG1 ILE 119 5.064 8.337 -7.451 963 1HG2 ILE 119 1HG2 ILE 119 2.981 7.168 -8.923 964 2HG2 ILE 119 2HG2 ILE 119 4.094 6.268 -9.968 965 3HG2 ILE 119 3HG2 ILE 119 2.965 5.388 -8.932 966 1HD1 ILE 119 1HD1 ILE 119 7.325 6.320 -7.865 967 2HD1 ILE 119 2HD1 ILE 119 7.604 8.065 -7.873 968 3HD1 ILE 119 3HD1 ILE 119 7.020 7.276 -6.405 969 H ARG 120 H ARG 120 5.307 4.061 -5.554 970 HA ARG 120 HA ARG 120 7.333 5.549 -4.256 971 1HB ARG 120 1HB ARG 120 6.926 4.969 -1.934 972 2HB ARG 120 2HB ARG 120 5.548 5.887 -2.535 973 1HG ARG 120 1HG ARG 120 4.394 3.627 -2.891 974 2HG ARG 120 2HG ARG 120 5.741 2.928 -1.969 975 1HD ARG 120 1HD ARG 120 3.661 4.941 -1.053 976 2HD ARG 120 2HD ARG 120 3.912 3.285 -0.462 977 HE ARG 120 HE ARG 120 6.271 4.861 -0.031 978 1HH1 ARG 120 1HH1 ARG 120 3.013 4.332 1.272 979 2HH1 ARG 120 2HH1 ARG 120 3.346 5.153 2.776 980 1HH2 ARG 120 1HH2 ARG 120 6.677 5.963 1.953 981 2HH2 ARG 120 2HH2 ARG 120 5.441 6.034 3.181 982 H ARG 121 H ARG 121 8.928 4.058 -3.210 983 HA ARG 121 HA ARG 121 8.716 1.254 -4.169 984 1HB ARG 121 1HB ARG 121 11.048 3.105 -4.810 985 2HB ARG 121 2HB ARG 121 10.969 1.352 -5.080 986 1HG ARG 121 1HG ARG 121 10.470 1.961 -7.164 987 2HG ARG 121 2HG ARG 121 8.823 2.010 -6.531 988 1HD ARG 121 1HD ARG 121 9.140 4.508 -6.174 989 2HD ARG 121 2HD ARG 121 10.775 4.331 -6.844 990 HE ARG 121 HE ARG 121 8.613 3.311 -8.539 991 1HH1 ARG 121 1HH1 ARG 121 10.576 6.179 -7.777 992 2HH1 ARG 121 2HH1 ARG 121 10.348 6.896 -9.351 993 1HH2 ARG 121 1HH2 ARG 121 8.320 4.272 -10.579 994 2HH2 ARG 121 2HH2 ARG 121 9.046 5.815 -10.946 995 H SER 122 H SER 122 9.824 -0.181 -2.976 996 HA SER 122 HA SER 122 11.360 0.773 -0.621 997 1HB SER 122 1HB SER 122 9.514 -1.658 -0.850 998 2HB SER 122 2HB SER 122 10.526 -1.271 0.550 999 HG SER 122 HG SER 122 8.406 0.292 -0.485 1000 H LYS 123 H LYS 123 12.856 -0.784 0.193 1001 HA LYS 123 HA LYS 123 13.932 -2.762 -1.770 1002 1HB LYS 123 1HB LYS 123 15.438 -0.733 -0.071 1003 2HB LYS 123 2HB LYS 123 16.188 -2.245 -0.619 1004 1HG LYS 123 1HG LYS 123 15.899 -1.730 -2.908 1005 2HG LYS 123 2HG LYS 123 14.861 -0.334 -2.565 1006 1HD LYS 123 1HD LYS 123 16.674 0.950 -1.695 1007 2HD LYS 123 2HD LYS 123 17.717 -0.474 -1.528 1008 1HE LYS 123 1HE LYS 123 18.375 0.924 -3.463 1009 2HE LYS 123 2HE LYS 123 17.912 -0.720 -3.940 1010 1HZ LYS 123 1HZ LYS 123 16.145 1.619 -4.094 1011 2HZ LYS 123 2HZ LYS 123 16.987 0.982 -5.361 1012 3HZ LYS 123 3HZ LYS 123 15.812 0.090 -4.626 1013 H ARG 124 H ARG 124 14.761 -4.646 -0.817 1014 HA ARG 124 HA ARG 124 13.294 -5.499 1.465 1015 1HB ARG 124 1HB ARG 124 14.052 -6.869 -0.589 1016 2HB ARG 124 2HB ARG 124 15.648 -6.897 0.170 1017 1HG ARG 124 1HG ARG 124 14.583 -7.935 2.198 1018 2HG ARG 124 2HG ARG 124 13.019 -7.902 1.378 1019 1HD ARG 124 1HD ARG 124 14.098 -10.150 1.252 1020 2HD ARG 124 2HD ARG 124 13.795 -9.433 -0.329 1021 HE ARG 124 HE ARG 124 16.030 -9.406 -0.772 1022 1HH1 ARG 124 1HH1 ARG 124 15.650 -9.687 2.753 1023 2HH1 ARG 124 2HH1 ARG 124 17.359 -9.659 3.072 1024 1HH2 ARG 124 1HH2 ARG 124 18.261 -9.431 -0.352 1025 2HH2 ARG 124 2HH2 ARG 124 18.867 -9.607 1.278 1026 H VAL 125 H VAL 125 14.063 -6.057 3.519 1027 HA VAL 125 HA VAL 125 16.849 -5.275 4.266 1028 HB VAL 125 HB VAL 125 14.296 -4.877 5.888 1029 1HG1 VAL 125 1HG1 VAL 125 17.220 -4.252 6.507 1030 2HG1 VAL 125 2HG1 VAL 125 15.832 -3.751 7.494 1031 3HG1 VAL 125 3HG1 VAL 125 16.214 -5.469 7.324 1032 1HG2 VAL 125 1HG2 VAL 125 16.181 -2.875 4.564 1033 2HG2 VAL 125 2HG2 VAL 125 14.483 -3.170 4.131 1034 3HG2 VAL 125 3HG2 VAL 125 14.877 -2.460 5.697 Start of MODEL 10 1 1H ALA 1 1H ALA 1 6.223 -16.979 -0.034 2 2H ALA 1 2H ALA 1 7.147 -15.814 0.687 3 3H ALA 1 3H ALA 1 5.553 -15.546 0.425 4 HA ALA 1 HA ALA 1 7.584 -15.895 -1.640 5 1HB ALA 1 1HB ALA 1 5.811 -15.294 -3.250 6 2HB ALA 1 2HB ALA 1 5.460 -16.800 -2.381 7 3HB ALA 1 3HB ALA 1 4.609 -15.310 -1.936 8 H PHE 2 H PHE 2 5.016 -13.477 -1.035 9 HA PHE 2 HA PHE 2 6.914 -11.245 -1.270 10 1HB PHE 2 1HB PHE 2 3.953 -11.365 -0.599 11 2HB PHE 2 2HB PHE 2 4.934 -9.915 -0.482 12 HD1 PHE 2 HD1 PHE 2 4.676 -12.572 -3.204 13 HD2 PHE 2 HD2 PHE 2 4.335 -8.401 -2.115 14 HE1 PHE 2 HE1 PHE 2 4.450 -11.960 -5.579 15 HE2 PHE 2 HE2 PHE 2 4.101 -7.812 -4.500 16 HZ PHE 2 HZ PHE 2 4.227 -9.580 -6.244 17 H SER 3 H SER 3 5.759 -13.411 1.197 18 HA SER 3 HA SER 3 5.958 -12.146 3.584 19 1HB SER 3 1HB SER 3 6.787 -14.308 4.474 20 2HB SER 3 2HB SER 3 5.421 -14.503 3.371 21 HG SER 3 HG SER 3 8.167 -14.877 2.777 22 H GLY 4 H GLY 4 7.423 -10.736 4.346 23 1HA GLY 4 1HA GLY 4 10.100 -11.095 4.873 24 2HA GLY 4 2HA GLY 4 10.059 -10.458 3.210 25 H THR 5 H THR 5 11.259 -8.716 4.594 26 HA THR 5 HA THR 5 9.294 -6.712 5.618 27 HB THR 5 HB THR 5 12.155 -7.132 6.558 28 HG1 THR 5 HG1 THR 5 10.798 -8.866 7.144 29 1HG2 THR 5 1HG2 THR 5 9.832 -5.534 7.718 30 2HG2 THR 5 2HG2 THR 5 11.450 -5.701 8.431 31 3HG2 THR 5 3HG2 THR 5 11.245 -4.825 6.901 32 H TRP 6 H TRP 6 9.581 -4.605 4.928 33 HA TRP 6 HA TRP 6 11.569 -4.091 2.790 34 1HB TRP 6 1HB TRP 6 8.551 -3.833 2.505 35 2HB TRP 6 2HB TRP 6 9.745 -3.256 1.344 36 HD1 TRP 6 HD1 TRP 6 8.122 -6.432 2.608 37 HE1 TRP 6 HE1 TRP 6 8.702 -8.421 1.037 38 HE3 TRP 6 HE3 TRP 6 11.481 -4.100 -0.440 39 HZ2 TRP 6 HZ2 TRP 6 10.462 -8.917 -1.167 40 HZ3 TRP 6 HZ3 TRP 6 12.657 -5.363 -2.214 41 HH2 TRP 6 HH2 TRP 6 12.151 -7.764 -2.599 42 H GLN 7 H GLN 7 12.194 -2.014 2.667 43 HA GLN 7 HA GLN 7 10.855 0.001 4.414 44 1HB GLN 7 1HB GLN 7 12.984 -0.692 5.356 45 2HB GLN 7 2HB GLN 7 13.811 -0.394 3.820 46 1HG GLN 7 1HG GLN 7 14.213 1.421 5.381 47 2HG GLN 7 2HG GLN 7 13.294 2.031 4.010 48 1HE2 GLN 7 1HE2 GLN 7 11.063 2.677 4.349 49 2HE2 GLN 7 2HE2 GLN 7 10.426 2.917 5.966 50 H VAL 8 H VAL 8 9.722 1.196 3.066 51 HA VAL 8 HA VAL 8 10.295 1.987 0.405 52 HB VAL 8 HB VAL 8 8.110 2.198 1.403 53 1HG1 VAL 8 1HG1 VAL 8 9.121 4.478 3.131 54 2HG1 VAL 8 2HG1 VAL 8 7.505 3.742 3.079 55 3HG1 VAL 8 3HG1 VAL 8 8.864 2.836 3.746 56 1HG2 VAL 8 1HG2 VAL 8 7.507 4.447 0.693 57 2HG2 VAL 8 2HG2 VAL 8 9.195 4.973 0.752 58 3HG2 VAL 8 3HG2 VAL 8 8.684 3.752 -0.440 59 H TYR 9 H TYR 9 11.532 3.586 -0.454 60 HA TYR 9 HA TYR 9 13.014 5.391 1.409 61 1HB TYR 9 1HB TYR 9 14.990 5.232 0.093 62 2HB TYR 9 2HB TYR 9 14.548 3.651 0.706 63 HD1 TYR 9 HD1 TYR 9 13.531 1.936 -0.857 64 HD2 TYR 9 HD2 TYR 9 15.295 5.604 -2.265 65 HE1 TYR 9 HE1 TYR 9 13.663 0.995 -3.149 66 HE2 TYR 9 HE2 TYR 9 15.515 4.625 -4.532 67 HH TYR 9 HH TYR 9 14.340 1.337 -5.310 68 H ALA 10 H ALA 10 12.007 4.830 -1.989 69 HA ALA 10 HA ALA 10 11.828 7.784 -2.391 70 1HB ALA 10 1HB ALA 10 11.958 5.484 -4.369 71 2HB ALA 10 2HB ALA 10 11.827 7.203 -4.793 72 3HB ALA 10 3HB ALA 10 13.273 6.603 -3.959 73 H GLN 11 H GLN 11 9.955 8.713 -3.210 74 HA GLN 11 HA GLN 11 7.603 7.227 -3.861 75 1HB GLN 11 1HB GLN 11 6.174 8.027 -2.054 76 2HB GLN 11 2HB GLN 11 7.435 6.979 -1.421 77 1HG GLN 11 1HG GLN 11 7.397 10.033 -1.288 78 2HG GLN 11 2HG GLN 11 6.996 8.931 0.027 79 1HE2 GLN 11 1HE2 GLN 11 8.818 7.244 0.557 80 2HE2 GLN 11 2HE2 GLN 11 10.455 7.879 0.552 81 H GLU 12 H GLU 12 5.980 8.487 -4.807 82 HA GLU 12 HA GLU 12 6.407 11.373 -5.003 83 1HB GLU 12 1HB GLU 12 7.842 10.335 -6.774 84 2HB GLU 12 2HB GLU 12 6.399 9.603 -7.487 85 1HG GLU 12 1HG GLU 12 5.436 11.829 -7.890 86 2HG GLU 12 2HG GLU 12 6.829 12.588 -7.093 87 HE2 GLU 12 HE2 GLU 12 9.033 11.955 -9.788 88 H ASN 13 H ASN 13 4.564 12.480 -5.556 89 HA ASN 13 HA ASN 13 2.408 12.975 -5.400 90 1HB ASN 13 1HB ASN 13 2.558 11.664 -7.598 91 2HB ASN 13 2HB ASN 13 1.735 10.346 -6.766 92 1HD2 ASN 13 1HD2 ASN 13 0.617 11.395 -9.010 93 2HD2 ASN 13 2HD2 ASN 13 -0.782 12.377 -8.623 94 H TYR 14 H TYR 14 3.726 11.535 -3.297 95 HA TYR 14 HA TYR 14 1.779 9.805 -1.947 96 1HB TYR 14 1HB TYR 14 4.039 9.102 -1.882 97 2HB TYR 14 2HB TYR 14 4.638 10.711 -1.507 98 HD1 TYR 14 HD1 TYR 14 2.675 7.859 -0.038 99 HD2 TYR 14 HD2 TYR 14 5.080 11.366 0.708 100 HE1 TYR 14 HE1 TYR 14 2.842 7.250 2.359 101 HE2 TYR 14 HE2 TYR 14 5.220 10.759 3.099 102 HH TYR 14 HH TYR 14 4.714 9.191 4.706 103 H GLU 15 H GLU 15 3.678 12.722 -1.056 104 HA GLU 15 HA GLU 15 2.152 13.513 1.162 105 1HB GLU 15 1HB GLU 15 3.312 15.653 0.952 106 2HB GLU 15 2HB GLU 15 4.397 14.307 0.652 107 1HG GLU 15 1HG GLU 15 5.017 15.831 -0.979 108 2HG GLU 15 2HG GLU 15 4.009 14.693 -1.867 109 HE2 GLU 15 HE2 GLU 15 2.684 17.648 -3.192 110 H GLU 16 H GLU 16 1.684 14.127 -2.289 111 HA GLU 16 HA GLU 16 -0.274 16.169 -1.993 112 1HB GLU 16 1HB GLU 16 1.293 15.526 -4.005 113 2HB GLU 16 2HB GLU 16 0.018 14.378 -4.409 114 1HG GLU 16 1HG GLU 16 -0.341 16.408 -5.660 115 2HG GLU 16 2HG GLU 16 -1.618 16.298 -4.437 116 HE2 GLU 16 HE2 GLU 16 -0.760 19.396 -3.134 117 H PHE 17 H PHE 17 -0.442 12.614 -2.444 118 HA PHE 17 HA PHE 17 -3.288 12.370 -2.592 119 1HB PHE 17 1HB PHE 17 -2.090 10.438 -3.145 120 2HB PHE 17 2HB PHE 17 -1.035 10.545 -1.752 121 HD1 PHE 17 HD1 PHE 17 -1.566 9.512 0.332 122 HD2 PHE 17 HD2 PHE 17 -4.575 9.813 -2.734 123 HE1 PHE 17 HE1 PHE 17 -2.951 7.847 1.531 124 HE2 PHE 17 HE2 PHE 17 -5.998 8.197 -1.473 125 HZ PHE 17 HZ PHE 17 -5.161 7.173 0.618 126 H LEU 18 H LEU 18 -1.067 12.221 0.237 127 HA LEU 18 HA LEU 18 -3.101 11.963 2.187 128 1HB LEU 18 1HB LEU 18 -0.420 13.384 2.413 129 2HB LEU 18 2HB LEU 18 -1.433 12.898 3.777 130 HG LEU 18 HG LEU 18 -0.156 10.962 1.807 131 1HD1 LEU 18 1HD1 LEU 18 1.386 10.453 3.649 132 2HD1 LEU 18 2HD1 LEU 18 1.491 12.168 3.216 133 3HD1 LEU 18 3HD1 LEU 18 0.602 11.675 4.670 134 1HD2 LEU 18 1HD2 LEU 18 -0.764 9.245 3.475 135 2HD2 LEU 18 2HD2 LEU 18 -1.628 10.467 4.433 136 3HD2 LEU 18 3HD2 LEU 18 -2.209 10.020 2.816 137 H LYS 19 H LYS 19 -1.711 14.943 0.741 138 HA LYS 19 HA LYS 19 -3.247 16.748 2.290 139 1HB LYS 19 1HB LYS 19 -1.275 17.387 1.062 140 2HB LYS 19 2HB LYS 19 -2.031 17.031 -0.491 141 1HG LYS 19 1HG LYS 19 -3.291 19.051 1.394 142 2HG LYS 19 2HG LYS 19 -1.866 19.485 0.436 143 1HD LYS 19 1HD LYS 19 -3.070 18.805 -1.651 144 2HD LYS 19 2HD LYS 19 -4.538 18.552 -0.693 145 1HE LYS 19 1HE LYS 19 -4.406 20.927 0.086 146 2HE LYS 19 2HE LYS 19 -3.009 21.168 -0.983 147 1HZ LYS 19 1HZ LYS 19 -5.713 20.385 -1.817 148 2HZ LYS 19 2HZ LYS 19 -5.025 21.868 -2.016 149 3HZ LYS 19 3HZ LYS 19 -4.423 20.565 -2.826 150 H ALA 20 H ALA 20 -4.028 15.106 -0.802 151 HA ALA 20 HA ALA 20 -6.572 16.438 -1.067 152 1HB ALA 20 1HB ALA 20 -5.644 13.833 -2.326 153 2HB ALA 20 2HB ALA 20 -6.934 14.917 -2.891 154 3HB ALA 20 3HB ALA 20 -5.244 15.449 -2.945 155 H LEU 21 H LEU 21 -5.515 13.813 1.003 156 HA LEU 21 HA LEU 21 -7.706 12.115 0.672 157 1HB LEU 21 1HB LEU 21 -5.506 11.437 1.471 158 2HB LEU 21 2HB LEU 21 -5.720 12.372 2.954 159 HG LEU 21 HG LEU 21 -7.563 10.898 3.656 160 1HD1 LEU 21 1HD1 LEU 21 -8.539 10.190 1.563 161 2HD1 LEU 21 2HD1 LEU 21 -6.995 9.519 0.993 162 3HD1 LEU 21 3HD1 LEU 21 -7.875 8.744 2.330 163 1HD2 LEU 21 1HD2 LEU 21 -5.025 9.443 2.800 164 2HD2 LEU 21 2HD2 LEU 21 -5.226 10.415 4.274 165 3HD2 LEU 21 3HD2 LEU 21 -6.156 8.920 4.068 166 H ALA 22 H ALA 22 -6.980 13.954 3.676 167 HA ALA 22 HA ALA 22 -9.619 14.941 4.069 168 1HB ALA 22 1HB ALA 22 -10.231 12.587 4.511 169 2HB ALA 22 2HB ALA 22 -8.899 12.441 5.673 170 3HB ALA 22 3HB ALA 22 -10.264 13.525 6.009 171 H LEU 23 H LEU 23 -6.934 13.559 5.977 172 HA LEU 23 HA LEU 23 -7.054 15.418 8.068 173 1HB LEU 23 1HB LEU 23 -4.671 14.611 8.556 174 2HB LEU 23 2HB LEU 23 -5.998 13.457 8.582 175 HG LEU 23 HG LEU 23 -5.272 12.546 6.408 176 1HD1 LEU 23 1HD1 LEU 23 -2.979 13.246 5.587 177 2HD1 LEU 23 2HD1 LEU 23 -4.254 14.423 5.279 178 3HD1 LEU 23 3HD1 LEU 23 -3.110 14.688 6.620 179 1HD2 LEU 23 1HD2 LEU 23 -3.007 12.812 8.431 180 2HD2 LEU 23 2HD2 LEU 23 -4.365 11.674 8.552 181 3HD2 LEU 23 3HD2 LEU 23 -3.201 11.526 7.224 182 HA PRO 24 HA PRO 24 -5.372 19.067 6.524 183 1HB PRO 24 1HB PRO 24 -4.273 20.354 8.661 184 2HB PRO 24 2HB PRO 24 -6.012 19.945 8.586 185 1HG PRO 24 1HG PRO 24 -3.802 18.353 9.918 186 2HG PRO 24 2HG PRO 24 -5.341 18.895 10.653 187 1HD PRO 24 1HD PRO 24 -5.084 16.415 9.633 188 2HD PRO 24 2HD PRO 24 -6.595 17.328 9.381 189 H GLU 25 H GLU 25 -3.468 20.418 6.144 190 HA GLU 25 HA GLU 25 -1.260 18.987 5.171 191 1HB GLU 25 1HB GLU 25 -1.694 21.940 5.746 192 2HB GLU 25 2HB GLU 25 -0.303 21.284 4.869 193 1HG GLU 25 1HG GLU 25 -1.809 20.260 3.191 194 2HG GLU 25 2HG GLU 25 -3.220 20.924 4.029 195 HE2 GLU 25 HE2 GLU 25 -2.401 24.295 3.110 196 H ASP 26 H ASP 26 -1.849 20.293 8.382 197 HA ASP 26 HA ASP 26 0.846 20.388 9.303 198 1HB ASP 26 1HB ASP 26 -0.944 21.433 10.546 199 2HB ASP 26 2HB ASP 26 -1.775 19.881 10.756 200 HD2 ASP 26 HD2 ASP 26 1.669 20.524 12.846 201 H LEU 27 H LEU 27 -1.488 17.666 8.968 202 HA LEU 27 HA LEU 27 0.436 15.818 10.220 203 1HB LEU 27 1HB LEU 27 -2.273 15.265 9.004 204 2HB LEU 27 2HB LEU 27 -1.243 14.116 9.871 205 HG LEU 27 HG LEU 27 -2.622 16.573 11.020 206 1HD1 LEU 27 1HD1 LEU 27 -2.812 13.611 11.721 207 2HD1 LEU 27 2HD1 LEU 27 -3.770 14.929 12.425 208 3HD1 LEU 27 3HD1 LEU 27 -3.982 14.492 10.722 209 1HD2 LEU 27 1HD2 LEU 27 -1.683 15.841 13.228 210 2HD2 LEU 27 2HD2 LEU 27 -0.599 14.732 12.367 211 3HD2 LEU 27 3HD2 LEU 27 -0.459 16.493 12.143 212 H ILE 28 H ILE 28 -0.491 16.743 6.903 213 HA ILE 28 HA ILE 28 0.955 14.508 5.760 214 HB ILE 28 HB ILE 28 0.609 15.288 3.701 215 1HG1 ILE 28 1HG1 ILE 28 -0.169 17.844 3.372 216 2HG1 ILE 28 2HG1 ILE 28 0.967 18.076 4.697 217 1HG2 ILE 28 1HG2 ILE 28 -1.649 16.663 5.170 218 2HG2 ILE 28 2HG2 ILE 28 -1.635 15.991 3.541 219 3HG2 ILE 28 3HG2 ILE 28 -1.473 14.910 4.929 220 1HD1 ILE 28 1HD1 ILE 28 2.177 18.295 2.617 221 2HD1 ILE 28 2HD1 ILE 28 2.638 16.707 3.272 222 3HD1 ILE 28 3HD1 ILE 28 1.442 16.818 1.970 223 H LYS 29 H LYS 29 1.812 17.781 6.790 224 HA LYS 29 HA LYS 29 4.558 17.879 6.091 225 1HB LYS 29 1HB LYS 29 3.301 19.768 6.850 226 2HB LYS 29 2HB LYS 29 3.066 19.024 8.442 227 1HG LYS 29 1HG LYS 29 5.605 18.974 8.683 228 2HG LYS 29 2HG LYS 29 5.692 19.948 7.206 229 1HD LYS 29 1HD LYS 29 4.234 20.651 9.799 230 2HD LYS 29 2HD LYS 29 5.832 21.240 9.301 231 1HE LYS 29 1HE LYS 29 4.810 22.359 7.331 232 2HE LYS 29 2HE LYS 29 3.203 21.813 7.853 233 1HZ LYS 29 1HZ LYS 29 3.451 23.059 9.840 234 2HZ LYS 29 2HZ LYS 29 4.965 23.552 9.416 235 3HZ LYS 29 3HZ LYS 29 3.663 24.043 8.535 236 H MET 30 H MET 30 2.804 16.332 8.844 237 HA MET 30 HA MET 30 5.193 15.697 10.272 238 1HB MET 30 1HB MET 30 2.698 15.880 11.082 239 2HB MET 30 2HB MET 30 2.624 14.162 10.646 240 1HG MET 30 1HG MET 30 4.749 13.901 12.065 241 2HG MET 30 2HG MET 30 4.492 15.557 12.607 242 1HE MET 30 1HE MET 30 4.599 14.682 15.135 243 2HE MET 30 2HE MET 30 3.615 13.323 15.727 244 3HE MET 30 3HE MET 30 4.868 13.041 14.500 245 H ALA 31 H ALA 31 3.183 13.881 7.937 246 HA ALA 31 HA ALA 31 4.810 11.464 8.072 247 1HB ALA 31 1HB ALA 31 3.328 10.690 6.300 248 2HB ALA 31 2HB ALA 31 2.375 11.451 7.590 249 3HB ALA 31 3HB ALA 31 2.686 12.333 6.079 250 H ARG 32 H ARG 32 5.050 14.464 6.388 251 HA ARG 32 HA ARG 32 5.551 14.142 3.887 252 1HB ARG 32 1HB ARG 32 5.765 16.248 5.246 253 2HB ARG 32 2HB ARG 32 7.427 15.818 5.613 254 1HG ARG 32 1HG ARG 32 7.694 17.265 3.825 255 2HG ARG 32 2HG ARG 32 7.700 15.719 2.982 256 1HD ARG 32 1HD ARG 32 6.230 17.155 1.737 257 2HD ARG 32 2HD ARG 32 5.194 16.027 2.604 258 HE ARG 32 HE ARG 32 4.316 17.737 3.851 259 1HH1 ARG 32 1HH1 ARG 32 7.284 18.935 2.318 260 2HH1 ARG 32 2HH1 ARG 32 6.976 20.600 2.729 261 1HH2 ARG 32 1HH2 ARG 32 3.912 19.927 4.370 262 2HH2 ARG 32 2HH2 ARG 32 5.055 21.163 3.911 263 H ASP 33 H ASP 33 8.381 13.891 6.099 264 HA ASP 33 HA ASP 33 9.906 12.454 3.952 265 1HB ASP 33 1HB ASP 33 10.851 14.400 6.099 266 2HB ASP 33 2HB ASP 33 11.878 13.584 4.909 267 HD2 ASP 33 HD2 ASP 33 10.670 15.498 2.172 268 H ILE 34 H ILE 34 8.145 11.209 5.898 269 HA ILE 34 HA ILE 34 10.110 9.653 7.529 270 HB ILE 34 HB ILE 34 7.215 10.445 8.036 271 1HG1 ILE 34 1HG1 ILE 34 8.098 10.999 10.275 272 2HG1 ILE 34 2HG1 ILE 34 9.731 10.560 9.770 273 1HG2 ILE 34 1HG2 ILE 34 8.800 8.191 9.334 274 2HG2 ILE 34 2HG2 ILE 34 7.289 8.869 9.973 275 3HG2 ILE 34 3HG2 ILE 34 7.283 8.041 8.417 276 1HD1 ILE 34 1HD1 ILE 34 9.920 12.499 8.417 277 2HD1 ILE 34 2HD1 ILE 34 8.155 12.733 8.334 278 3HD1 ILE 34 3HD1 ILE 34 9.050 13.066 9.828 279 H LYS 35 H LYS 35 10.329 7.660 6.894 280 HA LYS 35 HA LYS 35 8.804 6.629 4.584 281 1HB LYS 35 1HB LYS 35 11.566 6.223 5.723 282 2HB LYS 35 2HB LYS 35 10.891 5.138 4.521 283 1HG LYS 35 1HG LYS 35 10.977 6.640 2.818 284 2HG LYS 35 2HG LYS 35 10.622 8.038 3.831 285 1HD LYS 35 1HD LYS 35 13.305 6.602 3.891 286 2HD LYS 35 2HD LYS 35 12.938 7.962 2.810 287 1HE LYS 35 1HE LYS 35 12.389 9.403 4.745 288 2HE LYS 35 2HE LYS 35 12.789 8.089 5.862 289 1HZ LYS 35 1HZ LYS 35 15.010 8.117 5.016 290 2HZ LYS 35 2HZ LYS 35 14.643 9.341 3.972 291 3HZ LYS 35 3HZ LYS 35 14.586 9.600 5.598 292 HA PRO 36 HA PRO 36 7.229 4.182 8.134 293 1HB PRO 36 1HB PRO 36 4.900 3.246 7.053 294 2HB PRO 36 2HB PRO 36 5.115 4.956 7.538 295 1HG PRO 36 1HG PRO 36 5.426 3.811 4.767 296 2HG PRO 36 2HG PRO 36 4.458 5.231 5.272 297 1HD PRO 36 1HD PRO 36 6.952 5.521 4.272 298 2HD PRO 36 2HD PRO 36 6.398 6.542 5.603 299 H ILE 37 H ILE 37 8.004 2.170 8.632 300 HA ILE 37 HA ILE 37 9.047 0.498 6.486 301 HB ILE 37 HB ILE 37 10.386 0.908 8.389 302 1HG1 ILE 37 1HG1 ILE 37 10.393 -1.374 7.171 303 2HG1 ILE 37 2HG1 ILE 37 11.338 -1.129 8.635 304 1HG2 ILE 37 1HG2 ILE 37 8.261 -0.355 10.112 305 2HG2 ILE 37 2HG2 ILE 37 9.937 -0.069 10.627 306 3HG2 ILE 37 3HG2 ILE 37 8.915 1.295 10.200 307 1HD1 ILE 37 1HD1 ILE 37 10.225 -3.309 8.625 308 2HD1 ILE 37 2HD1 ILE 37 9.722 -2.333 10.000 309 3HD1 ILE 37 3HD1 ILE 37 8.634 -2.540 8.617 310 H VAL 38 H VAL 38 8.392 -1.570 5.941 311 HA VAL 38 HA VAL 38 5.571 -2.253 6.654 312 HB VAL 38 HB VAL 38 7.006 -2.326 3.967 313 1HG1 VAL 38 1HG1 VAL 38 4.737 -2.843 3.053 314 2HG1 VAL 38 2HG1 VAL 38 5.359 -4.132 4.083 315 3HG1 VAL 38 3HG1 VAL 38 4.126 -3.013 4.711 316 1HG2 VAL 38 1HG2 VAL 38 5.336 -0.569 3.328 317 2HG2 VAL 38 2HG2 VAL 38 4.816 -0.482 5.025 318 3HG2 VAL 38 3HG2 VAL 38 6.471 -0.025 4.561 319 H GLU 39 H GLU 39 5.072 -4.425 6.813 320 HA GLU 39 HA GLU 39 7.159 -6.435 6.225 321 1HB GLU 39 1HB GLU 39 7.282 -5.951 8.665 322 2HB GLU 39 2HB GLU 39 5.563 -6.369 8.816 323 1HG GLU 39 1HG GLU 39 6.054 -8.669 8.009 324 2HG GLU 39 2HG GLU 39 7.753 -8.230 7.773 325 HE2 GLU 39 HE2 GLU 39 6.307 -8.699 11.552 326 H ILE 40 H ILE 40 6.369 -8.114 5.155 327 HA ILE 40 HA ILE 40 3.434 -8.507 4.889 328 HB ILE 40 HB ILE 40 5.544 -9.636 3.057 329 1HG1 ILE 40 1HG1 ILE 40 6.103 -7.292 2.994 330 2HG1 ILE 40 2HG1 ILE 40 5.411 -7.838 1.476 331 1HG2 ILE 40 1HG2 ILE 40 2.630 -8.873 2.665 332 2HG2 ILE 40 2HG2 ILE 40 3.677 -9.601 1.434 333 3HG2 ILE 40 3HG2 ILE 40 3.272 -10.494 2.914 334 1HD1 ILE 40 1HD1 ILE 40 4.629 -5.581 2.209 335 2HD1 ILE 40 2HD1 ILE 40 3.309 -6.727 1.940 336 3HD1 ILE 40 3HD1 ILE 40 3.826 -6.333 3.600 337 H GLN 41 H GLN 41 2.698 -10.636 5.374 338 HA GLN 41 HA GLN 41 4.694 -12.785 5.672 339 1HB GLN 41 1HB GLN 41 2.719 -12.163 7.909 340 2HB GLN 41 2HB GLN 41 3.819 -13.543 7.805 341 1HG GLN 41 1HG GLN 41 5.758 -11.930 7.836 342 2HG GLN 41 2HG GLN 41 4.595 -10.610 8.075 343 1HE2 GLN 41 1HE2 GLN 41 5.724 -13.706 9.502 344 2HE2 GLN 41 2HE2 GLN 41 5.363 -13.258 11.157 345 H GLN 42 H GLN 42 3.899 -14.782 5.190 346 HA GLN 42 HA GLN 42 1.263 -15.580 5.438 347 1HB GLN 42 1HB GLN 42 0.439 -15.883 3.293 348 2HB GLN 42 2HB GLN 42 0.796 -14.189 3.408 349 1HG GLN 42 1HG GLN 42 2.469 -16.292 1.928 350 2HG GLN 42 2HG GLN 42 1.299 -15.206 1.203 351 1HE2 GLN 42 1HE2 GLN 42 2.145 -12.816 2.828 352 2HE2 GLN 42 2HE2 GLN 42 3.658 -12.333 2.098 353 H LYS 43 H LYS 43 0.913 -17.711 4.028 354 HA LYS 43 HA LYS 43 3.338 -19.026 3.174 355 1HB LYS 43 1HB LYS 43 3.145 -20.980 4.644 356 2HB LYS 43 2HB LYS 43 3.518 -19.517 5.555 357 1HG LYS 43 1HG LYS 43 1.141 -19.323 6.263 358 2HG LYS 43 2HG LYS 43 0.747 -20.776 5.329 359 1HD LYS 43 1HD LYS 43 2.512 -22.009 6.707 360 2HD LYS 43 2HD LYS 43 2.584 -20.567 7.740 361 1HE LYS 43 1HE LYS 43 0.107 -20.792 8.130 362 2HE LYS 43 2HE LYS 43 0.116 -22.283 7.165 363 1HZ LYS 43 1HZ LYS 43 1.753 -21.910 9.569 364 2HZ LYS 43 2HZ LYS 43 0.252 -22.588 9.582 365 3HZ LYS 43 3HZ LYS 43 1.474 -23.312 8.746 366 H GLY 44 H GLY 44 1.030 -18.099 1.816 367 1HA GLY 44 1HA GLY 44 0.477 -20.063 0.055 368 2HA GLY 44 2HA GLY 44 -0.705 -20.411 1.328 369 H ASP 45 H ASP 45 -2.614 -19.761 0.577 370 HA ASP 45 HA ASP 45 -3.029 -17.782 -1.390 371 1HB ASP 45 1HB ASP 45 -5.400 -18.186 -0.995 372 2HB ASP 45 2HB ASP 45 -4.497 -19.704 -1.049 373 HD2 ASP 45 HD2 ASP 45 -6.520 -18.676 2.255 374 H ASP 46 H ASP 46 -2.976 -17.530 2.147 375 HA ASP 46 HA ASP 46 -4.392 -14.995 2.259 376 1HB ASP 46 1HB ASP 46 -4.377 -16.577 4.147 377 2HB ASP 46 2HB ASP 46 -2.612 -16.437 4.262 378 HD2 ASP 46 HD2 ASP 46 -4.916 -13.283 5.428 379 H PHE 47 H PHE 47 -3.398 -12.997 2.866 380 HA PHE 47 HA PHE 47 -0.481 -12.638 2.744 381 1HB PHE 47 1HB PHE 47 -2.409 -11.423 0.772 382 2HB PHE 47 2HB PHE 47 -0.882 -10.644 1.203 383 HD1 PHE 47 HD1 PHE 47 1.267 -11.504 0.435 384 HD2 PHE 47 HD2 PHE 47 -2.404 -13.545 -0.530 385 HE1 PHE 47 HE1 PHE 47 2.506 -13.048 -1.067 386 HE2 PHE 47 HE2 PHE 47 -1.122 -15.199 -1.865 387 HZ PHE 47 HZ PHE 47 1.324 -14.919 -2.178 388 H VAL 48 H VAL 48 -0.226 -11.744 4.725 389 HA VAL 48 HA VAL 48 -2.167 -9.639 5.559 390 HB VAL 48 HB VAL 48 -1.769 -11.872 6.941 391 1HG1 VAL 48 1HG1 VAL 48 0.702 -11.512 7.194 392 2HG1 VAL 48 2HG1 VAL 48 0.366 -10.048 8.143 393 3HG1 VAL 48 3HG1 VAL 48 -0.161 -11.633 8.733 394 1HG2 VAL 48 1HG2 VAL 48 -1.961 -9.110 8.205 395 2HG2 VAL 48 2HG2 VAL 48 -3.306 -10.075 7.552 396 3HG2 VAL 48 3HG2 VAL 48 -2.419 -10.647 8.968 397 H VAL 49 H VAL 49 -1.379 -7.670 6.184 398 HA VAL 49 HA VAL 49 1.516 -7.107 5.735 399 HB VAL 49 HB VAL 49 -0.887 -5.663 4.555 400 1HG1 VAL 49 1HG1 VAL 49 0.749 -3.981 5.282 401 2HG1 VAL 49 2HG1 VAL 49 2.066 -4.901 4.523 402 3HG1 VAL 49 3HG1 VAL 49 0.808 -4.139 3.526 403 1HG2 VAL 49 1HG2 VAL 49 0.242 -6.174 2.389 404 2HG2 VAL 49 2HG2 VAL 49 1.447 -7.112 3.288 405 3HG2 VAL 49 3HG2 VAL 49 -0.244 -7.642 3.254 406 H THR 50 H THR 50 2.345 -5.837 7.262 407 HA THR 50 HA THR 50 0.562 -4.127 8.935 408 HB THR 50 HB THR 50 2.897 -5.851 9.855 409 HG1 THR 50 HG1 THR 50 0.180 -5.787 10.671 410 1HG2 THR 50 1HG2 THR 50 1.298 -3.717 11.340 411 2HG2 THR 50 2HG2 THR 50 2.307 -4.944 12.135 412 3HG2 THR 50 3HG2 THR 50 3.055 -3.749 11.064 413 H SER 51 H SER 51 1.334 -2.075 9.304 414 HA SER 51 HA SER 51 4.022 -1.380 8.262 415 1HB SER 51 1HB SER 51 3.103 0.784 7.555 416 2HB SER 51 2HB SER 51 2.296 -0.552 6.713 417 HG SER 51 HG SER 51 1.301 0.733 9.046 418 H LYS 52 H LYS 52 5.205 0.007 9.551 419 HA LYS 52 HA LYS 52 4.064 0.833 12.167 420 1HB LYS 52 1HB LYS 52 5.237 -1.334 12.463 421 2HB LYS 52 2HB LYS 52 6.637 -0.683 11.624 422 1HG LYS 52 1HG LYS 52 7.385 -0.500 13.726 423 2HG LYS 52 2HG LYS 52 6.674 1.098 13.609 424 1HD LYS 52 1HD LYS 52 5.449 -1.385 14.907 425 2HD LYS 52 2HD LYS 52 6.218 -0.030 15.742 426 1HE LYS 52 1HE LYS 52 4.423 1.487 14.765 427 2HE LYS 52 2HE LYS 52 3.604 0.008 14.200 428 1HZ LYS 52 1HZ LYS 52 2.738 0.691 16.277 429 2HZ LYS 52 2HZ LYS 52 3.546 -0.728 16.482 430 3HZ LYS 52 3HZ LYS 52 4.227 0.687 16.981 431 H THR 53 H THR 53 4.654 2.814 12.789 432 HA THR 53 HA THR 53 7.036 4.144 11.710 433 HB THR 53 HB THR 53 4.363 5.559 11.566 434 HG1 THR 53 HG1 THR 53 5.458 3.855 9.603 435 1HG2 THR 53 1HG2 THR 53 6.944 5.976 10.052 436 2HG2 THR 53 2HG2 THR 53 5.411 6.815 9.727 437 3HG2 THR 53 3HG2 THR 53 6.199 7.032 11.286 438 HA PRO 54 HA PRO 54 6.541 5.546 15.979 439 1HB PRO 54 1HB PRO 54 8.380 7.542 16.187 440 2HB PRO 54 2HB PRO 54 8.832 5.844 15.899 441 1HG PRO 54 1HG PRO 54 8.472 8.009 13.806 442 2HG PRO 54 2HG PRO 54 9.907 6.968 14.059 443 1HD PRO 54 1HD PRO 54 8.026 6.331 12.229 444 2HD PRO 54 2HD PRO 54 8.738 5.045 13.223 445 H ARG 55 H ARG 55 4.653 6.572 13.941 446 HA ARG 55 HA ARG 55 3.253 8.493 15.451 447 1HB ARG 55 1HB ARG 55 3.378 10.435 13.886 448 2HB ARG 55 2HB ARG 55 4.894 10.118 14.699 449 1HG ARG 55 1HG ARG 55 5.669 8.845 12.622 450 2HG ARG 55 2HG ARG 55 4.162 9.346 11.834 451 1HD ARG 55 1HD ARG 55 5.944 10.835 11.184 452 2HD ARG 55 2HD ARG 55 4.807 11.712 12.220 453 HE ARG 55 HE ARG 55 6.801 10.627 13.893 454 1HH1 ARG 55 1HH1 ARG 55 6.704 13.027 11.259 455 2HH1 ARG 55 2HH1 ARG 55 8.019 13.960 11.921 456 1HH2 ARG 55 1HH2 ARG 55 8.501 11.872 14.731 457 2HH2 ARG 55 2HH2 ARG 55 9.060 13.291 13.886 458 H GLN 56 H GLN 56 3.050 5.899 13.752 459 HA GLN 56 HA GLN 56 0.444 6.188 12.758 460 1HB GLN 56 1HB GLN 56 2.469 7.148 10.877 461 2HB GLN 56 2HB GLN 56 1.823 5.624 10.279 462 1HG GLN 56 1HG GLN 56 -0.496 6.535 10.593 463 2HG GLN 56 2HG GLN 56 0.212 8.096 11.018 464 1HE2 GLN 56 1HE2 GLN 56 0.068 5.604 8.416 465 2HE2 GLN 56 2HE2 GLN 56 0.325 6.730 7.101 466 H THR 57 H THR 57 -0.386 4.106 12.181 467 HA THR 57 HA THR 57 1.277 1.971 11.334 468 HB THR 57 HB THR 57 2.082 1.864 13.626 469 HG1 THR 57 HG1 THR 57 1.577 -0.090 12.542 470 1HG2 THR 57 1HG2 THR 57 0.630 1.471 15.533 471 2HG2 THR 57 2HG2 THR 57 0.248 3.034 14.792 472 3HG2 THR 57 3HG2 THR 57 -0.815 1.631 14.514 473 H VAL 58 H VAL 58 0.038 0.076 10.820 474 HA VAL 58 HA VAL 58 -2.686 -0.201 11.531 475 HB VAL 58 HB VAL 58 -2.526 1.617 9.572 476 1HG1 VAL 58 1HG1 VAL 58 -2.834 0.763 7.359 477 2HG1 VAL 58 2HG1 VAL 58 -1.311 0.121 7.988 478 3HG1 VAL 58 3HG1 VAL 58 -2.751 -0.916 7.910 479 1HG2 VAL 58 1HG2 VAL 58 -4.636 -0.572 9.552 480 2HG2 VAL 58 2HG2 VAL 58 -4.609 0.830 10.645 481 3HG2 VAL 58 3HG2 VAL 58 -4.797 1.069 8.902 482 H THR 59 H THR 59 -3.630 -2.170 10.454 483 HA THR 59 HA THR 59 -1.695 -3.933 9.111 484 HB THR 59 HB THR 59 -3.283 -4.673 11.604 485 HG1 THR 59 HG1 THR 59 -1.175 -3.657 11.777 486 1HG2 THR 59 1HG2 THR 59 -1.710 -6.482 9.713 487 2HG2 THR 59 2HG2 THR 59 -2.256 -6.937 11.336 488 3HG2 THR 59 3HG2 THR 59 -3.447 -6.582 10.078 489 H ASN 60 H ASN 60 -2.653 -5.337 7.660 490 HA ASN 60 HA ASN 60 -5.571 -5.347 7.347 491 1HB ASN 60 1HB ASN 60 -5.305 -4.998 4.928 492 2HB ASN 60 2HB ASN 60 -5.042 -3.531 5.869 493 1HD2 ASN 60 1HD2 ASN 60 -2.563 -3.177 6.444 494 2HD2 ASN 60 2HD2 ASN 60 -1.498 -3.373 5.069 495 H SER 61 H SER 61 -6.319 -6.993 5.946 496 HA SER 61 HA SER 61 -4.548 -9.354 5.658 497 1HB SER 61 1HB SER 61 -6.364 -10.688 6.754 498 2HB SER 61 2HB SER 61 -5.585 -9.545 7.864 499 HG SER 61 HG SER 61 -8.001 -9.041 6.466 500 H PHE 62 H PHE 62 -4.776 -10.146 3.653 501 HA PHE 62 HA PHE 62 -7.423 -10.187 2.368 502 1HB PHE 62 1HB PHE 62 -6.479 -9.235 0.296 503 2HB PHE 62 2HB PHE 62 -6.542 -8.070 1.619 504 HD1 PHE 62 HD1 PHE 62 -4.367 -10.066 -0.586 505 HD2 PHE 62 HD2 PHE 62 -4.497 -7.114 2.555 506 HE1 PHE 62 HE1 PHE 62 -2.028 -9.443 -1.075 507 HE2 PHE 62 HE2 PHE 62 -2.175 -6.445 2.012 508 HZ PHE 62 HZ PHE 62 -0.918 -7.628 0.221 509 H THR 63 H THR 63 -7.108 -11.326 0.105 510 HA THR 63 HA THR 63 -5.342 -13.675 0.360 511 HB THR 63 HB THR 63 -8.356 -13.623 0.760 512 HG1 THR 63 HG1 THR 63 -6.847 -13.488 2.564 513 1HG2 THR 63 1HG2 THR 63 -8.258 -16.127 0.815 514 2HG2 THR 63 2HG2 THR 63 -8.017 -15.460 -0.802 515 3HG2 THR 63 3HG2 THR 63 -6.620 -16.047 0.133 516 H LEU 64 H LEU 64 -5.205 -14.910 -1.522 517 HA LEU 64 HA LEU 64 -5.739 -13.564 -4.004 518 1HB LEU 64 1HB LEU 64 -4.835 -16.387 -3.329 519 2HB LEU 64 2HB LEU 64 -4.997 -15.796 -4.986 520 HG LEU 64 HG LEU 64 -3.140 -14.571 -2.911 521 1HD1 LEU 64 1HD1 LEU 64 -2.435 -16.855 -3.508 522 2HD1 LEU 64 2HD1 LEU 64 -2.620 -16.490 -5.233 523 3HD1 LEU 64 3HD1 LEU 64 -1.354 -15.688 -4.288 524 1HD2 LEU 64 1HD2 LEU 64 -2.100 -13.479 -4.890 525 2HD2 LEU 64 2HD2 LEU 64 -3.384 -14.145 -5.925 526 3HD2 LEU 64 3HD2 LEU 64 -3.763 -12.941 -4.678 527 H GLY 65 H GLY 65 -7.546 -13.502 -5.129 528 1HA GLY 65 1HA GLY 65 -9.496 -14.085 -6.135 529 2HA GLY 65 2HA GLY 65 -9.127 -15.782 -5.778 530 H LYS 66 H LYS 66 -9.528 -13.127 -3.409 531 HA LYS 66 HA LYS 66 -12.250 -13.838 -2.712 532 1HB LYS 66 1HB LYS 66 -10.397 -15.515 -1.628 533 2HB LYS 66 2HB LYS 66 -10.303 -14.206 -0.448 534 1HG LYS 66 1HG LYS 66 -12.770 -14.458 -0.045 535 2HG LYS 66 2HG LYS 66 -12.820 -15.724 -1.291 536 1HD LYS 66 1HD LYS 66 -11.200 -17.070 0.022 537 2HD LYS 66 2HD LYS 66 -11.157 -15.803 1.267 538 1HE LYS 66 1HE LYS 66 -13.583 -16.131 1.684 539 2HE LYS 66 2HE LYS 66 -13.635 -17.387 0.432 540 1HZ LYS 66 1HZ LYS 66 -13.440 -18.303 2.624 541 2HZ LYS 66 2HZ LYS 66 -12.106 -18.670 1.728 542 3HZ LYS 66 3HZ LYS 66 -12.025 -17.499 2.886 543 H GLU 67 H GLU 67 -12.780 -12.544 -0.571 544 HA GLU 67 HA GLU 67 -12.528 -9.853 -1.033 545 1HB GLU 67 1HB GLU 67 -13.346 -9.537 1.256 546 2HB GLU 67 2HB GLU 67 -14.228 -10.810 0.399 547 1HG GLU 67 1HG GLU 67 -12.898 -12.541 1.614 548 2HG GLU 67 2HG GLU 67 -12.013 -11.262 2.459 549 HE2 GLU 67 HE2 GLU 67 -15.823 -12.111 3.513 550 H ALA 68 H ALA 68 -11.242 -8.223 -0.432 551 HA ALA 68 HA ALA 68 -8.762 -8.786 1.130 552 1HB ALA 68 1HB ALA 68 -7.569 -7.374 -0.561 553 2HB ALA 68 2HB ALA 68 -8.194 -8.910 -1.217 554 3HB ALA 68 3HB ALA 68 -9.030 -7.388 -1.557 555 H ASP 69 H ASP 69 -9.595 -7.784 2.970 556 HA ASP 69 HA ASP 69 -10.476 -5.013 2.920 557 1HB ASP 69 1HB ASP 69 -11.093 -6.628 4.726 558 2HB ASP 69 2HB ASP 69 -9.400 -6.670 5.243 559 HD2 ASP 69 HD2 ASP 69 -9.470 -3.227 6.342 560 H ILE 70 H ILE 70 -9.151 -3.244 2.872 561 HA ILE 70 HA ILE 70 -6.353 -3.520 3.794 562 HB ILE 70 HB ILE 70 -7.132 -2.112 1.238 563 1HG1 ILE 70 1HG1 ILE 70 -5.615 -4.675 1.914 564 2HG1 ILE 70 2HG1 ILE 70 -6.998 -4.470 0.826 565 1HG2 ILE 70 1HG2 ILE 70 -4.750 -1.544 1.057 566 2HG2 ILE 70 2HG2 ILE 70 -5.413 -0.852 2.518 567 3HG2 ILE 70 3HG2 ILE 70 -4.427 -2.330 2.622 568 1HD1 ILE 70 1HD1 ILE 70 -5.464 -3.107 -0.671 569 2HD1 ILE 70 2HD1 ILE 70 -4.119 -3.626 0.386 570 3HD1 ILE 70 3HD1 ILE 70 -5.056 -4.835 -0.500 571 H THR 71 H THR 71 -5.568 -1.878 4.884 572 HA THR 71 HA THR 71 -5.734 -0.551 6.648 573 HB THR 71 HB THR 71 -5.027 0.842 4.734 574 HG1 THR 71 HG1 THR 71 -5.147 2.729 5.900 575 1HG2 THR 71 1HG2 THR 71 -6.515 2.669 3.994 576 2HG2 THR 71 2HG2 THR 71 -7.147 1.092 3.502 577 3HG2 THR 71 3HG2 THR 71 -7.844 1.932 4.909 578 H THR 72 H THR 72 -7.125 1.587 7.420 579 HA THR 72 HA THR 72 -9.725 1.596 7.906 580 HB THR 72 HB THR 72 -9.962 -0.637 8.631 581 HG1 THR 72 HG1 THR 72 -9.994 0.984 10.916 582 1HG2 THR 72 1HG2 THR 72 -8.094 -0.368 10.991 583 2HG2 THR 72 2HG2 THR 72 -8.861 -1.792 10.299 584 3HG2 THR 72 3HG2 THR 72 -7.526 -1.021 9.435 585 H MET 73 H MET 73 -7.227 1.238 10.432 586 HA MET 73 HA MET 73 -8.060 3.847 11.493 587 1HB MET 73 1HB MET 73 -7.901 1.737 12.851 588 2HB MET 73 2HB MET 73 -6.141 1.816 12.693 589 1HG MET 73 1HG MET 73 -6.198 4.067 13.817 590 2HG MET 73 2HG MET 73 -7.960 3.948 13.899 591 1HE MET 73 1HE MET 73 -7.331 3.559 17.638 592 2HE MET 73 2HE MET 73 -6.523 4.687 16.524 593 3HE MET 73 3HE MET 73 -8.261 4.343 16.343 594 H ASP 74 H ASP 74 -7.018 4.602 9.330 595 HA ASP 74 HA ASP 74 -4.940 6.350 10.051 596 1HB ASP 74 1HB ASP 74 -4.106 3.906 8.445 597 2HB ASP 74 2HB ASP 74 -3.483 5.480 7.953 598 HD2 ASP 74 HD2 ASP 74 -1.060 3.965 10.202 599 H GLY 75 H GLY 75 -5.855 4.646 7.026 600 1HA GLY 75 1HA GLY 75 -6.496 7.234 5.740 601 2HA GLY 75 2HA GLY 75 -6.329 5.658 4.965 602 H LYS 76 H LYS 76 -8.099 4.336 4.755 603 HA LYS 76 HA LYS 76 -10.563 4.691 6.209 604 1HB LYS 76 1HB LYS 76 -10.904 6.556 4.691 605 2HB LYS 76 2HB LYS 76 -10.318 5.620 3.312 606 1HG LYS 76 1HG LYS 76 -12.734 5.868 3.235 607 2HG LYS 76 2HG LYS 76 -12.278 4.172 3.384 608 1HD LYS 76 1HD LYS 76 -12.790 4.314 5.871 609 2HD LYS 76 2HD LYS 76 -13.245 6.009 5.632 610 1HE LYS 76 1HE LYS 76 -15.243 4.638 5.688 611 2HE LYS 76 2HE LYS 76 -15.036 5.259 4.042 612 1HZ LYS 76 1HZ LYS 76 -14.252 2.577 4.972 613 2HZ LYS 76 2HZ LYS 76 -15.608 2.931 4.103 614 3HZ LYS 76 3HZ LYS 76 -14.117 3.130 3.433 615 H LYS 77 H LYS 77 -11.167 2.620 6.452 616 HA LYS 77 HA LYS 77 -9.928 0.425 5.409 617 1HB LYS 77 1HB LYS 77 -11.624 0.590 7.356 618 2HB LYS 77 2HB LYS 77 -12.905 0.573 6.151 619 1HG LYS 77 1HG LYS 77 -11.867 -1.689 5.358 620 2HG LYS 77 2HG LYS 77 -10.910 -1.612 6.824 621 1HD LYS 77 1HD LYS 77 -12.681 -2.834 7.623 622 2HD LYS 77 2HD LYS 77 -13.216 -1.206 8.034 623 1HE LYS 77 1HE LYS 77 -15.055 -2.432 7.031 624 2HE LYS 77 2HE LYS 77 -14.566 -1.172 5.888 625 1HZ LYS 77 1HZ LYS 77 -14.935 -3.370 4.898 626 2HZ LYS 77 2HZ LYS 77 -13.406 -2.819 4.628 627 3HZ LYS 77 3HZ LYS 77 -13.663 -3.971 5.767 628 H LEU 78 H LEU 78 -10.257 -0.882 3.564 629 HA LEU 78 HA LEU 78 -12.273 -0.086 1.495 630 1HB LEU 78 1HB LEU 78 -9.372 -0.971 1.328 631 2HB LEU 78 2HB LEU 78 -10.419 -1.007 -0.087 632 HG LEU 78 HG LEU 78 -10.170 1.552 1.484 633 1HD1 LEU 78 1HD1 LEU 78 -7.857 0.825 1.012 634 2HD1 LEU 78 2HD1 LEU 78 -8.287 0.588 -0.694 635 3HD1 LEU 78 3HD1 LEU 78 -8.308 2.222 0.017 636 1HD2 LEU 78 1HD2 LEU 78 -10.669 2.560 -0.700 637 2HD2 LEU 78 2HD2 LEU 78 -10.654 0.961 -1.471 638 3HD2 LEU 78 3HD2 LEU 78 -11.917 1.372 -0.289 639 H LYS 79 H LYS 79 -12.292 -1.943 -0.174 640 HA LYS 79 HA LYS 79 -12.069 -4.636 0.843 641 1HB LYS 79 1HB LYS 79 -14.451 -5.219 0.291 642 2HB LYS 79 2HB LYS 79 -14.223 -4.279 1.770 643 1HG LYS 79 1HG LYS 79 -14.928 -2.214 0.602 644 2HG LYS 79 2HG LYS 79 -15.146 -3.135 -0.899 645 1HD LYS 79 1HD LYS 79 -16.842 -4.568 0.255 646 2HD LYS 79 2HD LYS 79 -16.625 -3.599 1.722 647 1HE LYS 79 1HE LYS 79 -18.620 -2.861 0.553 648 2HE LYS 79 2HE LYS 79 -17.404 -1.572 0.501 649 1HZ LYS 79 1HZ LYS 79 -17.999 -3.471 -1.671 650 2HZ LYS 79 2HZ LYS 79 -18.487 -1.899 -1.604 651 3HZ LYS 79 3HZ LYS 79 -16.886 -2.257 -1.737 652 H CYS 80 H CYS 80 -11.185 -5.693 -0.812 653 HA CYS 80 HA CYS 80 -11.784 -4.931 -3.642 654 1HB CYS 80 1HB CYS 80 -9.059 -5.200 -2.281 655 2HB CYS 80 2HB CYS 80 -9.305 -5.085 -4.031 656 HG CYS 80 HG CYS 80 -8.441 -2.841 -3.210 657 H THR 81 H THR 81 -10.240 -6.680 -4.970 658 HA THR 81 HA THR 81 -10.481 -9.359 -3.717 659 HB THR 81 HB THR 81 -11.446 -8.750 -6.541 660 HG1 THR 81 HG1 THR 81 -12.810 -9.266 -4.117 661 1HG2 THR 81 1HG2 THR 81 -12.239 -11.083 -6.481 662 2HG2 THR 81 2HG2 THR 81 -10.487 -11.051 -6.231 663 3HG2 THR 81 3HG2 THR 81 -11.574 -11.292 -4.849 664 H VAL 82 H VAL 82 -8.259 -9.139 -3.340 665 HA VAL 82 HA VAL 82 -6.333 -8.489 -5.351 666 HB VAL 82 HB VAL 82 -6.148 -9.893 -2.671 667 1HG1 VAL 82 1HG1 VAL 82 -4.281 -10.766 -3.963 668 2HG1 VAL 82 2HG1 VAL 82 -3.922 -9.151 -4.621 669 3HG1 VAL 82 3HG1 VAL 82 -3.663 -9.500 -2.902 670 1HG2 VAL 82 1HG2 VAL 82 -5.096 -7.181 -3.595 671 2HG2 VAL 82 2HG2 VAL 82 -6.679 -7.382 -2.825 672 3HG2 VAL 82 3HG2 VAL 82 -5.204 -7.787 -1.936 673 H HIS 83 H HIS 83 -5.434 -9.612 -6.910 674 HA HIS 83 HA HIS 83 -5.323 -12.538 -6.830 675 1HB HIS 83 1HB HIS 83 -6.048 -12.644 -9.206 676 2HB HIS 83 2HB HIS 83 -7.331 -12.232 -8.075 677 HD1 HIS 83 HD1 HIS 83 -8.148 -9.648 -8.077 678 HD2 HIS 83 HD2 HIS 83 -5.518 -10.798 -11.178 679 HE1 HIS 83 HE1 HIS 83 -8.291 -7.861 -9.897 680 HE2 HIS 83 HE2 HIS 83 -6.691 -8.541 -11.784 681 H LEU 84 H LEU 84 -3.659 -13.331 -8.191 682 HA LEU 84 HA LEU 84 -1.459 -11.410 -8.478 683 1HB LEU 84 1HB LEU 84 -1.278 -13.655 -7.206 684 2HB LEU 84 2HB LEU 84 -1.324 -14.415 -8.797 685 HG LEU 84 HG LEU 84 0.667 -12.785 -9.363 686 1HD1 LEU 84 1HD1 LEU 84 0.845 -12.831 -6.306 687 2HD1 LEU 84 2HD1 LEU 84 2.035 -12.136 -7.416 688 3HD1 LEU 84 3HD1 LEU 84 0.428 -11.400 -7.253 689 1HD2 LEU 84 1HD2 LEU 84 1.096 -15.041 -7.367 690 2HD2 LEU 84 2HD2 LEU 84 0.873 -15.244 -9.121 691 3HD2 LEU 84 3HD2 LEU 84 2.293 -14.382 -8.499 692 H ALA 85 H ALA 85 -0.578 -10.927 -10.406 693 HA ALA 85 HA ALA 85 -1.450 -12.312 -12.914 694 1HB ALA 85 1HB ALA 85 -1.165 -9.309 -12.504 695 2HB ALA 85 2HB ALA 85 -1.546 -10.138 -14.030 696 3HB ALA 85 3HB ALA 85 -2.696 -10.193 -12.678 697 H ASN 86 H ASN 86 0.560 -13.467 -12.271 698 HA ASN 86 HA ASN 86 2.675 -14.040 -12.651 699 1HB ASN 86 1HB ASN 86 2.226 -13.285 -14.954 700 2HB ASN 86 2HB ASN 86 2.819 -11.668 -14.555 701 1HD2 ASN 86 1HD2 ASN 86 4.345 -12.097 -16.372 702 2HD2 ASN 86 2HD2 ASN 86 5.821 -12.969 -16.010 703 H GLY 87 H GLY 87 2.940 -13.492 -10.386 704 1HA GLY 87 1HA GLY 87 4.266 -12.764 -8.692 705 2HA GLY 87 2HA GLY 87 5.409 -12.229 -9.929 706 H LYS 88 H LYS 88 2.090 -10.935 -9.600 707 HA LYS 88 HA LYS 88 2.899 -8.696 -7.969 708 1HB LYS 88 1HB LYS 88 2.369 -6.944 -9.594 709 2HB LYS 88 2HB LYS 88 3.793 -7.904 -10.056 710 1HG LYS 88 1HG LYS 88 2.632 -9.075 -11.730 711 2HG LYS 88 2HG LYS 88 1.051 -8.426 -11.231 712 1HD LYS 88 1HD LYS 88 1.727 -6.167 -11.840 713 2HD LYS 88 2HD LYS 88 3.352 -6.734 -12.286 714 1HE LYS 88 1HE LYS 88 2.411 -8.140 -14.068 715 2HE LYS 88 2HE LYS 88 0.761 -7.712 -13.578 716 1HZ LYS 88 1HZ LYS 88 1.233 -5.450 -14.158 717 2HZ LYS 88 2HZ LYS 88 2.769 -5.838 -14.614 718 3HZ LYS 88 3HZ LYS 88 1.484 -6.442 -15.450 719 H LEU 89 H LEU 89 1.205 -7.712 -6.995 720 HA LEU 89 HA LEU 89 -1.365 -9.102 -7.049 721 1HB LEU 89 1HB LEU 89 -0.285 -6.713 -5.495 722 2HB LEU 89 2HB LEU 89 -1.917 -7.363 -5.308 723 HG LEU 89 HG LEU 89 -1.020 -9.529 -4.543 724 1HD1 LEU 89 1HD1 LEU 89 1.427 -9.539 -3.789 725 2HD1 LEU 89 2HD1 LEU 89 1.177 -9.721 -5.521 726 3HD1 LEU 89 3HD1 LEU 89 1.669 -8.142 -4.856 727 1HD2 LEU 89 1HD2 LEU 89 0.072 -7.097 -3.058 728 2HD2 LEU 89 2HD2 LEU 89 -1.591 -7.722 -2.948 729 3HD2 LEU 89 3HD2 LEU 89 -0.230 -8.692 -2.351 730 H VAL 90 H VAL 90 -3.330 -8.212 -7.746 731 HA VAL 90 HA VAL 90 -3.370 -5.477 -8.869 732 HB VAL 90 HB VAL 90 -4.272 -7.992 -10.354 733 1HG1 VAL 90 1HG1 VAL 90 -4.439 -5.042 -11.121 734 2HG1 VAL 90 2HG1 VAL 90 -4.754 -6.396 -12.227 735 3HG1 VAL 90 3HG1 VAL 90 -5.804 -6.142 -10.831 736 1HG2 VAL 90 1HG2 VAL 90 -1.999 -6.061 -10.972 737 2HG2 VAL 90 2HG2 VAL 90 -1.846 -7.780 -10.543 738 3HG2 VAL 90 3HG2 VAL 90 -2.598 -7.318 -12.069 739 H THR 91 H THR 91 -5.289 -4.461 -8.499 740 HA THR 91 HA THR 91 -7.776 -5.949 -7.988 741 HB THR 91 HB THR 91 -8.335 -4.450 -6.068 742 HG1 THR 91 HG1 THR 91 -5.610 -3.723 -6.247 743 1HG2 THR 91 1HG2 THR 91 -5.827 -6.074 -5.554 744 2HG2 THR 91 2HG2 THR 91 -6.950 -5.451 -4.328 745 3HG2 THR 91 3HG2 THR 91 -7.522 -6.638 -5.516 746 H LYS 92 H LYS 92 -9.640 -4.404 -7.989 747 HA LYS 92 HA LYS 92 -9.110 -1.629 -8.615 748 1HB LYS 92 1HB LYS 92 -10.870 -3.363 -10.416 749 2HB LYS 92 2HB LYS 92 -11.021 -1.613 -10.269 750 1HG LYS 92 1HG LYS 92 -8.566 -1.427 -10.947 751 2HG LYS 92 2HG LYS 92 -8.651 -3.155 -11.365 752 1HD LYS 92 1HD LYS 92 -10.574 -2.637 -12.892 753 2HD LYS 92 2HD LYS 92 -10.393 -0.914 -12.497 754 1HE LYS 92 1HE LYS 92 -8.073 -0.954 -13.395 755 2HE LYS 92 2HE LYS 92 -8.267 -2.669 -13.805 756 1HZ LYS 92 1HZ LYS 92 -8.661 -1.286 -15.684 757 2HZ LYS 92 2HZ LYS 92 -10.062 -2.042 -15.262 758 3HZ LYS 92 3HZ LYS 92 -9.844 -0.449 -14.901 759 H SER 93 H SER 93 -10.564 -0.365 -7.574 760 HA SER 93 HA SER 93 -13.127 -1.539 -6.618 761 1HB SER 93 1HB SER 93 -11.473 -1.052 -4.745 762 2HB SER 93 2HB SER 93 -11.575 0.663 -5.195 763 HG SER 93 HG SER 93 -13.051 -0.043 -3.525 764 H GLU 94 H GLU 94 -14.112 1.048 -5.857 765 HA GLU 94 HA GLU 94 -15.230 1.795 -8.342 766 1HB GLU 94 1HB GLU 94 -16.290 2.003 -6.082 767 2HB GLU 94 2HB GLU 94 -15.256 3.403 -5.759 768 1HG GLU 94 1HG GLU 94 -16.249 4.519 -7.804 769 2HG GLU 94 2HG GLU 94 -17.280 3.106 -8.034 770 HE2 GLU 94 HE2 GLU 94 -19.551 3.981 -5.556 771 H LYS 95 H LYS 95 -12.857 3.531 -6.292 772 HA LYS 95 HA LYS 95 -11.827 4.982 -8.696 773 1HB LYS 95 1HB LYS 95 -12.302 6.102 -5.897 774 2HB LYS 95 2HB LYS 95 -11.309 6.865 -7.129 775 1HG LYS 95 1HG LYS 95 -13.171 7.989 -7.681 776 2HG LYS 95 2HG LYS 95 -13.518 6.544 -8.629 777 1HD LYS 95 1HD LYS 95 -15.512 6.919 -7.459 778 2HD LYS 95 2HD LYS 95 -14.717 5.684 -6.463 779 1HE LYS 95 1HE LYS 95 -13.849 7.522 -4.968 780 2HE LYS 95 2HE LYS 95 -14.730 8.697 -5.964 781 1HZ LYS 95 1HZ LYS 95 -16.752 7.546 -5.390 782 2HZ LYS 95 2HZ LYS 95 -15.928 6.485 -4.454 783 3HZ LYS 95 3HZ LYS 95 -15.973 8.083 -4.036 784 H PHE 96 H PHE 96 -11.180 3.175 -5.752 785 HA PHE 96 HA PHE 96 -8.328 3.872 -5.773 786 1HB PHE 96 1HB PHE 96 -9.832 3.706 -3.714 787 2HB PHE 96 2HB PHE 96 -9.831 1.967 -3.949 788 HD1 PHE 96 HD1 PHE 96 -7.668 0.670 -3.628 789 HD2 PHE 96 HD2 PHE 96 -7.925 4.911 -2.859 790 HE1 PHE 96 HE1 PHE 96 -5.712 0.531 -2.118 791 HE2 PHE 96 HE2 PHE 96 -5.947 4.764 -1.389 792 HZ PHE 96 HZ PHE 96 -4.841 2.577 -1.009 793 H SER 97 H SER 97 -6.686 2.330 -6.246 794 HA SER 97 HA SER 97 -7.434 -0.432 -6.918 795 1HB SER 97 1HB SER 97 -6.091 1.363 -8.988 796 2HB SER 97 2HB SER 97 -6.393 -0.377 -9.136 797 HG SER 97 HG SER 97 -7.982 0.934 -10.173 798 H HIS 98 H HIS 98 -5.928 -1.700 -6.102 799 HA HIS 98 HA HIS 98 -3.287 -0.591 -5.288 800 1HB HIS 98 1HB HIS 98 -4.654 -1.169 -3.423 801 2HB HIS 98 2HB HIS 98 -5.133 -2.705 -4.129 802 HD1 HIS 98 HD1 HIS 98 -3.129 -4.546 -4.421 803 HD2 HIS 98 HD2 HIS 98 -2.625 -1.395 -1.656 804 HE1 HIS 98 HE1 HIS 98 -1.421 -5.322 -2.673 805 HE2 HIS 98 HE2 HIS 98 -1.083 -3.409 -1.012 806 H GLU 99 H GLU 99 -1.717 -1.142 -6.639 807 HA GLU 99 HA GLU 99 -1.544 -3.905 -7.672 808 1HB GLU 99 1HB GLU 99 -2.564 -2.584 -9.447 809 2HB GLU 99 2HB GLU 99 -1.329 -1.325 -9.279 810 1HG GLU 99 1HG GLU 99 0.417 -2.888 -10.032 811 2HG GLU 99 2HG GLU 99 -0.766 -4.205 -10.106 812 HE2 GLU 99 HE2 GLU 99 -1.662 -3.392 -13.336 813 H GLN 100 H GLN 100 0.474 -4.724 -7.347 814 HA GLN 100 HA GLN 100 2.823 -3.019 -7.259 815 1HB GLN 100 1HB GLN 100 3.413 -3.529 -4.895 816 2HB GLN 100 2HB GLN 100 2.106 -2.382 -5.186 817 1HG GLN 100 1HG GLN 100 0.446 -4.261 -4.713 818 2HG GLN 100 2HG GLN 100 1.829 -5.265 -4.239 819 1HE2 GLN 100 1HE2 GLN 100 0.807 -1.833 -3.763 820 2HE2 GLN 100 2HE2 GLN 100 1.029 -1.814 -2.027 821 H GLU 101 H GLU 101 4.808 -4.129 -7.130 822 HA GLU 101 HA GLU 101 4.685 -7.074 -7.464 823 1HB GLU 101 1HB GLU 101 5.961 -6.956 -9.496 824 2HB GLU 101 2HB GLU 101 4.546 -5.895 -9.672 825 1HG GLU 101 1HG GLU 101 5.948 -3.935 -9.144 826 2HG GLU 101 2HG GLU 101 7.380 -4.986 -9.084 827 HE2 GLU 101 HE2 GLU 101 5.591 -4.227 -12.656 828 H VAL 102 H VAL 102 6.740 -8.134 -7.272 829 HA VAL 102 HA VAL 102 8.790 -6.644 -5.694 830 HB VAL 102 HB VAL 102 7.548 -9.357 -5.180 831 1HG1 VAL 102 1HG1 VAL 102 9.219 -9.581 -3.330 832 2HG1 VAL 102 2HG1 VAL 102 9.952 -9.701 -4.932 833 3HG1 VAL 102 3HG1 VAL 102 10.100 -8.191 -4.004 834 1HG2 VAL 102 1HG2 VAL 102 6.476 -7.293 -4.159 835 2HG2 VAL 102 2HG2 VAL 102 7.119 -8.428 -2.955 836 3HG2 VAL 102 3HG2 VAL 102 8.014 -6.957 -3.355 837 H LYS 103 H LYS 103 10.836 -7.019 -6.188 838 HA LYS 103 HA LYS 103 11.624 -9.325 -7.806 839 1HB LYS 103 1HB LYS 103 12.647 -6.477 -8.223 840 2HB LYS 103 2HB LYS 103 13.325 -7.914 -8.990 841 1HG LYS 103 1HG LYS 103 10.473 -6.916 -9.418 842 2HG LYS 103 2HG LYS 103 11.854 -6.549 -10.454 843 1HD LYS 103 1HD LYS 103 12.164 -8.940 -10.978 844 2HD LYS 103 2HD LYS 103 10.837 -9.373 -9.891 845 1HE LYS 103 1HE LYS 103 10.010 -9.404 -12.151 846 2HE LYS 103 2HE LYS 103 9.248 -8.068 -11.271 847 1HZ LYS 103 1HZ LYS 103 11.522 -7.830 -13.122 848 2HZ LYS 103 2HZ LYS 103 9.959 -7.434 -13.459 849 3HZ LYS 103 3HZ LYS 103 10.795 -6.580 -12.329 850 H GLY 104 H GLY 104 13.903 -9.775 -7.476 851 1HA GLY 104 1HA GLY 104 14.846 -10.746 -5.402 852 2HA GLY 104 2HA GLY 104 15.935 -9.636 -6.229 853 H ASN 105 H ASN 105 16.061 -7.414 -5.422 854 HA ASN 105 HA ASN 105 15.482 -7.156 -2.497 855 1HB ASN 105 1HB ASN 105 17.624 -6.083 -2.244 856 2HB ASN 105 2HB ASN 105 17.851 -7.682 -2.958 857 1HD2 ASN 105 1HD2 ASN 105 19.869 -5.739 -3.104 858 2HD2 ASN 105 2HD2 ASN 105 20.044 -5.232 -4.771 859 H GLU 106 H GLU 106 13.853 -6.209 -4.831 860 HA GLU 106 HA GLU 106 13.645 -3.443 -3.934 861 1HB GLU 106 1HB GLU 106 15.325 -3.324 -5.750 862 2HB GLU 106 2HB GLU 106 14.158 -4.043 -6.873 863 1HG GLU 106 1HG GLU 106 12.638 -2.121 -6.538 864 2HG GLU 106 2HG GLU 106 13.733 -1.442 -5.320 865 HE2 GLU 106 HE2 GLU 106 16.113 -0.354 -7.685 866 H MET 107 H MET 107 11.586 -3.259 -3.470 867 HA MET 107 HA MET 107 9.485 -4.624 -5.090 868 1HB MET 107 1HB MET 107 9.420 -5.218 -2.758 869 2HB MET 107 2HB MET 107 9.549 -3.533 -2.252 870 1HG MET 107 1HG MET 107 7.326 -3.044 -3.120 871 2HG MET 107 2HG MET 107 7.201 -4.673 -3.800 872 1HE MET 107 1HE MET 107 4.893 -5.094 -2.736 873 2HE MET 107 2HE MET 107 4.518 -4.869 -1.012 874 3HE MET 107 3HE MET 107 4.885 -3.459 -2.032 875 H VAL 108 H VAL 108 7.959 -3.326 -6.115 876 HA VAL 108 HA VAL 108 8.072 -0.404 -5.654 877 HB VAL 108 HB VAL 108 9.489 -0.898 -7.597 878 1HG1 VAL 108 1HG1 VAL 108 6.982 -1.904 -8.978 879 2HG1 VAL 108 2HG1 VAL 108 8.597 -1.720 -9.685 880 3HG1 VAL 108 3HG1 VAL 108 8.331 -2.931 -8.422 881 1HG2 VAL 108 1HG2 VAL 108 6.885 0.555 -8.252 882 2HG2 VAL 108 2HG2 VAL 108 8.320 1.251 -7.471 883 3HG2 VAL 108 3HG2 VAL 108 8.401 0.702 -9.154 884 H GLU 109 H GLU 109 6.112 0.585 -5.700 885 HA GLU 109 HA GLU 109 3.725 -1.096 -6.209 886 1HB GLU 109 1HB GLU 109 2.795 -0.470 -4.049 887 2HB GLU 109 2HB GLU 109 4.285 -1.410 -3.838 888 1HG GLU 109 1HG GLU 109 5.534 0.699 -3.400 889 2HG GLU 109 2HG GLU 109 4.032 1.623 -3.595 890 HE2 GLU 109 HE2 GLU 109 2.793 -0.270 -0.583 891 H THR 110 H THR 110 1.818 0.007 -6.577 892 HA THR 110 HA THR 110 1.886 2.945 -6.510 893 HB THR 110 HB THR 110 2.372 2.356 -8.838 894 HG1 THR 110 HG1 THR 110 0.956 4.103 -8.337 895 1HG2 THR 110 1HG2 THR 110 -0.202 0.731 -8.752 896 2HG2 THR 110 2HG2 THR 110 0.671 1.175 -10.228 897 3HG2 THR 110 3HG2 THR 110 1.447 0.122 -9.039 898 H ILE 111 H ILE 111 -0.194 3.879 -6.207 899 HA ILE 111 HA ILE 111 -2.437 2.059 -5.944 900 HB ILE 111 HB ILE 111 -2.729 3.794 -3.676 901 1HG1 ILE 111 1HG1 ILE 111 -0.297 1.987 -3.413 902 2HG1 ILE 111 2HG1 ILE 111 -0.241 3.756 -3.534 903 1HG2 ILE 111 1HG2 ILE 111 -3.188 1.681 -2.531 904 2HG2 ILE 111 2HG2 ILE 111 -3.930 1.686 -4.133 905 3HG2 ILE 111 3HG2 ILE 111 -2.416 0.784 -3.840 906 1HD1 ILE 111 1HD1 ILE 111 -1.716 3.873 -1.478 907 2HD1 ILE 111 2HD1 ILE 111 -1.414 2.133 -1.259 908 3HD1 ILE 111 3HD1 ILE 111 -0.064 3.273 -1.231 909 H THR 112 H THR 112 -4.325 2.985 -6.513 910 HA THR 112 HA THR 112 -4.188 5.743 -7.607 911 HB THR 112 HB THR 112 -6.257 3.571 -8.077 912 HG1 THR 112 HG1 THR 112 -5.030 3.270 -10.012 913 1HG2 THR 112 1HG2 THR 112 -7.088 5.769 -8.756 914 2HG2 THR 112 2HG2 THR 112 -5.565 6.118 -9.607 915 3HG2 THR 112 3HG2 THR 112 -6.651 4.841 -10.193 916 H PHE 113 H PHE 113 -5.887 7.234 -7.193 917 HA PHE 113 HA PHE 113 -7.991 6.633 -5.249 918 1HB PHE 113 1HB PHE 113 -6.180 7.327 -3.790 919 2HB PHE 113 2HB PHE 113 -5.846 8.737 -4.784 920 HD1 PHE 113 HD1 PHE 113 -6.541 10.776 -3.796 921 HD2 PHE 113 HD2 PHE 113 -8.826 7.198 -3.009 922 HE1 PHE 113 HE1 PHE 113 -7.907 12.010 -2.159 923 HE2 PHE 113 HE2 PHE 113 -10.186 8.448 -1.358 924 HZ PHE 113 HZ PHE 113 -9.714 10.850 -0.912 925 H GLY 114 H GLY 114 -8.764 6.690 -7.552 926 1HA GLY 114 1HA GLY 114 -10.030 7.644 -9.163 927 2HA GLY 114 2HA GLY 114 -10.302 9.008 -8.067 928 H GLY 115 H GLY 115 -9.532 10.939 -8.782 929 1HA GLY 115 1HA GLY 115 -7.831 11.110 -11.156 930 2HA GLY 115 2HA GLY 115 -8.602 12.431 -10.276 931 H VAL 116 H VAL 116 -6.829 10.277 -8.217 932 HA VAL 116 HA VAL 116 -4.316 11.853 -8.395 933 HB VAL 116 HB VAL 116 -5.773 10.951 -5.880 934 1HG1 VAL 116 1HG1 VAL 116 -3.121 12.414 -6.236 935 2HG1 VAL 116 2HG1 VAL 116 -3.990 12.246 -4.700 936 3HG1 VAL 116 3HG1 VAL 116 -3.370 10.808 -5.507 937 1HG2 VAL 116 1HG2 VAL 116 -5.950 13.365 -5.343 938 2HG2 VAL 116 2HG2 VAL 116 -5.271 13.767 -6.934 939 3HG2 VAL 116 3HG2 VAL 116 -6.852 12.962 -6.808 940 H THR 117 H THR 117 -2.460 10.584 -7.750 941 HA THR 117 HA THR 117 -2.819 7.643 -7.622 942 HB THR 117 HB THR 117 -0.942 9.109 -9.532 943 HG1 THR 117 HG1 THR 117 -2.347 8.333 -11.122 944 1HG2 THR 117 1HG2 THR 117 0.016 6.940 -8.972 945 2HG2 THR 117 2HG2 THR 117 -1.561 6.138 -9.179 946 3HG2 THR 117 3HG2 THR 117 -0.709 6.828 -10.576 947 H LEU 118 H LEU 118 -0.884 6.576 -6.776 948 HA LEU 118 HA LEU 118 1.198 8.305 -5.558 949 1HB LEU 118 1HB LEU 118 0.079 5.744 -4.359 950 2HB LEU 118 2HB LEU 118 1.400 6.726 -3.748 951 HG LEU 118 HG LEU 118 -0.398 8.588 -3.411 952 1HD1 LEU 118 1HD1 LEU 118 -2.653 7.531 -2.858 953 2HD1 LEU 118 2HD1 LEU 118 -2.324 7.563 -4.588 954 3HD1 LEU 118 3HD1 LEU 118 -2.117 6.063 -3.659 955 1HD2 LEU 118 1HD2 LEU 118 -0.254 5.982 -1.825 956 2HD2 LEU 118 2HD2 LEU 118 0.751 7.430 -1.597 957 3HD2 LEU 118 3HD2 LEU 118 -0.969 7.472 -1.204 958 H ILE 119 H ILE 119 3.266 7.466 -5.928 959 HA ILE 119 HA ILE 119 3.469 4.584 -6.546 960 HB ILE 119 HB ILE 119 5.224 4.851 -8.096 961 1HG1 ILE 119 1HG1 ILE 119 5.481 7.364 -9.051 962 2HG1 ILE 119 2HG1 ILE 119 5.140 7.748 -7.364 963 1HG2 ILE 119 1HG2 ILE 119 2.932 4.857 -8.984 964 2HG2 ILE 119 2HG2 ILE 119 2.933 6.635 -8.998 965 3HG2 ILE 119 3HG2 ILE 119 4.059 5.731 -10.026 966 1HD1 ILE 119 1HD1 ILE 119 7.343 5.914 -8.439 967 2HD1 ILE 119 2HD1 ILE 119 7.573 7.546 -7.789 968 3HD1 ILE 119 3HD1 ILE 119 7.084 6.228 -6.716 969 H ARG 120 H ARG 120 5.143 3.572 -5.453 970 HA ARG 120 HA ARG 120 7.116 5.201 -4.051 971 1HB ARG 120 1HB ARG 120 5.724 3.021 -2.504 972 2HB ARG 120 2HB ARG 120 6.863 4.241 -1.926 973 1HG ARG 120 1HG ARG 120 4.999 5.969 -2.504 974 2HG ARG 120 2HG ARG 120 3.928 4.559 -2.601 975 1HD ARG 120 1HD ARG 120 5.527 5.603 -0.235 976 2HD ARG 120 2HD ARG 120 3.764 5.476 -0.387 977 HE ARG 120 HE ARG 120 4.984 2.880 -0.633 978 1HH1 ARG 120 1HH1 ARG 120 4.257 5.340 1.818 979 2HH1 ARG 120 2HH1 ARG 120 4.179 4.184 3.121 980 1HH2 ARG 120 1HH2 ARG 120 4.968 1.414 1.045 981 2HH2 ARG 120 2HH2 ARG 120 4.662 1.917 2.694 982 H ARG 121 H ARG 121 8.911 3.898 -3.282 983 HA ARG 121 HA ARG 121 9.142 1.210 -4.452 984 1HB ARG 121 1HB ARG 121 9.954 2.859 -6.159 985 2HB ARG 121 2HB ARG 121 11.201 3.375 -5.009 986 1HG ARG 121 1HG ARG 121 12.147 1.120 -4.962 987 2HG ARG 121 2HG ARG 121 10.841 0.496 -5.973 988 1HD ARG 121 1HD ARG 121 12.711 2.711 -6.902 989 2HD ARG 121 2HD ARG 121 13.046 0.984 -7.131 990 HE ARG 121 HE ARG 121 10.420 1.599 -8.072 991 1HH1 ARG 121 1HH1 ARG 121 13.839 1.993 -8.958 992 2HH1 ARG 121 2HH1 ARG 121 13.525 1.965 -10.673 993 1HH2 ARG 121 1HH2 ARG 121 10.030 1.572 -10.329 994 2HH2 ARG 121 2HH2 ARG 121 11.355 1.724 -11.454 995 H SER 122 H SER 122 10.403 -0.127 -3.332 996 HA SER 122 HA SER 122 11.611 0.798 -0.793 997 1HB SER 122 1HB SER 122 9.755 -1.593 -1.180 998 2HB SER 122 2HB SER 122 10.405 -1.007 0.358 999 HG SER 122 HG SER 122 8.229 -0.367 -0.060 1000 H LYS 123 H LYS 123 12.975 -0.776 0.216 1001 HA LYS 123 HA LYS 123 14.201 -2.828 -1.599 1002 1HB LYS 123 1HB LYS 123 15.460 -0.757 0.223 1003 2HB LYS 123 2HB LYS 123 16.294 -2.277 -0.139 1004 1HG LYS 123 1HG LYS 123 16.370 -1.856 -2.466 1005 2HG LYS 123 2HG LYS 123 15.256 -0.483 -2.350 1006 1HD LYS 123 1HD LYS 123 16.871 0.888 -1.241 1007 2HD LYS 123 2HD LYS 123 17.900 -0.501 -0.857 1008 1HE LYS 123 1HE LYS 123 18.888 0.828 -2.662 1009 2HE LYS 123 2HE LYS 123 18.492 -0.812 -3.203 1010 1HZ LYS 123 1HZ LYS 123 17.866 0.835 -4.799 1011 2HZ LYS 123 2HZ LYS 123 16.523 0.068 -4.230 1012 3HZ LYS 123 3HZ LYS 123 16.886 1.596 -3.718 1013 H ARG 124 H ARG 124 14.857 -4.760 -0.584 1014 HA ARG 124 HA ARG 124 13.174 -5.603 1.520 1015 1HB ARG 124 1HB ARG 124 14.243 -6.991 -0.376 1016 2HB ARG 124 2HB ARG 124 15.704 -7.016 0.624 1017 1HG ARG 124 1HG ARG 124 14.194 -7.911 2.504 1018 2HG ARG 124 2HG ARG 124 12.928 -8.106 1.290 1019 1HD ARG 124 1HD ARG 124 15.695 -9.413 1.243 1020 2HD ARG 124 2HD ARG 124 14.210 -10.150 1.871 1021 HE ARG 124 HE ARG 124 14.025 -9.225 -0.905 1022 1HH1 ARG 124 1HH1 ARG 124 14.946 -11.961 1.185 1023 2HH1 ARG 124 2HH1 ARG 124 14.661 -13.154 -0.053 1024 1HH2 ARG 124 1HH2 ARG 124 13.727 -10.815 -2.519 1025 2HH2 ARG 124 2HH2 ARG 124 13.926 -12.512 -2.148 1026 H VAL 125 H VAL 125 13.646 -6.159 3.657 1027 HA VAL 125 HA VAL 125 16.266 -5.382 4.840 1028 HB VAL 125 HB VAL 125 13.486 -5.122 6.072 1029 1HG1 VAL 125 1HG1 VAL 125 15.122 -5.820 7.763 1030 2HG1 VAL 125 2HG1 VAL 125 16.254 -4.563 7.222 1031 3HG1 VAL 125 3HG1 VAL 125 14.721 -4.115 7.997 1032 1HG2 VAL 125 1HG2 VAL 125 14.025 -2.703 6.190 1033 2HG2 VAL 125 2HG2 VAL 125 15.513 -2.993 5.267 1034 3HG2 VAL 125 3HG2 VAL 125 13.925 -3.271 4.517
Contact the webmaster for help, if required. Tuesday, July 2, 2024 9:45:13 PM GMT (wattos1)