NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | in_recoord | in_dress | stage | position | program | type |
2367 | 1bsh | cing | recoord | dress | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ALA 1 1H ALA 1 -23.665 1.485 11.961 2 2H ALA 1 2H ALA 1 -25.186 1.266 11.236 3 3H ALA 1 3H ALA 1 -24.344 -0.067 11.868 4 HA ALA 1 HA ALA 1 -23.948 -0.280 9.620 5 1HB ALA 1 1HB ALA 1 -24.978 2.010 9.170 6 2HB ALA 1 2HB ALA 1 -23.375 2.687 9.460 7 3HB ALA 1 3HB ALA 1 -23.630 1.564 8.124 8 H MET 2 H MET 2 -21.927 -0.975 8.988 9 HA MET 2 HA MET 2 -19.530 0.453 9.970 10 1HB MET 2 1HB MET 2 -18.576 -1.565 10.987 11 2HB MET 2 2HB MET 2 -20.106 -1.166 11.768 12 1HG MET 2 1HG MET 2 -20.916 -2.776 9.681 13 2HG MET 2 2HG MET 2 -19.388 -3.516 10.157 14 1HE MET 2 1HE MET 2 -19.603 -5.288 10.937 15 2HE MET 2 2HE MET 2 -19.840 -5.575 12.659 16 3HE MET 2 3HE MET 2 -21.125 -5.973 11.522 17 H THR 3 H THR 3 -20.650 0.030 7.328 18 HA THR 3 HA THR 3 -18.286 -1.220 6.090 19 HB THR 3 HB THR 3 -19.676 -3.169 6.229 20 HG1 THR 3 HG1 THR 3 -18.771 -2.770 4.169 21 1HG2 THR 3 1HG2 THR 3 -21.758 -1.522 6.543 22 2HG2 THR 3 2HG2 THR 3 -21.973 -1.881 4.830 23 3HG2 THR 3 3HG2 THR 3 -21.968 -3.190 6.012 24 H TYR 4 H TYR 4 -18.156 -0.719 3.791 25 HA TYR 4 HA TYR 4 -20.100 1.121 2.609 26 1HB TYR 4 1HB TYR 4 -18.515 2.987 2.347 27 2HB TYR 4 2HB TYR 4 -18.794 2.652 4.055 28 HD1 TYR 4 HD1 TYR 4 -17.127 0.707 5.006 29 HD2 TYR 4 HD2 TYR 4 -16.307 3.344 1.716 30 HE1 TYR 4 HE1 TYR 4 -14.704 0.376 5.355 31 HE2 TYR 4 HE2 TYR 4 -13.872 3.008 2.052 32 HH TYR 4 HH TYR 4 -12.649 0.610 4.306 33 H HIS 5 H HIS 5 -19.058 1.901 0.396 34 HA HIS 5 HA HIS 5 -17.759 -0.516 -0.754 35 1HB HIS 5 1HB HIS 5 -19.649 0.006 -2.065 36 2HB HIS 5 2HB HIS 5 -19.386 1.744 -1.913 37 HD1 HIS 5 HD1 HIS 5 -19.092 2.320 -4.394 38 HD2 HIS 5 HD2 HIS 5 -16.559 -0.726 -3.116 39 HE1 HIS 5 HE1 HIS 5 -17.395 1.966 -6.244 40 H LEU 6 H LEU 6 -15.593 -0.405 -1.217 41 HA LEU 6 HA LEU 6 -14.458 2.330 -1.503 42 1HB LEU 6 1HB LEU 6 -12.516 1.760 -0.384 43 2HB LEU 6 2HB LEU 6 -13.695 0.780 0.484 44 HG LEU 6 HG LEU 6 -13.166 -1.008 -1.300 45 1HD1 LEU 6 1HD1 LEU 6 -11.187 1.096 -1.862 46 2HD1 LEU 6 2HD1 LEU 6 -10.484 -0.511 -1.684 47 3HD1 LEU 6 3HD1 LEU 6 -11.741 -0.226 -2.889 48 1HD2 LEU 6 1HD2 LEU 6 -11.690 -0.199 1.122 49 2HD2 LEU 6 2HD2 LEU 6 -12.399 -1.760 0.714 50 3HD2 LEU 6 3HD2 LEU 6 -10.816 -1.316 0.075 51 H ASP 7 H ASP 7 -12.612 2.488 -3.077 52 HA ASP 7 HA ASP 7 -12.473 0.274 -5.038 53 1HB ASP 7 1HB ASP 7 -14.257 2.398 -5.425 54 2HB ASP 7 2HB ASP 7 -12.866 2.795 -6.435 55 H VAL 8 H VAL 8 -10.217 0.179 -4.452 56 HA VAL 8 HA VAL 8 -8.619 2.618 -5.052 57 HB VAL 8 HB VAL 8 -8.000 1.683 -2.951 58 1HG1 VAL 8 1HG1 VAL 8 -8.142 -0.953 -4.420 59 2HG1 VAL 8 2HG1 VAL 8 -7.336 -0.795 -2.859 60 3HG1 VAL 8 3HG1 VAL 8 -9.059 -0.445 -3.002 61 1HG2 VAL 8 1HG2 VAL 8 -6.128 2.146 -4.672 62 2HG2 VAL 8 2HG2 VAL 8 -5.705 1.161 -3.272 63 3HG2 VAL 8 3HG2 VAL 8 -6.014 0.393 -4.829 64 H VAL 9 H VAL 9 -7.386 2.713 -6.888 65 HA VAL 9 HA VAL 9 -6.575 0.236 -8.263 66 HB VAL 9 HB VAL 9 -7.651 0.748 -10.351 67 1HG1 VAL 9 1HG1 VAL 9 -9.053 -0.368 -8.618 68 2HG1 VAL 9 2HG1 VAL 9 -9.656 1.213 -8.123 69 3HG1 VAL 9 3HG1 VAL 9 -10.012 0.599 -9.737 70 1HG2 VAL 9 1HG2 VAL 9 -7.686 3.401 -9.253 71 2HG2 VAL 9 2HG2 VAL 9 -8.047 2.895 -10.904 72 3HG2 VAL 9 3HG2 VAL 9 -9.333 2.953 -9.699 73 H SER 10 H SER 10 -5.238 0.894 -10.298 74 HA SER 10 HA SER 10 -3.977 3.565 -9.949 75 1HB SER 10 1HB SER 10 -2.651 0.895 -9.647 76 2HB SER 10 2HB SER 10 -1.737 2.217 -10.368 77 HG SER 10 HG SER 10 -1.511 2.155 -8.092 78 H ALA 11 H ALA 11 -5.367 3.722 -11.983 79 HA ALA 11 HA ALA 11 -5.451 3.894 -14.320 80 1HB ALA 11 1HB ALA 11 -3.029 4.643 -13.837 81 2HB ALA 11 2HB ALA 11 -2.561 3.022 -14.350 82 3HB ALA 11 3HB ALA 11 -3.392 4.097 -15.474 83 H GLU 12 H GLU 12 -6.776 2.188 -14.916 84 HA GLU 12 HA GLU 12 -7.363 0.066 -15.732 85 1HB GLU 12 1HB GLU 12 -4.437 0.028 -16.535 86 2HB GLU 12 2HB GLU 12 -5.711 -0.993 -17.204 87 1HG GLU 12 1HG GLU 12 -5.618 2.036 -17.353 88 2HG GLU 12 2HG GLU 12 -5.269 0.930 -18.683 89 H GLN 13 H GLN 13 -7.168 -0.146 -13.119 90 HA GLN 13 HA GLN 13 -5.832 -2.757 -12.725 91 1HB GLN 13 1HB GLN 13 -4.671 -0.370 -11.785 92 2HB GLN 13 2HB GLN 13 -5.428 -1.110 -10.374 93 1HG GLN 13 1HG GLN 13 -3.065 -1.877 -10.765 94 2HG GLN 13 2HG GLN 13 -4.243 -3.190 -10.755 95 1HE2 GLN 13 2HE2 GLN 13 -4.421 -4.457 -12.648 96 2HE2 GLN 13 1HE2 GLN 13 -3.592 -4.124 -14.091 97 H GLN 14 H GLN 14 -6.747 -3.935 -10.913 98 HA GLN 14 HA GLN 14 -9.182 -2.708 -9.709 99 1HB GLN 14 1HB GLN 14 -8.999 -5.240 -11.326 100 2HB GLN 14 2HB GLN 14 -10.214 -5.090 -10.056 101 1HG GLN 14 1HG GLN 14 -9.977 -2.777 -11.901 102 2HG GLN 14 2HG GLN 14 -10.630 -4.259 -12.601 103 1HE2 GLN 14 2HE2 GLN 14 -12.304 -5.361 -10.887 104 2HE2 GLN 14 1HE2 GLN 14 -13.453 -4.278 -10.263 105 H MET 15 H MET 15 -7.593 -2.600 -7.881 106 HA MET 15 HA MET 15 -6.690 -5.118 -6.705 107 1HB MET 15 1HB MET 15 -6.595 -2.227 -5.845 108 2HB MET 15 2HB MET 15 -6.105 -3.523 -4.754 109 1HG MET 15 1HG MET 15 -4.996 -3.334 -7.552 110 2HG MET 15 2HG MET 15 -4.269 -2.440 -6.218 111 1HE MET 15 1HE MET 15 -2.337 -3.131 -6.443 112 2HE MET 15 2HE MET 15 -1.793 -4.227 -5.165 113 3HE MET 15 3HE MET 15 -1.758 -4.745 -6.849 114 H PHE 16 H PHE 16 -8.799 -2.527 -5.391 115 HA PHE 16 HA PHE 16 -10.511 -4.678 -4.226 116 1HB PHE 16 1HB PHE 16 -8.899 -3.742 -2.515 117 2HB PHE 16 2HB PHE 16 -9.678 -2.178 -2.729 118 HD1 PHE 16 HD1 PHE 16 -12.229 -2.062 -2.407 119 HD2 PHE 16 HD2 PHE 16 -9.827 -5.326 -1.008 120 HE1 PHE 16 HE1 PHE 16 -14.037 -2.705 -0.870 121 HE2 PHE 16 HE2 PHE 16 -11.639 -5.989 0.543 122 HZ PHE 16 HZ PHE 16 -13.750 -4.681 0.614 123 H SER 17 H SER 17 -12.584 -4.345 -4.874 124 HA SER 17 HA SER 17 -13.680 -1.614 -4.886 125 1HB SER 17 1HB SER 17 -14.639 -2.285 -7.289 126 2HB SER 17 2HB SER 17 -13.112 -1.430 -7.110 127 HG SER 17 HG SER 17 -12.045 -3.413 -7.252 128 H GLY 18 H GLY 18 -15.305 -2.124 -3.472 129 1HA GLY 18 1HA GLY 18 -17.716 -3.227 -4.164 130 2HA GLY 18 2HA GLY 18 -16.782 -4.643 -3.672 131 H LEU 19 H LEU 19 -18.480 -4.724 -1.900 132 HA LEU 19 HA LEU 19 -18.721 -2.707 0.074 133 1HB LEU 19 1HB LEU 19 -18.892 -5.713 0.447 134 2HB LEU 19 2HB LEU 19 -19.536 -4.498 1.554 135 HG LEU 19 HG LEU 19 -20.471 -5.203 -1.222 136 1HD1 LEU 19 1HD1 LEU 19 -21.476 -6.164 0.908 137 2HD1 LEU 19 2HD1 LEU 19 -22.026 -4.531 1.285 138 3HD1 LEU 19 3HD1 LEU 19 -22.614 -5.347 -0.164 139 1HD2 LEU 19 1HD2 LEU 19 -20.062 -2.749 -1.215 140 2HD2 LEU 19 2HD2 LEU 19 -21.791 -3.115 -1.263 141 3HD2 LEU 19 3HD2 LEU 19 -21.038 -2.603 0.249 142 H VAL 20 H VAL 20 -17.691 -2.585 2.209 143 HA VAL 20 HA VAL 20 -15.274 -4.098 2.727 144 HB VAL 20 HB VAL 20 -14.034 -2.903 1.217 145 1HG1 VAL 20 1HG1 VAL 20 -16.105 -1.706 0.401 146 2HG1 VAL 20 2HG1 VAL 20 -15.726 -0.438 1.562 147 3HG1 VAL 20 3HG1 VAL 20 -14.601 -0.808 0.259 148 1HG2 VAL 20 1HG2 VAL 20 -14.227 -0.975 3.533 149 2HG2 VAL 20 2HG2 VAL 20 -12.955 -2.163 3.207 150 3HG2 VAL 20 3HG2 VAL 20 -13.126 -0.744 2.174 151 H GLU 21 H GLU 21 -15.350 -4.212 4.897 152 HA GLU 21 HA GLU 21 -16.790 -2.335 6.533 153 1HB GLU 21 1HB GLU 21 -15.159 -4.756 6.938 154 2HB GLU 21 2HB GLU 21 -15.053 -3.596 8.262 155 1HG GLU 21 1HG GLU 21 -17.342 -3.717 8.729 156 2HG GLU 21 2HG GLU 21 -17.738 -4.311 7.115 157 H LYS 22 H LYS 22 -13.290 -2.864 5.968 158 HA LYS 22 HA LYS 22 -12.726 -0.049 6.157 159 1HB LYS 22 1HB LYS 22 -13.069 -0.184 8.497 160 2HB LYS 22 2HB LYS 22 -12.282 -1.758 8.605 161 1HG LYS 22 1HG LYS 22 -10.118 -0.760 8.098 162 2HG LYS 22 2HG LYS 22 -10.870 0.816 7.849 163 1HD LYS 22 1HD LYS 22 -10.955 1.242 10.070 164 2HD LYS 22 2HD LYS 22 -11.567 -0.372 10.433 165 1HE LYS 22 1HE LYS 22 -9.360 -1.308 10.421 166 2HE LYS 22 2HE LYS 22 -8.671 0.163 9.736 167 1HZ LYS 22 1HZ LYS 22 -10.131 0.482 12.224 168 2HZ LYS 22 2HZ LYS 22 -8.675 -0.380 12.335 169 3HZ LYS 22 3HZ LYS 22 -8.679 1.201 11.714 170 H ILE 23 H ILE 23 -10.606 0.377 5.478 171 HA ILE 23 HA ILE 23 -9.054 -2.012 4.596 172 HB ILE 23 HB ILE 23 -7.857 -0.459 3.139 173 1HG1 ILE 23 1HG1 ILE 23 -9.571 1.730 4.334 174 2HG1 ILE 23 2HG1 ILE 23 -7.904 1.435 4.819 175 1HG2 ILE 23 1HG2 ILE 23 -10.821 -0.556 3.185 176 2HG2 ILE 23 2HG2 ILE 23 -10.112 0.684 2.151 177 3HG2 ILE 23 3HG2 ILE 23 -9.700 -1.012 1.904 178 1HD1 ILE 23 1HD1 ILE 23 -7.176 1.761 2.474 179 2HD1 ILE 23 2HD1 ILE 23 -8.844 2.098 2.013 180 3HD1 ILE 23 3HD1 ILE 23 -7.993 3.192 3.102 181 H GLN 24 H GLN 24 -6.614 -0.202 4.522 182 HA GLN 24 HA GLN 24 -6.037 0.662 7.197 183 1HB GLN 24 1HB GLN 24 -5.871 -2.169 6.761 184 2HB GLN 24 2HB GLN 24 -4.241 -1.542 7.006 185 1HG GLN 24 1HG GLN 24 -6.160 -0.347 8.851 186 2HG GLN 24 2HG GLN 24 -6.096 -2.102 9.009 187 1HE2 GLN 24 2HE2 GLN 24 -3.590 0.418 8.335 188 2HE2 GLN 24 1HE2 GLN 24 -2.527 -0.114 9.546 189 H VAL 25 H VAL 25 -4.379 2.086 6.956 190 HA VAL 25 HA VAL 25 -2.527 1.647 4.648 191 HB VAL 25 HB VAL 25 -3.185 4.311 5.924 192 1HG1 VAL 25 1HG1 VAL 25 -1.119 3.613 4.293 193 2HG1 VAL 25 2HG1 VAL 25 -2.340 4.050 3.098 194 3HG1 VAL 25 3HG1 VAL 25 -1.842 5.221 4.319 195 1HG2 VAL 25 1HG2 VAL 25 -4.946 2.712 4.443 196 2HG2 VAL 25 2HG2 VAL 25 -5.094 4.448 4.720 197 3HG2 VAL 25 3HG2 VAL 25 -4.291 3.852 3.267 198 H THR 26 H THR 26 -0.374 1.537 5.134 199 HA THR 26 HA THR 26 0.467 2.381 7.875 200 HB THR 26 HB THR 26 1.224 -0.148 6.386 201 HG1 THR 26 HG1 THR 26 0.112 -1.126 7.949 202 1HG2 THR 26 1HG2 THR 26 2.442 1.231 8.767 203 2HG2 THR 26 2HG2 THR 26 2.523 -0.523 8.609 204 3HG2 THR 26 3HG2 THR 26 3.249 0.507 7.376 205 H GLY 27 H GLY 27 1.386 4.313 7.061 206 1HA GLY 27 1HA GLY 27 3.829 3.881 5.389 207 2HA GLY 27 2HA GLY 27 2.754 5.248 5.091 208 H SER 28 H SER 28 5.387 5.791 5.669 209 HA SER 28 HA SER 28 6.242 6.076 8.294 210 1HB SER 28 1HB SER 28 7.808 6.947 6.850 211 2HB SER 28 2HB SER 28 6.594 7.701 5.820 212 HG SER 28 HG SER 28 7.059 8.586 8.461 213 H GLU 29 H GLU 29 4.130 8.384 6.543 214 HA GLU 29 HA GLU 29 3.297 9.434 9.218 215 1HB GLU 29 1HB GLU 29 4.438 10.940 7.358 216 2HB GLU 29 2HB GLU 29 2.808 10.957 6.683 217 1HG GLU 29 1HG GLU 29 2.926 11.419 9.595 218 2HG GLU 29 2HG GLU 29 3.688 12.679 8.623 219 H GLY 30 H GLY 30 1.506 8.151 9.638 220 1HA GLY 30 1HA GLY 30 -1.021 8.542 9.098 221 2HA GLY 30 2HA GLY 30 -0.568 7.927 7.507 222 H GLU 31 H GLU 31 -2.308 6.811 9.803 223 HA GLU 31 HA GLU 31 -1.271 4.061 9.549 224 1HB GLU 31 1HB GLU 31 -1.497 5.534 12.171 225 2HB GLU 31 2HB GLU 31 -1.605 3.775 12.095 226 1HG GLU 31 1HG GLU 31 0.592 3.888 10.741 227 2HG GLU 31 2HG GLU 31 0.722 5.542 11.342 228 H LEU 32 H LEU 32 -3.704 5.666 8.754 229 HA LEU 32 HA LEU 32 -5.729 3.912 10.099 230 1HB LEU 32 1HB LEU 32 -5.802 6.813 9.414 231 2HB LEU 32 2HB LEU 32 -7.292 5.892 9.157 232 HG LEU 32 HG LEU 32 -5.723 5.774 11.748 233 1HD1 LEU 32 1HD1 LEU 32 -7.784 7.731 10.780 234 2HD1 LEU 32 2HD1 LEU 32 -7.774 7.264 12.481 235 3HD1 LEU 32 3HD1 LEU 32 -6.349 8.018 11.765 236 1HD2 LEU 32 1HD2 LEU 32 -7.330 3.935 11.215 237 2HD2 LEU 32 2HD2 LEU 32 -7.826 4.877 12.621 238 3HD2 LEU 32 3HD2 LEU 32 -8.612 5.136 11.064 239 H GLY 33 H GLY 33 -7.379 3.065 8.732 240 1HA GLY 33 1HA GLY 33 -6.586 2.996 5.869 241 2HA GLY 33 2HA GLY 33 -7.631 1.813 6.660 242 H ILE 34 H ILE 34 -9.776 2.064 6.256 243 HA ILE 34 HA ILE 34 -10.873 4.787 6.047 244 HB ILE 34 HB ILE 34 -10.944 2.807 3.762 245 1HG1 ILE 34 1HG1 ILE 34 -9.089 4.480 3.899 246 2HG1 ILE 34 2HG1 ILE 34 -10.139 4.751 2.504 247 1HG2 ILE 34 1HG2 ILE 34 -13.243 3.708 4.341 248 2HG2 ILE 34 2HG2 ILE 34 -12.605 5.324 4.057 249 3HG2 ILE 34 3HG2 ILE 34 -12.664 4.159 2.739 250 1HD1 ILE 34 1HD1 ILE 34 -11.471 6.333 4.043 251 2HD1 ILE 34 2HD1 ILE 34 -10.063 6.270 5.113 252 3HD1 ILE 34 3HD1 ILE 34 -9.899 6.899 3.471 253 H TYR 35 H TYR 35 -13.147 4.828 6.329 254 HA TYR 35 HA TYR 35 -14.530 2.288 6.902 255 1HB TYR 35 1HB TYR 35 -15.204 3.688 9.155 256 2HB TYR 35 2HB TYR 35 -13.959 2.446 9.113 257 HD1 TYR 35 HD1 TYR 35 -11.529 3.210 8.550 258 HD2 TYR 35 HD2 TYR 35 -14.667 5.910 9.716 259 HE1 TYR 35 HE1 TYR 35 -9.836 4.917 9.130 260 HE2 TYR 35 HE2 TYR 35 -12.967 7.617 10.307 261 HH TYR 35 HH TYR 35 -9.493 7.013 9.794 262 HA PRO 36 HA PRO 36 -18.019 4.604 5.632 263 1HB PRO 36 1HB PRO 36 -19.990 3.832 7.397 264 2HB PRO 36 2HB PRO 36 -19.387 2.811 6.080 265 1HG PRO 36 1HG PRO 36 -18.819 2.634 9.009 266 2HG PRO 36 2HG PRO 36 -18.843 1.348 7.790 267 1HD PRO 36 1HD PRO 36 -16.528 2.536 8.833 268 2HD PRO 36 2HD PRO 36 -16.605 1.596 7.330 269 H GLY 37 H GLY 37 -16.891 6.620 6.396 270 1HA GLY 37 1HA GLY 37 -18.228 8.654 7.368 271 2HA GLY 37 2HA GLY 37 -18.038 7.775 8.886 272 H HIS 38 H HIS 38 -15.611 7.944 6.301 273 HA HIS 38 HA HIS 38 -13.655 8.939 8.264 274 1HB HIS 38 1HB HIS 38 -12.991 7.149 6.722 275 2HB HIS 38 2HB HIS 38 -13.365 8.180 5.341 276 HD1 HIS 38 HD1 HIS 38 -11.078 8.648 4.393 277 HD2 HIS 38 HD2 HIS 38 -11.231 9.285 8.510 278 HE1 HIS 38 HE1 HIS 38 -8.860 9.685 5.039 279 H ALA 39 H ALA 39 -15.864 10.717 7.294 280 HA ALA 39 HA ALA 39 -16.105 12.954 6.639 281 1HB ALA 39 1HB ALA 39 -14.238 13.189 8.319 282 2HB ALA 39 2HB ALA 39 -13.096 13.071 6.980 283 3HB ALA 39 3HB ALA 39 -14.229 14.421 7.057 284 HA PRO 40 HA PRO 40 -15.189 13.091 2.347 285 1HB PRO 40 1HB PRO 40 -15.561 15.775 1.890 286 2HB PRO 40 2HB PRO 40 -16.891 14.639 2.175 287 1HG PRO 40 1HG PRO 40 -15.753 16.694 4.012 288 2HG PRO 40 2HG PRO 40 -17.384 16.003 3.973 289 1HD PRO 40 1HD PRO 40 -15.321 15.294 5.781 290 2HD PRO 40 2HD PRO 40 -16.836 14.403 5.520 291 H LEU 41 H LEU 41 -12.810 12.629 2.825 292 HA LEU 41 HA LEU 41 -11.095 15.054 2.632 293 1HB LEU 41 1HB LEU 41 -10.270 12.175 3.105 294 2HB LEU 41 2HB LEU 41 -9.258 13.609 3.288 295 HG LEU 41 HG LEU 41 -11.674 12.845 4.947 296 1HD1 LEU 41 1HD1 LEU 41 -9.475 11.798 5.509 297 2HD1 LEU 41 2HD1 LEU 41 -8.791 13.413 5.702 298 3HD1 LEU 41 3HD1 LEU 41 -10.069 12.861 6.785 299 1HD2 LEU 41 1HD2 LEU 41 -10.397 15.465 4.418 300 2HD2 LEU 41 2HD2 LEU 41 -12.017 15.103 5.015 301 3HD2 LEU 41 3HD2 LEU 41 -10.645 15.085 6.123 302 H LEU 42 H LEU 42 -9.059 14.625 1.184 303 HA LEU 42 HA LEU 42 -9.333 12.847 -1.067 304 1HB LEU 42 1HB LEU 42 -9.533 14.926 -2.694 305 2HB LEU 42 2HB LEU 42 -10.981 14.166 -2.038 306 HG LEU 42 HG LEU 42 -10.718 15.881 -0.089 307 1HD1 LEU 42 1HD1 LEU 42 -9.085 17.190 -2.285 308 2HD1 LEU 42 2HD1 LEU 42 -9.627 17.987 -0.808 309 3HD1 LEU 42 3HD1 LEU 42 -8.471 16.658 -0.719 310 1HD2 LEU 42 1HD2 LEU 42 -12.398 15.810 -2.083 311 2HD2 LEU 42 2HD2 LEU 42 -12.217 17.320 -1.189 312 3HD2 LEU 42 3HD2 LEU 42 -11.415 17.116 -2.747 313 H THR 43 H THR 43 -7.186 13.056 0.441 314 HA THR 43 HA THR 43 -5.310 14.870 -1.021 315 HB THR 43 HB THR 43 -3.900 14.802 0.984 316 HG1 THR 43 HG1 THR 43 -4.613 13.660 2.788 317 1HG2 THR 43 1HG2 THR 43 -6.792 15.551 1.239 318 2HG2 THR 43 2HG2 THR 43 -5.741 15.689 2.649 319 3HG2 THR 43 3HG2 THR 43 -5.370 16.592 1.181 320 H ALA 44 H ALA 44 -3.191 13.118 0.511 321 HA ALA 44 HA ALA 44 -3.098 11.026 -1.610 322 1HB ALA 44 1HB ALA 44 -1.163 12.618 -1.398 323 2HB ALA 44 2HB ALA 44 -0.870 11.972 0.217 324 3HB ALA 44 3HB ALA 44 -0.708 10.926 -1.194 325 H ILE 45 H ILE 45 -2.194 8.875 -0.876 326 HA ILE 45 HA ILE 45 -3.239 8.248 1.845 327 HB ILE 45 HB ILE 45 -2.807 6.371 -0.495 328 1HG1 ILE 45 1HG1 ILE 45 -5.555 6.721 0.301 329 2HG1 ILE 45 2HG1 ILE 45 -4.847 8.297 -0.056 330 1HG2 ILE 45 1HG2 ILE 45 -3.188 5.904 2.283 331 2HG2 ILE 45 2HG2 ILE 45 -4.698 5.480 1.476 332 3HG2 ILE 45 3HG2 ILE 45 -3.188 4.716 0.979 333 1HD1 ILE 45 1HD1 ILE 45 -4.420 5.965 -1.917 334 2HD1 ILE 45 2HD1 ILE 45 -5.884 6.943 -2.021 335 3HD1 ILE 45 3HD1 ILE 45 -4.305 7.690 -2.266 336 H LYS 46 H LYS 46 -0.443 9.021 0.599 337 HA LYS 46 HA LYS 46 1.799 8.543 1.101 338 1HB LYS 46 1HB LYS 46 0.591 7.139 3.501 339 2HB LYS 46 2HB LYS 46 2.231 7.775 3.361 340 1HG LYS 46 1HG LYS 46 0.223 9.796 2.732 341 2HG LYS 46 2HG LYS 46 0.023 9.153 4.362 342 1HD LYS 46 1HD LYS 46 1.709 10.501 5.008 343 2HD LYS 46 2HD LYS 46 2.792 9.492 4.050 344 1HE LYS 46 1HE LYS 46 1.420 11.226 2.251 345 2HE LYS 46 2HE LYS 46 2.032 12.211 3.579 346 1HZ LYS 46 1HZ LYS 46 4.192 10.966 3.247 347 2HZ LYS 46 2HZ LYS 46 3.548 10.428 1.770 348 3HZ LYS 46 3HZ LYS 46 3.772 12.088 2.041 349 HA PRO 47 HA PRO 47 2.670 4.472 -0.307 350 1HB PRO 47 1HB PRO 47 5.310 4.304 0.440 351 2HB PRO 47 2HB PRO 47 4.742 5.285 -0.922 352 1HG PRO 47 1HG PRO 47 5.654 6.170 1.773 353 2HG PRO 47 2HG PRO 47 5.665 7.054 0.238 354 1HD PRO 47 1HD PRO 47 3.781 7.375 2.337 355 2HD PRO 47 2HD PRO 47 3.642 8.029 0.691 356 H GLY 48 H GLY 48 4.056 2.419 0.635 357 1HA GLY 48 1HA GLY 48 4.659 1.299 2.793 358 2HA GLY 48 2HA GLY 48 3.257 2.099 3.503 359 H MET 49 H MET 49 2.584 -0.126 4.105 360 HA MET 49 HA MET 49 1.552 -1.723 1.805 361 1HB MET 49 1HB MET 49 1.281 -3.541 3.466 362 2HB MET 49 2HB MET 49 2.943 -2.950 3.424 363 1HG MET 49 1HG MET 49 2.711 -1.780 5.453 364 2HG MET 49 2HG MET 49 0.950 -1.786 5.360 365 1HE MET 49 1HE MET 49 -0.569 -3.521 6.103 366 2HE MET 49 2HE MET 49 -0.040 -4.494 4.723 367 3HE MET 49 3HE MET 49 -0.182 -5.227 6.319 368 H ILE 50 H ILE 50 -0.639 -2.936 2.605 369 HA ILE 50 HA ILE 50 -2.349 -1.074 4.117 370 HB ILE 50 HB ILE 50 -2.481 -0.195 1.847 371 1HG1 ILE 50 1HG1 ILE 50 -5.030 -1.346 1.541 372 2HG1 ILE 50 2HG1 ILE 50 -4.717 -1.361 3.279 373 1HG2 ILE 50 1HG2 ILE 50 -2.407 -3.021 1.220 374 2HG2 ILE 50 2HG2 ILE 50 -3.763 -2.237 0.410 375 3HG2 ILE 50 3HG2 ILE 50 -2.121 -1.642 0.159 376 1HD1 ILE 50 1HD1 ILE 50 -3.799 1.098 2.695 377 2HD1 ILE 50 2HD1 ILE 50 -5.019 0.945 1.431 378 3HD1 ILE 50 3HD1 ILE 50 -5.482 0.793 3.126 379 H ARG 51 H ARG 51 -4.025 -2.126 5.132 380 HA ARG 51 HA ARG 51 -4.449 -5.009 4.437 381 1HB ARG 51 1HB ARG 51 -3.340 -4.755 6.631 382 2HB ARG 51 2HB ARG 51 -4.628 -3.672 7.160 383 1HG ARG 51 1HG ARG 51 -6.278 -5.494 6.817 384 2HG ARG 51 2HG ARG 51 -4.964 -6.577 6.355 385 1HD ARG 51 1HD ARG 51 -4.018 -6.540 8.527 386 2HD ARG 51 2HD ARG 51 -4.946 -5.114 8.995 387 HE ARG 51 HE ARG 51 -6.751 -7.236 8.338 388 1HH1 ARG 51 1HH1 ARG 51 -4.203 -6.657 10.566 389 2HH1 ARG 51 2HH1 ARG 51 -5.053 -7.320 11.922 390 1HH2 ARG 51 1HH2 ARG 51 -7.966 -7.922 10.139 391 2HH2 ARG 51 2HH2 ARG 51 -7.183 -8.037 11.680 392 H ILE 52 H ILE 52 -6.740 -5.745 4.920 393 HA ILE 52 HA ILE 52 -8.727 -3.612 5.275 394 HB ILE 52 HB ILE 52 -8.706 -5.186 2.703 395 1HG1 ILE 52 1HG1 ILE 52 -7.922 -2.304 3.172 396 2HG1 ILE 52 2HG1 ILE 52 -6.827 -3.607 2.714 397 1HG2 ILE 52 1HG2 ILE 52 -10.417 -2.935 3.749 398 2HG2 ILE 52 2HG2 ILE 52 -10.391 -3.417 2.051 399 3HG2 ILE 52 3HG2 ILE 52 -10.931 -4.556 3.284 400 1HD1 ILE 52 1HD1 ILE 52 -9.048 -3.612 0.904 401 2HD1 ILE 52 2HD1 ILE 52 -8.397 -1.974 0.993 402 3HD1 ILE 52 3HD1 ILE 52 -7.344 -3.317 0.550 403 H VAL 53 H VAL 53 -10.970 -4.506 5.145 404 HA VAL 53 HA VAL 53 -11.185 -7.417 5.619 405 HB VAL 53 HB VAL 53 -11.974 -5.222 7.549 406 1HG1 VAL 53 1HG1 VAL 53 -13.180 -7.924 7.099 407 2HG1 VAL 53 2HG1 VAL 53 -13.012 -7.345 8.757 408 3HG1 VAL 53 3HG1 VAL 53 -13.956 -6.419 7.589 409 1HG2 VAL 53 1HG2 VAL 53 -10.010 -7.391 7.439 410 2HG2 VAL 53 2HG2 VAL 53 -10.062 -5.978 8.493 411 3HG2 VAL 53 3HG2 VAL 53 -10.978 -7.425 8.913 412 H LYS 54 H LYS 54 -12.571 -7.848 3.943 413 HA LYS 54 HA LYS 54 -14.466 -5.949 2.910 414 1HB LYS 54 1HB LYS 54 -13.414 -8.022 1.755 415 2HB LYS 54 2HB LYS 54 -14.712 -8.927 2.533 416 1HG LYS 54 1HG LYS 54 -16.378 -7.860 1.311 417 2HG LYS 54 2HG LYS 54 -15.391 -6.426 1.027 418 1HD LYS 54 1HD LYS 54 -14.163 -7.451 -0.688 419 2HD LYS 54 2HD LYS 54 -14.571 -9.077 -0.138 420 1HE LYS 54 1HE LYS 54 -16.780 -7.255 -1.025 421 2HE LYS 54 2HE LYS 54 -15.786 -8.047 -2.248 422 1HZ LYS 54 1HZ LYS 54 -16.476 -9.908 -0.254 423 2HZ LYS 54 2HZ LYS 54 -17.890 -9.137 -0.795 424 3HZ LYS 54 3HZ LYS 54 -16.874 -9.927 -1.903 425 H GLN 55 H GLN 55 -16.748 -5.940 3.094 426 HA GLN 55 HA GLN 55 -17.844 -6.347 5.660 427 1HB GLN 55 1HB GLN 55 -18.819 -4.982 3.739 428 2HB GLN 55 2HB GLN 55 -19.432 -6.502 3.087 429 1HG GLN 55 1HG GLN 55 -20.094 -6.421 5.861 430 2HG GLN 55 2HG GLN 55 -20.571 -4.880 5.148 431 1HE2 GLN 55 2HE2 GLN 55 -22.801 -6.050 5.734 432 2HE2 GLN 55 1HE2 GLN 55 -23.491 -6.952 4.472 433 H HIS 56 H HIS 56 -18.239 -8.434 2.768 434 HA HIS 56 HA HIS 56 -19.129 -10.614 4.601 435 1HB HIS 56 1HB HIS 56 -19.813 -9.823 1.852 436 2HB HIS 56 2HB HIS 56 -19.514 -11.551 2.037 437 HD1 HIS 56 HD1 HIS 56 -22.373 -10.764 1.486 438 HD2 HIS 56 HD2 HIS 56 -20.833 -10.970 5.354 439 HE1 HIS 56 HE1 HIS 56 -24.358 -11.058 3.031 440 H GLY 57 H GLY 57 -16.299 -9.569 3.485 441 1HA GLY 57 1HA GLY 57 -15.311 -12.282 2.714 442 2HA GLY 57 2HA GLY 57 -14.494 -10.772 2.308 443 H HIS 58 H HIS 58 -12.835 -12.462 3.465 444 HA HIS 58 HA HIS 58 -12.920 -12.238 6.395 445 1HB HIS 58 1HB HIS 58 -11.544 -13.874 4.451 446 2HB HIS 58 2HB HIS 58 -10.382 -13.169 5.576 447 HD1 HIS 58 HD1 HIS 58 -11.448 -13.287 8.235 448 HD2 HIS 58 HD2 HIS 58 -12.545 -16.221 5.483 449 HE1 HIS 58 HE1 HIS 58 -12.289 -15.258 9.585 450 H GLU 59 H GLU 59 -10.131 -11.594 4.257 451 HA GLU 59 HA GLU 59 -9.976 -8.793 4.756 452 1HB GLU 59 1HB GLU 59 -8.259 -8.696 6.488 453 2HB GLU 59 2HB GLU 59 -9.663 -9.564 7.110 454 1HG GLU 59 1HG GLU 59 -8.537 -11.717 6.480 455 2HG GLU 59 2HG GLU 59 -7.101 -10.788 6.048 456 H GLU 60 H GLU 60 -8.339 -7.913 3.505 457 HA GLU 60 HA GLU 60 -6.197 -9.738 2.530 458 1HB GLU 60 1HB GLU 60 -6.572 -8.583 0.233 459 2HB GLU 60 2HB GLU 60 -7.690 -9.863 0.704 460 1HG GLU 60 1HG GLU 60 -8.381 -7.093 1.553 461 2HG GLU 60 2HG GLU 60 -8.547 -7.469 -0.162 462 H PHE 61 H PHE 61 -4.312 -8.535 1.710 463 HA PHE 61 HA PHE 61 -4.289 -5.677 2.587 464 1HB PHE 61 1HB PHE 61 -1.809 -6.206 3.178 465 2HB PHE 61 2HB PHE 61 -3.067 -6.736 4.295 466 HD1 PHE 61 HD1 PHE 61 -0.896 -7.846 1.488 467 HD2 PHE 61 HD2 PHE 61 -3.425 -9.046 4.745 468 HE1 PHE 61 HE1 PHE 61 -0.159 -10.198 1.194 469 HE2 PHE 61 HE2 PHE 61 -2.689 -11.397 4.451 470 HZ PHE 61 HZ PHE 61 -1.056 -11.972 2.676 471 H ILE 62 H ILE 62 -3.653 -4.339 0.983 472 HA ILE 62 HA ILE 62 -2.315 -5.520 -1.403 473 HB ILE 62 HB ILE 62 -3.219 -2.679 -1.394 474 1HG1 ILE 62 1HG1 ILE 62 -5.110 -5.053 -1.344 475 2HG1 ILE 62 2HG1 ILE 62 -5.066 -3.716 -0.194 476 1HG2 ILE 62 1HG2 ILE 62 -2.306 -4.397 -3.292 477 2HG2 ILE 62 2HG2 ILE 62 -4.045 -4.643 -3.455 478 3HG2 ILE 62 3HG2 ILE 62 -3.361 -3.029 -3.648 479 1HD1 ILE 62 1HD1 ILE 62 -5.279 -2.713 -2.904 480 2HD1 ILE 62 2HD1 ILE 62 -6.581 -3.853 -2.561 481 3HD1 ILE 62 3HD1 ILE 62 -6.352 -2.439 -1.531 482 H TYR 63 H TYR 63 -1.409 -2.741 -2.149 483 HA TYR 63 HA TYR 63 0.404 -1.757 -0.170 484 1HB TYR 63 1HB TYR 63 1.831 -3.567 -0.269 485 2HB TYR 63 2HB TYR 63 1.347 -3.994 -1.907 486 HD1 TYR 63 HD1 TYR 63 2.169 -2.573 -3.836 487 HD2 TYR 63 HD2 TYR 63 3.771 -2.235 0.134 488 HE1 TYR 63 HE1 TYR 63 4.170 -1.435 -4.746 489 HE2 TYR 63 HE2 TYR 63 5.778 -1.093 -0.775 490 HH TYR 63 HH TYR 63 6.994 -0.936 -2.902 491 H LEU 64 H LEU 64 1.006 0.264 -0.832 492 HA LEU 64 HA LEU 64 1.106 0.832 -3.755 493 1HB LEU 64 1HB LEU 64 -0.386 2.523 -1.725 494 2HB LEU 64 2HB LEU 64 -0.211 2.879 -3.444 495 HG LEU 64 HG LEU 64 -1.212 0.192 -3.085 496 1HD1 LEU 64 1HD1 LEU 64 -2.050 1.267 -0.940 497 2HD1 LEU 64 2HD1 LEU 64 -2.977 2.375 -1.951 498 3HD1 LEU 64 3HD1 LEU 64 -3.310 0.644 -2.005 499 1HD2 LEU 64 1HD2 LEU 64 -2.402 2.718 -4.278 500 2HD2 LEU 64 2HD2 LEU 64 -1.409 1.541 -5.138 501 3HD2 LEU 64 3HD2 LEU 64 -3.007 1.083 -4.547 502 H SER 65 H SER 65 1.702 3.468 -3.736 503 HA SER 65 HA SER 65 3.884 3.855 -1.752 504 1HB SER 65 1HB SER 65 4.650 4.745 -4.425 505 2HB SER 65 2HB SER 65 5.550 3.761 -3.274 506 HG SER 65 HG SER 65 4.871 2.734 -5.319 507 H GLY 66 H GLY 66 2.630 5.481 -4.698 508 1HA GLY 66 1HA GLY 66 1.997 7.841 -2.985 509 2HA GLY 66 2HA GLY 66 2.948 8.059 -4.455 510 H GLY 67 H GLY 67 0.064 8.806 -3.518 511 1HA GLY 67 1HA GLY 67 -1.139 8.855 -6.088 512 2HA GLY 67 2HA GLY 67 -1.791 7.465 -5.218 513 H ILE 68 H ILE 68 -3.490 9.563 -5.914 514 HA ILE 68 HA ILE 68 -3.830 11.118 -3.400 515 HB ILE 68 HB ILE 68 -5.702 12.193 -4.925 516 1HG1 ILE 68 1HG1 ILE 68 -5.093 12.164 -7.301 517 2HG1 ILE 68 2HG1 ILE 68 -3.766 11.054 -6.963 518 1HG2 ILE 68 1HG2 ILE 68 -2.718 12.616 -5.137 519 2HG2 ILE 68 2HG2 ILE 68 -3.882 13.703 -5.894 520 3HG2 ILE 68 3HG2 ILE 68 -3.871 13.505 -4.141 521 1HD1 ILE 68 1HD1 ILE 68 -6.672 10.446 -6.357 522 2HD1 ILE 68 2HD1 ILE 68 -5.842 9.920 -7.820 523 3HD1 ILE 68 3HD1 ILE 68 -5.312 9.330 -6.246 524 H LEU 69 H LEU 69 -6.461 11.510 -3.160 525 HA LEU 69 HA LEU 69 -7.860 8.929 -3.517 526 1HB LEU 69 1HB LEU 69 -8.446 8.785 -1.127 527 2HB LEU 69 2HB LEU 69 -6.699 8.704 -1.352 528 HG LEU 69 HG LEU 69 -7.373 11.454 -1.130 529 1HD1 LEU 69 1HD1 LEU 69 -9.487 10.467 -0.064 530 2HD1 LEU 69 2HD1 LEU 69 -8.434 9.881 1.224 531 3HD1 LEU 69 3HD1 LEU 69 -8.577 11.612 0.921 532 1HD2 LEU 69 1HD2 LEU 69 -6.066 9.495 0.785 533 2HD2 LEU 69 2HD2 LEU 69 -5.249 10.463 -0.442 534 3HD2 LEU 69 3HD2 LEU 69 -5.995 11.249 0.950 535 H GLU 70 H GLU 70 -10.167 9.131 -2.698 536 HA GLU 70 HA GLU 70 -11.301 11.790 -2.375 537 1HB GLU 70 1HB GLU 70 -10.996 11.926 -4.773 538 2HB GLU 70 2HB GLU 70 -11.655 10.305 -4.998 539 1HG GLU 70 1HG GLU 70 -13.724 11.169 -5.153 540 2HG GLU 70 2HG GLU 70 -13.570 11.820 -3.522 541 H VAL 71 H VAL 71 -12.737 11.226 -0.789 542 HA VAL 71 HA VAL 71 -14.097 8.593 -0.993 543 HB VAL 71 HB VAL 71 -13.012 9.053 1.135 544 1HG1 VAL 71 1HG1 VAL 71 -14.735 11.549 1.112 545 2HG1 VAL 71 2HG1 VAL 71 -13.831 10.982 2.516 546 3HG1 VAL 71 3HG1 VAL 71 -12.973 11.481 1.059 547 1HG2 VAL 71 1HG2 VAL 71 -15.390 7.992 0.955 548 2HG2 VAL 71 2HG2 VAL 71 -14.813 8.495 2.544 549 3HG2 VAL 71 3HG2 VAL 71 -15.945 9.513 1.654 550 H GLN 72 H GLN 72 -16.331 8.401 -1.035 551 HA GLN 72 HA GLN 72 -17.840 10.947 -1.459 552 1HB GLN 72 1HB GLN 72 -17.586 8.631 -3.130 553 2HB GLN 72 2HB GLN 72 -19.254 8.729 -2.565 554 1HG GLN 72 1HG GLN 72 -19.626 10.352 -4.078 555 2HG GLN 72 2HG GLN 72 -18.482 11.373 -3.207 556 1HE2 GLN 72 2HE2 GLN 72 -17.915 12.219 -5.444 557 2HE2 GLN 72 1HE2 GLN 72 -16.815 11.335 -6.388 558 HA PRO 73 HA PRO 73 -20.675 9.667 1.635 559 1HB PRO 73 1HB PRO 73 -23.141 10.083 0.496 560 2HB PRO 73 2HB PRO 73 -22.067 11.393 1.017 561 1HG PRO 73 1HG PRO 73 -22.682 10.459 -1.745 562 2HG PRO 73 2HG PRO 73 -22.151 12.056 -1.194 563 1HD PRO 73 1HD PRO 73 -20.523 10.081 -2.416 564 2HD PRO 73 2HD PRO 73 -19.952 11.552 -1.601 565 H GLY 74 H GLY 74 -20.029 7.320 1.437 566 1HA GLY 74 1HA GLY 74 -21.602 5.329 1.810 567 2HA GLY 74 2HA GLY 74 -22.185 5.667 0.183 568 H ASN 75 H ASN 75 -19.284 6.406 -0.551 569 HA ASN 75 HA ASN 75 -17.886 3.845 -0.318 570 1HB ASN 75 1HB ASN 75 -17.956 3.205 -2.619 571 2HB ASN 75 2HB ASN 75 -19.626 3.558 -2.171 572 1HD2 ASN 75 2HD2 ASN 75 -20.461 5.773 -2.790 573 2HD2 ASN 75 1HD2 ASN 75 -19.805 6.540 -4.155 574 H VAL 76 H VAL 76 -15.689 4.186 -0.537 575 HA VAL 76 HA VAL 76 -14.834 6.918 -1.315 576 HB VAL 76 HB VAL 76 -14.086 6.039 0.877 577 1HG1 VAL 76 1HG1 VAL 76 -12.772 3.908 -0.837 578 2HG1 VAL 76 2HG1 VAL 76 -12.480 4.133 0.887 579 3HG1 VAL 76 3HG1 VAL 76 -14.079 3.654 0.319 580 1HG2 VAL 76 1HG2 VAL 76 -12.634 7.572 -0.505 581 2HG2 VAL 76 2HG2 VAL 76 -11.732 6.550 0.614 582 3HG2 VAL 76 3HG2 VAL 76 -11.792 6.143 -1.101 583 H THR 77 H THR 77 -12.678 6.968 -2.541 584 HA THR 77 HA THR 77 -11.986 4.661 -4.169 585 HB THR 77 HB THR 77 -13.371 7.018 -5.486 586 HG1 THR 77 HG1 THR 77 -14.057 4.292 -5.141 587 1HG2 THR 77 1HG2 THR 77 -11.328 5.458 -6.503 588 2HG2 THR 77 2HG2 THR 77 -12.776 4.636 -7.085 589 3HG2 THR 77 3HG2 THR 77 -12.514 6.339 -7.465 590 H VAL 78 H VAL 78 -9.897 4.923 -4.929 591 HA VAL 78 HA VAL 78 -8.775 7.677 -5.008 592 HB VAL 78 HB VAL 78 -6.881 7.089 -3.655 593 1HG1 VAL 78 1HG1 VAL 78 -9.334 7.370 -2.618 594 2HG1 VAL 78 2HG1 VAL 78 -9.013 5.723 -2.075 595 3HG1 VAL 78 3HG1 VAL 78 -7.932 7.033 -1.603 596 1HG2 VAL 78 1HG2 VAL 78 -7.929 4.312 -4.080 597 2HG2 VAL 78 2HG2 VAL 78 -6.272 4.907 -4.183 598 3HG2 VAL 78 3HG2 VAL 78 -7.023 4.656 -2.607 599 H LEU 79 H LEU 79 -6.596 7.669 -6.114 600 HA LEU 79 HA LEU 79 -6.321 5.367 -7.999 601 1HB LEU 79 1HB LEU 79 -6.133 8.310 -8.718 602 2HB LEU 79 2HB LEU 79 -5.846 6.963 -9.820 603 HG LEU 79 HG LEU 79 -8.400 6.717 -8.425 604 1HD1 LEU 79 1HD1 LEU 79 -8.291 9.188 -8.516 605 2HD1 LEU 79 2HD1 LEU 79 -7.976 9.104 -10.250 606 3HD1 LEU 79 3HD1 LEU 79 -9.526 8.560 -9.608 607 1HD2 LEU 79 1HD2 LEU 79 -7.567 5.487 -10.487 608 2HD2 LEU 79 2HD2 LEU 79 -9.175 6.195 -10.645 609 3HD2 LEU 79 3HD2 LEU 79 -7.784 6.993 -11.380 610 H ALA 80 H ALA 80 -4.148 4.962 -8.672 611 HA ALA 80 HA ALA 80 -2.016 6.673 -7.537 612 1HB ALA 80 1HB ALA 80 -2.818 4.077 -6.445 613 2HB ALA 80 2HB ALA 80 -1.115 4.123 -6.901 614 3HB ALA 80 3HB ALA 80 -1.753 5.302 -5.756 615 H ASP 81 H ASP 81 0.207 5.569 -8.209 616 HA ASP 81 HA ASP 81 -0.077 4.927 -11.096 617 1HB ASP 81 1HB ASP 81 2.086 6.070 -9.374 618 2HB ASP 81 2HB ASP 81 2.564 5.188 -10.826 619 H THR 82 H THR 82 1.891 3.797 -8.319 620 HA THR 82 HA THR 82 2.034 1.131 -9.651 621 HB THR 82 HB THR 82 3.734 2.441 -7.516 622 HG1 THR 82 HG1 THR 82 4.618 2.966 -9.367 623 1HG2 THR 82 1HG2 THR 82 3.146 -0.355 -7.895 624 2HG2 THR 82 2HG2 THR 82 4.839 -0.045 -8.281 625 3HG2 THR 82 3HG2 THR 82 4.199 0.401 -6.699 626 H ALA 83 H ALA 83 0.725 -0.433 -8.833 627 HA ALA 83 HA ALA 83 -0.013 -0.277 -5.943 628 1HB ALA 83 1HB ALA 83 -1.851 -0.681 -8.312 629 2HB ALA 83 2HB ALA 83 -2.311 -1.128 -6.669 630 3HB ALA 83 3HB ALA 83 -1.957 0.555 -7.059 631 H ILE 84 H ILE 84 1.393 -2.008 -5.427 632 HA ILE 84 HA ILE 84 0.945 -4.568 -6.864 633 HB ILE 84 HB ILE 84 3.072 -3.896 -4.817 634 1HG1 ILE 84 1HG1 ILE 84 3.602 -4.103 -7.759 635 2HG1 ILE 84 2HG1 ILE 84 2.930 -2.598 -7.131 636 1HG2 ILE 84 1HG2 ILE 84 2.750 -6.123 -6.844 637 2HG2 ILE 84 2HG2 ILE 84 4.189 -5.866 -5.857 638 3HG2 ILE 84 3HG2 ILE 84 2.656 -6.283 -5.091 639 1HD1 ILE 84 1HD1 ILE 84 4.942 -3.233 -5.315 640 2HD1 ILE 84 2HD1 ILE 84 5.636 -3.659 -6.880 641 3HD1 ILE 84 3HD1 ILE 84 5.044 -2.022 -6.593 642 H ARG 85 H ARG 85 0.425 -6.475 -5.657 643 HA ARG 85 HA ARG 85 -0.668 -5.916 -2.927 644 1HB ARG 85 1HB ARG 85 -2.258 -6.478 -4.953 645 2HB ARG 85 2HB ARG 85 -1.719 -8.132 -4.660 646 1HG ARG 85 1HG ARG 85 -2.268 -7.408 -2.124 647 2HG ARG 85 2HG ARG 85 -3.412 -6.364 -2.968 648 1HD ARG 85 1HD ARG 85 -3.194 -9.378 -3.176 649 2HD ARG 85 2HD ARG 85 -4.538 -8.451 -2.510 650 HE ARG 85 HE ARG 85 -4.227 -7.574 -5.164 651 1HH1 ARG 85 1HH1 ARG 85 -6.585 -9.066 -3.768 652 2HH1 ARG 85 2HH1 ARG 85 -6.807 -10.376 -4.880 653 1HH2 ARG 85 1HH2 ARG 85 -3.767 -9.883 -6.477 654 2HH2 ARG 85 2HH2 ARG 85 -5.210 -10.838 -6.414 655 H GLY 86 H GLY 86 -0.530 -7.717 -1.414 656 1HA GLY 86 1HA GLY 86 1.930 -8.961 -1.165 657 2HA GLY 86 2HA GLY 86 0.454 -9.651 -0.488 658 H GLN 87 H GLN 87 2.724 -9.801 -3.136 659 HA GLN 87 HA GLN 87 2.498 -12.487 -3.709 660 1HB GLN 87 1HB GLN 87 0.103 -11.083 -4.547 661 2HB GLN 87 2HB GLN 87 0.913 -11.815 -5.934 662 1HG GLN 87 1HG GLN 87 0.688 -13.973 -5.101 663 2HG GLN 87 2HG GLN 87 0.600 -13.427 -3.427 664 1HE2 GLN 87 2HE2 GLN 87 -1.426 -14.803 -3.306 665 2HE2 GLN 87 1HE2 GLN 87 -2.885 -14.156 -3.884 666 H ASP 88 H ASP 88 1.913 -9.877 -6.077 667 HA ASP 88 HA ASP 88 3.181 -9.353 -7.998 668 1HB ASP 88 1HB ASP 88 5.542 -8.661 -7.341 669 2HB ASP 88 2HB ASP 88 4.244 -7.880 -6.441 670 H LEU 89 H LEU 89 2.812 -12.041 -8.051 671 HA LEU 89 HA LEU 89 3.772 -14.104 -8.668 672 1HB LEU 89 1HB LEU 89 5.455 -12.102 -10.201 673 2HB LEU 89 2HB LEU 89 5.423 -13.834 -10.530 674 HG LEU 89 HG LEU 89 2.935 -12.113 -10.519 675 1HD1 LEU 89 1HD1 LEU 89 4.646 -11.446 -12.274 676 2HD1 LEU 89 2HD1 LEU 89 4.480 -13.071 -12.941 677 3HD1 LEU 89 3HD1 LEU 89 3.092 -11.982 -12.913 678 1HD2 LEU 89 1HD2 LEU 89 3.099 -14.782 -10.287 679 2HD2 LEU 89 2HD2 LEU 89 1.821 -14.007 -11.224 680 3HD2 LEU 89 3HD2 LEU 89 3.240 -14.663 -12.041 681 H ASP 90 H ASP 90 6.886 -12.563 -9.090 682 HA ASP 90 HA ASP 90 8.354 -14.447 -7.638 683 1HB ASP 90 1HB ASP 90 10.164 -12.858 -7.613 684 2HB ASP 90 2HB ASP 90 9.275 -12.603 -9.115 685 H GLU 91 H GLU 91 9.376 -14.255 -5.477 686 HA GLU 91 HA GLU 91 7.901 -12.507 -3.578 687 1HB GLU 91 1HB GLU 91 8.228 -15.508 -3.286 688 2HB GLU 91 2HB GLU 91 7.608 -14.436 -2.030 689 1HG GLU 91 1HG GLU 91 5.637 -13.989 -3.192 690 2HG GLU 91 2HG GLU 91 6.351 -14.386 -4.756 691 H ALA 92 H ALA 92 10.412 -15.069 -3.670 692 HA ALA 92 HA ALA 92 11.913 -13.705 -1.551 693 1HB ALA 92 1HB ALA 92 11.798 -16.334 -2.586 694 2HB ALA 92 2HB ALA 92 13.431 -15.751 -2.908 695 3HB ALA 92 3HB ALA 92 12.803 -15.752 -1.260 696 H ARG 93 H ARG 93 11.733 -13.530 -4.960 697 HA ARG 93 HA ARG 93 14.505 -12.758 -5.420 698 1HB ARG 93 1HB ARG 93 12.474 -13.564 -7.064 699 2HB ARG 93 2HB ARG 93 12.462 -11.821 -7.339 700 1HG ARG 93 1HG ARG 93 14.887 -11.879 -7.813 701 2HG ARG 93 2HG ARG 93 14.893 -13.623 -7.551 702 1HD ARG 93 1HD ARG 93 13.467 -13.999 -9.443 703 2HD ARG 93 2HD ARG 93 13.130 -12.276 -9.609 704 HE ARG 93 HE ARG 93 15.342 -13.604 -10.798 705 1HH1 ARG 93 1HH1 ARG 93 14.205 -10.643 -9.551 706 2HH1 ARG 93 2HH1 ARG 93 15.667 -9.771 -9.872 707 1HH2 ARG 93 1HH2 ARG 93 17.414 -12.571 -10.936 708 2HH2 ARG 93 2HH2 ARG 93 17.485 -10.864 -10.653 709 H ALA 94 H ALA 94 11.836 -11.214 -4.024 710 HA ALA 94 HA ALA 94 12.646 -8.502 -4.868 711 1HB ALA 94 1HB ALA 94 10.212 -9.355 -4.389 712 2HB ALA 94 2HB ALA 94 10.642 -9.085 -2.700 713 3HB ALA 94 3HB ALA 94 10.677 -7.743 -3.845 714 H MET 95 H MET 95 13.184 -10.744 -2.299 715 HA MET 95 HA MET 95 13.901 -8.889 -0.226 716 1HB MET 95 1HB MET 95 14.009 -11.761 -0.679 717 2HB MET 95 2HB MET 95 15.461 -11.187 0.139 718 1HG MET 95 1HG MET 95 13.267 -9.835 1.326 719 2HG MET 95 2HG MET 95 12.820 -11.537 1.219 720 1HE MET 95 1HE MET 95 14.759 -8.826 2.435 721 2HE MET 95 2HE MET 95 14.140 -9.347 4.000 722 3HE MET 95 3HE MET 95 15.872 -9.393 3.688 723 H GLU 96 H GLU 96 15.587 -10.143 -3.025 724 HA GLU 96 HA GLU 96 18.241 -9.372 -2.139 725 1HB GLU 96 1HB GLU 96 18.938 -9.881 -4.389 726 2HB GLU 96 2HB GLU 96 17.734 -11.086 -3.934 727 1HG GLU 96 1HG GLU 96 16.531 -10.498 -5.743 728 2HG GLU 96 2HG GLU 96 16.287 -8.911 -5.012 729 H ALA 97 H ALA 97 15.531 -7.662 -3.334 730 HA ALA 97 HA ALA 97 16.894 -5.524 -4.700 731 1HB ALA 97 1HB ALA 97 14.177 -6.136 -3.835 732 2HB ALA 97 2HB ALA 97 14.567 -4.430 -3.612 733 3HB ALA 97 3HB ALA 97 14.722 -5.169 -5.206 734 H LYS 98 H LYS 98 15.728 -5.898 -1.345 735 HA LYS 98 HA LYS 98 16.548 -3.323 -0.435 736 1HB LYS 98 1HB LYS 98 15.069 -4.920 0.829 737 2HB LYS 98 2HB LYS 98 16.503 -5.885 1.185 738 1HG LYS 98 1HG LYS 98 16.935 -3.066 1.780 739 2HG LYS 98 2HG LYS 98 15.564 -3.719 2.678 740 1HD LYS 98 1HD LYS 98 17.057 -5.676 3.312 741 2HD LYS 98 2HD LYS 98 18.407 -4.758 2.642 742 1HE LYS 98 1HE LYS 98 17.621 -2.839 4.182 743 2HE LYS 98 2HE LYS 98 16.668 -4.071 5.011 744 1HZ LYS 98 1HZ LYS 98 19.597 -4.216 4.542 745 2HZ LYS 98 2HZ LYS 98 18.869 -3.758 6.007 746 3HZ LYS 98 3HZ LYS 98 18.660 -5.334 5.413 747 H ARG 99 H ARG 99 18.379 -6.086 -1.338 748 HA ARG 99 HA ARG 99 20.732 -5.277 0.255 749 1HB ARG 99 1HB ARG 99 20.219 -7.538 -1.694 750 2HB ARG 99 2HB ARG 99 21.806 -7.225 -0.991 751 1HG ARG 99 1HG ARG 99 20.860 -7.460 1.274 752 2HG ARG 99 2HG ARG 99 19.267 -7.765 0.579 753 1HD ARG 99 1HD ARG 99 19.902 -9.850 -0.290 754 2HD ARG 99 2HD ARG 99 21.620 -9.455 -0.235 755 HE ARG 99 HE ARG 99 21.656 -10.138 2.031 756 1HH1 ARG 99 1HH2 ARG 99 19.134 -11.689 0.919 757 2HH1 ARG 99 2HH2 ARG 99 18.077 -11.504 2.279 758 1HH2 ARG 99 1HH1 ARG 99 20.002 -9.042 3.778 759 2HH2 ARG 99 2HH1 ARG 99 18.570 -10.009 3.898 760 H LYS 100 H LYS 100 19.667 -5.359 -3.137 761 HA LYS 100 HA LYS 100 22.170 -4.257 -4.135 762 1HB LYS 100 1HB LYS 100 21.035 -4.110 -6.269 763 2HB LYS 100 2HB LYS 100 20.578 -5.638 -5.517 764 1HG LYS 100 1HG LYS 100 18.505 -4.554 -4.654 765 2HG LYS 100 2HG LYS 100 18.948 -3.081 -5.517 766 1HD LYS 100 1HD LYS 100 19.133 -5.309 -7.322 767 2HD LYS 100 2HD LYS 100 17.552 -5.333 -6.540 768 1HE LYS 100 1HE LYS 100 18.232 -2.623 -7.236 769 2HE LYS 100 2HE LYS 100 18.396 -3.653 -8.658 770 1HZ LYS 100 1HZ LYS 100 16.034 -3.930 -6.931 771 2HZ LYS 100 2HZ LYS 100 16.102 -2.652 -8.049 772 3HZ LYS 100 3HZ LYS 100 16.199 -4.261 -8.586 773 H ALA 101 H ALA 101 19.486 -2.957 -2.511 774 HA ALA 101 HA ALA 101 19.706 -0.284 -3.734 775 1HB ALA 101 1HB ALA 101 17.568 -1.452 -2.721 776 2HB ALA 101 2HB ALA 101 18.202 -0.839 -1.194 777 3HB ALA 101 3HB ALA 101 17.808 0.281 -2.498 778 H GLU 102 H GLU 102 21.182 -2.073 -1.226 779 HA GLU 102 HA GLU 102 21.805 0.091 0.574 780 1HB GLU 102 1HB GLU 102 21.986 -2.209 1.335 781 2HB GLU 102 2HB GLU 102 23.172 -2.570 0.079 782 1HG GLU 102 1HG GLU 102 24.046 -0.267 1.561 783 2HG GLU 102 2HG GLU 102 23.668 -1.568 2.689 784 H GLU 103 H GLU 103 23.621 -1.452 -2.090 785 HA GLU 103 HA GLU 103 26.010 -0.010 -1.932 786 1HB GLU 103 1HB GLU 103 24.442 -1.165 -4.209 787 2HB GLU 103 2HB GLU 103 25.821 -0.129 -4.578 788 1HG GLU 103 1HG GLU 103 25.998 -2.458 -2.655 789 2HG GLU 103 2HG GLU 103 26.346 -2.614 -4.378 790 H HIS 104 H HIS 104 22.842 1.126 -2.784 791 HA HIS 104 HA HIS 104 23.862 3.620 -3.978 792 1HB HIS 104 1HB HIS 104 21.084 2.591 -3.351 793 2HB HIS 104 2HB HIS 104 21.378 4.219 -3.963 794 HD1 HIS 104 HD1 HIS 104 22.235 0.623 -4.928 795 HD2 HIS 104 HD2 HIS 104 21.515 4.318 -6.720 796 HE1 HIS 104 HE1 HIS 104 22.283 0.228 -7.429 797 H ILE 105 H ILE 105 22.394 2.505 -0.954 798 HA ILE 105 HA ILE 105 22.277 5.194 0.177 799 HB ILE 105 HB ILE 105 22.002 2.459 1.458 800 1HG1 ILE 105 1HG1 ILE 105 20.015 4.516 0.454 801 2HG1 ILE 105 2HG1 ILE 105 20.212 2.855 -0.107 802 1HG2 ILE 105 1HG2 ILE 105 21.561 5.260 2.522 803 2HG2 ILE 105 2HG2 ILE 105 20.900 3.820 3.296 804 3HG2 ILE 105 3HG2 ILE 105 22.646 4.027 3.164 805 1HD1 ILE 105 1HD1 ILE 105 19.546 2.035 2.138 806 2HD1 ILE 105 2HD1 ILE 105 19.295 3.702 2.657 807 3HD1 ILE 105 3HD1 ILE 105 18.278 3.009 1.394 808 H SER 106 H SER 106 24.777 3.035 -0.411 809 HA SER 106 HA SER 106 26.342 3.924 1.962 810 1HB SER 106 1HB SER 106 27.645 2.040 1.695 811 2HB SER 106 2HB SER 106 26.165 1.449 0.944 812 HG SER 106 HG SER 106 28.342 1.356 -0.221 813 H SER 107 H SER 107 25.918 4.547 -1.385 814 HA SER 107 HA SER 107 28.625 5.684 -1.708 815 1HB SER 107 1HB SER 107 26.756 4.561 -3.471 816 2HB SER 107 2HB SER 107 26.763 6.279 -3.857 817 HG SER 107 HG SER 107 28.394 4.926 -4.927 818 H SER 108 H SER 108 29.053 7.819 -1.447 819 HA SER 108 HA SER 108 26.748 9.638 -0.918 820 1HB SER 108 1HB SER 108 28.092 9.949 0.921 821 2HB SER 108 2HB SER 108 29.551 9.460 0.065 822 HG SER 108 HG SER 108 29.540 11.699 0.511 823 H HIS 109 H HIS 109 26.333 11.285 -2.345 824 HA HIS 109 HA HIS 109 28.487 12.188 -4.171 825 1HB HIS 109 1HB HIS 109 26.368 10.411 -4.962 826 2HB HIS 109 2HB HIS 109 26.150 11.963 -5.770 827 HD1 HIS 109 HD1 HIS 109 27.125 9.344 -7.249 828 HD2 HIS 109 HD2 HIS 109 29.613 12.386 -5.859 829 HE1 HIS 109 HE1 HIS 109 29.262 9.194 -8.599 830 H GLY 110 H GLY 110 26.687 13.243 -1.910 831 1HA GLY 110 1HA GLY 110 26.529 15.903 -2.479 832 2HA GLY 110 2HA GLY 110 25.080 15.289 -3.275 833 H ASP 111 H ASP 111 24.312 16.931 -1.458 834 HA ASP 111 HA ASP 111 24.200 15.774 1.230 835 1HB ASP 111 1HB ASP 111 22.568 17.730 1.587 836 2HB ASP 111 2HB ASP 111 24.231 18.153 1.176 837 H VAL 112 H VAL 112 22.165 15.883 -1.628 838 HA VAL 112 HA VAL 112 20.122 14.292 -0.128 839 HB VAL 112 HB VAL 112 18.412 15.217 -1.528 840 1HG1 VAL 112 1HG1 VAL 112 20.204 16.905 -0.021 841 2HG1 VAL 112 2HG1 VAL 112 19.516 17.816 -1.365 842 3HG1 VAL 112 3HG1 VAL 112 18.454 17.032 -0.197 843 1HG2 VAL 112 1HG2 VAL 112 20.612 15.576 -3.342 844 2HG2 VAL 112 2HG2 VAL 112 18.886 15.715 -3.673 845 3HG2 VAL 112 3HG2 VAL 112 19.795 17.123 -3.124 846 H ASP 113 H ASP 113 22.593 13.519 -1.725 847 HA ASP 113 HA ASP 113 21.707 12.292 -4.175 848 1HB ASP 113 1HB ASP 113 24.067 12.698 -3.836 849 2HB ASP 113 2HB ASP 113 24.065 11.737 -2.356 850 H TYR 114 H TYR 114 23.193 10.063 -1.958 851 HA TYR 114 HA TYR 114 21.125 8.107 -2.356 852 1HB TYR 114 1HB TYR 114 22.386 6.708 -0.909 853 2HB TYR 114 2HB TYR 114 23.597 7.719 -1.694 854 HD1 TYR 114 HD1 TYR 114 21.669 7.188 1.426 855 HD2 TYR 114 HD2 TYR 114 24.860 9.358 -0.461 856 HE1 TYR 114 HE1 TYR 114 22.416 8.016 3.641 857 HE2 TYR 114 HE2 TYR 114 25.606 10.186 1.755 858 HH TYR 114 HH TYR 114 24.321 10.565 4.100 859 H ALA 115 H ALA 115 21.497 10.768 -0.236 860 HA ALA 115 HA ALA 115 19.971 9.957 2.015 861 1HB ALA 115 1HB ALA 115 21.115 12.354 1.006 862 2HB ALA 115 2HB ALA 115 19.416 12.699 1.332 863 3HB ALA 115 3HB ALA 115 20.450 12.077 2.618 864 H GLN 116 H GLN 116 18.999 11.250 -1.141 865 HA GLN 116 HA GLN 116 16.168 11.329 -0.451 866 1HB GLN 116 1HB GLN 116 17.831 12.199 -2.624 867 2HB GLN 116 2HB GLN 116 16.525 11.207 -3.275 868 1HG GLN 116 1HG GLN 116 15.529 12.980 -1.207 869 2HG GLN 116 2HG GLN 116 16.346 13.894 -2.477 870 1HE2 GLN 116 2HE2 GLN 116 13.617 11.727 -1.818 871 2HE2 GLN 116 1HE2 GLN 116 12.840 11.970 -3.308 872 H ALA 117 H ALA 117 18.382 8.909 -1.475 873 HA ALA 117 HA ALA 117 16.391 7.191 -2.747 874 1HB ALA 117 1HB ALA 117 19.154 7.287 -2.746 875 2HB ALA 117 2HB ALA 117 18.817 5.886 -1.730 876 3HB ALA 117 3HB ALA 117 18.184 5.955 -3.375 877 H SER 118 H SER 118 17.378 7.870 0.478 878 HA SER 118 HA SER 118 16.844 5.362 1.730 879 1HB SER 118 1HB SER 118 17.949 7.277 2.870 880 2HB SER 118 2HB SER 118 16.417 8.146 2.856 881 HG SER 118 HG SER 118 16.501 5.546 3.896 882 H ALA 119 H ALA 119 14.718 7.896 0.560 883 HA ALA 119 HA ALA 119 12.372 6.929 1.984 884 1HB ALA 119 1HB ALA 119 13.040 9.150 0.287 885 2HB ALA 119 2HB ALA 119 11.588 8.367 -0.339 886 3HB ALA 119 3HB ALA 119 11.630 8.947 1.326 887 H GLU 120 H GLU 120 13.919 6.213 -1.078 888 HA GLU 120 HA GLU 120 11.584 4.732 -2.083 889 1HB GLU 120 1HB GLU 120 14.412 4.784 -3.176 890 2HB GLU 120 2HB GLU 120 12.954 4.278 -4.030 891 1HG GLU 120 1HG GLU 120 12.543 6.914 -2.958 892 2HG GLU 120 2HG GLU 120 14.048 6.893 -3.878 893 H LEU 121 H LEU 121 14.083 4.123 0.090 894 HA LEU 121 HA LEU 121 14.325 1.252 -0.562 895 1HB LEU 121 1HB LEU 121 16.349 2.351 0.165 896 2HB LEU 121 2HB LEU 121 15.547 2.986 1.602 897 HG LEU 121 HG LEU 121 15.165 0.156 1.564 898 1HD1 LEU 121 1HD1 LEU 121 18.021 1.078 1.132 899 2HD1 LEU 121 2HD1 LEU 121 17.581 -0.517 1.743 900 3HD1 LEU 121 3HD1 LEU 121 17.103 -0.033 0.116 901 1HD2 LEU 121 1HD2 LEU 121 15.816 2.231 3.347 902 2HD2 LEU 121 2HD2 LEU 121 15.537 0.540 3.759 903 3HD2 LEU 121 3HD2 LEU 121 17.174 1.110 3.435 904 H ALA 122 H ALA 122 13.416 3.136 2.352 905 HA ALA 122 HA ALA 122 12.303 0.923 3.758 906 1HB ALA 122 1HB ALA 122 12.736 3.613 4.289 907 2HB ALA 122 2HB ALA 122 10.978 3.470 4.315 908 3HB ALA 122 3HB ALA 122 11.961 2.461 5.377 909 H LYS 123 H LYS 123 11.020 2.847 1.163 910 HA LYS 123 HA LYS 123 8.242 2.036 1.712 911 1HB LYS 123 1HB LYS 123 7.700 3.312 -0.309 912 2HB LYS 123 2HB LYS 123 8.753 4.267 0.736 913 1HG LYS 123 1HG LYS 123 9.944 4.545 -1.197 914 2HG LYS 123 2HG LYS 123 10.620 2.980 -0.742 915 1HD LYS 123 1HD LYS 123 9.703 1.991 -2.544 916 2HD LYS 123 2HD LYS 123 8.108 2.625 -2.136 917 1HE LYS 123 1HE LYS 123 8.265 4.272 -3.674 918 2HE LYS 123 2HE LYS 123 9.894 4.702 -3.151 919 1HZ LYS 123 1HZ LYS 123 10.030 2.221 -4.416 920 2HZ LYS 123 2HZ LYS 123 9.117 3.244 -5.419 921 3HZ LYS 123 3HZ LYS 123 10.682 3.696 -4.939 922 H ALA 124 H ALA 124 10.962 0.861 -0.066 923 HA ALA 124 HA ALA 124 9.372 -0.709 -1.958 924 1HB ALA 124 1HB ALA 124 11.784 0.173 -2.289 925 2HB ALA 124 2HB ALA 124 12.273 -1.194 -1.288 926 3HB ALA 124 3HB ALA 124 11.437 -1.474 -2.815 927 H ILE 125 H ILE 125 10.990 -1.238 1.139 928 HA ILE 125 HA ILE 125 10.568 -4.120 1.106 929 HB ILE 125 HB ILE 125 11.362 -2.139 3.250 930 1HG1 ILE 125 1HG1 ILE 125 13.382 -3.851 3.123 931 2HG1 ILE 125 2HG1 ILE 125 12.713 -4.188 1.526 932 1HG2 ILE 125 1HG2 ILE 125 10.965 -5.136 3.509 933 2HG2 ILE 125 2HG2 ILE 125 11.750 -4.115 4.714 934 3HG2 ILE 125 3HG2 ILE 125 10.041 -3.887 4.345 935 1HD1 ILE 125 1HD1 ILE 125 13.191 -1.353 2.429 936 2HD1 ILE 125 2HD1 ILE 125 14.497 -2.311 1.729 937 3HD1 ILE 125 3HD1 ILE 125 13.044 -1.977 0.786 938 H ALA 126 H ALA 126 8.483 -1.520 1.465 939 HA ALA 126 HA ALA 126 6.772 -2.420 3.580 940 1HB ALA 126 1HB ALA 126 6.810 -0.142 2.310 941 2HB ALA 126 2HB ALA 126 5.752 -0.954 1.156 942 3HB ALA 126 3HB ALA 126 5.255 -0.785 2.840 943 H GLN 127 H GLN 127 6.972 -3.236 0.150 944 HA GLN 127 HA GLN 127 4.484 -4.780 0.216 945 1HB GLN 127 1HB GLN 127 5.950 -3.632 -1.805 946 2HB GLN 127 2HB GLN 127 6.391 -5.334 -1.962 947 1HG GLN 127 1HG GLN 127 3.506 -4.703 -1.546 948 2HG GLN 127 2HG GLN 127 4.195 -4.338 -3.129 949 1HE2 GLN 127 2HE2 GLN 127 2.260 -6.530 -2.357 950 2HE2 GLN 127 1HE2 GLN 127 3.010 -7.973 -2.843 951 H LEU 128 H LEU 128 7.736 -5.324 1.116 952 HA LEU 128 HA LEU 128 7.754 -8.195 0.583 953 1HB LEU 128 1HB LEU 128 9.876 -7.017 0.659 954 2HB LEU 128 2HB LEU 128 9.539 -6.438 2.291 955 HG LEU 128 HG LEU 128 9.578 -8.716 3.156 956 1HD1 LEU 128 1HD1 LEU 128 9.701 -9.377 0.229 957 2HD1 LEU 128 2HD1 LEU 128 10.428 -10.482 1.395 958 3HD1 LEU 128 3HD1 LEU 128 8.709 -10.103 1.494 959 1HD2 LEU 128 1HD2 LEU 128 11.740 -7.438 2.802 960 2HD2 LEU 128 2HD2 LEU 128 11.926 -9.191 2.861 961 3HD2 LEU 128 3HD2 LEU 128 11.955 -8.352 1.310 962 H ARG 129 H ARG 129 6.709 -6.112 3.176 963 HA ARG 129 HA ARG 129 6.693 -8.162 5.231 964 1HB ARG 129 1HB ARG 129 5.992 -5.350 4.999 965 2HB ARG 129 2HB ARG 129 4.773 -6.240 5.914 966 1HG ARG 129 1HG ARG 129 7.581 -6.908 6.570 967 2HG ARG 129 2HG ARG 129 7.070 -5.278 7.012 968 1HD ARG 129 1HD ARG 129 5.938 -6.095 8.775 969 2HD ARG 129 2HD ARG 129 4.970 -7.102 7.699 970 HE ARG 129 HE ARG 129 7.329 -8.513 7.927 971 1HH1 ARG 129 1HH1 ARG 129 4.454 -8.180 9.571 972 2HH1 ARG 129 2HH1 ARG 129 5.009 -8.861 11.064 973 1HH2 ARG 129 1HH2 ARG 129 8.340 -8.926 10.103 974 2HH2 ARG 129 2HH2 ARG 129 7.209 -9.284 11.365 975 H VAL 130 H VAL 130 4.189 -6.747 3.121 976 HA VAL 130 HA VAL 130 2.071 -8.413 4.152 977 HB VAL 130 HB VAL 130 0.827 -7.648 2.146 978 1HG1 VAL 130 1HG1 VAL 130 1.806 -6.106 4.262 979 2HG1 VAL 130 2HG1 VAL 130 2.092 -5.116 2.831 980 3HG1 VAL 130 3HG1 VAL 130 0.463 -5.684 3.198 981 1HG2 VAL 130 1HG2 VAL 130 2.801 -7.727 0.607 982 2HG2 VAL 130 2HG2 VAL 130 1.914 -6.205 0.515 983 3HG2 VAL 130 3HG2 VAL 130 3.434 -6.288 1.408 984 H ILE 131 H ILE 131 4.423 -8.783 1.550 985 HA ILE 131 HA ILE 131 3.096 -11.117 0.409 986 HB ILE 131 HB ILE 131 4.577 -9.624 -0.924 987 1HG1 ILE 131 1HG1 ILE 131 5.322 -12.543 -0.621 988 2HG1 ILE 131 2HG1 ILE 131 4.256 -11.816 -1.823 989 1HG2 ILE 131 1HG2 ILE 131 6.217 -9.206 0.909 990 2HG2 ILE 131 2HG2 ILE 131 6.789 -10.865 0.740 991 3HG2 ILE 131 3HG2 ILE 131 6.995 -9.723 -0.587 992 1HD1 ILE 131 1HD1 ILE 131 6.572 -10.417 -2.245 993 2HD1 ILE 131 2HD1 ILE 131 7.201 -12.000 -1.788 994 3HD1 ILE 131 3HD1 ILE 131 6.098 -11.850 -3.157 995 H GLU 132 H GLU 132 5.445 -10.551 2.932 996 HA GLU 132 HA GLU 132 6.480 -13.263 2.967 997 1HB GLU 132 1HB GLU 132 6.613 -10.923 4.860 998 2HB GLU 132 2HB GLU 132 7.218 -12.509 5.341 999 1HG GLU 132 1HG GLU 132 8.151 -11.886 2.686 1000 2HG GLU 132 2HG GLU 132 8.559 -10.566 3.783 1001 H LEU 133 H LEU 133 3.643 -11.724 4.269 1002 HA LEU 133 HA LEU 133 3.210 -13.913 6.208 1003 1HB LEU 133 1HB LEU 133 1.400 -12.638 7.044 1004 2HB LEU 133 2HB LEU 133 2.612 -11.434 6.610 1005 HG LEU 133 HG LEU 133 1.237 -11.727 4.247 1006 1HD1 LEU 133 1HD1 LEU 133 -0.382 -12.953 6.168 1007 2HD1 LEU 133 2HD1 LEU 133 -1.073 -11.341 5.983 1008 3HD1 LEU 133 3HD1 LEU 133 -0.896 -12.392 4.578 1009 1HD2 LEU 133 1HD2 LEU 133 1.946 -9.649 5.551 1010 2HD2 LEU 133 2HD2 LEU 133 0.405 -9.524 4.703 1011 3HD2 LEU 133 3HD2 LEU 133 0.434 -9.804 6.444 1012 H THR 134 H THR 134 2.821 -13.610 2.950 1013 HA THR 134 HA THR 134 0.175 -14.909 2.792 1014 HB THR 134 HB THR 134 1.031 -13.180 1.110 1015 HG1 THR 134 HG1 THR 134 0.328 -15.704 0.036 1016 1HG2 THR 134 1HG2 THR 134 3.237 -14.830 1.028 1017 2HG2 THR 134 2HG2 THR 134 2.368 -15.288 -0.437 1018 3HG2 THR 134 3HG2 THR 134 2.841 -13.608 -0.181 1019 H LYS 135 H LYS 135 3.120 -16.003 3.639 1020 HA LYS 135 HA LYS 135 3.421 -18.317 1.929 1021 1HB LYS 135 1HB LYS 135 5.089 -19.046 3.508 1022 2HB LYS 135 2HB LYS 135 5.246 -17.296 3.354 1023 1HG LYS 135 1HG LYS 135 3.441 -17.424 5.372 1024 2HG LYS 135 2HG LYS 135 4.336 -18.917 5.667 1025 1HD LYS 135 1HD LYS 135 5.844 -16.378 5.120 1026 2HD LYS 135 2HD LYS 135 5.187 -16.669 6.731 1027 1HE LYS 135 1HE LYS 135 7.238 -17.697 6.981 1028 2HE LYS 135 2HE LYS 135 6.313 -19.060 6.350 1029 1HZ LYS 135 1HZ LYS 135 7.891 -17.182 4.679 1030 2HZ LYS 135 2HZ LYS 135 8.439 -18.704 5.189 1031 3HZ LYS 135 3HZ LYS 135 7.097 -18.589 4.153 1032 H LYS 136 H LYS 136 1.624 -17.635 4.867 1033 HA LYS 136 HA LYS 136 0.933 -20.489 5.211 1034 1HB LYS 136 1HB LYS 136 0.007 -18.053 6.766 1035 2HB LYS 136 2HB LYS 136 -0.242 -19.739 7.226 1036 1HG LYS 136 1HG LYS 136 1.738 -19.668 8.298 1037 2HG LYS 136 2HG LYS 136 2.518 -19.499 6.725 1038 1HD LYS 136 1HD LYS 136 3.278 -17.606 7.898 1039 2HD LYS 136 2HD LYS 136 1.928 -16.976 6.953 1040 1HE LYS 136 1HE LYS 136 0.920 -16.323 8.853 1041 2HE LYS 136 2HE LYS 136 0.854 -18.004 9.381 1042 1HZ LYS 136 1HZ LYS 136 3.393 -16.571 9.643 1043 2HZ LYS 136 2HZ LYS 136 2.155 -16.200 10.742 1044 3HZ LYS 136 3HZ LYS 136 2.733 -17.794 10.620 1045 H ALA 137 H ALA 137 -0.011 -18.383 3.022 1046 HA ALA 137 HA ALA 137 -2.904 -18.377 3.358 1047 1HB ALA 137 1HB ALA 137 -1.082 -17.720 1.032 1048 2HB ALA 137 2HB ALA 137 -2.840 -17.629 0.918 1049 3HB ALA 137 3HB ALA 137 -1.975 -16.595 2.055 1050 H MET 138 H MET 138 -0.627 -20.183 1.273 1051 HA MET 138 HA MET 138 -2.853 -22.006 0.521 1052 1HB MET 138 1HB MET 138 -0.057 -22.272 -0.535 1053 2HB MET 138 2HB MET 138 -1.589 -22.618 -1.338 1054 1HG MET 138 1HG MET 138 -1.879 -19.957 -0.883 1055 2HG MET 138 2HG MET 138 -0.128 -20.051 -1.078 1056 1HE MET 138 1HE MET 138 -0.946 -18.316 -2.783 1057 2HE MET 138 2HE MET 138 -1.384 -18.703 -4.453 1058 3HE MET 138 3HE MET 138 -2.618 -18.688 -3.196 Start of MODEL 2 1 1H ALA 1 1H ALA 1 -21.546 2.750 11.378 2 2H ALA 1 2H ALA 1 -21.931 2.774 13.033 3 3H ALA 1 3H ALA 1 -20.521 3.537 12.481 4 HA ALA 1 HA ALA 1 -19.355 1.623 12.291 5 1HB ALA 1 1HB ALA 1 -21.548 0.974 14.282 6 2HB ALA 1 2HB ALA 1 -20.061 0.040 14.115 7 3HB ALA 1 3HB ALA 1 -19.992 1.725 14.630 8 H MET 2 H MET 2 -19.982 1.063 10.051 9 HA MET 2 HA MET 2 -21.170 -1.609 9.943 10 1HB MET 2 1HB MET 2 -23.046 0.251 9.792 11 2HB MET 2 2HB MET 2 -22.470 0.396 8.130 12 1HG MET 2 1HG MET 2 -22.632 -2.313 8.369 13 2HG MET 2 2HG MET 2 -23.951 -1.813 9.429 14 1HE MET 2 1HE MET 2 -22.518 -2.498 6.369 15 2HE MET 2 2HE MET 2 -23.764 -2.320 5.136 16 3HE MET 2 3HE MET 2 -22.665 -0.984 5.466 17 H THR 3 H THR 3 -20.494 -2.719 8.088 18 HA THR 3 HA THR 3 -18.132 -1.954 6.792 19 HB THR 3 HB THR 3 -18.724 -3.656 5.073 20 HG1 THR 3 HG1 THR 3 -20.759 -4.656 5.281 21 1HG2 THR 3 1HG2 THR 3 -18.842 -4.071 7.987 22 2HG2 THR 3 2HG2 THR 3 -19.537 -5.386 7.037 23 3HG2 THR 3 3HG2 THR 3 -17.864 -4.894 6.771 24 H TYR 4 H TYR 4 -17.863 -1.403 4.426 25 HA TYR 4 HA TYR 4 -20.127 0.142 3.302 26 1HB TYR 4 1HB TYR 4 -18.692 2.099 2.863 27 2HB TYR 4 2HB TYR 4 -18.847 1.785 4.585 28 HD1 TYR 4 HD1 TYR 4 -16.974 -0.062 5.432 29 HD2 TYR 4 HD2 TYR 4 -16.573 2.682 2.151 30 HE1 TYR 4 HE1 TYR 4 -14.513 -0.158 5.656 31 HE2 TYR 4 HE2 TYR 4 -14.104 2.581 2.368 32 HH TYR 4 HH TYR 4 -12.396 1.510 3.352 33 H HIS 5 H HIS 5 -18.100 1.304 1.328 34 HA HIS 5 HA HIS 5 -17.607 -1.229 -0.185 35 1HB HIS 5 1HB HIS 5 -19.644 0.142 -0.909 36 2HB HIS 5 2HB HIS 5 -18.493 1.357 -1.463 37 HD1 HIS 5 HD1 HIS 5 -16.335 -0.200 -2.798 38 HD2 HIS 5 HD2 HIS 5 -20.340 -1.289 -3.144 39 HE1 HIS 5 HE1 HIS 5 -16.512 -1.608 -4.893 40 H LEU 6 H LEU 6 -15.529 -1.411 -0.876 41 HA LEU 6 HA LEU 6 -13.786 0.961 -0.845 42 1HB LEU 6 1HB LEU 6 -13.461 -1.666 0.035 43 2HB LEU 6 2HB LEU 6 -12.561 -1.601 -1.476 44 HG LEU 6 HG LEU 6 -11.006 -0.913 0.143 45 1HD1 LEU 6 1HD1 LEU 6 -11.891 0.827 -1.803 46 2HD1 LEU 6 2HD1 LEU 6 -11.819 1.841 -0.365 47 3HD1 LEU 6 3HD1 LEU 6 -10.376 0.983 -0.914 48 1HD2 LEU 6 1HD2 LEU 6 -13.393 0.268 1.412 49 2HD2 LEU 6 2HD2 LEU 6 -11.973 -0.469 2.151 50 3HD2 LEU 6 3HD2 LEU 6 -11.908 1.201 1.590 51 H ASP 7 H ASP 7 -13.099 1.805 -2.833 52 HA ASP 7 HA ASP 7 -13.264 0.022 -5.210 53 1HB ASP 7 1HB ASP 7 -15.171 1.989 -4.694 54 2HB ASP 7 2HB ASP 7 -14.067 2.767 -5.828 55 H VAL 8 H VAL 8 -10.880 0.097 -4.736 56 HA VAL 8 HA VAL 8 -9.628 2.669 -5.575 57 HB VAL 8 HB VAL 8 -8.718 1.889 -3.498 58 1HG1 VAL 8 1HG1 VAL 8 -9.192 -0.704 -4.708 59 2HG1 VAL 8 2HG1 VAL 8 -7.556 -0.607 -4.057 60 3HG1 VAL 8 3HG1 VAL 8 -8.942 -0.298 -3.011 61 1HG2 VAL 8 1HG2 VAL 8 -7.156 2.481 -5.564 62 2HG2 VAL 8 2HG2 VAL 8 -6.463 1.909 -4.046 63 3HG2 VAL 8 3HG2 VAL 8 -6.676 0.793 -5.397 64 H VAL 9 H VAL 9 -9.290 2.734 -7.739 65 HA VAL 9 HA VAL 9 -8.380 0.220 -9.084 66 HB VAL 9 HB VAL 9 -9.250 1.473 -11.186 67 1HG1 VAL 9 1HG1 VAL 9 -10.460 -0.270 -9.316 68 2HG1 VAL 9 2HG1 VAL 9 -11.684 0.930 -9.729 69 3HG1 VAL 9 3HG1 VAL 9 -10.921 -0.025 -11.000 70 1HG2 VAL 9 1HG2 VAL 9 -9.563 3.543 -9.468 71 2HG2 VAL 9 2HG2 VAL 9 -10.546 3.347 -10.920 72 3HG2 VAL 9 3HG2 VAL 9 -11.169 2.821 -9.356 73 H SER 10 H SER 10 -7.220 1.019 -11.310 74 HA SER 10 HA SER 10 -5.571 3.413 -10.929 75 1HB SER 10 1HB SER 10 -3.834 1.084 -11.326 76 2HB SER 10 2HB SER 10 -3.640 2.456 -10.241 77 HG SER 10 HG SER 10 -5.067 0.052 -9.866 78 H ALA 11 H ALA 11 -5.728 4.230 -12.960 79 HA ALA 11 HA ALA 11 -5.729 4.338 -15.304 80 1HB ALA 11 1HB ALA 11 -3.744 2.116 -14.778 81 2HB ALA 11 2HB ALA 11 -4.056 2.750 -16.394 82 3HB ALA 11 3HB ALA 11 -3.401 3.807 -15.143 83 H GLU 12 H GLU 12 -5.132 0.877 -15.393 84 HA GLU 12 HA GLU 12 -7.986 0.430 -16.143 85 1HB GLU 12 1HB GLU 12 -7.318 -0.901 -18.061 86 2HB GLU 12 2HB GLU 12 -6.555 0.684 -18.193 87 1HG GLU 12 1HG GLU 12 -4.818 -0.973 -16.657 88 2HG GLU 12 2HG GLU 12 -5.293 -1.886 -18.090 89 H GLN 13 H GLN 13 -7.496 -0.285 -13.704 90 HA GLN 13 HA GLN 13 -7.437 -3.206 -13.767 91 1HB GLN 13 1HB GLN 13 -5.076 -1.647 -12.951 92 2HB GLN 13 2HB GLN 13 -5.597 -2.831 -11.752 93 1HG GLN 13 1HG GLN 13 -5.786 -4.134 -14.246 94 2HG GLN 13 2HG GLN 13 -4.245 -3.276 -14.267 95 1HE2 GLN 13 2HE2 GLN 13 -4.320 -6.128 -14.124 96 2HE2 GLN 13 1HE2 GLN 13 -3.752 -6.608 -12.598 97 H GLN 14 H GLN 14 -8.517 -4.055 -11.971 98 HA GLN 14 HA GLN 14 -9.626 -2.019 -10.091 99 1HB GLN 14 1HB GLN 14 -11.457 -3.598 -9.717 100 2HB GLN 14 2HB GLN 14 -11.266 -3.319 -11.448 101 1HG GLN 14 1HG GLN 14 -9.608 -5.405 -11.215 102 2HG GLN 14 2HG GLN 14 -10.660 -5.762 -9.845 103 1HE2 GLN 14 2HE2 GLN 14 -11.241 -7.688 -11.365 104 2HE2 GLN 14 1HE2 GLN 14 -12.487 -7.426 -12.487 105 H MET 15 H MET 15 -8.359 -1.986 -8.276 106 HA MET 15 HA MET 15 -6.991 -4.390 -7.330 107 1HB MET 15 1HB MET 15 -7.264 -1.585 -6.224 108 2HB MET 15 2HB MET 15 -6.374 -2.860 -5.390 109 1HG MET 15 1HG MET 15 -5.093 -3.176 -7.599 110 2HG MET 15 2HG MET 15 -5.779 -1.623 -8.078 111 1HE MET 15 1HE MET 15 -3.129 -3.180 -7.423 112 2HE MET 15 2HE MET 15 -1.967 -2.002 -6.819 113 3HE MET 15 3HE MET 15 -2.708 -3.149 -5.705 114 H PHE 16 H PHE 16 -9.386 -2.211 -5.774 115 HA PHE 16 HA PHE 16 -10.540 -4.647 -4.485 116 1HB PHE 16 1HB PHE 16 -9.132 -3.359 -2.866 117 2HB PHE 16 2HB PHE 16 -10.172 -1.960 -3.129 118 HD1 PHE 16 HD1 PHE 16 -12.181 -4.814 -3.496 119 HD2 PHE 16 HD2 PHE 16 -10.273 -2.445 -0.459 120 HE1 PHE 16 HE1 PHE 16 -13.760 -5.697 -1.812 121 HE2 PHE 16 HE2 PHE 16 -11.859 -3.323 1.216 122 HZ PHE 16 HZ PHE 16 -13.596 -4.959 0.544 123 H SER 17 H SER 17 -12.545 -4.820 -5.365 124 HA SER 17 HA SER 17 -14.254 -2.392 -5.319 125 1HB SER 17 1HB SER 17 -15.027 -2.689 -7.529 126 2HB SER 17 2HB SER 17 -13.293 -2.965 -7.662 127 HG SER 17 HG SER 17 -13.959 -5.267 -7.211 128 H GLY 18 H GLY 18 -15.350 -3.224 -3.503 129 1HA GLY 18 1HA GLY 18 -17.608 -4.845 -3.926 130 2HA GLY 18 2HA GLY 18 -16.341 -5.918 -3.325 131 H LEU 19 H LEU 19 -17.790 -6.158 -1.404 132 HA LEU 19 HA LEU 19 -18.220 -3.843 0.310 133 1HB LEU 19 1HB LEU 19 -18.517 -6.817 0.807 134 2HB LEU 19 2HB LEU 19 -18.997 -5.565 1.954 135 HG LEU 19 HG LEU 19 -20.087 -5.995 -0.838 136 1HD1 LEU 19 1HD1 LEU 19 -20.955 -7.427 1.040 137 2HD1 LEU 19 2HD1 LEU 19 -21.472 -5.952 1.857 138 3HD1 LEU 19 3HD1 LEU 19 -22.182 -6.396 0.305 139 1HD2 LEU 19 1HD2 LEU 19 -20.292 -3.680 1.081 140 2HD2 LEU 19 2HD2 LEU 19 -20.014 -3.651 -0.660 141 3HD2 LEU 19 3HD2 LEU 19 -21.617 -4.034 -0.029 142 H VAL 20 H VAL 20 -17.287 -3.659 2.494 143 HA VAL 20 HA VAL 20 -14.826 -5.152 3.074 144 HB VAL 20 HB VAL 20 -13.586 -3.668 1.835 145 1HG1 VAL 20 1HG1 VAL 20 -16.035 -2.008 2.058 146 2HG1 VAL 20 2HG1 VAL 20 -14.524 -1.151 1.755 147 3HG1 VAL 20 3HG1 VAL 20 -15.063 -2.404 0.638 148 1HG2 VAL 20 1HG2 VAL 20 -13.043 -3.182 4.252 149 2HG2 VAL 20 2HG2 VAL 20 -12.696 -1.850 3.150 150 3HG2 VAL 20 3HG2 VAL 20 -14.145 -1.804 4.158 151 H GLU 21 H GLU 21 -13.942 -4.493 5.218 152 HA GLU 21 HA GLU 21 -16.039 -3.173 6.889 153 1HB GLU 21 1HB GLU 21 -15.484 -5.788 7.087 154 2HB GLU 21 2HB GLU 21 -14.194 -5.170 8.119 155 1HG GLU 21 1HG GLU 21 -16.444 -3.704 8.885 156 2HG GLU 21 2HG GLU 21 -17.053 -5.342 8.651 157 H LYS 22 H LYS 22 -12.564 -3.767 6.408 158 HA LYS 22 HA LYS 22 -11.996 -1.119 7.515 159 1HB LYS 22 1HB LYS 22 -12.094 -2.232 9.618 160 2HB LYS 22 2HB LYS 22 -11.223 -3.636 9.000 161 1HG LYS 22 1HG LYS 22 -9.198 -2.655 9.290 162 2HG LYS 22 2HG LYS 22 -9.766 -1.096 8.694 163 1HD LYS 22 1HD LYS 22 -9.313 -0.670 10.966 164 2HD LYS 22 2HD LYS 22 -11.055 -0.953 10.946 165 1HE LYS 22 1HE LYS 22 -10.332 -2.305 12.725 166 2HE LYS 22 2HE LYS 22 -10.419 -3.442 11.380 167 1HZ LYS 22 1HZ LYS 22 -7.898 -2.108 11.501 168 2HZ LYS 22 2HZ LYS 22 -8.232 -2.948 12.939 169 3HZ LYS 22 3HZ LYS 22 -8.238 -3.769 11.452 170 H ILE 23 H ILE 23 -10.643 -0.429 5.933 171 HA ILE 23 HA ILE 23 -8.540 -2.303 4.933 172 HB ILE 23 HB ILE 23 -9.504 -1.518 2.987 173 1HG1 ILE 23 1HG1 ILE 23 -7.745 0.872 3.618 174 2HG1 ILE 23 2HG1 ILE 23 -7.133 -0.681 3.050 175 1HG2 ILE 23 1HG2 ILE 23 -10.094 1.058 4.458 176 2HG2 ILE 23 2HG2 ILE 23 -10.520 0.744 2.777 177 3HG2 ILE 23 3HG2 ILE 23 -11.242 -0.221 4.063 178 1HD1 ILE 23 1HD1 ILE 23 -9.241 0.005 1.301 179 2HD1 ILE 23 2HD1 ILE 23 -8.290 1.475 1.517 180 3HD1 ILE 23 3HD1 ILE 23 -7.515 -0.001 0.940 181 H GLN 24 H GLN 24 -6.322 -1.499 4.894 182 HA GLN 24 HA GLN 24 -5.872 0.947 6.546 183 1HB GLN 24 1HB GLN 24 -5.613 -1.062 7.983 184 2HB GLN 24 2HB GLN 24 -4.394 -1.682 6.869 185 1HG GLN 24 1HG GLN 24 -3.338 0.741 7.282 186 2HG GLN 24 2HG GLN 24 -4.215 0.581 8.804 187 1HE2 GLN 24 2HE2 GLN 24 -2.219 -1.613 6.728 188 2HE2 GLN 24 1HE2 GLN 24 -1.313 -2.241 8.019 189 H VAL 25 H VAL 25 -4.031 2.129 5.983 190 HA VAL 25 HA VAL 25 -2.409 1.068 3.714 191 HB VAL 25 HB VAL 25 -3.190 3.974 3.901 192 1HG1 VAL 25 1HG1 VAL 25 -1.313 2.764 2.402 193 2HG1 VAL 25 2HG1 VAL 25 -2.707 2.516 1.351 194 3HG1 VAL 25 3HG1 VAL 25 -2.235 4.149 1.820 195 1HG2 VAL 25 1HG2 VAL 25 -5.154 2.173 3.691 196 2HG2 VAL 25 2HG2 VAL 25 -5.163 3.650 2.730 197 3HG2 VAL 25 3HG2 VAL 25 -4.611 2.137 2.015 198 H THR 26 H THR 26 -0.286 1.162 4.205 199 HA THR 26 HA THR 26 0.566 3.081 6.337 200 HB THR 26 HB THR 26 1.739 0.380 5.601 201 HG1 THR 26 HG1 THR 26 1.019 -0.074 7.768 202 1HG2 THR 26 1HG2 THR 26 3.148 2.484 6.560 203 2HG2 THR 26 2HG2 THR 26 2.537 1.812 8.073 204 3HG2 THR 26 3HG2 THR 26 3.502 0.810 6.990 205 H GLY 27 H GLY 27 1.254 4.788 5.033 206 1HA GLY 27 1HA GLY 27 3.203 4.139 2.874 207 2HA GLY 27 2HA GLY 27 2.326 5.664 3.017 208 H SER 28 H SER 28 3.216 7.305 4.257 209 HA SER 28 HA SER 28 5.713 6.641 5.760 210 1HB SER 28 1HB SER 28 5.208 8.946 3.863 211 2HB SER 28 2HB SER 28 6.549 8.919 5.005 212 HG SER 28 HG SER 28 6.009 7.172 2.844 213 H GLU 29 H GLU 29 4.083 9.759 5.275 214 HA GLU 29 HA GLU 29 4.137 10.345 8.096 215 1HB GLU 29 1HB GLU 29 2.580 11.638 5.836 216 2HB GLU 29 2HB GLU 29 2.732 12.304 7.462 217 1HG GLU 29 1HG GLU 29 5.048 12.689 7.220 218 2HG GLU 29 2HG GLU 29 5.175 11.587 5.847 219 H GLY 30 H GLY 30 1.104 10.629 6.323 220 1HA GLY 30 1HA GLY 30 -0.518 9.818 8.489 221 2HA GLY 30 2HA GLY 30 -1.031 9.779 6.801 222 H GLU 31 H GLU 31 -1.901 7.782 8.521 223 HA GLU 31 HA GLU 31 -0.750 5.417 7.211 224 1HB GLU 31 1HB GLU 31 -0.302 4.249 9.357 225 2HB GLU 31 2HB GLU 31 0.743 5.654 9.142 226 1HG GLU 31 1HG GLU 31 -0.399 6.916 10.739 227 2HG GLU 31 2HG GLU 31 -1.878 5.966 10.578 228 H LEU 32 H LEU 32 -3.353 6.786 7.320 229 HA LEU 32 HA LEU 32 -5.007 4.778 8.775 230 1HB LEU 32 1HB LEU 32 -5.500 7.568 7.785 231 2HB LEU 32 2HB LEU 32 -6.873 6.469 7.964 232 HG LEU 32 HG LEU 32 -4.896 6.701 10.211 233 1HD1 LEU 32 1HD1 LEU 32 -6.851 8.779 9.308 234 2HD1 LEU 32 2HD1 LEU 32 -6.678 8.494 11.039 235 3HD1 LEU 32 3HD1 LEU 32 -5.279 8.981 10.082 236 1HD2 LEU 32 1HD2 LEU 32 -7.782 5.962 9.806 237 2HD2 LEU 32 2HD2 LEU 32 -6.516 5.072 10.651 238 3HD2 LEU 32 3HD2 LEU 32 -7.241 6.496 11.397 239 H GLY 33 H GLY 33 -6.650 3.639 7.650 240 1HA GLY 33 1HA GLY 33 -6.138 3.383 4.732 241 2HA GLY 33 2HA GLY 33 -6.960 2.185 5.732 242 H ILE 34 H ILE 34 -9.146 2.173 5.617 243 HA ILE 34 HA ILE 34 -10.609 4.696 5.291 244 HB ILE 34 HB ILE 34 -10.605 2.551 3.155 245 1HG1 ILE 34 1HG1 ILE 34 -8.953 4.393 2.964 246 2HG1 ILE 34 2HG1 ILE 34 -10.172 4.487 1.693 247 1HG2 ILE 34 1HG2 ILE 34 -12.939 3.231 3.870 248 2HG2 ILE 34 2HG2 ILE 34 -12.528 4.880 3.407 249 3HG2 ILE 34 3HG2 ILE 34 -12.552 3.602 2.192 250 1HD1 ILE 34 1HD1 ILE 34 -11.460 6.007 3.378 251 2HD1 ILE 34 2HD1 ILE 34 -9.885 6.189 4.158 252 3HD1 ILE 34 3HD1 ILE 34 -10.104 6.695 2.481 253 H TYR 35 H TYR 35 -12.767 4.505 5.932 254 HA TYR 35 HA TYR 35 -13.930 1.884 6.538 255 1HB TYR 35 1HB TYR 35 -13.805 3.714 8.893 256 2HB TYR 35 2HB TYR 35 -13.847 1.956 8.844 257 HD1 TYR 35 HD1 TYR 35 -11.613 4.875 8.094 258 HD2 TYR 35 HD2 TYR 35 -11.885 0.703 9.088 259 HE1 TYR 35 HE1 TYR 35 -9.157 4.788 8.407 260 HE2 TYR 35 HE2 TYR 35 -9.427 0.618 9.397 261 HH TYR 35 HH TYR 35 -7.483 1.740 8.970 262 HA PRO 36 HA PRO 36 -17.633 4.293 6.285 263 1HB PRO 36 1HB PRO 36 -19.164 3.596 8.458 264 2HB PRO 36 2HB PRO 36 -18.878 2.523 7.077 265 1HG PRO 36 1HG PRO 36 -17.745 2.381 9.823 266 2HG PRO 36 2HG PRO 36 -17.946 1.093 8.625 267 1HD PRO 36 1HD PRO 36 -15.536 2.473 9.252 268 2HD PRO 36 2HD PRO 36 -15.782 1.334 7.909 269 H GLY 37 H GLY 37 -15.430 5.618 7.877 270 1HA GLY 37 1HA GLY 37 -16.976 7.878 8.845 271 2HA GLY 37 2HA GLY 37 -16.178 6.993 10.148 272 H HIS 38 H HIS 38 -14.751 7.112 6.969 273 HA HIS 38 HA HIS 38 -12.286 8.207 8.002 274 1HB HIS 38 1HB HIS 38 -12.216 6.709 6.101 275 2HB HIS 38 2HB HIS 38 -13.281 7.763 5.172 276 HD1 HIS 38 HD1 HIS 38 -10.020 8.322 7.096 277 HD2 HIS 38 HD2 HIS 38 -11.749 9.220 3.411 278 HE1 HIS 38 HE1 HIS 38 -8.308 9.676 5.812 279 H ALA 39 H ALA 39 -15.194 9.695 7.284 280 HA ALA 39 HA ALA 39 -15.711 11.999 7.296 281 1HB ALA 39 1HB ALA 39 -13.178 11.960 8.371 282 2HB ALA 39 2HB ALA 39 -12.953 12.964 6.939 283 3HB ALA 39 3HB ALA 39 -14.153 13.413 8.151 284 HA PRO 40 HA PRO 40 -15.550 12.995 3.028 285 1HB PRO 40 1HB PRO 40 -15.802 15.731 3.086 286 2HB PRO 40 2HB PRO 40 -17.135 14.617 3.439 287 1HG PRO 40 1HG PRO 40 -15.526 16.277 5.324 288 2HG PRO 40 2HG PRO 40 -17.184 15.676 5.493 289 1HD PRO 40 1HD PRO 40 -14.888 14.578 6.733 290 2HD PRO 40 2HD PRO 40 -16.484 13.806 6.620 291 H LEU 41 H LEU 41 -13.126 12.351 3.097 292 HA LEU 41 HA LEU 41 -11.300 14.684 2.908 293 1HB LEU 41 1HB LEU 41 -11.022 11.900 3.651 294 2HB LEU 41 2HB LEU 41 -9.887 12.302 2.362 295 HG LEU 41 HG LEU 41 -8.929 12.736 4.615 296 1HD1 LEU 41 1HD1 LEU 41 -9.501 15.207 2.950 297 2HD1 LEU 41 2HD1 LEU 41 -8.225 15.076 4.162 298 3HD1 LEU 41 3HD1 LEU 41 -8.167 14.077 2.709 299 1HD2 LEU 41 1HD2 LEU 41 -11.264 13.381 5.533 300 2HD2 LEU 41 2HD2 LEU 41 -9.880 14.314 6.104 301 3HD2 LEU 41 3HD2 LEU 41 -10.937 14.978 4.858 302 H LEU 42 H LEU 42 -10.267 15.242 0.974 303 HA LEU 42 HA LEU 42 -10.876 13.594 -1.428 304 1HB LEU 42 1HB LEU 42 -11.117 16.591 -1.565 305 2HB LEU 42 2HB LEU 42 -11.796 15.374 -2.647 306 HG LEU 42 HG LEU 42 -13.027 14.637 -0.375 307 1HD1 LEU 42 1HD1 LEU 42 -11.938 16.430 0.940 308 2HD1 LEU 42 2HD1 LEU 42 -12.653 17.637 -0.128 309 3HD1 LEU 42 3HD1 LEU 42 -13.688 16.638 0.892 310 1HD2 LEU 42 1HD2 LEU 42 -13.998 15.341 -2.618 311 2HD2 LEU 42 2HD2 LEU 42 -14.977 15.768 -1.215 312 3HD2 LEU 42 3HD2 LEU 42 -13.993 16.997 -2.012 313 H THR 43 H THR 43 -8.432 14.015 0.154 314 HA THR 43 HA THR 43 -6.773 15.628 -1.720 315 HB THR 43 HB THR 43 -6.665 15.897 0.847 316 HG1 THR 43 HG1 THR 43 -4.832 16.742 0.349 317 1HG2 THR 43 1HG2 THR 43 -6.230 13.131 0.681 318 2HG2 THR 43 2HG2 THR 43 -4.659 13.818 1.094 319 3HG2 THR 43 3HG2 THR 43 -6.060 14.142 2.116 320 H ALA 44 H ALA 44 -4.325 14.168 -1.138 321 HA ALA 44 HA ALA 44 -4.890 11.722 -2.753 322 1HB ALA 44 1HB ALA 44 -2.865 13.787 -2.908 323 2HB ALA 44 2HB ALA 44 -2.118 12.200 -2.729 324 3HB ALA 44 3HB ALA 44 -3.233 12.504 -4.061 325 H ILE 45 H ILE 45 -2.850 10.106 -2.325 326 HA ILE 45 HA ILE 45 -2.624 9.810 0.645 327 HB ILE 45 HB ILE 45 -2.763 7.453 -1.232 328 1HG1 ILE 45 1HG1 ILE 45 -5.236 7.387 -0.434 329 2HG1 ILE 45 2HG1 ILE 45 -5.021 9.106 -0.099 330 1HG2 ILE 45 1HG2 ILE 45 -2.760 7.970 1.677 331 2HG2 ILE 45 2HG2 ILE 45 -3.950 6.783 1.142 332 3HG2 ILE 45 3HG2 ILE 45 -2.239 6.540 0.787 333 1HD1 ILE 45 1HD1 ILE 45 -4.014 8.286 -2.738 334 2HD1 ILE 45 2HD1 ILE 45 -5.753 8.061 -2.543 335 3HD1 ILE 45 3HD1 ILE 45 -5.036 9.654 -2.299 336 H LYS 46 H LYS 46 -0.801 8.016 1.047 337 HA LYS 46 HA LYS 46 1.529 8.857 -0.623 338 1HB LYS 46 1HB LYS 46 1.158 8.258 2.266 339 2HB LYS 46 2HB LYS 46 2.678 7.724 1.548 340 1HG LYS 46 1HG LYS 46 3.062 9.954 2.335 341 2HG LYS 46 2HG LYS 46 2.900 10.074 0.583 342 1HD LYS 46 1HD LYS 46 1.517 11.811 1.368 343 2HD LYS 46 2HD LYS 46 0.381 10.496 1.067 344 1HE LYS 46 1HE LYS 46 1.301 10.073 3.685 345 2HE LYS 46 2HE LYS 46 1.029 11.812 3.570 346 1HZ LYS 46 1HZ LYS 46 -0.950 9.802 2.661 347 2HZ LYS 46 2HZ LYS 46 -0.949 10.453 4.227 348 3HZ LYS 46 3HZ LYS 46 -1.189 11.469 2.886 349 HA PRO 47 HA PRO 47 2.199 4.716 -1.913 350 1HB PRO 47 1HB PRO 47 4.945 4.576 -1.884 351 2HB PRO 47 2HB PRO 47 4.024 5.479 -3.098 352 1HG PRO 47 1HG PRO 47 5.600 6.512 -0.786 353 2HG PRO 47 2HG PRO 47 5.212 7.304 -2.322 354 1HD PRO 47 1HD PRO 47 3.934 7.781 0.159 355 2HD PRO 47 2HD PRO 47 3.350 8.306 -1.436 356 H GLY 48 H GLY 48 2.355 2.649 -1.005 357 1HA GLY 48 1HA GLY 48 4.094 1.739 0.978 358 2HA GLY 48 2HA GLY 48 2.729 2.429 1.857 359 H MET 49 H MET 49 2.407 0.142 2.575 360 HA MET 49 HA MET 49 1.220 -1.603 0.472 361 1HB MET 49 1HB MET 49 1.247 -3.323 2.352 362 2HB MET 49 2HB MET 49 2.832 -2.777 1.804 363 1HG MET 49 1HG MET 49 3.132 -1.383 3.694 364 2HG MET 49 2HG MET 49 1.418 -1.433 4.107 365 1HE MET 49 1HE MET 49 0.230 -3.494 4.164 366 2HE MET 49 2HE MET 49 0.762 -5.038 4.825 367 3HE MET 49 3HE MET 49 0.442 -3.673 5.904 368 H ILE 50 H ILE 50 -0.612 -3.060 1.887 369 HA ILE 50 HA ILE 50 -2.351 -1.269 3.426 370 HB ILE 50 HB ILE 50 -3.062 -2.162 0.625 371 1HG1 ILE 50 1HG1 ILE 50 -2.981 0.519 2.039 372 2HG1 ILE 50 2HG1 ILE 50 -1.917 -0.020 0.742 373 1HG2 ILE 50 1HG2 ILE 50 -4.759 -1.927 2.952 374 2HG2 ILE 50 2HG2 ILE 50 -5.193 -0.701 1.761 375 3HG2 ILE 50 3HG2 ILE 50 -5.191 -2.408 1.312 376 1HD1 ILE 50 1HD1 ILE 50 -4.921 0.211 0.445 377 2HD1 ILE 50 2HD1 ILE 50 -3.798 1.492 -0.012 378 3HD1 ILE 50 3HD1 ILE 50 -3.739 -0.067 -0.835 379 H ARG 51 H ARG 51 -3.774 -2.420 4.686 380 HA ARG 51 HA ARG 51 -4.061 -5.351 4.169 381 1HB ARG 51 1HB ARG 51 -2.498 -5.274 5.972 382 2HB ARG 51 2HB ARG 51 -3.343 -3.935 6.750 383 1HG ARG 51 1HG ARG 51 -5.127 -5.322 7.458 384 2HG ARG 51 2HG ARG 51 -4.682 -6.608 6.336 385 1HD ARG 51 1HD ARG 51 -3.750 -7.495 8.242 386 2HD ARG 51 2HD ARG 51 -2.394 -6.486 7.738 387 HE ARG 51 HE ARG 51 -3.495 -4.722 9.311 388 1HH1 ARG 51 1HH2 ARG 51 -1.989 -7.371 10.298 389 2HH1 ARG 51 2HH2 ARG 51 -2.904 -7.662 11.740 390 1HH2 ARG 51 1HH1 ARG 51 -5.413 -5.413 10.916 391 2HH2 ARG 51 2HH1 ARG 51 -4.843 -6.554 12.089 392 H ILE 52 H ILE 52 -6.238 -5.731 3.899 393 HA ILE 52 HA ILE 52 -8.128 -3.981 5.425 394 HB ILE 52 HB ILE 52 -8.686 -5.230 2.742 395 1HG1 ILE 52 1HG1 ILE 52 -7.679 -2.437 3.334 396 2HG1 ILE 52 2HG1 ILE 52 -6.762 -3.709 2.533 397 1HG2 ILE 52 1HG2 ILE 52 -10.059 -3.260 4.531 398 2HG2 ILE 52 2HG2 ILE 52 -10.303 -3.166 2.787 399 3HG2 ILE 52 3HG2 ILE 52 -10.734 -4.635 3.657 400 1HD1 ILE 52 1HD1 ILE 52 -9.445 -2.985 1.424 401 2HD1 ILE 52 2HD1 ILE 52 -8.087 -1.902 1.113 402 3HD1 ILE 52 3HD1 ILE 52 -8.012 -3.585 0.589 403 H VAL 53 H VAL 53 -10.350 -5.005 5.588 404 HA VAL 53 HA VAL 53 -10.213 -7.967 5.865 405 HB VAL 53 HB VAL 53 -11.093 -5.933 7.926 406 1HG1 VAL 53 1HG1 VAL 53 -12.857 -7.666 7.634 407 2HG1 VAL 53 2HG1 VAL 53 -11.646 -8.914 7.930 408 3HG1 VAL 53 3HG1 VAL 53 -12.067 -7.772 9.207 409 1HG2 VAL 53 1HG2 VAL 53 -8.701 -7.165 7.603 410 2HG2 VAL 53 2HG2 VAL 53 -9.345 -6.723 9.184 411 3HG2 VAL 53 3HG2 VAL 53 -9.529 -8.372 8.588 412 H LYS 54 H LYS 54 -11.617 -8.401 4.174 413 HA LYS 54 HA LYS 54 -13.861 -6.811 3.433 414 1HB LYS 54 1HB LYS 54 -14.658 -9.064 2.401 415 2HB LYS 54 2HB LYS 54 -13.158 -8.355 1.803 416 1HG LYS 54 1HG LYS 54 -11.952 -10.116 2.525 417 2HG LYS 54 2HG LYS 54 -12.667 -10.015 4.135 418 1HD LYS 54 1HD LYS 54 -13.251 -12.169 3.207 419 2HD LYS 54 2HD LYS 54 -14.707 -11.175 3.218 420 1HE LYS 54 1HE LYS 54 -14.817 -11.083 0.944 421 2HE LYS 54 2HE LYS 54 -13.068 -10.945 0.769 422 1HZ LYS 54 1HZ LYS 54 -13.488 -13.462 1.770 423 2HZ LYS 54 2HZ LYS 54 -14.718 -13.261 0.617 424 3HZ LYS 54 3HZ LYS 54 -13.091 -13.065 0.166 425 H GLN 55 H GLN 55 -15.691 -6.463 4.581 426 HA GLN 55 HA GLN 55 -17.294 -6.746 6.294 427 1HB GLN 55 1HB GLN 55 -17.236 -9.397 4.843 428 2HB GLN 55 2HB GLN 55 -18.416 -9.044 6.106 429 1HG GLN 55 1HG GLN 55 -19.483 -7.410 4.846 430 2HG GLN 55 2HG GLN 55 -18.042 -7.063 3.888 431 1HE2 GLN 55 2HE2 GLN 55 -21.001 -8.797 3.891 432 2HE2 GLN 55 1HE2 GLN 55 -20.702 -9.766 2.530 433 H HIS 56 H HIS 56 -16.479 -10.142 6.537 434 HA HIS 56 HA HIS 56 -14.787 -9.705 8.910 435 1HB HIS 56 1HB HIS 56 -17.632 -10.300 9.084 436 2HB HIS 56 2HB HIS 56 -16.662 -11.559 9.848 437 HD1 HIS 56 HD1 HIS 56 -17.536 -7.921 10.110 438 HD2 HIS 56 HD2 HIS 56 -15.167 -10.699 12.120 439 HE1 HIS 56 HE1 HIS 56 -16.827 -6.821 12.278 440 H GLY 57 H GLY 57 -13.560 -10.808 6.988 441 1HA GLY 57 1HA GLY 57 -13.527 -13.706 7.580 442 2HA GLY 57 2HA GLY 57 -13.780 -13.246 5.896 443 H HIS 58 H HIS 58 -11.882 -13.518 4.816 444 HA HIS 58 HA HIS 58 -9.305 -13.419 6.112 445 1HB HIS 58 1HB HIS 58 -9.876 -13.174 3.145 446 2HB HIS 58 2HB HIS 58 -8.379 -13.720 3.901 447 HD1 HIS 58 HD1 HIS 58 -10.448 -15.374 1.962 448 HD2 HIS 58 HD2 HIS 58 -9.880 -15.839 6.066 449 HE1 HIS 58 HE1 HIS 58 -11.222 -17.717 2.531 450 H GLU 59 H GLU 59 -7.707 -11.899 4.414 451 HA GLU 59 HA GLU 59 -8.790 -9.130 4.730 452 1HB GLU 59 1HB GLU 59 -6.010 -10.118 5.440 453 2HB GLU 59 2HB GLU 59 -6.494 -8.421 5.414 454 1HG GLU 59 1HG GLU 59 -6.898 -8.869 7.638 455 2HG GLU 59 2HG GLU 59 -8.457 -9.355 6.972 456 H GLU 60 H GLU 60 -7.026 -7.600 3.527 457 HA GLU 60 HA GLU 60 -6.356 -8.930 0.937 458 1HB GLU 60 1HB GLU 60 -7.789 -6.316 1.417 459 2HB GLU 60 2HB GLU 60 -6.972 -6.662 -0.107 460 1HG GLU 60 1HG GLU 60 -9.021 -8.525 1.111 461 2HG GLU 60 2HG GLU 60 -9.447 -7.257 -0.039 462 H PHE 61 H PHE 61 -4.363 -8.402 0.121 463 HA PHE 61 HA PHE 61 -2.767 -6.402 1.671 464 1HB PHE 61 1HB PHE 61 -2.202 -9.092 0.642 465 2HB PHE 61 2HB PHE 61 -0.968 -7.912 0.203 466 HD1 PHE 61 HD1 PHE 61 -2.965 -7.395 3.232 467 HD2 PHE 61 HD2 PHE 61 0.681 -9.035 1.660 468 HE1 PHE 61 HE1 PHE 61 -2.030 -7.519 5.526 469 HE2 PHE 61 HE2 PHE 61 1.616 -9.159 3.952 470 HZ PHE 61 HZ PHE 61 0.261 -8.402 5.885 471 H ILE 62 H ILE 62 -3.139 -4.539 0.431 472 HA ILE 62 HA ILE 62 -2.537 -4.763 -2.489 473 HB ILE 62 HB ILE 62 -4.198 -2.765 -0.933 474 1HG1 ILE 62 1HG1 ILE 62 -5.332 -4.009 -3.315 475 2HG1 ILE 62 2HG1 ILE 62 -4.817 -5.214 -2.134 476 1HG2 ILE 62 1HG2 ILE 62 -3.316 -2.739 -3.836 477 2HG2 ILE 62 2HG2 ILE 62 -4.599 -1.720 -3.183 478 3HG2 ILE 62 3HG2 ILE 62 -2.943 -1.528 -2.609 479 1HD1 ILE 62 1HD1 ILE 62 -6.529 -2.811 -1.446 480 2HD1 ILE 62 2HD1 ILE 62 -7.184 -4.409 -1.807 481 3HD1 ILE 62 3HD1 ILE 62 -6.146 -4.178 -0.400 482 H TYR 63 H TYR 63 -1.376 -2.897 -3.437 483 HA TYR 63 HA TYR 63 0.159 -1.184 -1.605 484 1HB TYR 63 1HB TYR 63 1.702 -2.947 -1.491 485 2HB TYR 63 2HB TYR 63 1.360 -3.482 -3.134 486 HD1 TYR 63 HD1 TYR 63 2.166 -2.107 -5.081 487 HD2 TYR 63 HD2 TYR 63 3.399 -1.321 -1.043 488 HE1 TYR 63 HE1 TYR 63 4.073 -0.768 -5.927 489 HE2 TYR 63 HE2 TYR 63 5.308 0.020 -1.888 490 HH TYR 63 HH TYR 63 6.159 0.078 -5.267 491 H LEU 64 H LEU 64 0.838 0.698 -2.675 492 HA LEU 64 HA LEU 64 0.992 0.841 -5.574 493 1HB LEU 64 1HB LEU 64 -0.906 2.406 -5.870 494 2HB LEU 64 2HB LEU 64 -1.452 0.822 -5.316 495 HG LEU 64 HG LEU 64 -0.816 2.422 -3.023 496 1HD1 LEU 64 1HD1 LEU 64 -1.819 3.956 -5.220 497 2HD1 LEU 64 2HD1 LEU 64 -3.097 3.823 -4.012 498 3HD1 LEU 64 3HD1 LEU 64 -1.526 4.487 -3.564 499 1HD2 LEU 64 1HD2 LEU 64 -2.548 0.469 -3.605 500 2HD2 LEU 64 2HD2 LEU 64 -2.852 1.605 -2.291 501 3HD2 LEU 64 3HD2 LEU 64 -3.627 1.840 -3.858 502 H SER 65 H SER 65 0.737 3.497 -6.026 503 HA SER 65 HA SER 65 1.945 5.083 -3.888 504 1HB SER 65 1HB SER 65 4.015 4.170 -4.504 505 2HB SER 65 2HB SER 65 3.563 4.043 -6.202 506 HG SER 65 HG SER 65 5.009 5.794 -5.750 507 H GLY 66 H GLY 66 1.589 7.270 -4.278 508 1HA GLY 66 1HA GLY 66 0.749 9.174 -5.363 509 2HA GLY 66 2HA GLY 66 1.288 8.438 -6.873 510 H GLY 67 H GLY 67 -1.395 9.641 -5.505 511 1HA GLY 67 1HA GLY 67 -3.248 8.770 -7.367 512 2HA GLY 67 2HA GLY 67 -3.325 7.543 -6.100 513 H ILE 68 H ILE 68 -5.503 9.280 -6.723 514 HA ILE 68 HA ILE 68 -5.530 11.142 -4.391 515 HB ILE 68 HB ILE 68 -7.485 11.022 -6.701 516 1HG1 ILE 68 1HG1 ILE 68 -5.375 13.136 -6.406 517 2HG1 ILE 68 2HG1 ILE 68 -4.939 11.592 -7.141 518 1HG2 ILE 68 1HG2 ILE 68 -7.101 12.725 -4.287 519 2HG2 ILE 68 2HG2 ILE 68 -7.566 13.548 -5.776 520 3HG2 ILE 68 3HG2 ILE 68 -8.589 12.272 -5.118 521 1HD1 ILE 68 1HD1 ILE 68 -7.221 13.377 -8.041 522 2HD1 ILE 68 2HD1 ILE 68 -5.661 13.229 -8.851 523 3HD1 ILE 68 3HD1 ILE 68 -6.755 11.847 -8.783 524 H LEU 69 H LEU 69 -6.661 10.487 -2.633 525 HA LEU 69 HA LEU 69 -8.594 8.262 -2.956 526 1HB LEU 69 1HB LEU 69 -7.047 7.660 -1.289 527 2HB LEU 69 2HB LEU 69 -6.968 9.296 -0.642 528 HG LEU 69 HG LEU 69 -8.277 7.496 0.702 529 1HD1 LEU 69 1HD1 LEU 69 -8.407 10.218 0.599 530 2HD1 LEU 69 2HD1 LEU 69 -10.087 9.794 0.275 531 3HD1 LEU 69 3HD1 LEU 69 -9.305 9.232 1.753 532 1HD2 LEU 69 1HD2 LEU 69 -9.674 7.348 -1.747 533 2HD2 LEU 69 2HD2 LEU 69 -10.118 6.583 -0.224 534 3HD2 LEU 69 3HD2 LEU 69 -10.760 8.173 -0.631 535 H GLU 70 H GLU 70 -10.713 8.666 -2.779 536 HA GLU 70 HA GLU 70 -11.592 11.154 -1.384 537 1HB GLU 70 1HB GLU 70 -13.409 11.320 -3.151 538 2HB GLU 70 2HB GLU 70 -11.780 11.673 -3.727 539 1HG GLU 70 1HG GLU 70 -11.772 9.059 -4.231 540 2HG GLU 70 2HG GLU 70 -13.517 9.303 -4.285 541 H VAL 71 H VAL 71 -13.567 10.936 -0.244 542 HA VAL 71 HA VAL 71 -14.434 8.109 0.120 543 HB VAL 71 HB VAL 71 -13.684 9.413 2.122 544 1HG1 VAL 71 1HG1 VAL 71 -15.990 11.139 1.234 545 2HG1 VAL 71 2HG1 VAL 71 -15.508 11.083 2.929 546 3HG1 VAL 71 3HG1 VAL 71 -14.362 11.629 1.705 547 1HG2 VAL 71 1HG2 VAL 71 -15.637 7.598 1.967 548 2HG2 VAL 71 2HG2 VAL 71 -15.269 8.420 3.484 549 3HG2 VAL 71 3HG2 VAL 71 -16.619 8.969 2.489 550 H GLN 72 H GLN 72 -16.808 7.776 0.480 551 HA GLN 72 HA GLN 72 -18.524 9.791 -0.872 552 1HB GLN 72 1HB GLN 72 -17.713 7.239 -1.990 553 2HB GLN 72 2HB GLN 72 -19.462 7.293 -1.769 554 1HG GLN 72 1HG GLN 72 -19.425 9.568 -2.898 555 2HG GLN 72 2HG GLN 72 -17.742 9.245 -3.317 556 1HE2 GLN 72 2HE2 GLN 72 -21.085 8.144 -3.868 557 2HE2 GLN 72 1HE2 GLN 72 -20.733 7.233 -5.256 558 HA PRO 73 HA PRO 73 -21.525 8.560 2.081 559 1HB PRO 73 1HB PRO 73 -23.851 8.586 0.617 560 2HB PRO 73 2HB PRO 73 -22.988 10.054 1.110 561 1HG PRO 73 1HG PRO 73 -23.139 8.781 -1.581 562 2HG PRO 73 2HG PRO 73 -22.854 10.477 -1.158 563 1HD PRO 73 1HD PRO 73 -20.877 8.607 -1.948 564 2HD PRO 73 2HD PRO 73 -20.579 10.200 -1.219 565 H GLY 74 H GLY 74 -20.600 6.289 2.169 566 1HA GLY 74 1HA GLY 74 -21.686 4.108 2.614 567 2HA GLY 74 2HA GLY 74 -22.604 4.333 1.124 568 H ASN 75 H ASN 75 -19.824 5.473 0.109 569 HA ASN 75 HA ASN 75 -18.359 2.922 -0.186 570 1HB ASN 75 1HB ASN 75 -18.373 3.044 -2.644 571 2HB ASN 75 2HB ASN 75 -20.018 2.895 -2.027 572 1HD2 ASN 75 2HD2 ASN 75 -21.310 4.959 -1.903 573 2HD2 ASN 75 1HD2 ASN 75 -20.952 6.222 -2.980 574 H VAL 76 H VAL 76 -16.317 3.380 -1.598 575 HA VAL 76 HA VAL 76 -15.423 6.192 -1.407 576 HB VAL 76 HB VAL 76 -14.717 5.304 0.721 577 1HG1 VAL 76 1HG1 VAL 76 -14.103 2.909 -0.949 578 2HG1 VAL 76 2HG1 VAL 76 -13.060 3.215 0.438 579 3HG1 VAL 76 3HG1 VAL 76 -14.795 3.000 0.670 580 1HG2 VAL 76 1HG2 VAL 76 -12.519 5.326 -1.356 581 2HG2 VAL 76 2HG2 VAL 76 -13.012 6.647 -0.299 582 3HG2 VAL 76 3HG2 VAL 76 -12.197 5.236 0.375 583 H THR 77 H THR 77 -13.626 6.621 -2.826 584 HA THR 77 HA THR 77 -12.821 4.356 -4.586 585 HB THR 77 HB THR 77 -13.132 5.733 -6.579 586 HG1 THR 77 HG1 THR 77 -14.378 7.763 -6.109 587 1HG2 THR 77 1HG2 THR 77 -15.564 5.712 -4.773 588 2HG2 THR 77 2HG2 THR 77 -15.610 5.955 -6.518 589 3HG2 THR 77 3HG2 THR 77 -15.055 4.418 -5.857 590 H VAL 78 H VAL 78 -10.939 5.155 -6.058 591 HA VAL 78 HA VAL 78 -9.343 7.392 -5.314 592 HB VAL 78 HB VAL 78 -8.865 6.483 -3.197 593 1HG1 VAL 78 1HG1 VAL 78 -9.694 4.070 -4.365 594 2HG1 VAL 78 2HG1 VAL 78 -8.027 3.783 -3.868 595 3HG1 VAL 78 3HG1 VAL 78 -9.222 4.318 -2.686 596 1HG2 VAL 78 1HG2 VAL 78 -6.790 7.015 -4.439 597 2HG2 VAL 78 2HG2 VAL 78 -6.537 5.690 -3.304 598 3HG2 VAL 78 3HG2 VAL 78 -6.721 5.353 -5.025 599 H LEU 79 H LEU 79 -8.019 7.689 -7.032 600 HA LEU 79 HA LEU 79 -7.437 5.327 -8.761 601 1HB LEU 79 1HB LEU 79 -7.959 8.201 -9.258 602 2HB LEU 79 2HB LEU 79 -6.686 7.486 -10.247 603 HG LEU 79 HG LEU 79 -8.291 5.610 -10.795 604 1HD1 LEU 79 1HD1 LEU 79 -10.207 7.496 -9.393 605 2HD1 LEU 79 2HD1 LEU 79 -10.720 6.167 -10.433 606 3HD1 LEU 79 3HD1 LEU 79 -9.838 5.832 -8.943 607 1HD2 LEU 79 1HD2 LEU 79 -8.124 8.257 -11.812 608 2HD2 LEU 79 2HD2 LEU 79 -8.649 6.809 -12.670 609 3HD2 LEU 79 3HD2 LEU 79 -9.831 7.813 -11.832 610 H ALA 80 H ALA 80 -5.318 4.695 -9.054 611 HA ALA 80 HA ALA 80 -3.197 6.521 -8.003 612 1HB ALA 80 1HB ALA 80 -3.883 3.784 -7.182 613 2HB ALA 80 2HB ALA 80 -2.179 3.994 -7.582 614 3HB ALA 80 3HB ALA 80 -2.923 5.003 -6.342 615 H ASP 81 H ASP 81 -0.945 5.437 -8.753 616 HA ASP 81 HA ASP 81 -1.277 4.779 -11.654 617 1HB ASP 81 1HB ASP 81 -0.333 7.044 -11.259 618 2HB ASP 81 2HB ASP 81 0.979 6.319 -10.330 619 H THR 82 H THR 82 0.395 4.075 -8.646 620 HA THR 82 HA THR 82 1.948 1.933 -10.011 621 HB THR 82 HB THR 82 2.194 3.127 -7.235 622 HG1 THR 82 HG1 THR 82 3.402 3.528 -9.700 623 1HG2 THR 82 1HG2 THR 82 2.926 0.571 -8.095 624 2HG2 THR 82 2HG2 THR 82 4.414 1.512 -8.179 625 3HG2 THR 82 3HG2 THR 82 3.522 1.407 -6.661 626 H ALA 83 H ALA 83 1.074 -0.076 -9.938 627 HA ALA 83 HA ALA 83 -0.440 -0.868 -7.492 628 1HB ALA 83 1HB ALA 83 -1.465 -0.603 -10.213 629 2HB ALA 83 2HB ALA 83 -1.683 -2.235 -9.582 630 3HB ALA 83 3HB ALA 83 -2.347 -0.855 -8.707 631 H ILE 84 H ILE 84 1.166 -2.264 -6.744 632 HA ILE 84 HA ILE 84 2.083 -4.386 -8.631 633 HB ILE 84 HB ILE 84 3.302 -3.337 -6.061 634 1HG1 ILE 84 1HG1 ILE 84 4.379 -3.345 -8.894 635 2HG1 ILE 84 2HG1 ILE 84 3.536 -1.971 -8.179 636 1HG2 ILE 84 1HG2 ILE 84 3.482 -5.887 -6.628 637 2HG2 ILE 84 2HG2 ILE 84 4.593 -5.347 -7.885 638 3HG2 ILE 84 3HG2 ILE 84 4.942 -4.999 -6.192 639 1HD1 ILE 84 1HD1 ILE 84 5.434 -2.677 -6.258 640 2HD1 ILE 84 2HD1 ILE 84 6.288 -2.848 -7.792 641 3HD1 ILE 84 3HD1 ILE 84 5.536 -1.311 -7.369 642 H ARG 85 H ARG 85 0.457 -3.759 -5.594 643 HA ARG 85 HA ARG 85 -0.739 -5.200 -4.178 644 1HB ARG 85 1HB ARG 85 -0.513 -7.028 -6.591 645 2HB ARG 85 2HB ARG 85 -1.542 -7.334 -5.191 646 1HG ARG 85 1HG ARG 85 -2.569 -5.022 -5.645 647 2HG ARG 85 2HG ARG 85 -1.763 -5.100 -7.213 648 1HD ARG 85 1HD ARG 85 -3.809 -7.049 -6.120 649 2HD ARG 85 2HD ARG 85 -4.009 -5.957 -7.491 650 HE ARG 85 HE ARG 85 -2.007 -8.180 -7.537 651 1HH1 ARG 85 1HH1 ARG 85 -5.085 -7.320 -8.551 652 2HH1 ARG 85 2HH1 ARG 85 -4.822 -7.663 -10.227 653 1HH2 ARG 85 1HH2 ARG 85 -1.415 -8.182 -9.858 654 2HH2 ARG 85 2HH2 ARG 85 -2.743 -8.151 -10.968 655 H GLY 86 H GLY 86 0.130 -6.245 -2.445 656 1HA GLY 86 1HA GLY 86 2.749 -7.102 -2.191 657 2HA GLY 86 2HA GLY 86 1.437 -7.796 -1.237 658 H GLN 87 H GLN 87 0.075 -8.831 -3.664 659 HA GLN 87 HA GLN 87 1.389 -11.406 -3.772 660 1HB GLN 87 1HB GLN 87 -0.834 -10.268 -5.497 661 2HB GLN 87 2HB GLN 87 -0.368 -11.968 -5.421 662 1HG GLN 87 1HG GLN 87 -1.083 -12.181 -3.170 663 2HG GLN 87 2HG GLN 87 -1.152 -10.433 -2.942 664 1HE2 GLN 87 2HE2 GLN 87 -3.474 -10.881 -2.247 665 2HE2 GLN 87 1HE2 GLN 87 -4.659 -11.031 -3.453 666 H ASP 88 H ASP 88 0.640 -9.141 -6.450 667 HA ASP 88 HA ASP 88 1.727 -8.921 -8.533 668 1HB ASP 88 1HB ASP 88 3.239 -7.829 -6.650 669 2HB ASP 88 2HB ASP 88 4.328 -9.156 -7.059 670 H LEU 89 H LEU 89 1.043 -11.609 -7.963 671 HA LEU 89 HA LEU 89 1.538 -13.789 -8.653 672 1HB LEU 89 1HB LEU 89 2.745 -11.962 -10.572 673 2HB LEU 89 2HB LEU 89 3.638 -13.477 -10.464 674 HG LEU 89 HG LEU 89 1.091 -14.419 -10.471 675 1HD1 LEU 89 1HD1 LEU 89 0.685 -11.765 -11.030 676 2HD1 LEU 89 2HD1 LEU 89 0.815 -12.450 -12.650 677 3HD1 LEU 89 3HD1 LEU 89 -0.399 -13.064 -11.527 678 1HD2 LEU 89 1HD2 LEU 89 3.259 -14.703 -12.031 679 2HD2 LEU 89 2HD2 LEU 89 1.676 -15.315 -12.513 680 3HD2 LEU 89 3HD2 LEU 89 2.254 -13.773 -13.141 681 H ASP 90 H ASP 90 4.835 -12.712 -9.282 682 HA ASP 90 HA ASP 90 5.705 -14.358 -6.941 683 1HB ASP 90 1HB ASP 90 6.287 -14.883 -9.533 684 2HB ASP 90 2HB ASP 90 7.629 -13.806 -9.138 685 H GLU 91 H GLU 91 5.995 -12.761 -5.392 686 HA GLU 91 HA GLU 91 7.518 -10.326 -6.142 687 1HB GLU 91 1HB GLU 91 5.666 -11.086 -3.946 688 2HB GLU 91 2HB GLU 91 6.974 -9.984 -3.514 689 1HG GLU 91 1HG GLU 91 6.056 -8.993 -5.949 690 2HG GLU 91 2HG GLU 91 4.582 -9.476 -5.108 691 H ALA 92 H ALA 92 8.244 -13.394 -5.173 692 HA ALA 92 HA ALA 92 10.173 -12.877 -3.081 693 1HB ALA 92 1HB ALA 92 9.272 -15.171 -4.670 694 2HB ALA 92 2HB ALA 92 11.000 -15.209 -4.321 695 3HB ALA 92 3HB ALA 92 9.835 -15.115 -3.000 696 H ARG 93 H ARG 93 10.173 -12.336 -6.453 697 HA ARG 93 HA ARG 93 13.080 -12.587 -6.780 698 1HB ARG 93 1HB ARG 93 11.282 -12.917 -8.614 699 2HB ARG 93 2HB ARG 93 11.220 -11.154 -8.678 700 1HG ARG 93 1HG ARG 93 12.853 -11.620 -10.282 701 2HG ARG 93 2HG ARG 93 13.837 -11.350 -8.843 702 1HD ARG 93 1HD ARG 93 13.911 -13.776 -8.426 703 2HD ARG 93 2HD ARG 93 12.911 -14.057 -9.852 704 HE ARG 93 HE ARG 93 14.807 -13.632 -11.217 705 1HH1 ARG 93 1HH2 ARG 93 16.325 -14.876 -8.912 706 2HH1 ARG 93 2HH2 ARG 93 17.585 -13.716 -8.660 707 1HH2 ARG 93 1HH1 ARG 93 16.009 -11.214 -10.471 708 2HH2 ARG 93 2HH1 ARG 93 17.408 -11.642 -9.544 709 H ALA 94 H ALA 94 11.123 -10.370 -5.272 710 HA ALA 94 HA ALA 94 12.657 -7.984 -6.107 711 1HB ALA 94 1HB ALA 94 10.170 -7.898 -5.646 712 2HB ALA 94 2HB ALA 94 10.538 -8.209 -3.949 713 3HB ALA 94 3HB ALA 94 11.120 -6.734 -4.722 714 H MET 95 H MET 95 12.565 -10.370 -3.597 715 HA MET 95 HA MET 95 13.836 -8.996 -1.472 716 1HB MET 95 1HB MET 95 13.369 -11.771 -2.257 717 2HB MET 95 2HB MET 95 14.913 -11.569 -1.433 718 1HG MET 95 1HG MET 95 13.006 -9.993 -0.031 719 2HG MET 95 2HG MET 95 12.278 -11.578 -0.298 720 1HE MET 95 1HE MET 95 12.143 -12.292 2.057 721 2HE MET 95 2HE MET 95 12.729 -13.582 1.011 722 3HE MET 95 3HE MET 95 13.435 -13.366 2.610 723 H GLU 96 H GLU 96 15.106 -10.278 -4.478 724 HA GLU 96 HA GLU 96 17.883 -10.271 -3.799 725 1HB GLU 96 1HB GLU 96 16.526 -11.079 -5.969 726 2HB GLU 96 2HB GLU 96 17.057 -9.504 -6.560 727 1HG GLU 96 1HG GLU 96 19.383 -10.311 -5.533 728 2HG GLU 96 2HG GLU 96 18.682 -11.903 -5.831 729 H ALA 97 H ALA 97 16.010 -7.808 -5.617 730 HA ALA 97 HA ALA 97 18.022 -5.835 -5.705 731 1HB ALA 97 1HB ALA 97 15.007 -5.609 -5.566 732 2HB ALA 97 2HB ALA 97 16.051 -4.202 -5.766 733 3HB ALA 97 3HB ALA 97 16.040 -5.471 -6.990 734 H LYS 98 H LYS 98 15.610 -6.480 -3.167 735 HA LYS 98 HA LYS 98 16.169 -4.291 -1.474 736 1HB LYS 98 1HB LYS 98 14.310 -5.796 -1.019 737 2HB LYS 98 2HB LYS 98 15.419 -7.142 -0.759 738 1HG LYS 98 1HG LYS 98 16.468 -5.513 1.046 739 2HG LYS 98 2HG LYS 98 14.866 -4.777 0.996 740 1HD LYS 98 1HD LYS 98 13.800 -6.750 1.716 741 2HD LYS 98 2HD LYS 98 15.183 -7.759 1.290 742 1HE LYS 98 1HE LYS 98 16.448 -6.299 3.068 743 2HE LYS 98 2HE LYS 98 14.825 -5.948 3.660 744 1HZ LYS 98 1HZ LYS 98 15.949 -8.667 3.252 745 2HZ LYS 98 2HZ LYS 98 15.800 -7.883 4.752 746 3HZ LYS 98 3HZ LYS 98 14.411 -8.302 3.874 747 H ARG 99 H ARG 99 17.816 -7.434 -1.739 748 HA ARG 99 HA ARG 99 19.601 -7.089 0.454 749 1HB ARG 99 1HB ARG 99 19.410 -9.258 -0.579 750 2HB ARG 99 2HB ARG 99 19.901 -8.614 -2.147 751 1HG ARG 99 1HG ARG 99 22.128 -8.465 -1.547 752 2HG ARG 99 2HG ARG 99 21.760 -8.230 0.163 753 1HD ARG 99 1HD ARG 99 22.567 -10.417 0.172 754 2HD ARG 99 2HD ARG 99 20.833 -10.691 0.001 755 HE ARG 99 HE ARG 99 22.415 -10.510 -2.496 756 1HH1 ARG 99 1HH2 ARG 99 23.079 -13.018 -0.958 757 2HH1 ARG 99 2HH2 ARG 99 21.914 -14.136 -1.587 758 1HH2 ARG 99 1HH1 ARG 99 19.894 -11.672 -2.955 759 2HH2 ARG 99 2HH1 ARG 99 20.110 -13.374 -2.714 760 H LYS 100 H LYS 100 20.115 -6.384 -3.025 761 HA LYS 100 HA LYS 100 22.655 -5.069 -2.481 762 1HB LYS 100 1HB LYS 100 22.682 -4.557 -4.847 763 2HB LYS 100 2HB LYS 100 22.095 -6.208 -4.652 764 1HG LYS 100 1HG LYS 100 19.867 -5.601 -5.113 765 2HG LYS 100 2HG LYS 100 20.167 -3.894 -4.779 766 1HD LYS 100 1HD LYS 100 21.789 -3.965 -6.776 767 2HD LYS 100 2HD LYS 100 21.033 -5.506 -7.182 768 1HE LYS 100 1HE LYS 100 18.797 -4.311 -7.098 769 2HE LYS 100 2HE LYS 100 19.695 -2.797 -6.984 770 1HZ LYS 100 1HZ LYS 100 20.873 -3.501 -9.052 771 2HZ LYS 100 2HZ LYS 100 19.763 -4.775 -9.192 772 3HZ LYS 100 3HZ LYS 100 19.220 -3.167 -9.259 773 H ALA 101 H ALA 101 19.556 -4.131 -1.829 774 HA ALA 101 HA ALA 101 19.832 -1.318 -2.654 775 1HB ALA 101 1HB ALA 101 17.660 -2.961 -2.115 776 2HB ALA 101 2HB ALA 101 17.736 -1.918 -0.695 777 3HB ALA 101 3HB ALA 101 17.597 -1.208 -2.305 778 H GLU 102 H GLU 102 20.247 -3.296 0.215 779 HA GLU 102 HA GLU 102 20.539 -0.999 2.002 780 1HB GLU 102 1HB GLU 102 19.709 -3.120 2.895 781 2HB GLU 102 2HB GLU 102 21.181 -3.940 2.374 782 1HG GLU 102 1HG GLU 102 21.692 -3.507 4.600 783 2HG GLU 102 2HG GLU 102 22.362 -2.072 3.821 784 H GLU 103 H GLU 103 22.602 -2.966 -0.010 785 HA GLU 103 HA GLU 103 25.074 -2.078 1.293 786 1HB GLU 103 1HB GLU 103 24.538 -3.585 -1.283 787 2HB GLU 103 2HB GLU 103 26.155 -3.219 -0.680 788 1HG GLU 103 1HG GLU 103 24.080 -4.694 0.960 789 2HG GLU 103 2HG GLU 103 25.268 -5.517 -0.050 790 H HIS 104 H HIS 104 22.904 -0.795 -1.002 791 HA HIS 104 HA HIS 104 24.940 0.812 -2.401 792 1HB HIS 104 1HB HIS 104 22.274 -0.013 -2.943 793 2HB HIS 104 2HB HIS 104 22.263 1.748 -2.861 794 HD1 HIS 104 HD1 HIS 104 24.153 -1.066 -4.590 795 HD2 HIS 104 HD2 HIS 104 23.357 2.995 -5.093 796 HE1 HIS 104 HE1 HIS 104 25.094 -0.428 -6.852 797 H ILE 105 H ILE 105 22.570 1.181 0.177 798 HA ILE 105 HA ILE 105 22.843 4.082 0.294 799 HB ILE 105 HB ILE 105 21.678 2.082 2.254 800 1HG1 ILE 105 1HG1 ILE 105 20.439 3.965 0.220 801 2HG1 ILE 105 2HG1 ILE 105 20.437 2.202 0.155 802 1HG2 ILE 105 1HG2 ILE 105 21.708 5.110 2.227 803 2HG2 ILE 105 2HG2 ILE 105 20.583 4.164 3.203 804 3HG2 ILE 105 3HG2 ILE 105 22.319 4.042 3.491 805 1HD1 ILE 105 1HD1 ILE 105 19.245 3.717 2.480 806 2HD1 ILE 105 2HD1 ILE 105 18.302 3.312 1.047 807 3HD1 ILE 105 3HD1 ILE 105 18.994 2.028 2.040 808 H SER 106 H SER 106 24.948 1.640 1.045 809 HA SER 106 HA SER 106 26.089 3.099 3.386 810 1HB SER 106 1HB SER 106 26.257 0.265 2.419 811 2HB SER 106 2HB SER 106 27.583 0.920 3.376 812 HG SER 106 HG SER 106 24.877 0.538 4.056 813 H SER 107 H SER 107 26.905 4.766 1.854 814 HA SER 107 HA SER 107 29.653 4.333 1.182 815 1HB SER 107 1HB SER 107 27.707 3.590 -0.850 816 2HB SER 107 2HB SER 107 28.763 4.882 -1.417 817 HG SER 107 HG SER 107 30.468 3.591 -1.226 818 H SER 108 H SER 108 30.520 6.282 -0.072 819 HA SER 108 HA SER 108 30.658 8.610 -0.340 820 1HB SER 108 1HB SER 108 27.640 8.624 -0.130 821 2HB SER 108 2HB SER 108 28.670 9.803 -0.936 822 HG SER 108 HG SER 108 28.569 7.064 -1.658 823 H HIS 109 H HIS 109 28.778 10.521 0.874 824 HA HIS 109 HA HIS 109 28.316 10.092 3.622 825 1HB HIS 109 1HB HIS 109 30.676 9.710 3.930 826 2HB HIS 109 2HB HIS 109 31.087 11.143 2.988 827 HD1 HIS 109 HD1 HIS 109 31.870 12.929 4.528 828 HD2 HIS 109 HD2 HIS 109 28.712 10.768 6.183 829 HE1 HIS 109 HE1 HIS 109 31.358 14.006 6.763 830 H GLY 110 H GLY 110 26.618 11.541 3.391 831 1HA GLY 110 1HA GLY 110 27.253 14.371 3.472 832 2HA GLY 110 2HA GLY 110 26.513 13.911 1.939 833 H ASP 111 H ASP 111 25.127 15.671 3.501 834 HA ASP 111 HA ASP 111 23.307 14.401 5.348 835 1HB ASP 111 1HB ASP 111 23.664 17.060 4.143 836 2HB ASP 111 2HB ASP 111 21.977 16.639 4.443 837 H VAL 112 H VAL 112 22.723 15.700 2.053 838 HA VAL 112 HA VAL 112 20.518 13.696 1.813 839 HB VAL 112 HB VAL 112 19.789 15.307 -0.092 840 1HG1 VAL 112 1HG1 VAL 112 18.665 15.022 2.136 841 2HG1 VAL 112 2HG1 VAL 112 19.692 16.307 2.771 842 3HG1 VAL 112 3HG1 VAL 112 18.531 16.658 1.491 843 1HG2 VAL 112 1HG2 VAL 112 22.174 16.507 0.434 844 2HG2 VAL 112 2HG2 VAL 112 20.799 17.356 -0.272 845 3HG2 VAL 112 3HG2 VAL 112 21.108 17.466 1.461 846 H ASP 113 H ASP 113 23.564 13.678 1.153 847 HA ASP 113 HA ASP 113 23.744 13.423 -1.715 848 1HB ASP 113 1HB ASP 113 25.740 13.825 -0.376 849 2HB ASP 113 2HB ASP 113 25.482 12.324 0.512 850 H TYR 114 H TYR 114 24.810 10.639 0.095 851 HA TYR 114 HA TYR 114 23.318 8.865 -1.659 852 1HB TYR 114 1HB TYR 114 24.428 7.083 -0.523 853 2HB TYR 114 2HB TYR 114 25.604 8.396 -0.582 854 HD1 TYR 114 HD1 TYR 114 23.050 6.762 1.588 855 HD2 TYR 114 HD2 TYR 114 26.458 9.372 1.410 856 HE1 TYR 114 HE1 TYR 114 23.193 6.745 4.064 857 HE2 TYR 114 HE2 TYR 114 26.600 9.354 3.886 858 HH TYR 114 HH TYR 114 24.347 8.669 5.852 859 H ALA 115 H ALA 115 22.681 10.499 1.260 860 HA ALA 115 HA ALA 115 20.852 8.657 2.491 861 1HB ALA 115 1HB ALA 115 21.753 11.396 2.871 862 2HB ALA 115 2HB ALA 115 20.011 11.259 3.127 863 3HB ALA 115 3HB ALA 115 21.121 10.257 4.063 864 H GLN 116 H GLN 116 20.627 10.732 -0.263 865 HA GLN 116 HA GLN 116 17.758 11.089 -0.258 866 1HB GLN 116 1HB GLN 116 19.996 11.766 -1.975 867 2HB GLN 116 2HB GLN 116 18.646 11.145 -2.928 868 1HG GLN 116 1HG GLN 116 17.216 12.739 -1.391 869 2HG GLN 116 2HG GLN 116 18.759 13.563 -1.156 870 1HE2 GLN 116 2HE2 GLN 116 19.885 14.337 -3.176 871 2HE2 GLN 116 1HE2 GLN 116 18.955 14.713 -4.545 872 H ALA 117 H ALA 117 19.780 8.413 -0.903 873 HA ALA 117 HA ALA 117 17.846 7.104 -2.709 874 1HB ALA 117 1HB ALA 117 20.441 6.125 -1.478 875 2HB ALA 117 2HB ALA 117 19.472 5.213 -2.636 876 3HB ALA 117 3HB ALA 117 20.229 6.731 -3.120 877 H SER 118 H SER 118 18.171 7.549 0.602 878 HA SER 118 HA SER 118 17.196 4.896 1.404 879 1HB SER 118 1HB SER 118 18.368 5.689 3.200 880 2HB SER 118 2HB SER 118 18.098 7.372 2.758 881 HG SER 118 HG SER 118 16.333 7.396 3.925 882 H ALA 119 H ALA 119 15.849 7.860 0.321 883 HA ALA 119 HA ALA 119 13.282 7.563 1.686 884 1HB ALA 119 1HB ALA 119 14.077 9.267 -0.697 885 2HB ALA 119 2HB ALA 119 12.561 9.403 0.195 886 3HB ALA 119 3HB ALA 119 14.089 9.785 0.990 887 H GLU 120 H GLU 120 14.504 6.986 -1.619 888 HA GLU 120 HA GLU 120 11.939 5.884 -2.493 889 1HB GLU 120 1HB GLU 120 13.087 5.431 -4.595 890 2HB GLU 120 2HB GLU 120 13.515 7.052 -4.047 891 1HG GLU 120 1HG GLU 120 15.683 6.460 -4.142 892 2HG GLU 120 2HG GLU 120 15.381 5.307 -2.841 893 H LEU 121 H LEU 121 14.416 4.702 -0.583 894 HA LEU 121 HA LEU 121 14.334 1.938 -1.592 895 1HB LEU 121 1HB LEU 121 16.182 3.407 -0.130 896 2HB LEU 121 2HB LEU 121 15.471 2.337 1.077 897 HG LEU 121 HG LEU 121 17.306 1.133 0.122 898 1HD1 LEU 121 1HD1 LEU 121 15.006 -0.018 0.316 899 2HD1 LEU 121 2HD1 LEU 121 14.923 0.128 -1.440 900 3HD1 LEU 121 3HD1 LEU 121 16.216 -0.810 -0.693 901 1HD2 LEU 121 1HD2 LEU 121 16.127 1.972 -2.545 902 2HD2 LEU 121 2HD2 LEU 121 17.684 2.458 -1.872 903 3HD2 LEU 121 3HD2 LEU 121 17.423 0.787 -2.372 904 H ALA 122 H ALA 122 13.402 3.610 1.435 905 HA ALA 122 HA ALA 122 12.071 1.351 2.581 906 1HB ALA 122 1HB ALA 122 11.871 4.330 3.027 907 2HB ALA 122 2HB ALA 122 10.836 3.202 3.905 908 3HB ALA 122 3HB ALA 122 12.589 3.110 4.077 909 H LYS 123 H LYS 123 10.918 3.989 0.502 910 HA LYS 123 HA LYS 123 8.141 3.366 0.633 911 1HB LYS 123 1HB LYS 123 9.896 4.772 -1.355 912 2HB LYS 123 2HB LYS 123 8.231 4.393 -1.796 913 1HG LYS 123 1HG LYS 123 7.345 5.700 -0.029 914 2HG LYS 123 2HG LYS 123 8.895 5.762 0.811 915 1HD LYS 123 1HD LYS 123 8.293 7.894 -0.392 916 2HD LYS 123 2HD LYS 123 9.836 7.198 -0.888 917 1HE LYS 123 1HE LYS 123 9.016 6.494 -2.946 918 2HE LYS 123 2HE LYS 123 7.351 6.412 -2.369 919 1HZ LYS 123 1HZ LYS 123 7.498 8.905 -2.141 920 2HZ LYS 123 2HZ LYS 123 8.931 8.820 -3.050 921 3HZ LYS 123 3HZ LYS 123 7.465 8.302 -3.729 922 H ALA 124 H ALA 124 10.769 1.962 -1.264 923 HA ALA 124 HA ALA 124 8.865 0.307 -2.802 924 1HB ALA 124 1HB ALA 124 11.248 1.359 -3.511 925 2HB ALA 124 2HB ALA 124 11.788 -0.219 -2.939 926 3HB ALA 124 3HB ALA 124 10.601 -0.113 -4.240 927 H ILE 125 H ILE 125 10.420 0.155 0.189 928 HA ILE 125 HA ILE 125 10.734 -2.778 0.156 929 HB ILE 125 HB ILE 125 12.022 -0.734 1.524 930 1HG1 ILE 125 1HG1 ILE 125 13.183 -2.593 2.677 931 2HG1 ILE 125 2HG1 ILE 125 11.900 -3.694 2.171 932 1HG2 ILE 125 1HG2 ILE 125 9.934 -0.787 3.068 933 2HG2 ILE 125 2HG2 ILE 125 10.581 -2.324 3.642 934 3HG2 ILE 125 3HG2 ILE 125 11.527 -0.846 3.823 935 1HD1 ILE 125 1HD1 ILE 125 12.620 -2.427 -0.193 936 2HD1 ILE 125 2HD1 ILE 125 14.162 -2.653 0.635 937 3HD1 ILE 125 3HD1 ILE 125 13.128 -4.042 0.304 938 H ALA 126 H ALA 126 8.123 -0.874 0.285 939 HA ALA 126 HA ALA 126 6.769 -2.065 2.600 940 1HB ALA 126 1HB ALA 126 6.287 0.120 0.747 941 2HB ALA 126 2HB ALA 126 4.847 -0.882 0.933 942 3HB ALA 126 3HB ALA 126 5.602 -0.152 2.350 943 H GLN 127 H GLN 127 7.368 -2.959 -0.636 944 HA GLN 127 HA GLN 127 4.922 -4.600 -0.865 945 1HB GLN 127 1HB GLN 127 5.685 -5.125 -3.087 946 2HB GLN 127 2HB GLN 127 5.960 -3.400 -2.841 947 1HG GLN 127 1HG GLN 127 8.324 -4.012 -2.106 948 2HG GLN 127 2HG GLN 127 7.998 -5.632 -2.724 949 1HE2 GLN 127 1HE2 GLN 127 9.957 -3.683 -3.822 950 2HE2 GLN 127 2HE2 GLN 127 9.478 -3.388 -5.425 951 H LEU 128 H LEU 128 8.074 -4.895 0.396 952 HA LEU 128 HA LEU 128 8.207 -7.819 -0.009 953 1HB LEU 128 1HB LEU 128 10.173 -5.982 0.149 954 2HB LEU 128 2HB LEU 128 10.079 -6.440 1.850 955 HG LEU 128 HG LEU 128 9.948 -8.804 0.208 956 1HD1 LEU 128 1HD1 LEU 128 11.407 -6.874 -1.090 957 2HD1 LEU 128 2HD1 LEU 128 12.647 -7.665 -0.118 958 3HD1 LEU 128 3HD1 LEU 128 11.679 -8.608 -1.251 959 1HD2 LEU 128 1HD2 LEU 128 11.134 -7.836 2.617 960 2HD2 LEU 128 2HD2 LEU 128 11.018 -9.506 2.063 961 3HD2 LEU 128 3HD2 LEU 128 12.421 -8.529 1.631 962 H ARG 129 H ARG 129 7.368 -5.489 2.479 963 HA ARG 129 HA ARG 129 7.380 -7.397 4.664 964 1HB ARG 129 1HB ARG 129 6.145 -5.640 5.890 965 2HB ARG 129 2HB ARG 129 7.552 -4.969 5.064 966 1HG ARG 129 1HG ARG 129 6.057 -4.324 3.157 967 2HG ARG 129 2HG ARG 129 4.675 -4.861 4.111 968 1HD ARG 129 1HD ARG 129 5.308 -2.342 4.189 969 2HD ARG 129 2HD ARG 129 4.962 -3.160 5.713 970 HE ARG 129 HE ARG 129 7.787 -2.921 4.791 971 1HH1 ARG 129 1HH2 ARG 129 6.929 -0.374 5.969 972 2HH1 ARG 129 2HH2 ARG 129 7.223 -0.597 7.661 973 1HH2 ARG 129 1HH1 ARG 129 7.441 -4.051 7.437 974 2HH2 ARG 129 2HH1 ARG 129 7.510 -2.679 8.493 975 H VAL 130 H VAL 130 5.197 -6.662 2.094 976 HA VAL 130 HA VAL 130 2.878 -7.853 3.485 977 HB VAL 130 HB VAL 130 1.622 -7.251 1.509 978 1HG1 VAL 130 1HG1 VAL 130 3.640 -5.220 2.447 979 2HG1 VAL 130 2HG1 VAL 130 2.419 -4.796 1.249 980 3HG1 VAL 130 3HG1 VAL 130 1.929 -5.339 2.854 981 1HG2 VAL 130 1HG2 VAL 130 4.359 -6.809 0.285 982 2HG2 VAL 130 2HG2 VAL 130 3.125 -7.956 -0.237 983 3HG2 VAL 130 3HG2 VAL 130 2.867 -6.226 -0.452 984 H ILE 131 H ILE 131 5.333 -8.736 1.144 985 HA ILE 131 HA ILE 131 3.948 -11.114 0.201 986 HB ILE 131 HB ILE 131 6.016 -11.643 -0.934 987 1HG1 ILE 131 1HG1 ILE 131 7.377 -9.399 0.557 988 2HG1 ILE 131 2HG1 ILE 131 7.403 -11.051 1.170 989 1HG2 ILE 131 1HG2 ILE 131 5.035 -8.841 -0.886 990 2HG2 ILE 131 2HG2 ILE 131 6.586 -9.105 -1.681 991 3HG2 ILE 131 3HG2 ILE 131 5.152 -9.968 -2.236 992 1HD1 ILE 131 1HD1 ILE 131 8.099 -11.491 -1.417 993 2HD1 ILE 131 2HD1 ILE 131 8.784 -9.884 -1.177 994 3HD1 ILE 131 3HD1 ILE 131 9.273 -11.216 -0.130 995 H GLU 132 H GLU 132 5.727 -10.323 3.024 996 HA GLU 132 HA GLU 132 6.546 -13.098 3.568 997 1HB GLU 132 1HB GLU 132 6.603 -10.734 5.462 998 2HB GLU 132 2HB GLU 132 7.542 -12.224 5.575 999 1HG GLU 132 1HG GLU 132 7.835 -10.720 3.038 1000 2HG GLU 132 2HG GLU 132 8.505 -9.936 4.470 1001 H LEU 133 H LEU 133 4.249 -10.730 4.949 1002 HA LEU 133 HA LEU 133 3.137 -12.483 6.905 1003 1HB LEU 133 1HB LEU 133 2.516 -9.877 5.762 1004 2HB LEU 133 2HB LEU 133 1.052 -10.808 6.088 1005 HG LEU 133 HG LEU 133 2.427 -11.323 8.357 1006 1HD1 LEU 133 1HD1 LEU 133 3.549 -8.834 7.166 1007 2HD1 LEU 133 2HD1 LEU 133 3.191 -8.800 8.893 1008 3HD1 LEU 133 3HD1 LEU 133 4.306 -10.004 8.247 1009 1HD2 LEU 133 1HD2 LEU 133 0.513 -9.154 7.567 1010 2HD2 LEU 133 2HD2 LEU 133 0.252 -10.541 8.623 1011 3HD2 LEU 133 3HD2 LEU 133 1.170 -9.151 9.203 1012 H THR 134 H THR 134 2.139 -11.796 3.547 1013 HA THR 134 HA THR 134 -0.195 -13.320 3.408 1014 HB THR 134 HB THR 134 0.536 -13.792 0.991 1015 HG1 THR 134 HG1 THR 134 2.761 -13.718 1.359 1016 1HG2 THR 134 1HG2 THR 134 -0.430 -11.514 2.237 1017 2HG2 THR 134 2HG2 THR 134 0.930 -10.907 1.292 1018 3HG2 THR 134 3HG2 THR 134 -0.375 -11.785 0.495 1019 H LYS 135 H LYS 135 3.107 -14.423 3.691 1020 HA LYS 135 HA LYS 135 2.691 -17.135 2.831 1021 1HB LYS 135 1HB LYS 135 4.705 -16.008 4.803 1022 2HB LYS 135 2HB LYS 135 4.787 -17.608 4.063 1023 1HG LYS 135 1HG LYS 135 4.449 -15.936 1.881 1024 2HG LYS 135 2HG LYS 135 5.502 -14.997 2.940 1025 1HD LYS 135 1HD LYS 135 7.241 -16.281 2.323 1026 2HD LYS 135 2HD LYS 135 6.425 -17.689 3.004 1027 1HE LYS 135 1HE LYS 135 6.382 -18.469 0.876 1028 2HE LYS 135 2HE LYS 135 5.071 -17.315 0.631 1029 1HZ LYS 135 1HZ LYS 135 6.724 -15.658 -0.020 1030 2HZ LYS 135 2HZ LYS 135 7.959 -16.807 0.162 1031 3HZ LYS 135 3HZ LYS 135 6.771 -17.021 -1.034 1032 H LYS 136 H LYS 136 2.963 -15.806 6.151 1033 HA LYS 136 HA LYS 136 1.373 -18.157 7.087 1034 1HB LYS 136 1HB LYS 136 3.480 -16.445 8.390 1035 2HB LYS 136 2HB LYS 136 2.327 -17.343 9.378 1036 1HG LYS 136 1HG LYS 136 3.092 -19.424 8.603 1037 2HG LYS 136 2HG LYS 136 3.831 -18.723 7.164 1038 1HD LYS 136 1HD LYS 136 5.587 -19.320 8.747 1039 2HD LYS 136 2HD LYS 136 5.487 -17.562 8.632 1040 1HE LYS 136 1HE LYS 136 5.446 -17.715 10.918 1041 2HE LYS 136 2HE LYS 136 3.724 -17.975 10.635 1042 1HZ LYS 136 1HZ LYS 136 5.293 -20.368 10.395 1043 2HZ LYS 136 2HZ LYS 136 5.376 -19.675 11.944 1044 3HZ LYS 136 3HZ LYS 136 3.870 -20.088 11.280 1045 H ALA 137 H ALA 137 -0.154 -16.197 5.959 1046 HA ALA 137 HA ALA 137 -1.295 -14.792 8.343 1047 1HB ALA 137 1HB ALA 137 -1.077 -13.860 5.470 1048 2HB ALA 137 2HB ALA 137 -2.139 -13.090 6.649 1049 3HB ALA 137 3HB ALA 137 -0.393 -13.094 6.904 1050 H MET 138 H MET 138 -2.079 -16.098 5.107 1051 HA MET 138 HA MET 138 -4.028 -17.151 4.336 1052 1HB MET 138 1HB MET 138 -3.758 -17.910 7.181 1053 2HB MET 138 2HB MET 138 -5.385 -18.079 6.522 1054 1HG MET 138 1HG MET 138 -4.392 -20.153 6.021 1055 2HG MET 138 2HG MET 138 -4.210 -19.249 4.517 1056 1HE MET 138 1HE MET 138 -2.744 -21.044 7.375 1057 2HE MET 138 2HE MET 138 -1.053 -20.568 7.519 1058 3HE MET 138 3HE MET 138 -2.335 -19.468 8.046 Start of MODEL 3 1 1H ALA 1 1H ALA 1 -22.638 0.145 13.805 2 2H ALA 1 2H ALA 1 -23.759 1.135 13.000 3 3H ALA 1 3H ALA 1 -24.155 -0.476 13.369 4 HA ALA 1 HA ALA 1 -22.572 -1.317 11.824 5 1HB ALA 1 1HB ALA 1 -24.668 0.576 11.054 6 2HB ALA 1 2HB ALA 1 -23.414 0.418 9.825 7 3HB ALA 1 3HB ALA 1 -24.289 -1.009 10.382 8 H MET 2 H MET 2 -20.471 -1.084 11.249 9 HA MET 2 HA MET 2 -19.454 1.672 10.700 10 1HB MET 2 1HB MET 2 -18.435 -0.375 12.624 11 2HB MET 2 2HB MET 2 -17.244 0.577 11.737 12 1HG MET 2 1HG MET 2 -18.796 2.597 12.453 13 2HG MET 2 2HG MET 2 -19.296 1.483 13.726 14 1HE MET 2 1HE MET 2 -17.255 3.958 12.458 15 2HE MET 2 2HE MET 2 -17.352 4.460 14.143 16 3HE MET 2 3HE MET 2 -15.782 4.098 13.413 17 H THR 3 H THR 3 -19.438 1.309 8.444 18 HA THR 3 HA THR 3 -17.140 -0.058 7.391 19 HB THR 3 HB THR 3 -18.331 -2.105 7.786 20 HG1 THR 3 HG1 THR 3 -18.788 -1.311 5.102 21 1HG2 THR 3 1HG2 THR 3 -20.670 -0.603 6.604 22 2HG2 THR 3 2HG2 THR 3 -20.660 -2.360 6.748 23 3HG2 THR 3 3HG2 THR 3 -20.553 -1.356 8.194 24 H TYR 4 H TYR 4 -16.975 0.222 5.062 25 HA TYR 4 HA TYR 4 -19.101 1.836 3.785 26 1HB TYR 4 1HB TYR 4 -17.482 3.541 3.029 27 2HB TYR 4 2HB TYR 4 -17.595 3.498 4.784 28 HD1 TYR 4 HD1 TYR 4 -15.918 1.556 5.824 29 HD2 TYR 4 HD2 TYR 4 -15.325 3.788 2.201 30 HE1 TYR 4 HE1 TYR 4 -13.500 1.165 5.983 31 HE2 TYR 4 HE2 TYR 4 -12.879 3.387 2.367 32 HH TYR 4 HH TYR 4 -11.267 2.376 3.482 33 H HIS 5 H HIS 5 -16.960 2.446 1.652 34 HA HIS 5 HA HIS 5 -16.759 -0.321 0.541 35 1HB HIS 5 1HB HIS 5 -18.742 1.049 -0.331 36 2HB HIS 5 2HB HIS 5 -17.546 2.076 -1.117 37 HD1 HIS 5 HD1 HIS 5 -15.572 0.241 -2.319 38 HD2 HIS 5 HD2 HIS 5 -19.622 -0.725 -2.221 39 HE1 HIS 5 HE1 HIS 5 -15.932 -1.493 -4.125 40 H LEU 6 H LEU 6 -14.763 -0.751 -0.330 41 HA LEU 6 HA LEU 6 -12.861 1.472 -0.622 42 1HB LEU 6 1HB LEU 6 -12.666 -1.155 0.385 43 2HB LEU 6 2HB LEU 6 -11.778 -1.148 -1.136 44 HG LEU 6 HG LEU 6 -10.220 -0.477 0.531 45 1HD1 LEU 6 1HD1 LEU 6 -11.053 1.198 -1.563 46 2HD1 LEU 6 2HD1 LEU 6 -10.750 2.266 -0.195 47 3HD1 LEU 6 3HD1 LEU 6 -9.471 1.198 -0.778 48 1HD2 LEU 6 1HD2 LEU 6 -12.579 0.931 1.608 49 2HD2 LEU 6 2HD2 LEU 6 -11.205 0.224 2.460 50 3HD2 LEU 6 3HD2 LEU 6 -11.064 1.823 1.732 51 H ASP 7 H ASP 7 -12.225 2.084 -2.709 52 HA ASP 7 HA ASP 7 -12.668 0.139 -4.910 53 1HB ASP 7 1HB ASP 7 -14.244 2.534 -4.447 54 2HB ASP 7 2HB ASP 7 -13.406 2.622 -5.997 55 H VAL 8 H VAL 8 -10.250 0.151 -4.595 56 HA VAL 8 HA VAL 8 -8.981 2.584 -5.764 57 HB VAL 8 HB VAL 8 -7.907 2.061 -3.718 58 1HG1 VAL 8 1HG1 VAL 8 -8.512 -0.718 -4.553 59 2HG1 VAL 8 2HG1 VAL 8 -7.012 -0.499 -3.652 60 3HG1 VAL 8 3HG1 VAL 8 -8.547 0.009 -2.946 61 1HG2 VAL 8 1HG2 VAL 8 -6.376 2.299 -5.744 62 2HG2 VAL 8 2HG2 VAL 8 -5.671 1.459 -4.361 63 3HG2 VAL 8 3HG2 VAL 8 -6.253 0.539 -5.749 64 H VAL 9 H VAL 9 -8.597 2.443 -7.910 65 HA VAL 9 HA VAL 9 -7.990 -0.257 -9.049 66 HB VAL 9 HB VAL 9 -9.046 0.409 -11.091 67 1HG1 VAL 9 1HG1 VAL 9 -10.454 0.786 -8.536 68 2HG1 VAL 9 2HG1 VAL 9 -11.236 1.588 -9.898 69 3HG1 VAL 9 3HG1 VAL 9 -10.930 -0.148 -9.955 70 1HG2 VAL 9 1HG2 VAL 9 -8.887 3.161 -9.868 71 2HG2 VAL 9 2HG2 VAL 9 -8.336 2.625 -11.456 72 3HG2 VAL 9 3HG2 VAL 9 -10.061 2.812 -11.138 73 H SER 10 H SER 10 -6.526 -0.145 -10.999 74 HA SER 10 HA SER 10 -4.649 2.176 -10.823 75 1HB SER 10 1HB SER 10 -3.343 -0.299 -11.614 76 2HB SER 10 2HB SER 10 -2.907 0.828 -10.332 77 HG SER 10 HG SER 10 -4.294 -0.214 -8.962 78 H ALA 11 H ALA 11 -2.929 1.211 -12.890 79 HA ALA 11 HA ALA 11 -4.042 2.250 -15.208 80 1HB ALA 11 1HB ALA 11 -1.905 0.233 -14.680 81 2HB ALA 11 2HB ALA 11 -2.483 0.386 -16.340 82 3HB ALA 11 3HB ALA 11 -1.802 1.786 -15.509 83 H GLU 12 H GLU 12 -3.641 -1.291 -14.948 84 HA GLU 12 HA GLU 12 -6.442 -1.604 -15.918 85 1HB GLU 12 1HB GLU 12 -3.918 -2.649 -17.188 86 2HB GLU 12 2HB GLU 12 -5.435 -3.530 -17.371 87 1HG GLU 12 1HG GLU 12 -6.336 -1.950 -18.744 88 2HG GLU 12 2HG GLU 12 -5.610 -0.614 -17.849 89 H GLN 13 H GLN 13 -5.920 -1.991 -13.308 90 HA GLN 13 HA GLN 13 -6.359 -4.860 -12.980 91 1HB GLN 13 1HB GLN 13 -3.711 -4.000 -12.874 92 2HB GLN 13 2HB GLN 13 -4.196 -4.077 -11.180 93 1HG GLN 13 1HG GLN 13 -5.248 -6.394 -11.930 94 2HG GLN 13 2HG GLN 13 -4.039 -6.276 -13.209 95 1HE2 GLN 13 2HE2 GLN 13 -1.739 -6.179 -12.540 96 2HE2 GLN 13 1HE2 GLN 13 -1.271 -6.733 -11.006 97 H GLN 14 H GLN 14 -8.142 -4.678 -11.690 98 HA GLN 14 HA GLN 14 -8.609 -2.494 -9.888 99 1HB GLN 14 1HB GLN 14 -9.851 -5.215 -10.256 100 2HB GLN 14 2HB GLN 14 -10.335 -4.183 -8.909 101 1HG GLN 14 1HG GLN 14 -11.360 -2.647 -10.272 102 2HG GLN 14 2HG GLN 14 -10.221 -2.905 -11.594 103 1HE2 GLN 14 2HE2 GLN 14 -11.698 -5.711 -10.096 104 2HE2 GLN 14 1HE2 GLN 14 -12.748 -6.082 -11.377 105 H MET 15 H MET 15 -8.587 -2.559 -7.534 106 HA MET 15 HA MET 15 -6.644 -4.566 -6.458 107 1HB MET 15 1HB MET 15 -7.083 -1.719 -5.509 108 2HB MET 15 2HB MET 15 -5.870 -2.849 -4.905 109 1HG MET 15 1HG MET 15 -5.977 -2.138 -7.830 110 2HG MET 15 2HG MET 15 -5.136 -1.098 -6.680 111 1HE MET 15 1HE MET 15 -2.857 -1.191 -7.374 112 2HE MET 15 2HE MET 15 -2.897 -1.540 -5.648 113 3HE MET 15 3HE MET 15 -1.793 -2.427 -6.707 114 H PHE 16 H PHE 16 -9.172 -2.299 -5.292 115 HA PHE 16 HA PHE 16 -10.356 -4.549 -3.756 116 1HB PHE 16 1HB PHE 16 -8.779 -3.402 -2.221 117 2HB PHE 16 2HB PHE 16 -9.610 -1.879 -2.520 118 HD1 PHE 16 HD1 PHE 16 -12.010 -4.462 -2.654 119 HD2 PHE 16 HD2 PHE 16 -9.687 -2.180 0.153 120 HE1 PHE 16 HE1 PHE 16 -13.634 -4.998 -0.869 121 HE2 PHE 16 HE2 PHE 16 -11.319 -2.712 1.930 122 HZ PHE 16 HZ PHE 16 -13.289 -4.127 1.422 123 H SER 17 H SER 17 -12.407 -4.555 -4.551 124 HA SER 17 HA SER 17 -13.849 -1.951 -4.595 125 1HB SER 17 1HB SER 17 -14.982 -2.598 -6.662 126 2HB SER 17 2HB SER 17 -13.241 -2.633 -6.917 127 HG SER 17 HG SER 17 -13.502 -4.954 -6.256 128 H GLY 18 H GLY 18 -14.564 -2.774 -2.448 129 1HA GLY 18 1HA GLY 18 -17.145 -4.023 -2.605 130 2HA GLY 18 2HA GLY 18 -15.958 -5.188 -2.019 131 H LEU 19 H LEU 19 -18.015 -4.440 -0.333 132 HA LEU 19 HA LEU 19 -17.664 -2.224 1.348 133 1HB LEU 19 1HB LEU 19 -18.405 -5.015 2.274 134 2HB LEU 19 2HB LEU 19 -18.820 -3.495 3.066 135 HG LEU 19 HG LEU 19 -19.751 -4.391 0.322 136 1HD1 LEU 19 1HD1 LEU 19 -20.766 -5.396 2.484 137 2HD1 LEU 19 2HD1 LEU 19 -21.452 -3.792 2.738 138 3HD1 LEU 19 3HD1 LEU 19 -21.874 -4.714 1.295 139 1HD2 LEU 19 1HD2 LEU 19 -19.346 -1.934 0.498 140 2HD2 LEU 19 2HD2 LEU 19 -21.056 -2.319 0.307 141 3HD2 LEU 19 3HD2 LEU 19 -20.424 -1.882 1.894 142 H VAL 20 H VAL 20 -16.714 -2.276 3.637 143 HA VAL 20 HA VAL 20 -14.597 -4.162 4.201 144 HB VAL 20 HB VAL 20 -12.922 -3.232 3.008 145 1HG1 VAL 20 1HG1 VAL 20 -15.016 -1.194 2.406 146 2HG1 VAL 20 2HG1 VAL 20 -13.333 -0.795 2.043 147 3HG1 VAL 20 3HG1 VAL 20 -14.086 -2.216 1.306 148 1HG2 VAL 20 1HG2 VAL 20 -13.443 -0.818 4.762 149 2HG2 VAL 20 2HG2 VAL 20 -12.274 -2.115 5.049 150 3HG2 VAL 20 3HG2 VAL 20 -12.044 -1.001 3.697 151 H GLU 21 H GLU 21 -13.266 -3.351 6.150 152 HA GLU 21 HA GLU 21 -14.718 -1.344 7.780 153 1HB GLU 21 1HB GLU 21 -15.544 -3.820 8.136 154 2HB GLU 21 2HB GLU 21 -14.046 -3.981 9.054 155 1HG GLU 21 1HG GLU 21 -15.115 -1.550 9.916 156 2HG GLU 21 2HG GLU 21 -16.517 -2.612 9.781 157 H LYS 22 H LYS 22 -12.163 -3.839 8.230 158 HA LYS 22 HA LYS 22 -10.499 -1.807 9.609 159 1HB LYS 22 1HB LYS 22 -10.715 -4.700 9.631 160 2HB LYS 22 2HB LYS 22 -9.046 -4.209 9.334 161 1HG LYS 22 1HG LYS 22 -10.010 -2.477 11.344 162 2HG LYS 22 2HG LYS 22 -10.557 -4.092 11.795 163 1HD LYS 22 1HD LYS 22 -8.466 -4.741 12.336 164 2HD LYS 22 2HD LYS 22 -7.815 -4.129 10.814 165 1HE LYS 22 1HE LYS 22 -6.816 -2.945 12.734 166 2HE LYS 22 2HE LYS 22 -7.776 -1.844 11.746 167 1HZ LYS 22 1HZ LYS 22 -9.540 -2.907 13.558 168 2HZ LYS 22 2HZ LYS 22 -8.139 -2.606 14.465 169 3HZ LYS 22 3HZ LYS 22 -8.872 -1.345 13.592 170 H ILE 23 H ILE 23 -9.559 -0.452 8.105 171 HA ILE 23 HA ILE 23 -8.199 -1.732 5.747 172 HB ILE 23 HB ILE 23 -9.049 1.169 6.003 173 1HG1 ILE 23 1HG1 ILE 23 -10.938 0.122 4.429 174 2HG1 ILE 23 2HG1 ILE 23 -10.639 -1.286 5.440 175 1HG2 ILE 23 1HG2 ILE 23 -7.681 -0.387 4.031 176 2HG2 ILE 23 2HG2 ILE 23 -9.270 0.048 3.383 177 3HG2 ILE 23 3HG2 ILE 23 -8.158 1.308 3.938 178 1HD1 ILE 23 1HD1 ILE 23 -10.880 0.356 7.431 179 2HD1 ILE 23 2HD1 ILE 23 -11.617 1.444 6.265 180 3HD1 ILE 23 3HD1 ILE 23 -12.340 -0.131 6.589 181 H GLN 24 H GLN 24 -6.084 -0.781 5.192 182 HA GLN 24 HA GLN 24 -4.842 1.008 7.182 183 1HB GLN 24 1HB GLN 24 -4.631 -1.692 7.616 184 2HB GLN 24 2HB GLN 24 -3.184 -1.371 6.658 185 1HG GLN 24 1HG GLN 24 -3.637 0.676 8.692 186 2HG GLN 24 2HG GLN 24 -3.460 -0.933 9.394 187 1HE2 GLN 24 2HE2 GLN 24 -1.423 -2.104 8.954 188 2HE2 GLN 24 1HE2 GLN 24 -0.038 -1.263 8.447 189 H VAL 25 H VAL 25 -3.419 2.348 6.160 190 HA VAL 25 HA VAL 25 -2.076 1.417 3.686 191 HB VAL 25 HB VAL 25 -3.303 4.140 3.589 192 1HG1 VAL 25 1HG1 VAL 25 -1.929 2.365 1.848 193 2HG1 VAL 25 2HG1 VAL 25 -3.574 2.519 1.231 194 3HG1 VAL 25 3HG1 VAL 25 -2.582 3.958 1.466 195 1HG2 VAL 25 1HG2 VAL 25 -4.804 1.531 3.290 196 2HG2 VAL 25 2HG2 VAL 25 -5.249 2.936 4.259 197 3HG2 VAL 25 3HG2 VAL 25 -5.340 3.013 2.500 198 H THR 26 H THR 26 0.028 2.052 3.767 199 HA THR 26 HA THR 26 0.730 4.617 5.063 200 HB THR 26 HB THR 26 1.748 1.915 5.979 201 HG1 THR 26 HG1 THR 26 0.166 2.372 7.301 202 1HG2 THR 26 1HG2 THR 26 2.881 4.686 6.324 203 2HG2 THR 26 2HG2 THR 26 3.177 3.426 7.522 204 3HG2 THR 26 3HG2 THR 26 3.718 3.205 5.858 205 H GLY 27 H GLY 27 2.258 5.606 3.830 206 1HA GLY 27 1HA GLY 27 4.134 3.903 2.258 207 2HA GLY 27 2HA GLY 27 3.226 5.173 1.436 208 H SER 28 H SER 28 3.787 7.360 1.818 209 HA SER 28 HA SER 28 6.120 7.843 3.606 210 1HB SER 28 1HB SER 28 6.698 7.515 1.070 211 2HB SER 28 2HB SER 28 6.012 9.127 0.887 212 HG SER 28 HG SER 28 7.901 8.585 2.904 213 H GLU 29 H GLU 29 3.510 9.227 1.631 214 HA GLU 29 HA GLU 29 3.709 11.850 2.869 215 1HB GLU 29 1HB GLU 29 1.915 10.502 0.922 216 2HB GLU 29 2HB GLU 29 1.206 11.829 1.843 217 1HG GLU 29 1HG GLU 29 2.275 13.316 0.539 218 2HG GLU 29 2HG GLU 29 3.825 12.626 1.018 219 H GLY 30 H GLY 30 0.600 10.230 2.826 220 1HA GLY 30 1HA GLY 30 0.005 11.047 5.519 221 2HA GLY 30 2HA GLY 30 -0.960 9.924 4.557 222 H GLU 31 H GLU 31 -1.034 8.959 6.894 223 HA GLU 31 HA GLU 31 0.718 6.636 6.897 224 1HB GLU 31 1HB GLU 31 1.313 8.967 8.612 225 2HB GLU 31 2HB GLU 31 1.272 7.420 9.457 226 1HG GLU 31 1HG GLU 31 2.683 6.725 7.239 227 2HG GLU 31 2HG GLU 31 3.179 8.407 7.417 228 H LEU 32 H LEU 32 -2.107 6.974 6.807 229 HA LEU 32 HA LEU 32 -2.826 5.630 9.370 230 1HB LEU 32 1HB LEU 32 -3.891 8.157 8.333 231 2HB LEU 32 2HB LEU 32 -5.154 6.959 8.658 232 HG LEU 32 HG LEU 32 -3.798 6.600 10.897 233 1HD1 LEU 32 1HD1 LEU 32 -2.654 9.057 9.720 234 2HD1 LEU 32 2HD1 LEU 32 -3.137 9.201 11.410 235 3HD1 LEU 32 3HD1 LEU 32 -1.975 7.965 10.927 236 1HD2 LEU 32 1HD2 LEU 32 -5.850 8.584 10.093 237 2HD2 LEU 32 2HD2 LEU 32 -5.916 7.341 11.342 238 3HD2 LEU 32 3HD2 LEU 32 -5.092 8.867 11.660 239 H GLY 33 H GLY 33 -4.908 4.428 9.156 240 1HA GLY 33 1HA GLY 33 -5.098 3.238 6.435 241 2HA GLY 33 2HA GLY 33 -5.662 2.472 7.923 242 H ILE 34 H ILE 34 -7.542 2.531 5.969 243 HA ILE 34 HA ILE 34 -9.111 5.001 6.478 244 HB ILE 34 HB ILE 34 -9.574 2.791 4.453 245 1HG1 ILE 34 1HG1 ILE 34 -7.613 4.379 4.113 246 2HG1 ILE 34 2HG1 ILE 34 -8.829 4.420 2.834 247 1HG2 ILE 34 1HG2 ILE 34 -11.006 5.433 4.920 248 2HG2 ILE 34 2HG2 ILE 34 -11.312 4.333 3.576 249 3HG2 ILE 34 3HG2 ILE 34 -11.685 3.837 5.226 250 1HD1 ILE 34 1HD1 ILE 34 -9.915 6.357 4.016 251 2HD1 ILE 34 2HD1 ILE 34 -8.550 6.373 5.139 252 3HD1 ILE 34 3HD1 ILE 34 -8.288 6.709 3.425 253 H TYR 35 H TYR 35 -11.400 4.757 6.937 254 HA TYR 35 HA TYR 35 -12.396 2.248 8.039 255 1HB TYR 35 1HB TYR 35 -12.721 3.579 10.317 256 2HB TYR 35 2HB TYR 35 -11.227 2.703 10.010 257 HD1 TYR 35 HD1 TYR 35 -9.191 3.972 9.164 258 HD2 TYR 35 HD2 TYR 35 -12.777 5.956 10.475 259 HE1 TYR 35 HE1 TYR 35 -7.943 6.099 9.361 260 HE2 TYR 35 HE2 TYR 35 -11.520 8.084 10.671 261 HH TYR 35 HH TYR 35 -8.073 8.210 10.464 262 HA PRO 36 HA PRO 36 -16.184 4.327 7.275 263 1HB PRO 36 1HB PRO 36 -17.760 3.680 9.448 264 2HB PRO 36 2HB PRO 36 -17.398 2.565 8.118 265 1HG PRO 36 1HG PRO 36 -16.251 2.636 10.879 266 2HG PRO 36 2HG PRO 36 -16.503 1.251 9.804 267 1HD PRO 36 1HD PRO 36 -14.043 2.485 10.243 268 2HD PRO 36 2HD PRO 36 -14.424 1.478 8.834 269 H GLY 37 H GLY 37 -15.161 6.430 7.523 270 1HA GLY 37 1HA GLY 37 -16.302 8.502 8.640 271 2HA GLY 37 2HA GLY 37 -15.653 7.799 10.120 272 H HIS 38 H HIS 38 -13.635 7.301 7.370 273 HA HIS 38 HA HIS 38 -11.406 8.632 8.450 274 1HB HIS 38 1HB HIS 38 -10.968 7.104 6.700 275 2HB HIS 38 2HB HIS 38 -12.165 7.841 5.638 276 HD1 HIS 38 HD1 HIS 38 -8.753 8.571 7.151 277 HD2 HIS 38 HD2 HIS 38 -11.162 9.861 4.002 278 HE1 HIS 38 HE1 HIS 38 -7.340 10.150 5.762 279 H ALA 39 H ALA 39 -10.389 10.666 7.756 280 HA ALA 39 HA ALA 39 -12.138 12.899 7.835 281 1HB ALA 39 1HB ALA 39 -9.350 12.475 7.824 282 2HB ALA 39 2HB ALA 39 -9.673 13.538 6.455 283 3HB ALA 39 3HB ALA 39 -10.188 14.006 8.075 284 HA PRO 40 HA PRO 40 -13.280 13.563 3.643 285 1HB PRO 40 1HB PRO 40 -12.975 16.279 3.363 286 2HB PRO 40 2HB PRO 40 -14.275 15.534 4.310 287 1HG PRO 40 1HG PRO 40 -11.822 16.929 5.267 288 2HG PRO 40 2HG PRO 40 -13.383 16.723 6.078 289 1HD PRO 40 1HD PRO 40 -11.022 15.239 6.598 290 2HD PRO 40 2HD PRO 40 -12.654 14.853 7.182 291 H LEU 41 H LEU 41 -10.909 12.440 3.276 292 HA LEU 41 HA LEU 41 -8.754 14.037 2.321 293 1HB LEU 41 1HB LEU 41 -9.465 11.226 2.346 294 2HB LEU 41 2HB LEU 41 -8.749 11.666 0.794 295 HG LEU 41 HG LEU 41 -7.043 10.970 2.481 296 1HD1 LEU 41 1HD1 LEU 41 -6.751 12.807 0.630 297 2HD1 LEU 41 2HD1 LEU 41 -6.690 13.917 1.999 298 3HD1 LEU 41 3HD1 LEU 41 -5.503 12.619 1.863 299 1HD2 LEU 41 1HD2 LEU 41 -8.605 12.453 4.227 300 2HD2 LEU 41 2HD2 LEU 41 -6.984 11.849 4.570 301 3HD2 LEU 41 3HD2 LEU 41 -7.203 13.493 3.971 302 H LEU 42 H LEU 42 -8.107 14.323 0.014 303 HA LEU 42 HA LEU 42 -10.506 14.692 -1.714 304 1HB LEU 42 1HB LEU 42 -7.974 16.309 -1.528 305 2HB LEU 42 2HB LEU 42 -9.174 16.520 -2.804 306 HG LEU 42 HG LEU 42 -9.740 16.757 0.166 307 1HD1 LEU 42 1HD1 LEU 42 -8.431 18.572 -1.487 308 2HD1 LEU 42 2HD1 LEU 42 -10.106 19.123 -1.508 309 3HD1 LEU 42 3HD1 LEU 42 -9.251 18.959 0.026 310 1HD2 LEU 42 1HD2 LEU 42 -11.413 16.476 -2.193 311 2HD2 LEU 42 2HD2 LEU 42 -11.885 16.495 -0.494 312 3HD2 LEU 42 3HD2 LEU 42 -11.724 18.010 -1.382 313 H THR 43 H THR 43 -7.294 15.117 -2.814 314 HA THR 43 HA THR 43 -7.590 12.656 -4.482 315 HB THR 43 HB THR 43 -6.730 13.792 -6.360 316 HG1 THR 43 HG1 THR 43 -5.708 15.496 -4.402 317 1HG2 THR 43 1HG2 THR 43 -8.949 14.818 -5.008 318 2HG2 THR 43 2HG2 THR 43 -8.020 16.244 -5.471 319 3HG2 THR 43 3HG2 THR 43 -8.539 15.091 -6.701 320 H ALA 44 H ALA 44 -6.118 13.100 -1.878 321 HA ALA 44 HA ALA 44 -3.360 12.523 -2.890 322 1HB ALA 44 1HB ALA 44 -4.372 14.081 -0.601 323 2HB ALA 44 2HB ALA 44 -3.055 12.980 -0.199 324 3HB ALA 44 3HB ALA 44 -2.832 14.201 -1.452 325 H ILE 45 H ILE 45 -2.836 10.409 -2.781 326 HA ILE 45 HA ILE 45 -4.160 8.731 -0.688 327 HB ILE 45 HB ILE 45 -4.546 8.210 -3.175 328 1HG1 ILE 45 1HG1 ILE 45 -3.234 5.848 -1.905 329 2HG1 ILE 45 2HG1 ILE 45 -4.553 6.615 -1.018 330 1HG2 ILE 45 1HG2 ILE 45 -1.931 8.572 -3.500 331 2HG2 ILE 45 2HG2 ILE 45 -1.880 6.854 -3.105 332 3HG2 ILE 45 3HG2 ILE 45 -2.819 7.413 -4.490 333 1HD1 ILE 45 1HD1 ILE 45 -5.076 6.219 -3.897 334 2HD1 ILE 45 2HD1 ILE 45 -4.913 4.728 -2.968 335 3HD1 ILE 45 3HD1 ILE 45 -6.127 5.924 -2.511 336 H LYS 46 H LYS 46 -2.623 6.701 -0.216 337 HA LYS 46 HA LYS 46 0.131 7.796 0.181 338 1HB LYS 46 1HB LYS 46 -1.120 5.741 1.995 339 2HB LYS 46 2HB LYS 46 0.228 6.829 2.327 340 1HG LYS 46 1HG LYS 46 -1.184 8.372 3.150 341 2HG LYS 46 2HG LYS 46 -2.077 8.397 1.630 342 1HD LYS 46 1HD LYS 46 -3.405 6.464 2.352 343 2HD LYS 46 2HD LYS 46 -2.490 6.383 3.858 344 1HE LYS 46 1HE LYS 46 -3.237 8.909 4.085 345 2HE LYS 46 2HE LYS 46 -4.520 8.407 2.984 346 1HZ LYS 46 1HZ LYS 46 -4.838 6.480 4.595 347 2HZ LYS 46 2HZ LYS 46 -3.912 7.390 5.690 348 3HZ LYS 46 3HZ LYS 46 -5.377 8.009 5.093 349 HA PRO 47 HA PRO 47 1.239 4.154 -2.121 350 1HB PRO 47 1HB PRO 47 3.951 4.587 -2.025 351 2HB PRO 47 2HB PRO 47 2.863 5.449 -3.126 352 1HG PRO 47 1HG PRO 47 4.193 6.437 -0.649 353 2HG PRO 47 2HG PRO 47 3.629 7.348 -2.061 354 1HD PRO 47 1HD PRO 47 2.298 7.147 0.438 355 2HD PRO 47 2HD PRO 47 1.616 7.800 -1.066 356 H GLY 48 H GLY 48 3.540 2.679 -1.646 357 1HA GLY 48 1HA GLY 48 4.705 1.380 -0.006 358 2HA GLY 48 2HA GLY 48 3.678 2.083 1.244 359 H MET 49 H MET 49 2.674 0.350 2.181 360 HA MET 49 HA MET 49 1.374 -1.632 0.354 361 1HB MET 49 1HB MET 49 1.579 -3.267 2.123 362 2HB MET 49 2HB MET 49 3.159 -2.515 1.907 363 1HG MET 49 1HG MET 49 2.986 -2.329 4.199 364 2HG MET 49 2HG MET 49 2.184 -0.828 3.738 365 1HE MET 49 1HE MET 49 1.860 -4.411 3.828 366 2HE MET 49 2HE MET 49 0.996 -4.681 5.339 367 3HE MET 49 3HE MET 49 0.125 -4.718 3.799 368 H ILE 50 H ILE 50 -0.617 -2.678 1.572 369 HA ILE 50 HA ILE 50 -2.029 -0.728 3.282 370 HB ILE 50 HB ILE 50 -2.789 0.178 1.261 371 1HG1 ILE 50 1HG1 ILE 50 -4.707 -2.078 1.938 372 2HG1 ILE 50 2HG1 ILE 50 -4.746 -0.433 2.574 373 1HG2 ILE 50 1HG2 ILE 50 -2.028 -2.407 0.241 374 2HG2 ILE 50 2HG2 ILE 50 -3.633 -1.984 -0.354 375 3HG2 ILE 50 3HG2 ILE 50 -2.272 -0.899 -0.639 376 1HD1 ILE 50 1HD1 ILE 50 -4.975 -1.062 -0.377 377 2HD1 ILE 50 2HD1 ILE 50 -6.376 -0.893 0.682 378 3HD1 ILE 50 3HD1 ILE 50 -5.296 0.477 0.423 379 H ARG 51 H ARG 51 -2.799 -1.974 4.903 380 HA ARG 51 HA ARG 51 -3.581 -4.790 4.294 381 1HB ARG 51 1HB ARG 51 -1.963 -4.768 6.035 382 2HB ARG 51 2HB ARG 51 -2.710 -3.377 6.821 383 1HG ARG 51 1HG ARG 51 -4.591 -4.683 7.538 384 2HG ARG 51 2HG ARG 51 -4.109 -6.046 6.526 385 1HD ARG 51 1HD ARG 51 -2.780 -6.846 8.156 386 2HD ARG 51 2HD ARG 51 -1.928 -5.305 8.262 387 HE ARG 51 HE ARG 51 -3.322 -4.703 10.095 388 1HH1 ARG 51 1HH1 ARG 51 -5.250 -6.696 8.221 389 2HH1 ARG 51 2HH1 ARG 51 -6.014 -7.508 9.548 390 1HH2 ARG 51 1HH2 ARG 51 -3.925 -6.122 11.945 391 2HH2 ARG 51 2HH2 ARG 51 -5.264 -7.183 11.655 392 H ILE 52 H ILE 52 -5.755 -5.198 4.213 393 HA ILE 52 HA ILE 52 -7.552 -3.408 5.791 394 HB ILE 52 HB ILE 52 -8.448 -4.552 3.190 395 1HG1 ILE 52 1HG1 ILE 52 -6.943 -1.946 3.387 396 2HG1 ILE 52 2HG1 ILE 52 -6.209 -3.446 2.824 397 1HG2 ILE 52 1HG2 ILE 52 -9.532 -2.806 5.109 398 2HG2 ILE 52 2HG2 ILE 52 -9.198 -1.839 3.680 399 3HG2 ILE 52 3HG2 ILE 52 -10.224 -3.262 3.556 400 1HD1 ILE 52 1HD1 ILE 52 -8.419 -3.444 1.283 401 2HD1 ILE 52 2HD1 ILE 52 -8.212 -1.703 1.486 402 3HD1 ILE 52 3HD1 ILE 52 -6.915 -2.672 0.787 403 H VAL 53 H VAL 53 -9.923 -4.560 5.568 404 HA VAL 53 HA VAL 53 -9.793 -7.474 5.714 405 HB VAL 53 HB VAL 53 -10.075 -5.739 8.166 406 1HG1 VAL 53 1HG1 VAL 53 -11.245 -8.489 7.691 407 2HG1 VAL 53 2HG1 VAL 53 -10.936 -7.845 9.305 408 3HG1 VAL 53 3HG1 VAL 53 -12.086 -7.038 8.238 409 1HG2 VAL 53 1HG2 VAL 53 -8.574 -8.278 7.463 410 2HG2 VAL 53 2HG2 VAL 53 -7.884 -6.688 7.787 411 3HG2 VAL 53 3HG2 VAL 53 -8.638 -7.604 9.092 412 H LYS 54 H LYS 54 -11.556 -7.840 4.455 413 HA LYS 54 HA LYS 54 -13.732 -6.081 4.055 414 1HB LYS 54 1HB LYS 54 -12.969 -8.690 3.198 415 2HB LYS 54 2HB LYS 54 -14.641 -8.778 3.753 416 1HG LYS 54 1HG LYS 54 -14.625 -6.413 2.341 417 2HG LYS 54 2HG LYS 54 -13.522 -7.417 1.400 418 1HD LYS 54 1HD LYS 54 -15.476 -9.221 1.848 419 2HD LYS 54 2HD LYS 54 -16.438 -7.743 1.877 420 1HE LYS 54 1HE LYS 54 -16.465 -8.213 -0.396 421 2HE LYS 54 2HE LYS 54 -15.040 -7.177 -0.301 422 1HZ LYS 54 1HZ LYS 54 -13.819 -9.392 0.127 423 2HZ LYS 54 2HZ LYS 54 -15.192 -10.103 -0.576 424 3HZ LYS 54 3HZ LYS 54 -14.262 -8.988 -1.460 425 H GLN 55 H GLN 55 -15.127 -5.395 5.586 426 HA GLN 55 HA GLN 55 -16.379 -5.404 7.594 427 1HB GLN 55 1HB GLN 55 -17.238 -8.096 6.505 428 2HB GLN 55 2HB GLN 55 -18.183 -6.996 7.509 429 1HG GLN 55 1HG GLN 55 -17.445 -5.401 5.364 430 2HG GLN 55 2HG GLN 55 -17.759 -6.966 4.611 431 1HE2 GLN 55 2HE2 GLN 55 -19.275 -4.855 7.131 432 2HE2 GLN 55 1HE2 GLN 55 -20.866 -5.145 6.617 433 H HIS 56 H HIS 56 -14.034 -5.929 8.570 434 HA HIS 56 HA HIS 56 -12.744 -7.205 10.087 435 1HB HIS 56 1HB HIS 56 -15.346 -6.671 11.095 436 2HB HIS 56 2HB HIS 56 -14.939 -8.316 11.579 437 HD1 HIS 56 HD1 HIS 56 -14.609 -7.534 14.062 438 HD2 HIS 56 HD2 HIS 56 -12.003 -5.744 11.345 439 HE1 HIS 56 HE1 HIS 56 -12.798 -6.420 15.436 440 H GLY 57 H GLY 57 -13.158 -8.671 7.730 441 1HA GLY 57 1HA GLY 57 -13.427 -11.423 8.855 442 2HA GLY 57 2HA GLY 57 -14.210 -11.011 7.330 443 H HIS 58 H HIS 58 -13.064 -11.733 5.621 444 HA HIS 58 HA HIS 58 -10.450 -12.746 5.672 445 1HB HIS 58 1HB HIS 58 -12.200 -11.652 3.493 446 2HB HIS 58 2HB HIS 58 -10.523 -12.057 3.127 447 HD1 HIS 58 HD1 HIS 58 -13.757 -13.555 3.147 448 HD2 HIS 58 HD2 HIS 58 -9.951 -14.883 4.212 449 HE1 HIS 58 HE1 HIS 58 -13.858 -16.087 3.159 450 H GLU 59 H GLU 59 -8.406 -11.852 5.179 451 HA GLU 59 HA GLU 59 -8.292 -8.878 5.410 452 1HB GLU 59 1HB GLU 59 -5.876 -10.623 5.741 453 2HB GLU 59 2HB GLU 59 -6.271 -9.099 6.536 454 1HG GLU 59 1HG GLU 59 -8.261 -10.504 7.559 455 2HG GLU 59 2HG GLU 59 -7.213 -11.873 7.182 456 H GLU 60 H GLU 60 -7.759 -7.796 3.572 457 HA GLU 60 HA GLU 60 -6.114 -9.249 1.538 458 1HB GLU 60 1HB GLU 60 -8.707 -7.801 1.247 459 2HB GLU 60 2HB GLU 60 -7.522 -7.603 -0.045 460 1HG GLU 60 1HG GLU 60 -7.313 -10.139 -0.080 461 2HG GLU 60 2HG GLU 60 -8.728 -10.184 0.973 462 H PHE 61 H PHE 61 -4.226 -8.172 1.213 463 HA PHE 61 HA PHE 61 -4.222 -5.237 1.753 464 1HB PHE 61 1HB PHE 61 -1.626 -5.743 1.877 465 2HB PHE 61 2HB PHE 61 -2.665 -6.063 3.269 466 HD1 PHE 61 HD1 PHE 61 -1.053 -7.614 0.306 467 HD2 PHE 61 HD2 PHE 61 -3.012 -8.286 4.066 468 HE1 PHE 61 HE1 PHE 61 -0.421 -10.013 0.206 469 HE2 PHE 61 HE2 PHE 61 -2.381 -10.683 3.968 470 HZ PHE 61 HZ PHE 61 -1.085 -11.547 2.039 471 H ILE 62 H ILE 62 -3.175 -3.871 0.261 472 HA ILE 62 HA ILE 62 -2.501 -5.150 -2.359 473 HB ILE 62 HB ILE 62 -3.370 -2.296 -2.257 474 1HG1 ILE 62 1HG1 ILE 62 -5.367 -4.578 -2.226 475 2HG1 ILE 62 2HG1 ILE 62 -4.980 -3.621 -0.796 476 1HG2 ILE 62 1HG2 ILE 62 -2.681 -3.971 -4.257 477 2HG2 ILE 62 2HG2 ILE 62 -4.413 -4.300 -4.193 478 3HG2 ILE 62 3HG2 ILE 62 -3.837 -2.656 -4.473 479 1HD1 ILE 62 1HD1 ILE 62 -5.457 -1.763 -2.870 480 2HD1 ILE 62 2HD1 ILE 62 -6.745 -2.963 -2.984 481 3HD1 ILE 62 3HD1 ILE 62 -6.483 -2.090 -1.473 482 H TYR 63 H TYR 63 -1.514 -2.712 -3.510 483 HA TYR 63 HA TYR 63 0.476 -1.482 -1.834 484 1HB TYR 63 1HB TYR 63 1.666 -3.532 -1.821 485 2HB TYR 63 2HB TYR 63 1.290 -3.858 -3.512 486 HD1 TYR 63 HD1 TYR 63 2.387 -2.543 -5.318 487 HD2 TYR 63 HD2 TYR 63 3.515 -2.124 -1.196 488 HE1 TYR 63 HE1 TYR 63 4.489 -1.425 -6.009 489 HE2 TYR 63 HE2 TYR 63 5.618 -1.003 -1.886 490 HH TYR 63 HH TYR 63 7.012 -0.660 -3.687 491 H LEU 64 H LEU 64 1.109 0.384 -2.855 492 HA LEU 64 HA LEU 64 0.990 0.487 -5.827 493 1HB LEU 64 1HB LEU 64 -0.297 2.550 -4.012 494 2HB LEU 64 2HB LEU 64 -0.266 2.582 -5.776 495 HG LEU 64 HG LEU 64 -1.284 0.062 -5.193 496 1HD1 LEU 64 1HD1 LEU 64 -1.551 1.500 -2.843 497 2HD1 LEU 64 2HD1 LEU 64 -3.109 1.748 -3.631 498 3HD1 LEU 64 3HD1 LEU 64 -2.537 0.113 -3.305 499 1HD2 LEU 64 1HD2 LEU 64 -1.985 1.730 -6.949 500 2HD2 LEU 64 2HD2 LEU 64 -3.338 0.947 -6.131 501 3HD2 LEU 64 3HD2 LEU 64 -2.878 2.593 -5.696 502 H SER 65 H SER 65 1.707 3.016 -6.330 503 HA SER 65 HA SER 65 4.116 3.524 -4.631 504 1HB SER 65 1HB SER 65 5.515 3.579 -6.449 505 2HB SER 65 2HB SER 65 4.312 2.475 -7.113 506 HG SER 65 HG SER 65 4.908 4.396 -8.409 507 H GLY 66 H GLY 66 1.220 4.729 -5.482 508 1HA GLY 66 1HA GLY 66 1.211 7.195 -4.487 509 2HA GLY 66 2HA GLY 66 2.136 7.511 -5.955 510 H GLY 67 H GLY 67 -0.404 8.692 -5.432 511 1HA GLY 67 1HA GLY 67 -1.739 8.520 -7.839 512 2HA GLY 67 2HA GLY 67 -2.453 7.215 -6.890 513 H ILE 68 H ILE 68 -4.342 8.860 -7.389 514 HA ILE 68 HA ILE 68 -4.413 10.980 -5.299 515 HB ILE 68 HB ILE 68 -6.627 11.505 -6.627 516 1HG1 ILE 68 1HG1 ILE 68 -5.069 10.273 -8.881 517 2HG1 ILE 68 2HG1 ILE 68 -6.174 9.270 -7.941 518 1HG2 ILE 68 1HG2 ILE 68 -3.774 12.059 -7.355 519 2HG2 ILE 68 2HG2 ILE 68 -5.049 12.643 -8.423 520 3HG2 ILE 68 3HG2 ILE 68 -5.002 13.164 -6.740 521 1HD1 ILE 68 1HD1 ILE 68 -7.868 11.237 -8.351 522 2HD1 ILE 68 2HD1 ILE 68 -6.791 11.634 -9.690 523 3HD1 ILE 68 3HD1 ILE 68 -7.580 10.058 -9.631 524 H LEU 69 H LEU 69 -5.877 10.836 -3.611 525 HA LEU 69 HA LEU 69 -7.762 8.517 -3.664 526 1HB LEU 69 1HB LEU 69 -6.087 7.787 -2.175 527 2HB LEU 69 2HB LEU 69 -5.845 9.401 -1.513 528 HG LEU 69 HG LEU 69 -8.541 8.139 -1.198 529 1HD1 LEU 69 1HD1 LEU 69 -6.026 7.351 0.280 530 2HD1 LEU 69 2HD1 LEU 69 -7.623 7.183 1.009 531 3HD1 LEU 69 3HD1 LEU 69 -7.229 6.299 -0.465 532 1HD2 LEU 69 1HD2 LEU 69 -7.218 10.463 -0.314 533 2HD2 LEU 69 2HD2 LEU 69 -8.790 9.872 0.228 534 3HD2 LEU 69 3HD2 LEU 69 -7.328 9.421 1.106 535 H GLU 70 H GLU 70 -9.833 9.130 -3.325 536 HA GLU 70 HA GLU 70 -10.338 11.658 -1.805 537 1HB GLU 70 1HB GLU 70 -12.096 12.250 -3.325 538 2HB GLU 70 2HB GLU 70 -10.707 11.836 -4.329 539 1HG GLU 70 1HG GLU 70 -11.603 9.581 -4.683 540 2HG GLU 70 2HG GLU 70 -12.974 9.946 -3.636 541 H VAL 71 H VAL 71 -11.978 11.509 -0.275 542 HA VAL 71 HA VAL 71 -13.104 8.782 0.113 543 HB VAL 71 HB VAL 71 -11.842 9.990 1.969 544 1HG1 VAL 71 1HG1 VAL 71 -12.859 12.225 1.510 545 2HG1 VAL 71 2HG1 VAL 71 -14.411 11.601 2.069 546 3HG1 VAL 71 3HG1 VAL 71 -13.055 11.722 3.190 547 1HG2 VAL 71 1HG2 VAL 71 -14.160 8.371 2.012 548 2HG2 VAL 71 2HG2 VAL 71 -12.977 8.572 3.305 549 3HG2 VAL 71 3HG2 VAL 71 -14.405 9.606 3.248 550 H GLN 72 H GLN 72 -15.318 8.427 0.188 551 HA GLN 72 HA GLN 72 -17.066 10.786 -0.385 552 1HB GLN 72 1HB GLN 72 -17.501 7.977 -1.438 553 2HB GLN 72 2HB GLN 72 -18.379 9.439 -1.892 554 1HG GLN 72 1HG GLN 72 -15.501 9.747 -2.250 555 2HG GLN 72 2HG GLN 72 -16.140 8.401 -3.191 556 1HE2 GLN 72 2HE2 GLN 72 -16.901 9.018 -5.213 557 2HE2 GLN 72 1HE2 GLN 72 -17.526 10.549 -5.598 558 HA PRO 73 HA PRO 73 -19.499 9.393 2.990 559 1HB PRO 73 1HB PRO 73 -21.973 10.289 2.192 560 2HB PRO 73 2HB PRO 73 -20.692 11.356 2.793 561 1HG PRO 73 1HG PRO 73 -21.640 10.951 -0.008 562 2HG PRO 73 2HG PRO 73 -20.892 12.379 0.727 563 1HD PRO 73 1HD PRO 73 -19.581 10.515 -0.940 564 2HD PRO 73 2HD PRO 73 -18.786 11.720 0.097 565 H GLY 74 H GLY 74 -19.275 7.063 2.515 566 1HA GLY 74 1HA GLY 74 -21.005 5.219 2.655 567 2HA GLY 74 2HA GLY 74 -21.698 5.910 1.187 568 H ASN 75 H ASN 75 -18.409 6.260 0.949 569 HA ASN 75 HA ASN 75 -17.420 3.692 0.305 570 1HB ASN 75 1HB ASN 75 -17.579 4.087 -2.299 571 2HB ASN 75 2HB ASN 75 -18.922 3.328 -1.443 572 1HD2 ASN 75 2HD2 ASN 75 -20.934 4.325 -1.697 573 2HD2 ASN 75 1HD2 ASN 75 -21.165 5.908 -2.263 574 H VAL 76 H VAL 76 -15.524 3.962 -1.405 575 HA VAL 76 HA VAL 76 -14.459 6.704 -1.498 576 HB VAL 76 HB VAL 76 -13.598 6.040 0.639 577 1HG1 VAL 76 1HG1 VAL 76 -13.238 3.409 -0.755 578 2HG1 VAL 76 2HG1 VAL 76 -12.175 3.811 0.594 579 3HG1 VAL 76 3HG1 VAL 76 -13.921 3.744 0.836 580 1HG2 VAL 76 1HG2 VAL 76 -11.975 6.955 -1.124 581 2HG2 VAL 76 2HG2 VAL 76 -11.248 6.118 0.247 582 3HG2 VAL 76 3HG2 VAL 76 -11.409 5.295 -1.304 583 H THR 77 H THR 77 -12.844 6.923 -3.124 584 HA THR 77 HA THR 77 -12.128 4.462 -4.628 585 HB THR 77 HB THR 77 -12.593 5.834 -6.762 586 HG1 THR 77 HG1 THR 77 -12.963 7.821 -5.859 587 1HG2 THR 77 1HG2 THR 77 -14.403 4.351 -5.001 588 2HG2 THR 77 2HG2 THR 77 -15.250 5.432 -6.107 589 3HG2 THR 77 3HG2 THR 77 -14.156 4.202 -6.741 590 H VAL 78 H VAL 78 -10.095 4.587 -5.599 591 HA VAL 78 HA VAL 78 -8.698 7.192 -5.671 592 HB VAL 78 HB VAL 78 -6.882 6.531 -4.284 593 1HG1 VAL 78 1HG1 VAL 78 -9.458 5.522 -3.039 594 2HG1 VAL 78 2HG1 VAL 78 -7.987 5.902 -2.143 595 3HG1 VAL 78 3HG1 VAL 78 -8.857 7.179 -2.992 596 1HG2 VAL 78 1HG2 VAL 78 -7.938 3.811 -4.847 597 2HG2 VAL 78 2HG2 VAL 78 -6.270 4.356 -4.684 598 3HG2 VAL 78 3HG2 VAL 78 -7.243 4.050 -3.246 599 H LEU 79 H LEU 79 -7.222 7.259 -7.362 600 HA LEU 79 HA LEU 79 -6.848 4.700 -8.863 601 1HB LEU 79 1HB LEU 79 -8.083 6.136 -10.277 602 2HB LEU 79 2HB LEU 79 -7.166 7.556 -9.780 603 HG LEU 79 HG LEU 79 -5.699 5.303 -11.101 604 1HD1 LEU 79 1HD1 LEU 79 -7.953 6.486 -12.299 605 2HD1 LEU 79 2HD1 LEU 79 -6.563 7.302 -13.016 606 3HD1 LEU 79 3HD1 LEU 79 -6.699 5.546 -13.106 607 1HD2 LEU 79 1HD2 LEU 79 -5.052 7.834 -10.152 608 2HD2 LEU 79 2HD2 LEU 79 -4.074 6.875 -11.263 609 3HD2 LEU 79 3HD2 LEU 79 -5.198 8.079 -11.893 610 H ALA 80 H ALA 80 -4.769 4.060 -9.292 611 HA ALA 80 HA ALA 80 -2.577 5.961 -8.557 612 1HB ALA 80 1HB ALA 80 -2.980 3.058 -7.915 613 2HB ALA 80 2HB ALA 80 -1.337 3.661 -8.132 614 3HB ALA 80 3HB ALA 80 -2.373 4.354 -6.885 615 H ASP 81 H ASP 81 -0.405 4.940 -9.592 616 HA ASP 81 HA ASP 81 -1.083 4.338 -12.444 617 1HB ASP 81 1HB ASP 81 1.413 5.703 -11.394 618 2HB ASP 81 2HB ASP 81 0.936 5.519 -13.083 619 H THR 82 H THR 82 0.368 3.140 -9.626 620 HA THR 82 HA THR 82 1.772 1.045 -11.230 621 HB THR 82 HB THR 82 2.661 2.434 -8.694 622 HG1 THR 82 HG1 THR 82 3.348 3.372 -10.599 623 1HG2 THR 82 1HG2 THR 82 2.894 -0.007 -8.408 624 2HG2 THR 82 2HG2 THR 82 3.778 -0.095 -9.931 625 3HG2 THR 82 3HG2 THR 82 4.467 0.775 -8.561 626 H ALA 83 H ALA 83 1.903 -1.064 -10.056 627 HA ALA 83 HA ALA 83 0.293 -1.491 -7.683 628 1HB ALA 83 1HB ALA 83 -1.383 -1.144 -9.640 629 2HB ALA 83 2HB ALA 83 -0.852 -2.738 -10.177 630 3HB ALA 83 3HB ALA 83 -1.606 -2.546 -8.594 631 H ILE 84 H ILE 84 1.310 -3.170 -6.712 632 HA ILE 84 HA ILE 84 2.558 -5.248 -8.459 633 HB ILE 84 HB ILE 84 3.417 -4.187 -5.756 634 1HG1 ILE 84 1HG1 ILE 84 4.739 -4.214 -8.488 635 2HG1 ILE 84 2HG1 ILE 84 4.079 -2.796 -7.671 636 1HG2 ILE 84 1HG2 ILE 84 4.319 -6.585 -7.353 637 2HG2 ILE 84 2HG2 ILE 84 5.354 -5.819 -6.148 638 3HG2 ILE 84 3HG2 ILE 84 3.813 -6.528 -5.664 639 1HD1 ILE 84 1HD1 ILE 84 5.683 -3.283 -5.764 640 2HD1 ILE 84 2HD1 ILE 84 6.442 -4.483 -6.810 641 3HD1 ILE 84 3HD1 ILE 84 6.448 -2.780 -7.272 642 H ARG 85 H ARG 85 0.997 -4.665 -5.318 643 HA ARG 85 HA ARG 85 -0.538 -6.027 -4.155 644 1HB ARG 85 1HB ARG 85 -1.181 -6.676 -6.604 645 2HB ARG 85 2HB ARG 85 -0.259 -8.144 -6.278 646 1HG ARG 85 1HG ARG 85 -1.653 -8.601 -4.305 647 2HG ARG 85 2HG ARG 85 -2.563 -7.118 -4.593 648 1HD ARG 85 1HD ARG 85 -2.611 -8.487 -7.044 649 2HD ARG 85 2HD ARG 85 -2.889 -9.725 -5.819 650 HE ARG 85 HE ARG 85 -4.511 -7.378 -5.329 651 1HH1 ARG 85 1HH2 ARG 85 -5.092 -7.954 -8.198 652 2HH1 ARG 85 2HH2 ARG 85 -6.374 -9.113 -8.091 653 1HH2 ARG 85 1HH1 ARG 85 -5.777 -9.860 -4.758 654 2HH2 ARG 85 2HH1 ARG 85 -6.762 -10.192 -6.143 655 H GLY 86 H GLY 86 -0.295 -7.706 -2.613 656 1HA GLY 86 1HA GLY 86 2.352 -8.473 -1.938 657 2HA GLY 86 2HA GLY 86 0.899 -9.241 -1.298 658 H GLN 87 H GLN 87 0.100 -9.836 -4.192 659 HA GLN 87 HA GLN 87 1.410 -12.455 -4.303 660 1HB GLN 87 1HB GLN 87 -0.678 -11.113 -6.042 661 2HB GLN 87 2HB GLN 87 -0.069 -12.742 -6.340 662 1HG GLN 87 1HG GLN 87 -0.753 -13.359 -4.005 663 2HG GLN 87 2HG GLN 87 -1.499 -11.769 -3.852 664 1HE2 GLN 87 2HE2 GLN 87 -1.837 -14.946 -5.316 665 2HE2 GLN 87 1HE2 GLN 87 -3.372 -14.679 -5.992 666 H ASP 88 H ASP 88 0.961 -9.897 -6.772 667 HA ASP 88 HA ASP 88 2.278 -9.466 -8.688 668 1HB ASP 88 1HB ASP 88 4.553 -8.755 -8.082 669 2HB ASP 88 2HB ASP 88 3.389 -8.173 -6.892 670 H LEU 89 H LEU 89 1.859 -12.344 -8.106 671 HA LEU 89 HA LEU 89 2.726 -14.430 -8.755 672 1HB LEU 89 1HB LEU 89 4.366 -12.831 -10.732 673 2HB LEU 89 2HB LEU 89 3.723 -14.464 -10.920 674 HG LEU 89 HG LEU 89 1.474 -12.904 -10.366 675 1HD1 LEU 89 1HD1 LEU 89 2.879 -10.888 -10.776 676 2HD1 LEU 89 2HD1 LEU 89 3.249 -11.501 -12.388 677 3HD1 LEU 89 3HD1 LEU 89 1.593 -11.059 -11.972 678 1HD2 LEU 89 1HD2 LEU 89 2.671 -14.332 -12.672 679 2HD2 LEU 89 2HD2 LEU 89 1.057 -14.474 -11.976 680 3HD2 LEU 89 3HD2 LEU 89 1.427 -13.151 -13.082 681 H ASP 90 H ASP 90 5.031 -15.503 -9.356 682 HA ASP 90 HA ASP 90 7.022 -16.185 -8.288 683 1HB ASP 90 1HB ASP 90 7.632 -13.221 -8.393 684 2HB ASP 90 2HB ASP 90 8.779 -14.560 -8.469 685 H GLU 91 H GLU 91 8.673 -14.700 -6.490 686 HA GLU 91 HA GLU 91 7.372 -13.496 -4.306 687 1HB GLU 91 1HB GLU 91 6.969 -16.397 -4.471 688 2HB GLU 91 2HB GLU 91 7.674 -15.884 -2.936 689 1HG GLU 91 1HG GLU 91 5.813 -14.692 -2.319 690 2HG GLU 91 2HG GLU 91 5.414 -14.252 -3.981 691 H ALA 92 H ALA 92 9.894 -15.673 -5.425 692 HA ALA 92 HA ALA 92 11.647 -15.105 -3.148 693 1HB ALA 92 1HB ALA 92 11.544 -17.055 -5.178 694 2HB ALA 92 2HB ALA 92 13.023 -16.142 -5.475 695 3HB ALA 92 3HB ALA 92 12.760 -16.910 -3.909 696 H ARG 93 H ARG 93 10.892 -13.608 -6.151 697 HA ARG 93 HA ARG 93 13.470 -12.224 -6.393 698 1HB ARG 93 1HB ARG 93 12.551 -11.208 -8.351 699 2HB ARG 93 2HB ARG 93 11.962 -12.871 -8.351 700 1HG ARG 93 1HG ARG 93 9.853 -12.090 -8.414 701 2HG ARG 93 2HG ARG 93 10.109 -11.354 -6.830 702 1HD ARG 93 1HD ARG 93 10.594 -9.272 -7.722 703 2HD ARG 93 2HD ARG 93 11.188 -9.944 -9.239 704 HE ARG 93 HE ARG 93 8.287 -9.747 -8.533 705 1HH1 ARG 93 1HH1 ARG 93 10.716 -8.732 -10.614 706 2HH1 ARG 93 2HH1 ARG 93 9.827 -9.012 -12.074 707 1HH2 ARG 93 1HH2 ARG 93 7.207 -10.630 -10.480 708 2HH2 ARG 93 2HH2 ARG 93 7.842 -10.089 -11.999 709 H ALA 94 H ALA 94 11.063 -11.910 -4.226 710 HA ALA 94 HA ALA 94 10.875 -8.958 -4.296 711 1HB ALA 94 1HB ALA 94 8.958 -10.603 -3.665 712 2HB ALA 94 2HB ALA 94 9.782 -10.724 -2.110 713 3HB ALA 94 3HB ALA 94 9.181 -9.164 -2.671 714 H MET 95 H MET 95 12.474 -11.530 -2.536 715 HA MET 95 HA MET 95 13.395 -9.864 -0.350 716 1HB MET 95 1HB MET 95 13.743 -12.636 -1.269 717 2HB MET 95 2HB MET 95 15.176 -11.960 -0.500 718 1HG MET 95 1HG MET 95 13.695 -11.209 1.404 719 2HG MET 95 2HG MET 95 12.383 -12.123 0.661 720 1HE MET 95 1HE MET 95 11.823 -13.475 2.364 721 2HE MET 95 2HE MET 95 12.018 -14.739 1.154 722 3HE MET 95 3HE MET 95 12.608 -15.001 2.793 723 H GLU 96 H GLU 96 14.191 -9.909 -3.600 724 HA GLU 96 HA GLU 96 17.059 -9.309 -3.214 725 1HB GLU 96 1HB GLU 96 15.340 -10.099 -5.431 726 2HB GLU 96 2HB GLU 96 16.372 -8.735 -5.864 727 1HG GLU 96 1HG GLU 96 18.178 -10.070 -5.977 728 2HG GLU 96 2HG GLU 96 17.885 -10.669 -4.344 729 H ALA 97 H ALA 97 14.288 -7.597 -2.777 730 HA ALA 97 HA ALA 97 15.189 -5.106 -4.080 731 1HB ALA 97 1HB ALA 97 12.700 -6.119 -2.913 732 2HB ALA 97 2HB ALA 97 13.050 -4.457 -2.434 733 3HB ALA 97 3HB ALA 97 12.937 -4.877 -4.143 734 H LYS 98 H LYS 98 14.737 -6.389 -0.788 735 HA LYS 98 HA LYS 98 15.610 -3.978 0.530 736 1HB LYS 98 1HB LYS 98 14.422 -6.275 1.380 737 2HB LYS 98 2HB LYS 98 16.083 -6.559 1.902 738 1HG LYS 98 1HG LYS 98 15.951 -4.117 2.821 739 2HG LYS 98 2HG LYS 98 14.206 -4.348 2.704 740 1HD LYS 98 1HD LYS 98 14.966 -6.683 3.909 741 2HD LYS 98 2HD LYS 98 16.142 -5.553 4.581 742 1HE LYS 98 1HE LYS 98 14.577 -4.508 5.838 743 2HE LYS 98 2HE LYS 98 13.423 -4.460 4.506 744 1HZ LYS 98 1HZ LYS 98 13.015 -6.859 4.929 745 2HZ LYS 98 2HZ LYS 98 13.970 -6.738 6.325 746 3HZ LYS 98 3HZ LYS 98 12.531 -5.841 6.201 747 H ARG 99 H ARG 99 17.282 -6.538 -1.074 748 HA ARG 99 HA ARG 99 19.828 -5.980 0.316 749 1HB ARG 99 1HB ARG 99 19.156 -8.306 -0.399 750 2HB ARG 99 2HB ARG 99 19.328 -7.778 -2.073 751 1HG ARG 99 1HG ARG 99 21.685 -7.170 -1.635 752 2HG ARG 99 2HG ARG 99 21.512 -7.727 0.031 753 1HD ARG 99 1HD ARG 99 20.698 -9.958 -1.086 754 2HD ARG 99 2HD ARG 99 21.536 -9.336 -2.508 755 HE ARG 99 HE ARG 99 23.279 -9.131 -0.255 756 1HH1 ARG 99 1HH1 ARG 99 24.230 -10.286 -2.778 757 2HH1 ARG 99 2HH1 ARG 99 24.390 -11.972 -2.410 758 1HH2 ARG 99 1HH2 ARG 99 22.417 -11.808 0.436 759 2HH2 ARG 99 2HH2 ARG 99 23.366 -12.832 -0.589 760 H LYS 100 H LYS 100 18.175 -5.165 -2.659 761 HA LYS 100 HA LYS 100 20.627 -4.042 -3.859 762 1HB LYS 100 1HB LYS 100 19.265 -3.592 -5.794 763 2HB LYS 100 2HB LYS 100 18.830 -5.202 -5.217 764 1HG LYS 100 1HG LYS 100 16.907 -4.225 -3.987 765 2HG LYS 100 2HG LYS 100 17.323 -2.636 -4.630 766 1HD LYS 100 1HD LYS 100 17.246 -4.369 -6.857 767 2HD LYS 100 2HD LYS 100 15.823 -4.762 -5.889 768 1HE LYS 100 1HE LYS 100 15.108 -2.447 -5.888 769 2HE LYS 100 2HE LYS 100 16.602 -1.940 -6.678 770 1HZ LYS 100 1HZ LYS 100 15.963 -3.420 -8.556 771 2HZ LYS 100 2HZ LYS 100 14.455 -3.643 -7.813 772 3HZ LYS 100 3HZ LYS 100 14.925 -2.094 -8.329 773 H ALA 101 H ALA 101 18.198 -3.030 -1.713 774 HA ALA 101 HA ALA 101 18.336 -0.193 -2.532 775 1HB ALA 101 1HB ALA 101 16.314 -1.620 -1.437 776 2HB ALA 101 2HB ALA 101 17.038 -0.960 0.029 777 3HB ALA 101 3HB ALA 101 16.471 0.125 -1.240 778 H GLU 102 H GLU 102 18.926 -2.011 0.501 779 HA GLU 102 HA GLU 102 20.284 0.056 1.868 780 1HB GLU 102 1HB GLU 102 19.556 -2.007 2.978 781 2HB GLU 102 2HB GLU 102 20.721 -2.941 2.038 782 1HG GLU 102 1HG GLU 102 22.230 -0.873 3.175 783 2HG GLU 102 2HG GLU 102 21.140 -1.388 4.463 784 H GLU 103 H GLU 103 21.444 -2.196 -0.579 785 HA GLU 103 HA GLU 103 24.224 -1.965 -0.248 786 1HB GLU 103 1HB GLU 103 22.665 -3.190 -2.071 787 2HB GLU 103 2HB GLU 103 23.188 -1.807 -3.034 788 1HG GLU 103 1HG GLU 103 25.427 -2.423 -2.958 789 2HG GLU 103 2HG GLU 103 25.235 -3.322 -1.453 790 H HIS 104 H HIS 104 21.973 0.297 -1.810 791 HA HIS 104 HA HIS 104 24.195 2.105 -2.516 792 1HB HIS 104 1HB HIS 104 21.215 2.127 -2.966 793 2HB HIS 104 2HB HIS 104 22.176 3.582 -3.233 794 HD1 HIS 104 HD1 HIS 104 23.892 3.551 -5.184 795 HD2 HIS 104 HD2 HIS 104 21.693 0.026 -4.832 796 HE1 HIS 104 HE1 HIS 104 24.311 2.230 -7.304 797 H ILE 105 H ILE 105 21.777 1.736 -0.018 798 HA ILE 105 HA ILE 105 22.220 4.462 1.004 799 HB ILE 105 HB ILE 105 20.697 2.237 2.370 800 1HG1 ILE 105 1HG1 ILE 105 19.738 4.153 0.219 801 2HG1 ILE 105 2HG1 ILE 105 19.870 2.401 0.063 802 1HG2 ILE 105 1HG2 ILE 105 21.202 4.355 3.603 803 2HG2 ILE 105 2HG2 ILE 105 20.340 5.246 2.349 804 3HG2 ILE 105 3HG2 ILE 105 19.475 4.090 3.362 805 1HD1 ILE 105 1HD1 ILE 105 18.266 2.195 2.004 806 2HD1 ILE 105 2HD1 ILE 105 18.026 3.940 1.908 807 3HD1 ILE 105 3HD1 ILE 105 17.563 2.909 0.554 808 H SER 106 H SER 106 24.367 2.272 0.917 809 HA SER 106 HA SER 106 24.958 1.319 3.508 810 1HB SER 106 1HB SER 106 26.945 2.293 1.432 811 2HB SER 106 2HB SER 106 27.290 1.197 2.767 812 HG SER 106 HG SER 106 25.605 -0.167 1.812 813 H SER 107 H SER 107 24.445 2.924 5.070 814 HA SER 107 HA SER 107 25.004 4.671 6.536 815 1HB SER 107 1HB SER 107 27.232 4.881 6.879 816 2HB SER 107 2HB SER 107 27.441 3.753 5.544 817 HG SER 107 HG SER 107 28.584 5.741 5.261 818 H SER 108 H SER 108 23.879 6.538 6.304 819 HA SER 108 HA SER 108 24.524 8.293 3.984 820 1HB SER 108 1HB SER 108 22.518 7.170 3.280 821 2HB SER 108 2HB SER 108 21.772 7.382 4.861 822 HG SER 108 HG SER 108 22.461 9.393 2.976 823 H HIS 109 H HIS 109 25.118 10.230 4.818 824 HA HIS 109 HA HIS 109 23.873 11.079 7.402 825 1HB HIS 109 1HB HIS 109 26.306 10.759 7.562 826 2HB HIS 109 2HB HIS 109 26.549 11.853 6.199 827 HD1 HIS 109 HD1 HIS 109 26.521 14.344 6.673 828 HD2 HIS 109 HD2 HIS 109 25.259 12.091 9.947 829 HE1 HIS 109 HE1 HIS 109 26.319 15.955 8.616 830 H GLY 110 H GLY 110 22.257 11.636 5.376 831 1HA GLY 110 1HA GLY 110 22.657 14.558 4.955 832 2HA GLY 110 2HA GLY 110 22.248 13.541 3.572 833 H ASP 111 H ASP 111 20.860 15.633 5.619 834 HA ASP 111 HA ASP 111 18.606 14.511 6.781 835 1HB ASP 111 1HB ASP 111 18.763 17.068 5.156 836 2HB ASP 111 2HB ASP 111 17.422 16.645 6.222 837 H VAL 112 H VAL 112 18.122 16.105 3.643 838 HA VAL 112 HA VAL 112 16.508 13.722 2.821 839 HB VAL 112 HB VAL 112 15.185 15.359 1.440 840 1HG1 VAL 112 1HG1 VAL 112 14.751 14.612 3.940 841 2HG1 VAL 112 2HG1 VAL 112 15.102 16.306 4.284 842 3HG1 VAL 112 3HG1 VAL 112 13.770 15.883 3.210 843 1HG2 VAL 112 1HG2 VAL 112 17.328 17.068 2.195 844 2HG2 VAL 112 2HG2 VAL 112 15.923 17.475 1.210 845 3HG2 VAL 112 3HG2 VAL 112 15.872 17.705 2.958 846 H ASP 113 H ASP 113 19.240 15.594 2.151 847 HA ASP 113 HA ASP 113 19.427 15.759 -0.626 848 1HB ASP 113 1HB ASP 113 21.390 15.270 1.569 849 2HB ASP 113 2HB ASP 113 21.939 15.004 -0.087 850 H TYR 114 H TYR 114 21.525 13.236 0.552 851 HA TYR 114 HA TYR 114 20.728 11.462 -1.596 852 1HB TYR 114 1HB TYR 114 23.036 11.573 -0.496 853 2HB TYR 114 2HB TYR 114 22.325 10.709 0.866 854 HD1 TYR 114 HD1 TYR 114 23.276 10.495 -2.691 855 HD2 TYR 114 HD2 TYR 114 21.624 8.384 0.665 856 HE1 TYR 114 HE1 TYR 114 23.563 8.348 -3.900 857 HE2 TYR 114 HE2 TYR 114 21.908 6.239 -0.544 858 HH TYR 114 HH TYR 114 23.108 6.161 -3.891 859 H ALA 115 H ALA 115 19.546 12.129 1.524 860 HA ALA 115 HA ALA 115 18.502 9.560 2.257 861 1HB ALA 115 1HB ALA 115 18.426 12.261 3.239 862 2HB ALA 115 2HB ALA 115 16.784 11.615 3.217 863 3HB ALA 115 3HB ALA 115 18.052 10.770 4.105 864 H GLN 116 H GLN 116 17.499 11.981 -0.029 865 HA GLN 116 HA GLN 116 14.723 11.189 -0.203 866 1HB GLN 116 1HB GLN 116 16.417 13.141 -1.413 867 2HB GLN 116 2HB GLN 116 15.663 12.214 -2.710 868 1HG GLN 116 1HG GLN 116 13.453 12.534 -1.450 869 2HG GLN 116 2HG GLN 116 14.302 13.743 -0.486 870 1HE2 GLN 116 2HE2 GLN 116 13.190 15.596 -1.353 871 2HE2 GLN 116 1HE2 GLN 116 13.351 16.079 -2.972 872 H ALA 117 H ALA 117 17.536 10.509 -2.323 873 HA ALA 117 HA ALA 117 16.178 8.638 -3.992 874 1HB ALA 117 1HB ALA 117 18.753 9.705 -3.843 875 2HB ALA 117 2HB ALA 117 18.991 7.979 -3.565 876 3HB ALA 117 3HB ALA 117 18.182 8.534 -5.031 877 H SER 118 H SER 118 17.351 8.389 -0.756 878 HA SER 118 HA SER 118 17.556 5.475 -0.742 879 1HB SER 118 1HB SER 118 18.390 5.739 1.367 880 2HB SER 118 2HB SER 118 18.536 7.428 0.891 881 HG SER 118 HG SER 118 16.509 6.159 2.398 882 H ALA 119 H ALA 119 15.194 7.890 0.400 883 HA ALA 119 HA ALA 119 13.337 5.979 1.472 884 1HB ALA 119 1HB ALA 119 13.448 8.834 1.054 885 2HB ALA 119 2HB ALA 119 11.877 8.217 0.540 886 3HB ALA 119 3HB ALA 119 12.445 7.922 2.183 887 H GLU 120 H GLU 120 13.981 7.139 -1.764 888 HA GLU 120 HA GLU 120 11.515 6.387 -2.998 889 1HB GLU 120 1HB GLU 120 14.311 6.381 -4.179 890 2HB GLU 120 2HB GLU 120 12.805 6.367 -5.097 891 1HG GLU 120 1HG GLU 120 12.972 8.518 -3.088 892 2HG GLU 120 2HG GLU 120 14.162 8.643 -4.383 893 H LEU 121 H LEU 121 14.143 4.515 -1.759 894 HA LEU 121 HA LEU 121 13.388 2.119 -3.316 895 1HB LEU 121 1HB LEU 121 15.325 2.103 -1.013 896 2HB LEU 121 2HB LEU 121 15.335 1.122 -2.478 897 HG LEU 121 HG LEU 121 15.837 4.112 -2.415 898 1HD1 LEU 121 1HD1 LEU 121 17.716 1.741 -2.538 899 2HD1 LEU 121 2HD1 LEU 121 18.197 3.375 -2.993 900 3HD1 LEU 121 3HD1 LEU 121 17.694 3.033 -1.338 901 1HD2 LEU 121 1HD2 LEU 121 14.906 2.727 -4.506 902 2HD2 LEU 121 2HD2 LEU 121 16.112 3.997 -4.709 903 3HD2 LEU 121 3HD2 LEU 121 16.610 2.304 -4.668 904 H ALA 122 H ALA 122 12.812 3.565 -0.207 905 HA ALA 122 HA ALA 122 12.087 1.262 1.297 906 1HB ALA 122 1HB ALA 122 11.350 4.169 1.405 907 2HB ALA 122 2HB ALA 122 10.459 3.023 2.406 908 3HB ALA 122 3HB ALA 122 12.204 3.190 2.598 909 H LYS 123 H LYS 123 10.561 2.726 -1.412 910 HA LYS 123 HA LYS 123 7.834 2.036 -0.884 911 1HB LYS 123 1HB LYS 123 9.407 2.446 -3.430 912 2HB LYS 123 2HB LYS 123 7.697 2.014 -3.457 913 1HG LYS 123 1HG LYS 123 7.025 4.041 -2.579 914 2HG LYS 123 2HG LYS 123 8.529 4.269 -1.685 915 1HD LYS 123 1HD LYS 123 9.486 5.395 -3.393 916 2HD LYS 123 2HD LYS 123 8.959 4.196 -4.574 917 1HE LYS 123 1HE LYS 123 6.643 5.595 -3.671 918 2HE LYS 123 2HE LYS 123 7.868 6.795 -4.086 919 1HZ LYS 123 1HZ LYS 123 7.835 4.717 -6.005 920 2HZ LYS 123 2HZ LYS 123 6.272 5.361 -5.826 921 3HZ LYS 123 3HZ LYS 123 7.573 6.379 -6.226 922 H ALA 124 H ALA 124 10.471 0.244 -2.476 923 HA ALA 124 HA ALA 124 8.837 -2.063 -3.080 924 1HB ALA 124 1HB ALA 124 11.842 -1.738 -2.834 925 2HB ALA 124 2HB ALA 124 11.048 -3.195 -3.432 926 3HB ALA 124 3HB ALA 124 10.894 -1.679 -4.320 927 H ILE 125 H ILE 125 9.929 -0.838 -0.156 928 HA ILE 125 HA ILE 125 10.408 -3.442 1.128 929 HB ILE 125 HB ILE 125 10.363 -0.582 2.100 930 1HG1 ILE 125 1HG1 ILE 125 12.692 -0.956 2.508 931 2HG1 ILE 125 2HG1 ILE 125 12.516 -2.700 2.315 932 1HG2 ILE 125 1HG2 ILE 125 10.129 -3.119 3.657 933 2HG2 ILE 125 2HG2 ILE 125 11.220 -1.882 4.282 934 3HG2 ILE 125 3HG2 ILE 125 9.513 -1.511 4.033 935 1HD1 ILE 125 1HD1 ILE 125 11.949 -0.730 0.087 936 2HD1 ILE 125 2HD1 ILE 125 13.521 -1.494 0.319 937 3HD1 ILE 125 3HD1 ILE 125 12.106 -2.482 -0.041 938 H ALA 126 H ALA 126 7.719 -1.501 0.344 939 HA ALA 126 HA ALA 126 6.068 -2.444 2.598 940 1HB ALA 126 1HB ALA 126 5.849 -0.151 1.438 941 2HB ALA 126 2HB ALA 126 5.075 -1.029 0.119 942 3HB ALA 126 3HB ALA 126 4.356 -1.044 1.729 943 H GLN 127 H GLN 127 6.797 -3.323 -0.687 944 HA GLN 127 HA GLN 127 4.446 -5.061 -0.968 945 1HB GLN 127 1HB GLN 127 5.687 -5.801 -3.068 946 2HB GLN 127 2HB GLN 127 5.271 -4.088 -3.001 947 1HG GLN 127 1HG GLN 127 7.442 -3.480 -3.042 948 2HG GLN 127 2HG GLN 127 7.837 -4.594 -1.731 949 1HE2 GLN 127 2HE2 GLN 127 9.061 -6.410 -2.301 950 2HE2 GLN 127 1HE2 GLN 127 9.303 -6.950 -3.893 951 H LEU 128 H LEU 128 7.569 -5.282 0.418 952 HA LEU 128 HA LEU 128 7.876 -8.167 0.039 953 1HB LEU 128 1HB LEU 128 9.759 -6.440 0.403 954 2HB LEU 128 2HB LEU 128 9.303 -6.490 2.106 955 HG LEU 128 HG LEU 128 9.436 -9.176 1.350 956 1HD1 LEU 128 1HD1 LEU 128 11.639 -7.536 0.078 957 2HD1 LEU 128 2HD1 LEU 128 11.820 -9.251 0.448 958 3HD1 LEU 128 3HD1 LEU 128 10.589 -8.721 -0.698 959 1HD2 LEU 128 1HD2 LEU 128 11.148 -7.264 2.902 960 2HD2 LEU 128 2HD2 LEU 128 10.219 -8.648 3.477 961 3HD2 LEU 128 3HD2 LEU 128 11.743 -8.901 2.625 962 H ARG 129 H ARG 129 6.315 -6.064 2.320 963 HA ARG 129 HA ARG 129 6.162 -8.129 4.406 964 1HB ARG 129 1HB ARG 129 5.866 -5.316 4.321 965 2HB ARG 129 2HB ARG 129 4.295 -5.966 4.792 966 1HG ARG 129 1HG ARG 129 5.061 -6.676 6.806 967 2HG ARG 129 2HG ARG 129 6.565 -7.287 6.115 968 1HD ARG 129 1HD ARG 129 7.245 -5.494 7.508 969 2HD ARG 129 2HD ARG 129 7.255 -4.815 5.880 970 HE ARG 129 HE ARG 129 4.713 -4.435 7.264 971 1HH1 ARG 129 1HH1 ARG 129 7.968 -3.383 7.344 972 2HH1 ARG 129 2HH1 ARG 129 7.574 -1.701 7.466 973 1HH2 ARG 129 1HH2 ARG 129 4.158 -2.209 7.148 974 2HH2 ARG 129 2HH2 ARG 129 5.416 -1.036 7.350 975 H VAL 130 H VAL 130 4.071 -6.752 1.901 976 HA VAL 130 HA VAL 130 1.716 -8.206 2.809 977 HB VAL 130 HB VAL 130 0.791 -7.513 0.569 978 1HG1 VAL 130 1HG1 VAL 130 1.026 -6.072 2.799 979 2HG1 VAL 130 2HG1 VAL 130 2.068 -5.091 1.769 980 3HG1 VAL 130 3HG1 VAL 130 0.386 -5.361 1.317 981 1HG2 VAL 130 1HG2 VAL 130 3.519 -7.282 -0.058 982 2HG2 VAL 130 2HG2 VAL 130 2.158 -6.797 -1.071 983 3HG2 VAL 130 3HG2 VAL 130 2.917 -5.625 0.005 984 H ILE 131 H ILE 131 4.383 -8.848 0.622 985 HA ILE 131 HA ILE 131 3.094 -11.137 -0.654 986 HB ILE 131 HB ILE 131 4.909 -9.878 -1.778 987 1HG1 ILE 131 1HG1 ILE 131 5.584 -12.758 -1.087 988 2HG1 ILE 131 2HG1 ILE 131 4.547 -12.219 -2.407 989 1HG2 ILE 131 1HG2 ILE 131 6.122 -9.599 0.530 990 2HG2 ILE 131 2HG2 ILE 131 6.867 -11.144 0.122 991 3HG2 ILE 131 3HG2 ILE 131 7.090 -9.752 -0.936 992 1HD1 ILE 131 1HD1 ILE 131 7.163 -10.914 -2.446 993 2HD1 ILE 131 2HD1 ILE 131 7.283 -12.668 -2.579 994 3HD1 ILE 131 3HD1 ILE 131 6.313 -11.760 -3.739 995 H GLU 132 H GLU 132 5.362 -10.644 2.037 996 HA GLU 132 HA GLU 132 6.022 -13.357 2.526 997 1HB GLU 132 1HB GLU 132 5.712 -10.996 4.394 998 2HB GLU 132 2HB GLU 132 6.272 -12.574 4.948 999 1HG GLU 132 1HG GLU 132 7.612 -11.481 2.532 1000 2HG GLU 132 2HG GLU 132 7.956 -10.660 4.054 1001 H LEU 133 H LEU 133 3.069 -11.604 3.044 1002 HA LEU 133 HA LEU 133 1.928 -13.480 4.958 1003 1HB LEU 133 1HB LEU 133 0.457 -11.550 3.151 1004 2HB LEU 133 2HB LEU 133 -0.110 -12.235 4.675 1005 HG LEU 133 HG LEU 133 2.265 -10.378 4.348 1006 1HD1 LEU 133 1HD1 LEU 133 -0.037 -9.372 4.086 1007 2HD1 LEU 133 2HD1 LEU 133 -0.386 -9.909 5.730 1008 3HD1 LEU 133 3HD1 LEU 133 0.890 -8.727 5.440 1009 1HD2 LEU 133 1HD2 LEU 133 2.510 -12.059 6.172 1010 2HD2 LEU 133 2HD2 LEU 133 2.344 -10.420 6.800 1011 3HD2 LEU 133 3HD2 LEU 133 0.970 -11.524 6.844 1012 H THR 134 H THR 134 1.820 -13.018 1.451 1013 HA THR 134 HA THR 134 -0.215 -14.900 0.838 1014 HB THR 134 HB THR 134 0.839 -14.998 -1.403 1015 HG1 THR 134 HG1 THR 134 2.786 -13.225 -1.021 1016 1HG2 THR 134 1HG2 THR 134 0.645 -12.312 -0.035 1017 2HG2 THR 134 2HG2 THR 134 0.922 -12.466 -1.771 1018 3HG2 THR 134 3HG2 THR 134 -0.558 -13.102 -1.053 1019 H LYS 135 H LYS 135 2.957 -15.384 2.066 1020 HA LYS 135 HA LYS 135 3.337 -18.063 0.991 1021 1HB LYS 135 1HB LYS 135 4.654 -16.603 3.300 1022 2HB LYS 135 2HB LYS 135 5.162 -18.185 2.707 1023 1HG LYS 135 1HG LYS 135 5.181 -16.909 0.370 1024 2HG LYS 135 2HG LYS 135 5.422 -15.505 1.411 1025 1HD LYS 135 1HD LYS 135 7.107 -18.026 1.457 1026 2HD LYS 135 2HD LYS 135 7.583 -16.494 0.723 1027 1HE LYS 135 1HE LYS 135 7.112 -15.461 3.048 1028 2HE LYS 135 2HE LYS 135 7.158 -17.121 3.642 1029 1HZ LYS 135 1HZ LYS 135 9.328 -16.132 1.923 1030 2HZ LYS 135 2HZ LYS 135 9.317 -15.722 3.571 1031 3HZ LYS 135 3HZ LYS 135 9.362 -17.353 3.099 1032 H LYS 136 H LYS 136 2.249 -16.731 4.117 1033 HA LYS 136 HA LYS 136 1.759 -19.391 5.218 1034 1HB LYS 136 1HB LYS 136 2.009 -16.794 6.262 1035 2HB LYS 136 2HB LYS 136 0.335 -17.258 6.575 1036 1HG LYS 136 1HG LYS 136 1.409 -19.531 7.349 1037 2HG LYS 136 2HG LYS 136 2.869 -18.558 7.531 1038 1HD LYS 136 1HD LYS 136 1.954 -17.249 9.218 1039 2HD LYS 136 2HD LYS 136 0.298 -17.530 8.679 1040 1HE LYS 136 1HE LYS 136 0.625 -18.775 10.725 1041 2HE LYS 136 2HE LYS 136 0.552 -19.933 9.396 1042 1HZ LYS 136 1HZ LYS 136 3.136 -18.835 10.299 1043 2HZ LYS 136 2HZ LYS 136 2.427 -20.150 11.108 1044 3HZ LYS 136 3HZ LYS 136 2.826 -20.276 9.460 1045 H ALA 137 H ALA 137 0.063 -17.275 3.143 1046 HA ALA 137 HA ALA 137 -2.607 -18.244 3.922 1047 1HB ALA 137 1HB ALA 137 -1.646 -16.461 1.668 1048 2HB ALA 137 2HB ALA 137 -3.338 -16.889 1.922 1049 3HB ALA 137 3HB ALA 137 -2.471 -15.958 3.143 1050 H MET 138 H MET 138 -1.333 -18.058 0.613 1051 HA MET 138 HA MET 138 -2.412 -20.786 0.144 1052 1HB MET 138 1HB MET 138 -1.947 -18.381 -1.508 1053 2HB MET 138 2HB MET 138 -1.540 -19.906 -2.299 1054 1HG MET 138 1HG MET 138 -4.163 -19.472 -0.857 1055 2HG MET 138 2HG MET 138 -3.956 -19.130 -2.575 1056 1HE MET 138 1HE MET 138 -6.005 -20.462 -2.135 1057 2HE MET 138 2HE MET 138 -6.014 -22.015 -2.965 1058 3HE MET 138 3HE MET 138 -5.995 -21.954 -1.198 Start of MODEL 4 1 1H ALA 1 1H ALA 1 -15.970 0.806 13.243 2 2H ALA 1 2H ALA 1 -15.573 1.444 14.766 3 3H ALA 1 3H ALA 1 -15.929 -0.209 14.601 4 HA ALA 1 HA ALA 1 -18.002 0.276 15.180 5 1HB ALA 1 1HB ALA 1 -17.216 3.142 14.578 6 2HB ALA 1 2HB ALA 1 -18.783 2.672 15.235 7 3HB ALA 1 3HB ALA 1 -17.314 2.379 16.165 8 H MET 2 H MET 2 -17.971 2.927 12.849 9 HA MET 2 HA MET 2 -20.014 1.522 11.268 10 1HB MET 2 1HB MET 2 -19.006 4.286 11.516 11 2HB MET 2 2HB MET 2 -19.459 3.816 9.877 12 1HG MET 2 1HG MET 2 -21.272 3.244 12.218 13 2HG MET 2 2HG MET 2 -21.310 4.802 11.395 14 1HE MET 2 1HE MET 2 -23.438 3.185 11.955 15 2HE MET 2 2HE MET 2 -24.360 3.605 10.513 16 3HE MET 2 3HE MET 2 -24.015 1.914 10.868 17 H THR 3 H THR 3 -19.735 1.533 8.809 18 HA THR 3 HA THR 3 -16.879 1.117 8.041 19 HB THR 3 HB THR 3 -17.435 -1.117 8.149 20 HG1 THR 3 HG1 THR 3 -17.602 -1.722 6.120 21 1HG2 THR 3 1HG2 THR 3 -20.283 -0.317 7.488 22 2HG2 THR 3 2HG2 THR 3 -19.746 -1.973 7.775 23 3HG2 THR 3 3HG2 THR 3 -19.667 -0.783 9.075 24 H TYR 4 H TYR 4 -16.806 0.852 5.528 25 HA TYR 4 HA TYR 4 -18.875 2.424 4.132 26 1HB TYR 4 1HB TYR 4 -17.207 4.001 3.207 27 2HB TYR 4 2HB TYR 4 -17.336 4.146 4.956 28 HD1 TYR 4 HD1 TYR 4 -15.708 2.304 6.225 29 HD2 TYR 4 HD2 TYR 4 -15.047 4.083 2.369 30 HE1 TYR 4 HE1 TYR 4 -13.287 1.872 6.448 31 HE2 TYR 4 HE2 TYR 4 -12.611 3.652 2.591 32 HH TYR 4 HH TYR 4 -11.105 2.290 3.790 33 H HIS 5 H HIS 5 -16.550 2.728 2.033 34 HA HIS 5 HA HIS 5 -16.235 -0.091 1.261 35 1HB HIS 5 1HB HIS 5 -18.173 -0.013 0.057 36 2HB HIS 5 2HB HIS 5 -18.163 1.749 -0.027 37 HD1 HIS 5 HD1 HIS 5 -17.456 -1.206 -2.054 38 HD2 HIS 5 HD2 HIS 5 -16.078 2.709 -1.906 39 HE1 HIS 5 HE1 HIS 5 -16.202 -0.801 -4.220 40 H LEU 6 H LEU 6 -14.414 -0.439 0.062 41 HA LEU 6 HA LEU 6 -12.809 1.937 -0.633 42 1HB LEU 6 1HB LEU 6 -12.244 -0.612 0.515 43 2HB LEU 6 2HB LEU 6 -11.378 -0.484 -1.011 44 HG LEU 6 HG LEU 6 -10.178 1.399 -0.308 45 1HD1 LEU 6 1HD1 LEU 6 -12.396 1.730 1.699 46 2HD1 LEU 6 2HD1 LEU 6 -10.829 2.488 1.976 47 3HD1 LEU 6 3HD1 LEU 6 -11.769 2.907 0.546 48 1HD2 LEU 6 1HD2 LEU 6 -10.642 -0.611 1.845 49 2HD2 LEU 6 2HD2 LEU 6 -9.193 -0.336 0.877 50 3HD2 LEU 6 3HD2 LEU 6 -9.600 0.769 2.185 51 H ASP 7 H ASP 7 -11.955 2.133 -2.781 52 HA ASP 7 HA ASP 7 -12.800 0.082 -4.748 53 1HB ASP 7 1HB ASP 7 -14.318 2.374 -4.389 54 2HB ASP 7 2HB ASP 7 -13.260 2.806 -5.733 55 H VAL 8 H VAL 8 -10.355 -0.110 -4.459 56 HA VAL 8 HA VAL 8 -8.908 1.972 -6.032 57 HB VAL 8 HB VAL 8 -7.909 1.614 -3.862 58 1HG1 VAL 8 1HG1 VAL 8 -8.695 -1.138 -4.407 59 2HG1 VAL 8 2HG1 VAL 8 -7.022 -1.039 -3.857 60 3HG1 VAL 8 3HG1 VAL 8 -8.317 -0.369 -2.865 61 1HG2 VAL 8 1HG2 VAL 8 -6.581 0.945 -6.331 62 2HG2 VAL 8 2HG2 VAL 8 -5.919 1.754 -4.910 63 3HG2 VAL 8 3HG2 VAL 8 -5.887 -0.006 -5.017 64 H VAL 9 H VAL 9 -7.912 1.387 -7.957 65 HA VAL 9 HA VAL 9 -7.732 -1.491 -8.643 66 HB VAL 9 HB VAL 9 -8.863 -1.138 -10.805 67 1HG1 VAL 9 1HG1 VAL 9 -10.500 -0.244 -8.411 68 2HG1 VAL 9 2HG1 VAL 9 -11.162 -0.866 -9.924 69 3HG1 VAL 9 3HG1 VAL 9 -10.195 -1.915 -8.887 70 1HG2 VAL 9 1HG2 VAL 9 -8.350 1.533 -10.338 71 2HG2 VAL 9 2HG2 VAL 9 -9.442 0.918 -11.579 72 3HG2 VAL 9 3HG2 VAL 9 -10.080 1.421 -10.014 73 H SER 10 H SER 10 -6.628 -1.661 -10.907 74 HA SER 10 HA SER 10 -5.016 0.554 -11.817 75 1HB SER 10 1HB SER 10 -3.810 0.106 -9.716 76 2HB SER 10 2HB SER 10 -3.640 -1.589 -10.163 77 HG SER 10 HG SER 10 -2.204 -1.059 -11.678 78 H ALA 11 H ALA 11 -5.071 0.047 -13.958 79 HA ALA 11 HA ALA 11 -4.777 -1.194 -15.933 80 1HB ALA 11 1HB ALA 11 -2.771 -2.064 -14.260 81 2HB ALA 11 2HB ALA 11 -3.616 -3.567 -14.628 82 3HB ALA 11 3HB ALA 11 -2.970 -2.576 -15.936 83 H GLU 12 H GLU 12 -7.082 -1.545 -14.033 84 HA GLU 12 HA GLU 12 -9.028 -2.845 -13.955 85 1HB GLU 12 1HB GLU 12 -7.707 -3.719 -16.489 86 2HB GLU 12 2HB GLU 12 -9.026 -4.709 -15.865 87 1HG GLU 12 1HG GLU 12 -9.665 -1.872 -15.726 88 2HG GLU 12 2HG GLU 12 -9.288 -2.369 -17.376 89 H GLN 13 H GLN 13 -6.423 -3.654 -12.636 90 HA GLN 13 HA GLN 13 -6.471 -6.573 -12.599 91 1HB GLN 13 1HB GLN 13 -4.476 -4.957 -12.083 92 2HB GLN 13 2HB GLN 13 -5.181 -4.881 -10.468 93 1HG GLN 13 1HG GLN 13 -5.227 -7.506 -10.682 94 2HG GLN 13 2HG GLN 13 -3.982 -7.232 -11.901 95 1HE2 GLN 13 2HE2 GLN 13 -1.871 -6.886 -11.139 96 2HE2 GLN 13 1HE2 GLN 13 -1.475 -6.589 -9.515 97 H GLN 14 H GLN 14 -8.074 -4.003 -10.918 98 HA GLN 14 HA GLN 14 -9.742 -4.052 -9.272 99 1HB GLN 14 1HB GLN 14 -9.729 -7.039 -9.804 100 2HB GLN 14 2HB GLN 14 -11.013 -6.122 -9.013 101 1HG GLN 14 1HG GLN 14 -10.851 -4.695 -11.274 102 2HG GLN 14 2HG GLN 14 -10.267 -6.237 -11.900 103 1HE2 GLN 14 2HE2 GLN 14 -11.855 -7.975 -10.216 104 2HE2 GLN 14 1HE2 GLN 14 -13.480 -7.793 -10.670 105 H MET 15 H MET 15 -8.605 -3.482 -7.431 106 HA MET 15 HA MET 15 -7.124 -5.627 -5.991 107 1HB MET 15 1HB MET 15 -7.187 -2.629 -5.514 108 2HB MET 15 2HB MET 15 -6.156 -3.786 -4.670 109 1HG MET 15 1HG MET 15 -6.125 -3.505 -7.680 110 2HG MET 15 2HG MET 15 -5.084 -2.537 -6.636 111 1HE MET 15 1HE MET 15 -3.366 -2.944 -5.650 112 2HE MET 15 2HE MET 15 -2.548 -4.442 -5.215 113 3HE MET 15 3HE MET 15 -2.347 -3.759 -6.832 114 H PHE 16 H PHE 16 -9.203 -2.862 -5.034 115 HA PHE 16 HA PHE 16 -10.674 -4.740 -3.246 116 1HB PHE 16 1HB PHE 16 -8.962 -3.473 -1.921 117 2HB PHE 16 2HB PHE 16 -9.745 -1.974 -2.418 118 HD1 PHE 16 HD1 PHE 16 -12.281 -4.378 -2.218 119 HD2 PHE 16 HD2 PHE 16 -9.753 -1.994 0.316 120 HE1 PHE 16 HE1 PHE 16 -13.898 -4.624 -0.363 121 HE2 PHE 16 HE2 PHE 16 -11.374 -2.237 2.150 122 HZ PHE 16 HZ PHE 16 -13.438 -3.560 1.824 123 H SER 17 H SER 17 -12.726 -4.669 -4.037 124 HA SER 17 HA SER 17 -13.916 -1.984 -4.481 125 1HB SER 17 1HB SER 17 -14.905 -2.609 -6.544 126 2HB SER 17 2HB SER 17 -13.251 -3.206 -6.657 127 HG SER 17 HG SER 17 -15.509 -4.577 -6.827 128 H GLY 18 H GLY 18 -14.745 -2.488 -2.272 129 1HA GLY 18 1HA GLY 18 -17.433 -3.444 -2.341 130 2HA GLY 18 2HA GLY 18 -16.403 -4.713 -1.674 131 H LEU 19 H LEU 19 -18.118 -3.935 0.138 132 HA LEU 19 HA LEU 19 -17.603 -1.538 1.587 133 1HB LEU 19 1HB LEU 19 -18.529 -4.178 2.753 134 2HB LEU 19 2HB LEU 19 -18.810 -2.568 3.417 135 HG LEU 19 HG LEU 19 -19.991 -3.799 0.925 136 1HD1 LEU 19 1HD1 LEU 19 -20.880 -3.444 3.559 137 2HD1 LEU 19 2HD1 LEU 19 -21.690 -2.176 2.637 138 3HD1 LEU 19 3HD1 LEU 19 -21.874 -3.865 2.163 139 1HD2 LEU 19 1HD2 LEU 19 -19.415 -0.937 1.536 140 2HD2 LEU 19 2HD2 LEU 19 -19.564 -1.745 -0.025 141 3HD2 LEU 19 3HD2 LEU 19 -21.012 -1.301 0.881 142 H VAL 20 H VAL 20 -16.519 -1.397 3.740 143 HA VAL 20 HA VAL 20 -14.492 -3.404 4.372 144 HB VAL 20 HB VAL 20 -12.813 -2.506 3.177 145 1HG1 VAL 20 1HG1 VAL 20 -14.897 -0.453 2.520 146 2HG1 VAL 20 2HG1 VAL 20 -13.231 -0.192 2.010 147 3HG1 VAL 20 3HG1 VAL 20 -14.108 -1.620 1.460 148 1HG2 VAL 20 1HG2 VAL 20 -13.345 -0.058 4.881 149 2HG2 VAL 20 2HG2 VAL 20 -12.118 -1.306 5.135 150 3HG2 VAL 20 3HG2 VAL 20 -11.971 -0.191 3.773 151 H GLU 21 H GLU 21 -13.367 -2.846 6.415 152 HA GLU 21 HA GLU 21 -14.994 -0.898 7.995 153 1HB GLU 21 1HB GLU 21 -14.595 -3.640 8.435 154 2HB GLU 21 2HB GLU 21 -13.556 -2.835 9.611 155 1HG GLU 21 1HG GLU 21 -15.654 -1.319 10.028 156 2HG GLU 21 2HG GLU 21 -16.540 -2.654 9.289 157 H LYS 22 H LYS 22 -11.714 -2.401 7.921 158 HA LYS 22 HA LYS 22 -10.671 0.299 8.617 159 1HB LYS 22 1HB LYS 22 -10.484 -2.172 10.252 160 2HB LYS 22 2HB LYS 22 -9.022 -1.194 10.134 161 1HG LYS 22 1HG LYS 22 -10.040 -0.144 11.924 162 2HG LYS 22 2HG LYS 22 -10.738 0.787 10.599 163 1HD LYS 22 1HD LYS 22 -12.809 -0.218 10.797 164 2HD LYS 22 2HD LYS 22 -12.136 -1.719 11.430 165 1HE LYS 22 1HE LYS 22 -11.439 0.071 13.393 166 2HE LYS 22 2HE LYS 22 -12.999 0.704 12.868 167 1HZ LYS 22 1HZ LYS 22 -12.665 -2.177 13.374 168 2HZ LYS 22 2HZ LYS 22 -12.927 -1.115 14.669 169 3HZ LYS 22 3HZ LYS 22 -14.079 -1.236 13.426 170 H ILE 23 H ILE 23 -9.417 0.723 6.871 171 HA ILE 23 HA ILE 23 -7.618 -1.432 5.828 172 HB ILE 23 HB ILE 23 -8.652 -0.598 3.937 173 1HG1 ILE 23 1HG1 ILE 23 -6.408 1.397 4.386 174 2HG1 ILE 23 2HG1 ILE 23 -6.254 -0.189 3.630 175 1HG2 ILE 23 1HG2 ILE 23 -8.712 2.107 5.282 176 2HG2 ILE 23 2HG2 ILE 23 -9.355 1.759 3.683 177 3HG2 ILE 23 3HG2 ILE 23 -10.067 0.997 5.101 178 1HD1 ILE 23 1HD1 ILE 23 -8.012 2.049 2.585 179 2HD1 ILE 23 2HD1 ILE 23 -6.410 1.661 1.959 180 3HD1 ILE 23 3HD1 ILE 23 -7.724 0.494 1.805 181 H GLN 24 H GLN 24 -5.285 -0.785 5.552 182 HA GLN 24 HA GLN 24 -4.506 1.690 6.993 183 1HB GLN 24 1HB GLN 24 -4.630 -0.540 8.469 184 2HB GLN 24 2HB GLN 24 -3.027 -0.778 7.772 185 1HG GLN 24 1HG GLN 24 -3.387 1.969 8.650 186 2HG GLN 24 2HG GLN 24 -3.662 0.837 9.974 187 1HE2 GLN 24 2HE2 GLN 24 -1.453 2.180 10.492 188 2HE2 GLN 24 1HE2 GLN 24 -0.035 1.358 10.051 189 H VAL 25 H VAL 25 -3.139 2.686 5.616 190 HA VAL 25 HA VAL 25 -1.353 1.009 3.910 191 HB VAL 25 HB VAL 25 -1.809 3.979 3.612 192 1HG1 VAL 25 1HG1 VAL 25 -0.185 2.092 2.316 193 2HG1 VAL 25 2HG1 VAL 25 -1.534 2.362 1.214 194 3HG1 VAL 25 3HG1 VAL 25 -0.552 3.723 1.757 195 1HG2 VAL 25 1HG2 VAL 25 -3.771 1.904 3.359 196 2HG2 VAL 25 2HG2 VAL 25 -3.944 3.620 2.989 197 3HG2 VAL 25 3HG2 VAL 25 -3.383 2.502 1.746 198 H THR 26 H THR 26 0.844 1.088 4.244 199 HA THR 26 HA THR 26 1.861 3.176 6.133 200 HB THR 26 HB THR 26 2.667 0.257 5.939 201 HG1 THR 26 HG1 THR 26 1.224 1.825 7.778 202 1HG2 THR 26 1HG2 THR 26 4.076 2.606 6.920 203 2HG2 THR 26 2HG2 THR 26 3.819 1.423 8.202 204 3HG2 THR 26 3HG2 THR 26 4.659 0.954 6.725 205 H GLY 27 H GLY 27 2.896 4.537 4.692 206 1HA GLY 27 1HA GLY 27 4.928 3.262 2.900 207 2HA GLY 27 2HA GLY 27 3.996 4.678 2.408 208 H SER 28 H SER 28 4.900 6.644 2.808 209 HA SER 28 HA SER 28 6.981 6.818 4.944 210 1HB SER 28 1HB SER 28 8.168 6.675 2.824 211 2HB SER 28 2HB SER 28 7.144 7.925 2.125 212 HG SER 28 HG SER 28 8.733 9.146 2.828 213 H GLU 29 H GLU 29 5.773 9.210 2.600 214 HA GLU 29 HA GLU 29 5.476 11.264 4.556 215 1HB GLU 29 1HB GLU 29 4.790 10.879 1.718 216 2HB GLU 29 2HB GLU 29 3.713 11.983 2.574 217 1HG GLU 29 1HG GLU 29 6.739 12.167 2.543 218 2HG GLU 29 2HG GLU 29 5.647 13.184 1.602 219 H GLY 30 H GLY 30 3.362 8.657 3.599 220 1HA GLY 30 1HA GLY 30 1.196 9.854 5.280 221 2HA GLY 30 2HA GLY 30 0.904 8.706 3.974 222 H GLU 31 H GLU 31 0.152 8.471 6.816 223 HA GLU 31 HA GLU 31 1.402 5.820 7.301 224 1HB GLU 31 1HB GLU 31 2.453 7.809 8.677 225 2HB GLU 31 2HB GLU 31 0.982 7.660 9.639 226 1HG GLU 31 1HG GLU 31 1.514 5.517 10.374 227 2HG GLU 31 2HG GLU 31 2.543 5.185 8.979 228 H LEU 32 H LEU 32 -1.320 7.328 6.646 229 HA LEU 32 HA LEU 32 -2.930 5.786 8.644 230 1HB LEU 32 1HB LEU 32 -3.299 8.472 7.406 231 2HB LEU 32 2HB LEU 32 -4.756 7.499 7.647 232 HG LEU 32 HG LEU 32 -2.709 7.988 9.829 233 1HD1 LEU 32 1HD1 LEU 32 -5.267 9.480 9.181 234 2HD1 LEU 32 2HD1 LEU 32 -4.400 9.623 10.710 235 3HD1 LEU 32 3HD1 LEU 32 -3.633 10.143 9.209 236 1HD2 LEU 32 1HD2 LEU 32 -5.102 6.369 9.532 237 2HD2 LEU 32 2HD2 LEU 32 -3.937 6.396 10.856 238 3HD2 LEU 32 3HD2 LEU 32 -5.289 7.529 10.848 239 H GLY 33 H GLY 33 -4.867 4.768 7.810 240 1HA GLY 33 1HA GLY 33 -4.549 3.944 4.969 241 2HA GLY 33 2HA GLY 33 -5.466 3.059 6.191 242 H ILE 34 H ILE 34 -7.625 3.299 6.086 243 HA ILE 34 HA ILE 34 -8.811 5.902 5.444 244 HB ILE 34 HB ILE 34 -9.088 3.527 3.591 245 1HG1 ILE 34 1HG1 ILE 34 -7.314 5.207 3.130 246 2HG1 ILE 34 2HG1 ILE 34 -8.567 5.216 1.888 247 1HG2 ILE 34 1HG2 ILE 34 -11.339 4.535 4.312 248 2HG2 ILE 34 2HG2 ILE 34 -10.802 6.019 3.530 249 3HG2 ILE 34 3HG2 ILE 34 -11.002 4.547 2.583 250 1HD1 ILE 34 1HD1 ILE 34 -9.712 7.033 3.307 251 2HD1 ILE 34 2HD1 ILE 34 -8.160 7.182 4.141 252 3HD1 ILE 34 3HD1 ILE 34 -8.266 7.504 2.409 253 H TYR 35 H TYR 35 -10.890 6.073 6.252 254 HA TYR 35 HA TYR 35 -12.338 3.693 7.194 255 1HB TYR 35 1HB TYR 35 -11.853 5.779 9.282 256 2HB TYR 35 2HB TYR 35 -12.137 4.052 9.472 257 HD1 TYR 35 HD1 TYR 35 -9.586 6.602 8.557 258 HD2 TYR 35 HD2 TYR 35 -10.346 2.471 9.470 259 HE1 TYR 35 HE1 TYR 35 -7.149 6.193 8.746 260 HE2 TYR 35 HE2 TYR 35 -7.908 2.066 9.658 261 HH TYR 35 HH TYR 35 -5.770 3.236 8.647 262 HA PRO 36 HA PRO 36 -15.768 6.445 6.762 263 1HB PRO 36 1HB PRO 36 -17.216 6.308 9.097 264 2HB PRO 36 2HB PRO 36 -17.164 5.009 7.894 265 1HG PRO 36 1HG PRO 36 -15.861 5.143 10.562 266 2HG PRO 36 2HG PRO 36 -16.308 3.723 9.604 267 1HD PRO 36 1HD PRO 36 -13.707 4.833 9.873 268 2HD PRO 36 2HD PRO 36 -14.195 3.562 8.730 269 H GLY 37 H GLY 37 -13.323 7.396 8.677 270 1HA GLY 37 1HA GLY 37 -14.534 10.081 9.108 271 2HA GLY 37 2HA GLY 37 -13.658 9.312 10.433 272 H HIS 38 H HIS 38 -12.372 8.481 7.406 273 HA HIS 38 HA HIS 38 -9.821 9.564 7.882 274 1HB HIS 38 1HB HIS 38 -10.204 7.855 6.174 275 2HB HIS 38 2HB HIS 38 -11.164 8.988 5.222 276 HD1 HIS 38 HD1 HIS 38 -7.619 8.579 6.543 277 HD2 HIS 38 HD2 HIS 38 -9.660 10.579 3.509 278 HE1 HIS 38 HE1 HIS 38 -5.852 9.660 5.085 279 H ALA 39 H ALA 39 -8.742 11.414 6.891 280 HA ALA 39 HA ALA 39 -10.327 13.823 7.011 281 1HB ALA 39 1HB ALA 39 -7.520 13.114 6.786 282 2HB ALA 39 2HB ALA 39 -7.924 14.445 5.701 283 3HB ALA 39 3HB ALA 39 -8.248 14.586 7.429 284 HA PRO 40 HA PRO 40 -11.405 14.427 2.799 285 1HB PRO 40 1HB PRO 40 -10.819 17.087 2.409 286 2HB PRO 40 2HB PRO 40 -12.197 16.517 3.368 287 1HG PRO 40 1HG PRO 40 -9.616 17.688 4.299 288 2HG PRO 40 2HG PRO 40 -11.199 17.685 5.094 289 1HD PRO 40 1HD PRO 40 -9.022 15.987 5.726 290 2HD PRO 40 2HD PRO 40 -10.701 15.787 6.275 291 H LEU 41 H LEU 41 -9.457 13.014 2.171 292 HA LEU 41 HA LEU 41 -7.240 14.586 0.961 293 1HB LEU 41 1HB LEU 41 -7.495 11.925 2.135 294 2HB LEU 41 2HB LEU 41 -6.706 11.881 0.557 295 HG LEU 41 HG LEU 41 -5.012 12.222 2.273 296 1HD1 LEU 41 1HD1 LEU 41 -5.416 13.861 0.058 297 2HD1 LEU 41 2HD1 LEU 41 -5.072 14.998 1.362 298 3HD1 LEU 41 3HD1 LEU 41 -3.919 13.719 0.979 299 1HD2 LEU 41 1HD2 LEU 41 -6.803 13.321 3.829 300 2HD2 LEU 41 2HD2 LEU 41 -5.135 13.885 3.932 301 3HD2 LEU 41 3HD2 LEU 41 -6.329 14.822 3.034 302 H LEU 42 H LEU 42 -6.902 14.598 -1.257 303 HA LEU 42 HA LEU 42 -8.426 12.788 -3.001 304 1HB LEU 42 1HB LEU 42 -9.239 14.942 -4.282 305 2HB LEU 42 2HB LEU 42 -10.161 14.346 -2.901 306 HG LEU 42 HG LEU 42 -7.961 16.174 -2.188 307 1HD1 LEU 42 1HD1 LEU 42 -10.239 17.023 -3.976 308 2HD1 LEU 42 2HD1 LEU 42 -9.496 18.156 -2.848 309 3HD1 LEU 42 3HD1 LEU 42 -8.525 17.414 -4.120 310 1HD2 LEU 42 1HD2 LEU 42 -10.672 15.415 -1.335 311 2HD2 LEU 42 2HD2 LEU 42 -9.306 15.971 -0.369 312 3HD2 LEU 42 3HD2 LEU 42 -10.344 17.141 -1.183 313 H THR 43 H THR 43 -5.590 13.509 -2.417 314 HA THR 43 HA THR 43 -4.820 14.386 -5.173 315 HB THR 43 HB THR 43 -2.918 15.512 -4.284 316 HG1 THR 43 HG1 THR 43 -2.005 14.817 -2.544 317 1HG2 THR 43 1HG2 THR 43 -5.191 16.585 -3.889 318 2HG2 THR 43 2HG2 THR 43 -5.074 16.013 -2.224 319 3HG2 THR 43 3HG2 THR 43 -3.888 17.160 -2.848 320 H ALA 44 H ALA 44 -1.958 13.690 -4.157 321 HA ALA 44 HA ALA 44 -2.187 10.803 -4.837 322 1HB ALA 44 1HB ALA 44 -0.664 12.267 -6.191 323 2HB ALA 44 2HB ALA 44 0.287 12.558 -4.734 324 3HB ALA 44 3HB ALA 44 0.178 10.931 -5.407 325 H ILE 45 H ILE 45 -2.090 9.390 -3.158 326 HA ILE 45 HA ILE 45 -0.128 9.753 -1.020 327 HB ILE 45 HB ILE 45 -1.920 9.637 0.781 328 1HG1 ILE 45 1HG1 ILE 45 -3.948 10.927 -0.823 329 2HG1 ILE 45 2HG1 ILE 45 -3.569 9.343 -1.500 330 1HG2 ILE 45 1HG2 ILE 45 -0.671 11.748 -0.160 331 2HG2 ILE 45 2HG2 ILE 45 -2.253 12.154 -0.825 332 3HG2 ILE 45 3HG2 ILE 45 -2.050 11.967 0.916 333 1HD1 ILE 45 1HD1 ILE 45 -4.274 9.885 1.400 334 2HD1 ILE 45 2HD1 ILE 45 -5.357 9.182 0.199 335 3HD1 ILE 45 3HD1 ILE 45 -3.913 8.304 0.705 336 H LYS 46 H LYS 46 -1.145 7.960 0.826 337 HA LYS 46 HA LYS 46 -1.544 5.684 1.223 338 1HB LYS 46 1HB LYS 46 -2.982 6.262 -1.208 339 2HB LYS 46 2HB LYS 46 -2.265 4.653 -1.306 340 1HG LYS 46 1HG LYS 46 -3.204 4.259 1.044 341 2HG LYS 46 2HG LYS 46 -4.156 5.723 0.795 342 1HD LYS 46 1HD LYS 46 -5.146 4.742 -1.238 343 2HD LYS 46 2HD LYS 46 -4.187 3.281 -1.003 344 1HE LYS 46 1HE LYS 46 -5.286 3.145 1.324 345 2HE LYS 46 2HE LYS 46 -6.436 4.335 0.714 346 1HZ LYS 46 1HZ LYS 46 -6.656 2.720 -1.251 347 2HZ LYS 46 2HZ LYS 46 -5.967 1.575 -0.208 348 3HZ LYS 46 3HZ LYS 46 -7.431 2.328 0.208 349 HA PRO 47 HA PRO 47 2.338 4.837 -1.350 350 1HB PRO 47 1HB PRO 47 4.265 5.767 0.367 351 2HB PRO 47 2HB PRO 47 3.550 6.759 -0.917 352 1HG PRO 47 1HG PRO 47 3.065 6.861 2.026 353 2HG PRO 47 2HG PRO 47 2.928 8.151 0.821 354 1HD PRO 47 1HD PRO 47 0.773 6.703 1.940 355 2HD PRO 47 2HD PRO 47 0.712 7.742 0.502 356 H GLY 48 H GLY 48 3.732 3.016 -0.854 357 1HA GLY 48 1HA GLY 48 4.738 1.404 0.618 358 2HA GLY 48 2HA GLY 48 3.713 1.994 1.922 359 H MET 49 H MET 49 3.065 -0.165 2.431 360 HA MET 49 HA MET 49 1.477 -1.596 0.365 361 1HB MET 49 1HB MET 49 1.534 -3.483 1.979 362 2HB MET 49 2HB MET 49 3.155 -2.924 1.564 363 1HG MET 49 1HG MET 49 3.524 -2.007 3.648 364 2HG MET 49 2HG MET 49 1.818 -1.653 3.911 365 1HE MET 49 1HE MET 49 0.141 -2.983 4.408 366 2HE MET 49 2HE MET 49 0.196 -4.576 3.656 367 3HE MET 49 3HE MET 49 0.197 -4.437 5.412 368 H ILE 50 H ILE 50 -0.385 -2.934 1.822 369 HA ILE 50 HA ILE 50 -1.775 -1.000 3.568 370 HB ILE 50 HB ILE 50 -2.925 -1.995 0.948 371 1HG1 ILE 50 1HG1 ILE 50 -2.326 0.770 2.050 372 2HG1 ILE 50 2HG1 ILE 50 -1.489 -0.029 0.719 373 1HG2 ILE 50 1HG2 ILE 50 -4.191 -0.710 3.367 374 2HG2 ILE 50 2HG2 ILE 50 -4.893 -0.514 1.761 375 3HG2 ILE 50 3HG2 ILE 50 -4.734 -2.124 2.463 376 1HD1 ILE 50 1HD1 ILE 50 -4.466 0.492 0.663 377 2HD1 ILE 50 2HD1 ILE 50 -3.294 1.665 0.060 378 3HD1 ILE 50 3HD1 ILE 50 -3.411 0.072 -0.686 379 H ARG 51 H ARG 51 -3.555 -1.972 4.724 380 HA ARG 51 HA ARG 51 -3.955 -4.884 4.468 381 1HB ARG 51 1HB ARG 51 -1.998 -4.183 6.156 382 2HB ARG 51 2HB ARG 51 -3.368 -3.891 7.228 383 1HG ARG 51 1HG ARG 51 -3.699 -6.099 7.533 384 2HG ARG 51 2HG ARG 51 -3.681 -6.398 5.794 385 1HD ARG 51 1HD ARG 51 -1.336 -6.676 5.745 386 2HD ARG 51 2HD ARG 51 -1.124 -5.896 7.311 387 HE ARG 51 HE ARG 51 -1.303 -8.625 7.091 388 1HH1 ARG 51 1HH1 ARG 51 -4.285 -8.292 7.260 389 2HH1 ARG 51 2HH1 ARG 51 -4.558 -8.377 8.968 390 1HH2 ARG 51 1HH2 ARG 51 -1.239 -7.824 9.798 391 2HH2 ARG 51 2HH2 ARG 51 -2.836 -8.112 10.404 392 H ILE 52 H ILE 52 -6.151 -5.024 4.460 393 HA ILE 52 HA ILE 52 -7.654 -3.144 6.233 394 HB ILE 52 HB ILE 52 -8.795 -4.348 3.746 395 1HG1 ILE 52 1HG1 ILE 52 -7.178 -1.801 3.878 396 2HG1 ILE 52 2HG1 ILE 52 -6.648 -3.299 3.118 397 1HG2 ILE 52 1HG2 ILE 52 -9.406 -2.032 5.526 398 2HG2 ILE 52 2HG2 ILE 52 -9.899 -1.969 3.832 399 3HG2 ILE 52 3HG2 ILE 52 -10.493 -3.259 4.877 400 1HD1 ILE 52 1HD1 ILE 52 -9.290 -2.157 2.303 401 2HD1 ILE 52 2HD1 ILE 52 -7.823 -1.399 1.685 402 3HD1 ILE 52 3HD1 ILE 52 -8.139 -3.103 1.360 403 H VAL 53 H VAL 53 -9.779 -3.964 6.944 404 HA VAL 53 HA VAL 53 -9.889 -6.936 7.088 405 HB VAL 53 HB VAL 53 -10.186 -4.955 9.364 406 1HG1 VAL 53 1HG1 VAL 53 -11.905 -6.830 9.303 407 2HG1 VAL 53 2HG1 VAL 53 -10.557 -7.954 9.478 408 3HG1 VAL 53 3HG1 VAL 53 -10.892 -6.775 10.746 409 1HG2 VAL 53 1HG2 VAL 53 -7.911 -6.056 8.425 410 2HG2 VAL 53 2HG2 VAL 53 -8.177 -5.758 10.143 411 3HG2 VAL 53 3HG2 VAL 53 -8.443 -7.368 9.474 412 H LYS 54 H LYS 54 -11.791 -7.552 6.259 413 HA LYS 54 HA LYS 54 -14.335 -7.121 7.056 414 1HB LYS 54 1HB LYS 54 -14.246 -4.728 6.889 415 2HB LYS 54 2HB LYS 54 -13.529 -4.803 5.277 416 1HG LYS 54 1HG LYS 54 -15.572 -4.908 4.329 417 2HG LYS 54 2HG LYS 54 -15.999 -6.299 5.326 418 1HD LYS 54 1HD LYS 54 -16.010 -4.005 7.015 419 2HD LYS 54 2HD LYS 54 -16.926 -3.599 5.563 420 1HE LYS 54 1HE LYS 54 -17.439 -6.286 6.721 421 2HE LYS 54 2HE LYS 54 -18.016 -4.910 7.662 422 1HZ LYS 54 1HZ LYS 54 -18.552 -4.692 4.846 423 2HZ LYS 54 2HZ LYS 54 -19.314 -6.023 5.570 424 3HZ LYS 54 3HZ LYS 54 -19.590 -4.457 6.171 425 H GLN 55 H GLN 55 -14.031 -5.990 3.778 426 HA GLN 55 HA GLN 55 -14.800 -7.083 1.824 427 1HB GLN 55 1HB GLN 55 -12.348 -7.495 1.905 428 2HB GLN 55 2HB GLN 55 -12.651 -9.001 2.773 429 1HG GLN 55 1HG GLN 55 -14.346 -9.032 0.503 430 2HG GLN 55 2HG GLN 55 -12.759 -8.511 -0.064 431 1HE2 GLN 55 2HE2 GLN 55 -14.203 -11.202 -0.340 432 2HE2 GLN 55 1HE2 GLN 55 -13.089 -12.337 0.253 433 H HIS 56 H HIS 56 -16.590 -7.694 3.828 434 HA HIS 56 HA HIS 56 -18.380 -9.226 4.044 435 1HB HIS 56 1HB HIS 56 -17.437 -10.069 1.720 436 2HB HIS 56 2HB HIS 56 -16.807 -11.397 2.698 437 HD1 HIS 56 HD1 HIS 56 -19.255 -11.511 0.578 438 HD2 HIS 56 HD2 HIS 56 -19.553 -11.461 4.736 439 HE1 HIS 56 HE1 HIS 56 -21.501 -12.535 1.148 440 H GLY 57 H GLY 57 -15.431 -11.272 4.081 441 1HA GLY 57 1HA GLY 57 -15.461 -11.403 6.998 442 2HA GLY 57 2HA GLY 57 -16.011 -12.892 6.228 443 H HIS 58 H HIS 58 -13.273 -10.617 6.329 444 HA HIS 58 HA HIS 58 -11.252 -12.517 6.621 445 1HB HIS 58 1HB HIS 58 -12.405 -12.659 4.005 446 2HB HIS 58 2HB HIS 58 -10.767 -12.025 3.851 447 HD1 HIS 58 HD1 HIS 58 -9.118 -13.854 3.547 448 HD2 HIS 58 HD2 HIS 58 -12.255 -15.039 6.023 449 HE1 HIS 58 HE1 HIS 58 -8.622 -16.239 4.235 450 H GLU 59 H GLU 59 -9.259 -11.481 4.865 451 HA GLU 59 HA GLU 59 -9.302 -8.556 5.461 452 1HB GLU 59 1HB GLU 59 -6.827 -8.814 6.045 453 2HB GLU 59 2HB GLU 59 -7.964 -9.457 7.230 454 1HG GLU 59 1HG GLU 59 -7.168 -11.548 6.968 455 2HG GLU 59 2HG GLU 59 -7.330 -11.447 5.215 456 H GLU 60 H GLU 60 -7.785 -7.330 4.075 457 HA GLU 60 HA GLU 60 -6.708 -8.804 1.741 458 1HB GLU 60 1HB GLU 60 -8.968 -6.836 1.671 459 2HB GLU 60 2HB GLU 60 -7.819 -6.855 0.333 460 1HG GLU 60 1HG GLU 60 -8.273 -9.516 0.602 461 2HG GLU 60 2HG GLU 60 -9.835 -8.882 1.121 462 H PHE 61 H PHE 61 -4.637 -8.087 1.629 463 HA PHE 61 HA PHE 61 -4.067 -5.274 2.438 464 1HB PHE 61 1HB PHE 61 -1.643 -6.132 2.368 465 2HB PHE 61 2HB PHE 61 -2.672 -6.768 3.651 466 HD1 PHE 61 HD1 PHE 61 -1.025 -7.509 0.446 467 HD2 PHE 61 HD2 PHE 61 -3.465 -9.077 3.611 468 HE1 PHE 61 HE1 PHE 61 -0.612 -9.809 -0.380 469 HE2 PHE 61 HE2 PHE 61 -3.057 -11.381 2.783 470 HZ PHE 61 HZ PHE 61 -1.630 -11.747 0.788 471 H ILE 62 H ILE 62 -3.144 -3.846 0.965 472 HA ILE 62 HA ILE 62 -2.854 -4.887 -1.824 473 HB ILE 62 HB ILE 62 -3.243 -1.974 -1.414 474 1HG1 ILE 62 1HG1 ILE 62 -5.431 -4.012 -0.883 475 2HG1 ILE 62 2HG1 ILE 62 -4.832 -2.788 0.239 476 1HG2 ILE 62 1HG2 ILE 62 -3.417 -3.888 -3.488 477 2HG2 ILE 62 2HG2 ILE 62 -5.060 -3.305 -3.218 478 3HG2 ILE 62 3HG2 ILE 62 -3.770 -2.164 -3.593 479 1HD1 ILE 62 1HD1 ILE 62 -6.208 -2.224 -2.405 480 2HD1 ILE 62 2HD1 ILE 62 -6.950 -2.069 -0.812 481 3HD1 ILE 62 3HD1 ILE 62 -5.619 -1.007 -1.272 482 H TYR 63 H TYR 63 -1.670 -2.415 -2.772 483 HA TYR 63 HA TYR 63 0.629 -1.659 -1.266 484 1HB TYR 63 1HB TYR 63 1.611 -3.769 -1.462 485 2HB TYR 63 2HB TYR 63 0.897 -4.065 -3.044 486 HD1 TYR 63 HD1 TYR 63 3.421 -1.916 -1.292 487 HD2 TYR 63 HD2 TYR 63 2.119 -3.651 -5.003 488 HE1 TYR 63 HE1 TYR 63 5.500 -1.129 -2.391 489 HE2 TYR 63 HE2 TYR 63 4.199 -2.864 -6.100 490 HH TYR 63 HH TYR 63 6.439 -0.721 -4.468 491 H LEU 64 H LEU 64 0.715 0.368 -2.090 492 HA LEU 64 HA LEU 64 0.904 0.653 -5.054 493 1HB LEU 64 1HB LEU 64 -0.607 2.608 -3.306 494 2HB LEU 64 2HB LEU 64 -0.599 2.508 -5.067 495 HG LEU 64 HG LEU 64 -1.422 -0.024 -4.324 496 1HD1 LEU 64 1HD1 LEU 64 -1.794 1.647 -2.064 497 2HD1 LEU 64 2HD1 LEU 64 -3.390 1.407 -2.778 498 3HD1 LEU 64 3HD1 LEU 64 -2.416 0.015 -2.304 499 1HD2 LEU 64 1HD2 LEU 64 -2.728 2.480 -5.295 500 2HD2 LEU 64 2HD2 LEU 64 -2.608 0.902 -6.074 501 3HD2 LEU 64 3HD2 LEU 64 -3.785 1.162 -4.786 502 H SER 65 H SER 65 1.562 3.154 -5.430 503 HA SER 65 HA SER 65 3.718 3.779 -3.451 504 1HB SER 65 1HB SER 65 4.318 4.787 -6.088 505 2HB SER 65 2HB SER 65 5.257 3.678 -5.091 506 HG SER 65 HG SER 65 4.277 1.992 -6.024 507 H GLY 66 H GLY 66 2.376 5.420 -6.331 508 1HA GLY 66 1HA GLY 66 1.561 7.670 -4.544 509 2HA GLY 66 2HA GLY 66 2.487 7.989 -6.011 510 H GLY 67 H GLY 67 -0.439 6.133 -5.087 511 1HA GLY 67 1HA GLY 67 -1.611 6.655 -7.734 512 2HA GLY 67 2HA GLY 67 -2.345 5.699 -6.447 513 H ILE 68 H ILE 68 -4.143 7.265 -7.495 514 HA ILE 68 HA ILE 68 -4.145 9.855 -6.024 515 HB ILE 68 HB ILE 68 -6.208 8.977 -8.044 516 1HG1 ILE 68 1HG1 ILE 68 -4.065 8.659 -9.148 517 2HG1 ILE 68 2HG1 ILE 68 -4.781 10.156 -9.746 518 1HG2 ILE 68 1HG2 ILE 68 -6.589 11.014 -6.651 519 2HG2 ILE 68 2HG2 ILE 68 -5.089 11.693 -7.285 520 3HG2 ILE 68 3HG2 ILE 68 -6.447 11.385 -8.369 521 1HD1 ILE 68 1HD1 ILE 68 -3.439 11.318 -7.863 522 2HD1 ILE 68 2HD1 ILE 68 -2.518 9.816 -7.782 523 3HD1 ILE 68 3HD1 ILE 68 -2.545 10.755 -9.274 524 H LEU 69 H LEU 69 -5.185 9.844 -4.097 525 HA LEU 69 HA LEU 69 -7.247 7.772 -3.598 526 1HB LEU 69 1HB LEU 69 -5.409 9.380 -1.891 527 2HB LEU 69 2HB LEU 69 -6.969 8.933 -1.198 528 HG LEU 69 HG LEU 69 -5.173 7.245 -0.748 529 1HD1 LEU 69 1HD1 LEU 69 -7.805 6.820 -1.845 530 2HD1 LEU 69 2HD1 LEU 69 -6.744 5.497 -2.327 531 3HD1 LEU 69 3HD1 LEU 69 -6.956 5.878 -0.619 532 1HD2 LEU 69 1HD2 LEU 69 -5.312 6.892 -3.759 533 2HD2 LEU 69 2HD2 LEU 69 -3.933 7.519 -2.858 534 3HD2 LEU 69 3HD2 LEU 69 -4.431 5.840 -2.653 535 H GLU 70 H GLU 70 -9.258 8.414 -2.555 536 HA GLU 70 HA GLU 70 -9.991 11.258 -2.584 537 1HB GLU 70 1HB GLU 70 -10.305 10.095 -4.960 538 2HB GLU 70 2HB GLU 70 -11.775 9.481 -4.202 539 1HG GLU 70 1HG GLU 70 -11.955 12.057 -3.443 540 2HG GLU 70 2HG GLU 70 -11.047 12.271 -4.941 541 H VAL 71 H VAL 71 -11.494 11.605 -0.982 542 HA VAL 71 HA VAL 71 -12.622 9.184 0.329 543 HB VAL 71 HB VAL 71 -11.336 10.834 1.704 544 1HG1 VAL 71 1HG1 VAL 71 -13.639 12.635 0.903 545 2HG1 VAL 71 2HG1 VAL 71 -12.523 12.992 2.221 546 3HG1 VAL 71 3HG1 VAL 71 -11.927 12.888 0.564 547 1HG2 VAL 71 1HG2 VAL 71 -13.660 9.495 2.312 548 2HG2 VAL 71 2HG2 VAL 71 -12.661 10.348 3.488 549 3HG2 VAL 71 3HG2 VAL 71 -14.063 11.148 2.780 550 H GLN 72 H GLN 72 -14.804 8.817 0.381 551 HA GLN 72 HA GLN 72 -16.555 10.888 -0.882 552 1HB GLN 72 1HB GLN 72 -16.159 8.086 -1.500 553 2HB GLN 72 2HB GLN 72 -17.838 8.384 -1.049 554 1HG GLN 72 1HG GLN 72 -18.095 9.072 -3.194 555 2HG GLN 72 2HG GLN 72 -17.285 10.544 -2.659 556 1HE2 GLN 72 2HE2 GLN 72 -17.087 9.404 -5.362 557 2HE2 GLN 72 1HE2 GLN 72 -15.455 9.002 -5.606 558 HA PRO 73 HA PRO 73 -19.187 10.659 2.624 559 1HB PRO 73 1HB PRO 73 -21.693 10.619 1.493 560 2HB PRO 73 2HB PRO 73 -20.658 12.058 1.528 561 1HG PRO 73 1HG PRO 73 -21.292 10.258 -0.763 562 2HG PRO 73 2HG PRO 73 -20.823 11.966 -0.775 563 1HD PRO 73 1HD PRO 73 -19.126 9.775 -1.361 564 2HD PRO 73 2HD PRO 73 -18.608 11.447 -1.049 565 H GLY 74 H GLY 74 -18.336 8.303 2.917 566 1HA GLY 74 1HA GLY 74 -19.397 6.367 4.022 567 2HA GLY 74 2HA GLY 74 -20.683 6.456 2.818 568 H ASN 75 H ASN 75 -17.804 7.063 1.258 569 HA ASN 75 HA ASN 75 -17.050 4.236 0.868 570 1HB ASN 75 1HB ASN 75 -17.699 5.793 -1.614 571 2HB ASN 75 2HB ASN 75 -17.679 4.047 -1.365 572 1HD2 ASN 75 2HD2 ASN 75 -19.666 3.054 -0.888 573 2HD2 ASN 75 1HD2 ASN 75 -21.090 3.898 -0.513 574 H VAL 76 H VAL 76 -15.343 4.371 -1.179 575 HA VAL 76 HA VAL 76 -13.772 6.837 -1.150 576 HB VAL 76 HB VAL 76 -12.935 4.371 0.361 577 1HG1 VAL 76 1HG1 VAL 76 -11.141 6.352 -1.056 578 2HG1 VAL 76 2HG1 VAL 76 -10.591 5.387 0.314 579 3HG1 VAL 76 3HG1 VAL 76 -11.116 4.593 -1.170 580 1HG2 VAL 76 1HG2 VAL 76 -13.372 7.240 0.854 581 2HG2 VAL 76 2HG2 VAL 76 -13.430 5.884 1.981 582 3HG2 VAL 76 3HG2 VAL 76 -11.881 6.615 1.560 583 H THR 77 H THR 77 -12.286 6.870 -2.898 584 HA THR 77 HA THR 77 -12.104 4.392 -4.541 585 HB THR 77 HB THR 77 -12.325 6.172 -6.524 586 HG1 THR 77 HG1 THR 77 -14.009 7.189 -4.484 587 1HG2 THR 77 1HG2 THR 77 -14.143 4.372 -5.132 588 2HG2 THR 77 2HG2 THR 77 -15.005 5.688 -5.928 589 3HG2 THR 77 3HG2 THR 77 -13.941 4.638 -6.864 590 H VAL 78 H VAL 78 -10.276 4.446 -6.047 591 HA VAL 78 HA VAL 78 -8.381 6.628 -6.024 592 HB VAL 78 HB VAL 78 -7.672 6.024 -3.880 593 1HG1 VAL 78 1HG1 VAL 78 -8.420 3.233 -4.727 594 2HG1 VAL 78 2HG1 VAL 78 -7.398 3.504 -3.316 595 3HG1 VAL 78 3HG1 VAL 78 -9.028 4.174 -3.366 596 1HG2 VAL 78 1HG2 VAL 78 -5.810 5.826 -5.602 597 2HG2 VAL 78 2HG2 VAL 78 -5.534 4.944 -4.100 598 3HG2 VAL 78 3HG2 VAL 78 -6.052 4.080 -5.547 599 H LEU 79 H LEU 79 -7.061 6.407 -7.798 600 HA LEU 79 HA LEU 79 -6.941 3.704 -9.075 601 1HB LEU 79 1HB LEU 79 -7.083 6.358 -10.536 602 2HB LEU 79 2HB LEU 79 -7.125 4.748 -11.255 603 HG LEU 79 HG LEU 79 -9.159 5.103 -9.181 604 1HD1 LEU 79 1HD1 LEU 79 -8.967 7.440 -10.172 605 2HD1 LEU 79 2HD1 LEU 79 -9.464 6.737 -11.711 606 3HD1 LEU 79 3HD1 LEU 79 -10.553 6.684 -10.325 607 1HD2 LEU 79 1HD2 LEU 79 -8.702 3.570 -11.478 608 2HD2 LEU 79 2HD2 LEU 79 -10.170 3.571 -10.500 609 3HD2 LEU 79 3HD2 LEU 79 -10.051 4.619 -11.913 610 H ALA 80 H ALA 80 -4.848 3.075 -8.782 611 HA ALA 80 HA ALA 80 -2.704 5.129 -9.054 612 1HB ALA 80 1HB ALA 80 -2.987 3.420 -7.042 613 2HB ALA 80 2HB ALA 80 -2.160 2.326 -8.151 614 3HB ALA 80 3HB ALA 80 -1.385 3.831 -7.656 615 H ASP 81 H ASP 81 -0.578 3.941 -9.963 616 HA ASP 81 HA ASP 81 -1.414 2.747 -12.567 617 1HB ASP 81 1HB ASP 81 0.169 4.912 -12.142 618 2HB ASP 81 2HB ASP 81 1.390 3.639 -12.176 619 H THR 82 H THR 82 0.934 2.378 -9.911 620 HA THR 82 HA THR 82 1.480 -0.386 -10.909 621 HB THR 82 HB THR 82 3.089 1.490 -9.161 622 HG1 THR 82 HG1 THR 82 3.043 1.241 -11.659 623 1HG2 THR 82 1HG2 THR 82 3.108 -0.840 -8.250 624 2HG2 THR 82 2HG2 THR 82 3.699 -1.406 -9.813 625 3HG2 THR 82 3HG2 THR 82 4.685 -0.315 -8.839 626 H ALA 83 H ALA 83 -0.119 -1.601 -9.911 627 HA ALA 83 HA ALA 83 -0.223 -1.424 -6.924 628 1HB ALA 83 1HB ALA 83 -2.317 -0.812 -8.498 629 2HB ALA 83 2HB ALA 83 -2.540 -2.559 -8.421 630 3HB ALA 83 3HB ALA 83 -2.518 -1.607 -6.936 631 H ILE 84 H ILE 84 1.282 -3.102 -6.580 632 HA ILE 84 HA ILE 84 0.697 -5.727 -7.852 633 HB ILE 84 HB ILE 84 3.092 -4.657 -6.344 634 1HG1 ILE 84 1HG1 ILE 84 4.042 -5.629 -8.654 635 2HG1 ILE 84 2HG1 ILE 84 2.390 -5.298 -9.175 636 1HG2 ILE 84 1HG2 ILE 84 2.148 -7.380 -6.557 637 2HG2 ILE 84 2HG2 ILE 84 3.667 -7.199 -7.434 638 3HG2 ILE 84 3HG2 ILE 84 3.580 -6.768 -5.727 639 1HD1 ILE 84 1HD1 ILE 84 2.709 -2.977 -8.095 640 2HD1 ILE 84 2HD1 ILE 84 4.431 -3.360 -8.084 641 3HD1 ILE 84 3HD1 ILE 84 3.555 -3.281 -9.613 642 H ARG 85 H ARG 85 -1.197 -6.141 -6.518 643 HA ARG 85 HA ARG 85 -1.112 -6.138 -3.647 644 1HB ARG 85 1HB ARG 85 -3.135 -7.617 -3.854 645 2HB ARG 85 2HB ARG 85 -3.248 -6.132 -4.800 646 1HG ARG 85 1HG ARG 85 -3.250 -7.251 -6.774 647 2HG ARG 85 2HG ARG 85 -1.986 -8.361 -6.246 648 1HD ARG 85 1HD ARG 85 -4.684 -8.639 -4.994 649 2HD ARG 85 2HD ARG 85 -4.488 -9.198 -6.656 650 HE ARG 85 HE ARG 85 -2.570 -10.618 -5.749 651 1HH1 ARG 85 1HH1 ARG 85 -3.002 -9.289 -2.966 652 2HH1 ARG 85 2HH1 ARG 85 -3.774 -10.593 -2.128 653 1HH2 ARG 85 1HH2 ARG 85 -4.483 -12.381 -5.013 654 2HH2 ARG 85 2HH2 ARG 85 -4.613 -12.343 -3.286 655 H GLY 86 H GLY 86 -0.343 -7.668 -2.242 656 1HA GLY 86 1HA GLY 86 0.883 -9.545 -1.540 657 2HA GLY 86 2HA GLY 86 -0.194 -10.438 -2.614 658 H GLN 87 H GLN 87 0.911 -11.634 -4.064 659 HA GLN 87 HA GLN 87 3.447 -10.494 -5.174 660 1HB GLN 87 1HB GLN 87 4.238 -12.861 -5.366 661 2HB GLN 87 2HB GLN 87 3.991 -12.349 -3.697 662 1HG GLN 87 1HG GLN 87 1.793 -13.434 -3.662 663 2HG GLN 87 2HG GLN 87 1.979 -13.901 -5.352 664 1HE2 GLN 87 2HE2 GLN 87 2.049 -16.196 -5.001 665 2HE2 GLN 87 1HE2 GLN 87 3.306 -16.953 -4.149 666 H ASP 88 H ASP 88 1.221 -9.865 -6.532 667 HA ASP 88 HA ASP 88 0.252 -11.807 -8.395 668 1HB ASP 88 1HB ASP 88 -0.246 -9.664 -9.792 669 2HB ASP 88 2HB ASP 88 -1.057 -9.856 -8.237 670 H LEU 89 H LEU 89 3.287 -10.275 -8.144 671 HA LEU 89 HA LEU 89 3.890 -10.939 -10.999 672 1HB LEU 89 1HB LEU 89 4.922 -8.810 -9.146 673 2HB LEU 89 2HB LEU 89 5.950 -9.396 -10.455 674 HG LEU 89 HG LEU 89 3.159 -8.250 -10.756 675 1HD1 LEU 89 1HD1 LEU 89 5.903 -7.221 -11.538 676 2HD1 LEU 89 2HD1 LEU 89 4.380 -6.477 -12.028 677 3HD1 LEU 89 3HD1 LEU 89 4.829 -6.528 -10.323 678 1HD2 LEU 89 1HD2 LEU 89 4.729 -10.000 -12.441 679 2HD2 LEU 89 2HD2 LEU 89 3.100 -9.380 -12.706 680 3HD2 LEU 89 3HD2 LEU 89 4.498 -8.444 -13.237 681 H ASP 90 H ASP 90 6.307 -10.322 -8.532 682 HA ASP 90 HA ASP 90 7.096 -13.203 -8.716 683 1HB ASP 90 1HB ASP 90 8.982 -10.929 -8.084 684 2HB ASP 90 2HB ASP 90 9.381 -12.560 -8.624 685 H GLU 91 H GLU 91 8.704 -13.627 -6.711 686 HA GLU 91 HA GLU 91 7.665 -12.340 -4.251 687 1HB GLU 91 1HB GLU 91 7.303 -14.622 -3.232 688 2HB GLU 91 2HB GLU 91 6.156 -14.217 -4.509 689 1HG GLU 91 1HG GLU 91 8.083 -15.363 -6.007 690 2HG GLU 91 2HG GLU 91 8.340 -16.237 -4.497 691 H ALA 92 H ALA 92 9.857 -14.767 -5.661 692 HA ALA 92 HA ALA 92 11.693 -14.569 -3.379 693 1HB ALA 92 1HB ALA 92 11.202 -16.506 -5.291 694 2HB ALA 92 2HB ALA 92 12.726 -15.803 -5.836 695 3HB ALA 92 3HB ALA 92 12.596 -16.476 -4.210 696 H ARG 93 H ARG 93 11.195 -12.954 -6.382 697 HA ARG 93 HA ARG 93 13.978 -11.976 -6.529 698 1HB ARG 93 1HB ARG 93 11.514 -11.635 -8.229 699 2HB ARG 93 2HB ARG 93 12.908 -10.574 -8.444 700 1HG ARG 93 1HG ARG 93 13.900 -13.233 -8.256 701 2HG ARG 93 2HG ARG 93 12.553 -13.257 -9.395 702 1HD ARG 93 1HD ARG 93 14.051 -12.501 -10.917 703 2HD ARG 93 2HD ARG 93 13.891 -10.946 -10.101 704 HE ARG 93 HE ARG 93 15.824 -12.174 -8.607 705 1HH1 ARG 93 1HH1 ARG 93 16.401 -13.879 -11.022 706 2HH1 ARG 93 2HH1 ARG 93 17.608 -12.943 -11.838 707 1HH2 ARG 93 1HH2 ARG 93 16.928 -10.037 -10.072 708 2HH2 ARG 93 2HH2 ARG 93 17.907 -10.767 -11.300 709 H ALA 94 H ALA 94 11.455 -11.254 -4.586 710 HA ALA 94 HA ALA 94 11.680 -8.312 -4.766 711 1HB ALA 94 1HB ALA 94 10.001 -10.200 -3.112 712 2HB ALA 94 2HB ALA 94 10.082 -8.477 -2.744 713 3HB ALA 94 3HB ALA 94 9.463 -9.017 -4.305 714 H MET 95 H MET 95 13.200 -10.910 -3.179 715 HA MET 95 HA MET 95 13.979 -9.372 -0.795 716 1HB MET 95 1HB MET 95 14.087 -12.146 -1.672 717 2HB MET 95 2HB MET 95 15.626 -11.626 -0.988 718 1HG MET 95 1HG MET 95 13.719 -10.533 0.730 719 2HG MET 95 2HG MET 95 13.090 -12.137 0.353 720 1HE MET 95 1HE MET 95 14.119 -14.259 0.724 721 2HE MET 95 2HE MET 95 15.604 -13.938 -0.168 722 3HE MET 95 3HE MET 95 15.678 -14.607 1.468 723 H GLU 96 H GLU 96 15.107 -9.858 -4.006 724 HA GLU 96 HA GLU 96 17.912 -9.255 -3.421 725 1HB GLU 96 1HB GLU 96 16.312 -10.005 -5.762 726 2HB GLU 96 2HB GLU 96 17.533 -8.784 -6.126 727 1HG GLU 96 1HG GLU 96 19.269 -10.196 -5.103 728 2HG GLU 96 2HG GLU 96 18.055 -11.415 -4.709 729 H ALA 97 H ALA 97 15.035 -7.452 -3.820 730 HA ALA 97 HA ALA 97 16.331 -5.033 -4.846 731 1HB ALA 97 1HB ALA 97 13.724 -5.929 -4.782 732 2HB ALA 97 2HB ALA 97 13.733 -4.713 -3.505 733 3HB ALA 97 3HB ALA 97 14.212 -4.273 -5.144 734 H LYS 98 H LYS 98 16.276 -6.560 -1.866 735 HA LYS 98 HA LYS 98 16.235 -4.074 -0.273 736 1HB LYS 98 1HB LYS 98 15.534 -6.692 0.286 737 2HB LYS 98 2HB LYS 98 17.098 -6.527 1.085 738 1HG LYS 98 1HG LYS 98 14.645 -4.796 1.476 739 2HG LYS 98 2HG LYS 98 15.426 -5.832 2.671 740 1HD LYS 98 1HD LYS 98 17.536 -4.369 2.213 741 2HD LYS 98 2HD LYS 98 16.386 -3.215 1.534 742 1HE LYS 98 1HE LYS 98 16.328 -2.503 3.722 743 2HE LYS 98 2HE LYS 98 15.100 -3.764 3.825 744 1HZ LYS 98 1HZ LYS 98 17.981 -4.198 4.385 745 2HZ LYS 98 2HZ LYS 98 16.817 -3.892 5.581 746 3HZ LYS 98 3HZ LYS 98 16.713 -5.300 4.635 747 H ARG 99 H ARG 99 18.534 -6.256 -1.719 748 HA ARG 99 HA ARG 99 20.765 -5.201 -0.097 749 1HB ARG 99 1HB ARG 99 20.308 -7.519 -1.772 750 2HB ARG 99 2HB ARG 99 21.782 -6.687 -2.267 751 1HG ARG 99 1HG ARG 99 21.641 -6.767 0.612 752 2HG ARG 99 2HG ARG 99 21.444 -8.397 -0.036 753 1HD ARG 99 1HD ARG 99 23.507 -7.065 -1.520 754 2HD ARG 99 2HD ARG 99 23.851 -6.894 0.201 755 HE ARG 99 HE ARG 99 23.154 -9.607 -0.751 756 1HH1 ARG 99 1HH1 ARG 99 24.474 -9.336 1.838 757 2HH1 ARG 99 2HH1 ARG 99 26.145 -9.608 1.472 758 1HH2 ARG 99 1HH2 ARG 99 25.761 -9.082 -1.933 759 2HH2 ARG 99 2HH2 ARG 99 26.874 -9.463 -0.663 760 H LYS 100 H LYS 100 19.195 -4.588 -3.123 761 HA LYS 100 HA LYS 100 21.483 -3.179 -4.298 762 1HB LYS 100 1HB LYS 100 18.566 -3.370 -5.106 763 2HB LYS 100 2HB LYS 100 19.793 -2.510 -6.037 764 1HG LYS 100 1HG LYS 100 20.847 -5.082 -5.428 765 2HG LYS 100 2HG LYS 100 19.207 -5.317 -6.034 766 1HD LYS 100 1HD LYS 100 20.022 -5.030 -8.115 767 2HD LYS 100 2HD LYS 100 20.321 -3.343 -7.693 768 1HE LYS 100 1HE LYS 100 22.565 -3.749 -7.128 769 2HE LYS 100 2HE LYS 100 22.297 -5.480 -6.921 770 1HZ LYS 100 1HZ LYS 100 21.578 -4.848 -9.526 771 2HZ LYS 100 2HZ LYS 100 23.067 -4.082 -9.243 772 3HZ LYS 100 3HZ LYS 100 22.919 -5.755 -9.012 773 H ALA 101 H ALA 101 18.587 -2.372 -2.461 774 HA ALA 101 HA ALA 101 19.063 0.523 -2.823 775 1HB ALA 101 1HB ALA 101 16.831 -1.151 -2.033 776 2HB ALA 101 2HB ALA 101 17.098 0.125 -0.845 777 3HB ALA 101 3HB ALA 101 16.827 0.539 -2.537 778 H GLU 102 H GLU 102 19.227 -1.949 -0.288 779 HA GLU 102 HA GLU 102 19.952 -0.144 1.833 780 1HB GLU 102 1HB GLU 102 19.079 -2.443 2.209 781 2HB GLU 102 2HB GLU 102 20.575 -3.098 1.542 782 1HG GLU 102 1HG GLU 102 21.728 -2.702 3.452 783 2HG GLU 102 2HG GLU 102 21.024 -1.095 3.640 784 H GLU 103 H GLU 103 21.647 -1.220 -0.904 785 HA GLU 103 HA GLU 103 24.306 -1.005 0.364 786 1HB GLU 103 1HB GLU 103 23.652 -2.665 -1.513 787 2HB GLU 103 2HB GLU 103 23.779 -1.275 -2.594 788 1HG GLU 103 1HG GLU 103 26.075 -0.989 -2.160 789 2HG GLU 103 2HG GLU 103 26.005 -1.940 -0.676 790 H HIS 104 H HIS 104 22.241 0.789 -1.892 791 HA HIS 104 HA HIS 104 24.268 2.831 -2.386 792 1HB HIS 104 1HB HIS 104 21.322 2.606 -3.023 793 2HB HIS 104 2HB HIS 104 22.251 4.059 -3.390 794 HD1 HIS 104 HD1 HIS 104 22.892 4.010 -5.792 795 HD2 HIS 104 HD2 HIS 104 23.144 0.221 -4.070 796 HE1 HIS 104 HE1 HIS 104 23.774 2.461 -7.591 797 H ILE 105 H ILE 105 21.588 2.374 -0.156 798 HA ILE 105 HA ILE 105 21.797 5.146 0.822 799 HB ILE 105 HB ILE 105 20.156 2.880 1.979 800 1HG1 ILE 105 1HG1 ILE 105 19.274 4.909 -0.095 801 2HG1 ILE 105 2HG1 ILE 105 19.764 3.265 -0.502 802 1HG2 ILE 105 1HG2 ILE 105 20.292 5.853 2.273 803 2HG2 ILE 105 2HG2 ILE 105 18.717 5.072 2.411 804 3HG2 ILE 105 3HG2 ILE 105 20.024 4.616 3.501 805 1HD1 ILE 105 1HD1 ILE 105 17.790 3.459 1.688 806 2HD1 ILE 105 2HD1 ILE 105 17.200 3.984 0.111 807 3HD1 ILE 105 3HD1 ILE 105 17.843 2.354 0.315 808 H SER 106 H SER 106 23.673 2.508 1.220 809 HA SER 106 HA SER 106 23.986 1.959 3.920 810 1HB SER 106 1HB SER 106 25.420 1.273 1.788 811 2HB SER 106 2HB SER 106 26.466 2.571 2.357 812 HG SER 106 HG SER 106 26.502 0.166 3.214 813 H SER 107 H SER 107 23.517 3.725 5.265 814 HA SER 107 HA SER 107 24.217 5.497 6.661 815 1HB SER 107 1HB SER 107 26.607 4.586 5.647 816 2HB SER 107 2HB SER 107 26.587 6.253 5.085 817 HG SER 107 HG SER 107 26.268 6.916 7.212 818 H SER 108 H SER 108 23.080 7.356 6.432 819 HA SER 108 HA SER 108 23.602 9.132 4.146 820 1HB SER 108 1HB SER 108 20.717 8.509 4.563 821 2HB SER 108 2HB SER 108 21.563 8.976 3.090 822 HG SER 108 HG SER 108 21.944 6.944 2.683 823 H HIS 109 H HIS 109 23.146 11.274 4.683 824 HA HIS 109 HA HIS 109 22.044 11.699 7.430 825 1HB HIS 109 1HB HIS 109 23.780 13.617 5.858 826 2HB HIS 109 2HB HIS 109 23.405 13.668 7.581 827 HD1 HIS 109 HD1 HIS 109 24.298 11.476 8.971 828 HD2 HIS 109 HD2 HIS 109 26.103 12.220 5.288 829 HE1 HIS 109 HE1 HIS 109 26.467 10.171 8.961 830 H GLY 110 H GLY 110 21.354 14.294 7.406 831 1HA GLY 110 1HA GLY 110 19.930 15.936 6.444 832 2HA GLY 110 2HA GLY 110 19.821 14.948 4.987 833 H ASP 111 H ASP 111 18.052 16.028 7.576 834 HA ASP 111 HA ASP 111 16.543 13.876 8.518 835 1HB ASP 111 1HB ASP 111 16.355 16.524 8.872 836 2HB ASP 111 2HB ASP 111 15.040 16.327 7.713 837 H VAL 112 H VAL 112 15.350 15.957 5.861 838 HA VAL 112 HA VAL 112 14.260 13.476 4.591 839 HB VAL 112 HB VAL 112 12.370 14.813 3.795 840 1HG1 VAL 112 1HG1 VAL 112 12.738 13.968 6.358 841 2HG1 VAL 112 2HG1 VAL 112 12.418 15.682 6.626 842 3HG1 VAL 112 3HG1 VAL 112 11.237 14.687 5.774 843 1HG2 VAL 112 1HG2 VAL 112 13.716 17.086 5.291 844 2HG2 VAL 112 2HG2 VAL 112 13.581 16.949 3.539 845 3HG2 VAL 112 3HG2 VAL 112 12.133 17.168 4.520 846 H ASP 113 H ASP 113 16.724 15.432 4.264 847 HA ASP 113 HA ASP 113 16.482 16.543 1.625 848 1HB ASP 113 1HB ASP 113 18.208 17.275 3.216 849 2HB ASP 113 2HB ASP 113 18.943 15.674 3.173 850 H TYR 114 H TYR 114 19.106 14.278 2.013 851 HA TYR 114 HA TYR 114 18.377 12.936 -0.466 852 1HB TYR 114 1HB TYR 114 20.756 13.364 0.383 853 2HB TYR 114 2HB TYR 114 20.478 12.049 1.526 854 HD1 TYR 114 HD1 TYR 114 19.993 9.746 0.694 855 HD2 TYR 114 HD2 TYR 114 21.120 12.936 -1.953 856 HE1 TYR 114 HE1 TYR 114 20.518 8.091 -1.077 857 HE2 TYR 114 HE2 TYR 114 21.646 11.281 -3.724 858 HH TYR 114 HH TYR 114 20.611 8.153 -3.679 859 H ALA 115 H ALA 115 17.336 12.652 2.690 860 HA ALA 115 HA ALA 115 17.060 9.743 2.783 861 1HB ALA 115 1HB ALA 115 16.737 11.986 4.583 862 2HB ALA 115 2HB ALA 115 15.311 10.944 4.644 863 3HB ALA 115 3HB ALA 115 16.909 10.272 4.970 864 H GLN 116 H GLN 116 15.445 12.233 1.188 865 HA GLN 116 HA GLN 116 12.739 11.171 1.419 866 1HB GLN 116 1HB GLN 116 13.707 13.595 0.702 867 2HB GLN 116 2HB GLN 116 13.456 12.889 -0.895 868 1HG GLN 116 1HG GLN 116 11.302 12.684 1.194 869 2HG GLN 116 2HG GLN 116 11.476 14.161 0.246 870 1HE2 GLN 116 1HE2 GLN 116 11.903 13.488 -2.286 871 2HE2 GLN 116 2HE2 GLN 116 10.767 12.379 -2.885 872 H ALA 117 H ALA 117 15.478 10.725 -0.736 873 HA ALA 117 HA ALA 117 13.918 9.351 -2.788 874 1HB ALA 117 1HB ALA 117 16.713 10.150 -2.379 875 2HB ALA 117 2HB ALA 117 16.549 8.573 -3.151 876 3HB ALA 117 3HB ALA 117 15.798 9.992 -3.879 877 H SER 118 H SER 118 14.927 8.505 0.296 878 HA SER 118 HA SER 118 15.574 5.706 -0.242 879 1HB SER 118 1HB SER 118 16.201 7.290 1.814 880 2HB SER 118 2HB SER 118 14.705 6.627 2.465 881 HG SER 118 HG SER 118 16.042 5.070 3.016 882 H ALA 119 H ALA 119 12.710 7.487 -0.147 883 HA ALA 119 HA ALA 119 11.058 5.288 0.923 884 1HB ALA 119 1HB ALA 119 10.728 8.129 0.462 885 2HB ALA 119 2HB ALA 119 9.396 7.226 -0.262 886 3HB ALA 119 3HB ALA 119 9.753 7.046 1.456 887 H GLU 120 H GLU 120 11.851 6.779 -2.184 888 HA GLU 120 HA GLU 120 9.881 5.238 -3.670 889 1HB GLU 120 1HB GLU 120 11.073 6.079 -5.664 890 2HB GLU 120 2HB GLU 120 10.743 7.386 -4.526 891 1HG GLU 120 1HG GLU 120 13.098 6.878 -3.572 892 2HG GLU 120 2HG GLU 120 13.362 5.994 -5.076 893 H LEU 121 H LEU 121 13.187 4.742 -2.628 894 HA LEU 121 HA LEU 121 13.654 2.508 -4.455 895 1HB LEU 121 1HB LEU 121 15.269 4.130 -2.863 896 2HB LEU 121 2HB LEU 121 15.334 2.556 -2.069 897 HG LEU 121 HG LEU 121 16.014 3.200 -4.947 898 1HD1 LEU 121 1HD1 LEU 121 17.502 2.279 -2.503 899 2HD1 LEU 121 2HD1 LEU 121 18.097 1.837 -4.103 900 3HD1 LEU 121 3HD1 LEU 121 17.935 3.537 -3.661 901 1HD2 LEU 121 1HD2 LEU 121 15.279 0.616 -3.611 902 2HD2 LEU 121 2HD2 LEU 121 14.917 1.169 -5.246 903 3HD2 LEU 121 3HD2 LEU 121 16.538 0.602 -4.845 904 H ALA 122 H ALA 122 12.805 2.887 -1.018 905 HA ALA 122 HA ALA 122 12.729 0.010 -0.559 906 1HB ALA 122 1HB ALA 122 11.841 2.422 1.027 907 2HB ALA 122 2HB ALA 122 11.492 0.782 1.573 908 3HB ALA 122 3HB ALA 122 13.164 1.310 1.377 909 H LYS 123 H LYS 123 10.656 2.236 -2.067 910 HA LYS 123 HA LYS 123 8.083 1.317 -1.337 911 1HB LYS 123 1HB LYS 123 7.297 2.296 -3.371 912 2HB LYS 123 2HB LYS 123 8.664 3.285 -2.858 913 1HG LYS 123 1HG LYS 123 9.263 2.952 -5.061 914 2HG LYS 123 2HG LYS 123 10.011 1.520 -4.351 915 1HD LYS 123 1HD LYS 123 8.714 0.211 -5.639 916 2HD LYS 123 2HD LYS 123 7.278 0.896 -4.876 917 1HE LYS 123 1HE LYS 123 6.803 2.162 -6.684 918 2HE LYS 123 2HE LYS 123 8.470 2.724 -6.818 919 1HZ LYS 123 1HZ LYS 123 8.275 -0.015 -7.517 920 2HZ LYS 123 2HZ LYS 123 7.190 0.905 -8.447 921 3HZ LYS 123 3HZ LYS 123 8.846 1.286 -8.442 922 H ALA 124 H ALA 124 10.485 -0.080 -3.506 923 HA ALA 124 HA ALA 124 8.661 -2.087 -4.579 924 1HB ALA 124 1HB ALA 124 11.003 -1.139 -5.480 925 2HB ALA 124 2HB ALA 124 11.611 -2.536 -4.590 926 3HB ALA 124 3HB ALA 124 10.436 -2.760 -5.887 927 H ILE 125 H ILE 125 10.780 -1.803 -1.816 928 HA ILE 125 HA ILE 125 10.740 -4.676 -1.233 929 HB ILE 125 HB ILE 125 11.730 -2.248 0.280 930 1HG1 ILE 125 1HG1 ILE 125 13.837 -3.915 -0.028 931 2HG1 ILE 125 2HG1 ILE 125 12.888 -4.382 -1.440 932 1HG2 ILE 125 1HG2 ILE 125 11.423 -5.111 1.149 933 2HG2 ILE 125 2HG2 ILE 125 12.773 -4.152 1.754 934 3HG2 ILE 125 3HG2 ILE 125 11.115 -3.635 2.064 935 1HD1 ILE 125 1HD1 ILE 125 12.667 -1.767 -1.765 936 2HD1 ILE 125 2HD1 ILE 125 14.134 -1.735 -0.785 937 3HD1 ILE 125 3HD1 ILE 125 14.113 -2.612 -2.315 938 H ALA 126 H ALA 126 8.387 -2.395 -1.097 939 HA ALA 126 HA ALA 126 7.311 -2.891 1.558 940 1HB ALA 126 1HB ALA 126 6.776 -1.103 -0.548 941 2HB ALA 126 2HB ALA 126 5.316 -2.079 -0.387 942 3HB ALA 126 3HB ALA 126 5.939 -1.189 1.002 943 H GLN 127 H GLN 127 7.077 -4.431 -1.569 944 HA GLN 127 HA GLN 127 4.693 -5.974 -0.954 945 1HB GLN 127 1HB GLN 127 6.853 -6.582 -2.994 946 2HB GLN 127 2HB GLN 127 5.199 -7.196 -2.989 947 1HG GLN 127 1HG GLN 127 4.286 -5.098 -3.542 948 2HG GLN 127 2HG GLN 127 5.737 -4.232 -3.035 949 1HE2 GLN 127 2HE2 GLN 127 5.888 -7.176 -5.012 950 2HE2 GLN 127 1HE2 GLN 127 6.442 -6.410 -6.421 951 H LEU 128 H LEU 128 7.810 -6.088 0.246 952 HA LEU 128 HA LEU 128 8.079 -8.992 0.425 953 1HB LEU 128 1HB LEU 128 10.011 -7.342 0.399 954 2HB LEU 128 2HB LEU 128 9.547 -6.893 2.041 955 HG LEU 128 HG LEU 128 9.795 -9.801 1.553 956 1HD1 LEU 128 1HD1 LEU 128 11.986 -7.889 0.993 957 2HD1 LEU 128 2HD1 LEU 128 12.407 -9.223 2.066 958 3HD1 LEU 128 3HD1 LEU 128 11.780 -9.554 0.451 959 1HD2 LEU 128 1HD2 LEU 128 10.640 -7.819 3.682 960 2HD2 LEU 128 2HD2 LEU 128 9.370 -9.037 3.785 961 3HD2 LEU 128 3HD2 LEU 128 11.063 -9.530 3.756 962 H ARG 129 H ARG 129 6.475 -6.519 2.219 963 HA ARG 129 HA ARG 129 6.354 -8.143 4.684 964 1HB ARG 129 1HB ARG 129 5.817 -5.357 3.942 965 2HB ARG 129 2HB ARG 129 4.582 -6.037 5.001 966 1HG ARG 129 1HG ARG 129 6.514 -4.979 6.229 967 2HG ARG 129 2HG ARG 129 6.243 -6.673 6.639 968 1HD ARG 129 1HD ARG 129 8.114 -7.401 5.447 969 2HD ARG 129 2HD ARG 129 8.133 -5.972 4.414 970 HE ARG 129 HE ARG 129 8.623 -5.186 7.124 971 1HH1 ARG 129 1HH1 ARG 129 10.227 -7.762 5.995 972 2HH1 ARG 129 2HH1 ARG 129 11.762 -6.998 5.755 973 1HH2 ARG 129 1HH2 ARG 129 10.523 -3.782 6.152 974 2HH2 ARG 129 2HH2 ARG 129 11.931 -4.745 5.845 975 H VAL 130 H VAL 130 4.059 -6.829 2.270 976 HA VAL 130 HA VAL 130 1.784 -8.220 3.342 977 HB VAL 130 HB VAL 130 0.649 -7.560 1.335 978 1HG1 VAL 130 1HG1 VAL 130 2.372 -5.747 2.770 979 2HG1 VAL 130 2HG1 VAL 130 2.174 -5.202 1.104 980 3HG1 VAL 130 3HG1 VAL 130 0.757 -5.462 2.120 981 1HG2 VAL 130 1HG2 VAL 130 3.438 -7.428 0.203 982 2HG2 VAL 130 2HG2 VAL 130 2.042 -8.308 -0.417 983 3HG2 VAL 130 3HG2 VAL 130 2.108 -6.552 -0.554 984 H ILE 131 H ILE 131 4.162 -9.038 0.839 985 HA ILE 131 HA ILE 131 2.947 -11.359 -0.209 986 HB ILE 131 HB ILE 131 5.011 -10.382 -1.139 987 1HG1 ILE 131 1HG1 ILE 131 5.186 -13.253 -0.182 988 2HG1 ILE 131 2HG1 ILE 131 4.603 -12.676 -1.743 989 1HG2 ILE 131 1HG2 ILE 131 6.039 -9.810 1.061 990 2HG2 ILE 131 2HG2 ILE 131 6.345 -11.525 1.336 991 3HG2 ILE 131 3HG2 ILE 131 7.149 -10.687 0.008 992 1HD1 ILE 131 1HD1 ILE 131 7.236 -11.637 -1.352 993 2HD1 ILE 131 2HD1 ILE 131 7.276 -13.367 -1.010 994 3HD1 ILE 131 3HD1 ILE 131 6.690 -12.791 -2.570 995 H GLU 132 H GLU 132 4.898 -10.956 2.739 996 HA GLU 132 HA GLU 132 5.356 -13.571 3.516 997 1HB GLU 132 1HB GLU 132 4.205 -11.498 5.402 998 2HB GLU 132 2HB GLU 132 5.291 -12.829 5.804 999 1HG GLU 132 1HG GLU 132 6.487 -11.271 3.714 1000 2HG GLU 132 2HG GLU 132 5.995 -10.188 5.017 1001 H LEU 133 H LEU 133 2.274 -11.828 3.637 1002 HA LEU 133 HA LEU 133 0.784 -13.837 5.023 1003 1HB LEU 133 1HB LEU 133 0.071 -11.599 3.142 1004 2HB LEU 133 2HB LEU 133 -1.166 -12.756 3.634 1005 HG LEU 133 HG LEU 133 -0.465 -12.288 6.041 1006 1HD1 LEU 133 1HD1 LEU 133 0.916 -9.956 4.676 1007 2HD1 LEU 133 2HD1 LEU 133 0.713 -10.148 6.417 1008 3HD1 LEU 133 3HD1 LEU 133 1.724 -11.278 5.517 1009 1HD2 LEU 133 1HD2 LEU 133 -2.432 -11.241 4.678 1010 2HD2 LEU 133 2HD2 LEU 133 -1.970 -10.485 6.204 1011 3HD2 LEU 133 3HD2 LEU 133 -1.439 -9.783 4.674 1012 H THR 134 H THR 134 1.121 -13.201 1.516 1013 HA THR 134 HA THR 134 -0.411 -15.330 0.535 1014 HB THR 134 HB THR 134 0.815 -15.122 -1.504 1015 HG1 THR 134 HG1 THR 134 2.895 -14.442 -1.564 1016 1HG2 THR 134 1HG2 THR 134 -0.365 -13.029 -0.501 1017 2HG2 THR 134 2HG2 THR 134 1.272 -12.421 -0.261 1018 3HG2 THR 134 3HG2 THR 134 0.707 -12.809 -1.885 1019 H LYS 135 H LYS 135 2.816 -15.390 1.942 1020 HA LYS 135 HA LYS 135 3.572 -18.014 1.102 1021 1HB LYS 135 1HB LYS 135 4.347 -16.219 3.380 1022 2HB LYS 135 2HB LYS 135 4.893 -17.896 3.382 1023 1HG LYS 135 1HG LYS 135 5.916 -17.600 1.178 1024 2HG LYS 135 2HG LYS 135 5.314 -15.943 1.100 1025 1HD LYS 135 1HD LYS 135 6.651 -16.082 3.553 1026 2HD LYS 135 2HD LYS 135 7.685 -16.974 2.437 1027 1HE LYS 135 1HE LYS 135 7.460 -15.022 0.833 1028 2HE LYS 135 2HE LYS 135 6.682 -14.132 2.142 1029 1HZ LYS 135 1HZ LYS 135 8.798 -14.946 3.434 1030 2HZ LYS 135 2HZ LYS 135 9.465 -14.992 1.872 1031 3HZ LYS 135 3HZ LYS 135 8.836 -13.539 2.481 1032 H LYS 136 H LYS 136 1.785 -16.887 3.972 1033 HA LYS 136 HA LYS 136 1.294 -19.715 4.734 1034 1HB LYS 136 1HB LYS 136 0.789 -17.083 6.145 1035 2HB LYS 136 2HB LYS 136 0.229 -18.634 6.773 1036 1HG LYS 136 1HG LYS 136 2.990 -18.880 6.015 1037 2HG LYS 136 2HG LYS 136 2.808 -17.475 7.065 1038 1HD LYS 136 1HD LYS 136 3.062 -19.159 8.646 1039 2HD LYS 136 2HD LYS 136 1.307 -19.124 8.486 1040 1HE LYS 136 1HE LYS 136 1.324 -21.268 7.814 1041 2HE LYS 136 2HE LYS 136 2.332 -20.826 6.437 1042 1HZ LYS 136 1HZ LYS 136 3.721 -20.973 8.969 1043 2HZ LYS 136 2HZ LYS 136 3.107 -22.457 8.413 1044 3HZ LYS 136 3HZ LYS 136 4.175 -21.566 7.442 1045 H ALA 137 H ALA 137 0.017 -18.130 2.422 1046 HA ALA 137 HA ALA 137 -2.787 -17.882 3.182 1047 1HB ALA 137 1HB ALA 137 -1.801 -16.524 1.357 1048 2HB ALA 137 2HB ALA 137 -1.518 -17.996 0.428 1049 3HB ALA 137 3HB ALA 137 -3.166 -17.484 0.785 1050 H MET 138 H MET 138 -1.016 -20.124 1.014 1051 HA MET 138 HA MET 138 -2.951 -22.244 1.814 1052 1HB MET 138 1HB MET 138 -3.204 -22.970 -0.502 1053 2HB MET 138 2HB MET 138 -3.670 -21.273 -0.376 1054 1HG MET 138 1HG MET 138 -1.123 -20.856 -0.945 1055 2HG MET 138 2HG MET 138 -1.227 -22.479 -1.625 1056 1HE MET 138 1HE MET 138 -0.580 -19.661 -3.023 1057 2HE MET 138 2HE MET 138 -1.922 -18.875 -3.851 1058 3HE MET 138 3HE MET 138 -1.800 -18.799 -2.088 Start of MODEL 5 1 1H ALA 1 1H ALA 1 -24.952 -0.995 8.017 2 2H ALA 1 2H ALA 1 -25.582 -1.418 9.533 3 3H ALA 1 3H ALA 1 -25.974 0.083 8.840 4 HA ALA 1 HA ALA 1 -23.878 0.970 9.208 5 1HB ALA 1 1HB ALA 1 -24.689 -0.849 11.486 6 2HB ALA 1 2HB ALA 1 -23.375 0.319 11.628 7 3HB ALA 1 3HB ALA 1 -25.019 0.875 11.308 8 H MET 2 H MET 2 -21.577 0.609 9.797 9 HA MET 2 HA MET 2 -19.539 -0.537 9.588 10 1HB MET 2 1HB MET 2 -21.150 -3.098 9.671 11 2HB MET 2 2HB MET 2 -19.465 -2.863 10.136 12 1HG MET 2 1HG MET 2 -20.048 -2.238 12.222 13 2HG MET 2 2HG MET 2 -21.212 -1.066 11.607 14 1HE MET 2 1HE MET 2 -22.349 -1.244 13.418 15 2HE MET 2 2HE MET 2 -23.960 -1.860 13.027 16 3HE MET 2 3HE MET 2 -22.978 -2.668 14.245 17 H THR 3 H THR 3 -18.405 -2.056 8.019 18 HA THR 3 HA THR 3 -17.921 -2.585 5.789 19 HB THR 3 HB THR 3 -20.165 -3.472 4.594 20 HG1 THR 3 HG1 THR 3 -21.654 -4.086 6.056 21 1HG2 THR 3 1HG2 THR 3 -18.000 -4.640 5.558 22 2HG2 THR 3 2HG2 THR 3 -19.099 -5.135 6.846 23 3HG2 THR 3 3HG2 THR 3 -19.434 -5.595 5.177 24 H TYR 4 H TYR 4 -17.483 -1.039 4.336 25 HA TYR 4 HA TYR 4 -19.742 0.593 3.279 26 1HB TYR 4 1HB TYR 4 -18.404 2.594 3.299 27 2HB TYR 4 2HB TYR 4 -18.340 1.905 4.918 28 HD1 TYR 4 HD1 TYR 4 -16.336 0.051 5.163 29 HD2 TYR 4 HD2 TYR 4 -16.409 3.364 2.431 30 HE1 TYR 4 HE1 TYR 4 -13.868 0.001 5.042 31 HE2 TYR 4 HE2 TYR 4 -13.931 3.313 2.312 32 HH TYR 4 HH TYR 4 -12.131 1.381 2.695 33 H HIS 5 H HIS 5 -17.882 2.017 1.476 34 HA HIS 5 HA HIS 5 -17.039 -0.288 -0.235 35 1HB HIS 5 1HB HIS 5 -19.174 0.630 -1.060 36 2HB HIS 5 2HB HIS 5 -18.455 2.237 -1.141 37 HD1 HIS 5 HD1 HIS 5 -16.031 2.143 -2.640 38 HD2 HIS 5 HD2 HIS 5 -19.043 -0.605 -3.512 39 HE1 HIS 5 HE1 HIS 5 -15.565 1.285 -4.976 40 H LEU 6 H LEU 6 -15.133 0.045 -1.432 41 HA LEU 6 HA LEU 6 -13.880 2.708 -1.215 42 1HB LEU 6 1HB LEU 6 -11.961 2.007 -0.162 43 2HB LEU 6 2HB LEU 6 -13.110 0.886 0.565 44 HG LEU 6 HG LEU 6 -12.557 -0.613 -1.488 45 1HD1 LEU 6 1HD1 LEU 6 -10.657 1.612 -1.712 46 2HD1 LEU 6 2HD1 LEU 6 -9.880 0.026 -1.742 47 3HD1 LEU 6 3HD1 LEU 6 -11.138 0.416 -2.917 48 1HD2 LEU 6 1HD2 LEU 6 -11.082 -0.140 1.034 49 2HD2 LEU 6 2HD2 LEU 6 -11.828 -1.617 0.421 50 3HD2 LEU 6 3HD2 LEU 6 -10.241 -1.122 -0.167 51 H ASP 7 H ASP 7 -11.998 2.901 -2.793 52 HA ASP 7 HA ASP 7 -11.889 0.905 -4.933 53 1HB ASP 7 1HB ASP 7 -13.966 2.570 -5.214 54 2HB ASP 7 2HB ASP 7 -12.713 3.605 -5.898 55 H VAL 8 H VAL 8 -9.642 0.915 -4.610 56 HA VAL 8 HA VAL 8 -8.245 3.512 -5.062 57 HB VAL 8 HB VAL 8 -6.316 2.523 -4.028 58 1HG1 VAL 8 1HG1 VAL 8 -8.600 2.979 -2.669 59 2HG1 VAL 8 2HG1 VAL 8 -8.386 1.268 -2.300 60 3HG1 VAL 8 3HG1 VAL 8 -7.123 2.425 -1.882 61 1HG2 VAL 8 1HG2 VAL 8 -7.835 -0.042 -4.478 62 2HG2 VAL 8 2HG2 VAL 8 -6.175 0.352 -4.926 63 3HG2 VAL 8 3HG2 VAL 8 -6.585 0.049 -3.238 64 H VAL 9 H VAL 9 -6.673 3.652 -6.736 65 HA VAL 9 HA VAL 9 -6.189 1.299 -8.435 66 HB VAL 9 HB VAL 9 -7.291 3.710 -9.839 67 1HG1 VAL 9 1HG1 VAL 9 -6.466 1.022 -10.476 68 2HG1 VAL 9 2HG1 VAL 9 -8.163 1.235 -10.908 69 3HG1 VAL 9 3HG1 VAL 9 -6.940 2.319 -11.573 70 1HG2 VAL 9 1HG2 VAL 9 -8.934 3.112 -8.050 71 2HG2 VAL 9 2HG2 VAL 9 -9.558 2.808 -9.672 72 3HG2 VAL 9 3HG2 VAL 9 -8.980 1.467 -8.683 73 H SER 10 H SER 10 -4.843 2.169 -10.464 74 HA SER 10 HA SER 10 -3.106 4.429 -9.605 75 1HB SER 10 1HB SER 10 -1.186 3.185 -9.539 76 2HB SER 10 2HB SER 10 -2.306 1.878 -9.162 77 HG SER 10 HG SER 10 -1.692 1.001 -10.960 78 H ALA 11 H ALA 11 -1.229 4.115 -11.712 79 HA ALA 11 HA ALA 11 -2.326 5.541 -13.817 80 1HB ALA 11 1HB ALA 11 0.111 4.245 -13.342 81 2HB ALA 11 2HB ALA 11 -0.478 3.543 -14.850 82 3HB ALA 11 3HB ALA 11 -0.269 5.289 -14.713 83 H GLU 12 H GLU 12 -2.065 1.967 -13.669 84 HA GLU 12 HA GLU 12 -4.626 1.630 -14.976 85 1HB GLU 12 1HB GLU 12 -3.653 0.496 -17.028 86 2HB GLU 12 2HB GLU 12 -3.468 2.249 -16.987 87 1HG GLU 12 1HG GLU 12 -1.223 2.073 -17.020 88 2HG GLU 12 2HG GLU 12 -1.247 0.975 -15.640 89 H GLN 13 H GLN 13 -4.284 0.457 -12.755 90 HA GLN 13 HA GLN 13 -3.716 -2.378 -13.403 91 1HB GLN 13 1HB GLN 13 -2.397 -0.855 -11.135 92 2HB GLN 13 2HB GLN 13 -2.409 -2.615 -11.262 93 1HG GLN 13 1HG GLN 13 -1.523 -2.013 -13.736 94 2HG GLN 13 2HG GLN 13 -0.903 -0.611 -12.863 95 1HE2 GLN 13 2HE2 GLN 13 1.317 -1.191 -12.704 96 2HE2 GLN 13 1HE2 GLN 13 1.862 -2.592 -11.918 97 H GLN 14 H GLN 14 -5.092 -3.760 -12.290 98 HA GLN 14 HA GLN 14 -7.305 -2.528 -10.839 99 1HB GLN 14 1HB GLN 14 -6.599 -5.395 -11.507 100 2HB GLN 14 2HB GLN 14 -8.025 -4.961 -10.564 101 1HG GLN 14 1HG GLN 14 -7.585 -3.512 -13.137 102 2HG GLN 14 2HG GLN 14 -8.122 -5.189 -13.229 103 1HE2 GLN 14 2HE2 GLN 14 -9.032 -1.955 -12.073 104 2HE2 GLN 14 1HE2 GLN 14 -10.669 -2.321 -11.814 105 H MET 15 H MET 15 -7.508 -2.371 -8.645 106 HA MET 15 HA MET 15 -5.572 -3.910 -6.963 107 1HB MET 15 1HB MET 15 -6.503 -1.058 -6.501 108 2HB MET 15 2HB MET 15 -5.381 -1.962 -5.484 109 1HG MET 15 1HG MET 15 -4.482 -2.072 -8.216 110 2HG MET 15 2HG MET 15 -4.757 -0.392 -7.759 111 1HE MET 15 1HE MET 15 -2.485 -3.056 -8.065 112 2HE MET 15 2HE MET 15 -1.396 -3.126 -6.680 113 3HE MET 15 3HE MET 15 -3.032 -3.790 -6.560 114 H PHE 16 H PHE 16 -8.290 -1.702 -6.260 115 HA PHE 16 HA PHE 16 -9.898 -3.963 -5.256 116 1HB PHE 16 1HB PHE 16 -8.379 -3.228 -3.362 117 2HB PHE 16 2HB PHE 16 -9.194 -1.664 -3.412 118 HD1 PHE 16 HD1 PHE 16 -9.568 -5.248 -2.627 119 HD2 PHE 16 HD2 PHE 16 -11.525 -1.431 -2.714 120 HE1 PHE 16 HE1 PHE 16 -11.412 -6.154 -1.240 121 HE2 PHE 16 HE2 PHE 16 -13.359 -2.316 -1.338 122 HZ PHE 16 HZ PHE 16 -13.307 -4.693 -0.593 123 H SER 17 H SER 17 -11.808 -3.533 -6.256 124 HA SER 17 HA SER 17 -12.950 -0.806 -5.947 125 1HB SER 17 1HB SER 17 -13.507 -0.614 -8.266 126 2HB SER 17 2HB SER 17 -11.807 -1.067 -8.211 127 HG SER 17 HG SER 17 -13.179 -2.298 -9.690 128 H GLY 18 H GLY 18 -14.465 -1.667 -4.475 129 1HA GLY 18 1HA GLY 18 -16.921 -2.586 -5.442 130 2HA GLY 18 2HA GLY 18 -16.015 -4.041 -5.023 131 H LEU 19 H LEU 19 -17.499 -4.481 -3.262 132 HA LEU 19 HA LEU 19 -17.989 -2.565 -1.175 133 1HB LEU 19 1HB LEU 19 -18.141 -5.593 -1.149 134 2HB LEU 19 2HB LEU 19 -18.766 -4.542 0.125 135 HG LEU 19 HG LEU 19 -19.681 -4.712 -2.753 136 1HD1 LEU 19 1HD1 LEU 19 -20.535 -6.172 -0.715 137 2HD1 LEU 19 2HD1 LEU 19 -21.443 -4.710 -0.331 138 3HD1 LEU 19 3HD1 LEU 19 -21.676 -5.511 -1.885 139 1HD2 LEU 19 1HD2 LEU 19 -20.300 -2.608 -0.652 140 2HD2 LEU 19 2HD2 LEU 19 -19.502 -2.342 -2.204 141 3HD2 LEU 19 3HD2 LEU 19 -21.206 -2.805 -2.152 142 H VAL 20 H VAL 20 -17.272 -3.283 1.200 143 HA VAL 20 HA VAL 20 -14.759 -4.527 1.611 144 HB VAL 20 HB VAL 20 -13.537 -2.993 0.418 145 1HG1 VAL 20 1HG1 VAL 20 -15.904 -1.259 0.874 146 2HG1 VAL 20 2HG1 VAL 20 -14.373 -0.456 0.525 147 3HG1 VAL 20 3HG1 VAL 20 -15.042 -1.616 -0.621 148 1HG2 VAL 20 1HG2 VAL 20 -13.967 -1.608 3.066 149 2HG2 VAL 20 2HG2 VAL 20 -12.609 -2.637 2.577 150 3HG2 VAL 20 3HG2 VAL 20 -12.812 -1.037 1.853 151 H GLU 21 H GLU 21 -13.962 -4.083 3.849 152 HA GLU 21 HA GLU 21 -16.032 -2.708 5.510 153 1HB GLU 21 1HB GLU 21 -16.061 -5.310 5.478 154 2HB GLU 21 2HB GLU 21 -14.599 -5.182 6.457 155 1HG GLU 21 1HG GLU 21 -16.620 -3.365 7.447 156 2HG GLU 21 2HG GLU 21 -17.267 -5.003 7.356 157 H LYS 22 H LYS 22 -12.934 -4.361 6.210 158 HA LYS 22 HA LYS 22 -12.079 -1.832 7.558 159 1HB LYS 22 1HB LYS 22 -12.260 -4.398 8.596 160 2HB LYS 22 2HB LYS 22 -10.546 -4.237 8.214 161 1HG LYS 22 1HG LYS 22 -11.431 -1.782 9.386 162 2HG LYS 22 2HG LYS 22 -11.965 -3.109 10.417 163 1HD LYS 22 1HD LYS 22 -9.840 -3.671 11.012 164 2HD LYS 22 2HD LYS 22 -9.206 -3.373 9.393 165 1HE LYS 22 1HE LYS 22 -9.074 -1.021 9.769 166 2HE LYS 22 2HE LYS 22 -10.043 -1.129 11.238 167 1HZ LYS 22 1HZ LYS 22 -7.377 -2.386 10.887 168 2HZ LYS 22 2HZ LYS 22 -7.644 -0.905 11.672 169 3HZ LYS 22 3HZ LYS 22 -8.296 -2.337 12.315 170 H ILE 23 H ILE 23 -10.646 -0.731 6.326 171 HA ILE 23 HA ILE 23 -8.546 -2.313 4.900 172 HB ILE 23 HB ILE 23 -8.819 -1.123 2.945 173 1HG1 ILE 23 1HG1 ILE 23 -10.154 1.211 4.334 174 2HG1 ILE 23 2HG1 ILE 23 -8.400 1.104 4.183 175 1HG2 ILE 23 1HG2 ILE 23 -11.159 -1.980 4.062 176 2HG2 ILE 23 2HG2 ILE 23 -11.547 -0.297 3.716 177 3HG2 ILE 23 3HG2 ILE 23 -11.018 -1.365 2.419 178 1HD1 ILE 23 1HD1 ILE 23 -9.150 0.549 1.627 179 2HD1 ILE 23 2HD1 ILE 23 -10.435 1.653 2.110 180 3HD1 ILE 23 3HD1 ILE 23 -8.753 2.168 2.200 181 H GLN 24 H GLN 24 -6.431 -1.508 5.148 182 HA GLN 24 HA GLN 24 -6.104 1.101 6.527 183 1HB GLN 24 1HB GLN 24 -4.723 0.161 8.288 184 2HB GLN 24 2HB GLN 24 -6.275 -0.679 8.290 185 1HG GLN 24 1HG GLN 24 -4.948 -2.270 6.577 186 2HG GLN 24 2HG GLN 24 -3.578 -1.682 7.520 187 1HE2 GLN 24 2HE2 GLN 24 -5.053 -1.387 10.044 188 2HE2 GLN 24 1HE2 GLN 24 -5.395 -2.954 10.598 189 H VAL 25 H VAL 25 -4.397 2.183 5.676 190 HA VAL 25 HA VAL 25 -2.456 0.617 4.029 191 HB VAL 25 HB VAL 25 -2.883 3.598 3.857 192 1HG1 VAL 25 1HG1 VAL 25 -1.736 1.444 2.076 193 2HG1 VAL 25 2HG1 VAL 25 -2.172 3.035 1.453 194 3HG1 VAL 25 3HG1 VAL 25 -0.934 2.886 2.700 195 1HG2 VAL 25 1HG2 VAL 25 -4.876 1.684 3.345 196 2HG2 VAL 25 2HG2 VAL 25 -4.857 3.357 2.789 197 3HG2 VAL 25 3HG2 VAL 25 -4.207 2.079 1.762 198 H THR 26 H THR 26 -0.379 0.562 4.745 199 HA THR 26 HA THR 26 0.386 2.487 6.901 200 HB THR 26 HB THR 26 1.712 -0.170 6.315 201 HG1 THR 26 HG1 THR 26 -0.013 0.135 8.467 202 1HG2 THR 26 1HG2 THR 26 1.901 1.951 8.400 203 2HG2 THR 26 2HG2 THR 26 2.075 0.280 8.933 204 3HG2 THR 26 3HG2 THR 26 3.167 0.935 7.713 205 H GLY 27 H GLY 27 1.715 4.061 6.148 206 1HA GLY 27 1HA GLY 27 3.962 3.307 4.379 207 2HA GLY 27 2HA GLY 27 2.840 4.514 3.751 208 H SER 28 H SER 28 4.255 6.276 3.803 209 HA SER 28 HA SER 28 5.834 6.891 6.175 210 1HB SER 28 1HB SER 28 6.473 8.908 4.964 211 2HB SER 28 2HB SER 28 6.523 7.537 3.859 212 HG SER 28 HG SER 28 4.856 9.737 3.912 213 H GLU 29 H GLU 29 5.038 7.875 7.965 214 HA GLU 29 HA GLU 29 3.642 9.157 9.347 215 1HB GLU 29 1HB GLU 29 4.391 10.875 7.549 216 2HB GLU 29 2HB GLU 29 2.773 10.659 6.881 217 1HG GLU 29 1HG GLU 29 2.128 12.243 8.364 218 2HG GLU 29 2HG GLU 29 2.275 10.977 9.583 219 H GLY 30 H GLY 30 1.461 9.165 10.027 220 1HA GLY 30 1HA GLY 30 -0.854 8.686 9.909 221 2HA GLY 30 2HA GLY 30 -0.673 8.400 8.178 222 H GLU 31 H GLU 31 -2.221 6.637 9.586 223 HA GLU 31 HA GLU 31 -0.911 4.123 9.067 224 1HB GLU 31 1HB GLU 31 0.121 4.818 11.288 225 2HB GLU 31 2HB GLU 31 -1.491 4.670 11.989 226 1HG GLU 31 1HG GLU 31 -0.979 2.326 10.432 227 2HG GLU 31 2HG GLU 31 0.403 2.594 11.495 228 H LEU 32 H LEU 32 -3.293 5.197 8.161 229 HA LEU 32 HA LEU 32 -5.222 3.225 9.227 230 1HB LEU 32 1HB LEU 32 -5.501 6.187 9.494 231 2HB LEU 32 2HB LEU 32 -6.947 5.270 9.054 232 HG LEU 32 HG LEU 32 -5.186 4.457 11.376 233 1HD1 LEU 32 1HD1 LEU 32 -6.469 6.880 11.284 234 2HD1 LEU 32 2HD1 LEU 32 -7.719 5.845 11.973 235 3HD1 LEU 32 3HD1 LEU 32 -6.150 5.978 12.766 236 1HD2 LEU 32 1HD2 LEU 32 -7.123 3.073 10.130 237 2HD2 LEU 32 2HD2 LEU 32 -6.877 2.970 11.873 238 3HD2 LEU 32 3HD2 LEU 32 -8.134 4.021 11.221 239 H GLY 33 H GLY 33 -6.786 2.649 7.678 240 1HA GLY 33 1HA GLY 33 -6.225 3.668 4.937 241 2HA GLY 33 2HA GLY 33 -7.047 2.149 5.310 242 H ILE 34 H ILE 34 -9.257 2.169 5.628 243 HA ILE 34 HA ILE 34 -10.679 4.676 6.098 244 HB ILE 34 HB ILE 34 -10.933 3.210 3.456 245 1HG1 ILE 34 1HG1 ILE 34 -9.226 5.009 3.613 246 2HG1 ILE 34 2HG1 ILE 34 -10.558 5.479 2.557 247 1HG2 ILE 34 1HG2 ILE 34 -13.162 3.700 4.529 248 2HG2 ILE 34 2HG2 ILE 34 -12.706 5.399 4.586 249 3HG2 ILE 34 3HG2 ILE 34 -12.894 4.592 3.032 250 1HD1 ILE 34 1HD1 ILE 34 -11.629 6.496 4.672 251 2HD1 ILE 34 2HD1 ILE 34 -10.019 6.368 5.389 252 3HD1 ILE 34 3HD1 ILE 34 -10.271 7.364 3.951 253 H TYR 35 H TYR 35 -12.849 4.306 6.727 254 HA TYR 35 HA TYR 35 -13.823 1.519 6.817 255 1HB TYR 35 1HB TYR 35 -14.352 2.427 9.405 256 2HB TYR 35 2HB TYR 35 -13.150 1.218 8.963 257 HD1 TYR 35 HD1 TYR 35 -10.806 2.134 8.215 258 HD2 TYR 35 HD2 TYR 35 -13.692 4.414 10.436 259 HE1 TYR 35 HE1 TYR 35 -9.013 3.669 8.971 260 HE2 TYR 35 HE2 TYR 35 -11.897 5.948 11.190 261 HH TYR 35 HH TYR 35 -8.532 5.519 10.096 262 HA PRO 36 HA PRO 36 -17.730 3.467 6.547 263 1HB PRO 36 1HB PRO 36 -19.288 2.100 8.365 264 2HB PRO 36 2HB PRO 36 -18.785 1.436 6.801 265 1HG PRO 36 1HG PRO 36 -17.736 0.819 9.531 266 2HG PRO 36 2HG PRO 36 -17.806 -0.218 8.095 267 1HD PRO 36 1HD PRO 36 -15.504 1.085 9.025 268 2HD PRO 36 2HD PRO 36 -15.720 0.441 7.385 269 H GLY 37 H GLY 37 -16.845 5.490 7.511 270 1HA GLY 37 1HA GLY 37 -18.325 6.940 9.188 271 2HA GLY 37 2HA GLY 37 -17.480 5.939 10.370 272 H HIS 38 H HIS 38 -15.202 6.077 8.128 273 HA HIS 38 HA HIS 38 -13.460 7.808 9.453 274 1HB HIS 38 1HB HIS 38 -12.910 6.223 7.536 275 2HB HIS 38 2HB HIS 38 -13.495 7.476 6.443 276 HD1 HIS 38 HD1 HIS 38 -11.540 8.699 5.515 277 HD2 HIS 38 HD2 HIS 38 -10.980 7.763 9.539 278 HE1 HIS 38 HE1 HIS 38 -9.315 9.707 6.182 279 H ALA 39 H ALA 39 -12.648 9.977 8.682 280 HA ALA 39 HA ALA 39 -14.908 11.800 8.378 281 1HB ALA 39 1HB ALA 39 -12.347 11.990 9.453 282 2HB ALA 39 2HB ALA 39 -12.258 12.974 7.992 283 3HB ALA 39 3HB ALA 39 -13.471 13.329 9.222 284 HA PRO 40 HA PRO 40 -14.680 12.501 4.055 285 1HB PRO 40 1HB PRO 40 -14.959 15.232 3.890 286 2HB PRO 40 2HB PRO 40 -16.288 14.134 4.303 287 1HG PRO 40 1HG PRO 40 -14.730 15.952 6.086 288 2HG PRO 40 2HG PRO 40 -16.389 15.355 6.263 289 1HD PRO 40 1HD PRO 40 -14.127 14.373 7.644 290 2HD PRO 40 2HD PRO 40 -15.710 13.573 7.538 291 H LEU 41 H LEU 41 -12.256 11.889 4.228 292 HA LEU 41 HA LEU 41 -10.333 14.082 4.138 293 1HB LEU 41 1HB LEU 41 -10.228 11.106 3.937 294 2HB LEU 41 2HB LEU 41 -8.893 12.016 3.230 295 HG LEU 41 HG LEU 41 -8.568 11.378 5.661 296 1HD1 LEU 41 1HD1 LEU 41 -8.662 14.334 4.983 297 2HD1 LEU 41 2HD1 LEU 41 -7.735 13.620 6.302 298 3HD1 LEU 41 3HD1 LEU 41 -7.327 13.237 4.629 299 1HD2 LEU 41 1HD2 LEU 41 -11.084 11.942 6.102 300 2HD2 LEU 41 2HD2 LEU 41 -9.895 12.344 7.342 301 3HD2 LEU 41 3HD2 LEU 41 -10.508 13.601 6.268 302 H LEU 42 H LEU 42 -8.920 14.430 2.228 303 HA LEU 42 HA LEU 42 -9.712 13.479 -0.385 304 1HB LEU 42 1HB LEU 42 -10.419 15.772 -1.221 305 2HB LEU 42 2HB LEU 42 -11.582 14.975 -0.163 306 HG LEU 42 HG LEU 42 -10.214 16.262 1.724 307 1HD1 LEU 42 1HD1 LEU 42 -9.478 17.570 -0.848 308 2HD1 LEU 42 2HD1 LEU 42 -9.883 18.638 0.496 309 3HD1 LEU 42 3HD1 LEU 42 -8.573 17.469 0.662 310 1HD2 LEU 42 1HD2 LEU 42 -12.525 16.963 0.020 311 2HD2 LEU 42 2HD2 LEU 42 -12.402 16.901 1.777 312 3HD2 LEU 42 3HD2 LEU 42 -11.826 18.319 0.902 313 H THR 43 H THR 43 -7.292 13.737 1.168 314 HA THR 43 HA THR 43 -5.824 15.850 -0.338 315 HB THR 43 HB THR 43 -5.299 16.206 1.900 316 HG1 THR 43 HG1 THR 43 -3.388 15.758 0.726 317 1HG2 THR 43 1HG2 THR 43 -5.715 13.248 2.137 318 2HG2 THR 43 2HG2 THR 43 -4.740 14.071 3.355 319 3HG2 THR 43 3HG2 THR 43 -6.415 14.556 3.091 320 H ALA 44 H ALA 44 -4.167 13.101 1.058 321 HA ALA 44 HA ALA 44 -3.862 11.908 -1.656 322 1HB ALA 44 1HB ALA 44 -1.941 13.527 -0.884 323 2HB ALA 44 2HB ALA 44 -1.468 12.172 0.139 324 3HB ALA 44 3HB ALA 44 -1.527 11.975 -1.612 325 H ILE 45 H ILE 45 -2.941 9.683 -1.539 326 HA ILE 45 HA ILE 45 -3.891 8.330 0.936 327 HB ILE 45 HB ILE 45 -4.717 7.712 -1.438 328 1HG1 ILE 45 1HG1 ILE 45 -3.768 5.173 -0.416 329 2HG1 ILE 45 2HG1 ILE 45 -4.284 6.217 0.910 330 1HG2 ILE 45 1HG2 ILE 45 -1.964 6.440 -1.444 331 2HG2 ILE 45 2HG2 ILE 45 -3.249 6.056 -2.590 332 3HG2 ILE 45 3HG2 ILE 45 -2.550 7.675 -2.557 333 1HD1 ILE 45 1HD1 ILE 45 -6.316 6.679 -0.789 334 2HD1 ILE 45 2HD1 ILE 45 -5.885 5.052 -1.316 335 3HD1 ILE 45 3HD1 ILE 45 -6.339 5.344 0.362 336 H LYS 46 H LYS 46 -2.488 7.082 2.175 337 HA LYS 46 HA LYS 46 0.350 7.599 1.858 338 1HB LYS 46 1HB LYS 46 -1.040 5.645 3.715 339 2HB LYS 46 2HB LYS 46 0.612 6.242 3.875 340 1HG LYS 46 1HG LYS 46 -1.935 7.874 4.066 341 2HG LYS 46 2HG LYS 46 -0.802 7.522 5.372 342 1HD LYS 46 1HD LYS 46 0.967 8.759 4.167 343 2HD LYS 46 2HD LYS 46 -0.175 9.125 2.874 344 1HE LYS 46 1HE LYS 46 -1.372 9.846 5.380 345 2HE LYS 46 2HE LYS 46 0.236 10.565 5.296 346 1HZ LYS 46 1HZ LYS 46 -0.679 11.012 2.825 347 2HZ LYS 46 2HZ LYS 46 -2.123 11.117 3.713 348 3HZ LYS 46 3HZ LYS 46 -0.810 12.124 4.098 349 HA PRO 47 HA PRO 47 1.203 4.062 -0.663 350 1HB PRO 47 1HB PRO 47 3.941 4.210 -0.481 351 2HB PRO 47 2HB PRO 47 2.973 5.283 -1.504 352 1HG PRO 47 1HG PRO 47 4.329 5.878 1.082 353 2HG PRO 47 2HG PRO 47 3.893 6.979 -0.237 354 1HD PRO 47 1HD PRO 47 2.487 6.659 2.207 355 2HD PRO 47 2HD PRO 47 1.911 7.530 0.770 356 H GLY 48 H GLY 48 3.405 2.371 -0.279 357 1HA GLY 48 1HA GLY 48 4.423 0.884 1.330 358 2HA GLY 48 2HA GLY 48 3.252 1.426 2.531 359 H MET 49 H MET 49 2.348 -0.551 3.084 360 HA MET 49 HA MET 49 1.171 -2.160 0.855 361 1HB MET 49 1HB MET 49 1.023 -3.969 2.635 362 2HB MET 49 2HB MET 49 2.662 -3.505 2.177 363 1HG MET 49 1HG MET 49 2.950 -2.191 4.145 364 2HG MET 49 2HG MET 49 1.227 -2.239 4.516 365 1HE MET 49 1HE MET 49 -0.050 -3.872 5.025 366 2HE MET 49 2HE MET 49 0.311 -5.558 4.666 367 3HE MET 49 3HE MET 49 0.381 -4.986 6.330 368 H ILE 50 H ILE 50 -0.948 -3.339 1.695 369 HA ILE 50 HA ILE 50 -2.489 -1.707 3.592 370 HB ILE 50 HB ILE 50 -2.578 -0.618 1.233 371 1HG1 ILE 50 1HG1 ILE 50 -4.094 -0.078 3.128 372 2HG1 ILE 50 2HG1 ILE 50 -4.929 -0.004 1.577 373 1HG2 ILE 50 1HG2 ILE 50 -3.026 -2.945 0.188 374 2HG2 ILE 50 2HG2 ILE 50 -4.678 -2.736 0.770 375 3HG2 ILE 50 3HG2 ILE 50 -3.998 -1.591 -0.386 376 1HD1 ILE 50 1HD1 ILE 50 -5.495 -2.521 2.071 377 2HD1 ILE 50 2HD1 ILE 50 -5.147 -2.076 3.743 378 3HD1 ILE 50 3HD1 ILE 50 -6.433 -1.252 2.858 379 H ARG 51 H ARG 51 -3.587 -3.158 4.775 380 HA ARG 51 HA ARG 51 -4.332 -5.766 3.538 381 1HB ARG 51 1HB ARG 51 -3.387 -4.979 6.135 382 2HB ARG 51 2HB ARG 51 -5.003 -5.663 6.313 383 1HG ARG 51 1HG ARG 51 -3.440 -7.225 4.438 384 2HG ARG 51 2HG ARG 51 -2.600 -7.088 5.983 385 1HD ARG 51 1HD ARG 51 -5.532 -7.793 5.843 386 2HD ARG 51 2HD ARG 51 -4.281 -9.030 5.724 387 HE ARG 51 HE ARG 51 -3.491 -7.877 7.993 388 1HH1 ARG 51 1HH2 ARG 51 -5.308 -10.244 8.202 389 2HH1 ARG 51 2HH2 ARG 51 -6.598 -9.628 9.181 390 1HH2 ARG 51 1HH1 ARG 51 -5.756 -6.307 8.681 391 2HH2 ARG 51 2HH1 ARG 51 -6.851 -7.405 9.450 392 H ILE 52 H ILE 52 -6.592 -6.462 3.694 393 HA ILE 52 HA ILE 52 -8.475 -4.359 4.606 394 HB ILE 52 HB ILE 52 -7.799 -4.309 2.057 395 1HG1 ILE 52 1HG1 ILE 52 -10.722 -4.189 2.751 396 2HG1 ILE 52 2HG1 ILE 52 -9.563 -3.006 3.355 397 1HG2 ILE 52 1HG2 ILE 52 -9.882 -6.502 2.192 398 2HG2 ILE 52 2HG2 ILE 52 -9.590 -5.548 0.742 399 3HG2 ILE 52 3HG2 ILE 52 -8.303 -6.556 1.407 400 1HD1 ILE 52 1HD1 ILE 52 -9.077 -3.415 0.568 401 2HD1 ILE 52 2HD1 ILE 52 -10.794 -3.083 0.794 402 3HD1 ILE 52 3HD1 ILE 52 -9.588 -1.936 1.380 403 H VAL 53 H VAL 53 -10.770 -5.150 4.529 404 HA VAL 53 HA VAL 53 -10.986 -8.102 4.857 405 HB VAL 53 HB VAL 53 -11.912 -5.940 6.762 406 1HG1 VAL 53 1HG1 VAL 53 -13.748 -7.583 6.233 407 2HG1 VAL 53 2HG1 VAL 53 -12.689 -8.868 6.815 408 3HG1 VAL 53 3HG1 VAL 53 -13.231 -7.605 7.920 409 1HG2 VAL 53 1HG2 VAL 53 -9.630 -6.892 7.063 410 2HG2 VAL 53 2HG2 VAL 53 -10.699 -7.296 8.407 411 3HG2 VAL 53 3HG2 VAL 53 -10.339 -8.503 7.173 412 H LYS 54 H LYS 54 -12.062 -8.165 2.818 413 HA LYS 54 HA LYS 54 -14.102 -6.443 1.941 414 1HB LYS 54 1HB LYS 54 -12.984 -8.354 0.653 415 2HB LYS 54 2HB LYS 54 -14.130 -9.428 1.455 416 1HG LYS 54 1HG LYS 54 -15.952 -7.803 0.602 417 2HG LYS 54 2HG LYS 54 -14.703 -7.186 -0.480 418 1HD LYS 54 1HD LYS 54 -14.403 -9.863 -0.862 419 2HD LYS 54 2HD LYS 54 -16.134 -9.779 -0.532 420 1HE LYS 54 1HE LYS 54 -16.405 -8.076 -2.279 421 2HE LYS 54 2HE LYS 54 -14.670 -8.106 -2.594 422 1HZ LYS 54 1HZ LYS 54 -15.075 -10.619 -2.932 423 2HZ LYS 54 2HZ LYS 54 -16.695 -10.163 -3.163 424 3HZ LYS 54 3HZ LYS 54 -15.483 -9.540 -4.177 425 H GLN 55 H GLN 55 -16.053 -5.990 2.828 426 HA GLN 55 HA GLN 55 -17.889 -6.185 4.302 427 1HB GLN 55 1HB GLN 55 -17.885 -8.307 2.388 428 2HB GLN 55 2HB GLN 55 -18.463 -8.962 3.920 429 1HG GLN 55 1HG GLN 55 -20.025 -6.974 4.070 430 2HG GLN 55 2HG GLN 55 -19.561 -6.574 2.416 431 1HE2 GLN 55 2HE2 GLN 55 -21.579 -8.631 4.355 432 2HE2 GLN 55 1HE2 GLN 55 -22.216 -9.557 3.083 433 H HIS 56 H HIS 56 -18.774 -8.520 5.722 434 HA HIS 56 HA HIS 56 -16.891 -8.439 7.952 435 1HB HIS 56 1HB HIS 56 -19.280 -8.525 8.426 436 2HB HIS 56 2HB HIS 56 -19.439 -10.027 7.516 437 HD1 HIS 56 HD1 HIS 56 -18.731 -8.752 10.862 438 HD2 HIS 56 HD2 HIS 56 -17.872 -12.241 8.749 439 HE1 HIS 56 HE1 HIS 56 -18.041 -10.480 12.582 440 H GLY 57 H GLY 57 -15.003 -9.550 7.569 441 1HA GLY 57 1HA GLY 57 -13.907 -11.726 7.774 442 2HA GLY 57 2HA GLY 57 -15.275 -12.448 6.923 443 H HIS 58 H HIS 58 -13.008 -13.185 5.813 444 HA HIS 58 HA HIS 58 -11.815 -13.175 3.789 445 1HB HIS 58 1HB HIS 58 -14.336 -12.460 3.115 446 2HB HIS 58 2HB HIS 58 -13.475 -10.998 2.633 447 HD1 HIS 58 HD1 HIS 58 -14.129 -11.838 0.133 448 HD2 HIS 58 HD2 HIS 58 -11.316 -14.150 2.164 449 HE1 HIS 58 HE1 HIS 58 -12.981 -13.268 -1.614 450 H GLU 59 H GLU 59 -9.884 -12.177 3.401 451 HA GLU 59 HA GLU 59 -9.724 -9.227 3.818 452 1HB GLU 59 1HB GLU 59 -7.689 -11.247 4.811 453 2HB GLU 59 2HB GLU 59 -7.594 -9.494 4.996 454 1HG GLU 59 1HG GLU 59 -8.791 -9.642 6.892 455 2HG GLU 59 2HG GLU 59 -10.139 -10.314 5.975 456 H GLU 60 H GLU 60 -8.581 -8.195 2.210 457 HA GLU 60 HA GLU 60 -7.268 -9.955 0.189 458 1HB GLU 60 1HB GLU 60 -9.164 -8.040 -0.200 459 2HB GLU 60 2HB GLU 60 -7.695 -7.091 -0.432 460 1HG GLU 60 1HG GLU 60 -7.045 -8.290 -2.296 461 2HG GLU 60 2HG GLU 60 -7.844 -9.766 -1.753 462 H PHE 61 H PHE 61 -5.346 -8.826 -0.931 463 HA PHE 61 HA PHE 61 -3.755 -7.241 1.038 464 1HB PHE 61 1HB PHE 61 -3.212 -9.917 -0.005 465 2HB PHE 61 2HB PHE 61 -1.892 -8.793 -0.330 466 HD1 PHE 61 HD1 PHE 61 -3.950 -10.351 2.329 467 HD2 PHE 61 HD2 PHE 61 -0.576 -7.850 1.441 468 HE1 PHE 61 HE1 PHE 61 -3.203 -10.519 4.690 469 HE2 PHE 61 HE2 PHE 61 0.176 -8.019 3.796 470 HZ PHE 61 HZ PHE 61 -1.139 -9.353 5.423 471 H ILE 62 H ILE 62 -3.078 -5.382 0.071 472 HA ILE 62 HA ILE 62 -2.417 -5.476 -2.832 473 HB ILE 62 HB ILE 62 -3.899 -3.120 -1.688 474 1HG1 ILE 62 1HG1 ILE 62 -5.851 -4.458 -3.012 475 2HG1 ILE 62 2HG1 ILE 62 -4.952 -5.821 -2.345 476 1HG2 ILE 62 1HG2 ILE 62 -3.363 -4.295 -4.416 477 2HG2 ILE 62 2HG2 ILE 62 -4.651 -3.118 -4.162 478 3HG2 ILE 62 3HG2 ILE 62 -2.977 -2.679 -3.823 479 1HD1 ILE 62 1HD1 ILE 62 -5.043 -4.611 -0.098 480 2HD1 ILE 62 2HD1 ILE 62 -6.217 -3.523 -0.837 481 3HD1 ILE 62 3HD1 ILE 62 -6.579 -5.243 -0.691 482 H TYR 63 H TYR 63 -1.233 -3.402 -3.470 483 HA TYR 63 HA TYR 63 0.123 -1.952 -1.316 484 1HB TYR 63 1HB TYR 63 1.639 -3.720 -1.173 485 2HB TYR 63 2HB TYR 63 1.438 -4.165 -2.864 486 HD1 TYR 63 HD1 TYR 63 2.356 -2.548 -4.643 487 HD2 TYR 63 HD2 TYR 63 3.456 -2.361 -0.494 488 HE1 TYR 63 HE1 TYR 63 4.377 -1.241 -5.238 489 HE2 TYR 63 HE2 TYR 63 5.477 -1.056 -1.090 490 HH TYR 63 HH TYR 63 6.381 -0.501 -4.457 491 H LEU 64 H LEU 64 1.015 -0.006 -2.124 492 HA LEU 64 HA LEU 64 1.512 0.415 -4.944 493 1HB LEU 64 1HB LEU 64 -0.333 1.908 -5.447 494 2HB LEU 64 2HB LEU 64 -0.996 0.368 -4.897 495 HG LEU 64 HG LEU 64 -0.487 2.175 -2.669 496 1HD1 LEU 64 1HD1 LEU 64 -2.283 3.084 -4.929 497 2HD1 LEU 64 2HD1 LEU 64 -2.456 3.674 -3.277 498 3HD1 LEU 64 3HD1 LEU 64 -0.967 3.981 -4.171 499 1HD2 LEU 64 1HD2 LEU 64 -2.528 0.309 -3.691 500 2HD2 LEU 64 2HD2 LEU 64 -2.001 0.599 -2.033 501 3HD2 LEU 64 3HD2 LEU 64 -3.188 1.668 -2.781 502 H SER 65 H SER 65 1.103 3.170 -5.078 503 HA SER 65 HA SER 65 3.013 4.112 -2.988 504 1HB SER 65 1HB SER 65 3.766 5.733 -4.549 505 2HB SER 65 2HB SER 65 3.547 4.271 -5.505 506 HG SER 65 HG SER 65 1.603 5.070 -6.237 507 H GLY 66 H GLY 66 2.268 6.939 -3.848 508 1HA GLY 66 1HA GLY 66 -0.041 7.183 -1.999 509 2HA GLY 66 2HA GLY 66 1.030 8.499 -2.484 510 H GLY 67 H GLY 67 -0.331 9.951 -3.454 511 1HA GLY 67 1HA GLY 67 -1.178 10.311 -5.856 512 2HA GLY 67 2HA GLY 67 -2.194 8.902 -5.545 513 H ILE 68 H ILE 68 -3.922 10.585 -6.074 514 HA ILE 68 HA ILE 68 -4.528 12.314 -3.716 515 HB ILE 68 HB ILE 68 -4.452 13.368 -6.001 516 1HG1 ILE 68 1HG1 ILE 68 -7.219 13.344 -4.757 517 2HG1 ILE 68 2HG1 ILE 68 -5.854 14.252 -4.105 518 1HG2 ILE 68 1HG2 ILE 68 -5.404 11.313 -7.138 519 2HG2 ILE 68 2HG2 ILE 68 -6.978 11.765 -6.482 520 3HG2 ILE 68 3HG2 ILE 68 -6.155 12.834 -7.619 521 1HD1 ILE 68 1HD1 ILE 68 -6.251 14.687 -6.977 522 2HD1 ILE 68 2HD1 ILE 68 -7.634 15.191 -6.004 523 3HD1 ILE 68 3HD1 ILE 68 -6.035 15.865 -5.683 524 H LEU 69 H LEU 69 -6.110 11.604 -2.343 525 HA LEU 69 HA LEU 69 -7.961 9.497 -3.377 526 1HB LEU 69 1HB LEU 69 -8.022 8.540 -1.208 527 2HB LEU 69 2HB LEU 69 -6.326 8.952 -1.458 528 HG LEU 69 HG LEU 69 -7.017 11.240 -0.351 529 1HD1 LEU 69 1HD1 LEU 69 -9.354 9.486 0.077 530 2HD1 LEU 69 2HD1 LEU 69 -8.758 10.279 1.534 531 3HD1 LEU 69 3HD1 LEU 69 -9.240 11.245 0.141 532 1HD2 LEU 69 1HD2 LEU 69 -5.591 9.179 0.513 533 2HD2 LEU 69 2HD2 LEU 69 -6.079 10.454 1.627 534 3HD2 LEU 69 3HD2 LEU 69 -6.980 8.939 1.572 535 H GLU 70 H GLU 70 -10.112 9.480 -2.208 536 HA GLU 70 HA GLU 70 -11.051 11.972 -1.021 537 1HB GLU 70 1HB GLU 70 -12.809 12.304 -2.836 538 2HB GLU 70 2HB GLU 70 -11.163 12.740 -3.296 539 1HG GLU 70 1HG GLU 70 -10.974 11.007 -4.779 540 2HG GLU 70 2HG GLU 70 -11.948 9.919 -3.789 541 H VAL 71 H VAL 71 -12.537 11.282 0.462 542 HA VAL 71 HA VAL 71 -13.778 8.618 0.014 543 HB VAL 71 HB VAL 71 -12.519 9.152 2.152 544 1HG1 VAL 71 1HG1 VAL 71 -14.926 10.958 2.500 545 2HG1 VAL 71 2HG1 VAL 71 -13.900 10.442 3.838 546 3HG1 VAL 71 3HG1 VAL 71 -13.226 11.422 2.537 547 1HG2 VAL 71 1HG2 VAL 71 -15.306 8.112 1.933 548 2HG2 VAL 71 2HG2 VAL 71 -13.837 7.287 2.454 549 3HG2 VAL 71 3HG2 VAL 71 -14.675 8.378 3.558 550 H GLN 72 H GLN 72 -16.009 8.318 0.062 551 HA GLN 72 HA GLN 72 -17.667 10.807 0.070 552 1HB GLN 72 1HB GLN 72 -17.350 8.794 -1.976 553 2HB GLN 72 2HB GLN 72 -19.017 8.796 -1.397 554 1HG GLN 72 1HG GLN 72 -19.376 10.614 -2.680 555 2HG GLN 72 2HG GLN 72 -18.305 11.507 -1.601 556 1HE2 GLN 72 2HE2 GLN 72 -18.064 12.538 -4.014 557 2HE2 GLN 72 1HE2 GLN 72 -16.736 11.937 -4.884 558 HA PRO 73 HA PRO 73 -20.311 8.828 2.953 559 1HB PRO 73 1HB PRO 73 -22.830 9.330 1.968 560 2HB PRO 73 2HB PRO 73 -21.805 10.562 2.724 561 1HG PRO 73 1HG PRO 73 -22.442 10.165 -0.163 562 2HG PRO 73 2HG PRO 73 -21.997 11.650 0.694 563 1HD PRO 73 1HD PRO 73 -20.276 10.100 -0.928 564 2HD PRO 73 2HD PRO 73 -19.773 11.374 0.205 565 H GLY 74 H GLY 74 -19.470 6.640 2.111 566 1HA GLY 74 1HA GLY 74 -20.921 4.501 2.183 567 2HA GLY 74 2HA GLY 74 -21.618 5.123 0.690 568 H ASN 75 H ASN 75 -19.108 6.166 -0.372 569 HA ASN 75 HA ASN 75 -17.438 3.727 -0.626 570 1HB ASN 75 1HB ASN 75 -17.492 3.868 -3.091 571 2HB ASN 75 2HB ASN 75 -19.103 3.574 -2.436 572 1HD2 ASN 75 2HD2 ASN 75 -20.464 5.648 -2.094 573 2HD2 ASN 75 1HD2 ASN 75 -20.284 6.890 -3.237 574 H VAL 76 H VAL 76 -15.281 4.183 -1.322 575 HA VAL 76 HA VAL 76 -14.614 7.087 -1.516 576 HB VAL 76 HB VAL 76 -13.963 6.279 0.695 577 1HG1 VAL 76 1HG1 VAL 76 -12.567 4.097 -0.880 578 2HG1 VAL 76 2HG1 VAL 76 -12.281 4.405 0.832 579 3HG1 VAL 76 3HG1 VAL 76 -13.878 3.894 0.282 580 1HG2 VAL 76 1HG2 VAL 76 -12.149 7.244 -1.308 581 2HG2 VAL 76 2HG2 VAL 76 -12.134 7.562 0.427 582 3HG2 VAL 76 3HG2 VAL 76 -11.275 6.165 -0.223 583 H THR 77 H THR 77 -12.967 7.589 -3.006 584 HA THR 77 HA THR 77 -11.835 5.305 -4.557 585 HB THR 77 HB THR 77 -12.108 6.788 -6.610 586 HG1 THR 77 HG1 THR 77 -13.152 8.382 -4.678 587 1HG2 THR 77 1HG2 THR 77 -14.267 5.408 -5.103 588 2HG2 THR 77 2HG2 THR 77 -14.765 6.392 -6.478 589 3HG2 THR 77 3HG2 THR 77 -13.622 5.069 -6.709 590 H VAL 78 H VAL 78 -9.798 5.809 -5.599 591 HA VAL 78 HA VAL 78 -8.513 8.387 -5.158 592 HB VAL 78 HB VAL 78 -8.146 7.607 -2.932 593 1HG1 VAL 78 1HG1 VAL 78 -8.806 5.231 -3.465 594 2HG1 VAL 78 2HG1 VAL 78 -7.178 4.980 -4.096 595 3HG1 VAL 78 3HG1 VAL 78 -7.413 5.365 -2.391 596 1HG2 VAL 78 1HG2 VAL 78 -5.751 6.970 -4.681 597 2HG2 VAL 78 2HG2 VAL 78 -6.115 8.506 -3.896 598 3HG2 VAL 78 3HG2 VAL 78 -5.674 7.102 -2.925 599 H LEU 79 H LEU 79 -6.454 8.482 -6.290 600 HA LEU 79 HA LEU 79 -5.901 6.082 -7.986 601 1HB LEU 79 1HB LEU 79 -5.810 8.965 -8.921 602 2HB LEU 79 2HB LEU 79 -5.541 7.528 -9.908 603 HG LEU 79 HG LEU 79 -8.109 7.720 -8.389 604 1HD1 LEU 79 1HD1 LEU 79 -7.406 9.320 -10.862 605 2HD1 LEU 79 2HD1 LEU 79 -9.068 8.936 -10.415 606 3HD1 LEU 79 3HD1 LEU 79 -8.071 9.919 -9.342 607 1HD2 LEU 79 1HD2 LEU 79 -6.953 6.298 -10.698 608 2HD2 LEU 79 2HD2 LEU 79 -8.245 5.803 -9.605 609 3HD2 LEU 79 3HD2 LEU 79 -8.600 6.872 -10.962 610 H ALA 80 H ALA 80 -3.660 6.064 -8.850 611 HA ALA 80 HA ALA 80 -1.735 7.853 -7.500 612 1HB ALA 80 1HB ALA 80 -2.131 5.917 -5.938 613 2HB ALA 80 2HB ALA 80 -1.540 4.840 -7.204 614 3HB ALA 80 3HB ALA 80 -0.464 6.046 -6.499 615 H ASP 81 H ASP 81 0.437 5.892 -8.138 616 HA ASP 81 HA ASP 81 0.312 6.029 -11.123 617 1HB ASP 81 1HB ASP 81 2.772 6.569 -9.435 618 2HB ASP 81 2HB ASP 81 2.627 6.744 -11.184 619 H THR 82 H THR 82 1.561 4.398 -8.250 620 HA THR 82 HA THR 82 2.400 2.121 -9.992 621 HB THR 82 HB THR 82 3.289 2.920 -7.207 622 HG1 THR 82 HG1 THR 82 4.757 3.910 -8.297 623 1HG2 THR 82 1HG2 THR 82 4.007 0.517 -8.901 624 2HG2 THR 82 2HG2 THR 82 4.860 0.996 -7.434 625 3HG2 THR 82 3HG2 THR 82 3.171 0.498 -7.350 626 H ALA 83 H ALA 83 2.016 -0.067 -8.980 627 HA ALA 83 HA ALA 83 0.148 -0.369 -6.808 628 1HB ALA 83 1HB ALA 83 -0.916 -0.133 -9.581 629 2HB ALA 83 2HB ALA 83 -1.598 -1.409 -8.571 630 3HB ALA 83 3HB ALA 83 -1.681 0.273 -8.044 631 H ILE 84 H ILE 84 1.795 -1.942 -6.305 632 HA ILE 84 HA ILE 84 1.862 -4.327 -8.100 633 HB ILE 84 HB ILE 84 3.733 -3.359 -5.925 634 1HG1 ILE 84 1HG1 ILE 84 5.238 -3.869 -8.122 635 2HG1 ILE 84 2HG1 ILE 84 3.710 -3.445 -8.896 636 1HG2 ILE 84 1HG2 ILE 84 3.614 -6.010 -7.382 637 2HG2 ILE 84 2HG2 ILE 84 5.076 -5.421 -6.588 638 3HG2 ILE 84 3HG2 ILE 84 3.622 -5.736 -5.640 639 1HD1 ILE 84 1HD1 ILE 84 3.818 -1.466 -7.079 640 2HD1 ILE 84 2HD1 ILE 84 5.547 -1.753 -7.273 641 3HD1 ILE 84 3HD1 ILE 84 4.562 -1.322 -8.671 642 H ARG 85 H ARG 85 0.999 -6.240 -7.387 643 HA ARG 85 HA ARG 85 -0.773 -6.323 -5.172 644 1HB ARG 85 1HB ARG 85 -0.761 -7.915 -7.127 645 2HB ARG 85 2HB ARG 85 0.649 -8.696 -6.410 646 1HG ARG 85 1HG ARG 85 -0.605 -9.290 -4.429 647 2HG ARG 85 2HG ARG 85 -1.993 -8.344 -4.969 648 1HD ARG 85 1HD ARG 85 -2.399 -9.835 -6.809 649 2HD ARG 85 2HD ARG 85 -0.869 -10.670 -6.547 650 HE ARG 85 HE ARG 85 -1.886 -11.891 -4.791 651 1HH1 ARG 85 1HH2 ARG 85 -4.419 -11.898 -6.234 652 2HH1 ARG 85 2HH2 ARG 85 -5.528 -11.176 -5.116 653 1HH2 ARG 85 1HH1 ARG 85 -3.039 -9.785 -3.141 654 2HH2 ARG 85 2HH1 ARG 85 -4.746 -9.977 -3.365 655 H GLY 86 H GLY 86 -0.545 -7.418 -3.117 656 1HA GLY 86 1HA GLY 86 1.763 -6.816 -1.640 657 2HA GLY 86 2HA GLY 86 0.610 -8.069 -1.174 658 H GLN 87 H GLN 87 1.034 -9.677 -3.578 659 HA GLN 87 HA GLN 87 3.889 -10.469 -3.312 660 1HB GLN 87 1HB GLN 87 2.950 -12.909 -3.295 661 2HB GLN 87 2HB GLN 87 2.978 -11.996 -1.786 662 1HG GLN 87 1HG GLN 87 0.712 -11.882 -1.673 663 2HG GLN 87 2HG GLN 87 0.551 -11.577 -3.402 664 1HE2 GLN 87 2HE2 GLN 87 1.763 -14.337 -1.399 665 2HE2 GLN 87 1HE2 GLN 87 0.891 -15.519 -2.248 666 H ASP 88 H ASP 88 2.745 -9.123 -5.494 667 HA ASP 88 HA ASP 88 1.733 -10.816 -7.550 668 1HB ASP 88 1HB ASP 88 2.339 -8.118 -7.310 669 2HB ASP 88 2HB ASP 88 3.492 -8.685 -8.521 670 H LEU 89 H LEU 89 5.025 -10.161 -6.459 671 HA LEU 89 HA LEU 89 6.036 -11.999 -8.588 672 1HB LEU 89 1HB LEU 89 7.953 -10.471 -6.904 673 2HB LEU 89 2HB LEU 89 8.001 -10.815 -8.632 674 HG LEU 89 HG LEU 89 6.103 -8.836 -7.334 675 1HD1 LEU 89 1HD1 LEU 89 8.708 -8.378 -7.429 676 2HD1 LEU 89 2HD1 LEU 89 8.376 -8.062 -9.131 677 3HD1 LEU 89 3HD1 LEU 89 7.566 -7.114 -7.885 678 1HD2 LEU 89 1HD2 LEU 89 6.782 -9.478 -10.222 679 2HD2 LEU 89 2HD2 LEU 89 5.242 -9.779 -9.416 680 3HD2 LEU 89 3HD2 LEU 89 5.775 -8.124 -9.710 681 H ASP 90 H ASP 90 8.481 -12.635 -7.256 682 HA ASP 90 HA ASP 90 7.663 -14.882 -5.697 683 1HB ASP 90 1HB ASP 90 10.372 -13.524 -5.629 684 2HB ASP 90 2HB ASP 90 10.017 -15.205 -5.232 685 H GLU 91 H GLU 91 8.794 -15.112 -3.361 686 HA GLU 91 HA GLU 91 7.864 -12.740 -1.790 687 1HB GLU 91 1HB GLU 91 8.002 -15.661 -0.973 688 2HB GLU 91 2HB GLU 91 7.441 -14.337 0.050 689 1HG GLU 91 1HG GLU 91 5.383 -14.776 -0.782 690 2HG GLU 91 2HG GLU 91 5.953 -14.004 -2.261 691 H ALA 92 H ALA 92 10.104 -15.516 -1.396 692 HA ALA 92 HA ALA 92 11.808 -13.974 0.399 693 1HB ALA 92 1HB ALA 92 11.674 -16.738 -0.622 694 2HB ALA 92 2HB ALA 92 13.312 -16.147 -0.342 695 3HB ALA 92 3HB ALA 92 12.139 -16.149 0.975 696 H ARG 93 H ARG 93 11.506 -14.210 -2.985 697 HA ARG 93 HA ARG 93 14.340 -13.653 -3.548 698 1HB ARG 93 1HB ARG 93 12.024 -14.490 -5.059 699 2HB ARG 93 2HB ARG 93 12.769 -13.089 -5.829 700 1HG ARG 93 1HG ARG 93 14.250 -14.550 -6.717 701 2HG ARG 93 2HG ARG 93 14.949 -14.644 -5.100 702 1HD ARG 93 1HD ARG 93 12.596 -16.364 -5.866 703 2HD ARG 93 2HD ARG 93 14.246 -16.864 -6.244 704 HE ARG 93 HE ARG 93 13.121 -16.555 -3.511 705 1HH1 ARG 93 1HH1 ARG 93 16.106 -15.824 -4.081 706 2HH1 ARG 93 2HH1 ARG 93 16.869 -17.294 -3.576 707 1HH2 ARG 93 1HH2 ARG 93 13.922 -19.122 -3.541 708 2HH2 ARG 93 2HH2 ARG 93 15.632 -19.162 -3.271 709 H ALA 94 H ALA 94 11.885 -11.832 -2.314 710 HA ALA 94 HA ALA 94 12.458 -9.395 -3.884 711 1HB ALA 94 1HB ALA 94 10.333 -10.310 -2.121 712 2HB ALA 94 2HB ALA 94 10.892 -8.700 -1.667 713 3HB ALA 94 3HB ALA 94 10.313 -9.004 -3.305 714 H MET 95 H MET 95 13.938 -11.016 -1.405 715 HA MET 95 HA MET 95 14.664 -8.629 0.172 716 1HB MET 95 1HB MET 95 14.647 -11.481 0.590 717 2HB MET 95 2HB MET 95 16.257 -10.845 0.920 718 1HG MET 95 1HG MET 95 14.833 -8.956 2.170 719 2HG MET 95 2HG MET 95 13.674 -10.279 2.299 720 1HE MET 95 1HE MET 95 17.062 -8.955 2.715 721 2HE MET 95 2HE MET 95 16.486 -8.643 4.351 722 3HE MET 95 3HE MET 95 17.809 -9.786 4.078 723 H GLU 96 H GLU 96 15.921 -10.546 -2.443 724 HA GLU 96 HA GLU 96 18.685 -9.653 -2.081 725 1HB GLU 96 1HB GLU 96 17.294 -11.027 -4.400 726 2HB GLU 96 2HB GLU 96 19.025 -10.697 -4.331 727 1HG GLU 96 1HG GLU 96 18.760 -11.922 -1.960 728 2HG GLU 96 2HG GLU 96 17.412 -12.685 -2.804 729 H ALA 97 H ALA 97 15.863 -8.229 -3.279 730 HA ALA 97 HA ALA 97 17.151 -6.633 -5.374 731 1HB ALA 97 1HB ALA 97 14.417 -6.891 -4.222 732 2HB ALA 97 2HB ALA 97 14.831 -5.338 -4.951 733 3HB ALA 97 3HB ALA 97 14.924 -6.815 -5.911 734 H LYS 98 H LYS 98 16.549 -6.367 -1.953 735 HA LYS 98 HA LYS 98 17.068 -3.464 -1.930 736 1HB LYS 98 1HB LYS 98 16.620 -3.573 0.423 737 2HB LYS 98 2HB LYS 98 15.446 -4.639 -0.351 738 1HG LYS 98 1HG LYS 98 16.183 -6.143 1.201 739 2HG LYS 98 2HG LYS 98 17.494 -6.382 0.045 740 1HD LYS 98 1HD LYS 98 18.959 -5.679 1.597 741 2HD LYS 98 2HD LYS 98 18.170 -4.101 1.595 742 1HE LYS 98 1HE LYS 98 17.257 -4.484 3.618 743 2HE LYS 98 2HE LYS 98 16.587 -6.023 3.077 744 1HZ LYS 98 1HZ LYS 98 19.236 -6.540 3.293 745 2HZ LYS 98 2HZ LYS 98 18.964 -5.497 4.602 746 3HZ LYS 98 3HZ LYS 98 18.061 -6.928 4.458 747 H ARG 99 H ARG 99 18.781 -6.472 -1.399 748 HA ARG 99 HA ARG 99 21.019 -5.374 0.038 749 1HB ARG 99 1HB ARG 99 20.220 -7.917 -0.857 750 2HB ARG 99 2HB ARG 99 21.754 -7.600 -1.669 751 1HG ARG 99 1HG ARG 99 22.857 -7.160 0.433 752 2HG ARG 99 2HG ARG 99 21.325 -7.213 1.304 753 1HD ARG 99 1HD ARG 99 22.612 -9.534 -0.162 754 2HD ARG 99 2HD ARG 99 22.534 -9.333 1.588 755 HE ARG 99 HE ARG 99 19.879 -9.212 0.607 756 1HH1 ARG 99 1HH1 ARG 99 22.486 -11.342 1.294 757 2HH1 ARG 99 2HH1 ARG 99 21.528 -12.778 1.168 758 1HH2 ARG 99 1HH2 ARG 99 18.642 -11.093 0.246 759 2HH2 ARG 99 2HH2 ARG 99 19.353 -12.639 0.576 760 H LYS 100 H LYS 100 20.399 -5.920 -3.427 761 HA LYS 100 HA LYS 100 23.007 -4.825 -4.180 762 1HB LYS 100 1HB LYS 100 20.711 -6.071 -5.552 763 2HB LYS 100 2HB LYS 100 21.519 -4.808 -6.483 764 1HG LYS 100 1HG LYS 100 23.691 -6.106 -5.570 765 2HG LYS 100 2HG LYS 100 22.550 -7.453 -5.585 766 1HD LYS 100 1HD LYS 100 23.221 -7.606 -7.771 767 2HD LYS 100 2HD LYS 100 21.985 -6.366 -7.992 768 1HE LYS 100 1HE LYS 100 23.566 -4.949 -8.733 769 2HE LYS 100 2HE LYS 100 24.358 -5.039 -7.160 770 1HZ LYS 100 1HZ LYS 100 24.756 -7.214 -9.093 771 2HZ LYS 100 2HZ LYS 100 25.616 -5.762 -9.297 772 3HZ LYS 100 3HZ LYS 100 25.791 -6.659 -7.867 773 H ALA 101 H ALA 101 19.678 -3.668 -3.962 774 HA ALA 101 HA ALA 101 20.267 -1.132 -5.282 775 1HB ALA 101 1HB ALA 101 17.920 -2.270 -3.785 776 2HB ALA 101 2HB ALA 101 17.986 -0.542 -4.126 777 3HB ALA 101 3HB ALA 101 18.002 -1.702 -5.454 778 H GLU 102 H GLU 102 20.786 -2.422 -2.172 779 HA GLU 102 HA GLU 102 20.608 0.099 -0.709 780 1HB GLU 102 1HB GLU 102 20.248 -1.864 0.590 781 2HB GLU 102 2HB GLU 102 21.692 -2.647 -0.053 782 1HG GLU 102 1HG GLU 102 22.025 -1.779 2.264 783 2HG GLU 102 2HG GLU 102 23.123 -1.039 1.099 784 H GLU 103 H GLU 103 23.016 -1.556 -2.590 785 HA GLU 103 HA GLU 103 25.407 -0.542 -1.504 786 1HB GLU 103 1HB GLU 103 24.778 -2.035 -3.699 787 2HB GLU 103 2HB GLU 103 25.245 -0.513 -4.459 788 1HG GLU 103 1HG GLU 103 26.907 -2.045 -2.436 789 2HG GLU 103 2HG GLU 103 27.194 -2.011 -4.176 790 H HIS 104 H HIS 104 22.962 1.075 -3.447 791 HA HIS 104 HA HIS 104 24.607 3.417 -3.992 792 1HB HIS 104 1HB HIS 104 21.954 2.467 -4.677 793 2HB HIS 104 2HB HIS 104 21.898 4.156 -4.173 794 HD1 HIS 104 HD1 HIS 104 23.564 5.814 -5.474 795 HD2 HIS 104 HD2 HIS 104 23.067 2.054 -7.202 796 HE1 HIS 104 HE1 HIS 104 24.437 5.994 -7.845 797 H ILE 105 H ILE 105 21.969 2.675 -1.698 798 HA ILE 105 HA ILE 105 21.755 5.175 -0.442 799 HB ILE 105 HB ILE 105 21.582 2.397 0.758 800 1HG1 ILE 105 1HG1 ILE 105 19.514 4.365 -0.275 801 2HG1 ILE 105 2HG1 ILE 105 19.937 2.811 -0.994 802 1HG2 ILE 105 1HG2 ILE 105 22.020 4.161 2.468 803 2HG2 ILE 105 2HG2 ILE 105 20.603 5.036 1.888 804 3HG2 ILE 105 3HG2 ILE 105 20.415 3.448 2.629 805 1HD1 ILE 105 1HD1 ILE 105 19.186 2.658 1.853 806 2HD1 ILE 105 2HD1 ILE 105 17.883 3.183 0.787 807 3HD1 ILE 105 3HD1 ILE 105 18.688 1.641 0.501 808 H SER 106 H SER 106 24.120 2.583 0.158 809 HA SER 106 HA SER 106 25.469 4.269 2.183 810 1HB SER 106 1HB SER 106 26.840 1.803 1.445 811 2HB SER 106 2HB SER 106 26.237 2.318 3.018 812 HG SER 106 HG SER 106 24.882 0.984 0.925 813 H SER 107 H SER 107 25.706 5.681 -0.035 814 HA SER 107 HA SER 107 28.496 5.853 -0.539 815 1HB SER 107 1HB SER 107 28.841 4.785 -2.578 816 2HB SER 107 2HB SER 107 27.721 3.668 -1.803 817 HG SER 107 HG SER 107 26.679 4.026 -3.626 818 H SER 108 H SER 108 28.989 7.590 -2.044 819 HA SER 108 HA SER 108 28.505 9.533 -3.291 820 1HB SER 108 1HB SER 108 26.407 7.862 -3.949 821 2HB SER 108 2HB SER 108 25.579 9.259 -3.266 822 HG SER 108 HG SER 108 26.723 10.568 -4.718 823 H HIS 109 H HIS 109 27.084 11.602 -2.968 824 HA HIS 109 HA HIS 109 25.897 11.900 -0.311 825 1HB HIS 109 1HB HIS 109 27.691 13.960 -0.116 826 2HB HIS 109 2HB HIS 109 27.877 12.407 0.695 827 HD1 HIS 109 HD1 HIS 109 30.196 11.573 0.380 828 HD2 HIS 109 HD2 HIS 109 28.803 13.506 -3.041 829 HE1 HIS 109 HE1 HIS 109 32.041 11.394 -1.347 830 H GLY 110 H GLY 110 25.823 14.604 -0.065 831 1HA GLY 110 1HA GLY 110 25.452 16.634 -1.455 832 2HA GLY 110 2HA GLY 110 24.818 15.570 -2.711 833 H ASP 111 H ASP 111 23.309 17.731 -1.720 834 HA ASP 111 HA ASP 111 21.508 17.023 0.383 835 1HB ASP 111 1HB ASP 111 21.895 19.241 -1.215 836 2HB ASP 111 2HB ASP 111 20.337 18.634 -1.777 837 H VAL 112 H VAL 112 19.602 15.851 0.358 838 HA VAL 112 HA VAL 112 18.244 14.069 -0.402 839 HB VAL 112 HB VAL 112 16.765 14.780 -2.199 840 1HG1 VAL 112 1HG1 VAL 112 17.702 17.082 -0.459 841 2HG1 VAL 112 2HG1 VAL 112 16.188 17.068 -1.362 842 3HG1 VAL 112 3HG1 VAL 112 16.449 15.908 -0.059 843 1HG2 VAL 112 1HG2 VAL 112 18.816 15.620 -3.575 844 2HG2 VAL 112 2HG2 VAL 112 17.288 16.488 -3.736 845 3HG2 VAL 112 3HG2 VAL 112 18.569 17.140 -2.715 846 H ASP 113 H ASP 113 21.048 13.813 -1.201 847 HA ASP 113 HA ASP 113 21.035 12.876 -3.978 848 1HB ASP 113 1HB ASP 113 23.093 13.799 -3.176 849 2HB ASP 113 2HB ASP 113 23.068 12.773 -1.741 850 H TYR 114 H TYR 114 22.592 10.863 -1.593 851 HA TYR 114 HA TYR 114 21.153 8.526 -2.553 852 1HB TYR 114 1HB TYR 114 22.488 7.288 -0.928 853 2HB TYR 114 2HB TYR 114 23.528 8.450 -1.751 854 HD1 TYR 114 HD1 TYR 114 21.693 7.727 1.384 855 HD2 TYR 114 HD2 TYR 114 24.485 10.328 -0.588 856 HE1 TYR 114 HE1 TYR 114 22.278 8.754 3.565 857 HE2 TYR 114 HE2 TYR 114 25.070 11.356 1.592 858 HH TYR 114 HH TYR 114 23.447 10.332 4.599 859 H ALA 115 H ALA 115 20.607 10.918 -0.183 860 HA ALA 115 HA ALA 115 19.110 9.407 1.747 861 1HB ALA 115 1HB ALA 115 19.850 12.117 1.322 862 2HB ALA 115 2HB ALA 115 18.091 12.086 1.453 863 3HB ALA 115 3HB ALA 115 19.082 11.426 2.753 864 H GLN 116 H GLN 116 18.288 10.963 -1.311 865 HA GLN 116 HA GLN 116 15.430 10.647 -1.062 866 1HB GLN 116 1HB GLN 116 17.287 11.694 -2.980 867 2HB GLN 116 2HB GLN 116 16.200 10.577 -3.806 868 1HG GLN 116 1HG GLN 116 14.255 11.755 -2.854 869 2HG GLN 116 2HG GLN 116 15.337 12.869 -2.017 870 1HE2 GLN 116 2HE2 GLN 116 13.824 12.160 -5.076 871 2HE2 GLN 116 1HE2 GLN 116 14.518 13.440 -5.947 872 H ALA 117 H ALA 117 17.954 8.433 -1.553 873 HA ALA 117 HA ALA 117 16.505 6.543 -3.229 874 1HB ALA 117 1HB ALA 117 19.126 6.836 -2.630 875 2HB ALA 117 2HB ALA 117 18.697 5.579 -1.468 876 3HB ALA 117 3HB ALA 117 18.439 5.311 -3.192 877 H SER 118 H SER 118 16.340 7.416 0.054 878 HA SER 118 HA SER 118 15.555 4.776 1.054 879 1HB SER 118 1HB SER 118 16.419 7.146 2.236 880 2HB SER 118 2HB SER 118 14.716 7.057 2.675 881 HG SER 118 HG SER 118 15.536 5.772 4.161 882 H ALA 119 H ALA 119 13.995 7.448 -0.492 883 HA ALA 119 HA ALA 119 11.328 6.869 0.536 884 1HB ALA 119 1HB ALA 119 12.261 8.506 -1.840 885 2HB ALA 119 2HB ALA 119 10.591 8.427 -1.278 886 3HB ALA 119 3HB ALA 119 11.838 9.119 -0.242 887 H GLU 120 H GLU 120 13.170 6.048 -2.386 888 HA GLU 120 HA GLU 120 10.887 4.595 -3.533 889 1HB GLU 120 1HB GLU 120 12.305 4.195 -5.417 890 2HB GLU 120 2HB GLU 120 12.660 5.840 -4.888 891 1HG GLU 120 1HG GLU 120 14.513 4.728 -3.436 892 2HG GLU 120 2HG GLU 120 14.304 3.345 -4.510 893 H LEU 121 H LEU 121 13.858 3.866 -1.780 894 HA LEU 121 HA LEU 121 13.850 1.032 -2.232 895 1HB LEU 121 1HB LEU 121 15.788 2.332 -1.322 896 2HB LEU 121 2HB LEU 121 14.899 2.530 0.188 897 HG LEU 121 HG LEU 121 14.746 -0.210 -0.354 898 1HD1 LEU 121 1HD1 LEU 121 16.516 0.073 -2.055 899 2HD1 LEU 121 2HD1 LEU 121 17.551 0.837 -0.848 900 3HD1 LEU 121 3HD1 LEU 121 17.104 -0.861 -0.679 901 1HD2 LEU 121 1HD2 LEU 121 16.519 1.445 1.464 902 2HD2 LEU 121 2HD2 LEU 121 14.986 0.673 1.869 903 3HD2 LEU 121 3HD2 LEU 121 16.416 -0.314 1.567 904 H ALA 122 H ALA 122 12.995 2.722 0.812 905 HA ALA 122 HA ALA 122 11.770 0.636 2.149 906 1HB ALA 122 1HB ALA 122 11.373 3.579 2.117 907 2HB ALA 122 2HB ALA 122 10.077 2.630 2.844 908 3HB ALA 122 3HB ALA 122 11.720 2.504 3.472 909 H LYS 123 H LYS 123 10.568 2.309 -0.672 910 HA LYS 123 HA LYS 123 7.812 1.576 -0.464 911 1HB LYS 123 1HB LYS 123 9.284 3.053 -2.238 912 2HB LYS 123 2HB LYS 123 8.961 1.599 -3.185 913 1HG LYS 123 1HG LYS 123 6.523 1.834 -2.513 914 2HG LYS 123 2HG LYS 123 6.937 3.420 -1.862 915 1HD LYS 123 1HD LYS 123 7.790 2.778 -4.657 916 2HD LYS 123 2HD LYS 123 6.090 3.151 -4.369 917 1HE LYS 123 1HE LYS 123 6.659 5.287 -3.384 918 2HE LYS 123 2HE LYS 123 8.380 4.906 -3.442 919 1HZ LYS 123 1HZ LYS 123 7.024 4.672 -5.977 920 2HZ LYS 123 2HZ LYS 123 7.041 6.251 -5.347 921 3HZ LYS 123 3HZ LYS 123 8.500 5.417 -5.599 922 H ALA 124 H ALA 124 10.473 -0.012 -2.268 923 HA ALA 124 HA ALA 124 8.875 -2.294 -3.003 924 1HB ALA 124 1HB ALA 124 11.770 -1.578 -3.073 925 2HB ALA 124 2HB ALA 124 11.358 -3.290 -3.172 926 3HB ALA 124 3HB ALA 124 10.725 -2.160 -4.369 927 H ILE 125 H ILE 125 10.766 -1.481 -0.168 928 HA ILE 125 HA ILE 125 10.886 -4.200 0.852 929 HB ILE 125 HB ILE 125 11.098 -1.679 2.504 930 1HG1 ILE 125 1HG1 ILE 125 12.516 -1.307 0.576 931 2HG1 ILE 125 2HG1 ILE 125 13.554 -1.780 1.922 932 1HG2 ILE 125 1HG2 ILE 125 11.708 -4.542 2.814 933 2HG2 ILE 125 2HG2 ILE 125 13.037 -3.480 3.278 934 3HG2 ILE 125 3HG2 ILE 125 11.460 -3.307 4.048 935 1HD1 ILE 125 1HD1 ILE 125 12.750 -4.188 0.690 936 2HD1 ILE 125 2HD1 ILE 125 13.184 -3.095 -0.625 937 3HD1 ILE 125 3HD1 ILE 125 14.351 -3.454 0.647 938 H ALA 126 H ALA 126 8.334 -2.054 0.497 939 HA ALA 126 HA ALA 126 6.954 -2.682 3.000 940 1HB ALA 126 1HB ALA 126 6.537 -0.932 0.711 941 2HB ALA 126 2HB ALA 126 5.055 -1.778 1.154 942 3HB ALA 126 3HB ALA 126 5.900 -0.795 2.350 943 H GLN 127 H GLN 127 7.653 -4.478 0.307 944 HA GLN 127 HA GLN 127 5.051 -5.863 0.141 945 1HB GLN 127 1HB GLN 127 6.159 -5.615 -1.963 946 2HB GLN 127 2HB GLN 127 7.691 -6.186 -1.302 947 1HG GLN 127 1HG GLN 127 7.001 -8.410 -1.257 948 2HG GLN 127 2HG GLN 127 5.291 -7.983 -1.191 949 1HE2 GLN 127 2HE2 GLN 127 7.773 -9.000 -3.294 950 2HE2 GLN 127 1HE2 GLN 127 7.001 -8.651 -4.765 951 H LEU 128 H LEU 128 8.228 -6.279 1.573 952 HA LEU 128 HA LEU 128 7.972 -9.096 2.153 953 1HB LEU 128 1HB LEU 128 10.144 -7.869 2.179 954 2HB LEU 128 2HB LEU 128 9.605 -6.998 3.614 955 HG LEU 128 HG LEU 128 9.175 -9.791 4.057 956 1HD1 LEU 128 1HD1 LEU 128 11.975 -9.057 3.150 957 2HD1 LEU 128 2HD1 LEU 128 11.529 -10.569 3.941 958 3HD1 LEU 128 3HD1 LEU 128 10.888 -10.187 2.343 959 1HD2 LEU 128 1HD2 LEU 128 10.913 -7.610 5.199 960 2HD2 LEU 128 2HD2 LEU 128 9.504 -8.389 5.920 961 3HD2 LEU 128 3HD2 LEU 128 11.034 -9.260 5.807 962 H ARG 129 H ARG 129 6.514 -6.294 3.480 963 HA ARG 129 HA ARG 129 6.081 -7.413 6.150 964 1HB ARG 129 1HB ARG 129 5.113 -4.962 4.684 965 2HB ARG 129 2HB ARG 129 4.393 -5.432 6.225 966 1HG ARG 129 1HG ARG 129 7.378 -5.106 5.837 967 2HG ARG 129 2HG ARG 129 6.334 -3.800 6.398 968 1HD ARG 129 1HD ARG 129 5.592 -5.214 8.290 969 2HD ARG 129 2HD ARG 129 6.668 -6.499 7.740 970 HE ARG 129 HE ARG 129 8.469 -5.308 8.686 971 1HH1 ARG 129 1HH1 ARG 129 8.104 -2.770 7.180 972 2HH1 ARG 129 2HH1 ARG 129 7.741 -1.636 8.437 973 1HH2 ARG 129 1HH2 ARG 129 6.974 -4.076 10.779 974 2HH2 ARG 129 2HH2 ARG 129 7.105 -2.375 10.479 975 H VAL 130 H VAL 130 4.419 -7.393 3.070 976 HA VAL 130 HA VAL 130 1.925 -8.420 4.275 977 HB VAL 130 HB VAL 130 1.134 -8.477 1.906 978 1HG1 VAL 130 1HG1 VAL 130 1.698 -6.245 3.525 979 2HG1 VAL 130 2HG1 VAL 130 2.205 -5.784 1.900 980 3HG1 VAL 130 3HG1 VAL 130 0.549 -6.319 2.190 981 1HG2 VAL 130 1HG2 VAL 130 3.737 -8.714 1.231 982 2HG2 VAL 130 2HG2 VAL 130 2.512 -8.098 0.120 983 3HG2 VAL 130 3HG2 VAL 130 3.535 -6.974 1.015 984 H ILE 131 H ILE 131 4.752 -9.587 2.581 985 HA ILE 131 HA ILE 131 3.710 -12.158 1.830 986 HB ILE 131 HB ILE 131 6.003 -12.787 1.447 987 1HG1 ILE 131 1HG1 ILE 131 6.844 -10.339 3.019 988 2HG1 ILE 131 2HG1 ILE 131 6.771 -11.955 3.724 989 1HG2 ILE 131 1HG2 ILE 131 5.050 -10.106 0.710 990 2HG2 ILE 131 2HG2 ILE 131 6.803 -10.278 0.625 991 3HG2 ILE 131 3HG2 ILE 131 5.764 -11.362 -0.301 992 1HD1 ILE 131 1HD1 ILE 131 8.168 -12.248 1.293 993 2HD1 ILE 131 2HD1 ILE 131 8.826 -10.796 2.048 994 3HD1 ILE 131 3HD1 ILE 131 8.841 -12.329 2.920 995 H GLU 132 H GLU 132 4.720 -10.821 4.854 996 HA GLU 132 HA GLU 132 5.297 -13.386 6.126 997 1HB GLU 132 1HB GLU 132 4.543 -10.957 7.707 998 2HB GLU 132 2HB GLU 132 5.798 -12.155 8.025 999 1HG GLU 132 1HG GLU 132 6.625 -11.075 5.630 1000 2HG GLU 132 2HG GLU 132 5.939 -9.673 6.455 1001 H LEU 133 H LEU 133 2.470 -11.409 5.584 1002 HA LEU 133 HA LEU 133 0.877 -12.886 7.578 1003 1HB LEU 133 1HB LEU 133 0.602 -10.426 6.057 1004 2HB LEU 133 2HB LEU 133 -0.854 -11.413 5.933 1005 HG LEU 133 HG LEU 133 -0.386 -11.685 8.570 1006 1HD1 LEU 133 1HD1 LEU 133 1.613 -9.996 8.044 1007 2HD1 LEU 133 2HD1 LEU 133 0.328 -8.804 8.230 1008 3HD1 LEU 133 3HD1 LEU 133 0.708 -9.904 9.554 1009 1HD2 LEU 133 1HD2 LEU 133 -1.775 -9.378 7.174 1010 2HD2 LEU 133 2HD2 LEU 133 -2.495 -10.917 7.645 1011 3HD2 LEU 133 3HD2 LEU 133 -1.988 -9.765 8.880 1012 H THR 134 H THR 134 0.959 -12.522 4.019 1013 HA THR 134 HA THR 134 -1.113 -14.184 3.250 1014 HB THR 134 HB THR 134 0.351 -14.854 1.298 1015 HG1 THR 134 HG1 THR 134 2.251 -14.456 2.943 1016 1HG2 THR 134 1HG2 THR 134 -0.970 -12.737 1.358 1017 2HG2 THR 134 2HG2 THR 134 0.438 -11.915 2.031 1018 3HG2 THR 134 3HG2 THR 134 0.507 -12.592 0.404 1019 H LYS 135 H LYS 135 1.889 -15.121 4.789 1020 HA LYS 135 HA LYS 135 2.075 -17.840 4.206 1021 1HB LYS 135 1HB LYS 135 2.496 -16.398 6.836 1022 2HB LYS 135 2HB LYS 135 2.932 -18.089 6.582 1023 1HG LYS 135 1HG LYS 135 3.955 -16.584 4.381 1024 2HG LYS 135 2HG LYS 135 4.428 -15.760 5.868 1025 1HD LYS 135 1HD LYS 135 5.529 -17.683 6.716 1026 2HD LYS 135 2HD LYS 135 4.754 -18.743 5.537 1027 1HE LYS 135 1HE LYS 135 6.287 -16.560 4.308 1028 2HE LYS 135 2HE LYS 135 7.278 -17.660 5.268 1029 1HZ LYS 135 1HZ LYS 135 5.579 -19.293 3.890 1030 2HZ LYS 135 2HZ LYS 135 5.996 -18.100 2.755 1031 3HZ LYS 135 3HZ LYS 135 7.211 -19.004 3.518 1032 H LYS 136 H LYS 136 0.389 -16.658 7.145 1033 HA LYS 136 HA LYS 136 -1.353 -19.073 6.959 1034 1HB LYS 136 1HB LYS 136 0.027 -17.922 9.112 1035 2HB LYS 136 2HB LYS 136 -1.664 -17.501 9.385 1036 1HG LYS 136 1HG LYS 136 -2.102 -20.019 8.774 1037 2HG LYS 136 2HG LYS 136 -0.402 -20.219 9.197 1038 1HD LYS 136 1HD LYS 136 -1.079 -20.364 11.345 1039 2HD LYS 136 2HD LYS 136 -1.415 -18.635 11.254 1040 1HE LYS 136 1HE LYS 136 -3.693 -19.320 10.252 1041 2HE LYS 136 2HE LYS 136 -3.327 -20.935 10.857 1042 1HZ LYS 136 1HZ LYS 136 -2.749 -19.306 12.956 1043 2HZ LYS 136 2HZ LYS 136 -4.136 -18.591 12.291 1044 3HZ LYS 136 3HZ LYS 136 -4.169 -20.220 12.771 1045 H ALA 137 H ALA 137 -1.691 -16.512 5.409 1046 HA ALA 137 HA ALA 137 -4.240 -15.512 6.579 1047 1HB ALA 137 1HB ALA 137 -2.115 -14.327 5.019 1048 2HB ALA 137 2HB ALA 137 -3.656 -14.133 4.183 1049 3HB ALA 137 3HB ALA 137 -3.464 -13.534 5.831 1050 H MET 138 H MET 138 -2.903 -17.085 3.705 1051 HA MET 138 HA MET 138 -5.364 -17.078 2.204 1052 1HB MET 138 1HB MET 138 -2.832 -18.719 2.049 1053 2HB MET 138 2HB MET 138 -4.193 -19.003 0.963 1054 1HG MET 138 1HG MET 138 -3.445 -16.169 1.209 1055 2HG MET 138 2HG MET 138 -2.183 -17.181 0.506 1056 1HE MET 138 1HE MET 138 -2.552 -18.928 -0.938 1057 2HE MET 138 2HE MET 138 -3.754 -19.080 -2.218 1058 3HE MET 138 3HE MET 138 -2.450 -17.904 -2.377 Start of MODEL 6 1 1H ALA 1 1H ALA 1 -20.357 5.423 10.580 2 2H ALA 1 2H ALA 1 -21.876 6.184 10.620 3 3H ALA 1 3H ALA 1 -21.138 5.688 12.065 4 HA ALA 1 HA ALA 1 -22.719 4.046 11.697 5 1HB ALA 1 1HB ALA 1 -22.756 4.972 9.145 6 2HB ALA 1 2HB ALA 1 -21.894 3.452 8.909 7 3HB ALA 1 3HB ALA 1 -23.502 3.450 9.632 8 H MET 2 H MET 2 -22.008 1.700 10.150 9 HA MET 2 HA MET 2 -19.280 1.110 11.218 10 1HB MET 2 1HB MET 2 -21.282 0.195 12.597 11 2HB MET 2 2HB MET 2 -21.501 -0.929 11.255 12 1HG MET 2 1HG MET 2 -19.971 -2.223 12.306 13 2HG MET 2 2HG MET 2 -18.779 -1.064 11.715 14 1HE MET 2 1HE MET 2 -20.145 -2.878 14.552 15 2HE MET 2 2HE MET 2 -20.297 -1.778 15.919 16 3HE MET 2 3HE MET 2 -21.420 -1.663 14.557 17 H THR 3 H THR 3 -17.989 -0.050 9.824 18 HA THR 3 HA THR 3 -17.287 -1.027 7.812 19 HB THR 3 HB THR 3 -19.525 -2.345 6.804 20 HG1 THR 3 HG1 THR 3 -19.570 -2.639 9.602 21 1HG2 THR 3 1HG2 THR 3 -17.421 -3.201 8.806 22 2HG2 THR 3 2HG2 THR 3 -18.508 -4.321 7.985 23 3HG2 THR 3 3HG2 THR 3 -17.357 -3.368 7.051 24 H TYR 4 H TYR 4 -17.307 -0.596 5.584 25 HA TYR 4 HA TYR 4 -19.564 0.896 4.422 26 1HB TYR 4 1HB TYR 4 -18.231 2.830 3.803 27 2HB TYR 4 2HB TYR 4 -18.118 2.615 5.549 28 HD1 TYR 4 HD1 TYR 4 -16.147 0.781 6.184 29 HD2 TYR 4 HD2 TYR 4 -16.235 3.362 2.751 30 HE1 TYR 4 HE1 TYR 4 -13.683 0.628 6.012 31 HE2 TYR 4 HE2 TYR 4 -13.765 3.205 2.572 32 HH TYR 4 HH TYR 4 -11.967 1.697 3.256 33 H HIS 5 H HIS 5 -18.240 1.786 2.123 34 HA HIS 5 HA HIS 5 -17.219 -0.785 0.988 35 1HB HIS 5 1HB HIS 5 -19.217 -0.480 -0.179 36 2HB HIS 5 2HB HIS 5 -19.102 1.278 -0.113 37 HD1 HIS 5 HD1 HIS 5 -18.549 -1.496 -2.383 38 HD2 HIS 5 HD2 HIS 5 -16.786 2.227 -1.789 39 HE1 HIS 5 HE1 HIS 5 -17.200 -0.994 -4.471 40 H LEU 6 H LEU 6 -15.393 -0.666 -0.355 41 HA LEU 6 HA LEU 6 -14.247 2.008 -0.786 42 1HB LEU 6 1HB LEU 6 -12.237 1.601 0.269 43 2HB LEU 6 2HB LEU 6 -13.305 0.645 1.295 44 HG LEU 6 HG LEU 6 -12.820 -1.261 -0.398 45 1HD1 LEU 6 1HD1 LEU 6 -10.980 0.890 -1.218 46 2HD1 LEU 6 2HD1 LEU 6 -10.203 -0.680 -1.003 47 3HD1 LEU 6 3HD1 LEU 6 -11.554 -0.509 -2.126 48 1HD2 LEU 6 1HD2 LEU 6 -11.356 -0.251 1.919 49 2HD2 LEU 6 2HD2 LEU 6 -11.846 -1.901 1.538 50 3HD2 LEU 6 3HD2 LEU 6 -10.346 -1.251 0.875 51 H ASP 7 H ASP 7 -12.810 2.077 -2.656 52 HA ASP 7 HA ASP 7 -12.632 -0.413 -4.249 53 1HB ASP 7 1HB ASP 7 -14.747 1.316 -4.678 54 2HB ASP 7 2HB ASP 7 -13.565 1.838 -5.878 55 H VAL 8 H VAL 8 -10.349 -0.204 -4.048 56 HA VAL 8 HA VAL 8 -9.159 2.265 -5.218 57 HB VAL 8 HB VAL 8 -7.119 1.652 -4.154 58 1HG1 VAL 8 1HG1 VAL 8 -9.099 2.357 -2.675 59 2HG1 VAL 8 2HG1 VAL 8 -9.210 0.658 -2.213 60 3HG1 VAL 8 3HG1 VAL 8 -7.744 1.574 -1.863 61 1HG2 VAL 8 1HG2 VAL 8 -8.407 -1.073 -3.938 62 2HG2 VAL 8 2HG2 VAL 8 -6.882 -0.645 -4.711 63 3HG2 VAL 8 3HG2 VAL 8 -7.014 -0.628 -2.953 64 H VAL 9 H VAL 9 -7.928 2.153 -7.102 65 HA VAL 9 HA VAL 9 -7.310 -0.476 -8.282 66 HB VAL 9 HB VAL 9 -8.557 -0.123 -10.314 67 1HG1 VAL 9 1HG1 VAL 9 -9.822 -1.072 -8.412 68 2HG1 VAL 9 2HG1 VAL 9 -10.301 0.554 -7.925 69 3HG1 VAL 9 3HG1 VAL 9 -10.867 -0.110 -9.457 70 1HG2 VAL 9 1HG2 VAL 9 -8.204 2.387 -10.293 71 2HG2 VAL 9 2HG2 VAL 9 -9.828 1.880 -10.759 72 3HG2 VAL 9 3HG2 VAL 9 -9.528 2.495 -9.133 73 H SER 10 H SER 10 -6.278 0.006 -10.586 74 HA SER 10 HA SER 10 -4.577 2.450 -10.289 75 1HB SER 10 1HB SER 10 -3.534 0.139 -11.835 76 2HB SER 10 2HB SER 10 -2.687 1.244 -10.757 77 HG SER 10 HG SER 10 -3.634 0.150 -9.006 78 H ALA 11 H ALA 11 -3.321 1.829 -12.904 79 HA ALA 11 HA ALA 11 -5.412 3.053 -14.584 80 1HB ALA 11 1HB ALA 11 -2.491 2.433 -15.115 81 2HB ALA 11 2HB ALA 11 -3.560 3.263 -16.248 82 3HB ALA 11 3HB ALA 11 -3.171 4.005 -14.696 83 H GLU 12 H GLU 12 -3.659 0.010 -14.288 84 HA GLU 12 HA GLU 12 -5.592 -1.205 -16.175 85 1HB GLU 12 1HB GLU 12 -2.592 -1.197 -16.540 86 2HB GLU 12 2HB GLU 12 -3.619 -2.431 -17.272 87 1HG GLU 12 1HG GLU 12 -5.010 -0.341 -18.096 88 2HG GLU 12 2HG GLU 12 -3.484 0.508 -17.851 89 H GLN 13 H GLN 13 -5.803 -1.646 -13.557 90 HA GLN 13 HA GLN 13 -5.539 -4.438 -13.232 91 1HB GLN 13 1HB GLN 13 -3.703 -4.431 -11.460 92 2HB GLN 13 2HB GLN 13 -3.155 -4.213 -13.122 93 1HG GLN 13 1HG GLN 13 -3.174 -1.737 -12.753 94 2HG GLN 13 2HG GLN 13 -3.574 -2.030 -11.060 95 1HE2 GLN 13 2HE2 GLN 13 -1.113 -0.738 -11.877 96 2HE2 GLN 13 1HE2 GLN 13 0.174 -1.759 -11.448 97 H GLN 14 H GLN 14 -7.146 -4.826 -11.792 98 HA GLN 14 HA GLN 14 -7.875 -2.682 -9.873 99 1HB GLN 14 1HB GLN 14 -9.291 -5.165 -10.859 100 2HB GLN 14 2HB GLN 14 -9.898 -4.210 -9.506 101 1HG GLN 14 1HG GLN 14 -9.446 -2.231 -11.299 102 2HG GLN 14 2HG GLN 14 -9.828 -3.556 -12.400 103 1HE2 GLN 14 2HE2 GLN 14 -11.950 -2.719 -12.961 104 2HE2 GLN 14 1HE2 GLN 14 -13.226 -2.689 -11.842 105 H MET 15 H MET 15 -8.522 -3.417 -7.639 106 HA MET 15 HA MET 15 -7.061 -5.829 -6.701 107 1HB MET 15 1HB MET 15 -6.636 -2.998 -5.723 108 2HB MET 15 2HB MET 15 -6.211 -4.405 -4.748 109 1HG MET 15 1HG MET 15 -5.242 -4.547 -7.524 110 2HG MET 15 2HG MET 15 -4.548 -3.221 -6.593 111 1HE MET 15 1HE MET 15 -2.601 -3.407 -5.296 112 2HE MET 15 2HE MET 15 -1.636 -4.889 -5.259 113 3HE MET 15 3HE MET 15 -2.167 -4.216 -6.799 114 H PHE 16 H PHE 16 -8.244 -3.275 -4.601 115 HA PHE 16 HA PHE 16 -10.306 -5.162 -3.598 116 1HB PHE 16 1HB PHE 16 -8.654 -3.917 -2.060 117 2HB PHE 16 2HB PHE 16 -9.615 -2.478 -2.397 118 HD1 PHE 16 HD1 PHE 16 -9.625 -5.820 -0.826 119 HD2 PHE 16 HD2 PHE 16 -11.901 -2.268 -1.583 120 HE1 PHE 16 HE1 PHE 16 -11.316 -6.539 0.837 121 HE2 PHE 16 HE2 PHE 16 -13.586 -2.965 0.059 122 HZ PHE 16 HZ PHE 16 -13.300 -5.117 1.282 123 H SER 17 H SER 17 -12.355 -4.926 -4.339 124 HA SER 17 HA SER 17 -13.460 -2.221 -4.722 125 1HB SER 17 1HB SER 17 -14.276 -2.823 -7.030 126 2HB SER 17 2HB SER 17 -12.533 -2.603 -6.919 127 HG SER 17 HG SER 17 -13.095 -4.519 -8.042 128 H GLY 18 H GLY 18 -14.695 -3.070 -2.878 129 1HA GLY 18 1HA GLY 18 -17.268 -4.045 -3.604 130 2HA GLY 18 2HA GLY 18 -16.325 -5.397 -2.968 131 H LEU 19 H LEU 19 -17.835 -5.428 -1.118 132 HA LEU 19 HA LEU 19 -18.159 -3.171 0.607 133 1HB LEU 19 1HB LEU 19 -18.382 -6.148 1.108 134 2HB LEU 19 2HB LEU 19 -18.759 -4.936 2.336 135 HG LEU 19 HG LEU 19 -20.084 -5.272 -0.368 136 1HD1 LEU 19 1HD1 LEU 19 -20.802 -6.761 1.523 137 2HD1 LEU 19 2HD1 LEU 19 -21.232 -5.314 2.435 138 3HD1 LEU 19 3HD1 LEU 19 -22.079 -5.696 0.937 139 1HD2 LEU 19 1HD2 LEU 19 -20.266 -3.053 1.688 140 2HD2 LEU 19 2HD2 LEU 19 -19.869 -2.904 -0.026 141 3HD2 LEU 19 3HD2 LEU 19 -21.511 -3.325 0.468 142 H VAL 20 H VAL 20 -17.277 -3.367 3.013 143 HA VAL 20 HA VAL 20 -14.731 -4.565 3.473 144 HB VAL 20 HB VAL 20 -13.540 -3.292 1.995 145 1HG1 VAL 20 1HG1 VAL 20 -15.918 -1.500 2.111 146 2HG1 VAL 20 2HG1 VAL 20 -14.412 -0.853 1.466 147 3HG1 VAL 20 3HG1 VAL 20 -15.162 -2.262 0.717 148 1HG2 VAL 20 1HG2 VAL 20 -13.976 -1.314 4.239 149 2HG2 VAL 20 2HG2 VAL 20 -12.598 -2.398 3.993 150 3HG2 VAL 20 3HG2 VAL 20 -12.855 -1.035 2.900 151 H GLU 21 H GLU 21 -13.748 -3.706 5.509 152 HA GLU 21 HA GLU 21 -15.748 -2.129 7.075 153 1HB GLU 21 1HB GLU 21 -15.717 -4.489 7.785 154 2HB GLU 21 2HB GLU 21 -13.979 -4.383 8.067 155 1HG GLU 21 1HG GLU 21 -15.484 -2.247 9.396 156 2HG GLU 21 2HG GLU 21 -15.939 -3.859 9.951 157 H LYS 22 H LYS 22 -12.271 -3.068 7.024 158 HA LYS 22 HA LYS 22 -11.621 -0.247 7.583 159 1HB LYS 22 1HB LYS 22 -11.926 -0.996 9.833 160 2HB LYS 22 2HB LYS 22 -11.037 -2.488 9.527 161 1HG LYS 22 1HG LYS 22 -8.988 -1.160 9.101 162 2HG LYS 22 2HG LYS 22 -9.883 0.313 9.470 163 1HD LYS 22 1HD LYS 22 -10.382 -0.596 11.737 164 2HD LYS 22 2HD LYS 22 -9.382 -2.000 11.363 165 1HE LYS 22 1HE LYS 22 -7.685 -0.776 12.242 166 2HE LYS 22 2HE LYS 22 -7.706 0.070 10.695 167 1HZ LYS 22 1HZ LYS 22 -9.671 1.308 12.038 168 2HZ LYS 22 2HZ LYS 22 -8.585 0.960 13.296 169 3HZ LYS 22 3HZ LYS 22 -8.068 1.863 11.958 170 H ILE 23 H ILE 23 -9.931 0.249 6.329 171 HA ILE 23 HA ILE 23 -7.996 -1.909 5.563 172 HB ILE 23 HB ILE 23 -7.528 -0.673 3.577 173 1HG1 ILE 23 1HG1 ILE 23 -9.216 1.642 4.540 174 2HG1 ILE 23 2HG1 ILE 23 -7.485 1.568 4.865 175 1HG2 ILE 23 1HG2 ILE 23 -10.137 -1.455 4.191 176 2HG2 ILE 23 2HG2 ILE 23 -10.320 0.147 3.477 177 3HG2 ILE 23 3HG2 ILE 23 -9.497 -1.129 2.581 178 1HD1 ILE 23 1HD1 ILE 23 -8.738 1.404 2.110 179 2HD1 ILE 23 2HD1 ILE 23 -7.979 2.841 2.794 180 3HD1 ILE 23 3HD1 ILE 23 -7.011 1.404 2.468 181 H GLN 24 H GLN 24 -5.772 -0.358 4.949 182 HA GLN 24 HA GLN 24 -5.211 1.754 6.771 183 1HB GLN 24 1HB GLN 24 -3.804 0.523 8.431 184 2HB GLN 24 2HB GLN 24 -5.515 0.114 8.543 185 1HG GLN 24 1HG GLN 24 -4.977 -1.845 6.962 186 2HG GLN 24 2HG GLN 24 -3.284 -1.519 7.329 187 1HE2 GLN 24 1HE2 GLN 24 -6.409 -2.054 9.062 188 2HE2 GLN 24 2HE2 GLN 24 -5.708 -2.890 10.362 189 H VAL 25 H VAL 25 -4.042 2.539 4.988 190 HA VAL 25 HA VAL 25 -1.702 0.925 4.109 191 HB VAL 25 HB VAL 25 -2.921 1.676 2.224 192 1HG1 VAL 25 1HG1 VAL 25 -3.372 4.050 3.936 193 2HG1 VAL 25 2HG1 VAL 25 -3.206 4.381 2.211 194 3HG1 VAL 25 3HG1 VAL 25 -4.454 3.272 2.781 195 1HG2 VAL 25 1HG2 VAL 25 -0.385 2.246 2.331 196 2HG2 VAL 25 2HG2 VAL 25 -1.350 2.997 1.061 197 3HG2 VAL 25 3HG2 VAL 25 -0.922 3.917 2.503 198 H THR 26 H THR 26 0.338 1.553 4.636 199 HA THR 26 HA THR 26 0.656 4.195 6.000 200 HB THR 26 HB THR 26 1.928 1.513 6.599 201 HG1 THR 26 HG1 THR 26 0.883 1.734 8.471 202 1HG2 THR 26 1HG2 THR 26 2.863 4.292 7.178 203 2HG2 THR 26 2HG2 THR 26 3.055 3.072 8.437 204 3HG2 THR 26 3HG2 THR 26 3.805 2.835 6.859 205 H GLY 27 H GLY 27 2.272 5.492 5.215 206 1HA GLY 27 1HA GLY 27 4.648 4.609 3.922 207 2HA GLY 27 2HA GLY 27 3.450 4.971 2.677 208 H SER 28 H SER 28 2.435 7.174 2.805 209 HA SER 28 HA SER 28 4.419 9.219 2.929 210 1HB SER 28 1HB SER 28 1.954 9.095 1.850 211 2HB SER 28 2HB SER 28 1.565 9.981 3.321 212 HG SER 28 HG SER 28 2.162 11.499 1.851 213 H GLU 29 H GLU 29 3.046 11.291 4.378 214 HA GLU 29 HA GLU 29 4.108 10.820 7.014 215 1HB GLU 29 1HB GLU 29 3.964 13.086 6.075 216 2HB GLU 29 2HB GLU 29 2.205 12.969 6.033 217 1HG GLU 29 1HG GLU 29 2.556 14.103 8.046 218 2HG GLU 29 2HG GLU 29 2.454 12.428 8.589 219 H GLY 30 H GLY 30 0.766 11.896 6.535 220 1HA GLY 30 1HA GLY 30 -0.270 10.663 8.834 221 2HA GLY 30 2HA GLY 30 -1.245 11.048 7.415 222 H GLU 31 H GLU 31 -0.288 8.526 9.339 223 HA GLU 31 HA GLU 31 -0.231 6.544 7.130 224 1HB GLU 31 1HB GLU 31 0.161 4.947 9.130 225 2HB GLU 31 2HB GLU 31 1.454 6.073 8.718 226 1HG GLU 31 1HG GLU 31 1.060 7.423 10.564 227 2HG GLU 31 2HG GLU 31 -0.635 6.946 10.681 228 H LEU 32 H LEU 32 -2.640 7.386 6.905 229 HA LEU 32 HA LEU 32 -4.375 5.715 8.684 230 1HB LEU 32 1HB LEU 32 -4.787 8.364 7.351 231 2HB LEU 32 2HB LEU 32 -6.189 7.304 7.543 232 HG LEU 32 HG LEU 32 -4.394 7.707 9.904 233 1HD1 LEU 32 1HD1 LEU 32 -6.256 9.758 8.715 234 2HD1 LEU 32 2HD1 LEU 32 -5.976 9.694 10.456 235 3HD1 LEU 32 3HD1 LEU 32 -4.628 9.987 9.356 236 1HD2 LEU 32 1HD2 LEU 32 -7.232 6.992 9.298 237 2HD2 LEU 32 2HD2 LEU 32 -6.121 6.280 10.469 238 3HD2 LEU 32 3HD2 LEU 32 -6.907 7.818 10.823 239 H GLY 33 H GLY 33 -6.240 4.714 7.588 240 1HA GLY 33 1HA GLY 33 -5.573 3.983 4.769 241 2HA GLY 33 2HA GLY 33 -6.404 2.907 5.897 242 H ILE 34 H ILE 34 -8.588 2.895 5.794 243 HA ILE 34 HA ILE 34 -10.083 5.332 5.165 244 HB ILE 34 HB ILE 34 -10.062 2.961 3.273 245 1HG1 ILE 34 1HG1 ILE 34 -8.382 4.748 2.881 246 2HG1 ILE 34 2HG1 ILE 34 -9.594 4.707 1.600 247 1HG2 ILE 34 1HG2 ILE 34 -12.389 3.895 3.967 248 2HG2 ILE 34 2HG2 ILE 34 -11.914 5.338 3.077 249 3HG2 ILE 34 3HG2 ILE 34 -12.027 3.788 2.247 250 1HD1 ILE 34 1HD1 ILE 34 -10.842 6.428 3.199 251 2HD1 ILE 34 2HD1 ILE 34 -9.200 6.738 3.764 252 3HD1 ILE 34 3HD1 ILE 34 -9.607 6.974 2.064 253 H TYR 35 H TYR 35 -12.130 5.220 6.049 254 HA TYR 35 HA TYR 35 -13.197 2.588 6.889 255 1HB TYR 35 1HB TYR 35 -13.143 4.770 8.945 256 2HB TYR 35 2HB TYR 35 -13.170 3.023 9.172 257 HD1 TYR 35 HD1 TYR 35 -10.966 5.838 8.051 258 HD2 TYR 35 HD2 TYR 35 -11.197 1.787 9.474 259 HE1 TYR 35 HE1 TYR 35 -8.504 5.789 8.324 260 HE2 TYR 35 HE2 TYR 35 -8.734 1.746 9.745 261 HH TYR 35 HH TYR 35 -6.900 3.719 10.148 262 HA PRO 36 HA PRO 36 -17.081 4.632 6.312 263 1HB PRO 36 1HB PRO 36 -18.559 4.171 8.584 264 2HB PRO 36 2HB PRO 36 -18.188 2.920 7.387 265 1HG PRO 36 1HG PRO 36 -17.056 3.297 10.107 266 2HG PRO 36 2HG PRO 36 -17.145 1.826 9.124 267 1HD PRO 36 1HD PRO 36 -14.862 3.484 9.511 268 2HD PRO 36 2HD PRO 36 -15.004 2.128 8.371 269 H GLY 37 H GLY 37 -15.125 6.493 7.293 270 1HA GLY 37 1HA GLY 37 -16.696 8.749 7.918 271 2HA GLY 37 2HA GLY 37 -16.079 8.115 9.446 272 H HIS 38 H HIS 38 -14.356 7.912 6.368 273 HA HIS 38 HA HIS 38 -11.990 9.099 7.560 274 1HB HIS 38 1HB HIS 38 -11.784 7.357 5.850 275 2HB HIS 38 2HB HIS 38 -12.619 8.377 4.679 276 HD1 HIS 38 HD1 HIS 38 -9.783 9.204 7.096 277 HD2 HIS 38 HD2 HIS 38 -10.619 9.307 3.012 278 HE1 HIS 38 HE1 HIS 38 -7.772 10.263 5.980 279 H ALA 39 H ALA 39 -11.102 11.145 7.129 280 HA ALA 39 HA ALA 39 -12.863 13.323 6.781 281 1HB ALA 39 1HB ALA 39 -10.010 12.928 7.048 282 2HB ALA 39 2HB ALA 39 -10.343 14.186 5.857 283 3HB ALA 39 3HB ALA 39 -10.981 14.330 7.494 284 HA PRO 40 HA PRO 40 -13.384 13.741 2.443 285 1HB PRO 40 1HB PRO 40 -13.408 16.477 2.182 286 2HB PRO 40 2HB PRO 40 -14.743 15.550 2.888 287 1HG PRO 40 1HG PRO 40 -12.715 17.255 4.255 288 2HG PRO 40 2HG PRO 40 -14.357 16.835 4.768 289 1HD PRO 40 1HD PRO 40 -11.963 15.676 5.745 290 2HD PRO 40 2HD PRO 40 -13.609 15.057 6.006 291 H LEU 41 H LEU 41 -11.028 12.879 2.233 292 HA LEU 41 HA LEU 41 -9.136 15.003 1.360 293 1HB LEU 41 1HB LEU 41 -8.863 12.383 2.590 294 2HB LEU 41 2HB LEU 41 -7.885 12.502 1.126 295 HG LEU 41 HG LEU 41 -6.643 13.275 3.136 296 1HD1 LEU 41 1HD1 LEU 41 -6.402 14.284 0.765 297 2HD1 LEU 41 2HD1 LEU 41 -7.276 15.671 1.413 298 3HD1 LEU 41 3HD1 LEU 41 -5.726 15.201 2.111 299 1HD2 LEU 41 1HD2 LEU 41 -8.978 14.261 4.022 300 2HD2 LEU 41 2HD2 LEU 41 -7.429 14.919 4.549 301 3HD2 LEU 41 3HD2 LEU 41 -8.341 15.726 3.274 302 H LEU 42 H LEU 42 -8.254 14.967 -0.760 303 HA LEU 42 HA LEU 42 -9.134 12.913 -2.664 304 1HB LEU 42 1HB LEU 42 -10.209 14.589 -4.181 305 2HB LEU 42 2HB LEU 42 -11.093 14.364 -2.671 306 HG LEU 42 HG LEU 42 -8.985 16.479 -2.747 307 1HD1 LEU 42 1HD1 LEU 42 -10.620 16.515 -4.845 308 2HD1 LEU 42 2HD1 LEU 42 -11.741 17.195 -3.666 309 3HD1 LEU 42 3HD1 LEU 42 -10.207 18.002 -3.991 310 1HD2 LEU 42 1HD2 LEU 42 -10.743 15.635 -0.863 311 2HD2 LEU 42 2HD2 LEU 42 -10.140 17.291 -0.941 312 3HD2 LEU 42 3HD2 LEU 42 -11.710 16.890 -1.637 313 H THR 43 H THR 43 -6.558 13.627 -1.819 314 HA THR 43 HA THR 43 -5.496 14.964 -4.274 315 HB THR 43 HB THR 43 -3.571 15.698 -2.809 316 HG1 THR 43 HG1 THR 43 -5.347 14.715 -0.833 317 1HG2 THR 43 1HG2 THR 43 -5.512 17.167 -3.413 318 2HG2 THR 43 2HG2 THR 43 -6.292 16.678 -1.909 319 3HG2 THR 43 3HG2 THR 43 -4.776 17.578 -1.865 320 H ALA 44 H ALA 44 -3.088 13.811 -2.146 321 HA ALA 44 HA ALA 44 -2.664 11.480 -3.943 322 1HB ALA 44 1HB ALA 44 -0.917 13.438 -3.089 323 2HB ALA 44 2HB ALA 44 -0.559 12.108 -1.987 324 3HB ALA 44 3HB ALA 44 -0.437 11.866 -3.730 325 H ILE 45 H ILE 45 -2.079 9.415 -2.980 326 HA ILE 45 HA ILE 45 -3.315 9.063 -0.290 327 HB ILE 45 HB ILE 45 -4.137 7.775 -2.375 328 1HG1 ILE 45 1HG1 ILE 45 -3.405 5.727 -0.388 329 2HG1 ILE 45 2HG1 ILE 45 -4.117 7.182 0.309 330 1HG2 ILE 45 1HG2 ILE 45 -1.448 7.153 -2.595 331 2HG2 ILE 45 2HG2 ILE 45 -2.133 5.693 -1.881 332 3HG2 ILE 45 3HG2 ILE 45 -2.763 6.305 -3.410 333 1HD1 ILE 45 1HD1 ILE 45 -5.424 6.065 -2.125 334 2HD1 ILE 45 2HD1 ILE 45 -5.630 5.169 -0.621 335 3HD1 ILE 45 3HD1 ILE 45 -6.147 6.852 -0.723 336 H LYS 46 H LYS 46 -2.228 7.020 0.858 337 HA LYS 46 HA LYS 46 0.597 7.753 1.197 338 1HB LYS 46 1HB LYS 46 -1.245 5.834 2.633 339 2HB LYS 46 2HB LYS 46 0.467 5.989 3.030 340 1HG LYS 46 1HG LYS 46 -0.336 7.577 4.480 341 2HG LYS 46 2HG LYS 46 -0.214 8.597 3.046 342 1HD LYS 46 1HD LYS 46 -2.713 7.145 3.019 343 2HD LYS 46 2HD LYS 46 -2.542 8.031 4.536 344 1HE LYS 46 1HE LYS 46 -1.759 9.996 2.975 345 2HE LYS 46 2HE LYS 46 -2.616 9.090 1.727 346 1HZ LYS 46 1HZ LYS 46 -3.875 9.702 4.328 347 2HZ LYS 46 2HZ LYS 46 -3.923 10.810 3.045 348 3HZ LYS 46 3HZ LYS 46 -4.622 9.273 2.863 349 HA PRO 47 HA PRO 47 1.627 4.397 -1.621 350 1HB PRO 47 1HB PRO 47 4.239 5.188 -1.940 351 2HB PRO 47 2HB PRO 47 2.884 5.902 -2.834 352 1HG PRO 47 1HG PRO 47 4.446 7.043 -0.564 353 2HG PRO 47 2HG PRO 47 3.559 7.880 -1.849 354 1HD PRO 47 1HD PRO 47 2.668 7.504 0.812 355 2HD PRO 47 2HD PRO 47 1.677 8.049 -0.557 356 H GLY 48 H GLY 48 2.083 2.395 -0.761 357 1HA GLY 48 1HA GLY 48 4.451 1.527 0.359 358 2HA GLY 48 2HA GLY 48 3.549 2.138 1.747 359 H MET 49 H MET 49 2.658 0.434 2.799 360 HA MET 49 HA MET 49 1.452 -1.751 1.141 361 1HB MET 49 1HB MET 49 1.745 -3.185 3.156 362 2HB MET 49 2HB MET 49 3.282 -2.552 2.565 363 1HG MET 49 1HG MET 49 3.643 -1.727 4.630 364 2HG MET 49 2HG MET 49 2.319 -0.598 4.338 365 1HE MET 49 1HE MET 49 3.120 -4.078 4.707 366 2HE MET 49 2HE MET 49 2.850 -4.369 6.424 367 3HE MET 49 3HE MET 49 1.620 -4.841 5.254 368 H ILE 50 H ILE 50 -0.513 -2.793 2.288 369 HA ILE 50 HA ILE 50 -1.940 -0.933 4.086 370 HB ILE 50 HB ILE 50 -2.519 -0.105 1.859 371 1HG1 ILE 50 1HG1 ILE 50 -4.652 -1.681 3.320 372 2HG1 ILE 50 2HG1 ILE 50 -4.322 0.048 3.419 373 1HG2 ILE 50 1HG2 ILE 50 -2.292 -2.804 1.149 374 2HG2 ILE 50 2HG2 ILE 50 -4.009 -2.441 0.967 375 3HG2 ILE 50 3HG2 ILE 50 -2.809 -1.485 0.097 376 1HD1 ILE 50 1HD1 ILE 50 -5.249 -1.355 0.900 377 2HD1 ILE 50 2HD1 ILE 50 -6.327 -0.509 2.011 378 3HD1 ILE 50 3HD1 ILE 50 -5.078 0.383 1.141 379 H ARG 51 H ARG 51 -3.650 -1.935 5.215 380 HA ARG 51 HA ARG 51 -3.830 -4.903 4.874 381 1HB ARG 51 1HB ARG 51 -3.063 -3.423 7.140 382 2HB ARG 51 2HB ARG 51 -4.724 -3.924 7.460 383 1HG ARG 51 1HG ARG 51 -4.189 -6.232 7.165 384 2HG ARG 51 2HG ARG 51 -2.616 -5.850 6.465 385 1HD ARG 51 1HD ARG 51 -1.655 -5.715 8.500 386 2HD ARG 51 2HD ARG 51 -2.923 -4.642 9.093 387 HE ARG 51 HE ARG 51 -3.814 -7.402 8.925 388 1HH1 ARG 51 1HH1 ARG 51 -1.330 -5.877 10.624 389 2HH1 ARG 51 2HH1 ARG 51 -1.913 -6.307 12.196 390 1HH2 ARG 51 1HH2 ARG 51 -4.898 -7.622 11.023 391 2HH2 ARG 51 2HH2 ARG 51 -3.930 -7.296 12.422 392 H ILE 52 H ILE 52 -6.087 -5.615 6.004 393 HA ILE 52 HA ILE 52 -8.233 -3.693 5.801 394 HB ILE 52 HB ILE 52 -7.293 -4.844 3.397 395 1HG1 ILE 52 1HG1 ILE 52 -9.908 -3.406 3.742 396 2HG1 ILE 52 2HG1 ILE 52 -8.356 -2.590 3.924 397 1HG2 ILE 52 1HG2 ILE 52 -8.715 -6.816 3.888 398 2HG2 ILE 52 2HG2 ILE 52 -10.108 -5.750 4.068 399 3HG2 ILE 52 3HG2 ILE 52 -9.319 -5.912 2.500 400 1HD1 ILE 52 1HD1 ILE 52 -8.302 -4.225 1.565 401 2HD1 ILE 52 2HD1 ILE 52 -9.704 -3.155 1.508 402 3HD1 ILE 52 3HD1 ILE 52 -8.085 -2.480 1.702 403 H VAL 53 H VAL 53 -10.285 -4.608 6.361 404 HA VAL 53 HA VAL 53 -10.255 -7.467 7.175 405 HB VAL 53 HB VAL 53 -10.836 -5.066 8.914 406 1HG1 VAL 53 1HG1 VAL 53 -12.124 -7.733 8.919 407 2HG1 VAL 53 2HG1 VAL 53 -11.522 -7.182 10.483 408 3HG1 VAL 53 3HG1 VAL 53 -12.692 -6.206 9.594 409 1HG2 VAL 53 1HG2 VAL 53 -8.641 -6.719 8.650 410 2HG2 VAL 53 2HG2 VAL 53 -9.019 -5.763 10.084 411 3HG2 VAL 53 3HG2 VAL 53 -9.508 -7.456 9.999 412 H LYS 54 H LYS 54 -12.342 -8.410 7.179 413 HA LYS 54 HA LYS 54 -14.684 -8.518 6.844 414 1HB LYS 54 1HB LYS 54 -14.794 -6.085 7.524 415 2HB LYS 54 2HB LYS 54 -14.582 -5.669 5.826 416 1HG LYS 54 1HG LYS 54 -16.944 -5.694 6.214 417 2HG LYS 54 2HG LYS 54 -16.573 -7.178 5.334 418 1HD LYS 54 1HD LYS 54 -18.016 -7.809 7.144 419 2HD LYS 54 2HD LYS 54 -16.393 -8.337 7.590 420 1HE LYS 54 1HE LYS 54 -16.186 -6.045 8.773 421 2HE LYS 54 2HE LYS 54 -17.939 -5.960 8.620 422 1HZ LYS 54 1HZ LYS 54 -17.956 -8.239 9.672 423 2HZ LYS 54 2HZ LYS 54 -16.329 -7.971 10.075 424 3HZ LYS 54 3HZ LYS 54 -17.536 -6.943 10.688 425 H GLN 55 H GLN 55 -14.893 -6.358 4.199 426 HA GLN 55 HA GLN 55 -15.037 -6.826 1.904 427 1HB GLN 55 1HB GLN 55 -12.572 -6.874 2.176 428 2HB GLN 55 2HB GLN 55 -12.658 -8.593 2.566 429 1HG GLN 55 1HG GLN 55 -14.004 -8.683 0.271 430 2HG GLN 55 2HG GLN 55 -13.074 -7.222 -0.058 431 1HE2 GLN 55 2HE2 GLN 55 -11.581 -8.139 -1.573 432 2HE2 GLN 55 1HE2 GLN 55 -10.470 -9.352 -1.151 433 H HIS 56 H HIS 56 -16.988 -8.149 3.070 434 HA HIS 56 HA HIS 56 -18.371 -10.038 2.920 435 1HB HIS 56 1HB HIS 56 -16.493 -10.520 0.595 436 2HB HIS 56 2HB HIS 56 -17.869 -11.567 0.945 437 HD1 HIS 56 HD1 HIS 56 -18.155 -10.234 -1.664 438 HD2 HIS 56 HD2 HIS 56 -19.270 -8.290 1.851 439 HE1 HIS 56 HE1 HIS 56 -19.781 -8.413 -2.338 440 H GLY 57 H GLY 57 -16.323 -10.151 4.844 441 1HA GLY 57 1HA GLY 57 -15.421 -11.770 6.293 442 2HA GLY 57 2HA GLY 57 -16.159 -13.009 5.276 443 H HIS 58 H HIS 58 -13.308 -10.966 5.671 444 HA HIS 58 HA HIS 58 -11.427 -12.857 4.878 445 1HB HIS 58 1HB HIS 58 -12.972 -11.983 2.636 446 2HB HIS 58 2HB HIS 58 -11.334 -11.355 2.449 447 HD1 HIS 58 HD1 HIS 58 -9.861 -12.953 1.246 448 HD2 HIS 58 HD2 HIS 58 -12.720 -14.951 3.530 449 HE1 HIS 58 HE1 HIS 58 -9.456 -15.430 0.896 450 H GLU 59 H GLU 59 -9.558 -11.983 5.609 451 HA GLU 59 HA GLU 59 -9.287 -9.006 5.531 452 1HB GLU 59 1HB GLU 59 -7.634 -10.769 7.319 453 2HB GLU 59 2HB GLU 59 -8.122 -9.089 7.555 454 1HG GLU 59 1HG GLU 59 -9.807 -9.846 8.844 455 2HG GLU 59 2HG GLU 59 -10.528 -10.525 7.385 456 H GLU 60 H GLU 60 -7.550 -8.171 4.405 457 HA GLU 60 HA GLU 60 -5.216 -9.873 3.839 458 1HB GLU 60 1HB GLU 60 -5.405 -9.664 1.405 459 2HB GLU 60 2HB GLU 60 -6.831 -10.478 2.049 460 1HG GLU 60 1HG GLU 60 -8.128 -8.903 1.106 461 2HG GLU 60 2HG GLU 60 -7.364 -7.688 2.132 462 H PHE 61 H PHE 61 -3.572 -8.583 2.530 463 HA PHE 61 HA PHE 61 -3.845 -5.660 3.097 464 1HB PHE 61 1HB PHE 61 -1.201 -5.923 3.267 465 2HB PHE 61 2HB PHE 61 -2.234 -6.214 4.666 466 HD1 PHE 61 HD1 PHE 61 -2.851 -8.548 5.307 467 HD2 PHE 61 HD2 PHE 61 -0.021 -7.707 2.192 468 HE1 PHE 61 HE1 PHE 61 -2.037 -10.888 5.415 469 HE2 PHE 61 HE2 PHE 61 0.802 -10.046 2.303 470 HZ PHE 61 HZ PHE 61 -0.216 -11.637 3.911 471 H ILE 62 H ILE 62 -3.362 -4.350 1.372 472 HA ILE 62 HA ILE 62 -2.429 -5.708 -1.111 473 HB ILE 62 HB ILE 62 -3.406 -2.880 -1.118 474 1HG1 ILE 62 1HG1 ILE 62 -5.290 -5.251 -1.000 475 2HG1 ILE 62 2HG1 ILE 62 -4.948 -4.225 0.393 476 1HG2 ILE 62 1HG2 ILE 62 -2.663 -4.638 -3.056 477 2HG2 ILE 62 2HG2 ILE 62 -4.398 -4.952 -2.991 478 3HG2 ILE 62 3HG2 ILE 62 -3.808 -3.324 -3.323 479 1HD1 ILE 62 1HD1 ILE 62 -5.550 -2.279 -1.302 480 2HD1 ILE 62 2HD1 ILE 62 -6.429 -3.568 -2.126 481 3HD1 ILE 62 3HD1 ILE 62 -6.825 -3.158 -0.457 482 H TYR 63 H TYR 63 -1.697 -3.011 -2.216 483 HA TYR 63 HA TYR 63 0.372 -1.824 -0.657 484 1HB TYR 63 1HB TYR 63 1.587 -3.880 -0.777 485 2HB TYR 63 2HB TYR 63 1.203 -4.088 -2.485 486 HD1 TYR 63 HD1 TYR 63 2.169 -2.496 -4.175 487 HD2 TYR 63 HD2 TYR 63 3.454 -2.564 -0.078 488 HE1 TYR 63 HE1 TYR 63 4.218 -1.257 -4.803 489 HE2 TYR 63 HE2 TYR 63 5.509 -1.319 -0.704 490 HH TYR 63 HH TYR 63 6.836 -1.155 -3.306 491 H LEU 64 H LEU 64 0.513 0.148 -1.594 492 HA LEU 64 HA LEU 64 0.215 0.310 -4.567 493 1HB LEU 64 1HB LEU 64 -0.919 1.971 -2.346 494 2HB LEU 64 2HB LEU 64 -0.537 2.762 -3.875 495 HG LEU 64 HG LEU 64 -1.918 0.230 -4.289 496 1HD1 LEU 64 1HD1 LEU 64 -2.824 1.780 -2.075 497 2HD1 LEU 64 2HD1 LEU 64 -3.981 2.007 -3.387 498 3HD1 LEU 64 3HD1 LEU 64 -3.608 0.382 -2.811 499 1HD2 LEU 64 1HD2 LEU 64 -2.451 3.126 -5.016 500 2HD2 LEU 64 2HD2 LEU 64 -1.687 1.904 -6.031 501 3HD2 LEU 64 3HD2 LEU 64 -3.397 1.769 -5.625 502 H SER 65 H SER 65 1.388 2.181 -5.541 503 HA SER 65 HA SER 65 3.904 2.734 -4.023 504 1HB SER 65 1HB SER 65 3.586 1.648 -6.551 505 2HB SER 65 2HB SER 65 3.912 3.344 -6.895 506 HG SER 65 HG SER 65 5.615 1.452 -6.156 507 H GLY 66 H GLY 66 1.063 4.141 -5.272 508 1HA GLY 66 1HA GLY 66 1.100 6.597 -4.197 509 2HA GLY 66 2HA GLY 66 2.245 6.840 -5.519 510 H GLY 67 H GLY 67 -0.210 8.243 -5.399 511 1HA GLY 67 1HA GLY 67 -1.217 8.194 -7.937 512 2HA GLY 67 2HA GLY 67 -2.108 6.880 -7.170 513 H ILE 68 H ILE 68 -3.954 8.412 -7.726 514 HA ILE 68 HA ILE 68 -4.213 10.621 -5.743 515 HB ILE 68 HB ILE 68 -6.198 10.027 -7.929 516 1HG1 ILE 68 1HG1 ILE 68 -3.690 11.703 -8.248 517 2HG1 ILE 68 2HG1 ILE 68 -3.867 10.070 -8.893 518 1HG2 ILE 68 1HG2 ILE 68 -5.303 12.452 -6.364 519 2HG2 ILE 68 2HG2 ILE 68 -6.282 12.590 -7.824 520 3HG2 ILE 68 3HG2 ILE 68 -6.909 11.726 -6.421 521 1HD1 ILE 68 1HD1 ILE 68 -6.119 11.121 -9.886 522 2HD1 ILE 68 2HD1 ILE 68 -5.176 12.606 -9.767 523 3HD1 ILE 68 3HD1 ILE 68 -4.580 11.258 -10.737 524 H LEU 69 H LEU 69 -6.536 10.812 -4.827 525 HA LEU 69 HA LEU 69 -7.959 8.253 -4.550 526 1HB LEU 69 1HB LEU 69 -7.640 7.978 -2.210 527 2HB LEU 69 2HB LEU 69 -6.027 8.293 -2.851 528 HG LEU 69 HG LEU 69 -7.100 10.833 -2.334 529 1HD1 LEU 69 1HD1 LEU 69 -8.513 8.963 -0.776 530 2HD1 LEU 69 2HD1 LEU 69 -7.324 9.677 0.315 531 3HD1 LEU 69 3HD1 LEU 69 -8.464 10.711 -0.545 532 1HD2 LEU 69 1HD2 LEU 69 -4.752 9.746 -1.989 533 2HD2 LEU 69 2HD2 LEU 69 -5.254 11.030 -0.889 534 3HD2 LEU 69 3HD2 LEU 69 -5.353 9.344 -0.379 535 H GLU 70 H GLU 70 -9.973 8.558 -3.230 536 HA GLU 70 HA GLU 70 -10.804 11.310 -2.663 537 1HB GLU 70 1HB GLU 70 -11.149 11.038 -5.147 538 2HB GLU 70 2HB GLU 70 -12.286 9.737 -4.788 539 1HG GLU 70 1HG GLU 70 -13.917 11.195 -4.225 540 2HG GLU 70 2HG GLU 70 -12.823 12.133 -3.207 541 H VAL 71 H VAL 71 -12.327 11.275 -1.040 542 HA VAL 71 HA VAL 71 -13.333 8.593 -0.231 543 HB VAL 71 HB VAL 71 -12.101 9.967 1.449 544 1HG1 VAL 71 1HG1 VAL 71 -14.276 11.895 0.713 545 2HG1 VAL 71 2HG1 VAL 71 -13.676 11.890 2.371 546 3HG1 VAL 71 3HG1 VAL 71 -12.570 12.204 1.034 547 1HG2 VAL 71 1HG2 VAL 71 -15.043 9.422 1.935 548 2HG2 VAL 71 2HG2 VAL 71 -13.686 8.354 2.289 549 3HG2 VAL 71 3HG2 VAL 71 -13.909 9.834 3.220 550 H GLN 72 H GLN 72 -15.580 8.321 0.290 551 HA GLN 72 HA GLN 72 -17.386 10.452 -0.766 552 1HB GLN 72 1HB GLN 72 -16.999 7.742 -1.766 553 2HB GLN 72 2HB GLN 72 -18.674 8.025 -1.286 554 1HG GLN 72 1HG GLN 72 -19.009 9.220 -3.160 555 2HG GLN 72 2HG GLN 72 -17.753 10.353 -2.660 556 1HE2 GLN 72 2HE2 GLN 72 -18.518 7.823 -4.904 557 2HE2 GLN 72 1HE2 GLN 72 -16.986 7.711 -5.627 558 HA PRO 73 HA PRO 73 -19.823 9.698 2.804 559 1HB PRO 73 1HB PRO 73 -22.381 9.873 1.812 560 2HB PRO 73 2HB PRO 73 -21.317 11.274 2.027 561 1HG PRO 73 1HG PRO 73 -22.089 9.872 -0.492 562 2HG PRO 73 2HG PRO 73 -21.609 11.560 -0.250 563 1HD PRO 73 1HD PRO 73 -19.959 9.509 -1.277 564 2HD PRO 73 2HD PRO 73 -19.407 11.094 -0.694 565 H GLY 74 H GLY 74 -19.562 7.551 3.500 566 1HA GLY 74 1HA GLY 74 -20.480 5.422 4.030 567 2HA GLY 74 2HA GLY 74 -21.713 5.677 2.794 568 H ASN 75 H ASN 75 -18.819 6.453 1.386 569 HA ASN 75 HA ASN 75 -18.000 3.701 0.716 570 1HB ASN 75 1HB ASN 75 -18.803 5.549 -1.534 571 2HB ASN 75 2HB ASN 75 -18.489 3.814 -1.600 572 1HD2 ASN 75 2HD2 ASN 75 -20.991 6.083 -1.461 573 2HD2 ASN 75 1HD2 ASN 75 -22.227 5.064 -0.898 574 H VAL 76 H VAL 76 -16.092 3.828 -0.895 575 HA VAL 76 HA VAL 76 -14.673 6.410 -0.872 576 HB VAL 76 HB VAL 76 -13.815 3.982 0.691 577 1HG1 VAL 76 1HG1 VAL 76 -12.070 6.007 -0.697 578 2HG1 VAL 76 2HG1 VAL 76 -11.549 5.261 0.814 579 3HG1 VAL 76 3HG1 VAL 76 -11.871 4.257 -0.600 580 1HG2 VAL 76 1HG2 VAL 76 -14.580 6.738 1.202 581 2HG2 VAL 76 2HG2 VAL 76 -14.375 5.411 2.345 582 3HG2 VAL 76 3HG2 VAL 76 -12.987 6.391 1.872 583 H THR 77 H THR 77 -13.132 6.531 -2.530 584 HA THR 77 HA THR 77 -12.444 4.095 -4.046 585 HB THR 77 HB THR 77 -13.169 5.740 -6.124 586 HG1 THR 77 HG1 THR 77 -15.477 6.124 -5.321 587 1HG2 THR 77 1HG2 THR 77 -14.198 3.330 -4.808 588 2HG2 THR 77 2HG2 THR 77 -15.428 4.202 -5.722 589 3HG2 THR 77 3HG2 THR 77 -13.955 3.657 -6.524 590 H VAL 78 H VAL 78 -10.434 4.334 -5.022 591 HA VAL 78 HA VAL 78 -9.322 7.086 -5.239 592 HB VAL 78 HB VAL 78 -7.332 6.535 -4.051 593 1HG1 VAL 78 1HG1 VAL 78 -9.539 6.829 -2.722 594 2HG1 VAL 78 2HG1 VAL 78 -9.432 5.094 -2.436 595 3HG1 VAL 78 3HG1 VAL 78 -8.149 6.161 -1.868 596 1HG2 VAL 78 1HG2 VAL 78 -8.360 3.684 -4.164 597 2HG2 VAL 78 2HG2 VAL 78 -6.896 4.322 -4.915 598 3HG2 VAL 78 3HG2 VAL 78 -6.999 4.186 -3.159 599 H LEU 79 H LEU 79 -7.446 7.181 -6.688 600 HA LEU 79 HA LEU 79 -7.385 4.882 -8.604 601 1HB LEU 79 1HB LEU 79 -7.278 7.865 -9.051 602 2HB LEU 79 2HB LEU 79 -6.638 6.743 -10.253 603 HG LEU 79 HG LEU 79 -9.119 5.663 -9.560 604 1HD1 LEU 79 1HD1 LEU 79 -9.100 8.496 -9.009 605 2HD1 LEU 79 2HD1 LEU 79 -10.173 8.162 -10.369 606 3HD1 LEU 79 3HD1 LEU 79 -10.424 7.344 -8.827 607 1HD2 LEU 79 1HD2 LEU 79 -7.757 6.803 -11.847 608 2HD2 LEU 79 2HD2 LEU 79 -8.979 5.532 -11.808 609 3HD2 LEU 79 3HD2 LEU 79 -9.469 7.225 -11.886 610 H ALA 80 H ALA 80 -5.305 4.330 -9.463 611 HA ALA 80 HA ALA 80 -2.958 5.761 -8.366 612 1HB ALA 80 1HB ALA 80 -3.889 3.642 -6.951 613 2HB ALA 80 2HB ALA 80 -2.826 2.811 -8.086 614 3HB ALA 80 3HB ALA 80 -2.181 4.071 -7.034 615 H ASP 81 H ASP 81 -0.915 4.273 -9.179 616 HA ASP 81 HA ASP 81 -1.474 3.658 -12.054 617 1HB ASP 81 1HB ASP 81 1.124 4.795 -11.000 618 2HB ASP 81 2HB ASP 81 0.589 4.685 -12.678 619 H THR 82 H THR 82 0.330 2.847 -9.140 620 HA THR 82 HA THR 82 1.326 0.387 -10.521 621 HB THR 82 HB THR 82 2.393 1.936 -8.149 622 HG1 THR 82 HG1 THR 82 4.301 1.610 -9.646 623 1HG2 THR 82 1HG2 THR 82 3.113 -0.831 -9.141 624 2HG2 THR 82 2HG2 THR 82 4.153 0.124 -8.084 625 3HG2 THR 82 3HG2 THR 82 2.558 -0.384 -7.528 626 H ALA 83 H ALA 83 1.363 -1.586 -9.102 627 HA ALA 83 HA ALA 83 -0.330 -1.592 -6.725 628 1HB ALA 83 1HB ALA 83 -1.657 -1.797 -9.161 629 2HB ALA 83 2HB ALA 83 -1.472 -3.475 -8.649 630 3HB ALA 83 3HB ALA 83 -2.287 -2.317 -7.597 631 H ILE 84 H ILE 84 1.732 -2.525 -5.987 632 HA ILE 84 HA ILE 84 2.285 -5.263 -7.002 633 HB ILE 84 HB ILE 84 3.869 -3.447 -5.161 634 1HG1 ILE 84 1HG1 ILE 84 5.069 -4.345 -7.675 635 2HG1 ILE 84 2HG1 ILE 84 3.597 -3.406 -7.929 636 1HG2 ILE 84 1HG2 ILE 84 3.961 -6.104 -4.987 637 2HG2 ILE 84 2HG2 ILE 84 4.989 -5.920 -6.408 638 3HG2 ILE 84 3HG2 ILE 84 5.429 -5.129 -4.894 639 1HD1 ILE 84 1HD1 ILE 84 5.479 -2.343 -5.895 640 2HD1 ILE 84 2HD1 ILE 84 6.027 -2.265 -7.570 641 3HD1 ILE 84 3HD1 ILE 84 4.518 -1.483 -7.099 642 H ARG 85 H ARG 85 0.134 -5.805 -5.860 643 HA ARG 85 HA ARG 85 -0.372 -5.729 -3.141 644 1HB ARG 85 1HB ARG 85 -1.785 -6.846 -4.933 645 2HB ARG 85 2HB ARG 85 -0.726 -8.249 -4.783 646 1HG ARG 85 1HG ARG 85 -1.610 -8.859 -2.775 647 2HG ARG 85 2HG ARG 85 -1.741 -7.190 -2.220 648 1HD ARG 85 1HD ARG 85 -3.848 -6.912 -3.107 649 2HD ARG 85 2HD ARG 85 -3.554 -8.039 -4.431 650 HE ARG 85 HE ARG 85 -3.943 -9.031 -1.638 651 1HH1 ARG 85 1HH2 ARG 85 -6.420 -8.504 -3.316 652 2HH1 ARG 85 2HH2 ARG 85 -6.704 -10.068 -4.002 653 1HH2 ARG 85 1HH1 ARG 85 -3.538 -11.267 -3.259 654 2HH2 ARG 85 2HH1 ARG 85 -5.075 -11.632 -3.969 655 H GLY 86 H GLY 86 0.006 -7.378 -1.427 656 1HA GLY 86 1HA GLY 86 2.700 -7.857 -0.880 657 2HA GLY 86 2HA GLY 86 1.395 -8.824 -0.192 658 H GLN 87 H GLN 87 0.411 -10.350 -2.082 659 HA GLN 87 HA GLN 87 2.777 -11.718 -3.305 660 1HB GLN 87 1HB GLN 87 1.478 -13.819 -3.077 661 2HB GLN 87 2HB GLN 87 1.756 -13.053 -1.513 662 1HG GLN 87 1HG GLN 87 -0.461 -12.959 -1.159 663 2HG GLN 87 2HG GLN 87 -0.650 -11.968 -2.606 664 1HE2 GLN 87 2HE2 GLN 87 -2.739 -13.666 -2.178 665 2HE2 GLN 87 1HE2 GLN 87 -2.672 -15.011 -3.211 666 H ASP 88 H ASP 88 1.934 -9.874 -4.944 667 HA ASP 88 HA ASP 88 -0.381 -10.182 -6.490 668 1HB ASP 88 1HB ASP 88 1.778 -8.555 -6.645 669 2HB ASP 88 2HB ASP 88 2.114 -9.630 -8.002 670 H LEU 89 H LEU 89 2.821 -11.500 -7.425 671 HA LEU 89 HA LEU 89 1.444 -13.956 -8.373 672 1HB LEU 89 1HB LEU 89 3.184 -12.144 -10.065 673 2HB LEU 89 2HB LEU 89 2.826 -13.815 -10.503 674 HG LEU 89 HG LEU 89 0.701 -11.733 -9.933 675 1HD1 LEU 89 1HD1 LEU 89 2.138 -12.517 -12.443 676 2HD1 LEU 89 2HD1 LEU 89 0.425 -12.110 -12.540 677 3HD1 LEU 89 3HD1 LEU 89 1.580 -10.927 -11.926 678 1HD2 LEU 89 1HD2 LEU 89 0.748 -14.621 -10.672 679 2HD2 LEU 89 2HD2 LEU 89 -0.413 -13.733 -9.686 680 3HD2 LEU 89 3HD2 LEU 89 -0.481 -13.620 -11.445 681 H ASP 90 H ASP 90 4.715 -12.974 -9.218 682 HA ASP 90 HA ASP 90 5.902 -15.363 -8.247 683 1HB ASP 90 1HB ASP 90 7.367 -12.727 -8.420 684 2HB ASP 90 2HB ASP 90 7.994 -14.349 -8.723 685 H GLU 91 H GLU 91 7.832 -15.096 -6.524 686 HA GLU 91 HA GLU 91 6.997 -13.439 -4.224 687 1HB GLU 91 1HB GLU 91 7.082 -16.467 -4.176 688 2HB GLU 91 2HB GLU 91 7.075 -15.470 -2.719 689 1HG GLU 91 1HG GLU 91 4.968 -14.358 -3.719 690 2HG GLU 91 2HG GLU 91 4.918 -15.742 -4.812 691 H ALA 92 H ALA 92 9.261 -15.834 -5.553 692 HA ALA 92 HA ALA 92 11.355 -15.041 -3.647 693 1HB ALA 92 1HB ALA 92 10.869 -17.266 -5.384 694 2HB ALA 92 2HB ALA 92 12.424 -16.555 -5.820 695 3HB ALA 92 3HB ALA 92 12.131 -17.090 -4.164 696 H ARG 93 H ARG 93 10.242 -14.094 -6.769 697 HA ARG 93 HA ARG 93 12.782 -12.971 -7.676 698 1HB ARG 93 1HB ARG 93 10.262 -13.517 -8.834 699 2HB ARG 93 2HB ARG 93 10.480 -11.770 -8.939 700 1HG ARG 93 1HG ARG 93 12.651 -12.066 -10.013 701 2HG ARG 93 2HG ARG 93 12.536 -13.816 -9.824 702 1HD ARG 93 1HD ARG 93 11.899 -12.939 -12.121 703 2HD ARG 93 2HD ARG 93 10.679 -13.944 -11.340 704 HE ARG 93 HE ARG 93 9.331 -11.984 -11.000 705 1HH1 ARG 93 1HH1 ARG 93 12.533 -11.120 -11.841 706 2HH1 ARG 93 2HH1 ARG 93 12.088 -9.625 -12.592 707 1HH2 ARG 93 1HH2 ARG 93 8.680 -10.146 -12.214 708 2HH2 ARG 93 2HH2 ARG 93 9.906 -9.073 -12.804 709 H ALA 94 H ALA 94 10.512 -12.046 -5.365 710 HA ALA 94 HA ALA 94 10.868 -9.144 -5.781 711 1HB ALA 94 1HB ALA 94 9.384 -10.768 -3.696 712 2HB ALA 94 2HB ALA 94 9.492 -9.008 -3.653 713 3HB ALA 94 3HB ALA 94 8.685 -9.809 -5.002 714 H MET 95 H MET 95 12.330 -11.744 -4.096 715 HA MET 95 HA MET 95 13.484 -10.240 -1.911 716 1HB MET 95 1HB MET 95 13.608 -12.956 -2.977 717 2HB MET 95 2HB MET 95 15.185 -12.388 -2.434 718 1HG MET 95 1HG MET 95 13.966 -11.599 -0.302 719 2HG MET 95 2HG MET 95 12.632 -12.619 -0.843 720 1HE MET 95 1HE MET 95 13.084 -13.184 1.517 721 2HE MET 95 2HE MET 95 13.842 -14.725 1.913 722 3HE MET 95 3HE MET 95 14.770 -13.233 2.052 723 H GLU 96 H GLU 96 14.023 -10.157 -5.225 724 HA GLU 96 HA GLU 96 16.918 -9.732 -5.133 725 1HB GLU 96 1HB GLU 96 14.828 -9.387 -7.298 726 2HB GLU 96 2HB GLU 96 16.534 -9.008 -7.545 727 1HG GLU 96 1HG GLU 96 16.667 -11.507 -6.403 728 2HG GLU 96 2HG GLU 96 15.202 -11.626 -7.378 729 H ALA 97 H ALA 97 14.009 -7.703 -5.423 730 HA ALA 97 HA ALA 97 15.170 -5.215 -5.941 731 1HB ALA 97 1HB ALA 97 12.660 -6.121 -5.108 732 2HB ALA 97 2HB ALA 97 13.161 -5.002 -3.841 733 3HB ALA 97 3HB ALA 97 13.086 -4.459 -5.517 734 H LYS 98 H LYS 98 14.361 -6.311 -2.627 735 HA LYS 98 HA LYS 98 15.728 -4.389 -1.176 736 1HB LYS 98 1HB LYS 98 14.573 -6.869 -0.611 737 2HB LYS 98 2HB LYS 98 16.240 -7.031 -0.059 738 1HG LYS 98 1HG LYS 98 14.604 -4.593 0.626 739 2HG LYS 98 2HG LYS 98 14.515 -6.056 1.607 740 1HD LYS 98 1HD LYS 98 16.907 -5.978 2.033 741 2HD LYS 98 2HD LYS 98 17.093 -4.609 0.934 742 1HE LYS 98 1HE LYS 98 16.306 -3.114 2.461 743 2HE LYS 98 2HE LYS 98 15.074 -4.227 3.057 744 1HZ LYS 98 1HZ LYS 98 17.894 -4.800 3.623 745 2HZ LYS 98 2HZ LYS 98 17.111 -3.595 4.528 746 3HZ LYS 98 3HZ LYS 98 16.511 -5.180 4.532 747 H ARG 99 H ARG 99 17.113 -7.100 -2.945 748 HA ARG 99 HA ARG 99 19.723 -7.076 -1.824 749 1HB ARG 99 1HB ARG 99 18.412 -8.335 -4.003 750 2HB ARG 99 2HB ARG 99 19.865 -7.572 -4.652 751 1HG ARG 99 1HG ARG 99 21.161 -8.629 -2.757 752 2HG ARG 99 2HG ARG 99 19.701 -9.532 -2.347 753 1HD ARG 99 1HD ARG 99 20.579 -11.077 -3.784 754 2HD ARG 99 2HD ARG 99 19.845 -10.043 -5.010 755 HE ARG 99 HE ARG 99 22.241 -8.876 -4.866 756 1HH1 ARG 99 1HH1 ARG 99 23.440 -11.132 -3.350 757 2HH1 ARG 99 2HH1 ARG 99 24.040 -12.158 -4.610 758 1HH2 ARG 99 1HH2 ARG 99 22.140 -10.663 -7.096 759 2HH2 ARG 99 2HH2 ARG 99 23.304 -11.892 -6.730 760 H LYS 100 H LYS 100 18.626 -5.450 -4.832 761 HA LYS 100 HA LYS 100 21.084 -3.889 -4.972 762 1HB LYS 100 1HB LYS 100 18.681 -4.285 -6.616 763 2HB LYS 100 2HB LYS 100 19.291 -2.631 -6.649 764 1HG LYS 100 1HG LYS 100 21.615 -4.065 -6.858 765 2HG LYS 100 2HG LYS 100 20.487 -5.096 -7.739 766 1HD LYS 100 1HD LYS 100 20.478 -3.678 -9.486 767 2HD LYS 100 2HD LYS 100 20.036 -2.330 -8.436 768 1HE LYS 100 1HE LYS 100 22.099 -1.577 -9.133 769 2HE LYS 100 2HE LYS 100 22.611 -2.529 -7.740 770 1HZ LYS 100 1HZ LYS 100 22.380 -3.725 -10.432 771 2HZ LYS 100 2HZ LYS 100 23.798 -2.934 -9.932 772 3HZ LYS 100 3HZ LYS 100 23.249 -4.299 -9.090 773 H ALA 101 H ALA 101 18.601 -3.650 -2.864 774 HA ALA 101 HA ALA 101 18.241 -0.729 -2.985 775 1HB ALA 101 1HB ALA 101 16.466 -2.475 -2.255 776 2HB ALA 101 2HB ALA 101 17.342 -2.513 -0.725 777 3HB ALA 101 3HB ALA 101 16.620 -1.007 -1.291 778 H GLU 102 H GLU 102 19.714 -3.107 -0.770 779 HA GLU 102 HA GLU 102 20.714 -1.171 1.095 780 1HB GLU 102 1HB GLU 102 20.553 -3.500 1.741 781 2HB GLU 102 2HB GLU 102 21.635 -3.982 0.434 782 1HG GLU 102 1HG GLU 102 23.033 -3.935 2.338 783 2HG GLU 102 2HG GLU 102 23.358 -2.398 1.538 784 H GLU 103 H GLU 103 22.023 -2.503 -1.907 785 HA GLU 103 HA GLU 103 24.654 -1.298 -1.505 786 1HB GLU 103 1HB GLU 103 23.702 -3.307 -3.120 787 2HB GLU 103 2HB GLU 103 23.867 -1.973 -4.261 788 1HG GLU 103 1HG GLU 103 26.146 -1.924 -4.083 789 2HG GLU 103 2HG GLU 103 26.121 -2.336 -2.368 790 H HIS 104 H HIS 104 21.607 -0.179 -2.594 791 HA HIS 104 HA HIS 104 22.666 1.897 -4.362 792 1HB HIS 104 1HB HIS 104 20.396 0.949 -4.684 793 2HB HIS 104 2HB HIS 104 19.913 1.610 -3.122 794 HD1 HIS 104 HD1 HIS 104 19.342 4.088 -3.012 795 HD2 HIS 104 HD2 HIS 104 20.959 2.980 -6.692 796 HE1 HIS 104 HE1 HIS 104 19.061 6.081 -4.548 797 H ILE 105 H ILE 105 20.770 2.148 -1.326 798 HA ILE 105 HA ILE 105 21.479 4.853 -0.820 799 HB ILE 105 HB ILE 105 20.787 2.699 1.200 800 1HG1 ILE 105 1HG1 ILE 105 19.009 4.642 -0.313 801 2HG1 ILE 105 2HG1 ILE 105 19.109 2.905 -0.615 802 1HG2 ILE 105 1HG2 ILE 105 20.810 5.720 1.271 803 2HG2 ILE 105 2HG2 ILE 105 19.861 4.764 2.409 804 3HG2 ILE 105 3HG2 ILE 105 21.616 4.600 2.370 805 1HD1 ILE 105 1HD1 ILE 105 18.555 2.673 1.921 806 2HD1 ILE 105 2HD1 ILE 105 17.993 4.339 1.787 807 3HD1 ILE 105 3HD1 ILE 105 17.247 3.075 0.808 808 H SER 106 H SER 106 23.357 2.003 -0.569 809 HA SER 106 HA SER 106 25.135 2.967 1.535 810 1HB SER 106 1HB SER 106 24.956 0.578 1.227 811 2HB SER 106 2HB SER 106 25.370 0.716 -0.479 812 HG SER 106 HG SER 106 27.193 0.124 0.702 813 H SER 107 H SER 107 25.537 5.113 0.536 814 HA SER 107 HA SER 107 28.064 5.282 -0.728 815 1HB SER 107 1HB SER 107 27.665 5.490 -2.992 816 2HB SER 107 2HB SER 107 26.373 4.364 -2.592 817 HG SER 107 HG SER 107 24.927 5.950 -2.730 818 H SER 108 H SER 108 28.767 7.320 -0.269 819 HA SER 108 HA SER 108 28.686 9.560 0.432 820 1HB SER 108 1HB SER 108 26.220 9.661 -1.326 821 2HB SER 108 2HB SER 108 27.239 11.018 -0.854 822 HG SER 108 HG SER 108 27.589 9.131 -2.810 823 H HIS 109 H HIS 109 28.167 9.606 2.595 824 HA HIS 109 HA HIS 109 25.557 8.840 3.595 825 1HB HIS 109 1HB HIS 109 28.054 9.207 4.724 826 2HB HIS 109 2HB HIS 109 27.147 10.592 5.332 827 HD1 HIS 109 HD1 HIS 109 28.000 8.055 7.074 828 HD2 HIS 109 HD2 HIS 109 24.229 8.727 5.428 829 HE1 HIS 109 HE1 HIS 109 26.366 6.696 8.450 830 H GLY 110 H GLY 110 25.220 11.032 5.485 831 1HA GLY 110 1HA GLY 110 25.002 13.587 4.947 832 2HA GLY 110 2HA GLY 110 24.008 13.004 3.611 833 H ASP 111 H ASP 111 23.425 14.558 6.220 834 HA ASP 111 HA ASP 111 21.687 12.804 7.749 835 1HB ASP 111 1HB ASP 111 22.813 14.969 8.558 836 2HB ASP 111 2HB ASP 111 21.538 15.822 7.685 837 H VAL 112 H VAL 112 20.971 15.591 5.605 838 HA VAL 112 HA VAL 112 18.383 14.238 4.956 839 HB VAL 112 HB VAL 112 17.428 16.518 4.657 840 1HG1 VAL 112 1HG1 VAL 112 18.489 15.469 7.227 841 2HG1 VAL 112 2HG1 VAL 112 17.916 17.137 7.246 842 3HG1 VAL 112 3HG1 VAL 112 16.828 15.837 6.762 843 1HG2 VAL 112 1HG2 VAL 112 19.730 17.545 4.216 844 2HG2 VAL 112 2HG2 VAL 112 18.667 18.472 5.276 845 3HG2 VAL 112 3HG2 VAL 112 19.974 17.507 5.963 846 H ASP 113 H ASP 113 21.336 15.301 3.776 847 HA ASP 113 HA ASP 113 20.696 16.336 1.209 848 1HB ASP 113 1HB ASP 113 22.968 16.443 1.996 849 2HB ASP 113 2HB ASP 113 23.035 14.690 2.197 850 H TYR 114 H TYR 114 22.320 13.239 1.191 851 HA TYR 114 HA TYR 114 20.577 12.243 -0.912 852 1HB TYR 114 1HB TYR 114 23.115 11.697 -0.350 853 2HB TYR 114 2HB TYR 114 22.396 10.452 0.668 854 HD1 TYR 114 HD1 TYR 114 20.455 9.053 -0.499 855 HD2 TYR 114 HD2 TYR 114 23.538 11.193 -2.586 856 HE1 TYR 114 HE1 TYR 114 20.091 7.627 -2.495 857 HE2 TYR 114 HE2 TYR 114 23.176 9.767 -4.582 858 HH TYR 114 HH TYR 114 20.473 7.617 -4.839 859 H ALA 115 H ALA 115 20.696 12.115 2.527 860 HA ALA 115 HA ALA 115 19.219 9.752 3.062 861 1HB ALA 115 1HB ALA 115 20.124 12.087 4.485 862 2HB ALA 115 2HB ALA 115 18.450 11.743 4.932 863 3HB ALA 115 3HB ALA 115 19.689 10.503 5.133 864 H GLN 116 H GLN 116 18.246 12.820 1.754 865 HA GLN 116 HA GLN 116 15.451 12.670 2.435 866 1HB GLN 116 1HB GLN 116 17.169 14.308 0.691 867 2HB GLN 116 2HB GLN 116 15.524 14.101 0.088 868 1HG GLN 116 1HG GLN 116 16.270 15.055 2.869 869 2HG GLN 116 2HG GLN 116 15.684 16.079 1.558 870 1HE2 GLN 116 2HE2 GLN 116 14.705 13.892 4.086 871 2HE2 GLN 116 1HE2 GLN 116 13.042 13.923 3.748 872 H ALA 117 H ALA 117 17.320 11.619 -0.412 873 HA ALA 117 HA ALA 117 14.972 10.618 -1.802 874 1HB ALA 117 1HB ALA 117 17.819 10.873 -2.320 875 2HB ALA 117 2HB ALA 117 17.230 9.283 -2.809 876 3HB ALA 117 3HB ALA 117 16.487 10.740 -3.469 877 H SER 118 H SER 118 16.809 9.477 0.814 878 HA SER 118 HA SER 118 16.536 6.627 0.269 879 1HB SER 118 1HB SER 118 16.885 7.715 3.041 880 2HB SER 118 2HB SER 118 17.620 6.295 2.298 881 HG SER 118 HG SER 118 19.248 7.597 2.004 882 H ALA 119 H ALA 119 14.273 8.940 0.967 883 HA ALA 119 HA ALA 119 12.668 7.310 2.827 884 1HB ALA 119 1HB ALA 119 12.485 10.052 1.660 885 2HB ALA 119 2HB ALA 119 10.981 9.276 2.157 886 3HB ALA 119 3HB ALA 119 12.272 9.527 3.331 887 H GLU 120 H GLU 120 13.074 7.669 -0.559 888 HA GLU 120 HA GLU 120 10.354 6.787 -1.239 889 1HB GLU 120 1HB GLU 120 11.090 6.899 -3.534 890 2HB GLU 120 2HB GLU 120 11.742 8.314 -2.704 891 1HG GLU 120 1HG GLU 120 13.844 7.676 -3.188 892 2HG GLU 120 2HG GLU 120 13.576 6.113 -2.416 893 H LEU 121 H LEU 121 13.334 5.328 -0.372 894 HA LEU 121 HA LEU 121 12.742 2.788 -1.751 895 1HB LEU 121 1HB LEU 121 15.084 4.013 -0.863 896 2HB LEU 121 2HB LEU 121 14.837 2.692 0.280 897 HG LEU 121 HG LEU 121 14.938 2.472 -2.741 898 1HD1 LEU 121 1HD1 LEU 121 17.055 2.651 -1.144 899 2HD1 LEU 121 2HD1 LEU 121 16.680 0.956 -0.833 900 3HD1 LEU 121 3HD1 LEU 121 17.026 1.496 -2.476 901 1HD2 LEU 121 1HD2 LEU 121 13.794 0.734 -0.661 902 2HD2 LEU 121 2HD2 LEU 121 13.552 0.702 -2.407 903 3HD2 LEU 121 3HD2 LEU 121 14.961 -0.085 -1.699 904 H ALA 122 H ALA 122 12.921 4.013 1.598 905 HA ALA 122 HA ALA 122 12.243 1.573 2.891 906 1HB ALA 122 1HB ALA 122 12.481 4.364 3.611 907 2HB ALA 122 2HB ALA 122 11.063 3.656 4.383 908 3HB ALA 122 3HB ALA 122 12.654 2.938 4.634 909 H LYS 123 H LYS 123 10.225 4.043 1.371 910 HA LYS 123 HA LYS 123 7.722 2.948 2.353 911 1HB LYS 123 1HB LYS 123 6.694 4.421 0.633 912 2HB LYS 123 2HB LYS 123 7.869 5.286 1.625 913 1HG LYS 123 1HG LYS 123 9.532 5.187 -0.090 914 2HG LYS 123 2HG LYS 123 8.596 4.020 -1.024 915 1HD LYS 123 1HD LYS 123 6.880 6.218 -0.638 916 2HD LYS 123 2HD LYS 123 8.447 6.911 -1.057 917 1HE LYS 123 1HE LYS 123 8.561 5.654 -3.092 918 2HE LYS 123 2HE LYS 123 7.192 4.646 -2.623 919 1HZ LYS 123 1HZ LYS 123 6.026 6.981 -2.487 920 2HZ LYS 123 2HZ LYS 123 7.224 7.396 -3.618 921 3HZ LYS 123 3HZ LYS 123 6.141 6.135 -3.955 922 H ALA 124 H ALA 124 9.805 2.334 -0.397 923 HA ALA 124 HA ALA 124 7.762 0.700 -1.755 924 1HB ALA 124 1HB ALA 124 10.086 2.062 -2.571 925 2HB ALA 124 2HB ALA 124 10.467 0.349 -2.746 926 3HB ALA 124 3HB ALA 124 9.064 1.029 -3.569 927 H ILE 125 H ILE 125 9.944 0.283 0.776 928 HA ILE 125 HA ILE 125 10.645 -2.494 0.181 929 HB ILE 125 HB ILE 125 11.746 -0.533 1.774 930 1HG1 ILE 125 1HG1 ILE 125 13.286 -2.322 2.502 931 2HG1 ILE 125 2HG1 ILE 125 12.122 -3.535 1.964 932 1HG2 ILE 125 1HG2 ILE 125 9.915 -1.043 3.478 933 2HG2 ILE 125 2HG2 ILE 125 10.676 -2.620 3.684 934 3HG2 ILE 125 3HG2 ILE 125 11.571 -1.152 4.074 935 1HD1 ILE 125 1HD1 ILE 125 12.769 -1.486 -0.057 936 2HD1 ILE 125 2HD1 ILE 125 14.125 -2.522 0.392 937 3HD1 ILE 125 3HD1 ILE 125 12.638 -3.236 -0.231 938 H ALA 126 H ALA 126 7.842 -1.015 1.190 939 HA ALA 126 HA ALA 126 6.997 -2.910 3.222 940 1HB ALA 126 1HB ALA 126 6.021 -0.483 2.164 941 2HB ALA 126 2HB ALA 126 4.786 -1.691 1.812 942 3HB ALA 126 3HB ALA 126 5.317 -1.433 3.473 943 H GLN 127 H GLN 127 6.920 -2.808 -0.275 944 HA GLN 127 HA GLN 127 4.857 -4.749 -0.698 945 1HB GLN 127 1HB GLN 127 6.127 -5.148 -2.893 946 2HB GLN 127 2HB GLN 127 5.572 -3.500 -2.600 947 1HG GLN 127 1HG GLN 127 7.687 -2.741 -2.688 948 2HG GLN 127 2HG GLN 127 8.158 -3.841 -1.393 949 1HE2 GLN 127 2HE2 GLN 127 8.773 -6.109 -2.085 950 2HE2 GLN 127 1HE2 GLN 127 9.423 -6.342 -3.635 951 H LEU 128 H LEU 128 8.294 -5.034 0.045 952 HA LEU 128 HA LEU 128 8.310 -7.934 -0.372 953 1HB LEU 128 1HB LEU 128 10.315 -6.347 -0.635 954 2HB LEU 128 2HB LEU 128 10.384 -6.325 1.127 955 HG LEU 128 HG LEU 128 10.536 -8.810 1.123 956 1HD1 LEU 128 1HD1 LEU 128 9.833 -8.393 -1.644 957 2HD1 LEU 128 2HD1 LEU 128 11.362 -9.268 -1.547 958 3HD1 LEU 128 3HD1 LEU 128 9.926 -9.909 -0.746 959 1HD2 LEU 128 1HD2 LEU 128 12.544 -7.043 -0.218 960 2HD2 LEU 128 2HD2 LEU 128 12.669 -7.928 1.303 961 3HD2 LEU 128 3HD2 LEU 128 12.839 -8.781 -0.231 962 H ARG 129 H ARG 129 7.243 -5.862 2.082 963 HA ARG 129 HA ARG 129 7.836 -7.729 4.286 964 1HB ARG 129 1HB ARG 129 6.863 -4.963 4.020 965 2HB ARG 129 2HB ARG 129 6.051 -5.883 5.286 966 1HG ARG 129 1HG ARG 129 8.969 -6.273 5.211 967 2HG ARG 129 2HG ARG 129 8.473 -4.622 5.589 968 1HD ARG 129 1HD ARG 129 6.881 -6.648 6.990 969 2HD ARG 129 2HD ARG 129 8.593 -6.705 7.405 970 HE ARG 129 HE ARG 129 7.703 -3.985 7.468 971 1HH1 ARG 129 1HH1 ARG 129 9.245 -5.651 9.570 972 2HH1 ARG 129 2HH1 ARG 129 8.158 -5.536 10.914 973 1HH2 ARG 129 1HH2 ARG 129 5.493 -4.412 9.001 974 2HH2 ARG 129 2HH2 ARG 129 6.033 -4.837 10.592 975 H VAL 130 H VAL 130 5.153 -6.825 2.203 976 HA VAL 130 HA VAL 130 3.272 -8.500 3.752 977 HB VAL 130 HB VAL 130 1.743 -7.826 1.735 978 1HG1 VAL 130 1HG1 VAL 130 2.592 -6.436 4.153 979 2HG1 VAL 130 2HG1 VAL 130 2.007 -5.314 2.924 980 3HG1 VAL 130 3HG1 VAL 130 0.970 -6.626 3.485 981 1HG2 VAL 130 1HG2 VAL 130 3.864 -6.990 0.489 982 2HG2 VAL 130 2HG2 VAL 130 2.418 -5.979 0.440 983 3HG2 VAL 130 3HG2 VAL 130 3.739 -5.578 1.539 984 H ILE 131 H ILE 131 5.482 -8.883 1.196 985 HA ILE 131 HA ILE 131 3.977 -11.083 -0.075 986 HB ILE 131 HB ILE 131 5.351 -9.490 -1.426 987 1HG1 ILE 131 1HG1 ILE 131 6.034 -12.438 -1.395 988 2HG1 ILE 131 2HG1 ILE 131 4.910 -11.593 -2.458 989 1HG2 ILE 131 1HG2 ILE 131 7.155 -9.323 0.360 990 2HG2 ILE 131 2HG2 ILE 131 7.723 -10.903 -0.179 991 3HG2 ILE 131 3HG2 ILE 131 7.749 -9.532 -1.288 992 1HD1 ILE 131 1HD1 ILE 131 7.334 -10.271 -2.852 993 2HD1 ILE 131 2HD1 ILE 131 7.785 -11.972 -2.744 994 3HD1 ILE 131 3HD1 ILE 131 6.603 -11.447 -3.943 995 H GLU 132 H GLU 132 6.462 -10.625 2.311 996 HA GLU 132 HA GLU 132 7.531 -13.327 2.123 997 1HB GLU 132 1HB GLU 132 8.009 -10.923 3.745 998 2HB GLU 132 2HB GLU 132 8.200 -12.432 4.641 999 1HG GLU 132 1HG GLU 132 9.477 -11.953 1.939 1000 2HG GLU 132 2HG GLU 132 10.295 -11.602 3.462 1001 H LEU 133 H LEU 133 5.145 -11.694 4.200 1002 HA LEU 133 HA LEU 133 4.743 -14.130 5.778 1003 1HB LEU 133 1HB LEU 133 3.277 -12.872 7.127 1004 2HB LEU 133 2HB LEU 133 4.506 -11.714 6.635 1005 HG LEU 133 HG LEU 133 2.467 -10.564 6.336 1006 1HD1 LEU 133 1HD1 LEU 133 3.309 -11.777 3.701 1007 2HD1 LEU 133 2HD1 LEU 133 2.124 -10.483 3.825 1008 3HD1 LEU 133 3HD1 LEU 133 3.777 -10.219 4.373 1009 1HD2 LEU 133 1HD2 LEU 133 1.258 -12.963 6.377 1010 2HD2 LEU 133 2HD2 LEU 133 0.448 -11.505 5.800 1011 3HD2 LEU 133 3HD2 LEU 133 1.160 -12.635 4.647 1012 H THR 134 H THR 134 3.871 -13.430 2.715 1013 HA THR 134 HA THR 134 1.085 -14.380 2.875 1014 HB THR 134 HB THR 134 1.295 -14.271 0.322 1015 HG1 THR 134 HG1 THR 134 3.344 -14.221 -0.196 1016 1HG2 THR 134 1HG2 THR 134 1.598 -11.948 2.200 1017 2HG2 THR 134 2HG2 THR 134 1.550 -11.663 0.461 1018 3HG2 THR 134 3HG2 THR 134 0.188 -12.446 1.264 1019 H LYS 135 H LYS 135 4.194 -15.763 2.673 1020 HA LYS 135 HA LYS 135 3.533 -18.083 1.074 1021 1HB LYS 135 1HB LYS 135 5.637 -18.994 1.863 1022 2HB LYS 135 2HB LYS 135 5.873 -17.277 1.529 1023 1HG LYS 135 1HG LYS 135 5.533 -16.775 3.934 1024 2HG LYS 135 2HG LYS 135 5.353 -18.501 4.256 1025 1HD LYS 135 1HD LYS 135 7.586 -18.707 4.402 1026 2HD LYS 135 2HD LYS 135 7.744 -18.145 2.737 1027 1HE LYS 135 1HE LYS 135 7.869 -15.849 3.439 1028 2HE LYS 135 2HE LYS 135 7.421 -16.269 5.092 1029 1HZ LYS 135 1HZ LYS 135 9.694 -17.739 4.183 1030 2HZ LYS 135 2HZ LYS 135 9.960 -16.061 4.109 1031 3HZ LYS 135 3HZ LYS 135 9.510 -16.791 5.577 1032 H LYS 136 H LYS 136 2.473 -17.120 4.100 1033 HA LYS 136 HA LYS 136 2.258 -19.892 5.146 1034 1HB LYS 136 1HB LYS 136 2.989 -17.998 6.644 1035 2HB LYS 136 2HB LYS 136 1.378 -17.303 6.453 1036 1HG LYS 136 1HG LYS 136 0.341 -19.205 7.479 1037 2HG LYS 136 2HG LYS 136 1.842 -20.129 7.430 1038 1HD LYS 136 1HD LYS 136 2.289 -17.628 8.796 1039 2HD LYS 136 2HD LYS 136 0.922 -18.469 9.528 1040 1HE LYS 136 1HE LYS 136 3.251 -19.055 10.441 1041 2HE LYS 136 2HE LYS 136 2.220 -20.409 9.980 1042 1HZ LYS 136 1HZ LYS 136 3.989 -19.253 7.953 1043 2HZ LYS 136 2HZ LYS 136 4.681 -20.238 9.148 1044 3HZ LYS 136 3HZ LYS 136 3.459 -20.857 8.142 1045 H ALA 137 H ALA 137 0.203 -17.121 4.238 1046 HA ALA 137 HA ALA 137 -2.325 -18.071 4.851 1047 1HB ALA 137 1HB ALA 137 -1.554 -15.935 3.512 1048 2HB ALA 137 2HB ALA 137 -1.871 -16.948 2.103 1049 3HB ALA 137 3HB ALA 137 -3.167 -16.600 3.248 1050 H MET 138 H MET 138 -0.146 -19.264 2.376 1051 HA MET 138 HA MET 138 -2.031 -20.781 0.857 1052 1HB MET 138 1HB MET 138 0.934 -20.935 1.311 1053 2HB MET 138 2HB MET 138 0.121 -22.252 0.463 1054 1HG MET 138 1HG MET 138 -0.974 -20.068 -0.772 1055 2HG MET 138 2HG MET 138 0.656 -19.488 -0.427 1056 1HE MET 138 1HE MET 138 -1.567 -22.171 -1.910 1057 2HE MET 138 2HE MET 138 -1.359 -20.895 -3.107 1058 3HE MET 138 3HE MET 138 -0.765 -22.518 -3.448 Start of MODEL 7 1 1H ALA 1 1H ALA 1 -23.209 2.757 10.301 2 2H ALA 1 2H ALA 1 -23.938 3.304 8.866 3 3H ALA 1 3H ALA 1 -24.811 2.323 9.941 4 HA ALA 1 HA ALA 1 -24.011 0.456 9.076 5 1HB ALA 1 1HB ALA 1 -24.256 2.175 7.074 6 2HB ALA 1 2HB ALA 1 -22.502 2.009 7.002 7 3HB ALA 1 3HB ALA 1 -23.531 0.590 6.805 8 H MET 2 H MET 2 -22.274 -0.955 9.291 9 HA MET 2 HA MET 2 -19.741 0.274 10.265 10 1HB MET 2 1HB MET 2 -19.266 -2.026 11.133 11 2HB MET 2 2HB MET 2 -20.752 -1.341 11.791 12 1HG MET 2 1HG MET 2 -21.178 -2.792 9.280 13 2HG MET 2 2HG MET 2 -20.539 -3.814 10.567 14 1HE MET 2 1HE MET 2 -21.997 -5.227 10.973 15 2HE MET 2 2HE MET 2 -23.506 -5.068 11.883 16 3HE MET 2 3HE MET 2 -23.519 -4.960 10.124 17 H THR 3 H THR 3 -20.524 0.027 7.391 18 HA THR 3 HA THR 3 -18.001 -1.117 6.445 19 HB THR 3 HB THR 3 -19.540 -2.515 4.738 20 HG1 THR 3 HG1 THR 3 -21.417 -3.016 5.556 21 1HG2 THR 3 1HG2 THR 3 -17.945 -3.067 7.050 22 2HG2 THR 3 2HG2 THR 3 -19.324 -4.167 7.047 23 3HG2 THR 3 3HG2 THR 3 -18.244 -4.102 5.655 24 H TYR 4 H TYR 4 -17.587 -0.530 4.233 25 HA TYR 4 HA TYR 4 -19.587 1.262 2.955 26 1HB TYR 4 1HB TYR 4 -17.770 2.915 2.493 27 2HB TYR 4 2HB TYR 4 -18.106 2.739 4.211 28 HD1 TYR 4 HD1 TYR 4 -16.700 0.839 5.433 29 HD2 TYR 4 HD2 TYR 4 -15.545 2.786 1.788 30 HE1 TYR 4 HE1 TYR 4 -14.341 0.228 5.864 31 HE2 TYR 4 HE2 TYR 4 -13.182 2.171 2.206 32 HH TYR 4 HH TYR 4 -11.983 0.301 3.542 33 H HIS 5 H HIS 5 -17.355 2.001 1.013 34 HA HIS 5 HA HIS 5 -16.989 -0.644 -0.290 35 1HB HIS 5 1HB HIS 5 -18.729 0.010 -1.649 36 2HB HIS 5 2HB HIS 5 -18.455 1.726 -1.343 37 HD1 HIS 5 HD1 HIS 5 -17.902 -0.827 -3.877 38 HD2 HIS 5 HD2 HIS 5 -15.937 2.632 -2.675 39 HE1 HIS 5 HE1 HIS 5 -16.286 -0.233 -5.736 40 H LEU 6 H LEU 6 -15.155 -0.742 -1.709 41 HA LEU 6 HA LEU 6 -13.228 1.443 -1.313 42 1HB LEU 6 1HB LEU 6 -13.018 -1.199 -0.569 43 2HB LEU 6 2HB LEU 6 -12.201 -1.171 -2.130 44 HG LEU 6 HG LEU 6 -10.533 -0.638 -0.562 45 1HD1 LEU 6 1HD1 LEU 6 -10.974 0.931 -2.583 46 2HD1 LEU 6 2HD1 LEU 6 -11.478 2.094 -1.361 47 3HD1 LEU 6 3HD1 LEU 6 -9.827 1.466 -1.350 48 1HD2 LEU 6 1HD2 LEU 6 -12.755 0.801 0.767 49 2HD2 LEU 6 2HD2 LEU 6 -11.409 -0.090 1.483 50 3HD2 LEU 6 3HD2 LEU 6 -11.167 1.558 0.901 51 H ASP 7 H ASP 7 -12.268 2.290 -3.159 52 HA ASP 7 HA ASP 7 -12.654 0.856 -5.729 53 1HB ASP 7 1HB ASP 7 -14.302 2.990 -4.979 54 2HB ASP 7 2HB ASP 7 -13.105 3.716 -6.052 55 H VAL 8 H VAL 8 -10.281 0.618 -5.117 56 HA VAL 8 HA VAL 8 -8.728 3.084 -5.749 57 HB VAL 8 HB VAL 8 -8.094 2.065 -3.640 58 1HG1 VAL 8 1HG1 VAL 8 -8.681 -0.349 -5.064 59 2HG1 VAL 8 2HG1 VAL 8 -7.020 -0.439 -4.481 60 3HG1 VAL 8 3HG1 VAL 8 -8.338 -0.151 -3.345 61 1HG2 VAL 8 1HG2 VAL 8 -6.317 2.177 -5.942 62 2HG2 VAL 8 2HG2 VAL 8 -6.010 2.663 -4.274 63 3HG2 VAL 8 3HG2 VAL 8 -5.765 0.987 -4.764 64 H VAL 9 H VAL 9 -7.348 3.098 -7.525 65 HA VAL 9 HA VAL 9 -7.025 0.571 -9.058 66 HB VAL 9 HB VAL 9 -7.772 1.525 -11.108 67 1HG1 VAL 9 1HG1 VAL 9 -9.475 1.185 -8.998 68 2HG1 VAL 9 2HG1 VAL 9 -9.836 2.849 -9.457 69 3HG1 VAL 9 3HG1 VAL 9 -10.001 1.553 -10.641 70 1HG2 VAL 9 1HG2 VAL 9 -7.552 4.121 -9.594 71 2HG2 VAL 9 2HG2 VAL 9 -6.870 3.695 -11.164 72 3HG2 VAL 9 3HG2 VAL 9 -8.598 4.007 -11.008 73 H SER 10 H SER 10 -5.092 0.525 -10.299 74 HA SER 10 HA SER 10 -3.375 2.947 -10.223 75 1HB SER 10 1HB SER 10 -1.483 1.195 -9.582 76 2HB SER 10 2HB SER 10 -2.444 1.984 -8.335 77 HG SER 10 HG SER 10 -2.849 -0.577 -9.494 78 H ALA 11 H ALA 11 -4.694 1.839 -12.460 79 HA ALA 11 HA ALA 11 -2.649 1.668 -14.372 80 1HB ALA 11 1HB ALA 11 -3.433 -0.990 -13.190 81 2HB ALA 11 2HB ALA 11 -2.901 -0.878 -14.867 82 3HB ALA 11 3HB ALA 11 -1.821 -0.381 -13.564 83 H GLU 12 H GLU 12 -5.150 -0.813 -14.359 84 HA GLU 12 HA GLU 12 -6.760 0.889 -16.216 85 1HB GLU 12 1HB GLU 12 -5.701 -1.884 -16.572 86 2HB GLU 12 2HB GLU 12 -7.299 -1.522 -17.223 87 1HG GLU 12 1HG GLU 12 -6.456 -0.218 -18.877 88 2HG GLU 12 2HG GLU 12 -5.297 0.553 -17.793 89 H GLN 13 H GLN 13 -7.300 0.695 -13.475 90 HA GLN 13 HA GLN 13 -9.179 0.336 -12.107 91 1HB GLN 13 1HB GLN 13 -10.275 0.458 -14.559 92 2HB GLN 13 2HB GLN 13 -10.600 -1.238 -14.203 93 1HG GLN 13 1HG GLN 13 -11.297 -0.048 -11.836 94 2HG GLN 13 2HG GLN 13 -11.768 1.188 -13.003 95 1HE2 GLN 13 2HE2 GLN 13 -13.654 0.805 -14.243 96 2HE2 GLN 13 1HE2 GLN 13 -14.542 -0.641 -14.189 97 H GLN 14 H GLN 14 -7.259 -1.267 -11.449 98 HA GLN 14 HA GLN 14 -8.563 -3.903 -11.079 99 1HB GLN 14 1HB GLN 14 -6.741 -3.693 -13.063 100 2HB GLN 14 2HB GLN 14 -5.658 -4.001 -11.706 101 1HG GLN 14 1HG GLN 14 -6.876 -6.028 -11.132 102 2HG GLN 14 2HG GLN 14 -8.081 -5.696 -12.376 103 1HE2 GLN 14 2HE2 GLN 14 -4.552 -6.304 -11.994 104 2HE2 GLN 14 1HE2 GLN 14 -4.362 -7.032 -13.515 105 H MET 15 H MET 15 -8.761 -3.600 -8.864 106 HA MET 15 HA MET 15 -6.465 -4.064 -7.217 107 1HB MET 15 1HB MET 15 -6.836 -1.344 -7.950 108 2HB MET 15 2HB MET 15 -7.320 -1.491 -6.259 109 1HG MET 15 1HG MET 15 -5.198 -2.501 -5.674 110 2HG MET 15 2HG MET 15 -4.722 -2.591 -7.369 111 1HE MET 15 1HE MET 15 -2.713 -1.795 -6.122 112 2HE MET 15 2HE MET 15 -2.233 -0.100 -6.109 113 3HE MET 15 3HE MET 15 -3.073 -0.780 -4.718 114 H PHE 16 H PHE 16 -9.203 -1.886 -6.502 115 HA PHE 16 HA PHE 16 -10.605 -4.106 -5.142 116 1HB PHE 16 1HB PHE 16 -9.018 -3.101 -3.456 117 2HB PHE 16 2HB PHE 16 -9.885 -1.577 -3.635 118 HD1 PHE 16 HD1 PHE 16 -12.286 -4.032 -4.191 119 HD2 PHE 16 HD2 PHE 16 -9.990 -2.325 -0.982 120 HE1 PHE 16 HE1 PHE 16 -13.976 -4.810 -2.562 121 HE2 PHE 16 HE2 PHE 16 -11.683 -3.098 0.633 122 HZ PHE 16 HZ PHE 16 -13.672 -4.345 -0.150 123 H SER 17 H SER 17 -12.568 -3.904 -6.110 124 HA SER 17 HA SER 17 -13.894 -1.252 -5.940 125 1HB SER 17 1HB SER 17 -14.646 -1.314 -8.197 126 2HB SER 17 2HB SER 17 -12.935 -1.730 -8.279 127 HG SER 17 HG SER 17 -14.996 -3.144 -9.122 128 H GLY 18 H GLY 18 -15.014 -2.266 -4.125 129 1HA GLY 18 1HA GLY 18 -17.534 -3.407 -4.825 130 2HA GLY 18 2HA GLY 18 -16.467 -4.701 -4.275 131 H LEU 19 H LEU 19 -17.801 -5.010 -2.379 132 HA LEU 19 HA LEU 19 -18.181 -2.798 -0.507 133 1HB LEU 19 1HB LEU 19 -18.576 -5.772 -0.069 134 2HB LEU 19 2HB LEU 19 -19.224 -4.469 0.929 135 HG LEU 19 HG LEU 19 -19.943 -5.141 -1.932 136 1HD1 LEU 19 1HD1 LEU 19 -21.085 -6.333 -0.028 137 2HD1 LEU 19 2HD1 LEU 19 -21.663 -4.765 0.535 138 3HD1 LEU 19 3HD1 LEU 19 -22.177 -5.383 -1.034 139 1HD2 LEU 19 1HD2 LEU 19 -19.627 -2.689 -1.678 140 2HD2 LEU 19 2HD2 LEU 19 -21.323 -3.105 -1.922 141 3HD2 LEU 19 3HD2 LEU 19 -20.738 -2.701 -0.308 142 H VAL 20 H VAL 20 -17.197 -2.661 1.590 143 HA VAL 20 HA VAL 20 -14.894 -4.404 2.157 144 HB VAL 20 HB VAL 20 -13.486 -2.960 1.115 145 1HG1 VAL 20 1HG1 VAL 20 -15.761 -1.015 1.311 146 2HG1 VAL 20 2HG1 VAL 20 -14.157 -0.468 0.821 147 3HG1 VAL 20 3HG1 VAL 20 -14.998 -1.693 -0.127 148 1HG2 VAL 20 1HG2 VAL 20 -13.147 -2.528 3.600 149 2HG2 VAL 20 2HG2 VAL 20 -12.560 -1.263 2.519 150 3HG2 VAL 20 3HG2 VAL 20 -14.090 -1.048 3.384 151 H GLU 21 H GLU 21 -14.201 -4.231 4.362 152 HA GLU 21 HA GLU 21 -16.198 -2.850 6.100 153 1HB GLU 21 1HB GLU 21 -16.031 -5.369 6.274 154 2HB GLU 21 2HB GLU 21 -14.379 -5.155 6.853 155 1HG GLU 21 1HG GLU 21 -15.599 -3.443 8.512 156 2HG GLU 21 2HG GLU 21 -16.957 -4.527 8.211 157 H LYS 22 H LYS 22 -12.729 -3.746 5.944 158 HA LYS 22 HA LYS 22 -12.050 -1.061 6.940 159 1HB LYS 22 1HB LYS 22 -10.587 -2.181 8.771 160 2HB LYS 22 2HB LYS 22 -12.315 -2.010 9.081 161 1HG LYS 22 1HG LYS 22 -12.689 -4.255 8.979 162 2HG LYS 22 2HG LYS 22 -11.548 -4.482 7.653 163 1HD LYS 22 1HD LYS 22 -9.717 -4.682 9.080 164 2HD LYS 22 2HD LYS 22 -10.505 -3.787 10.380 165 1HE LYS 22 1HE LYS 22 -12.176 -5.763 10.458 166 2HE LYS 22 2HE LYS 22 -10.967 -6.641 9.519 167 1HZ LYS 22 1HZ LYS 22 -9.707 -5.305 11.653 168 2HZ LYS 22 2HZ LYS 22 -11.006 -6.213 12.266 169 3HZ LYS 22 3HZ LYS 22 -9.798 -6.975 11.351 170 H ILE 23 H ILE 23 -10.158 -0.426 5.995 171 HA ILE 23 HA ILE 23 -8.554 -2.508 4.590 172 HB ILE 23 HB ILE 23 -7.661 -0.734 3.252 173 1HG1 ILE 23 1HG1 ILE 23 -8.990 1.572 4.348 174 2HG1 ILE 23 2HG1 ILE 23 -8.029 0.801 5.603 175 1HG2 ILE 23 1HG2 ILE 23 -10.553 -0.888 3.718 176 2HG2 ILE 23 2HG2 ILE 23 -10.047 0.638 2.993 177 3HG2 ILE 23 3HG2 ILE 23 -9.659 -0.889 2.198 178 1HD1 ILE 23 1HD1 ILE 23 -6.732 1.037 2.949 179 2HD1 ILE 23 2HD1 ILE 23 -6.989 2.549 3.818 180 3HD1 ILE 23 3HD1 ILE 23 -6.047 1.255 4.558 181 H GLN 24 H GLN 24 -6.155 -0.759 4.599 182 HA GLN 24 HA GLN 24 -5.357 -0.075 7.241 183 1HB GLN 24 1HB GLN 24 -5.703 -2.736 7.203 184 2HB GLN 24 2HB GLN 24 -4.058 -2.674 6.570 185 1HG GLN 24 1HG GLN 24 -3.308 -2.402 8.674 186 2HG GLN 24 2HG GLN 24 -4.138 -0.845 8.724 187 1HE2 GLN 24 2HE2 GLN 24 -4.209 -4.120 9.905 188 2HE2 GLN 24 1HE2 GLN 24 -5.646 -3.983 10.798 189 H VAL 25 H VAL 25 -4.247 1.578 6.127 190 HA VAL 25 HA VAL 25 -2.144 0.726 4.204 191 HB VAL 25 HB VAL 25 -3.013 3.537 4.923 192 1HG1 VAL 25 1HG1 VAL 25 -1.104 2.304 3.004 193 2HG1 VAL 25 2HG1 VAL 25 -2.064 3.657 2.404 194 3HG1 VAL 25 3HG1 VAL 25 -1.030 3.868 3.818 195 1HG2 VAL 25 1HG2 VAL 25 -4.248 1.478 3.221 196 2HG2 VAL 25 2HG2 VAL 25 -4.937 2.975 3.849 197 3HG2 VAL 25 3HG2 VAL 25 -3.954 3.003 2.385 198 H THR 26 H THR 26 -0.010 0.839 4.737 199 HA THR 26 HA THR 26 0.686 2.138 7.340 200 HB THR 26 HB THR 26 1.726 -0.442 6.140 201 HG1 THR 26 HG1 THR 26 0.105 0.309 8.277 202 1HG2 THR 26 1HG2 THR 26 3.583 0.902 7.062 203 2HG2 THR 26 2HG2 THR 26 2.702 1.067 8.581 204 3HG2 THR 26 3HG2 THR 26 3.265 -0.520 8.057 205 H GLY 27 H GLY 27 1.841 3.930 6.849 206 1HA GLY 27 1HA GLY 27 4.244 3.676 5.182 207 2HA GLY 27 2HA GLY 27 3.009 4.751 4.522 208 H SER 28 H SER 28 5.586 5.662 5.346 209 HA SER 28 HA SER 28 5.637 6.728 7.991 210 1HB SER 28 1HB SER 28 7.036 8.581 6.536 211 2HB SER 28 2HB SER 28 7.707 7.058 7.112 212 HG SER 28 HG SER 28 7.062 7.867 4.575 213 H GLU 29 H GLU 29 4.101 7.865 5.034 214 HA GLU 29 HA GLU 29 3.267 10.367 6.410 215 1HB GLU 29 1HB GLU 29 4.036 9.862 3.793 216 2HB GLU 29 2HB GLU 29 2.277 9.940 3.683 217 1HG GLU 29 1HG GLU 29 2.273 12.115 4.811 218 2HG GLU 29 2HG GLU 29 4.025 12.038 5.003 219 H GLY 30 H GLY 30 1.908 8.862 7.840 220 1HA GLY 30 1HA GLY 30 -0.578 8.933 8.156 221 2HA GLY 30 2HA GLY 30 -0.717 8.351 6.495 222 H GLU 31 H GLU 31 -1.755 7.067 8.924 223 HA GLU 31 HA GLU 31 -0.579 4.403 8.462 224 1HB GLU 31 1HB GLU 31 0.054 5.996 10.792 225 2HB GLU 31 2HB GLU 31 -0.827 4.547 11.269 226 1HG GLU 31 1HG GLU 31 1.187 4.000 9.221 227 2HG GLU 31 2HG GLU 31 1.888 4.673 10.694 228 H LEU 32 H LEU 32 -3.205 5.856 8.107 229 HA LEU 32 HA LEU 32 -4.895 4.105 9.851 230 1HB LEU 32 1HB LEU 32 -5.378 6.811 8.623 231 2HB LEU 32 2HB LEU 32 -6.749 5.766 9.025 232 HG LEU 32 HG LEU 32 -4.819 5.830 11.196 233 1HD1 LEU 32 1HD1 LEU 32 -5.149 8.302 9.814 234 2HD1 LEU 32 2HD1 LEU 32 -6.037 8.419 11.333 235 3HD1 LEU 32 3HD1 LEU 32 -4.320 8.017 11.344 236 1HD2 LEU 32 1HD2 LEU 32 -7.732 6.185 10.705 237 2HD2 LEU 32 2HD2 LEU 32 -6.908 5.185 11.900 238 3HD2 LEU 32 3HD2 LEU 32 -7.092 6.917 12.176 239 H GLY 33 H GLY 33 -6.762 3.115 8.826 240 1HA GLY 33 1HA GLY 33 -6.226 2.476 5.969 241 2HA GLY 33 2HA GLY 33 -7.199 1.496 7.071 242 H ILE 34 H ILE 34 -9.340 1.619 6.596 243 HA ILE 34 HA ILE 34 -10.580 4.250 6.212 244 HB ILE 34 HB ILE 34 -10.704 2.144 4.030 245 1HG1 ILE 34 1HG1 ILE 34 -8.691 3.671 4.077 246 2HG1 ILE 34 2HG1 ILE 34 -9.693 3.855 2.637 247 1HG2 ILE 34 1HG2 ILE 34 -12.891 3.291 4.574 248 2HG2 ILE 34 2HG2 ILE 34 -12.111 4.823 4.188 249 3HG2 ILE 34 3HG2 ILE 34 -12.300 3.594 2.942 250 1HD1 ILE 34 1HD1 ILE 34 -10.899 5.732 3.850 251 2HD1 ILE 34 2HD1 ILE 34 -9.636 5.639 5.081 252 3HD1 ILE 34 3HD1 ILE 34 -9.221 6.072 3.422 253 H TYR 35 H TYR 35 -12.620 4.225 7.013 254 HA TYR 35 HA TYR 35 -13.985 1.612 7.374 255 1HB TYR 35 1HB TYR 35 -13.991 3.556 9.650 256 2HB TYR 35 2HB TYR 35 -14.154 1.804 9.682 257 HD1 TYR 35 HD1 TYR 35 -11.647 4.529 9.015 258 HD2 TYR 35 HD2 TYR 35 -12.312 0.421 10.106 259 HE1 TYR 35 HE1 TYR 35 -9.237 4.267 9.509 260 HE2 TYR 35 HE2 TYR 35 -9.895 0.166 10.597 261 HH TYR 35 HH TYR 35 -7.719 1.369 9.786 262 HA PRO 36 HA PRO 36 -17.623 3.974 6.615 263 1HB PRO 36 1HB PRO 36 -19.355 3.516 8.702 264 2HB PRO 36 2HB PRO 36 -18.975 2.314 7.457 265 1HG PRO 36 1HG PRO 36 -18.071 2.424 10.291 266 2HG PRO 36 2HG PRO 36 -18.223 1.026 9.215 267 1HD PRO 36 1HD PRO 36 -15.827 2.375 9.894 268 2HD PRO 36 2HD PRO 36 -16.013 1.151 8.619 269 H GLY 37 H GLY 37 -16.261 5.993 7.029 270 1HA GLY 37 1HA GLY 37 -17.162 8.246 7.777 271 2HA GLY 37 2HA GLY 37 -17.325 7.515 9.375 272 H HIS 38 H HIS 38 -14.604 7.045 7.133 273 HA HIS 38 HA HIS 38 -12.679 7.561 9.213 274 1HB HIS 38 1HB HIS 38 -12.251 6.137 7.191 275 2HB HIS 38 2HB HIS 38 -12.235 7.606 6.213 276 HD1 HIS 38 HD1 HIS 38 -9.869 8.217 5.739 277 HD2 HIS 38 HD2 HIS 38 -10.329 6.803 9.633 278 HE1 HIS 38 HE1 HIS 38 -7.596 8.401 6.841 279 H ALA 39 H ALA 39 -10.978 9.328 8.977 280 HA ALA 39 HA ALA 39 -12.132 11.891 9.145 281 1HB ALA 39 1HB ALA 39 -9.609 10.852 9.524 282 2HB ALA 39 2HB ALA 39 -9.374 11.886 8.114 283 3HB ALA 39 3HB ALA 39 -10.012 12.566 9.610 284 HA PRO 40 HA PRO 40 -12.703 13.183 4.992 285 1HB PRO 40 1HB PRO 40 -12.250 15.882 5.261 286 2HB PRO 40 2HB PRO 40 -13.714 15.072 5.845 287 1HG PRO 40 1HG PRO 40 -11.391 16.102 7.406 288 2HG PRO 40 2HG PRO 40 -13.074 15.879 7.912 289 1HD PRO 40 1HD PRO 40 -10.914 14.156 8.532 290 2HD PRO 40 2HD PRO 40 -12.639 13.786 8.741 291 H LEU 41 H LEU 41 -10.616 12.021 4.358 292 HA LEU 41 HA LEU 41 -8.315 13.859 3.943 293 1HB LEU 41 1HB LEU 41 -8.688 10.888 3.957 294 2HB LEU 41 2HB LEU 41 -7.380 11.557 2.982 295 HG LEU 41 HG LEU 41 -6.717 10.973 5.350 296 1HD1 LEU 41 1HD1 LEU 41 -5.578 12.726 3.908 297 2HD1 LEU 41 2HD1 LEU 41 -6.543 13.938 4.752 298 3HD1 LEU 41 3HD1 LEU 41 -5.385 12.953 5.647 299 1HD2 LEU 41 1HD2 LEU 41 -9.016 11.868 6.196 300 2HD2 LEU 41 2HD2 LEU 41 -7.584 12.175 7.180 301 3HD2 LEU 41 3HD2 LEU 41 -8.238 13.450 6.151 302 H LEU 42 H LEU 42 -7.503 14.258 1.816 303 HA LEU 42 HA LEU 42 -8.891 13.120 -0.502 304 1HB LEU 42 1HB LEU 42 -9.502 15.463 -1.337 305 2HB LEU 42 2HB LEU 42 -10.507 14.814 -0.040 306 HG LEU 42 HG LEU 42 -8.168 16.207 1.001 307 1HD1 LEU 42 1HD1 LEU 42 -9.643 17.438 -1.203 308 2HD1 LEU 42 2HD1 LEU 42 -9.705 18.407 0.270 309 3HD1 LEU 42 3HD1 LEU 42 -8.148 17.959 -0.427 310 1HD2 LEU 42 1HD2 LEU 42 -10.177 15.576 2.303 311 2HD2 LEU 42 2HD2 LEU 42 -9.914 17.318 2.347 312 3HD2 LEU 42 3HD2 LEU 42 -11.159 16.641 1.297 313 H THR 43 H THR 43 -6.129 13.328 0.533 314 HA THR 43 HA THR 43 -4.931 14.692 -1.842 315 HB THR 43 HB THR 43 -3.134 15.557 -0.501 316 HG1 THR 43 HG1 THR 43 -3.438 15.098 1.893 317 1HG2 THR 43 1HG2 THR 43 -5.925 16.043 0.346 318 2HG2 THR 43 2HG2 THR 43 -4.691 16.585 1.482 319 3HG2 THR 43 3HG2 THR 43 -4.689 17.188 -0.175 320 H ALA 44 H ALA 44 -2.245 13.821 -0.730 321 HA ALA 44 HA ALA 44 -2.442 11.006 -1.678 322 1HB ALA 44 1HB ALA 44 -0.369 13.119 -1.765 323 2HB ALA 44 2HB ALA 44 0.233 11.492 -1.445 324 3HB ALA 44 3HB ALA 44 -0.695 11.817 -2.909 325 H ILE 45 H ILE 45 -2.206 9.357 -0.217 326 HA ILE 45 HA ILE 45 -0.562 9.711 2.178 327 HB ILE 45 HB ILE 45 -2.587 9.065 3.660 328 1HG1 ILE 45 1HG1 ILE 45 -4.484 10.562 2.164 329 2HG1 ILE 45 2HG1 ILE 45 -3.831 9.339 1.075 330 1HG2 ILE 45 1HG2 ILE 45 -1.338 11.342 3.401 331 2HG2 ILE 45 2HG2 ILE 45 -2.775 11.841 2.508 332 3HG2 ILE 45 3HG2 ILE 45 -2.915 11.331 4.189 333 1HD1 ILE 45 1HD1 ILE 45 -4.904 8.771 3.853 334 2HD1 ILE 45 2HD1 ILE 45 -5.804 8.516 2.358 335 3HD1 ILE 45 3HD1 ILE 45 -4.347 7.576 2.682 336 H LYS 46 H LYS 46 -0.396 7.850 0.032 337 HA LYS 46 HA LYS 46 -1.018 5.343 1.533 338 1HB LYS 46 1HB LYS 46 -1.951 6.151 -1.092 339 2HB LYS 46 2HB LYS 46 -1.013 4.660 -1.188 340 1HG LYS 46 1HG LYS 46 -2.413 3.577 0.437 341 2HG LYS 46 2HG LYS 46 -3.226 5.092 0.831 342 1HD LYS 46 1HD LYS 46 -4.683 4.835 -0.867 343 2HD LYS 46 2HD LYS 46 -3.376 4.550 -2.016 344 1HE LYS 46 1HE LYS 46 -4.015 2.392 -2.098 345 2HE LYS 46 2HE LYS 46 -3.484 2.234 -0.424 346 1HZ LYS 46 1HZ LYS 46 -6.165 3.240 -1.185 347 2HZ LYS 46 2HZ LYS 46 -5.849 1.605 -0.862 348 3HZ LYS 46 3HZ LYS 46 -5.631 2.769 0.357 349 HA PRO 47 HA PRO 47 3.392 5.552 -0.175 350 1HB PRO 47 1HB PRO 47 4.741 6.437 2.043 351 2HB PRO 47 2HB PRO 47 4.130 7.524 0.784 352 1HG PRO 47 1HG PRO 47 3.063 7.044 3.528 353 2HG PRO 47 2HG PRO 47 2.931 8.485 2.508 354 1HD PRO 47 1HD PRO 47 0.901 6.554 2.912 355 2HD PRO 47 2HD PRO 47 0.932 7.812 1.660 356 H GLY 48 H GLY 48 2.723 3.167 0.164 357 1HA GLY 48 1HA GLY 48 4.538 1.664 1.560 358 2HA GLY 48 2HA GLY 48 3.331 2.020 2.795 359 H MET 49 H MET 49 2.438 -0.015 3.028 360 HA MET 49 HA MET 49 1.328 -1.296 0.562 361 1HB MET 49 1HB MET 49 1.162 -3.329 2.145 362 2HB MET 49 2HB MET 49 2.776 -2.847 1.622 363 1HG MET 49 1HG MET 49 3.395 -2.209 3.714 364 2HG MET 49 2HG MET 49 1.829 -1.472 4.053 365 1HE MET 49 1HE MET 49 -0.155 -2.563 4.198 366 2HE MET 49 2HE MET 49 -0.350 -4.272 3.815 367 3HE MET 49 3HE MET 49 -0.382 -3.743 5.496 368 H ILE 50 H ILE 50 -0.714 -2.747 1.325 369 HA ILE 50 HA ILE 50 -2.376 -1.245 3.253 370 HB ILE 50 HB ILE 50 -2.857 -0.078 1.196 371 1HG1 ILE 50 1HG1 ILE 50 -4.963 -2.140 1.909 372 2HG1 ILE 50 2HG1 ILE 50 -4.838 -0.487 2.514 373 1HG2 ILE 50 1HG2 ILE 50 -1.960 -2.005 -0.227 374 2HG2 ILE 50 2HG2 ILE 50 -3.554 -2.741 -0.056 375 3HG2 ILE 50 3HG2 ILE 50 -3.385 -1.179 -0.855 376 1HD1 ILE 50 1HD1 ILE 50 -4.877 -0.064 -0.188 377 2HD1 ILE 50 2HD1 ILE 50 -5.922 -1.478 -0.047 378 3HD1 ILE 50 3HD1 ILE 50 -6.307 -0.004 0.844 379 H ARG 51 H ARG 51 -4.247 -2.441 3.937 380 HA ARG 51 HA ARG 51 -4.529 -5.223 2.948 381 1HB ARG 51 1HB ARG 51 -2.913 -5.016 5.009 382 2HB ARG 51 2HB ARG 51 -4.400 -4.749 5.921 383 1HG ARG 51 1HG ARG 51 -4.725 -6.973 4.097 384 2HG ARG 51 2HG ARG 51 -3.321 -7.230 5.134 385 1HD ARG 51 1HD ARG 51 -4.766 -6.653 7.112 386 2HD ARG 51 2HD ARG 51 -6.153 -6.623 6.024 387 HE ARG 51 HE ARG 51 -5.135 -9.091 5.512 388 1HH1 ARG 51 1HH1 ARG 51 -6.952 -7.686 7.927 389 2HH1 ARG 51 2HH1 ARG 51 -6.737 -8.957 9.086 390 1HH2 ARG 51 1HH2 ARG 51 -4.323 -10.608 7.224 391 2HH2 ARG 51 2HH2 ARG 51 -5.250 -10.613 8.687 392 H ILE 52 H ILE 52 -6.675 -6.081 3.471 393 HA ILE 52 HA ILE 52 -8.521 -4.255 4.879 394 HB ILE 52 HB ILE 52 -9.230 -5.141 2.101 395 1HG1 ILE 52 1HG1 ILE 52 -7.931 -2.514 2.843 396 2HG1 ILE 52 2HG1 ILE 52 -7.112 -3.830 2.008 397 1HG2 ILE 52 1HG2 ILE 52 -10.206 -2.975 3.964 398 2HG2 ILE 52 2HG2 ILE 52 -10.700 -3.100 2.277 399 3HG2 ILE 52 3HG2 ILE 52 -11.096 -4.392 3.410 400 1HD1 ILE 52 1HD1 ILE 52 -9.680 -3.074 0.792 401 2HD1 ILE 52 2HD1 ILE 52 -8.470 -1.790 0.760 402 3HD1 ILE 52 3HD1 ILE 52 -8.113 -3.356 0.031 403 H VAL 53 H VAL 53 -10.731 -5.247 5.061 404 HA VAL 53 HA VAL 53 -10.730 -8.194 4.795 405 HB VAL 53 HB VAL 53 -11.327 -6.657 7.340 406 1HG1 VAL 53 1HG1 VAL 53 -11.558 -9.592 6.640 407 2HG1 VAL 53 2HG1 VAL 53 -11.675 -8.949 8.278 408 3HG1 VAL 53 3HG1 VAL 53 -12.875 -8.501 7.067 409 1HG2 VAL 53 1HG2 VAL 53 -8.920 -6.961 6.868 410 2HG2 VAL 53 2HG2 VAL 53 -9.426 -7.942 8.242 411 3HG2 VAL 53 3HG2 VAL 53 -9.179 -8.694 6.666 412 H LYS 54 H LYS 54 -12.553 -8.660 3.715 413 HA LYS 54 HA LYS 54 -15.152 -8.448 4.335 414 1HB LYS 54 1HB LYS 54 -15.164 -6.095 4.758 415 2HB LYS 54 2HB LYS 54 -14.295 -5.751 3.262 416 1HG LYS 54 1HG LYS 54 -16.220 -5.694 2.080 417 2HG LYS 54 2HG LYS 54 -16.726 -7.251 2.732 418 1HD LYS 54 1HD LYS 54 -16.866 -4.961 4.612 419 2HD LYS 54 2HD LYS 54 -18.018 -4.934 3.277 420 1HE LYS 54 1HE LYS 54 -17.598 -7.318 5.100 421 2HE LYS 54 2HE LYS 54 -18.880 -6.125 5.314 422 1HZ LYS 54 1HZ LYS 54 -18.634 -7.261 2.654 423 2HZ LYS 54 2HZ LYS 54 -19.159 -8.333 3.863 424 3HZ LYS 54 3HZ LYS 54 -20.026 -6.907 3.561 425 H GLN 55 H GLN 55 -14.616 -6.545 1.456 426 HA GLN 55 HA GLN 55 -15.118 -7.144 -0.774 427 1HB GLN 55 1HB GLN 55 -13.223 -9.405 -0.067 428 2HB GLN 55 2HB GLN 55 -13.532 -8.754 -1.677 429 1HG GLN 55 1HG GLN 55 -11.712 -7.457 -1.254 430 2HG GLN 55 2HG GLN 55 -12.843 -6.485 -0.311 431 1HE2 GLN 55 2HE2 GLN 55 -11.732 -5.938 1.586 432 2HE2 GLN 55 1HE2 GLN 55 -10.898 -7.045 2.567 433 H HIS 56 H HIS 56 -14.926 -9.993 -1.708 434 HA HIS 56 HA HIS 56 -17.566 -10.883 -0.629 435 1HB HIS 56 1HB HIS 56 -17.022 -10.329 -3.201 436 2HB HIS 56 2HB HIS 56 -16.489 -12.010 -3.170 437 HD1 HIS 56 HD1 HIS 56 -19.530 -9.874 -3.026 438 HD2 HIS 56 HD2 HIS 56 -18.584 -13.902 -2.529 439 HE1 HIS 56 HE1 HIS 56 -21.726 -11.135 -3.065 440 H GLY 57 H GLY 57 -14.257 -11.614 -0.680 441 1HA GLY 57 1HA GLY 57 -14.788 -14.503 -0.140 442 2HA GLY 57 2HA GLY 57 -13.224 -13.846 -0.622 443 H HIS 58 H HIS 58 -11.850 -13.040 0.966 444 HA HIS 58 HA HIS 58 -12.917 -12.999 3.758 445 1HB HIS 58 1HB HIS 58 -10.128 -13.950 3.114 446 2HB HIS 58 2HB HIS 58 -11.071 -14.216 4.580 447 HD1 HIS 58 HD1 HIS 58 -12.088 -16.478 4.721 448 HD2 HIS 58 HD2 HIS 58 -11.557 -15.296 0.760 449 HE1 HIS 58 HE1 HIS 58 -12.864 -18.414 3.286 450 H GLU 59 H GLU 59 -9.816 -12.275 2.111 451 HA GLU 59 HA GLU 59 -10.096 -9.438 2.898 452 1HB GLU 59 1HB GLU 59 -7.756 -9.495 3.883 453 2HB GLU 59 2HB GLU 59 -8.989 -10.306 4.849 454 1HG GLU 59 1HG GLU 59 -8.154 -12.336 3.200 455 2HG GLU 59 2HG GLU 59 -6.656 -11.439 3.450 456 H GLU 60 H GLU 60 -8.264 -8.131 1.916 457 HA GLU 60 HA GLU 60 -7.168 -9.485 -0.511 458 1HB GLU 60 1HB GLU 60 -8.911 -7.119 -0.306 459 2HB GLU 60 2HB GLU 60 -7.483 -6.875 -1.313 460 1HG GLU 60 1HG GLU 60 -8.304 -9.368 -2.116 461 2HG GLU 60 2HG GLU 60 -9.845 -8.573 -1.787 462 H PHE 61 H PHE 61 -5.065 -8.873 -1.068 463 HA PHE 61 HA PHE 61 -3.720 -7.017 0.857 464 1HB PHE 61 1HB PHE 61 -3.066 -9.710 -0.047 465 2HB PHE 61 2HB PHE 61 -1.741 -8.582 -0.340 466 HD1 PHE 61 HD1 PHE 61 -3.890 -10.121 2.237 467 HD2 PHE 61 HD2 PHE 61 -0.594 -7.476 1.480 468 HE1 PHE 61 HE1 PHE 61 -3.296 -10.175 4.644 469 HE2 PHE 61 HE2 PHE 61 0.006 -7.531 3.886 470 HZ PHE 61 HZ PHE 61 -1.349 -8.878 5.469 471 H ILE 62 H ILE 62 -2.963 -5.180 -0.088 472 HA ILE 62 HA ILE 62 -2.070 -5.325 -2.924 473 HB ILE 62 HB ILE 62 -3.536 -2.871 -2.051 474 1HG1 ILE 62 1HG1 ILE 62 -4.899 -5.439 -2.931 475 2HG1 ILE 62 2HG1 ILE 62 -5.015 -4.720 -1.323 476 1HG2 ILE 62 1HG2 ILE 62 -2.336 -3.652 -4.362 477 2HG2 ILE 62 2HG2 ILE 62 -3.988 -4.193 -4.661 478 3HG2 ILE 62 3HG2 ILE 62 -3.667 -2.498 -4.298 479 1HD1 ILE 62 1HD1 ILE 62 -5.620 -2.745 -3.351 480 2HD1 ILE 62 2HD1 ILE 62 -6.650 -4.162 -3.548 481 3HD1 ILE 62 3HD1 ILE 62 -6.622 -3.300 -2.011 482 H TYR 63 H TYR 63 -1.468 -2.539 -3.122 483 HA TYR 63 HA TYR 63 0.042 -1.592 -0.875 484 1HB TYR 63 1HB TYR 63 1.725 -3.145 -1.065 485 2HB TYR 63 2HB TYR 63 1.373 -3.473 -2.757 486 HD1 TYR 63 HD1 TYR 63 2.002 -1.641 -4.478 487 HD2 TYR 63 HD2 TYR 63 3.545 -1.772 -0.469 488 HE1 TYR 63 HE1 TYR 63 3.890 -0.186 -5.160 489 HE2 TYR 63 HE2 TYR 63 5.433 -0.311 -1.152 490 HH TYR 63 HH TYR 63 5.789 0.772 -4.533 491 H LEU 64 H LEU 64 0.392 0.561 -1.224 492 HA LEU 64 HA LEU 64 0.320 1.519 -4.056 493 1HB LEU 64 1HB LEU 64 -1.037 2.489 -1.581 494 2HB LEU 64 2HB LEU 64 -0.466 3.708 -2.721 495 HG LEU 64 HG LEU 64 -2.759 3.096 -3.279 496 1HD1 LEU 64 1HD1 LEU 64 -0.615 3.091 -5.027 497 2HD1 LEU 64 2HD1 LEU 64 -1.454 1.594 -5.434 498 3HD1 LEU 64 3HD1 LEU 64 -2.314 3.132 -5.501 499 1HD2 LEU 64 1HD2 LEU 64 -2.593 0.801 -2.223 500 2HD2 LEU 64 2HD2 LEU 64 -3.404 0.826 -3.788 501 3HD2 LEU 64 3HD2 LEU 64 -1.734 0.272 -3.669 502 H SER 65 H SER 65 1.617 3.483 -4.446 503 HA SER 65 HA SER 65 4.035 3.508 -2.713 504 1HB SER 65 1HB SER 65 5.180 4.499 -4.584 505 2HB SER 65 2HB SER 65 4.217 3.168 -5.220 506 HG SER 65 HG SER 65 4.138 5.414 -6.232 507 H GLY 66 H GLY 66 1.270 5.393 -3.551 508 1HA GLY 66 1HA GLY 66 1.255 7.235 -1.575 509 2HA GLY 66 2HA GLY 66 2.474 7.928 -2.646 510 H GLY 67 H GLY 67 -0.544 6.200 -3.417 511 1HA GLY 67 1HA GLY 67 -1.206 8.110 -5.492 512 2HA GLY 67 2HA GLY 67 -2.247 6.804 -4.924 513 H ILE 68 H ILE 68 -3.715 8.892 -5.341 514 HA ILE 68 HA ILE 68 -3.817 10.520 -2.846 515 HB ILE 68 HB ILE 68 -5.235 10.897 -5.503 516 1HG1 ILE 68 1HG1 ILE 68 -3.498 13.043 -4.870 517 2HG1 ILE 68 2HG1 ILE 68 -2.583 11.563 -4.577 518 1HG2 ILE 68 1HG2 ILE 68 -6.244 11.759 -3.217 519 2HG2 ILE 68 2HG2 ILE 68 -4.990 12.991 -3.368 520 3HG2 ILE 68 3HG2 ILE 68 -6.214 12.819 -4.628 521 1HD1 ILE 68 1HD1 ILE 68 -3.555 10.801 -6.880 522 2HD1 ILE 68 2HD1 ILE 68 -3.853 12.521 -7.132 523 3HD1 ILE 68 3HD1 ILE 68 -2.210 11.941 -6.861 524 H LEU 69 H LEU 69 -5.293 9.929 -1.335 525 HA LEU 69 HA LEU 69 -7.468 8.078 -2.140 526 1HB LEU 69 1HB LEU 69 -6.260 8.811 0.535 527 2HB LEU 69 2HB LEU 69 -7.729 7.847 0.392 528 HG LEU 69 HG LEU 69 -6.326 6.375 -1.238 529 1HD1 LEU 69 1HD1 LEU 69 -4.422 8.355 -0.551 530 2HD1 LEU 69 2HD1 LEU 69 -3.907 6.872 0.257 531 3HD1 LEU 69 3HD1 LEU 69 -4.148 6.888 -1.491 532 1HD2 LEU 69 1HD2 LEU 69 -6.939 6.210 1.444 533 2HD2 LEU 69 2HD2 LEU 69 -6.187 4.921 0.506 534 3HD2 LEU 69 3HD2 LEU 69 -5.187 6.018 1.456 535 H GLU 70 H GLU 70 -9.539 8.463 -0.718 536 HA GLU 70 HA GLU 70 -10.180 11.185 0.019 537 1HB GLU 70 1HB GLU 70 -10.229 11.581 -2.368 538 2HB GLU 70 2HB GLU 70 -11.187 10.125 -2.638 539 1HG GLU 70 1HG GLU 70 -13.036 11.394 -2.433 540 2HG GLU 70 2HG GLU 70 -12.623 11.615 -0.732 541 H VAL 71 H VAL 71 -11.821 11.004 1.498 542 HA VAL 71 HA VAL 71 -13.292 8.422 1.566 543 HB VAL 71 HB VAL 71 -12.030 9.350 3.596 544 1HG1 VAL 71 1HG1 VAL 71 -12.790 11.690 3.343 545 2HG1 VAL 71 2HG1 VAL 71 -14.452 11.178 3.634 546 3HG1 VAL 71 3HG1 VAL 71 -13.250 11.038 4.916 547 1HG2 VAL 71 1HG2 VAL 71 -14.714 8.184 3.390 548 2HG2 VAL 71 2HG2 VAL 71 -13.362 7.713 4.421 549 3HG2 VAL 71 3HG2 VAL 71 -14.441 9.013 4.924 550 H GLN 72 H GLN 72 -15.402 8.335 1.034 551 HA GLN 72 HA GLN 72 -16.852 10.907 0.597 552 1HB GLN 72 1HB GLN 72 -18.001 8.341 -0.385 553 2HB GLN 72 2HB GLN 72 -17.952 9.922 -1.164 554 1HG GLN 72 1HG GLN 72 -15.294 9.295 -1.099 555 2HG GLN 72 2HG GLN 72 -16.016 7.698 -1.302 556 1HE2 GLN 72 2HE2 GLN 72 -18.315 8.444 -2.850 557 2HE2 GLN 72 1HE2 GLN 72 -17.782 9.008 -4.359 558 HA PRO 73 HA PRO 73 -19.791 9.863 3.696 559 1HB PRO 73 1HB PRO 73 -22.170 10.594 2.531 560 2HB PRO 73 2HB PRO 73 -20.961 11.757 3.101 561 1HG PRO 73 1HG PRO 73 -21.646 10.988 0.309 562 2HG PRO 73 2HG PRO 73 -20.907 12.481 0.911 563 1HD PRO 73 1HD PRO 73 -19.558 10.310 -0.342 564 2HD PRO 73 2HD PRO 73 -18.803 11.698 0.468 565 H GLY 74 H GLY 74 -19.150 7.433 2.601 566 1HA GLY 74 1HA GLY 74 -21.018 5.605 3.208 567 2HA GLY 74 2HA GLY 74 -21.633 6.141 1.646 568 H ASN 75 H ASN 75 -18.613 6.596 0.956 569 HA ASN 75 HA ASN 75 -17.707 3.792 0.718 570 1HB ASN 75 1HB ASN 75 -18.051 5.481 -1.769 571 2HB ASN 75 2HB ASN 75 -17.637 3.769 -1.676 572 1HD2 ASN 75 2HD2 ASN 75 -20.286 6.054 -1.644 573 2HD2 ASN 75 1HD2 ASN 75 -21.532 4.909 -1.511 574 H VAL 76 H VAL 76 -15.591 3.992 -0.887 575 HA VAL 76 HA VAL 76 -14.124 6.479 -0.222 576 HB VAL 76 HB VAL 76 -13.345 3.685 0.634 577 1HG1 VAL 76 1HG1 VAL 76 -11.447 4.772 -0.537 578 2HG1 VAL 76 2HG1 VAL 76 -11.595 6.159 0.541 579 3HG1 VAL 76 3HG1 VAL 76 -11.135 4.584 1.189 580 1HG2 VAL 76 1HG2 VAL 76 -14.425 6.013 1.924 581 2HG2 VAL 76 2HG2 VAL 76 -14.022 4.453 2.641 582 3HG2 VAL 76 3HG2 VAL 76 -12.802 5.722 2.550 583 H THR 77 H THR 77 -12.435 6.912 -1.703 584 HA THR 77 HA THR 77 -11.984 4.894 -3.847 585 HB THR 77 HB THR 77 -11.997 7.007 -5.416 586 HG1 THR 77 HG1 THR 77 -12.417 8.324 -3.453 587 1HG2 THR 77 1HG2 THR 77 -13.794 4.966 -4.848 588 2HG2 THR 77 2HG2 THR 77 -14.783 6.425 -4.767 589 3HG2 THR 77 3HG2 THR 77 -13.872 6.056 -6.232 590 H VAL 78 H VAL 78 -10.101 5.773 -5.314 591 HA VAL 78 HA VAL 78 -8.237 7.666 -4.281 592 HB VAL 78 HB VAL 78 -7.783 6.288 -2.419 593 1HG1 VAL 78 1HG1 VAL 78 -7.841 3.929 -4.324 594 2HG1 VAL 78 2HG1 VAL 78 -7.525 3.837 -2.591 595 3HG1 VAL 78 3HG1 VAL 78 -9.108 4.354 -3.173 596 1HG2 VAL 78 1HG2 VAL 78 -5.724 6.894 -3.692 597 2HG2 VAL 78 2HG2 VAL 78 -5.545 5.376 -2.811 598 3HG2 VAL 78 3HG2 VAL 78 -5.832 5.359 -4.552 599 H LEU 79 H LEU 79 -7.230 8.223 -6.148 600 HA LEU 79 HA LEU 79 -6.825 6.119 -8.218 601 1HB LEU 79 1HB LEU 79 -7.992 7.915 -9.195 602 2HB LEU 79 2HB LEU 79 -7.074 9.122 -8.297 603 HG LEU 79 HG LEU 79 -5.481 7.382 -10.092 604 1HD1 LEU 79 1HD1 LEU 79 -7.616 9.273 -11.065 605 2HD1 LEU 79 2HD1 LEU 79 -6.146 9.021 -12.005 606 3HD1 LEU 79 3HD1 LEU 79 -7.215 7.661 -11.658 607 1HD2 LEU 79 1HD2 LEU 79 -5.180 9.776 -8.680 608 2HD2 LEU 79 2HD2 LEU 79 -4.055 9.124 -9.872 609 3HD2 LEU 79 3HD2 LEU 79 -5.291 10.280 -10.368 610 H ALA 80 H ALA 80 -4.788 5.347 -8.487 611 HA ALA 80 HA ALA 80 -2.506 7.093 -7.653 612 1HB ALA 80 1HB ALA 80 -3.140 5.079 -6.106 613 2HB ALA 80 2HB ALA 80 -2.403 4.098 -7.373 614 3HB ALA 80 3HB ALA 80 -1.448 5.322 -6.537 615 H ASP 81 H ASP 81 -0.604 4.981 -8.443 616 HA ASP 81 HA ASP 81 -1.133 4.600 -11.325 617 1HB ASP 81 1HB ASP 81 0.339 6.826 -10.406 618 2HB ASP 81 2HB ASP 81 1.533 5.680 -11.020 619 H THR 82 H THR 82 1.103 4.193 -8.588 620 HA THR 82 HA THR 82 2.203 1.767 -9.926 621 HB THR 82 HB THR 82 3.193 3.414 -7.583 622 HG1 THR 82 HG1 THR 82 4.245 4.365 -9.105 623 1HG2 THR 82 1HG2 THR 82 3.567 0.909 -7.372 624 2HG2 THR 82 2HG2 THR 82 4.541 1.015 -8.838 625 3HG2 THR 82 3HG2 THR 82 5.030 1.892 -7.388 626 H ALA 83 H ALA 83 2.261 -0.234 -8.750 627 HA ALA 83 HA ALA 83 1.055 -0.478 -6.118 628 1HB ALA 83 1HB ALA 83 -0.961 -0.139 -7.572 629 2HB ALA 83 2HB ALA 83 -0.506 -1.587 -8.470 630 3HB ALA 83 3HB ALA 83 -0.942 -1.708 -6.766 631 H ILE 84 H ILE 84 0.863 -2.877 -5.539 632 HA ILE 84 HA ILE 84 2.743 -4.514 -7.182 633 HB ILE 84 HB ILE 84 2.750 -4.043 -4.197 634 1HG1 ILE 84 1HG1 ILE 84 4.839 -3.879 -6.392 635 2HG1 ILE 84 2HG1 ILE 84 4.118 -2.523 -5.525 636 1HG2 ILE 84 1HG2 ILE 84 3.959 -6.314 -5.788 637 2HG2 ILE 84 2HG2 ILE 84 4.537 -5.856 -4.186 638 3HG2 ILE 84 3HG2 ILE 84 2.881 -6.425 -4.398 639 1HD1 ILE 84 1HD1 ILE 84 5.571 -4.718 -4.051 640 2HD1 ILE 84 2HD1 ILE 84 6.443 -3.346 -4.737 641 3HD1 ILE 84 3HD1 ILE 84 5.209 -3.080 -3.505 642 H ARG 85 H ARG 85 -0.066 -4.390 -5.078 643 HA ARG 85 HA ARG 85 -1.822 -5.935 -4.845 644 1HB ARG 85 1HB ARG 85 -0.378 -7.627 -6.903 645 2HB ARG 85 2HB ARG 85 -2.094 -7.657 -6.496 646 1HG ARG 85 1HG ARG 85 -2.544 -5.959 -7.908 647 2HG ARG 85 2HG ARG 85 -1.230 -4.983 -7.252 648 1HD ARG 85 1HD ARG 85 0.266 -5.679 -8.845 649 2HD ARG 85 2HD ARG 85 -0.442 -7.290 -8.955 650 HE ARG 85 HE ARG 85 -2.396 -5.880 -10.121 651 1HH1 ARG 85 1HH2 ARG 85 0.015 -7.143 -11.624 652 2HH1 ARG 85 2HH2 ARG 85 0.433 -5.834 -12.678 653 1HH2 ARG 85 1HH1 ARG 85 -1.426 -3.484 -10.934 654 2HH2 ARG 85 2HH1 ARG 85 -0.385 -3.765 -12.290 655 H GLY 86 H GLY 86 0.270 -6.013 -3.019 656 1HA GLY 86 1HA GLY 86 0.960 -7.437 -1.272 657 2HA GLY 86 2HA GLY 86 0.040 -8.736 -2.033 658 H GLN 87 H GLN 87 1.224 -10.344 -2.949 659 HA GLN 87 HA GLN 87 4.086 -9.749 -3.593 660 1HB GLN 87 1HB GLN 87 4.284 -12.330 -3.294 661 2HB GLN 87 2HB GLN 87 4.153 -11.328 -1.847 662 1HG GLN 87 1HG GLN 87 2.624 -13.242 -1.689 663 2HG GLN 87 2HG GLN 87 1.707 -11.739 -1.804 664 1HE2 GLN 87 2HE2 GLN 87 2.484 -14.738 -3.463 665 2HE2 GLN 87 1HE2 GLN 87 1.432 -14.508 -4.774 666 H ASP 88 H ASP 88 1.640 -9.524 -5.322 667 HA ASP 88 HA ASP 88 1.303 -11.618 -7.141 668 1HB ASP 88 1HB ASP 88 0.035 -9.485 -7.216 669 2HB ASP 88 2HB ASP 88 1.477 -8.664 -7.817 670 H LEU 89 H LEU 89 3.898 -9.183 -7.066 671 HA LEU 89 HA LEU 89 5.149 -9.968 -9.512 672 1HB LEU 89 1HB LEU 89 5.792 -8.272 -7.228 673 2HB LEU 89 2HB LEU 89 7.214 -9.115 -7.843 674 HG LEU 89 HG LEU 89 6.818 -8.281 -10.082 675 1HD1 LEU 89 1HD1 LEU 89 4.151 -7.871 -9.024 676 2HD1 LEU 89 2HD1 LEU 89 4.755 -6.393 -9.774 677 3HD1 LEU 89 3HD1 LEU 89 4.688 -7.890 -10.703 678 1HD2 LEU 89 1HD2 LEU 89 7.223 -6.578 -7.786 679 2HD2 LEU 89 2HD2 LEU 89 7.934 -6.448 -9.395 680 3HD2 LEU 89 3HD2 LEU 89 6.384 -5.680 -9.051 681 H ASP 90 H ASP 90 6.999 -10.423 -6.547 682 HA ASP 90 HA ASP 90 7.279 -13.314 -7.261 683 1HB ASP 90 1HB ASP 90 9.389 -11.262 -6.617 684 2HB ASP 90 2HB ASP 90 9.681 -12.973 -6.301 685 H GLU 91 H GLU 91 8.074 -14.629 -5.372 686 HA GLU 91 HA GLU 91 6.858 -13.584 -2.855 687 1HB GLU 91 1HB GLU 91 5.818 -15.637 -3.632 688 2HB GLU 91 2HB GLU 91 7.393 -16.416 -3.798 689 1HG GLU 91 1HG GLU 91 7.708 -15.948 -1.293 690 2HG GLU 91 2HG GLU 91 5.981 -15.591 -1.259 691 H ALA 92 H ALA 92 9.352 -16.061 -3.506 692 HA ALA 92 HA ALA 92 10.900 -15.047 -1.215 693 1HB ALA 92 1HB ALA 92 10.661 -17.485 -1.574 694 2HB ALA 92 2HB ALA 92 11.481 -17.328 -3.128 695 3HB ALA 92 3HB ALA 92 12.353 -16.990 -1.633 696 H ARG 93 H ARG 93 10.814 -14.644 -4.624 697 HA ARG 93 HA ARG 93 13.643 -13.932 -4.893 698 1HB ARG 93 1HB ARG 93 11.381 -14.366 -6.663 699 2HB ARG 93 2HB ARG 93 12.240 -12.885 -7.085 700 1HG ARG 93 1HG ARG 93 14.370 -14.452 -6.717 701 2HG ARG 93 2HG ARG 93 13.204 -15.712 -7.123 702 1HD ARG 93 1HD ARG 93 12.572 -14.111 -9.104 703 2HD ARG 93 2HD ARG 93 14.165 -13.415 -8.805 704 HE ARG 93 HE ARG 93 14.422 -16.254 -8.962 705 1HH1 ARG 93 1HH1 ARG 93 12.874 -14.107 -11.061 706 2HH1 ARG 93 2HH1 ARG 93 13.837 -14.504 -12.444 707 1HH2 ARG 93 1HH2 ARG 93 16.039 -16.509 -10.666 708 2HH2 ARG 93 2HH2 ARG 93 15.631 -15.863 -12.220 709 H ALA 94 H ALA 94 11.200 -12.432 -3.333 710 HA ALA 94 HA ALA 94 11.704 -9.704 -4.347 711 1HB ALA 94 1HB ALA 94 9.597 -10.980 -2.922 712 2HB ALA 94 2HB ALA 94 10.260 -9.739 -1.860 713 3HB ALA 94 3HB ALA 94 9.669 -9.303 -3.463 714 H MET 95 H MET 95 12.857 -11.865 -1.930 715 HA MET 95 HA MET 95 13.859 -9.893 -0.067 716 1HB MET 95 1HB MET 95 13.939 -12.791 -0.400 717 2HB MET 95 2HB MET 95 15.486 -12.152 0.152 718 1HG MET 95 1HG MET 95 14.286 -10.906 1.953 719 2HG MET 95 2HG MET 95 12.782 -11.668 1.436 720 1HE MET 95 1HE MET 95 12.666 -13.973 0.851 721 2HE MET 95 2HE MET 95 14.144 -14.931 0.797 722 3HE MET 95 3HE MET 95 12.963 -15.219 2.072 723 H GLU 96 H GLU 96 15.010 -11.258 -3.071 724 HA GLU 96 HA GLU 96 17.788 -10.608 -2.788 725 1HB GLU 96 1HB GLU 96 15.956 -11.076 -5.129 726 2HB GLU 96 2HB GLU 96 17.599 -10.491 -5.400 727 1HG GLU 96 1HG GLU 96 18.287 -12.443 -3.803 728 2HG GLU 96 2HG GLU 96 16.698 -13.098 -4.201 729 H ALA 97 H ALA 97 14.965 -8.692 -3.464 730 HA ALA 97 HA ALA 97 16.463 -6.429 -4.559 731 1HB ALA 97 1HB ALA 97 13.726 -7.197 -4.368 732 2HB ALA 97 2HB ALA 97 13.896 -5.648 -3.541 733 3HB ALA 97 3HB ALA 97 14.402 -5.810 -5.222 734 H LYS 98 H LYS 98 14.941 -7.260 -1.446 735 HA LYS 98 HA LYS 98 15.462 -4.812 -0.105 736 1HB LYS 98 1HB LYS 98 14.175 -7.015 0.637 737 2HB LYS 98 2HB LYS 98 15.730 -7.405 1.374 738 1HG LYS 98 1HG LYS 98 15.331 -4.734 2.055 739 2HG LYS 98 2HG LYS 98 13.725 -5.448 2.205 740 1HD LYS 98 1HD LYS 98 14.513 -7.120 3.737 741 2HD LYS 98 2HD LYS 98 16.198 -6.706 3.417 742 1HE LYS 98 1HE LYS 98 16.085 -4.724 4.643 743 2HE LYS 98 2HE LYS 98 14.337 -4.594 4.461 744 1HZ LYS 98 1HZ LYS 98 14.593 -6.918 5.779 745 2HZ LYS 98 2HZ LYS 98 15.884 -6.027 6.432 746 3HZ LYS 98 3HZ LYS 98 14.299 -5.422 6.522 747 H ARG 99 H ARG 99 17.488 -7.726 -0.456 748 HA ARG 99 HA ARG 99 19.667 -6.703 1.131 749 1HB ARG 99 1HB ARG 99 19.120 -9.146 0.221 750 2HB ARG 99 2HB ARG 99 20.160 -8.629 -1.106 751 1HG ARG 99 1HG ARG 99 22.037 -8.609 0.195 752 2HG ARG 99 2HG ARG 99 21.169 -8.020 1.613 753 1HD ARG 99 1HD ARG 99 21.031 -10.109 2.435 754 2HD ARG 99 2HD ARG 99 20.221 -10.656 0.966 755 HE ARG 99 HE ARG 99 23.086 -10.403 0.583 756 1HH1 ARG 99 1HH1 ARG 99 20.591 -12.335 1.987 757 2HH1 ARG 99 2HH1 ARG 99 21.445 -13.825 1.770 758 1HH2 ARG 99 1HH2 ARG 99 24.184 -12.349 0.243 759 2HH2 ARG 99 2HH2 ARG 99 23.476 -13.834 0.785 760 H LYS 100 H LYS 100 18.675 -6.282 -2.192 761 HA LYS 100 HA LYS 100 21.265 -5.076 -2.945 762 1HB LYS 100 1HB LYS 100 18.733 -5.790 -4.394 763 2HB LYS 100 2HB LYS 100 19.825 -4.602 -5.106 764 1HG LYS 100 1HG LYS 100 21.600 -6.537 -4.380 765 2HG LYS 100 2HG LYS 100 20.182 -7.518 -4.754 766 1HD LYS 100 1HD LYS 100 20.026 -6.069 -6.909 767 2HD LYS 100 2HD LYS 100 21.703 -5.648 -6.558 768 1HE LYS 100 1HE LYS 100 21.226 -8.514 -6.298 769 2HE LYS 100 2HE LYS 100 20.840 -7.924 -7.916 770 1HZ LYS 100 1HZ LYS 100 23.098 -6.668 -7.586 771 2HZ LYS 100 2HZ LYS 100 23.402 -7.937 -6.498 772 3HZ LYS 100 3HZ LYS 100 23.065 -8.275 -8.129 773 H ALA 101 H ALA 101 18.855 -4.013 -1.088 774 HA ALA 101 HA ALA 101 18.483 -1.374 -2.364 775 1HB ALA 101 1HB ALA 101 17.388 -2.645 0.153 776 2HB ALA 101 2HB ALA 101 17.109 -0.950 -0.250 777 3HB ALA 101 3HB ALA 101 16.510 -2.219 -1.318 778 H GLU 102 H GLU 102 20.156 -2.825 0.398 779 HA GLU 102 HA GLU 102 21.006 -0.307 1.542 780 1HB GLU 102 1HB GLU 102 20.981 -2.351 2.892 781 2HB GLU 102 2HB GLU 102 22.163 -3.100 1.818 782 1HG GLU 102 1HG GLU 102 23.850 -2.138 2.954 783 2HG GLU 102 2HG GLU 102 23.163 -0.541 2.659 784 H GLU 103 H GLU 103 22.353 -2.527 -0.856 785 HA GLU 103 HA GLU 103 24.968 -1.388 -1.002 786 1HB GLU 103 1HB GLU 103 24.079 -3.564 -2.077 787 2HB GLU 103 2HB GLU 103 23.498 -2.527 -3.381 788 1HG GLU 103 1HG GLU 103 25.560 -2.512 -4.273 789 2HG GLU 103 2HG GLU 103 26.176 -1.747 -2.808 790 H HIS 104 H HIS 104 21.900 -0.483 -2.513 791 HA HIS 104 HA HIS 104 23.019 1.437 -4.343 792 1HB HIS 104 1HB HIS 104 20.490 0.399 -3.859 793 2HB HIS 104 2HB HIS 104 20.337 2.084 -3.359 794 HD1 HIS 104 HD1 HIS 104 19.828 3.661 -5.220 795 HD2 HIS 104 HD2 HIS 104 21.833 0.273 -6.595 796 HE1 HIS 104 HE1 HIS 104 20.007 3.903 -7.735 797 H ILE 105 H ILE 105 21.536 1.806 -1.104 798 HA ILE 105 HA ILE 105 22.410 4.623 -1.028 799 HB ILE 105 HB ILE 105 21.186 3.152 1.290 800 1HG1 ILE 105 1HG1 ILE 105 19.724 4.211 -1.153 801 2HG1 ILE 105 2HG1 ILE 105 19.845 2.517 -0.676 802 1HG2 ILE 105 1HG2 ILE 105 21.613 5.921 0.386 803 2HG2 ILE 105 2HG2 ILE 105 19.987 5.610 0.994 804 3HG2 ILE 105 3HG2 ILE 105 21.387 5.295 2.019 805 1HD1 ILE 105 1HD1 ILE 105 18.891 3.532 1.625 806 2HD1 ILE 105 2HD1 ILE 105 18.203 4.702 0.500 807 3HD1 ILE 105 3HD1 ILE 105 17.832 2.988 0.324 808 H SER 106 H SER 106 24.365 2.349 -1.042 809 HA SER 106 HA SER 106 25.478 2.087 1.603 810 1HB SER 106 1HB SER 106 26.109 1.183 -1.075 811 2HB SER 106 2HB SER 106 27.563 1.758 -0.263 812 HG SER 106 HG SER 106 25.808 -0.325 0.421 813 H SER 107 H SER 107 25.724 4.185 2.486 814 HA SER 107 HA SER 107 26.876 6.180 2.925 815 1HB SER 107 1HB SER 107 28.867 4.780 1.128 816 2HB SER 107 2HB SER 107 29.194 6.340 1.879 817 HG SER 107 HG SER 107 29.921 4.523 3.124 818 H SER 108 H SER 108 26.923 8.267 2.050 819 HA SER 108 HA SER 108 27.164 8.876 -0.728 820 1HB SER 108 1HB SER 108 25.113 8.269 -1.469 821 2HB SER 108 2HB SER 108 24.525 7.995 0.169 822 HG SER 108 HG SER 108 23.991 10.119 0.328 823 H HIS 109 H HIS 109 27.969 10.904 -0.565 824 HA HIS 109 HA HIS 109 27.124 12.606 1.714 825 1HB HIS 109 1HB HIS 109 29.504 12.413 -0.034 826 2HB HIS 109 2HB HIS 109 29.029 14.053 0.407 827 HD1 HIS 109 HD1 HIS 109 29.579 10.701 2.159 828 HD2 HIS 109 HD2 HIS 109 29.957 14.786 2.901 829 HE1 HIS 109 HE1 HIS 109 30.593 10.919 4.470 830 H GLY 110 H GLY 110 24.958 12.845 0.564 831 1HA GLY 110 1HA GLY 110 25.079 15.267 -1.145 832 2HA GLY 110 2HA GLY 110 24.205 13.870 -1.775 833 H ASP 111 H ASP 111 23.517 16.708 -0.527 834 HA ASP 111 HA ASP 111 21.830 16.140 1.735 835 1HB ASP 111 1HB ASP 111 21.265 18.401 -0.162 836 2HB ASP 111 2HB ASP 111 21.168 18.377 1.599 837 H VAL 112 H VAL 112 19.445 17.547 0.661 838 HA VAL 112 HA VAL 112 17.626 15.572 0.202 839 HB VAL 112 HB VAL 112 16.612 17.651 0.189 840 1HG1 VAL 112 1HG1 VAL 112 19.073 18.422 -1.266 841 2HG1 VAL 112 2HG1 VAL 112 17.635 19.368 -1.654 842 3HG1 VAL 112 3HG1 VAL 112 18.206 19.273 0.013 843 1HG2 VAL 112 1HG2 VAL 112 16.943 17.095 -2.780 844 2HG2 VAL 112 2HG2 VAL 112 15.676 16.440 -1.740 845 3HG2 VAL 112 3HG2 VAL 112 15.733 18.171 -2.078 846 H ASP 113 H ASP 113 19.988 16.713 -2.111 847 HA ASP 113 HA ASP 113 19.203 15.817 -4.565 848 1HB ASP 113 1HB ASP 113 21.416 16.700 -4.179 849 2HB ASP 113 2HB ASP 113 21.836 15.306 -3.179 850 H TYR 114 H TYR 114 21.431 13.482 -3.209 851 HA TYR 114 HA TYR 114 20.008 11.251 -4.312 852 1HB TYR 114 1HB TYR 114 22.498 11.409 -3.604 853 2HB TYR 114 2HB TYR 114 21.917 11.055 -1.977 854 HD1 TYR 114 HD1 TYR 114 20.940 9.814 -5.382 855 HD2 TYR 114 HD2 TYR 114 22.320 8.826 -1.438 856 HE1 TYR 114 HE1 TYR 114 20.823 7.403 -5.947 857 HE2 TYR 114 HE2 TYR 114 22.201 6.414 -2.000 858 HH TYR 114 HH TYR 114 20.871 5.313 -5.092 859 H ALA 115 H ALA 115 19.681 13.062 -1.423 860 HA ALA 115 HA ALA 115 18.544 11.218 0.380 861 1HB ALA 115 1HB ALA 115 18.738 14.076 0.056 862 2HB ALA 115 2HB ALA 115 17.115 13.654 0.607 863 3HB ALA 115 3HB ALA 115 18.523 13.149 1.543 864 H GLN 116 H GLN 116 17.237 12.655 -2.516 865 HA GLN 116 HA GLN 116 14.468 11.930 -1.907 866 1HB GLN 116 1HB GLN 116 15.911 13.392 -4.011 867 2HB GLN 116 2HB GLN 116 14.574 12.414 -4.622 868 1HG GLN 116 1HG GLN 116 12.998 13.502 -3.185 869 2HG GLN 116 2HG GLN 116 14.281 14.277 -2.256 870 1HE2 GLN 116 2HE2 GLN 116 15.905 15.486 -4.041 871 2HE2 GLN 116 1HE2 GLN 116 15.058 16.543 -5.064 872 H ALA 117 H ALA 117 17.182 10.570 -3.698 873 HA ALA 117 HA ALA 117 15.628 8.542 -5.061 874 1HB ALA 117 1HB ALA 117 18.334 9.409 -5.025 875 2HB ALA 117 2HB ALA 117 18.339 7.694 -4.616 876 3HB ALA 117 3HB ALA 117 17.593 8.240 -6.117 877 H SER 118 H SER 118 16.628 8.928 -1.826 878 HA SER 118 HA SER 118 16.801 6.062 -1.226 879 1HB SER 118 1HB SER 118 18.152 7.516 0.130 880 2HB SER 118 2HB SER 118 16.773 8.545 0.506 881 HG SER 118 HG SER 118 17.099 7.156 2.220 882 H ALA 119 H ALA 119 14.256 7.788 -2.146 883 HA ALA 119 HA ALA 119 12.394 6.989 0.005 884 1HB ALA 119 1HB ALA 119 12.401 9.114 -1.733 885 2HB ALA 119 2HB ALA 119 11.267 8.015 -2.521 886 3HB ALA 119 3HB ALA 119 10.978 8.543 -0.863 887 H GLU 120 H GLU 120 13.021 6.236 -3.421 888 HA GLU 120 HA GLU 120 10.915 4.287 -3.651 889 1HB GLU 120 1HB GLU 120 12.119 3.557 -5.685 890 2HB GLU 120 2HB GLU 120 11.978 5.315 -5.625 891 1HG GLU 120 1HG GLU 120 14.259 5.487 -4.733 892 2HG GLU 120 2HG GLU 120 14.407 3.730 -4.740 893 H LEU 121 H LEU 121 13.886 4.234 -1.991 894 HA LEU 121 HA LEU 121 14.323 1.344 -2.236 895 1HB LEU 121 1HB LEU 121 15.659 3.625 -0.859 896 2HB LEU 121 2HB LEU 121 15.874 2.027 -0.144 897 HG LEU 121 HG LEU 121 17.651 2.511 -1.791 898 1HD1 LEU 121 1HD1 LEU 121 16.286 0.197 -1.506 899 2HD1 LEU 121 2HD1 LEU 121 16.001 0.493 -3.222 900 3HD1 LEU 121 3HD1 LEU 121 17.650 0.370 -2.609 901 1HD2 LEU 121 1HD2 LEU 121 16.046 3.975 -3.190 902 2HD2 LEU 121 2HD2 LEU 121 17.183 2.957 -4.074 903 3HD2 LEU 121 3HD2 LEU 121 15.498 2.461 -3.910 904 H ALA 122 H ALA 122 12.901 3.589 0.105 905 HA ALA 122 HA ALA 122 12.466 1.514 2.108 906 1HB ALA 122 1HB ALA 122 12.655 4.101 2.435 907 2HB ALA 122 2HB ALA 122 10.944 4.109 2.004 908 3HB ALA 122 3HB ALA 122 11.495 3.204 3.415 909 H LYS 123 H LYS 123 10.518 3.099 -0.402 910 HA LYS 123 HA LYS 123 8.048 1.794 0.332 911 1HB LYS 123 1HB LYS 123 8.973 3.064 -2.261 912 2HB LYS 123 2HB LYS 123 7.332 2.475 -1.986 913 1HG LYS 123 1HG LYS 123 7.144 3.989 -0.022 914 2HG LYS 123 2HG LYS 123 8.752 4.620 -0.381 915 1HD LYS 123 1HD LYS 123 7.927 5.284 -2.651 916 2HD LYS 123 2HD LYS 123 6.308 4.781 -2.166 917 1HE LYS 123 1HE LYS 123 6.370 7.122 -1.747 918 2HE LYS 123 2HE LYS 123 6.589 6.370 -0.166 919 1HZ LYS 123 1HZ LYS 123 9.017 6.591 -0.515 920 2HZ LYS 123 2HZ LYS 123 8.704 7.481 -1.927 921 3HZ LYS 123 3HZ LYS 123 8.209 8.079 -0.415 922 H ALA 124 H ALA 124 10.896 0.694 -1.185 923 HA ALA 124 HA ALA 124 9.566 -1.432 -2.726 924 1HB ALA 124 1HB ALA 124 12.335 -0.405 -2.406 925 2HB ALA 124 2HB ALA 124 12.187 -2.132 -2.737 926 3HB ALA 124 3HB ALA 124 11.500 -0.956 -3.859 927 H ILE 125 H ILE 125 10.440 -0.934 0.491 928 HA ILE 125 HA ILE 125 11.106 -3.750 1.052 929 HB ILE 125 HB ILE 125 10.567 -1.532 3.042 930 1HG1 ILE 125 1HG1 ILE 125 12.299 -0.853 1.387 931 2HG1 ILE 125 2HG1 ILE 125 12.979 -1.095 2.997 932 1HG2 ILE 125 1HG2 ILE 125 11.219 -4.309 3.244 933 2HG2 ILE 125 2HG2 ILE 125 12.615 -3.380 3.791 934 3HG2 ILE 125 3HG2 ILE 125 11.040 -3.135 4.548 935 1HD1 ILE 125 1HD1 ILE 125 13.233 -3.604 1.993 936 2HD1 ILE 125 2HD1 ILE 125 13.398 -2.660 0.513 937 3HD1 ILE 125 3HD1 ILE 125 14.494 -2.379 1.864 938 H ALA 126 H ALA 126 8.308 -1.751 0.877 939 HA ALA 126 HA ALA 126 6.646 -3.091 2.789 940 1HB ALA 126 1HB ALA 126 6.139 -0.892 1.623 941 2HB ALA 126 2HB ALA 126 5.725 -1.834 0.191 942 3HB ALA 126 3HB ALA 126 4.795 -2.032 1.676 943 H GLN 127 H GLN 127 7.698 -3.902 -0.438 944 HA GLN 127 HA GLN 127 5.691 -5.799 -1.135 945 1HB GLN 127 1HB GLN 127 7.511 -4.924 -2.650 946 2HB GLN 127 2HB GLN 127 8.643 -5.978 -1.802 947 1HG GLN 127 1HG GLN 127 7.507 -7.945 -2.521 948 2HG GLN 127 2HG GLN 127 6.102 -7.025 -3.060 949 1HE2 GLN 127 2HE2 GLN 127 9.281 -5.710 -3.729 950 2HE2 GLN 127 1HE2 GLN 127 9.286 -6.053 -5.392 951 H LEU 128 H LEU 128 8.548 -6.057 0.930 952 HA LEU 128 HA LEU 128 8.108 -8.956 1.299 953 1HB LEU 128 1HB LEU 128 10.420 -7.930 1.162 954 2HB LEU 128 2HB LEU 128 10.100 -7.171 2.722 955 HG LEU 128 HG LEU 128 9.734 -9.369 3.745 956 1HD1 LEU 128 1HD1 LEU 128 9.574 -10.159 0.954 957 2HD1 LEU 128 2HD1 LEU 128 10.729 -11.162 1.830 958 3HD1 LEU 128 3HD1 LEU 128 9.061 -11.043 2.392 959 1HD2 LEU 128 1HD2 LEU 128 12.176 -8.346 2.825 960 2HD2 LEU 128 2HD2 LEU 128 11.960 -9.562 4.085 961 3HD2 LEU 128 3HD2 LEU 128 12.230 -10.062 2.415 962 H ARG 129 H ARG 129 7.029 -6.044 2.681 963 HA ARG 129 HA ARG 129 6.784 -6.973 5.425 964 1HB ARG 129 1HB ARG 129 6.597 -4.520 4.202 965 2HB ARG 129 2HB ARG 129 4.902 -4.889 4.527 966 1HG ARG 129 1HG ARG 129 5.545 -3.874 6.526 967 2HG ARG 129 2HG ARG 129 5.801 -5.579 6.900 968 1HD ARG 129 1HD ARG 129 8.127 -5.408 6.699 969 2HD ARG 129 2HD ARG 129 8.031 -3.959 5.698 970 HE ARG 129 HE ARG 129 8.159 -2.738 7.698 971 1HH1 ARG 129 1HH1 ARG 129 7.149 -5.962 8.315 972 2HH1 ARG 129 2HH1 ARG 129 6.704 -5.655 9.961 973 1HH2 ARG 129 1HH2 ARG 129 7.378 -2.258 9.789 974 2HH2 ARG 129 2HH2 ARG 129 6.834 -3.557 10.796 975 H VAL 130 H VAL 130 4.285 -6.291 2.942 976 HA VAL 130 HA VAL 130 2.139 -7.532 4.292 977 HB VAL 130 HB VAL 130 1.154 -7.836 1.984 978 1HG1 VAL 130 1HG1 VAL 130 0.960 -5.718 3.296 979 2HG1 VAL 130 2HG1 VAL 130 2.418 -5.127 2.495 980 3HG1 VAL 130 3HG1 VAL 130 0.961 -5.448 1.554 981 1HG2 VAL 130 1HG2 VAL 130 3.970 -7.080 1.294 982 2HG2 VAL 130 2HG2 VAL 130 2.897 -8.237 0.507 983 3HG2 VAL 130 3HG2 VAL 130 2.666 -6.508 0.252 984 H ILE 131 H ILE 131 4.293 -8.970 1.821 985 HA ILE 131 HA ILE 131 3.171 -11.577 1.899 986 HB ILE 131 HB ILE 131 4.748 -10.823 0.152 987 1HG1 ILE 131 1HG1 ILE 131 5.595 -13.237 1.783 988 2HG1 ILE 131 2HG1 ILE 131 4.481 -13.214 0.415 989 1HG2 ILE 131 1HG2 ILE 131 6.786 -11.014 2.391 990 2HG2 ILE 131 2HG2 ILE 131 7.172 -10.761 0.689 991 3HG2 ILE 131 3HG2 ILE 131 6.272 -9.534 1.581 992 1HD1 ILE 131 1HD1 ILE 131 6.499 -12.195 -0.895 993 2HD1 ILE 131 2HD1 ILE 131 7.470 -12.860 0.419 994 3HD1 ILE 131 3HD1 ILE 131 6.482 -13.929 -0.577 995 H GLU 132 H GLU 132 5.396 -9.981 4.080 996 HA GLU 132 HA GLU 132 6.433 -12.349 5.336 997 1HB GLU 132 1HB GLU 132 6.351 -9.443 5.950 998 2HB GLU 132 2HB GLU 132 6.590 -10.526 7.323 999 1HG GLU 132 1HG GLU 132 8.202 -10.860 4.798 1000 2HG GLU 132 2HG GLU 132 8.695 -9.706 6.038 1001 H LEU 133 H LEU 133 3.574 -10.331 5.988 1002 HA LEU 133 HA LEU 133 2.873 -12.053 8.282 1003 1HB LEU 133 1HB LEU 133 1.273 -10.443 8.850 1004 2HB LEU 133 2HB LEU 133 2.531 -9.465 8.098 1005 HG LEU 133 HG LEU 133 1.169 -9.925 5.891 1006 1HD1 LEU 133 1HD1 LEU 133 -0.509 -11.049 7.984 1007 2HD1 LEU 133 2HD1 LEU 133 -1.350 -9.767 7.116 1008 3HD1 LEU 133 3HD1 LEU 133 -0.698 -11.148 6.234 1009 1HD2 LEU 133 1HD2 LEU 133 1.031 -7.909 7.983 1010 2HD2 LEU 133 2HD2 LEU 133 0.978 -7.699 6.233 1011 3HD2 LEU 133 3HD2 LEU 133 -0.504 -8.037 7.125 1012 H THR 134 H THR 134 2.261 -11.894 4.914 1013 HA THR 134 HA THR 134 -0.376 -12.970 4.790 1014 HB THR 134 HB THR 134 0.397 -13.860 2.533 1015 HG1 THR 134 HG1 THR 134 2.596 -14.101 3.182 1016 1HG2 THR 134 1HG2 THR 134 -0.036 -11.220 3.447 1017 2HG2 THR 134 2HG2 THR 134 1.318 -11.138 2.320 1018 3HG2 THR 134 3HG2 THR 134 -0.221 -11.828 1.802 1019 H LYS 135 H LYS 135 2.793 -14.540 5.115 1020 HA LYS 135 HA LYS 135 1.914 -17.230 4.808 1021 1HB LYS 135 1HB LYS 135 4.214 -15.943 6.268 1022 2HB LYS 135 2HB LYS 135 3.934 -17.681 6.395 1023 1HG LYS 135 1HG LYS 135 4.314 -18.041 4.111 1024 2HG LYS 135 2HG LYS 135 3.994 -16.357 3.695 1025 1HD LYS 135 1HD LYS 135 6.217 -16.000 3.758 1026 2HD LYS 135 2HD LYS 135 6.149 -16.275 5.499 1027 1HE LYS 135 1HE LYS 135 7.719 -17.870 4.806 1028 2HE LYS 135 2HE LYS 135 6.225 -18.806 4.849 1029 1HZ LYS 135 1HZ LYS 135 6.519 -17.505 2.350 1030 2HZ LYS 135 2HZ LYS 135 7.896 -18.436 2.686 1031 3HZ LYS 135 3HZ LYS 135 6.361 -19.163 2.684 1032 H LYS 136 H LYS 136 1.848 -15.039 7.574 1033 HA LYS 136 HA LYS 136 0.708 -17.205 9.264 1034 1HB LYS 136 1HB LYS 136 2.481 -15.123 9.819 1035 2HB LYS 136 2HB LYS 136 0.955 -14.585 10.522 1036 1HG LYS 136 1HG LYS 136 0.938 -16.244 12.092 1037 2HG LYS 136 2HG LYS 136 1.648 -17.428 10.995 1038 1HD LYS 136 1HD LYS 136 3.771 -15.833 11.230 1039 2HD LYS 136 2HD LYS 136 2.998 -15.433 12.764 1040 1HE LYS 136 1HE LYS 136 3.412 -17.489 13.654 1041 2HE LYS 136 2HE LYS 136 3.085 -18.320 12.133 1042 1HZ LYS 136 1HZ LYS 136 5.529 -16.711 12.593 1043 2HZ LYS 136 2HZ LYS 136 5.452 -18.374 12.920 1044 3HZ LYS 136 3HZ LYS 136 5.225 -17.809 11.333 1045 H ALA 137 H ALA 137 -0.424 -15.000 7.101 1046 HA ALA 137 HA ALA 137 -2.669 -13.924 8.617 1047 1HB ALA 137 1HB ALA 137 -1.710 -12.776 6.615 1048 2HB ALA 137 2HB ALA 137 -2.292 -14.104 5.611 1049 3HB ALA 137 3HB ALA 137 -3.442 -13.072 6.462 1050 H MET 138 H MET 138 -2.130 -16.664 6.443 1051 HA MET 138 HA MET 138 -3.544 -18.449 5.860 1052 1HB MET 138 1HB MET 138 -3.229 -18.619 8.435 1053 2HB MET 138 2HB MET 138 -4.883 -18.012 8.526 1054 1HG MET 138 1HG MET 138 -5.254 -19.924 6.679 1055 2HG MET 138 2HG MET 138 -3.878 -20.632 7.525 1056 1HE MET 138 1HE MET 138 -3.842 -21.577 9.775 1057 2HE MET 138 2HE MET 138 -5.314 -22.376 10.322 1058 3HE MET 138 3HE MET 138 -4.754 -22.613 8.670 Start of MODEL 8 1 1H ALA 1 1H ALA 1 -24.267 -1.788 7.804 2 2H ALA 1 2H ALA 1 -25.919 -1.490 8.072 3 3H ALA 1 3H ALA 1 -25.271 -1.331 6.513 4 HA ALA 1 HA ALA 1 -25.151 0.837 6.987 5 1HB ALA 1 1HB ALA 1 -26.391 0.131 9.213 6 2HB ALA 1 2HB ALA 1 -24.808 0.416 9.938 7 3HB ALA 1 3HB ALA 1 -25.636 1.720 9.086 8 H MET 2 H MET 2 -23.205 -0.601 9.626 9 HA MET 2 HA MET 2 -20.968 1.062 9.364 10 1HB MET 2 1HB MET 2 -19.688 -0.708 10.463 11 2HB MET 2 2HB MET 2 -21.294 -0.611 11.186 12 1HG MET 2 1HG MET 2 -21.712 -2.750 10.625 13 2HG MET 2 2HG MET 2 -21.386 -2.391 8.929 14 1HE MET 2 1HE MET 2 -19.916 -2.400 12.226 15 2HE MET 2 2HE MET 2 -19.448 -4.099 12.278 16 3HE MET 2 3HE MET 2 -18.216 -2.859 12.057 17 H THR 3 H THR 3 -18.725 0.102 8.607 18 HA THR 3 HA THR 3 -17.372 -0.298 6.741 19 HB THR 3 HB THR 3 -18.155 -2.625 7.425 20 HG1 THR 3 HG1 THR 3 -17.766 -2.736 4.701 21 1HG2 THR 3 1HG2 THR 3 -20.118 -2.039 5.221 22 2HG2 THR 3 2HG2 THR 3 -19.581 -3.682 5.523 23 3HG2 THR 3 3HG2 THR 3 -20.407 -2.783 6.790 24 H TYR 4 H TYR 4 -17.154 0.652 4.846 25 HA TYR 4 HA TYR 4 -19.625 1.275 3.293 26 1HB TYR 4 1HB TYR 4 -18.255 3.147 2.336 27 2HB TYR 4 2HB TYR 4 -18.488 3.285 4.078 28 HD1 TYR 4 HD1 TYR 4 -16.099 1.810 1.584 29 HD2 TYR 4 HD2 TYR 4 -16.624 3.597 5.455 30 HE1 TYR 4 HE1 TYR 4 -13.654 1.838 1.894 31 HE2 TYR 4 HE2 TYR 4 -14.161 3.612 5.778 32 HH TYR 4 HH TYR 4 -12.167 2.117 4.742 33 H HIS 5 H HIS 5 -18.476 1.891 0.864 34 HA HIS 5 HA HIS 5 -17.218 -0.707 0.106 35 1HB HIS 5 1HB HIS 5 -19.119 -0.741 -1.195 36 2HB HIS 5 2HB HIS 5 -19.280 1.013 -1.179 37 HD1 HIS 5 HD1 HIS 5 -18.360 -1.674 -3.398 38 HD2 HIS 5 HD2 HIS 5 -17.044 2.230 -2.833 39 HE1 HIS 5 HE1 HIS 5 -17.073 -1.036 -5.487 40 H LEU 6 H LEU 6 -15.247 -0.646 -0.969 41 HA LEU 6 HA LEU 6 -14.297 2.061 -1.719 42 1HB LEU 6 1HB LEU 6 -12.265 1.842 -0.670 43 2HB LEU 6 2HB LEU 6 -13.253 0.879 0.419 44 HG LEU 6 HG LEU 6 -12.660 -1.095 -1.117 45 1HD1 LEU 6 1HD1 LEU 6 -11.056 1.095 -2.233 46 2HD1 LEU 6 2HD1 LEU 6 -10.107 -0.347 -1.867 47 3HD1 LEU 6 3HD1 LEU 6 -11.493 -0.454 -2.952 48 1HD2 LEU 6 1HD2 LEU 6 -11.127 0.231 1.000 49 2HD2 LEU 6 2HD2 LEU 6 -11.577 -1.466 0.832 50 3HD2 LEU 6 3HD2 LEU 6 -10.153 -0.845 -0.001 51 H ASP 7 H ASP 7 -12.554 1.991 -3.422 52 HA ASP 7 HA ASP 7 -12.457 -0.506 -4.991 53 1HB ASP 7 1HB ASP 7 -14.304 1.576 -5.618 54 2HB ASP 7 2HB ASP 7 -13.041 1.593 -6.851 55 H VAL 8 H VAL 8 -10.218 -0.585 -4.914 56 HA VAL 8 HA VAL 8 -8.706 1.864 -5.666 57 HB VAL 8 HB VAL 8 -7.958 0.731 -3.633 58 1HG1 VAL 8 1HG1 VAL 8 -8.601 -1.599 -5.135 59 2HG1 VAL 8 2HG1 VAL 8 -6.880 -1.679 -4.761 60 3HG1 VAL 8 3HG1 VAL 8 -8.058 -1.510 -3.459 61 1HG2 VAL 8 1HG2 VAL 8 -6.270 0.776 -6.082 62 2HG2 VAL 8 2HG2 VAL 8 -6.044 1.612 -4.546 63 3HG2 VAL 8 3HG2 VAL 8 -5.620 -0.094 -4.694 64 H VAL 9 H VAL 9 -7.961 2.039 -7.730 65 HA VAL 9 HA VAL 9 -7.394 -0.464 -9.248 66 HB VAL 9 HB VAL 9 -8.719 1.877 -10.601 67 1HG1 VAL 9 1HG1 VAL 9 -8.363 -1.075 -11.128 68 2HG1 VAL 9 2HG1 VAL 9 -9.566 -0.122 -11.997 69 3HG1 VAL 9 3HG1 VAL 9 -7.855 0.285 -12.130 70 1HG2 VAL 9 1HG2 VAL 9 -10.030 -0.348 -9.021 71 2HG2 VAL 9 2HG2 VAL 9 -10.287 1.389 -8.860 72 3HG2 VAL 9 3HG2 VAL 9 -10.878 0.539 -10.288 73 H SER 10 H SER 10 -5.693 -0.250 -10.759 74 HA SER 10 HA SER 10 -4.275 2.384 -10.704 75 1HB SER 10 1HB SER 10 -2.796 -0.206 -11.034 76 2HB SER 10 2HB SER 10 -2.215 1.333 -10.406 77 HG SER 10 HG SER 10 -2.532 0.173 -8.611 78 H ALA 11 H ALA 11 -2.247 1.117 -12.550 79 HA ALA 11 HA ALA 11 -2.988 2.089 -15.003 80 1HB ALA 11 1HB ALA 11 -1.077 0.142 -14.067 81 2HB ALA 11 2HB ALA 11 -1.739 -0.371 -15.620 82 3HB ALA 11 3HB ALA 11 -0.971 1.209 -15.467 83 H GLU 12 H GLU 12 -3.188 -1.453 -14.598 84 HA GLU 12 HA GLU 12 -5.987 -1.440 -15.516 85 1HB GLU 12 1HB GLU 12 -3.682 -2.407 -17.204 86 2HB GLU 12 2HB GLU 12 -5.284 -3.126 -17.371 87 1HG GLU 12 1HG GLU 12 -6.207 -0.800 -17.690 88 2HG GLU 12 2HG GLU 12 -4.545 -0.213 -17.744 89 H GLN 13 H GLN 13 -5.641 -2.314 -13.152 90 HA GLN 13 HA GLN 13 -5.830 -5.241 -13.335 91 1HB GLN 13 1HB GLN 13 -3.358 -4.646 -12.992 92 2HB GLN 13 2HB GLN 13 -3.831 -4.061 -11.396 93 1HG GLN 13 1HG GLN 13 -3.737 -6.170 -10.627 94 2HG GLN 13 2HG GLN 13 -5.049 -6.602 -11.724 95 1HE2 GLN 13 2HE2 GLN 13 -3.892 -8.747 -11.932 96 2HE2 GLN 13 1HE2 GLN 13 -2.579 -8.868 -13.001 97 H GLN 14 H GLN 14 -7.210 -6.020 -11.752 98 HA GLN 14 HA GLN 14 -8.437 -3.988 -9.985 99 1HB GLN 14 1HB GLN 14 -9.197 -6.817 -10.744 100 2HB GLN 14 2HB GLN 14 -10.057 -5.902 -9.505 101 1HG GLN 14 1HG GLN 14 -11.319 -5.129 -11.227 102 2HG GLN 14 2HG GLN 14 -9.936 -4.088 -11.569 103 1HE2 GLN 14 2HE2 GLN 14 -12.007 -5.948 -13.221 104 2HE2 GLN 14 1HE2 GLN 14 -10.983 -6.606 -14.404 105 H MET 15 H MET 15 -8.255 -4.038 -7.759 106 HA MET 15 HA MET 15 -6.657 -6.283 -6.594 107 1HB MET 15 1HB MET 15 -6.529 -3.328 -5.916 108 2HB MET 15 2HB MET 15 -5.703 -4.598 -5.012 109 1HG MET 15 1HG MET 15 -5.200 -4.816 -7.874 110 2HG MET 15 2HG MET 15 -4.702 -3.246 -7.241 111 1HE MET 15 1HE MET 15 -2.739 -3.126 -7.500 112 2HE MET 15 2HE MET 15 -1.776 -3.339 -6.041 113 3HE MET 15 3HE MET 15 -1.488 -4.374 -7.438 114 H PHE 16 H PHE 16 -8.674 -3.512 -5.528 115 HA PHE 16 HA PHE 16 -10.198 -5.446 -3.834 116 1HB PHE 16 1HB PHE 16 -8.541 -4.050 -2.505 117 2HB PHE 16 2HB PHE 16 -9.475 -2.633 -2.976 118 HD1 PHE 16 HD1 PHE 16 -9.559 -5.802 -1.059 119 HD2 PHE 16 HD2 PHE 16 -11.663 -2.201 -2.055 120 HE1 PHE 16 HE1 PHE 16 -11.190 -6.247 0.757 121 HE2 PHE 16 HE2 PHE 16 -13.289 -2.636 -0.259 122 HZ PHE 16 HZ PHE 16 -13.058 -4.664 1.159 123 H SER 17 H SER 17 -12.394 -5.220 -4.022 124 HA SER 17 HA SER 17 -13.629 -2.679 -4.728 125 1HB SER 17 1HB SER 17 -14.498 -3.291 -6.885 126 2HB SER 17 2HB SER 17 -12.760 -3.575 -6.937 127 HG SER 17 HG SER 17 -14.649 -5.291 -7.460 128 H GLY 18 H GLY 18 -14.987 -2.994 -2.953 129 1HA GLY 18 1HA GLY 18 -17.413 -4.311 -3.214 130 2HA GLY 18 2HA GLY 18 -16.353 -5.518 -2.485 131 H LEU 19 H LEU 19 -17.530 -5.469 -0.485 132 HA LEU 19 HA LEU 19 -17.969 -3.004 0.955 133 1HB LEU 19 1HB LEU 19 -17.889 -5.852 1.988 134 2HB LEU 19 2HB LEU 19 -18.576 -4.461 2.831 135 HG LEU 19 HG LEU 19 -19.557 -5.799 0.309 136 1HD1 LEU 19 1HD1 LEU 19 -20.281 -5.974 2.975 137 2HD1 LEU 19 2HD1 LEU 19 -21.453 -4.831 2.321 138 3HD1 LEU 19 3HD1 LEU 19 -21.293 -6.436 1.608 139 1HD2 LEU 19 1HD2 LEU 19 -19.407 -3.362 -0.144 140 2HD2 LEU 19 2HD2 LEU 19 -21.090 -3.882 -0.005 141 3HD2 LEU 19 3HD2 LEU 19 -20.315 -3.038 1.336 142 H VAL 20 H VAL 20 -16.900 -2.506 3.066 143 HA VAL 20 HA VAL 20 -14.365 -3.639 3.767 144 HB VAL 20 HB VAL 20 -13.194 -2.861 1.962 145 1HG1 VAL 20 1HG1 VAL 20 -15.545 -1.023 1.606 146 2HG1 VAL 20 2HG1 VAL 20 -14.061 -0.733 0.705 147 3HG1 VAL 20 3HG1 VAL 20 -14.924 -2.253 0.510 148 1HG2 VAL 20 1HG2 VAL 20 -13.625 -0.261 3.459 149 2HG2 VAL 20 2HG2 VAL 20 -12.297 -1.412 3.676 150 3HG2 VAL 20 3HG2 VAL 20 -12.433 -0.492 2.177 151 H GLU 21 H GLU 21 -13.386 -2.438 5.562 152 HA GLU 21 HA GLU 21 -14.759 0.026 6.441 153 1HB GLU 21 1HB GLU 21 -15.044 -1.139 8.773 154 2HB GLU 21 2HB GLU 21 -16.254 -1.413 7.527 155 1HG GLU 21 1HG GLU 21 -15.787 -3.579 8.303 156 2HG GLU 21 2HG GLU 21 -14.799 -3.446 6.852 157 H LYS 22 H LYS 22 -12.258 -2.434 7.080 158 HA LYS 22 HA LYS 22 -10.817 -0.400 8.709 159 1HB LYS 22 1HB LYS 22 -11.325 -3.056 9.225 160 2HB LYS 22 2HB LYS 22 -9.681 -3.105 8.588 161 1HG LYS 22 1HG LYS 22 -9.097 -2.576 10.722 162 2HG LYS 22 2HG LYS 22 -9.527 -0.939 10.226 163 1HD LYS 22 1HD LYS 22 -10.694 -1.393 12.287 164 2HD LYS 22 2HD LYS 22 -11.885 -1.418 10.984 165 1HE LYS 22 1HE LYS 22 -12.479 -3.451 11.787 166 2HE LYS 22 2HE LYS 22 -10.989 -4.036 11.046 167 1HZ LYS 22 1HZ LYS 22 -10.833 -2.818 13.704 168 2HZ LYS 22 2HZ LYS 22 -11.470 -4.385 13.583 169 3HZ LYS 22 3HZ LYS 22 -9.898 -4.063 13.026 170 H ILE 23 H ILE 23 -10.309 0.609 6.475 171 HA ILE 23 HA ILE 23 -8.046 -0.838 5.158 172 HB ILE 23 HB ILE 23 -8.408 0.490 3.233 173 1HG1 ILE 23 1HG1 ILE 23 -10.188 2.293 4.902 174 2HG1 ILE 23 2HG1 ILE 23 -8.525 2.666 4.448 175 1HG2 ILE 23 1HG2 ILE 23 -10.592 -0.850 4.461 176 2HG2 ILE 23 2HG2 ILE 23 -11.236 0.599 3.686 177 3HG2 ILE 23 3HG2 ILE 23 -10.318 -0.574 2.741 178 1HD1 ILE 23 1HD1 ILE 23 -9.231 2.355 2.029 179 2HD1 ILE 23 2HD1 ILE 23 -10.898 2.299 2.604 180 3HD1 ILE 23 3HD1 ILE 23 -9.933 3.757 2.837 181 H GLN 24 H GLN 24 -5.979 0.119 5.126 182 HA GLN 24 HA GLN 24 -5.663 2.826 6.265 183 1HB GLN 24 1HB GLN 24 -4.111 2.119 7.997 184 2HB GLN 24 2HB GLN 24 -5.629 1.249 8.210 185 1HG GLN 24 1HG GLN 24 -4.680 -0.695 7.012 186 2HG GLN 24 2HG GLN 24 -3.157 0.173 6.824 187 1HE2 GLN 24 2HE2 GLN 24 -1.650 -0.336 8.406 188 2HE2 GLN 24 1HE2 GLN 24 -2.019 -0.835 9.986 189 H VAL 25 H VAL 25 -4.135 3.870 5.093 190 HA VAL 25 HA VAL 25 -2.342 2.245 3.374 191 HB VAL 25 HB VAL 25 -1.899 4.572 2.361 192 1HG1 VAL 25 1HG1 VAL 25 -4.366 2.919 2.228 193 2HG1 VAL 25 2HG1 VAL 25 -4.446 4.509 1.470 194 3HG1 VAL 25 3HG1 VAL 25 -3.229 3.344 0.949 195 1HG2 VAL 25 1HG2 VAL 25 -2.952 5.644 4.486 196 2HG2 VAL 25 2HG2 VAL 25 -3.338 6.352 2.918 197 3HG2 VAL 25 3HG2 VAL 25 -4.495 5.284 3.712 198 H THR 26 H THR 26 -0.367 1.852 4.241 199 HA THR 26 HA THR 26 0.758 3.811 6.175 200 HB THR 26 HB THR 26 1.573 0.971 5.492 201 HG1 THR 26 HG1 THR 26 0.375 2.142 7.781 202 1HG2 THR 26 1HG2 THR 26 3.212 2.966 6.455 203 2HG2 THR 26 2HG2 THR 26 2.624 2.210 7.936 204 3HG2 THR 26 3HG2 THR 26 3.455 1.239 6.722 205 H GLY 27 H GLY 27 1.908 5.371 5.132 206 1HA GLY 27 1HA GLY 27 3.791 4.474 2.984 207 2HA GLY 27 2HA GLY 27 2.976 6.038 2.942 208 H SER 28 H SER 28 3.708 7.705 4.335 209 HA SER 28 HA SER 28 6.145 7.092 5.943 210 1HB SER 28 1HB SER 28 6.338 8.293 3.500 211 2HB SER 28 2HB SER 28 6.134 9.699 4.540 212 HG SER 28 HG SER 28 7.956 9.191 5.602 213 H GLU 29 H GLU 29 4.227 10.000 5.096 214 HA GLU 29 HA GLU 29 4.246 10.796 7.932 215 1HB GLU 29 1HB GLU 29 3.839 12.107 5.365 216 2HB GLU 29 2HB GLU 29 2.580 12.548 6.519 217 1HG GLU 29 1HG GLU 29 5.179 12.507 7.805 218 2HG GLU 29 2HG GLU 29 5.192 13.582 6.408 219 H GLY 30 H GLY 30 2.544 10.489 9.309 220 1HA GLY 30 1HA GLY 30 0.373 9.964 10.049 221 2HA GLY 30 2HA GLY 30 -0.197 10.257 8.405 222 H GLU 31 H GLU 31 -1.455 8.197 9.351 223 HA GLU 31 HA GLU 31 -0.577 5.954 7.792 224 1HB GLU 31 1HB GLU 31 0.626 6.151 10.360 225 2HB GLU 31 2HB GLU 31 -0.554 4.843 10.442 226 1HG GLU 31 1HG GLU 31 1.105 3.593 9.514 227 2HG GLU 31 2HG GLU 31 0.602 4.362 8.008 228 H LEU 32 H LEU 32 -2.930 6.758 7.423 229 HA LEU 32 HA LEU 32 -4.702 4.873 8.846 230 1HB LEU 32 1HB LEU 32 -4.913 7.855 9.061 231 2HB LEU 32 2HB LEU 32 -6.403 6.904 8.980 232 HG LEU 32 HG LEU 32 -4.173 6.230 10.909 233 1HD1 LEU 32 1HD1 LEU 32 -5.728 8.579 10.950 234 2HD1 LEU 32 2HD1 LEU 32 -6.469 7.502 12.133 235 3HD1 LEU 32 3HD1 LEU 32 -4.762 7.925 12.271 236 1HD2 LEU 32 1HD2 LEU 32 -6.480 4.894 10.130 237 2HD2 LEU 32 2HD2 LEU 32 -5.588 4.609 11.624 238 3HD2 LEU 32 3HD2 LEU 32 -6.969 5.705 11.617 239 H GLY 33 H GLY 33 -6.430 4.234 7.565 240 1HA GLY 33 1HA GLY 33 -6.402 5.298 4.783 241 2HA GLY 33 2HA GLY 33 -7.044 3.723 5.261 242 H ILE 34 H ILE 34 -9.168 3.586 5.936 243 HA ILE 34 HA ILE 34 -10.653 5.976 6.697 244 HB ILE 34 HB ILE 34 -11.104 4.619 4.030 245 1HG1 ILE 34 1HG1 ILE 34 -9.716 6.629 4.053 246 2HG1 ILE 34 2HG1 ILE 34 -11.276 7.017 3.328 247 1HG2 ILE 34 1HG2 ILE 34 -13.188 5.174 5.817 248 2HG2 ILE 34 2HG2 ILE 34 -13.119 6.598 4.787 249 3HG2 ILE 34 3HG2 ILE 34 -13.339 5.007 4.070 250 1HD1 ILE 34 1HD1 ILE 34 -11.871 7.487 5.909 251 2HD1 ILE 34 2HD1 ILE 34 -10.144 7.865 5.946 252 3HD1 ILE 34 3HD1 ILE 34 -11.217 8.738 4.844 253 H TYR 35 H TYR 35 -12.409 5.458 7.914 254 HA TYR 35 HA TYR 35 -13.146 2.570 8.129 255 1HB TYR 35 1HB TYR 35 -13.591 3.803 10.647 256 2HB TYR 35 2HB TYR 35 -12.398 2.566 10.266 257 HD1 TYR 35 HD1 TYR 35 -10.268 3.633 8.870 258 HD2 TYR 35 HD2 TYR 35 -12.781 5.708 11.671 259 HE1 TYR 35 HE1 TYR 35 -8.465 5.283 9.263 260 HE2 TYR 35 HE2 TYR 35 -10.975 7.361 12.062 261 HH TYR 35 HH TYR 35 -8.716 7.710 11.789 262 HA PRO 36 HA PRO 36 -17.312 3.960 8.077 263 1HB PRO 36 1HB PRO 36 -18.507 2.679 10.202 264 2HB PRO 36 2HB PRO 36 -18.045 1.867 8.695 265 1HG PRO 36 1HG PRO 36 -16.719 1.765 11.367 266 2HG PRO 36 2HG PRO 36 -16.734 0.553 10.075 267 1HD PRO 36 1HD PRO 36 -14.604 2.301 10.652 268 2HD PRO 36 2HD PRO 36 -14.796 1.373 9.152 269 H GLY 37 H GLY 37 -16.449 6.177 8.762 270 1HA GLY 37 1HA GLY 37 -17.995 7.730 10.267 271 2HA GLY 37 2HA GLY 37 -17.109 6.916 11.557 272 H HIS 38 H HIS 38 -15.805 7.893 8.397 273 HA HIS 38 HA HIS 38 -13.869 9.623 9.878 274 1HB HIS 38 1HB HIS 38 -13.258 7.590 8.205 275 2HB HIS 38 2HB HIS 38 -13.372 8.903 7.033 276 HD1 HIS 38 HD1 HIS 38 -11.144 9.937 6.660 277 HD2 HIS 38 HD2 HIS 38 -11.624 8.743 10.626 278 HE1 HIS 38 HE1 HIS 38 -9.021 10.602 7.871 279 H ALA 39 H ALA 39 -13.030 11.469 8.321 280 HA ALA 39 HA ALA 39 -15.451 12.929 7.434 281 1HB ALA 39 1HB ALA 39 -12.957 13.663 8.638 282 2HB ALA 39 2HB ALA 39 -13.081 14.478 7.078 283 3HB ALA 39 3HB ALA 39 -14.345 14.693 8.288 284 HA PRO 40 HA PRO 40 -14.541 12.555 3.157 285 1HB PRO 40 1HB PRO 40 -15.245 15.044 2.230 286 2HB PRO 40 2HB PRO 40 -16.422 13.825 2.750 287 1HG PRO 40 1HG PRO 40 -15.544 16.305 4.155 288 2HG PRO 40 2HG PRO 40 -17.079 15.428 4.279 289 1HD PRO 40 1HD PRO 40 -14.947 15.313 6.140 290 2HD PRO 40 2HD PRO 40 -16.337 14.209 6.076 291 H LEU 41 H LEU 41 -12.137 12.447 3.549 292 HA LEU 41 HA LEU 41 -10.656 14.974 3.161 293 1HB LEU 41 1HB LEU 41 -8.683 13.705 3.662 294 2HB LEU 41 2HB LEU 41 -9.925 13.157 4.789 295 HG LEU 41 HG LEU 41 -10.302 11.527 2.570 296 1HD1 LEU 41 1HD1 LEU 41 -7.538 12.492 2.666 297 2HD1 LEU 41 2HD1 LEU 41 -7.649 10.734 2.757 298 3HD1 LEU 41 3HD1 LEU 41 -8.369 11.594 1.395 299 1HD2 LEU 41 1HD2 LEU 41 -10.396 10.870 4.952 300 2HD2 LEU 41 2HD2 LEU 41 -9.364 9.772 4.035 301 3HD2 LEU 41 3HD2 LEU 41 -8.641 11.012 5.059 302 H LEU 42 H LEU 42 -9.489 15.462 1.300 303 HA LEU 42 HA LEU 42 -9.721 13.528 -0.969 304 1HB LEU 42 1HB LEU 42 -10.507 16.396 -0.798 305 2HB LEU 42 2HB LEU 42 -9.711 15.880 -2.285 306 HG LEU 42 HG LEU 42 -11.929 14.199 -1.169 307 1HD1 LEU 42 1HD1 LEU 42 -12.749 16.567 -1.198 308 2HD1 LEU 42 2HD1 LEU 42 -12.347 16.645 -2.913 309 3HD1 LEU 42 3HD1 LEU 42 -13.592 15.531 -2.350 310 1HD2 LEU 42 1HD2 LEU 42 -10.313 13.863 -3.285 311 2HD2 LEU 42 2HD2 LEU 42 -11.993 13.329 -3.305 312 3HD2 LEU 42 3HD2 LEU 42 -11.545 14.862 -4.054 313 H THR 43 H THR 43 -7.474 13.076 0.033 314 HA THR 43 HA THR 43 -5.483 15.066 -0.971 315 HB THR 43 HB THR 43 -3.928 14.182 0.636 316 HG1 THR 43 HG1 THR 43 -4.225 12.295 1.620 317 1HG2 THR 43 1HG2 THR 43 -6.682 14.846 1.539 318 2HG2 THR 43 2HG2 THR 43 -5.600 14.160 2.752 319 3HG2 THR 43 3HG2 THR 43 -5.152 15.643 1.908 320 H ALA 44 H ALA 44 -3.280 13.271 -0.994 321 HA ALA 44 HA ALA 44 -3.984 11.682 -3.412 322 1HB ALA 44 1HB ALA 44 -2.140 13.343 -3.598 323 2HB ALA 44 2HB ALA 44 -1.260 12.477 -2.339 324 3HB ALA 44 3HB ALA 44 -1.580 11.695 -3.887 325 H ILE 45 H ILE 45 -2.569 9.596 -3.593 326 HA ILE 45 HA ILE 45 -2.900 8.126 -1.028 327 HB ILE 45 HB ILE 45 -3.928 7.387 -3.311 328 1HG1 ILE 45 1HG1 ILE 45 -2.422 5.094 -2.218 329 2HG1 ILE 45 2HG1 ILE 45 -3.269 6.058 -1.008 330 1HG2 ILE 45 1HG2 ILE 45 -1.064 6.429 -3.610 331 2HG2 ILE 45 2HG2 ILE 45 -2.413 5.938 -4.634 332 3HG2 ILE 45 3HG2 ILE 45 -1.870 7.615 -4.635 333 1HD1 ILE 45 1HD1 ILE 45 -5.307 5.918 -2.583 334 2HD1 ILE 45 2HD1 ILE 45 -4.427 4.628 -3.403 335 3HD1 ILE 45 3HD1 ILE 45 -4.871 4.453 -1.705 336 H LYS 46 H LYS 46 -1.115 7.549 0.120 337 HA LYS 46 HA LYS 46 1.542 8.181 -0.942 338 1HB LYS 46 1HB LYS 46 0.590 7.035 1.695 339 2HB LYS 46 2HB LYS 46 2.291 7.316 1.321 340 1HG LYS 46 1HG LYS 46 1.840 9.358 2.264 341 2HG LYS 46 2HG LYS 46 1.296 9.723 0.626 342 1HD LYS 46 1HD LYS 46 -0.782 10.089 1.400 343 2HD LYS 46 2HD LYS 46 -0.852 8.427 1.987 344 1HE LYS 46 1HE LYS 46 0.533 9.299 3.998 345 2HE LYS 46 2HE LYS 46 0.027 10.902 3.465 346 1HZ LYS 46 1HZ LYS 46 -2.134 9.025 3.535 347 2HZ LYS 46 2HZ LYS 46 -1.405 9.224 5.056 348 3HZ LYS 46 3HZ LYS 46 -2.020 10.571 4.231 349 HA PRO 47 HA PRO 47 2.579 4.127 -2.266 350 1HB PRO 47 1HB PRO 47 5.306 4.246 -1.940 351 2HB PRO 47 2HB PRO 47 4.442 5.068 -3.250 352 1HG PRO 47 1HG PRO 47 5.651 6.228 -0.783 353 2HG PRO 47 2HG PRO 47 5.362 6.990 -2.355 354 1HD PRO 47 1HD PRO 47 3.777 7.329 -0.033 355 2HD PRO 47 2HD PRO 47 3.326 7.805 -1.685 356 H GLY 48 H GLY 48 4.009 2.171 -1.480 357 1HA GLY 48 1HA GLY 48 5.081 1.136 0.520 358 2HA GLY 48 2HA GLY 48 3.950 2.061 1.510 359 H MET 49 H MET 49 2.621 0.551 2.433 360 HA MET 49 HA MET 49 1.254 -1.345 0.568 361 1HB MET 49 1HB MET 49 1.368 -3.100 2.205 362 2HB MET 49 2HB MET 49 3.000 -2.453 2.043 363 1HG MET 49 1HG MET 49 2.546 -0.977 4.022 364 2HG MET 49 2HG MET 49 1.000 -1.801 4.225 365 1HE MET 49 1HE MET 49 0.628 -3.069 5.674 366 2HE MET 49 2HE MET 49 1.004 -4.717 5.180 367 3HE MET 49 3HE MET 49 1.670 -4.082 6.682 368 H ILE 50 H ILE 50 -0.708 -2.358 2.042 369 HA ILE 50 HA ILE 50 -1.935 -0.255 3.710 370 HB ILE 50 HB ILE 50 -2.654 0.486 1.535 371 1HG1 ILE 50 1HG1 ILE 50 -4.754 -1.163 2.969 372 2HG1 ILE 50 2HG1 ILE 50 -4.464 0.570 3.108 373 1HG2 ILE 50 1HG2 ILE 50 -2.384 -2.244 0.871 374 2HG2 ILE 50 2HG2 ILE 50 -4.088 -1.856 0.623 375 3HG2 ILE 50 3HG2 ILE 50 -2.839 -0.927 -0.209 376 1HD1 ILE 50 1HD1 ILE 50 -4.869 0.067 0.361 377 2HD1 ILE 50 2HD1 ILE 50 -6.124 -0.832 1.214 378 3HD1 ILE 50 3HD1 ILE 50 -5.958 0.906 1.466 379 H ARG 51 H ARG 51 -3.116 -1.209 5.309 380 HA ARG 51 HA ARG 51 -3.647 -4.131 5.075 381 1HB ARG 51 1HB ARG 51 -2.557 -2.716 7.145 382 2HB ARG 51 2HB ARG 51 -4.257 -2.727 7.616 383 1HG ARG 51 1HG ARG 51 -4.065 -4.861 8.294 384 2HG ARG 51 2HG ARG 51 -3.587 -5.339 6.664 385 1HD ARG 51 1HD ARG 51 -1.360 -5.367 7.179 386 2HD ARG 51 2HD ARG 51 -1.493 -3.991 8.275 387 HE ARG 51 HE ARG 51 -2.821 -6.245 9.436 388 1HH1 ARG 51 1HH1 ARG 51 -0.123 -4.297 9.650 389 2HH1 ARG 51 2HH1 ARG 51 0.881 -5.457 10.455 390 1HH2 ARG 51 1HH2 ARG 51 -1.349 -8.078 10.027 391 2HH2 ARG 51 2HH2 ARG 51 0.187 -7.598 10.669 392 H ILE 52 H ILE 52 -5.734 -4.776 4.685 393 HA ILE 52 HA ILE 52 -7.900 -2.820 5.295 394 HB ILE 52 HB ILE 52 -6.918 -3.291 2.783 395 1HG1 ILE 52 1HG1 ILE 52 -9.735 -2.520 3.557 396 2HG1 ILE 52 2HG1 ILE 52 -8.348 -1.435 3.415 397 1HG2 ILE 52 1HG2 ILE 52 -8.068 -5.636 3.088 398 2HG2 ILE 52 2HG2 ILE 52 -9.547 -4.734 2.754 399 3HG2 ILE 52 3HG2 ILE 52 -8.241 -4.767 1.565 400 1HD1 ILE 52 1HD1 ILE 52 -8.409 -2.901 1.018 401 2HD1 ILE 52 2HD1 ILE 52 -10.080 -2.432 1.329 402 3HD1 ILE 52 3HD1 ILE 52 -8.822 -1.198 1.231 403 H VAL 53 H VAL 53 -9.881 -3.719 5.910 404 HA VAL 53 HA VAL 53 -9.984 -6.698 6.095 405 HB VAL 53 HB VAL 53 -10.693 -4.637 8.194 406 1HG1 VAL 53 1HG1 VAL 53 -11.439 -7.575 8.093 407 2HG1 VAL 53 2HG1 VAL 53 -11.666 -6.516 9.484 408 3HG1 VAL 53 3HG1 VAL 53 -12.563 -6.221 7.994 409 1HG2 VAL 53 1HG2 VAL 53 -8.435 -6.239 7.732 410 2HG2 VAL 53 2HG2 VAL 53 -8.824 -5.379 9.223 411 3HG2 VAL 53 3HG2 VAL 53 -9.315 -7.061 9.021 412 H LYS 54 H LYS 54 -11.604 -7.304 4.754 413 HA LYS 54 HA LYS 54 -13.670 -5.540 3.831 414 1HB LYS 54 1HB LYS 54 -13.492 -8.566 3.794 415 2HB LYS 54 2HB LYS 54 -14.690 -7.623 2.907 416 1HG LYS 54 1HG LYS 54 -12.698 -6.372 1.874 417 2HG LYS 54 2HG LYS 54 -11.697 -7.675 2.514 418 1HD LYS 54 1HD LYS 54 -13.969 -8.843 1.226 419 2HD LYS 54 2HD LYS 54 -13.247 -7.674 0.120 420 1HE LYS 54 1HE LYS 54 -10.988 -8.757 0.763 421 2HE LYS 54 2HE LYS 54 -11.960 -10.080 1.405 422 1HZ LYS 54 1HZ LYS 54 -12.958 -9.425 -1.117 423 2HZ LYS 54 2HZ LYS 54 -11.270 -9.562 -1.261 424 3HZ LYS 54 3HZ LYS 54 -12.181 -10.855 -0.640 425 H GLN 55 H GLN 55 -15.985 -5.731 4.264 426 HA GLN 55 HA GLN 55 -16.637 -5.789 7.039 427 1HB GLN 55 1HB GLN 55 -17.992 -4.625 5.308 428 2HB GLN 55 2HB GLN 55 -18.502 -6.192 4.681 429 1HG GLN 55 1HG GLN 55 -19.151 -6.584 7.245 430 2HG GLN 55 2HG GLN 55 -19.277 -4.825 7.220 431 1HE2 GLN 55 2HE2 GLN 55 -21.469 -4.345 6.966 432 2HE2 GLN 55 1HE2 GLN 55 -22.493 -5.071 5.823 433 H HIS 56 H HIS 56 -17.790 -8.110 4.559 434 HA HIS 56 HA HIS 56 -17.610 -10.232 6.663 435 1HB HIS 56 1HB HIS 56 -19.963 -9.341 5.756 436 2HB HIS 56 2HB HIS 56 -19.606 -10.471 4.451 437 HD1 HIS 56 HD1 HIS 56 -21.331 -10.438 7.517 438 HD2 HIS 56 HD2 HIS 56 -18.609 -13.105 5.827 439 HE1 HIS 56 HE1 HIS 56 -21.649 -12.645 8.718 440 H GLY 57 H GLY 57 -15.763 -11.299 6.006 441 1HA GLY 57 1HA GLY 57 -15.688 -13.184 4.018 442 2HA GLY 57 2HA GLY 57 -15.185 -11.721 3.168 443 H HIS 58 H HIS 58 -13.079 -11.033 3.411 444 HA HIS 58 HA HIS 58 -11.479 -12.061 5.679 445 1HB HIS 58 1HB HIS 58 -10.695 -12.534 2.785 446 2HB HIS 58 2HB HIS 58 -9.722 -12.942 4.198 447 HD1 HIS 58 HD1 HIS 58 -10.171 -15.162 5.291 448 HD2 HIS 58 HD2 HIS 58 -13.226 -14.062 2.677 449 HE1 HIS 58 HE1 HIS 58 -11.732 -17.151 5.138 450 H GLU 59 H GLU 59 -9.377 -10.935 5.831 451 HA GLU 59 HA GLU 59 -9.566 -8.189 4.690 452 1HB GLU 59 1HB GLU 59 -7.793 -7.705 6.462 453 2HB GLU 59 2HB GLU 59 -9.378 -8.164 7.083 454 1HG GLU 59 1HG GLU 59 -8.660 -10.263 7.762 455 2HG GLU 59 2HG GLU 59 -7.364 -10.319 6.567 456 H GLU 60 H GLU 60 -7.987 -7.441 3.279 457 HA GLU 60 HA GLU 60 -5.579 -9.170 2.902 458 1HB GLU 60 1HB GLU 60 -6.964 -7.882 0.559 459 2HB GLU 60 2HB GLU 60 -5.846 -9.248 0.571 460 1HG GLU 60 1HG GLU 60 -7.617 -10.517 1.900 461 2HG GLU 60 2HG GLU 60 -8.725 -9.204 1.500 462 H PHE 61 H PHE 61 -3.707 -8.033 2.165 463 HA PHE 61 HA PHE 61 -3.901 -5.069 2.511 464 1HB PHE 61 1HB PHE 61 -1.274 -5.459 2.736 465 2HB PHE 61 2HB PHE 61 -2.349 -5.708 4.114 466 HD1 PHE 61 HD1 PHE 61 -0.430 -7.381 1.434 467 HD2 PHE 61 HD2 PHE 61 -2.814 -7.925 4.965 468 HE1 PHE 61 HE1 PHE 61 0.268 -9.758 1.539 469 HE2 PHE 61 HE2 PHE 61 -2.115 -10.302 5.071 470 HZ PHE 61 HZ PHE 61 -0.573 -11.219 3.359 471 H ILE 62 H ILE 62 -3.408 -3.804 0.763 472 HA ILE 62 HA ILE 62 -2.401 -5.193 -1.672 473 HB ILE 62 HB ILE 62 -3.429 -2.373 -1.684 474 1HG1 ILE 62 1HG1 ILE 62 -5.070 -4.903 -1.413 475 2HG1 ILE 62 2HG1 ILE 62 -5.142 -3.460 -0.402 476 1HG2 ILE 62 1HG2 ILE 62 -2.666 -4.348 -3.590 477 2HG2 ILE 62 2HG2 ILE 62 -4.404 -4.102 -3.757 478 3HG2 ILE 62 3HG2 ILE 62 -3.301 -2.733 -3.903 479 1HD1 ILE 62 1HD1 ILE 62 -5.592 -2.469 -2.955 480 2HD1 ILE 62 2HD1 ILE 62 -6.460 -4.005 -2.959 481 3HD1 ILE 62 3HD1 ILE 62 -6.833 -2.783 -1.743 482 H TYR 63 H TYR 63 -1.190 -3.315 -3.103 483 HA TYR 63 HA TYR 63 0.671 -1.759 -1.426 484 1HB TYR 63 1HB TYR 63 1.864 -3.823 -1.400 485 2HB TYR 63 2HB TYR 63 1.495 -4.143 -3.094 486 HD1 TYR 63 HD1 TYR 63 2.501 -2.668 -4.880 487 HD2 TYR 63 HD2 TYR 63 3.762 -2.531 -0.776 488 HE1 TYR 63 HE1 TYR 63 4.586 -1.514 -5.562 489 HE2 TYR 63 HE2 TYR 63 5.848 -1.375 -1.455 490 HH TYR 63 HH TYR 63 7.231 -1.362 -3.890 491 H LEU 64 H LEU 64 1.359 0.059 -2.545 492 HA LEU 64 HA LEU 64 1.426 0.107 -5.465 493 1HB LEU 64 1HB LEU 64 -0.251 2.126 -5.414 494 2HB LEU 64 2HB LEU 64 -0.882 0.480 -5.445 495 HG LEU 64 HG LEU 64 -0.914 0.582 -2.897 496 1HD1 LEU 64 1HD1 LEU 64 -0.424 3.502 -3.542 497 2HD1 LEU 64 2HD1 LEU 64 -1.030 2.931 -1.986 498 3HD1 LEU 64 3HD1 LEU 64 0.576 2.452 -2.538 499 1HD2 LEU 64 1HD2 LEU 64 -2.884 0.975 -4.525 500 2HD2 LEU 64 2HD2 LEU 64 -3.075 1.557 -2.871 501 3HD2 LEU 64 3HD2 LEU 64 -2.671 2.688 -4.163 502 H SER 65 H SER 65 1.680 2.614 -6.113 503 HA SER 65 HA SER 65 2.978 4.257 -4.077 504 1HB SER 65 1HB SER 65 4.981 3.167 -4.361 505 2HB SER 65 2HB SER 65 4.550 2.578 -5.963 506 HG SER 65 HG SER 65 6.192 4.252 -5.912 507 H GLY 66 H GLY 66 2.113 6.197 -4.649 508 1HA GLY 66 1HA GLY 66 2.046 8.143 -6.060 509 2HA GLY 66 2HA GLY 66 2.476 7.127 -7.437 510 H GLY 67 H GLY 67 0.076 9.006 -6.588 511 1HA GLY 67 1HA GLY 67 -1.899 8.385 -8.266 512 2HA GLY 67 2HA GLY 67 -2.151 7.108 -7.075 513 H ILE 68 H ILE 68 -4.284 8.190 -6.755 514 HA ILE 68 HA ILE 68 -4.025 10.328 -4.700 515 HB ILE 68 HB ILE 68 -5.990 10.381 -7.012 516 1HG1 ILE 68 1HG1 ILE 68 -3.793 12.357 -6.350 517 2HG1 ILE 68 2HG1 ILE 68 -3.559 11.021 -7.477 518 1HG2 ILE 68 1HG2 ILE 68 -5.659 12.019 -4.508 519 2HG2 ILE 68 2HG2 ILE 68 -6.356 12.741 -5.958 520 3HG2 ILE 68 3HG2 ILE 68 -7.135 11.350 -5.206 521 1HD1 ILE 68 1HD1 ILE 68 -5.886 12.910 -7.792 522 2HD1 ILE 68 2HD1 ILE 68 -4.298 13.316 -8.445 523 3HD1 ILE 68 3HD1 ILE 68 -5.139 11.870 -9.005 524 H LEU 69 H LEU 69 -5.561 10.150 -3.041 525 HA LEU 69 HA LEU 69 -7.491 7.883 -3.315 526 1HB LEU 69 1HB LEU 69 -7.009 7.127 -1.145 527 2HB LEU 69 2HB LEU 69 -5.419 7.582 -1.753 528 HG LEU 69 HG LEU 69 -6.097 9.945 -0.715 529 1HD1 LEU 69 1HD1 LEU 69 -8.333 8.597 -0.034 530 2HD1 LEU 69 2HD1 LEU 69 -7.341 8.233 1.378 531 3HD1 LEU 69 3HD1 LEU 69 -7.680 9.910 0.948 532 1HD2 LEU 69 1HD2 LEU 69 -4.431 7.828 0.003 533 2HD2 LEU 69 2HD2 LEU 69 -4.416 9.440 0.718 534 3HD2 LEU 69 3HD2 LEU 69 -5.352 8.151 1.472 535 H GLU 70 H GLU 70 -9.581 8.304 -2.640 536 HA GLU 70 HA GLU 70 -10.104 10.818 -1.147 537 1HB GLU 70 1HB GLU 70 -11.828 11.521 -2.727 538 2HB GLU 70 2HB GLU 70 -10.295 11.344 -3.582 539 1HG GLU 70 1HG GLU 70 -10.983 9.450 -4.714 540 2HG GLU 70 2HG GLU 70 -12.097 8.963 -3.435 541 H VAL 71 H VAL 71 -12.101 10.761 0.016 542 HA VAL 71 HA VAL 71 -13.270 8.017 0.203 543 HB VAL 71 HB VAL 71 -12.255 8.730 2.288 544 1HG1 VAL 71 1HG1 VAL 71 -13.985 11.199 1.951 545 2HG1 VAL 71 2HG1 VAL 71 -13.088 10.806 3.418 546 3HG1 VAL 71 3HG1 VAL 71 -12.223 11.136 1.917 547 1HG2 VAL 71 1HG2 VAL 71 -14.813 7.828 2.047 548 2HG2 VAL 71 2HG2 VAL 71 -14.011 8.074 3.598 549 3HG2 VAL 71 3HG2 VAL 71 -15.086 9.316 2.953 550 H GLN 72 H GLN 72 -15.416 7.758 -0.240 551 HA GLN 72 HA GLN 72 -16.955 10.202 -0.970 552 1HB GLN 72 1HB GLN 72 -16.751 7.518 -2.042 553 2HB GLN 72 2HB GLN 72 -18.429 7.896 -1.651 554 1HG GLN 72 1HG GLN 72 -18.222 10.022 -2.924 555 2HG GLN 72 2HG GLN 72 -16.572 9.578 -3.361 556 1HE2 GLN 72 2HE2 GLN 72 -16.430 7.278 -4.445 557 2HE2 GLN 72 1HE2 GLN 72 -17.656 6.903 -5.558 558 HA PRO 73 HA PRO 73 -19.860 9.656 2.280 559 1HB PRO 73 1HB PRO 73 -22.289 9.905 1.012 560 2HB PRO 73 2HB PRO 73 -21.194 11.267 1.308 561 1HG PRO 73 1HG PRO 73 -21.748 9.822 -1.245 562 2HG PRO 73 2HG PRO 73 -21.229 11.497 -0.993 563 1HD PRO 73 1HD PRO 73 -19.562 9.361 -1.788 564 2HD PRO 73 2HD PRO 73 -19.010 10.936 -1.175 565 H GLY 74 H GLY 74 -19.194 7.287 2.420 566 1HA GLY 74 1HA GLY 74 -20.339 5.246 3.120 567 2HA GLY 74 2HA GLY 74 -21.567 5.561 1.892 568 H ASN 75 H ASN 75 -18.421 6.203 0.791 569 HA ASN 75 HA ASN 75 -17.888 3.466 -0.151 570 1HB ASN 75 1HB ASN 75 -18.510 5.724 -2.082 571 2HB ASN 75 2HB ASN 75 -17.887 4.138 -2.539 572 1HD2 ASN 75 2HD2 ASN 75 -20.768 5.908 -1.861 573 2HD2 ASN 75 1HD2 ASN 75 -21.839 4.591 -1.858 574 H VAL 76 H VAL 76 -15.955 3.911 -1.994 575 HA VAL 76 HA VAL 76 -14.197 6.108 -1.308 576 HB VAL 76 HB VAL 76 -13.815 3.397 -0.063 577 1HG1 VAL 76 1HG1 VAL 76 -11.627 5.305 -0.921 578 2HG1 VAL 76 2HG1 VAL 76 -11.398 4.063 0.310 579 3HG1 VAL 76 3HG1 VAL 76 -11.795 3.602 -1.346 580 1HG2 VAL 76 1HG2 VAL 76 -14.025 6.214 0.754 581 2HG2 VAL 76 2HG2 VAL 76 -14.355 4.749 1.678 582 3HG2 VAL 76 3HG2 VAL 76 -12.702 5.350 1.539 583 H THR 77 H THR 77 -12.394 6.177 -2.755 584 HA THR 77 HA THR 77 -11.909 3.947 -4.589 585 HB THR 77 HB THR 77 -12.321 5.840 -6.499 586 HG1 THR 77 HG1 THR 77 -14.700 6.215 -5.293 587 1HG2 THR 77 1HG2 THR 77 -13.304 3.371 -5.889 588 2HG2 THR 77 2HG2 THR 77 -14.765 4.351 -5.758 589 3HG2 THR 77 3HG2 THR 77 -13.847 4.333 -7.264 590 H VAL 78 H VAL 78 -9.861 4.135 -5.531 591 HA VAL 78 HA VAL 78 -8.467 6.734 -5.414 592 HB VAL 78 HB VAL 78 -6.680 5.997 -4.014 593 1HG1 VAL 78 1HG1 VAL 78 -8.826 6.603 -2.855 594 2HG1 VAL 78 2HG1 VAL 78 -9.220 4.886 -2.787 595 3HG1 VAL 78 3HG1 VAL 78 -7.812 5.502 -1.923 596 1HG2 VAL 78 1HG2 VAL 78 -6.557 3.692 -4.978 597 2HG2 VAL 78 2HG2 VAL 78 -6.475 3.693 -3.216 598 3HG2 VAL 78 3HG2 VAL 78 -7.976 3.250 -4.029 599 H LEU 79 H LEU 79 -6.952 6.900 -7.036 600 HA LEU 79 HA LEU 79 -6.548 4.466 -8.718 601 1HB LEU 79 1HB LEU 79 -6.016 7.327 -9.542 602 2HB LEU 79 2HB LEU 79 -6.236 5.919 -10.582 603 HG LEU 79 HG LEU 79 -8.559 6.017 -9.018 604 1HD1 LEU 79 1HD1 LEU 79 -7.453 8.721 -9.578 605 2HD1 LEU 79 2HD1 LEU 79 -9.167 8.487 -9.921 606 3HD1 LEU 79 3HD1 LEU 79 -8.546 8.195 -8.297 607 1HD2 LEU 79 1HD2 LEU 79 -7.979 5.602 -11.583 608 2HD2 LEU 79 2HD2 LEU 79 -9.602 6.085 -11.088 609 3HD2 LEU 79 3HD2 LEU 79 -8.481 7.287 -11.728 610 H ALA 80 H ALA 80 -4.349 4.230 -9.683 611 HA ALA 80 HA ALA 80 -2.186 5.690 -8.290 612 1HB ALA 80 1HB ALA 80 -2.919 2.855 -7.788 613 2HB ALA 80 2HB ALA 80 -1.200 3.189 -7.994 614 3HB ALA 80 3HB ALA 80 -2.113 4.013 -6.730 615 H ASP 81 H ASP 81 0.016 4.722 -9.151 616 HA ASP 81 HA ASP 81 -0.272 4.558 -12.101 617 1HB ASP 81 1HB ASP 81 1.425 6.037 -10.518 618 2HB ASP 81 2HB ASP 81 2.444 4.669 -10.965 619 H THR 82 H THR 82 1.574 2.949 -9.483 620 HA THR 82 HA THR 82 1.883 0.592 -11.280 621 HB THR 82 HB THR 82 3.889 1.661 -10.082 622 HG1 THR 82 HG1 THR 82 4.352 -0.290 -10.788 623 1HG2 THR 82 1HG2 THR 82 2.536 0.305 -7.734 624 2HG2 THR 82 2HG2 THR 82 4.189 0.921 -7.725 625 3HG2 THR 82 3HG2 THR 82 2.834 2.034 -7.912 626 H ALA 83 H ALA 83 1.992 -1.523 -9.672 627 HA ALA 83 HA ALA 83 0.044 -1.522 -7.530 628 1HB ALA 83 1HB ALA 83 -0.997 -1.693 -10.166 629 2HB ALA 83 2HB ALA 83 -1.113 -3.308 -9.468 630 3HB ALA 83 3HB ALA 83 -1.864 -1.936 -8.650 631 H ILE 84 H ILE 84 2.003 -2.591 -6.679 632 HA ILE 84 HA ILE 84 2.332 -5.388 -7.663 633 HB ILE 84 HB ILE 84 4.168 -3.604 -6.041 634 1HG1 ILE 84 1HG1 ILE 84 5.660 -4.190 -8.085 635 2HG1 ILE 84 2HG1 ILE 84 4.153 -4.679 -8.861 636 1HG2 ILE 84 1HG2 ILE 84 4.254 -6.546 -6.684 637 2HG2 ILE 84 2HG2 ILE 84 5.744 -5.636 -6.436 638 3HG2 ILE 84 3HG2 ILE 84 4.551 -5.743 -5.142 639 1HD1 ILE 84 1HD1 ILE 84 3.829 -2.118 -7.547 640 2HD1 ILE 84 2HD1 ILE 84 5.184 -2.066 -8.676 641 3HD1 ILE 84 3HD1 ILE 84 3.581 -2.535 -9.243 642 H ARG 85 H ARG 85 0.231 -5.742 -6.397 643 HA ARG 85 HA ARG 85 -0.176 -5.453 -3.681 644 1HB ARG 85 1HB ARG 85 -1.621 -6.704 -5.435 645 2HB ARG 85 2HB ARG 85 -0.685 -8.128 -4.981 646 1HG ARG 85 1HG ARG 85 -1.321 -7.766 -2.606 647 2HG ARG 85 2HG ARG 85 -2.311 -6.391 -3.101 648 1HD ARG 85 1HD ARG 85 -3.803 -7.776 -4.337 649 2HD ARG 85 2HD ARG 85 -2.698 -9.148 -4.276 650 HE ARG 85 HE ARG 85 -3.170 -8.916 -1.671 651 1HH1 ARG 85 1HH1 ARG 85 -5.049 -10.102 -4.055 652 2HH1 ARG 85 2HH1 ARG 85 -6.580 -9.827 -3.294 653 1HH2 ARG 85 1HH2 ARG 85 -5.268 -7.838 -0.775 654 2HH2 ARG 85 2HH2 ARG 85 -6.705 -8.543 -1.438 655 H GLY 86 H GLY 86 0.315 -6.774 -1.812 656 1HA GLY 86 1HA GLY 86 2.979 -7.433 -1.396 657 2HA GLY 86 2HA GLY 86 1.665 -8.187 -0.493 658 H GLN 87 H GLN 87 0.396 -9.741 -2.309 659 HA GLN 87 HA GLN 87 2.542 -11.646 -3.136 660 1HB GLN 87 1HB GLN 87 0.476 -13.243 -3.222 661 2HB GLN 87 2HB GLN 87 1.133 -12.791 -1.649 662 1HG GLN 87 1HG GLN 87 -0.578 -11.155 -1.300 663 2HG GLN 87 2HG GLN 87 -1.110 -11.259 -2.979 664 1HE2 GLN 87 2HE2 GLN 87 -2.792 -11.763 -0.603 665 2HE2 GLN 87 1HE2 GLN 87 -3.312 -13.375 -0.714 666 H ASP 88 H ASP 88 2.190 -9.585 -4.904 667 HA ASP 88 HA ASP 88 0.312 -10.556 -6.990 668 1HB ASP 88 1HB ASP 88 0.992 -8.005 -6.163 669 2HB ASP 88 2HB ASP 88 1.947 -8.206 -7.632 670 H LEU 89 H LEU 89 3.716 -10.300 -6.248 671 HA LEU 89 HA LEU 89 4.309 -11.604 -8.875 672 1HB LEU 89 1HB LEU 89 5.746 -9.432 -7.382 673 2HB LEU 89 2HB LEU 89 6.679 -10.552 -8.374 674 HG LEU 89 HG LEU 89 4.223 -9.350 -9.576 675 1HD1 LEU 89 1HD1 LEU 89 6.664 -7.857 -8.743 676 2HD1 LEU 89 2HD1 LEU 89 6.035 -7.525 -10.357 677 3HD1 LEU 89 3HD1 LEU 89 5.009 -7.281 -8.944 678 1HD2 LEU 89 1HD2 LEU 89 6.863 -10.466 -10.426 679 2HD2 LEU 89 2HD2 LEU 89 5.257 -10.750 -11.098 680 3HD2 LEU 89 3HD2 LEU 89 6.114 -9.253 -11.465 681 H ASP 90 H ASP 90 6.776 -12.552 -8.512 682 HA ASP 90 HA ASP 90 6.490 -14.834 -6.881 683 1HB ASP 90 1HB ASP 90 8.268 -14.233 -8.721 684 2HB ASP 90 2HB ASP 90 9.203 -13.628 -7.353 685 H GLU 91 H GLU 91 8.287 -15.236 -5.038 686 HA GLU 91 HA GLU 91 7.859 -13.046 -3.054 687 1HB GLU 91 1HB GLU 91 8.666 -15.914 -2.506 688 2HB GLU 91 2HB GLU 91 8.082 -14.724 -1.341 689 1HG GLU 91 1HG GLU 91 5.922 -14.631 -2.631 690 2HG GLU 91 2HG GLU 91 6.511 -15.974 -3.610 691 H ALA 92 H ALA 92 10.312 -15.125 -4.520 692 HA ALA 92 HA ALA 92 12.456 -13.956 -2.881 693 1HB ALA 92 1HB ALA 92 12.172 -16.352 -4.228 694 2HB ALA 92 2HB ALA 92 13.251 -15.444 -5.286 695 3HB ALA 92 3HB ALA 92 13.693 -15.715 -3.601 696 H ARG 93 H ARG 93 10.968 -13.432 -5.991 697 HA ARG 93 HA ARG 93 13.151 -11.917 -7.145 698 1HB ARG 93 1HB ARG 93 10.782 -12.954 -8.102 699 2HB ARG 93 2HB ARG 93 10.440 -11.223 -8.053 700 1HG ARG 93 1HG ARG 93 13.109 -11.856 -9.106 701 2HG ARG 93 2HG ARG 93 11.794 -12.508 -10.084 702 1HD ARG 93 1HD ARG 93 10.748 -10.125 -9.796 703 2HD ARG 93 2HD ARG 93 12.397 -9.644 -9.400 704 HE ARG 93 HE ARG 93 11.494 -10.691 -12.032 705 1HH1 ARG 93 1HH2 ARG 93 12.645 -7.999 -11.933 706 2HH1 ARG 93 2HH2 ARG 93 14.311 -8.259 -12.327 707 1HH2 ARG 93 1HH1 ARG 93 14.204 -11.666 -11.692 708 2HH2 ARG 93 2HH1 ARG 93 15.195 -10.336 -12.190 709 H ALA 94 H ALA 94 11.055 -11.263 -4.597 710 HA ALA 94 HA ALA 94 10.921 -8.353 -5.099 711 1HB ALA 94 1HB ALA 94 9.339 -10.183 -3.654 712 2HB ALA 94 2HB ALA 94 10.109 -9.164 -2.438 713 3HB ALA 94 3HB ALA 94 9.142 -8.430 -3.717 714 H MET 95 H MET 95 12.794 -10.681 -3.325 715 HA MET 95 HA MET 95 13.979 -8.717 -1.511 716 1HB MET 95 1HB MET 95 14.085 -11.615 -1.928 717 2HB MET 95 2HB MET 95 15.660 -10.923 -1.545 718 1HG MET 95 1HG MET 95 14.435 -9.666 0.351 719 2HG MET 95 2HG MET 95 13.121 -10.811 0.080 720 1HE MET 95 1HE MET 95 15.507 -9.906 2.226 721 2HE MET 95 2HE MET 95 14.286 -10.909 3.004 722 3HE MET 95 3HE MET 95 15.984 -11.361 3.113 723 H GLU 96 H GLU 96 14.756 -10.160 -4.628 724 HA GLU 96 HA GLU 96 17.498 -9.257 -4.711 725 1HB GLU 96 1HB GLU 96 15.671 -10.673 -6.436 726 2HB GLU 96 2HB GLU 96 16.488 -9.407 -7.353 727 1HG GLU 96 1HG GLU 96 17.972 -11.326 -5.546 728 2HG GLU 96 2HG GLU 96 17.700 -11.648 -7.258 729 H ALA 97 H ALA 97 14.624 -7.538 -4.726 730 HA ALA 97 HA ALA 97 15.395 -5.476 -6.650 731 1HB ALA 97 1HB ALA 97 13.096 -6.046 -4.898 732 2HB ALA 97 2HB ALA 97 13.465 -4.329 -5.063 733 3HB ALA 97 3HB ALA 97 13.135 -5.302 -6.497 734 H LYS 98 H LYS 98 15.942 -6.119 -3.279 735 HA LYS 98 HA LYS 98 16.650 -3.346 -2.636 736 1HB LYS 98 1HB LYS 98 16.056 -5.692 -1.158 737 2HB LYS 98 2HB LYS 98 17.717 -5.251 -0.757 738 1HG LYS 98 1HG LYS 98 15.951 -2.924 -0.882 739 2HG LYS 98 2HG LYS 98 15.429 -4.099 0.325 740 1HD LYS 98 1HD LYS 98 18.196 -3.999 0.647 741 2HD LYS 98 2HD LYS 98 17.741 -2.319 0.361 742 1HE LYS 98 1HE LYS 98 17.475 -2.525 2.682 743 2HE LYS 98 2HE LYS 98 15.838 -2.796 2.084 744 1HZ LYS 98 1HZ LYS 98 16.358 -5.211 2.101 745 2HZ LYS 98 2HZ LYS 98 17.817 -4.852 2.893 746 3HZ LYS 98 3HZ LYS 98 16.338 -4.498 3.643 747 H ARG 99 H ARG 99 18.372 -6.395 -3.275 748 HA ARG 99 HA ARG 99 21.004 -5.413 -2.787 749 1HB ARG 99 1HB ARG 99 19.787 -7.737 -4.125 750 2HB ARG 99 2HB ARG 99 21.348 -7.263 -4.797 751 1HG ARG 99 1HG ARG 99 22.067 -7.110 -2.271 752 2HG ARG 99 2HG ARG 99 20.686 -8.178 -2.015 753 1HD ARG 99 1HD ARG 99 22.294 -9.778 -2.421 754 2HD ARG 99 2HD ARG 99 21.795 -9.467 -4.084 755 HE ARG 99 HE ARG 99 24.254 -8.344 -2.817 756 1HH1 ARG 99 1HH1 ARG 99 23.281 -6.648 -5.034 757 2HH1 ARG 99 2HH1 ARG 99 24.050 -7.348 -6.420 758 1HH2 ARG 99 1HH2 ARG 99 24.823 -10.324 -4.818 759 2HH2 ARG 99 2HH2 ARG 99 24.924 -9.429 -6.297 760 H LYS 100 H LYS 100 18.833 -5.013 -5.503 761 HA LYS 100 HA LYS 100 20.972 -3.971 -7.241 762 1HB LYS 100 1HB LYS 100 19.131 -3.585 -8.855 763 2HB LYS 100 2HB LYS 100 19.124 -5.243 -8.253 764 1HG LYS 100 1HG LYS 100 17.315 -4.788 -6.752 765 2HG LYS 100 2HG LYS 100 17.451 -3.048 -7.013 766 1HD LYS 100 1HD LYS 100 15.556 -4.181 -8.270 767 2HD LYS 100 2HD LYS 100 16.663 -3.241 -9.272 768 1HE LYS 100 1HE LYS 100 17.874 -5.278 -9.894 769 2HE LYS 100 2HE LYS 100 16.834 -6.238 -8.840 770 1HZ LYS 100 1HZ LYS 100 14.933 -5.577 -10.175 771 2HZ LYS 100 2HZ LYS 100 15.934 -4.658 -11.189 772 3HZ LYS 100 3HZ LYS 100 16.102 -6.348 -11.137 773 H ALA 101 H ALA 101 18.659 -2.772 -4.958 774 HA ALA 101 HA ALA 101 18.717 -0.025 -5.981 775 1HB ALA 101 1HB ALA 101 16.932 -1.370 -4.440 776 2HB ALA 101 2HB ALA 101 17.856 -0.538 -3.188 777 3HB ALA 101 3HB ALA 101 17.058 0.389 -4.459 778 H GLU 102 H GLU 102 20.487 -1.972 -3.687 779 HA GLU 102 HA GLU 102 21.632 0.103 -2.103 780 1HB GLU 102 1HB GLU 102 21.909 -2.170 -1.385 781 2HB GLU 102 2HB GLU 102 22.669 -2.624 -2.911 782 1HG GLU 102 1HG GLU 102 24.677 -1.585 -2.382 783 2HG GLU 102 2HG GLU 102 23.912 -0.438 -1.282 784 H GLU 103 H GLU 103 22.393 -1.085 -5.324 785 HA GLU 103 HA GLU 103 24.989 -0.011 -5.648 786 1HB GLU 103 1HB GLU 103 22.727 -0.248 -7.656 787 2HB GLU 103 2HB GLU 103 24.399 0.123 -8.082 788 1HG GLU 103 1HG GLU 103 25.104 -2.009 -6.975 789 2HG GLU 103 2HG GLU 103 23.401 -2.393 -6.715 790 H HIS 104 H HIS 104 21.847 1.564 -5.659 791 HA HIS 104 HA HIS 104 23.018 4.121 -6.557 792 1HB HIS 104 1HB HIS 104 20.588 3.105 -7.006 793 2HB HIS 104 2HB HIS 104 20.233 3.937 -5.492 794 HD1 HIS 104 HD1 HIS 104 18.763 5.651 -6.887 795 HD2 HIS 104 HD2 HIS 104 22.833 5.698 -7.791 796 HE1 HIS 104 HE1 HIS 104 19.181 7.778 -8.195 797 H ILE 105 H ILE 105 21.411 2.821 -3.636 798 HA ILE 105 HA ILE 105 22.141 5.232 -2.115 799 HB ILE 105 HB ILE 105 20.943 2.678 -1.026 800 1HG1 ILE 105 1HG1 ILE 105 19.556 5.022 -2.368 801 2HG1 ILE 105 2HG1 ILE 105 19.595 3.357 -2.952 802 1HG2 ILE 105 1HG2 ILE 105 20.902 5.591 -0.204 803 2HG2 ILE 105 2HG2 ILE 105 19.885 4.354 0.535 804 3HG2 ILE 105 3HG2 ILE 105 21.641 4.247 0.667 805 1HD1 ILE 105 1HD1 ILE 105 18.635 3.708 -0.173 806 2HD1 ILE 105 2HD1 ILE 105 17.582 4.361 -1.428 807 3HD1 ILE 105 3HD1 ILE 105 18.027 2.655 -1.450 808 H SER 106 H SER 106 24.056 2.986 -3.208 809 HA SER 106 HA SER 106 25.262 1.561 -1.135 810 1HB SER 106 1HB SER 106 27.375 1.758 -2.430 811 2HB SER 106 2HB SER 106 26.003 1.367 -3.461 812 HG SER 106 HG SER 106 26.976 3.033 -4.470 813 H SER 107 H SER 107 25.249 2.704 0.835 814 HA SER 107 HA SER 107 26.367 3.975 2.483 815 1HB SER 107 1HB SER 107 28.297 3.720 0.567 816 2HB SER 107 2HB SER 107 28.069 5.466 0.576 817 HG SER 107 HG SER 107 29.603 4.407 2.154 818 H SER 108 H SER 108 26.588 6.374 3.049 819 HA SER 108 HA SER 108 25.366 8.327 1.286 820 1HB SER 108 1HB SER 108 23.606 6.697 2.816 821 2HB SER 108 2HB SER 108 23.610 8.294 3.560 822 HG SER 108 HG SER 108 22.104 7.932 1.753 823 H HIS 109 H HIS 109 26.001 10.346 1.961 824 HA HIS 109 HA HIS 109 27.664 10.538 4.353 825 1HB HIS 109 1HB HIS 109 27.096 12.172 1.988 826 2HB HIS 109 2HB HIS 109 27.243 13.130 3.461 827 HD1 HIS 109 HD1 HIS 109 29.551 13.317 4.536 828 HD2 HIS 109 HD2 HIS 109 29.477 10.650 1.332 829 HE1 HIS 109 HE1 HIS 109 31.962 12.720 4.045 830 H GLY 110 H GLY 110 25.372 13.087 3.553 831 1HA GLY 110 1HA GLY 110 23.518 12.472 5.695 832 2HA GLY 110 2HA GLY 110 24.661 13.731 6.168 833 H ASP 111 H ASP 111 22.116 14.562 6.115 834 HA ASP 111 HA ASP 111 20.737 16.224 5.191 835 1HB ASP 111 1HB ASP 111 22.802 16.762 3.076 836 2HB ASP 111 2HB ASP 111 21.773 17.902 3.943 837 H VAL 112 H VAL 112 19.046 15.156 4.233 838 HA VAL 112 HA VAL 112 17.869 13.872 2.635 839 HB VAL 112 HB VAL 112 17.831 14.938 0.451 840 1HG1 VAL 112 1HG1 VAL 112 16.988 16.138 2.593 841 2HG1 VAL 112 2HG1 VAL 112 18.405 17.169 2.398 842 3HG1 VAL 112 3HG1 VAL 112 17.181 17.102 1.130 843 1HG2 VAL 112 1HG2 VAL 112 20.429 15.067 0.437 844 2HG2 VAL 112 2HG2 VAL 112 19.534 16.372 -0.345 845 3HG2 VAL 112 3HG2 VAL 112 20.209 16.607 1.268 846 H ASP 113 H ASP 113 20.641 12.906 3.309 847 HA ASP 113 HA ASP 113 21.547 11.741 0.749 848 1HB ASP 113 1HB ASP 113 22.692 12.287 3.357 849 2HB ASP 113 2HB ASP 113 23.010 10.623 2.865 850 H TYR 114 H TYR 114 21.602 9.974 3.799 851 HA TYR 114 HA TYR 114 20.369 7.655 2.535 852 1HB TYR 114 1HB TYR 114 22.097 7.565 4.412 853 2HB TYR 114 2HB TYR 114 20.823 8.115 5.500 854 HD1 TYR 114 HD1 TYR 114 21.030 5.637 2.680 855 HD2 TYR 114 HD2 TYR 114 19.898 6.388 6.755 856 HE1 TYR 114 HE1 TYR 114 20.188 3.312 2.875 857 HE2 TYR 114 HE2 TYR 114 19.057 4.064 6.951 858 HH TYR 114 HH TYR 114 18.343 2.251 5.626 859 H ALA 115 H ALA 115 19.346 10.450 4.234 860 HA ALA 115 HA ALA 115 16.876 9.558 5.346 861 1HB ALA 115 1HB ALA 115 18.248 12.073 4.813 862 2HB ALA 115 2HB ALA 115 16.512 12.211 4.517 863 3HB ALA 115 3HB ALA 115 17.097 11.681 6.095 864 H GLN 116 H GLN 116 17.558 11.200 2.237 865 HA GLN 116 HA GLN 116 14.888 10.957 1.225 866 1HB GLN 116 1HB GLN 116 17.544 11.695 0.166 867 2HB GLN 116 2HB GLN 116 16.446 11.007 -1.029 868 1HG GLN 116 1HG GLN 116 14.688 12.642 -0.111 869 2HG GLN 116 2HG GLN 116 16.033 13.454 0.689 870 1HE2 GLN 116 2HE2 GLN 116 14.220 13.596 -2.091 871 2HE2 GLN 116 1HE2 GLN 116 15.360 14.293 -3.137 872 H ALA 117 H ALA 117 17.761 8.886 0.949 873 HA ALA 117 HA ALA 117 16.592 7.007 -0.888 874 1HB ALA 117 1HB ALA 117 18.997 7.144 0.829 875 2HB ALA 117 2HB ALA 117 18.416 5.515 0.485 876 3HB ALA 117 3HB ALA 117 18.836 6.600 -0.840 877 H SER 118 H SER 118 16.080 7.604 2.448 878 HA SER 118 HA SER 118 15.294 4.908 3.196 879 1HB SER 118 1HB SER 118 15.835 7.225 4.585 880 2HB SER 118 2HB SER 118 14.081 7.127 4.704 881 HG SER 118 HG SER 118 15.748 4.894 5.182 882 H ALA 119 H ALA 119 13.742 7.577 1.596 883 HA ALA 119 HA ALA 119 11.043 6.479 2.081 884 1HB ALA 119 1HB ALA 119 11.766 9.010 1.875 885 2HB ALA 119 2HB ALA 119 11.600 8.702 0.146 886 3HB ALA 119 3HB ALA 119 10.219 8.476 1.218 887 H GLU 120 H GLU 120 13.316 6.898 -0.630 888 HA GLU 120 HA GLU 120 11.502 5.695 -2.557 889 1HB GLU 120 1HB GLU 120 13.431 5.748 -4.075 890 2HB GLU 120 2HB GLU 120 13.280 7.287 -3.227 891 1HG GLU 120 1HG GLU 120 14.885 6.115 -1.478 892 2HG GLU 120 2HG GLU 120 15.318 5.121 -2.869 893 H LEU 121 H LEU 121 14.082 4.510 -0.463 894 HA LEU 121 HA LEU 121 14.034 1.855 -1.742 895 1HB LEU 121 1HB LEU 121 16.174 2.676 -0.917 896 2HB LEU 121 2HB LEU 121 15.500 2.902 0.697 897 HG LEU 121 HG LEU 121 15.091 0.488 0.886 898 1HD1 LEU 121 1HD1 LEU 121 15.838 0.609 -1.987 899 2HD1 LEU 121 2HD1 LEU 121 16.443 -0.781 -1.086 900 3HD1 LEU 121 3HD1 LEU 121 14.709 -0.467 -1.161 901 1HD2 LEU 121 1HD2 LEU 121 17.719 1.710 0.523 902 2HD2 LEU 121 2HD2 LEU 121 17.176 0.580 1.762 903 3HD2 LEU 121 3HD2 LEU 121 17.748 -0.025 0.206 904 H ALA 122 H ALA 122 13.285 3.178 1.500 905 HA ALA 122 HA ALA 122 12.261 0.836 2.666 906 1HB ALA 122 1HB ALA 122 12.593 3.019 3.847 907 2HB ALA 122 2HB ALA 122 11.152 3.633 3.038 908 3HB ALA 122 3HB ALA 122 11.020 2.293 4.175 909 H LYS 123 H LYS 123 10.626 3.166 0.536 910 HA LYS 123 HA LYS 123 7.996 2.129 0.739 911 1HB LYS 123 1HB LYS 123 7.553 3.234 -1.362 912 2HB LYS 123 2HB LYS 123 8.680 4.244 -0.456 913 1HG LYS 123 1HG LYS 123 9.730 4.200 -2.526 914 2HG LYS 123 2HG LYS 123 10.497 2.816 -1.747 915 1HD LYS 123 1HD LYS 123 9.632 1.408 -3.276 916 2HD LYS 123 2HD LYS 123 8.003 2.007 -2.963 917 1HE LYS 123 1HE LYS 123 8.078 2.881 -5.047 918 2HE LYS 123 2HE LYS 123 9.184 4.083 -4.382 919 1HZ LYS 123 1HZ LYS 123 10.913 2.186 -4.800 920 2HZ LYS 123 2HZ LYS 123 9.771 1.680 -5.951 921 3HZ LYS 123 3HZ LYS 123 10.449 3.231 -6.056 922 H ALA 124 H ALA 124 10.744 1.047 -1.214 923 HA ALA 124 HA ALA 124 9.179 -0.910 -2.692 924 1HB ALA 124 1HB ALA 124 11.836 0.130 -2.778 925 2HB ALA 124 2HB ALA 124 11.948 -1.623 -2.621 926 3HB ALA 124 3HB ALA 124 11.039 -0.914 -3.956 927 H ILE 125 H ILE 125 10.769 -0.825 0.394 928 HA ILE 125 HA ILE 125 10.957 -3.732 0.663 929 HB ILE 125 HB ILE 125 11.041 -1.680 2.886 930 1HG1 ILE 125 1HG1 ILE 125 12.631 -0.900 1.270 931 2HG1 ILE 125 2HG1 ILE 125 13.556 -1.792 2.478 932 1HG2 ILE 125 1HG2 ILE 125 11.617 -4.557 2.581 933 2HG2 ILE 125 2HG2 ILE 125 12.879 -3.647 3.412 934 3HG2 ILE 125 3HG2 ILE 125 11.227 -3.635 4.034 935 1HD1 ILE 125 1HD1 ILE 125 13.428 -3.815 1.008 936 2HD1 ILE 125 2HD1 ILE 125 12.647 -2.822 -0.223 937 3HD1 ILE 125 3HD1 ILE 125 14.304 -2.475 0.268 938 H ALA 126 H ALA 126 8.389 -1.610 0.673 939 HA ALA 126 HA ALA 126 6.844 -2.533 2.903 940 1HB ALA 126 1HB ALA 126 6.343 -1.009 0.415 941 2HB ALA 126 2HB ALA 126 4.945 -1.864 1.069 942 3HB ALA 126 3HB ALA 126 5.802 -0.685 2.062 943 H GLN 127 H GLN 127 7.329 -3.784 -0.359 944 HA GLN 127 HA GLN 127 5.174 -5.701 -0.276 945 1HB GLN 127 1HB GLN 127 6.166 -6.650 -2.241 946 2HB GLN 127 2HB GLN 127 6.427 -4.908 -2.351 947 1HG GLN 127 1HG GLN 127 8.628 -5.841 -0.904 948 2HG GLN 127 2HG GLN 127 8.388 -7.055 -2.160 949 1HE2 GLN 127 2HE2 GLN 127 10.319 -6.304 -3.327 950 2HE2 GLN 127 1HE2 GLN 127 10.301 -4.844 -4.192 951 H LEU 128 H LEU 128 8.302 -5.586 1.172 952 HA LEU 128 HA LEU 128 8.520 -8.495 1.510 953 1HB LEU 128 1HB LEU 128 10.494 -6.880 1.309 954 2HB LEU 128 2HB LEU 128 10.114 -6.366 2.953 955 HG LEU 128 HG LEU 128 10.202 -8.871 3.563 956 1HD1 LEU 128 1HD1 LEU 128 11.564 -8.877 0.854 957 2HD1 LEU 128 2HD1 LEU 128 11.713 -10.178 2.035 958 3HD1 LEU 128 3HD1 LEU 128 10.142 -9.806 1.327 959 1HD2 LEU 128 1HD2 LEU 128 12.351 -6.930 3.081 960 2HD2 LEU 128 2HD2 LEU 128 12.060 -7.956 4.486 961 3HD2 LEU 128 3HD2 LEU 128 12.920 -8.600 3.088 962 H ARG 129 H ARG 129 7.014 -5.868 3.143 963 HA ARG 129 HA ARG 129 6.966 -7.280 5.737 964 1HB ARG 129 1HB ARG 129 6.513 -4.556 4.816 965 2HB ARG 129 2HB ARG 129 5.215 -5.106 5.878 966 1HG ARG 129 1HG ARG 129 6.731 -5.608 7.645 967 2HG ARG 129 2HG ARG 129 8.130 -5.492 6.578 968 1HD ARG 129 1HD ARG 129 6.394 -3.266 7.639 969 2HD ARG 129 2HD ARG 129 8.144 -3.444 7.759 970 HE ARG 129 HE ARG 129 7.906 -3.228 5.098 971 1HH1 ARG 129 1HH2 ARG 129 8.262 -0.860 7.125 972 2HH1 ARG 129 2HH2 ARG 129 7.149 0.274 6.438 973 1HH2 ARG 129 1HH1 ARG 129 5.594 -2.074 4.414 974 2HH2 ARG 129 2HH1 ARG 129 5.636 -0.413 4.907 975 H VAL 130 H VAL 130 4.885 -6.698 2.968 976 HA VAL 130 HA VAL 130 2.542 -7.802 4.388 977 HB VAL 130 HB VAL 130 1.478 -7.532 2.067 978 1HG1 VAL 130 1HG1 VAL 130 2.237 -5.583 4.068 979 2HG1 VAL 130 2HG1 VAL 130 2.140 -4.824 2.478 980 3HG1 VAL 130 3HG1 VAL 130 0.746 -5.687 3.130 981 1HG2 VAL 130 1HG2 VAL 130 3.874 -7.466 1.031 982 2HG2 VAL 130 2HG2 VAL 130 2.642 -6.379 0.387 983 3HG2 VAL 130 3HG2 VAL 130 3.854 -5.769 1.513 984 H ILE 131 H ILE 131 5.034 -8.827 2.157 985 HA ILE 131 HA ILE 131 3.710 -11.195 1.194 986 HB ILE 131 HB ILE 131 5.696 -10.299 0.065 987 1HG1 ILE 131 1HG1 ILE 131 6.048 -13.040 1.310 988 2HG1 ILE 131 2HG1 ILE 131 5.301 -12.666 -0.243 989 1HG2 ILE 131 1HG2 ILE 131 6.794 -9.509 2.195 990 2HG2 ILE 131 2HG2 ILE 131 7.246 -11.184 2.513 991 3HG2 ILE 131 3HG2 ILE 131 7.882 -10.354 1.093 992 1HD1 ILE 131 1HD1 ILE 131 7.841 -11.476 -0.357 993 2HD1 ILE 131 2HD1 ILE 131 8.109 -13.051 0.389 994 3HD1 ILE 131 3HD1 ILE 131 7.329 -12.944 -1.189 995 H GLU 132 H GLU 132 6.003 -10.646 3.879 996 HA GLU 132 HA GLU 132 6.226 -13.292 4.802 997 1HB GLU 132 1HB GLU 132 6.460 -10.599 6.034 998 2HB GLU 132 2HB GLU 132 6.205 -11.939 7.153 999 1HG GLU 132 1HG GLU 132 8.129 -12.749 5.189 1000 2HG GLU 132 2HG GLU 132 8.624 -11.191 5.852 1001 H LEU 133 H LEU 133 3.535 -11.080 4.997 1002 HA LEU 133 HA LEU 133 2.109 -12.585 7.049 1003 1HB LEU 133 1HB LEU 133 1.692 -10.149 5.489 1004 2HB LEU 133 2HB LEU 133 0.217 -11.105 5.638 1005 HG LEU 133 HG LEU 133 1.496 -11.139 8.178 1006 1HD1 LEU 133 1HD1 LEU 133 1.566 -8.501 6.756 1007 2HD1 LEU 133 2HD1 LEU 133 1.186 -8.527 8.479 1008 3HD1 LEU 133 3HD1 LEU 133 2.720 -9.182 7.903 1009 1HD2 LEU 133 1HD2 LEU 133 -0.947 -11.283 7.629 1010 2HD2 LEU 133 2HD2 LEU 133 -0.590 -10.102 8.891 1011 3HD2 LEU 133 3HD2 LEU 133 -0.921 -9.562 7.244 1012 H THR 134 H THR 134 1.895 -12.296 3.500 1013 HA THR 134 HA THR 134 -0.298 -14.084 3.152 1014 HB THR 134 HB THR 134 0.504 -14.298 0.827 1015 HG1 THR 134 HG1 THR 134 2.521 -12.865 0.559 1016 1HG2 THR 134 1HG2 THR 134 -0.645 -12.202 1.663 1017 2HG2 THR 134 2HG2 THR 134 0.954 -11.474 1.817 1018 3HG2 THR 134 3HG2 THR 134 0.361 -11.973 0.233 1019 H LYS 135 H LYS 135 2.919 -14.681 4.156 1020 HA LYS 135 HA LYS 135 3.599 -17.161 3.118 1021 1HB LYS 135 1HB LYS 135 4.828 -17.581 5.133 1022 2HB LYS 135 2HB LYS 135 4.844 -15.832 4.903 1023 1HG LYS 135 1HG LYS 135 2.849 -15.680 6.428 1024 2HG LYS 135 2HG LYS 135 3.034 -17.404 6.757 1025 1HD LYS 135 1HD LYS 135 5.410 -15.603 7.085 1026 2HD LYS 135 2HD LYS 135 4.174 -15.625 8.343 1027 1HE LYS 135 1HE LYS 135 5.030 -17.540 9.150 1028 2HE LYS 135 2HE LYS 135 4.710 -18.330 7.606 1029 1HZ LYS 135 1HZ LYS 135 6.983 -16.613 7.474 1030 2HZ LYS 135 2HZ LYS 135 7.169 -17.797 8.679 1031 3HZ LYS 135 3HZ LYS 135 6.850 -18.256 7.074 1032 H LYS 136 H LYS 136 1.224 -16.501 5.684 1033 HA LYS 136 HA LYS 136 0.474 -19.374 5.703 1034 1HB LYS 136 1HB LYS 136 0.795 -18.105 7.859 1035 2HB LYS 136 2HB LYS 136 -0.602 -17.122 7.421 1036 1HG LYS 136 1HG LYS 136 -2.016 -18.722 8.124 1037 2HG LYS 136 2HG LYS 136 -1.228 -19.921 7.098 1038 1HD LYS 136 1HD LYS 136 0.275 -19.133 9.527 1039 2HD LYS 136 2HD LYS 136 -1.209 -20.045 9.810 1040 1HE LYS 136 1HE LYS 136 0.906 -20.916 7.826 1041 2HE LYS 136 2HE LYS 136 0.877 -21.460 9.504 1042 1HZ LYS 136 1HZ LYS 136 -1.675 -21.838 8.664 1043 2HZ LYS 136 2HZ LYS 136 -0.767 -22.263 7.297 1044 3HZ LYS 136 3HZ LYS 136 -0.484 -23.043 8.779 1045 H ALA 137 H ALA 137 -0.923 -16.161 5.080 1046 HA ALA 137 HA ALA 137 -3.582 -16.765 4.609 1047 1HB ALA 137 1HB ALA 137 -1.931 -14.621 4.024 1048 2HB ALA 137 2HB ALA 137 -2.457 -15.157 2.428 1049 3HB ALA 137 3HB ALA 137 -3.652 -14.714 3.647 1050 H MET 138 H MET 138 -1.111 -16.850 2.009 1051 HA MET 138 HA MET 138 -2.673 -18.106 0.050 1052 1HB MET 138 1HB MET 138 0.004 -17.393 0.310 1053 2HB MET 138 2HB MET 138 0.058 -19.143 0.092 1054 1HG MET 138 1HG MET 138 -1.194 -19.009 -1.956 1055 2HG MET 138 2HG MET 138 -1.561 -17.306 -1.687 1056 1HE MET 138 1HE MET 138 0.946 -19.951 -1.920 1057 2HE MET 138 2HE MET 138 2.309 -19.341 -2.856 1058 3HE MET 138 3HE MET 138 2.203 -18.985 -1.134 Start of MODEL 9 1 1H ALA 1 1H ALA 1 -23.711 0.838 8.523 2 2H ALA 1 2H ALA 1 -25.103 1.062 9.471 3 3H ALA 1 3H ALA 1 -24.767 2.122 8.187 4 HA ALA 1 HA ALA 1 -23.745 3.456 9.608 5 1HB ALA 1 1HB ALA 1 -25.071 1.864 11.305 6 2HB ALA 1 2HB ALA 1 -23.428 1.404 11.753 7 3HB ALA 1 3HB ALA 1 -23.937 3.088 11.877 8 H MET 2 H MET 2 -22.320 0.329 10.613 9 HA MET 2 HA MET 2 -19.629 1.434 10.387 10 1HB MET 2 1HB MET 2 -20.878 -1.018 11.406 11 2HB MET 2 2HB MET 2 -19.337 -1.309 10.599 12 1HG MET 2 1HG MET 2 -18.187 0.214 12.040 13 2HG MET 2 2HG MET 2 -19.699 0.857 12.678 14 1HE MET 2 1HE MET 2 -17.431 -2.081 12.192 15 2HE MET 2 2HE MET 2 -17.885 -3.289 13.401 16 3HE MET 2 3HE MET 2 -18.905 -3.024 11.989 17 H THR 3 H THR 3 -18.106 -0.501 9.232 18 HA THR 3 HA THR 3 -17.298 -1.101 7.102 19 HB THR 3 HB THR 3 -19.225 -2.174 5.672 20 HG1 THR 3 HG1 THR 3 -21.090 -2.369 6.659 21 1HG2 THR 3 1HG2 THR 3 -17.895 -3.068 8.170 22 2HG2 THR 3 2HG2 THR 3 -19.242 -4.055 7.604 23 3HG2 THR 3 3HG2 THR 3 -17.852 -3.776 6.556 24 H TYR 4 H TYR 4 -17.850 -0.827 4.639 25 HA TYR 4 HA TYR 4 -19.542 1.270 3.733 26 1HB TYR 4 1HB TYR 4 -18.015 3.123 3.502 27 2HB TYR 4 2HB TYR 4 -17.965 2.617 5.188 28 HD1 TYR 4 HD1 TYR 4 -16.226 0.447 5.455 29 HD2 TYR 4 HD2 TYR 4 -15.927 3.683 2.645 30 HE1 TYR 4 HE1 TYR 4 -13.794 0.057 5.272 31 HE2 TYR 4 HE2 TYR 4 -13.480 3.295 2.458 32 HH TYR 4 HH TYR 4 -11.924 0.591 4.179 33 H HIS 5 H HIS 5 -18.209 2.253 1.578 34 HA HIS 5 HA HIS 5 -17.254 -0.222 0.204 35 1HB HIS 5 1HB HIS 5 -19.163 0.386 -0.995 36 2HB HIS 5 2HB HIS 5 -18.911 2.108 -0.714 37 HD1 HIS 5 HD1 HIS 5 -18.447 -0.433 -3.264 38 HD2 HIS 5 HD2 HIS 5 -16.456 3.053 -2.169 39 HE1 HIS 5 HE1 HIS 5 -16.958 0.193 -5.217 40 H LEU 6 H LEU 6 -15.400 -0.032 -1.167 41 HA LEU 6 HA LEU 6 -14.011 2.557 -1.068 42 1HB LEU 6 1HB LEU 6 -12.038 1.776 -0.154 43 2HB LEU 6 2HB LEU 6 -13.219 0.821 0.737 44 HG LEU 6 HG LEU 6 -12.947 -0.880 -1.209 45 1HD1 LEU 6 1HD1 LEU 6 -10.813 1.111 -1.712 46 2HD1 LEU 6 2HD1 LEU 6 -10.289 -0.572 -1.762 47 3HD1 LEU 6 3HD1 LEU 6 -11.581 -0.019 -2.827 48 1HD2 LEU 6 1HD2 LEU 6 -11.538 -0.418 1.256 49 2HD2 LEU 6 2HD2 LEU 6 -11.989 -1.954 0.515 50 3HD2 LEU 6 3HD2 LEU 6 -10.459 -1.186 0.094 51 H ASP 7 H ASP 7 -12.335 2.745 -2.787 52 HA ASP 7 HA ASP 7 -12.520 0.667 -4.898 53 1HB ASP 7 1HB ASP 7 -14.269 2.137 -5.593 54 2HB ASP 7 2HB ASP 7 -13.306 3.569 -5.229 55 H VAL 8 H VAL 8 -10.295 0.234 -4.548 56 HA VAL 8 HA VAL 8 -8.445 2.498 -5.164 57 HB VAL 8 HB VAL 8 -8.013 1.603 -2.958 58 1HG1 VAL 8 1HG1 VAL 8 -8.802 -0.856 -4.225 59 2HG1 VAL 8 2HG1 VAL 8 -7.212 -1.070 -3.496 60 3HG1 VAL 8 3HG1 VAL 8 -8.570 -0.532 -2.508 61 1HG2 VAL 8 1HG2 VAL 8 -6.152 1.430 -5.137 62 2HG2 VAL 8 2HG2 VAL 8 -5.824 1.802 -3.444 63 3HG2 VAL 8 3HG2 VAL 8 -5.813 0.128 -3.999 64 H VAL 9 H VAL 9 -7.634 2.379 -7.201 65 HA VAL 9 HA VAL 9 -7.075 -0.332 -8.328 66 HB VAL 9 HB VAL 9 -8.073 2.001 -9.975 67 1HG1 VAL 9 1HG1 VAL 9 -6.810 -0.263 -10.762 68 2HG1 VAL 9 2HG1 VAL 9 -8.475 -0.844 -10.732 69 3HG1 VAL 9 3HG1 VAL 9 -8.042 0.537 -11.739 70 1HG2 VAL 9 1HG2 VAL 9 -9.610 0.839 -8.065 71 2HG2 VAL 9 2HG2 VAL 9 -10.259 1.416 -9.599 72 3HG2 VAL 9 3HG2 VAL 9 -9.873 -0.291 -9.391 73 H SER 10 H SER 10 -5.165 -0.461 -9.571 74 HA SER 10 HA SER 10 -3.697 1.791 -10.533 75 1HB SER 10 1HB SER 10 -3.423 2.276 -8.121 76 2HB SER 10 2HB SER 10 -2.723 0.677 -7.883 77 HG SER 10 HG SER 10 -0.990 1.261 -9.113 78 H ALA 11 H ALA 11 -4.008 -0.240 -12.029 79 HA ALA 11 HA ALA 11 -1.461 -1.382 -12.532 80 1HB ALA 11 1HB ALA 11 -1.953 -2.636 -10.422 81 2HB ALA 11 2HB ALA 11 -3.380 -3.318 -11.203 82 3HB ALA 11 3HB ALA 11 -1.771 -3.693 -11.822 83 H GLU 12 H GLU 12 -3.430 -0.202 -14.109 84 HA GLU 12 HA GLU 12 -4.829 -0.560 -15.977 85 1HB GLU 12 1HB GLU 12 -2.301 -1.647 -16.364 86 2HB GLU 12 2HB GLU 12 -3.386 -2.948 -16.857 87 1HG GLU 12 1HG GLU 12 -3.891 -0.136 -17.792 88 2HG GLU 12 2HG GLU 12 -2.703 -1.141 -18.620 89 H GLN 13 H GLN 13 -5.527 -2.074 -13.482 90 HA GLN 13 HA GLN 13 -7.361 -3.994 -14.784 91 1HB GLN 13 1HB GLN 13 -5.064 -5.027 -13.835 92 2HB GLN 13 2HB GLN 13 -5.994 -5.005 -12.336 93 1HG GLN 13 1HG GLN 13 -6.715 -7.036 -13.119 94 2HG GLN 13 2HG GLN 13 -7.866 -6.020 -13.988 95 1HE2 GLN 13 2HE2 GLN 13 -6.780 -5.116 -16.191 96 2HE2 GLN 13 1HE2 GLN 13 -5.986 -6.301 -17.111 97 H GLN 14 H GLN 14 -8.035 -5.138 -12.134 98 HA GLN 14 HA GLN 14 -9.150 -2.727 -10.774 99 1HB GLN 14 1HB GLN 14 -10.642 -5.198 -11.686 100 2HB GLN 14 2HB GLN 14 -11.279 -4.103 -10.458 101 1HG GLN 14 1HG GLN 14 -10.296 -2.898 -13.006 102 2HG GLN 14 2HG GLN 14 -11.832 -3.762 -13.050 103 1HE2 GLN 14 2HE2 GLN 14 -13.659 -2.690 -12.200 104 2HE2 GLN 14 1HE2 GLN 14 -13.592 -1.206 -11.382 105 H MET 15 H MET 15 -7.968 -2.885 -8.883 106 HA MET 15 HA MET 15 -7.382 -5.453 -7.642 107 1HB MET 15 1HB MET 15 -7.070 -2.588 -6.715 108 2HB MET 15 2HB MET 15 -6.609 -3.969 -5.721 109 1HG MET 15 1HG MET 15 -5.562 -4.188 -8.436 110 2HG MET 15 2HG MET 15 -5.008 -2.719 -7.632 111 1HE MET 15 1HE MET 15 -2.893 -2.757 -6.968 112 2HE MET 15 2HE MET 15 -1.919 -4.088 -6.348 113 3HE MET 15 3HE MET 15 -2.473 -4.115 -8.021 114 H PHE 16 H PHE 16 -8.930 -2.702 -6.007 115 HA PHE 16 HA PHE 16 -11.081 -4.577 -5.105 116 1HB PHE 16 1HB PHE 16 -9.303 -3.957 -3.353 117 2HB PHE 16 2HB PHE 16 -9.974 -2.327 -3.416 118 HD1 PHE 16 HD1 PHE 16 -10.675 -5.855 -2.562 119 HD2 PHE 16 HD2 PHE 16 -12.168 -1.833 -2.508 120 HE1 PHE 16 HE1 PHE 16 -12.509 -6.549 -1.047 121 HE2 PHE 16 HE2 PHE 16 -13.993 -2.511 -1.014 122 HZ PHE 16 HZ PHE 16 -14.168 -4.882 -0.268 123 H SER 17 H SER 17 -13.082 -3.834 -5.670 124 HA SER 17 HA SER 17 -13.644 -0.944 -5.614 125 1HB SER 17 1HB SER 17 -14.243 -0.723 -7.911 126 2HB SER 17 2HB SER 17 -12.671 -1.518 -7.914 127 HG SER 17 HG SER 17 -13.569 -3.280 -8.659 128 H GLY 18 H GLY 18 -15.110 -1.726 -3.937 129 1HA GLY 18 1HA GLY 18 -17.782 -2.061 -4.768 130 2HA GLY 18 2HA GLY 18 -17.153 -3.679 -4.451 131 H LEU 19 H LEU 19 -18.588 -3.884 -2.609 132 HA LEU 19 HA LEU 19 -18.588 -2.009 -0.437 133 1HB LEU 19 1HB LEU 19 -19.197 -4.982 -0.383 134 2HB LEU 19 2HB LEU 19 -19.657 -3.809 0.852 135 HG LEU 19 HG LEU 19 -20.663 -4.034 -1.987 136 1HD1 LEU 19 1HD1 LEU 19 -21.981 -3.838 0.736 137 2HD1 LEU 19 2HD1 LEU 19 -22.856 -3.871 -0.796 138 3HD1 LEU 19 3HD1 LEU 19 -21.903 -5.268 -0.295 139 1HD2 LEU 19 1HD2 LEU 19 -20.873 -1.657 -0.109 140 2HD2 LEU 19 2HD2 LEU 19 -20.065 -1.684 -1.677 141 3HD2 LEU 19 3HD2 LEU 19 -21.820 -1.849 -1.585 142 H VAL 20 H VAL 20 -17.695 -2.644 1.810 143 HA VAL 20 HA VAL 20 -15.465 -4.445 1.972 144 HB VAL 20 HB VAL 20 -13.966 -3.184 0.824 145 1HG1 VAL 20 1HG1 VAL 20 -15.888 -0.911 1.246 146 2HG1 VAL 20 2HG1 VAL 20 -14.309 -0.664 0.505 147 3HG1 VAL 20 3HG1 VAL 20 -15.487 -1.731 -0.260 148 1HG2 VAL 20 1HG2 VAL 20 -14.202 -1.529 3.339 149 2HG2 VAL 20 2HG2 VAL 20 -12.993 -2.761 2.952 150 3HG2 VAL 20 3HG2 VAL 20 -12.991 -1.219 2.091 151 H GLU 21 H GLU 21 -14.116 -3.862 4.018 152 HA GLU 21 HA GLU 21 -15.984 -2.700 6.044 153 1HB GLU 21 1HB GLU 21 -15.385 -5.264 6.052 154 2HB GLU 21 2HB GLU 21 -13.862 -4.709 6.748 155 1HG GLU 21 1HG GLU 21 -15.532 -3.294 8.290 156 2HG GLU 21 2HG GLU 21 -16.612 -4.633 7.899 157 H LYS 22 H LYS 22 -12.545 -3.260 5.244 158 HA LYS 22 HA LYS 22 -11.829 -0.558 5.890 159 1HB LYS 22 1HB LYS 22 -10.435 -1.142 7.946 160 2HB LYS 22 2HB LYS 22 -12.181 -1.090 8.190 161 1HG LYS 22 1HG LYS 22 -11.974 -3.172 9.047 162 2HG LYS 22 2HG LYS 22 -11.735 -3.706 7.383 163 1HD LYS 22 1HD LYS 22 -9.309 -3.407 7.610 164 2HD LYS 22 2HD LYS 22 -9.524 -2.822 9.261 165 1HE LYS 22 1HE LYS 22 -10.749 -5.454 8.608 166 2HE LYS 22 2HE LYS 22 -8.990 -5.402 8.708 167 1HZ LYS 22 1HZ LYS 22 -9.890 -3.941 10.853 168 2HZ LYS 22 2HZ LYS 22 -10.912 -5.297 10.798 169 3HZ LYS 22 3HZ LYS 22 -9.228 -5.501 10.895 170 H ILE 23 H ILE 23 -9.834 -0.116 5.054 171 HA ILE 23 HA ILE 23 -8.261 -2.421 3.998 172 HB ILE 23 HB ILE 23 -7.308 -0.881 2.439 173 1HG1 ILE 23 1HG1 ILE 23 -8.620 1.375 3.971 174 2HG1 ILE 23 2HG1 ILE 23 -6.928 0.924 4.168 175 1HG2 ILE 23 1HG2 ILE 23 -9.983 -1.361 2.483 176 2HG2 ILE 23 2HG2 ILE 23 -9.983 0.401 2.522 177 3HG2 ILE 23 3HG2 ILE 23 -9.182 -0.451 1.203 178 1HD1 ILE 23 1HD1 ILE 23 -7.810 1.292 1.369 179 2HD1 ILE 23 2HD1 ILE 23 -7.798 2.757 2.349 180 3HD1 ILE 23 3HD1 ILE 23 -6.322 1.813 2.159 181 H GLN 24 H GLN 24 -5.761 -0.885 3.876 182 HA GLN 24 HA GLN 24 -5.085 0.212 6.430 183 1HB GLN 24 1HB GLN 24 -5.444 -2.540 6.559 184 2HB GLN 24 2HB GLN 24 -3.698 -2.359 6.388 185 1HG GLN 24 1HG GLN 24 -5.185 -0.613 8.328 186 2HG GLN 24 2HG GLN 24 -4.768 -2.266 8.783 187 1HE2 GLN 24 2HE2 GLN 24 -2.946 -2.066 10.115 188 2HE2 GLN 24 1HE2 GLN 24 -1.559 -1.171 9.719 189 H VAL 25 H VAL 25 -3.827 1.643 5.170 190 HA VAL 25 HA VAL 25 -1.642 0.432 3.553 191 HB VAL 25 HB VAL 25 -2.575 3.307 3.765 192 1HG1 VAL 25 1HG1 VAL 25 -0.155 2.137 2.758 193 2HG1 VAL 25 2HG1 VAL 25 -1.087 2.768 1.401 194 3HG1 VAL 25 3HG1 VAL 25 -0.644 3.831 2.736 195 1HG2 VAL 25 1HG2 VAL 25 -4.160 1.670 2.675 196 2HG2 VAL 25 2HG2 VAL 25 -3.585 2.938 1.593 197 3HG2 VAL 25 3HG2 VAL 25 -2.895 1.318 1.498 198 H THR 26 H THR 26 0.512 0.761 4.075 199 HA THR 26 HA THR 26 1.174 2.504 6.379 200 HB THR 26 HB THR 26 1.746 -0.470 6.249 201 HG1 THR 26 HG1 THR 26 0.414 1.192 8.122 202 1HG2 THR 26 1HG2 THR 26 2.978 1.746 7.863 203 2HG2 THR 26 2HG2 THR 26 2.843 0.126 8.547 204 3HG2 THR 26 3HG2 THR 26 3.765 0.385 7.066 205 H GLY 27 H GLY 27 2.864 3.713 5.701 206 1HA GLY 27 1HA GLY 27 5.054 2.395 4.191 207 2HA GLY 27 2HA GLY 27 4.278 3.792 3.445 208 H SER 28 H SER 28 6.503 4.730 3.618 209 HA SER 28 HA SER 28 7.914 5.233 5.975 210 1HB SER 28 1HB SER 28 9.086 6.111 4.215 211 2HB SER 28 2HB SER 28 7.627 6.606 3.362 212 HG SER 28 HG SER 28 8.647 8.444 4.076 213 H GLU 29 H GLU 29 5.143 7.046 4.661 214 HA GLU 29 HA GLU 29 4.888 8.345 7.345 215 1HB GLU 29 1HB GLU 29 3.951 10.313 6.214 216 2HB GLU 29 2HB GLU 29 5.558 9.961 5.579 217 1HG GLU 29 1HG GLU 29 4.691 9.797 3.511 218 2HG GLU 29 2HG GLU 29 3.695 8.444 4.052 219 H GLY 30 H GLY 30 2.597 8.943 7.866 220 1HA GLY 30 1HA GLY 30 0.298 8.464 7.975 221 2HA GLY 30 2HA GLY 30 0.422 7.774 6.356 222 H GLU 31 H GLU 31 -0.774 6.824 9.053 223 HA GLU 31 HA GLU 31 0.256 4.049 8.782 224 1HB GLU 31 1HB GLU 31 0.442 5.790 11.176 225 2HB GLU 31 2HB GLU 31 -0.154 4.155 11.471 226 1HG GLU 31 1HG GLU 31 1.808 3.181 10.456 227 2HG GLU 31 2HG GLU 31 2.367 4.760 9.905 228 H LEU 32 H LEU 32 -2.122 5.004 7.705 229 HA LEU 32 HA LEU 32 -4.096 3.499 9.335 230 1HB LEU 32 1HB LEU 32 -4.204 6.402 8.697 231 2HB LEU 32 2HB LEU 32 -5.710 5.499 8.485 232 HG LEU 32 HG LEU 32 -4.057 5.227 11.001 233 1HD1 LEU 32 1HD1 LEU 32 -5.667 7.516 10.097 234 2HD1 LEU 32 2HD1 LEU 32 -6.166 6.880 11.663 235 3HD1 LEU 32 3HD1 LEU 32 -4.503 7.413 11.418 236 1HD2 LEU 32 1HD2 LEU 32 -6.975 4.792 10.286 237 2HD2 LEU 32 2HD2 LEU 32 -5.779 3.544 10.640 238 3HD2 LEU 32 3HD2 LEU 32 -6.318 4.635 11.916 239 H GLY 33 H GLY 33 -6.080 3.020 8.026 240 1HA GLY 33 1HA GLY 33 -5.373 2.790 5.129 241 2HA GLY 33 2HA GLY 33 -6.368 1.615 5.993 242 H ILE 34 H ILE 34 -8.544 1.881 5.806 243 HA ILE 34 HA ILE 34 -9.679 4.581 5.633 244 HB ILE 34 HB ILE 34 -9.826 2.620 3.335 245 1HG1 ILE 34 1HG1 ILE 34 -7.998 4.291 3.355 246 2HG1 ILE 34 2HG1 ILE 34 -9.157 4.638 2.069 247 1HG2 ILE 34 1HG2 ILE 34 -12.113 3.508 4.065 248 2HG2 ILE 34 2HG2 ILE 34 -11.512 5.114 3.666 249 3HG2 ILE 34 3HG2 ILE 34 -11.642 3.883 2.410 250 1HD1 ILE 34 1HD1 ILE 34 -10.333 6.089 3.918 251 2HD1 ILE 34 2HD1 ILE 34 -8.736 6.066 4.676 252 3HD1 ILE 34 3HD1 ILE 34 -8.935 6.738 3.056 253 H TYR 35 H TYR 35 -11.704 4.638 6.476 254 HA TYR 35 HA TYR 35 -13.260 2.142 6.802 255 1HB TYR 35 1HB TYR 35 -13.503 3.068 9.323 256 2HB TYR 35 2HB TYR 35 -12.253 1.914 8.874 257 HD1 TYR 35 HD1 TYR 35 -9.971 2.915 8.071 258 HD2 TYR 35 HD2 TYR 35 -12.929 5.137 10.258 259 HE1 TYR 35 HE1 TYR 35 -8.244 4.562 8.733 260 HE2 TYR 35 HE2 TYR 35 -11.198 6.782 10.923 261 HH TYR 35 HH TYR 35 -7.817 6.434 9.831 262 HA PRO 36 HA PRO 36 -16.646 4.916 6.469 263 1HB PRO 36 1HB PRO 36 -18.393 4.088 8.441 264 2HB PRO 36 2HB PRO 36 -18.157 3.236 6.907 265 1HG PRO 36 1HG PRO 36 -17.123 2.539 9.626 266 2HG PRO 36 2HG PRO 36 -17.548 1.469 8.279 267 1HD PRO 36 1HD PRO 36 -14.940 2.160 8.979 268 2HD PRO 36 2HD PRO 36 -15.426 1.559 7.381 269 H GLY 37 H GLY 37 -15.293 6.709 7.201 270 1HA GLY 37 1HA GLY 37 -16.034 8.707 8.650 271 2HA GLY 37 2HA GLY 37 -15.813 7.595 10.004 272 H HIS 38 H HIS 38 -13.755 7.709 7.135 273 HA HIS 38 HA HIS 38 -11.387 8.007 8.833 274 1HB HIS 38 1HB HIS 38 -11.267 6.506 6.920 275 2HB HIS 38 2HB HIS 38 -11.741 7.805 5.827 276 HD1 HIS 38 HD1 HIS 38 -9.667 8.260 4.495 277 HD2 HIS 38 HD2 HIS 38 -8.854 7.962 8.573 278 HE1 HIS 38 HE1 HIS 38 -7.226 8.866 4.784 279 H ALA 39 H ALA 39 -9.902 9.778 8.690 280 HA ALA 39 HA ALA 39 -10.883 12.355 8.780 281 1HB ALA 39 1HB ALA 39 -8.199 11.301 7.904 282 2HB ALA 39 2HB ALA 39 -8.525 13.034 7.914 283 3HB ALA 39 3HB ALA 39 -8.627 12.109 9.412 284 HA PRO 40 HA PRO 40 -12.007 13.469 4.689 285 1HB PRO 40 1HB PRO 40 -11.712 16.194 4.891 286 2HB PRO 40 2HB PRO 40 -13.056 15.297 5.620 287 1HG PRO 40 1HG PRO 40 -10.667 16.500 6.940 288 2HG PRO 40 2HG PRO 40 -12.275 16.177 7.610 289 1HD PRO 40 1HD PRO 40 -9.960 14.607 8.035 290 2HD PRO 40 2HD PRO 40 -11.629 14.127 8.408 291 H LEU 41 H LEU 41 -9.882 12.428 3.917 292 HA LEU 41 HA LEU 41 -7.788 14.420 3.229 293 1HB LEU 41 1HB LEU 41 -7.848 11.541 3.702 294 2HB LEU 41 2HB LEU 41 -7.020 11.942 2.196 295 HG LEU 41 HG LEU 41 -5.553 11.918 4.282 296 1HD1 LEU 41 1HD1 LEU 41 -5.841 14.289 2.444 297 2HD1 LEU 41 2HD1 LEU 41 -4.575 14.256 3.672 298 3HD1 LEU 41 3HD1 LEU 41 -4.622 13.015 2.420 299 1HD2 LEU 41 1HD2 LEU 41 -7.593 13.364 5.392 300 2HD2 LEU 41 2HD2 LEU 41 -5.941 13.357 6.011 301 3HD2 LEU 41 3HD2 LEU 41 -6.476 14.652 4.940 302 H LEU 42 H LEU 42 -6.971 14.397 0.946 303 HA LEU 42 HA LEU 42 -8.544 13.219 -1.165 304 1HB LEU 42 1HB LEU 42 -9.654 15.199 -2.017 305 2HB LEU 42 2HB LEU 42 -10.128 14.988 -0.330 306 HG LEU 42 HG LEU 42 -7.713 16.532 -0.410 307 1HD1 LEU 42 1HD1 LEU 42 -9.946 17.467 -2.235 308 2HD1 LEU 42 2HD1 LEU 42 -8.699 18.539 -1.598 309 3HD1 LEU 42 3HD1 LEU 42 -8.255 17.205 -2.661 310 1HD2 LEU 42 1HD2 LEU 42 -9.462 16.517 1.365 311 2HD2 LEU 42 2HD2 LEU 42 -9.116 18.148 0.790 312 3HD2 LEU 42 3HD2 LEU 42 -10.573 17.314 0.250 313 H THR 43 H THR 43 -5.747 13.574 -0.440 314 HA THR 43 HA THR 43 -4.851 15.019 -2.897 315 HB THR 43 HB THR 43 -2.950 15.919 -1.722 316 HG1 THR 43 HG1 THR 43 -3.149 15.403 0.728 317 1HG2 THR 43 1HG2 THR 43 -5.406 16.845 -1.337 318 2HG2 THR 43 2HG2 THR 43 -5.092 16.341 0.324 319 3HG2 THR 43 3HG2 THR 43 -4.037 17.521 -0.453 320 H ALA 44 H ALA 44 -2.034 14.245 -2.072 321 HA ALA 44 HA ALA 44 -2.199 11.451 -3.079 322 1HB ALA 44 1HB ALA 44 -0.003 13.525 -3.021 323 2HB ALA 44 2HB ALA 44 0.339 11.829 -3.365 324 3HB ALA 44 3HB ALA 44 -0.731 12.746 -4.426 325 H ILE 45 H ILE 45 -1.994 9.849 -1.582 326 HA ILE 45 HA ILE 45 0.042 9.973 0.487 327 HB ILE 45 HB ILE 45 -1.917 9.612 2.271 328 1HG1 ILE 45 1HG1 ILE 45 -3.781 11.171 1.798 329 2HG1 ILE 45 2HG1 ILE 45 -3.114 11.481 0.196 330 1HG2 ILE 45 1HG2 ILE 45 -0.080 11.586 1.699 331 2HG2 ILE 45 2HG2 ILE 45 -1.604 12.475 1.683 332 3HG2 ILE 45 3HG2 ILE 45 -1.129 11.563 3.116 333 1HD1 ILE 45 1HD1 ILE 45 -3.346 9.062 -0.341 334 2HD1 ILE 45 2HD1 ILE 45 -4.087 8.803 1.237 335 3HD1 ILE 45 3HD1 ILE 45 -4.899 9.808 0.035 336 H LYS 46 H LYS 46 -0.840 8.091 2.238 337 HA LYS 46 HA LYS 46 -1.305 5.814 2.525 338 1HB LYS 46 1HB LYS 46 -2.971 6.616 0.294 339 2HB LYS 46 2HB LYS 46 -2.394 4.962 0.080 340 1HG LYS 46 1HG LYS 46 -4.434 4.825 1.342 341 2HG LYS 46 2HG LYS 46 -3.116 4.522 2.473 342 1HD LYS 46 1HD LYS 46 -3.587 7.352 2.329 343 2HD LYS 46 2HD LYS 46 -5.116 6.529 2.642 344 1HE LYS 46 1HE LYS 46 -3.944 5.235 4.468 345 2HE LYS 46 2HE LYS 46 -2.551 6.290 4.234 346 1HZ LYS 46 1HZ LYS 46 -4.706 7.975 4.417 347 2HZ LYS 46 2HZ LYS 46 -4.988 6.805 5.611 348 3HZ LYS 46 3HZ LYS 46 -3.539 7.691 5.619 349 HA PRO 47 HA PRO 47 2.225 4.952 -0.484 350 1HB PRO 47 1HB PRO 47 4.353 5.574 1.134 351 2HB PRO 47 2HB PRO 47 3.610 6.735 0.020 352 1HG PRO 47 1HG PRO 47 3.384 6.575 2.991 353 2HG PRO 47 2HG PRO 47 3.235 7.985 1.929 354 1HD PRO 47 1HD PRO 47 1.088 6.561 3.103 355 2HD PRO 47 2HD PRO 47 0.973 7.750 1.789 356 H GLY 48 H GLY 48 3.313 2.914 -0.350 357 1HA GLY 48 1HA GLY 48 4.468 1.247 1.115 358 2HA GLY 48 2HA GLY 48 3.234 1.578 2.327 359 H MET 49 H MET 49 2.356 -0.489 2.465 360 HA MET 49 HA MET 49 1.394 -1.755 -0.052 361 1HB MET 49 1HB MET 49 1.101 -3.776 1.287 362 2HB MET 49 2HB MET 49 2.718 -3.130 1.568 363 1HG MET 49 1HG MET 49 2.253 -3.088 3.770 364 2HG MET 49 2HG MET 49 1.046 -1.845 3.441 365 1HE MET 49 1HE MET 49 1.738 -4.902 5.086 366 2HE MET 49 2HE MET 49 0.487 -6.096 4.743 367 3HE MET 49 3HE MET 49 1.709 -5.736 3.525 368 H ILE 50 H ILE 50 -0.724 -3.259 1.314 369 HA ILE 50 HA ILE 50 -2.535 -1.454 2.615 370 HB ILE 50 HB ILE 50 -2.392 -0.530 0.224 371 1HG1 ILE 50 1HG1 ILE 50 -4.221 -0.085 1.919 372 2HG1 ILE 50 2HG1 ILE 50 -4.718 0.073 0.236 373 1HG2 ILE 50 1HG2 ILE 50 -2.598 -2.999 -0.654 374 2HG2 ILE 50 2HG2 ILE 50 -4.328 -2.711 -0.488 375 3HG2 ILE 50 3HG2 ILE 50 -3.360 -1.684 -1.545 376 1HD1 ILE 50 1HD1 ILE 50 -5.144 -2.626 0.830 377 2HD1 ILE 50 2HD1 ILE 50 -5.677 -1.768 2.271 378 3HD1 ILE 50 3HD1 ILE 50 -6.381 -1.375 0.705 379 H ARG 51 H ARG 51 -3.493 -2.955 3.877 380 HA ARG 51 HA ARG 51 -4.237 -5.590 2.714 381 1HB ARG 51 1HB ARG 51 -4.459 -4.790 5.622 382 2HB ARG 51 2HB ARG 51 -4.321 -6.413 4.941 383 1HG ARG 51 1HG ARG 51 -2.024 -5.796 4.119 384 2HG ARG 51 2HG ARG 51 -2.171 -4.279 5.006 385 1HD ARG 51 1HD ARG 51 -2.797 -6.725 6.554 386 2HD ARG 51 2HD ARG 51 -1.109 -6.536 6.078 387 HE ARG 51 HE ARG 51 -2.048 -4.063 7.161 388 1HH1 ARG 51 1HH1 ARG 51 -1.496 -7.338 8.095 389 2HH1 ARG 51 2HH1 ARG 51 -0.938 -6.929 9.682 390 1HH2 ARG 51 1HH2 ARG 51 -1.232 -3.508 9.197 391 2HH2 ARG 51 2HH2 ARG 51 -0.789 -4.762 10.307 392 H ILE 52 H ILE 52 -6.499 -6.392 3.457 393 HA ILE 52 HA ILE 52 -8.374 -4.192 4.017 394 HB ILE 52 HB ILE 52 -7.771 -5.011 1.380 395 1HG1 ILE 52 1HG1 ILE 52 -10.068 -3.297 2.321 396 2HG1 ILE 52 2HG1 ILE 52 -8.394 -2.748 2.215 397 1HG2 ILE 52 1HG2 ILE 52 -9.409 -6.848 1.659 398 2HG2 ILE 52 2HG2 ILE 52 -10.631 -5.674 2.147 399 3HG2 ILE 52 3HG2 ILE 52 -9.985 -5.644 0.505 400 1HD1 ILE 52 1HD1 ILE 52 -8.844 -3.960 -0.247 401 2HD1 ILE 52 2HD1 ILE 52 -10.351 -3.103 0.081 402 3HD1 ILE 52 3HD1 ILE 52 -8.820 -2.224 0.065 403 H VAL 53 H VAL 53 -10.638 -4.987 4.151 404 HA VAL 53 HA VAL 53 -10.920 -7.873 4.745 405 HB VAL 53 HB VAL 53 -11.313 -5.607 6.707 406 1HG1 VAL 53 1HG1 VAL 53 -12.579 -8.362 6.779 407 2HG1 VAL 53 2HG1 VAL 53 -12.557 -7.231 8.132 408 3HG1 VAL 53 3HG1 VAL 53 -13.431 -6.823 6.655 409 1HG2 VAL 53 1HG2 VAL 53 -9.722 -8.124 6.516 410 2HG2 VAL 53 2HG2 VAL 53 -9.280 -6.567 7.218 411 3HG2 VAL 53 3HG2 VAL 53 -10.321 -7.675 8.113 412 H LYS 54 H LYS 54 -12.478 -8.235 3.213 413 HA LYS 54 HA LYS 54 -14.438 -6.312 2.386 414 1HB LYS 54 1HB LYS 54 -13.569 -8.573 1.285 415 2HB LYS 54 2HB LYS 54 -14.973 -9.243 2.114 416 1HG LYS 54 1HG LYS 54 -16.459 -8.151 0.766 417 2HG LYS 54 2HG LYS 54 -15.442 -6.714 0.640 418 1HD LYS 54 1HD LYS 54 -15.004 -7.451 -1.464 419 2HD LYS 54 2HD LYS 54 -13.925 -8.598 -0.669 420 1HE LYS 54 1HE LYS 54 -16.046 -10.078 -0.416 421 2HE LYS 54 2HE LYS 54 -16.734 -9.039 -1.664 422 1HZ LYS 54 1HZ LYS 54 -14.298 -9.616 -2.658 423 2HZ LYS 54 2HZ LYS 54 -14.697 -11.066 -1.873 424 3HZ LYS 54 3HZ LYS 54 -15.730 -10.435 -3.066 425 H GLN 55 H GLN 55 -16.184 -5.643 3.529 426 HA GLN 55 HA GLN 55 -17.778 -5.607 5.274 427 1HB GLN 55 1HB GLN 55 -18.158 -8.404 4.155 428 2HB GLN 55 2HB GLN 55 -19.323 -7.552 5.168 429 1HG GLN 55 1HG GLN 55 -19.440 -5.740 3.472 430 2HG GLN 55 2HG GLN 55 -18.340 -6.659 2.443 431 1HE2 GLN 55 2HE2 GLN 55 -20.468 -6.427 1.018 432 2HE2 GLN 55 1HE2 GLN 55 -21.579 -7.702 1.157 433 H HIS 56 H HIS 56 -18.715 -7.726 6.911 434 HA HIS 56 HA HIS 56 -16.637 -7.800 8.907 435 1HB HIS 56 1HB HIS 56 -19.141 -7.887 9.332 436 2HB HIS 56 2HB HIS 56 -19.097 -9.564 8.788 437 HD1 HIS 56 HD1 HIS 56 -17.239 -11.095 10.152 438 HD2 HIS 56 HD2 HIS 56 -18.576 -7.617 12.021 439 HE1 HIS 56 HE1 HIS 56 -16.678 -11.342 12.609 440 H GLY 57 H GLY 57 -14.828 -8.828 7.855 441 1HA GLY 57 1HA GLY 57 -13.780 -11.102 8.214 442 2HA GLY 57 2HA GLY 57 -15.209 -11.765 7.419 443 H HIS 58 H HIS 58 -13.322 -12.676 6.058 444 HA HIS 58 HA HIS 58 -12.239 -12.717 3.981 445 1HB HIS 58 1HB HIS 58 -14.610 -11.285 3.599 446 2HB HIS 58 2HB HIS 58 -13.362 -10.263 2.885 447 HD1 HIS 58 HD1 HIS 58 -14.992 -13.626 2.544 448 HD2 HIS 58 HD2 HIS 58 -12.042 -11.393 0.623 449 HE1 HIS 58 HE1 HIS 58 -14.487 -14.826 0.371 450 H GLU 59 H GLU 59 -10.586 -11.528 2.722 451 HA GLU 59 HA GLU 59 -9.715 -8.897 3.508 452 1HB GLU 59 1HB GLU 59 -7.664 -9.517 4.702 453 2HB GLU 59 2HB GLU 59 -9.070 -10.147 5.559 454 1HG GLU 59 1HG GLU 59 -8.334 -12.260 5.323 455 2HG GLU 59 2HG GLU 59 -8.193 -12.054 3.576 456 H GLU 60 H GLU 60 -8.022 -8.170 2.142 457 HA GLU 60 HA GLU 60 -6.966 -10.181 0.202 458 1HB GLU 60 1HB GLU 60 -8.358 -7.568 -0.357 459 2HB GLU 60 2HB GLU 60 -7.181 -8.215 -1.500 460 1HG GLU 60 1HG GLU 60 -8.468 -10.359 -1.543 461 2HG GLU 60 2HG GLU 60 -9.683 -9.611 -0.508 462 H PHE 61 H PHE 61 -4.906 -9.565 -0.746 463 HA PHE 61 HA PHE 61 -3.450 -7.542 0.908 464 1HB PHE 61 1HB PHE 61 -2.797 -10.258 0.038 465 2HB PHE 61 2HB PHE 61 -1.532 -9.100 -0.370 466 HD1 PHE 61 HD1 PHE 61 -3.644 -10.357 2.432 467 HD2 PHE 61 HD2 PHE 61 -0.100 -8.202 1.308 468 HE1 PHE 61 HE1 PHE 61 -2.895 -10.352 4.796 469 HE2 PHE 61 HE2 PHE 61 0.650 -8.204 3.674 470 HZ PHE 61 HZ PHE 61 -0.749 -9.277 5.416 471 H ILE 62 H ILE 62 -2.509 -5.843 -0.157 472 HA ILE 62 HA ILE 62 -1.952 -6.029 -3.047 473 HB ILE 62 HB ILE 62 -3.985 -4.116 -1.866 474 1HG1 ILE 62 1HG1 ILE 62 -4.146 -6.022 -4.221 475 2HG1 ILE 62 2HG1 ILE 62 -4.734 -6.401 -2.603 476 1HG2 ILE 62 1HG2 ILE 62 -2.612 -4.082 -4.571 477 2HG2 ILE 62 2HG2 ILE 62 -4.036 -3.123 -4.168 478 3HG2 ILE 62 3HG2 ILE 62 -2.513 -2.837 -3.326 479 1HD1 ILE 62 1HD1 ILE 62 -5.641 -3.875 -3.949 480 2HD1 ILE 62 2HD1 ILE 62 -6.394 -5.409 -4.383 481 3HD1 ILE 62 3HD1 ILE 62 -6.461 -4.835 -2.716 482 H TYR 63 H TYR 63 -0.834 -3.937 -3.782 483 HA TYR 63 HA TYR 63 0.381 -2.431 -1.534 484 1HB TYR 63 1HB TYR 63 2.231 -3.737 -1.635 485 2HB TYR 63 2HB TYR 63 1.724 -4.479 -3.147 486 HD1 TYR 63 HD1 TYR 63 2.341 -3.491 -5.306 487 HD2 TYR 63 HD2 TYR 63 3.670 -1.767 -1.607 488 HE1 TYR 63 HE1 TYR 63 4.024 -2.156 -6.539 489 HE2 TYR 63 HE2 TYR 63 5.353 -0.425 -2.836 490 HH TYR 63 HH TYR 63 6.074 0.215 -4.857 491 H LEU 64 H LEU 64 1.192 -0.372 -2.173 492 HA LEU 64 HA LEU 64 1.106 0.434 -4.989 493 1HB LEU 64 1HB LEU 64 -0.524 2.350 -4.375 494 2HB LEU 64 2HB LEU 64 -1.212 0.748 -4.638 495 HG LEU 64 HG LEU 64 -0.491 0.798 -1.921 496 1HD1 LEU 64 1HD1 LEU 64 -0.573 3.417 -2.630 497 2HD1 LEU 64 2HD1 LEU 64 -2.274 3.145 -2.251 498 3HD1 LEU 64 3HD1 LEU 64 -1.039 2.830 -1.033 499 1HD2 LEU 64 1HD2 LEU 64 -2.477 -0.263 -3.076 500 2HD2 LEU 64 2HD2 LEU 64 -2.870 0.565 -1.568 501 3HD2 LEU 64 3HD2 LEU 64 -3.226 1.334 -3.115 502 H SER 65 H SER 65 2.109 2.530 -5.290 503 HA SER 65 HA SER 65 3.561 3.473 -2.850 504 1HB SER 65 1HB SER 65 4.563 2.611 -5.351 505 2HB SER 65 2HB SER 65 4.785 4.358 -5.308 506 HG SER 65 HG SER 65 5.396 2.893 -3.011 507 H GLY 66 H GLY 66 3.198 4.996 -6.048 508 1HA GLY 66 1HA GLY 66 2.333 7.475 -4.682 509 2HA GLY 66 2HA GLY 66 2.817 7.344 -6.374 510 H GLY 67 H GLY 67 0.227 8.121 -4.658 511 1HA GLY 67 1HA GLY 67 -1.633 7.631 -6.786 512 2HA GLY 67 2HA GLY 67 -1.903 6.466 -5.487 513 H ILE 68 H ILE 68 -3.527 8.834 -6.456 514 HA ILE 68 HA ILE 68 -3.524 10.506 -3.995 515 HB ILE 68 HB ILE 68 -4.872 10.826 -6.691 516 1HG1 ILE 68 1HG1 ILE 68 -2.823 12.535 -5.250 517 2HG1 ILE 68 2HG1 ILE 68 -2.422 11.341 -6.484 518 1HG2 ILE 68 1HG2 ILE 68 -6.240 11.610 -4.659 519 2HG2 ILE 68 2HG2 ILE 68 -4.966 12.802 -4.406 520 3HG2 ILE 68 3HG2 ILE 68 -5.904 12.819 -5.898 521 1HD1 ILE 68 1HD1 ILE 68 -3.923 12.546 -8.077 522 2HD1 ILE 68 2HD1 ILE 68 -4.183 13.782 -6.847 523 3HD1 ILE 68 3HD1 ILE 68 -2.574 13.540 -7.526 524 H LEU 69 H LEU 69 -4.880 9.858 -2.405 525 HA LEU 69 HA LEU 69 -7.327 8.336 -3.194 526 1HB LEU 69 1HB LEU 69 -6.015 6.918 -1.826 527 2HB LEU 69 2HB LEU 69 -5.561 8.237 -0.747 528 HG LEU 69 HG LEU 69 -8.463 7.532 -1.019 529 1HD1 LEU 69 1HD1 LEU 69 -6.337 5.920 0.366 530 2HD1 LEU 69 2HD1 LEU 69 -7.954 6.018 1.062 531 3HD1 LEU 69 3HD1 LEU 69 -7.730 5.360 -0.559 532 1HD2 LEU 69 1HD2 LEU 69 -7.048 9.398 0.416 533 2HD2 LEU 69 2HD2 LEU 69 -8.649 8.805 0.860 534 3HD2 LEU 69 3HD2 LEU 69 -7.211 8.093 1.593 535 H GLU 70 H GLU 70 -9.282 8.831 -2.063 536 HA GLU 70 HA GLU 70 -9.331 11.284 -0.410 537 1HB GLU 70 1HB GLU 70 -11.170 12.236 -1.787 538 2HB GLU 70 2HB GLU 70 -9.668 12.106 -2.701 539 1HG GLU 70 1HG GLU 70 -11.258 9.665 -2.869 540 2HG GLU 70 2HG GLU 70 -12.139 11.072 -3.466 541 H VAL 71 H VAL 71 -11.284 11.402 0.887 542 HA VAL 71 HA VAL 71 -12.645 8.757 1.085 543 HB VAL 71 HB VAL 71 -11.477 9.602 3.116 544 1HG1 VAL 71 1HG1 VAL 71 -12.044 12.045 2.509 545 2HG1 VAL 71 2HG1 VAL 71 -13.619 11.728 3.237 546 3HG1 VAL 71 3HG1 VAL 71 -12.154 11.594 4.211 547 1HG2 VAL 71 1HG2 VAL 71 -14.448 9.177 3.023 548 2HG2 VAL 71 2HG2 VAL 71 -13.193 8.138 3.699 549 3HG2 VAL 71 3HG2 VAL 71 -13.693 9.593 4.562 550 H GLN 72 H GLN 72 -14.862 8.605 0.913 551 HA GLN 72 HA GLN 72 -16.334 11.149 0.353 552 1HB GLN 72 1HB GLN 72 -15.986 8.822 -1.301 553 2HB GLN 72 2HB GLN 72 -17.687 8.964 -0.862 554 1HG GLN 72 1HG GLN 72 -17.456 11.454 -1.493 555 2HG GLN 72 2HG GLN 72 -15.950 10.982 -2.281 556 1HE2 GLN 72 2HE2 GLN 72 -16.097 9.473 -4.120 557 2HE2 GLN 72 1HE2 GLN 72 -17.565 9.250 -4.942 558 HA PRO 73 HA PRO 73 -19.305 9.855 3.304 559 1HB PRO 73 1HB PRO 73 -21.681 10.526 2.096 560 2HB PRO 73 2HB PRO 73 -20.550 11.716 2.765 561 1HG PRO 73 1HG PRO 73 -21.091 11.037 -0.087 562 2HG PRO 73 2HG PRO 73 -20.485 12.548 0.611 563 1HD PRO 73 1HD PRO 73 -18.924 10.572 -0.694 564 2HD PRO 73 2HD PRO 73 -18.304 11.928 0.272 565 H GLY 74 H GLY 74 -19.009 7.518 3.215 566 1HA GLY 74 1HA GLY 74 -20.406 5.515 3.271 567 2HA GLY 74 2HA GLY 74 -21.281 6.135 1.872 568 H ASN 75 H ASN 75 -18.289 6.862 0.978 569 HA ASN 75 HA ASN 75 -17.251 4.211 0.325 570 1HB ASN 75 1HB ASN 75 -17.418 4.891 -2.230 571 2HB ASN 75 2HB ASN 75 -18.760 4.069 -1.434 572 1HD2 ASN 75 2HD2 ASN 75 -17.954 6.836 -3.246 573 2HD2 ASN 75 1HD2 ASN 75 -19.344 7.754 -2.918 574 H VAL 76 H VAL 76 -15.232 4.384 -0.973 575 HA VAL 76 HA VAL 76 -14.052 7.122 -0.968 576 HB VAL 76 HB VAL 76 -11.987 6.268 0.016 577 1HG1 VAL 76 1HG1 VAL 76 -14.554 5.674 1.489 578 2HG1 VAL 76 2HG1 VAL 76 -12.985 5.456 2.263 579 3HG1 VAL 76 3HG1 VAL 76 -13.469 7.050 1.685 580 1HG2 VAL 76 1HG2 VAL 76 -12.531 3.892 -0.991 581 2HG2 VAL 76 2HG2 VAL 76 -11.595 4.016 0.497 582 3HG2 VAL 76 3HG2 VAL 76 -13.313 3.628 0.568 583 H THR 77 H THR 77 -11.844 6.996 -2.212 584 HA THR 77 HA THR 77 -11.653 4.853 -4.194 585 HB THR 77 HB THR 77 -12.529 7.639 -5.002 586 HG1 THR 77 HG1 THR 77 -14.317 6.617 -5.690 587 1HG2 THR 77 1HG2 THR 77 -11.309 5.375 -6.566 588 2HG2 THR 77 2HG2 THR 77 -12.407 6.516 -7.340 589 3HG2 THR 77 3HG2 THR 77 -10.908 7.091 -6.613 590 H VAL 78 H VAL 78 -9.694 5.086 -5.506 591 HA VAL 78 HA VAL 78 -7.904 7.333 -5.126 592 HB VAL 78 HB VAL 78 -7.534 6.389 -2.937 593 1HG1 VAL 78 1HG1 VAL 78 -7.286 3.773 -4.442 594 2HG1 VAL 78 2HG1 VAL 78 -6.782 3.971 -2.764 595 3HG1 VAL 78 3HG1 VAL 78 -8.474 4.192 -3.207 596 1HG2 VAL 78 1HG2 VAL 78 -5.512 7.068 -4.251 597 2HG2 VAL 78 2HG2 VAL 78 -5.167 5.804 -3.070 598 3HG2 VAL 78 3HG2 VAL 78 -5.335 5.393 -4.777 599 H LEU 79 H LEU 79 -6.494 7.340 -6.843 600 HA LEU 79 HA LEU 79 -6.207 4.775 -8.358 601 1HB LEU 79 1HB LEU 79 -6.330 7.636 -9.348 602 2HB LEU 79 2HB LEU 79 -5.852 6.275 -10.363 603 HG LEU 79 HG LEU 79 -8.293 5.655 -8.938 604 1HD1 LEU 79 1HD1 LEU 79 -8.040 8.364 -10.052 605 2HD1 LEU 79 2HD1 LEU 79 -9.404 7.457 -10.706 606 3HD1 LEU 79 3HD1 LEU 79 -9.263 7.706 -8.966 607 1HD2 LEU 79 1HD2 LEU 79 -7.211 4.749 -11.137 608 2HD2 LEU 79 2HD2 LEU 79 -8.967 4.899 -11.060 609 3HD2 LEU 79 3HD2 LEU 79 -8.012 6.122 -11.902 610 H ALA 80 H ALA 80 -4.166 3.995 -8.209 611 HA ALA 80 HA ALA 80 -1.946 5.949 -7.784 612 1HB ALA 80 1HB ALA 80 -2.527 3.255 -6.738 613 2HB ALA 80 2HB ALA 80 -0.864 3.473 -7.283 614 3HB ALA 80 3HB ALA 80 -1.535 4.539 -6.048 615 H ASP 81 H ASP 81 0.189 4.341 -8.568 616 HA ASP 81 HA ASP 81 -0.420 3.797 -11.446 617 1HB ASP 81 1HB ASP 81 2.084 5.068 -10.298 618 2HB ASP 81 2HB ASP 81 1.810 4.695 -12.001 619 H THR 82 H THR 82 2.015 3.218 -8.882 620 HA THR 82 HA THR 82 2.617 0.601 -10.165 621 HB THR 82 HB THR 82 4.048 2.233 -8.052 622 HG1 THR 82 HG1 THR 82 4.610 1.388 -10.693 623 1HG2 THR 82 1HG2 THR 82 4.027 -0.615 -8.410 624 2HG2 THR 82 2HG2 THR 82 5.605 0.011 -8.885 625 3HG2 THR 82 3HG2 THR 82 4.974 0.342 -7.271 626 H ALA 83 H ALA 83 1.574 -1.148 -9.360 627 HA ALA 83 HA ALA 83 1.162 -1.371 -6.442 628 1HB ALA 83 1HB ALA 83 -0.896 -0.338 -7.865 629 2HB ALA 83 2HB ALA 83 -1.231 -2.058 -8.065 630 3HB ALA 83 3HB ALA 83 -1.130 -1.361 -6.448 631 H ILE 84 H ILE 84 0.434 -3.625 -5.873 632 HA ILE 84 HA ILE 84 0.827 -5.644 -7.990 633 HB ILE 84 HB ILE 84 2.616 -5.300 -5.578 634 1HG1 ILE 84 1HG1 ILE 84 3.172 -5.765 -8.526 635 2HG1 ILE 84 2HG1 ILE 84 3.270 -4.205 -7.709 636 1HG2 ILE 84 1HG2 ILE 84 1.854 -7.760 -7.094 637 2HG2 ILE 84 2HG2 ILE 84 3.531 -7.581 -6.577 638 3HG2 ILE 84 3HG2 ILE 84 2.232 -7.569 -5.382 639 1HD1 ILE 84 1HD1 ILE 84 4.793 -5.976 -6.135 640 2HD1 ILE 84 2HD1 ILE 84 5.233 -6.330 -7.806 641 3HD1 ILE 84 3HD1 ILE 84 5.403 -4.691 -7.177 642 H ARG 85 H ARG 85 -0.856 -7.034 -7.698 643 HA ARG 85 HA ARG 85 -2.423 -7.090 -5.284 644 1HB ARG 85 1HB ARG 85 -3.571 -9.011 -6.342 645 2HB ARG 85 2HB ARG 85 -3.381 -7.673 -7.476 646 1HG ARG 85 1HG ARG 85 -1.092 -8.951 -8.008 647 2HG ARG 85 2HG ARG 85 -2.029 -10.333 -7.440 648 1HD ARG 85 1HD ARG 85 -3.750 -8.866 -9.134 649 2HD ARG 85 2HD ARG 85 -2.200 -8.957 -9.971 650 HE ARG 85 HE ARG 85 -2.516 -11.538 -9.203 651 1HH1 ARG 85 1HH1 ARG 85 -5.408 -11.292 -8.829 652 2HH1 ARG 85 2HH1 ARG 85 -6.044 -11.578 -10.414 653 1HH2 ARG 85 1HH2 ARG 85 -3.018 -11.030 -12.016 654 2HH2 ARG 85 2HH2 ARG 85 -4.691 -11.428 -12.219 655 H GLY 86 H GLY 86 -1.132 -7.655 -3.504 656 1HA GLY 86 1HA GLY 86 0.034 -9.080 -2.049 657 2HA GLY 86 2HA GLY 86 -0.811 -10.390 -2.876 658 H GLN 87 H GLN 87 0.434 -11.776 -4.037 659 HA GLN 87 HA GLN 87 3.034 -10.804 -5.112 660 1HB GLN 87 1HB GLN 87 3.950 -13.120 -4.351 661 2HB GLN 87 2HB GLN 87 3.812 -11.841 -3.146 662 1HG GLN 87 1HG GLN 87 2.235 -12.968 -1.980 663 2HG GLN 87 2HG GLN 87 1.341 -13.383 -3.444 664 1HE2 GLN 87 2HE2 GLN 87 3.252 -14.711 -0.971 665 2HE2 GLN 87 1HE2 GLN 87 3.644 -16.180 -1.725 666 H ASP 88 H ASP 88 1.034 -11.017 -6.813 667 HA ASP 88 HA ASP 88 0.365 -13.584 -7.835 668 1HB ASP 88 1HB ASP 88 -0.794 -11.475 -8.464 669 2HB ASP 88 2HB ASP 88 0.638 -10.983 -9.372 670 H LEU 89 H LEU 89 3.011 -11.360 -8.734 671 HA LEU 89 HA LEU 89 4.080 -13.119 -10.762 672 1HB LEU 89 1HB LEU 89 5.451 -10.900 -9.212 673 2HB LEU 89 2HB LEU 89 6.039 -11.632 -10.706 674 HG LEU 89 HG LEU 89 3.322 -10.843 -11.115 675 1HD1 LEU 89 1HD1 LEU 89 4.996 -8.948 -9.542 676 2HD1 LEU 89 2HD1 LEU 89 4.090 -8.271 -10.895 677 3HD1 LEU 89 3HD1 LEU 89 3.241 -9.117 -9.601 678 1HD2 LEU 89 1HD2 LEU 89 6.037 -10.272 -12.204 679 2HD2 LEU 89 2HD2 LEU 89 4.587 -10.834 -13.037 680 3HD2 LEU 89 3HD2 LEU 89 4.757 -9.130 -12.617 681 H ASP 90 H ASP 90 5.895 -12.118 -7.860 682 HA ASP 90 HA ASP 90 6.300 -14.949 -7.114 683 1HB ASP 90 1HB ASP 90 8.695 -13.183 -7.660 684 2HB ASP 90 2HB ASP 90 8.681 -14.915 -7.327 685 H GLU 91 H GLU 91 8.601 -14.318 -5.445 686 HA GLU 91 HA GLU 91 7.681 -12.170 -3.647 687 1HB GLU 91 1HB GLU 91 7.769 -13.859 -1.694 688 2HB GLU 91 2HB GLU 91 6.337 -13.886 -2.721 689 1HG GLU 91 1HG GLU 91 7.973 -15.625 -4.057 690 2HG GLU 91 2HG GLU 91 8.455 -15.918 -2.386 691 H ALA 92 H ALA 92 9.910 -14.957 -3.947 692 HA ALA 92 HA ALA 92 11.939 -13.680 -2.302 693 1HB ALA 92 1HB ALA 92 11.489 -16.260 -3.241 694 2HB ALA 92 2HB ALA 92 12.915 -15.739 -4.137 695 3HB ALA 92 3HB ALA 92 12.924 -15.716 -2.374 696 H ARG 93 H ARG 93 10.903 -13.229 -5.489 697 HA ARG 93 HA ARG 93 13.514 -12.528 -6.617 698 1HB ARG 93 1HB ARG 93 11.086 -13.219 -7.711 699 2HB ARG 93 2HB ARG 93 11.106 -11.472 -7.948 700 1HG ARG 93 1HG ARG 93 13.654 -12.836 -8.570 701 2HG ARG 93 2HG ARG 93 12.309 -13.249 -9.636 702 1HD ARG 93 1HD ARG 93 11.991 -10.996 -10.296 703 2HD ARG 93 2HD ARG 93 12.944 -10.380 -8.946 704 HE ARG 93 HE ARG 93 14.070 -10.804 -11.412 705 1HH1 ARG 93 1HH2 ARG 93 15.711 -10.220 -8.952 706 2HH1 ARG 93 2HH2 ARG 93 16.776 -11.585 -8.905 707 1HH2 ARG 93 1HH1 ARG 93 14.872 -13.481 -11.097 708 2HH2 ARG 93 2HH1 ARG 93 16.301 -13.432 -10.120 709 H ALA 94 H ALA 94 11.356 -11.022 -4.510 710 HA ALA 94 HA ALA 94 11.941 -8.282 -5.450 711 1HB ALA 94 1HB ALA 94 10.283 -9.398 -3.176 712 2HB ALA 94 2HB ALA 94 10.564 -7.669 -3.388 713 3HB ALA 94 3HB ALA 94 9.709 -8.583 -4.632 714 H MET 95 H MET 95 13.044 -10.594 -3.103 715 HA MET 95 HA MET 95 14.269 -8.850 -1.218 716 1HB MET 95 1HB MET 95 14.352 -11.678 -1.888 717 2HB MET 95 2HB MET 95 15.945 -11.081 -1.425 718 1HG MET 95 1HG MET 95 14.000 -9.947 0.346 719 2HG MET 95 2HG MET 95 13.748 -11.691 0.279 720 1HE MET 95 1HE MET 95 15.323 -13.431 0.742 721 2HE MET 95 2HE MET 95 16.623 -12.887 -0.327 722 3HE MET 95 3HE MET 95 16.967 -13.287 1.355 723 H GLU 96 H GLU 96 15.377 -10.056 -4.354 724 HA GLU 96 HA GLU 96 18.092 -9.314 -4.221 725 1HB GLU 96 1HB GLU 96 16.497 -10.357 -6.161 726 2HB GLU 96 2HB GLU 96 16.716 -8.718 -6.776 727 1HG GLU 96 1HG GLU 96 19.132 -10.153 -5.759 728 2HG GLU 96 2HG GLU 96 18.476 -10.650 -7.320 729 H ALA 97 H ALA 97 15.230 -7.313 -4.756 730 HA ALA 97 HA ALA 97 16.660 -4.949 -5.573 731 1HB ALA 97 1HB ALA 97 14.175 -5.396 -5.870 732 2HB ALA 97 2HB ALA 97 13.987 -5.028 -4.156 733 3HB ALA 97 3HB ALA 97 14.583 -3.790 -5.262 734 H LYS 98 H LYS 98 15.470 -6.086 -2.409 735 HA LYS 98 HA LYS 98 16.239 -3.772 -0.927 736 1HB LYS 98 1HB LYS 98 14.762 -5.620 -0.080 737 2HB LYS 98 2HB LYS 98 16.198 -6.634 0.068 738 1HG LYS 98 1HG LYS 98 16.956 -4.289 1.337 739 2HG LYS 98 2HG LYS 98 15.265 -4.471 1.807 740 1HD LYS 98 1HD LYS 98 16.187 -5.812 3.425 741 2HD LYS 98 2HD LYS 98 16.079 -7.018 2.142 742 1HE LYS 98 1HE LYS 98 18.343 -7.007 1.752 743 2HE LYS 98 2HE LYS 98 18.514 -5.303 2.171 744 1HZ LYS 98 1HZ LYS 98 18.048 -7.516 4.098 745 2HZ LYS 98 2HZ LYS 98 19.531 -6.739 3.831 746 3HZ LYS 98 3HZ LYS 98 18.228 -5.874 4.495 747 H ARG 99 H ARG 99 18.132 -6.268 -2.367 748 HA ARG 99 HA ARG 99 20.397 -6.133 -0.580 749 1HB ARG 99 1HB ARG 99 19.913 -7.967 -2.287 750 2HB ARG 99 2HB ARG 99 20.490 -6.845 -3.520 751 1HG ARG 99 1HG ARG 99 22.658 -6.681 -2.433 752 2HG ARG 99 2HG ARG 99 22.092 -7.664 -1.081 753 1HD ARG 99 1HD ARG 99 21.656 -9.528 -2.726 754 2HD ARG 99 2HD ARG 99 22.459 -8.549 -3.955 755 HE ARG 99 HE ARG 99 24.168 -8.767 -1.671 756 1HH1 ARG 99 1HH1 ARG 99 24.114 -9.564 -4.827 757 2HH1 ARG 99 2HH1 ARG 99 24.880 -11.112 -4.683 758 1HH2 ARG 99 1HH2 ARG 99 24.603 -11.219 -1.226 759 2HH2 ARG 99 2HH2 ARG 99 25.158 -12.048 -2.642 760 H LYS 100 H LYS 100 19.753 -4.620 -3.764 761 HA LYS 100 HA LYS 100 22.137 -2.919 -3.463 762 1HB LYS 100 1HB LYS 100 19.992 -2.764 -5.596 763 2HB LYS 100 2HB LYS 100 21.638 -2.134 -5.682 764 1HG LYS 100 1HG LYS 100 21.168 -5.066 -5.194 765 2HG LYS 100 2HG LYS 100 21.108 -4.419 -6.834 766 1HD LYS 100 1HD LYS 100 23.358 -3.788 -6.811 767 2HD LYS 100 2HD LYS 100 23.427 -3.736 -5.049 768 1HE LYS 100 1HE LYS 100 22.719 -6.383 -5.687 769 2HE LYS 100 2HE LYS 100 23.995 -5.950 -6.825 770 1HZ LYS 100 1HZ LYS 100 24.933 -4.923 -4.538 771 2HZ LYS 100 2HZ LYS 100 24.115 -6.294 -3.958 772 3HZ LYS 100 3HZ LYS 100 25.337 -6.462 -5.126 773 H ALA 101 H ALA 101 18.920 -2.808 -2.437 774 HA ALA 101 HA ALA 101 18.513 0.066 -2.703 775 1HB ALA 101 1HB ALA 101 16.955 -2.196 -1.917 776 2HB ALA 101 2HB ALA 101 16.920 -1.030 -0.593 777 3HB ALA 101 3HB ALA 101 16.403 -0.545 -2.209 778 H GLU 102 H GLU 102 19.862 -2.105 -0.293 779 HA GLU 102 HA GLU 102 19.902 -0.185 1.867 780 1HB GLU 102 1HB GLU 102 20.091 -2.479 2.483 781 2HB GLU 102 2HB GLU 102 21.392 -2.762 1.325 782 1HG GLU 102 1HG GLU 102 21.998 -0.632 3.249 783 2HG GLU 102 2HG GLU 102 21.746 -2.204 4.007 784 H GLU 103 H GLU 103 21.883 -0.735 -0.930 785 HA GLU 103 HA GLU 103 24.266 0.568 0.082 786 1HB GLU 103 1HB GLU 103 23.765 -0.995 -2.073 787 2HB GLU 103 2HB GLU 103 23.715 0.595 -2.835 788 1HG GLU 103 1HG GLU 103 26.002 -0.393 -2.839 789 2HG GLU 103 2HG GLU 103 25.923 1.130 -1.955 790 H HIS 104 H HIS 104 21.242 1.673 -1.191 791 HA HIS 104 HA HIS 104 22.263 4.297 -2.000 792 1HB HIS 104 1HB HIS 104 19.534 3.039 -1.804 793 2HB HIS 104 2HB HIS 104 19.700 4.779 -2.045 794 HD1 HIS 104 HD1 HIS 104 20.541 5.598 -4.323 795 HD2 HIS 104 HD2 HIS 104 20.543 1.443 -3.987 796 HE1 HIS 104 HE1 HIS 104 20.982 4.691 -6.646 797 H ILE 105 H ILE 105 20.590 2.910 0.802 798 HA ILE 105 HA ILE 105 20.279 5.505 2.103 799 HB ILE 105 HB ILE 105 20.166 2.838 3.505 800 1HG1 ILE 105 1HG1 ILE 105 18.880 2.505 1.476 801 2HG1 ILE 105 2HG1 ILE 105 17.744 2.778 2.797 802 1HG2 ILE 105 1HG2 ILE 105 19.355 5.607 4.008 803 2HG2 ILE 105 2HG2 ILE 105 18.043 4.456 4.262 804 3HG2 ILE 105 3HG2 ILE 105 19.559 4.274 5.145 805 1HD1 ILE 105 1HD1 ILE 105 18.350 5.340 1.836 806 2HD1 ILE 105 2HD1 ILE 105 18.164 4.347 0.389 807 3HD1 ILE 105 3HD1 ILE 105 16.855 4.443 1.568 808 H SER 106 H SER 106 22.681 2.969 2.012 809 HA SER 106 HA SER 106 24.091 3.922 4.393 810 1HB SER 106 1HB SER 106 25.753 2.243 3.828 811 2HB SER 106 2HB SER 106 24.153 1.536 3.623 812 HG SER 106 HG SER 106 25.981 2.448 1.673 813 H SER 107 H SER 107 23.851 4.960 1.183 814 HA SER 107 HA SER 107 26.567 6.190 1.257 815 1HB SER 107 1HB SER 107 25.831 4.872 -0.784 816 2HB SER 107 2HB SER 107 24.630 6.128 -1.070 817 HG SER 107 HG SER 107 26.176 7.228 -1.950 818 H SER 108 H SER 108 26.746 8.362 1.602 819 HA SER 108 HA SER 108 24.319 10.053 1.226 820 1HB SER 108 1HB SER 108 24.883 11.233 3.355 821 2HB SER 108 2HB SER 108 24.423 9.553 3.612 822 HG SER 108 HG SER 108 27.116 10.145 3.154 823 H HIS 109 H HIS 109 24.782 12.126 0.467 824 HA HIS 109 HA HIS 109 27.249 13.487 0.633 825 1HB HIS 109 1HB HIS 109 27.134 11.388 -1.441 826 2HB HIS 109 2HB HIS 109 27.665 12.965 -2.021 827 HD1 HIS 109 HD1 HIS 109 29.307 14.039 0.244 828 HD2 HIS 109 HD2 HIS 109 29.473 10.027 -0.876 829 HE1 HIS 109 HE1 HIS 109 31.516 13.147 1.104 830 H GLY 110 H GLY 110 24.485 14.114 0.651 831 1HA GLY 110 1HA GLY 110 24.459 16.349 -1.182 832 2HA GLY 110 2HA GLY 110 23.343 15.086 -1.707 833 H ASP 111 H ASP 111 22.508 17.687 -0.842 834 HA ASP 111 HA ASP 111 21.677 17.741 1.891 835 1HB ASP 111 1HB ASP 111 21.363 19.377 -0.410 836 2HB ASP 111 2HB ASP 111 19.747 19.062 0.222 837 H VAL 112 H VAL 112 19.401 17.397 -0.839 838 HA VAL 112 HA VAL 112 17.799 15.561 0.873 839 HB VAL 112 HB VAL 112 15.947 16.062 -0.636 840 1HG1 VAL 112 1HG1 VAL 112 16.979 17.790 1.140 841 2HG1 VAL 112 2HG1 VAL 112 17.171 18.763 -0.319 842 3HG1 VAL 112 3HG1 VAL 112 15.571 18.192 0.156 843 1HG2 VAL 112 1HG2 VAL 112 17.958 16.478 -2.508 844 2HG2 VAL 112 2HG2 VAL 112 16.247 16.833 -2.749 845 3HG2 VAL 112 3HG2 VAL 112 17.343 18.105 -2.209 846 H ASP 113 H ASP 113 20.271 14.972 -0.890 847 HA ASP 113 HA ASP 113 19.464 13.393 -3.111 848 1HB ASP 113 1HB ASP 113 21.799 14.075 -2.713 849 2HB ASP 113 2HB ASP 113 21.862 13.041 -1.286 850 H TYR 114 H TYR 114 21.115 11.452 -0.745 851 HA TYR 114 HA TYR 114 19.165 9.358 -0.949 852 1HB TYR 114 1HB TYR 114 20.532 8.142 0.542 853 2HB TYR 114 2HB TYR 114 21.677 9.211 -0.266 854 HD1 TYR 114 HD1 TYR 114 22.281 11.428 0.878 855 HD2 TYR 114 HD2 TYR 114 20.250 8.218 2.885 856 HE1 TYR 114 HE1 TYR 114 22.922 12.393 3.072 857 HE2 TYR 114 HE2 TYR 114 20.891 9.183 5.078 858 HH TYR 114 HH TYR 114 21.510 11.463 5.970 859 H ALA 115 H ALA 115 19.458 12.167 1.023 860 HA ALA 115 HA ALA 115 17.977 11.485 3.321 861 1HB ALA 115 1HB ALA 115 18.817 13.891 1.969 862 2HB ALA 115 2HB ALA 115 17.147 14.077 2.513 863 3HB ALA 115 3HB ALA 115 18.412 13.672 3.673 864 H GLN 116 H GLN 116 16.924 12.193 0.039 865 HA GLN 116 HA GLN 116 14.074 12.070 0.799 866 1HB GLN 116 1HB GLN 116 15.641 12.905 -1.552 867 2HB GLN 116 2HB GLN 116 14.169 12.023 -1.959 868 1HG GLN 116 1HG GLN 116 13.903 14.086 0.160 869 2HG GLN 116 2HG GLN 116 14.195 14.684 -1.474 870 1HE2 GLN 116 2HE2 GLN 116 12.569 14.207 -3.128 871 2HE2 GLN 116 1HE2 GLN 116 11.012 13.679 -2.703 872 H ALA 117 H ALA 117 16.584 10.021 -0.467 873 HA ALA 117 HA ALA 117 14.892 8.022 -1.662 874 1HB ALA 117 1HB ALA 117 17.484 8.384 -1.844 875 2HB ALA 117 2HB ALA 117 17.543 7.367 -0.404 876 3HB ALA 117 3HB ALA 117 16.837 6.743 -1.895 877 H SER 118 H SER 118 15.695 8.805 1.615 878 HA SER 118 HA SER 118 15.359 6.282 2.870 879 1HB SER 118 1HB SER 118 15.080 9.124 3.709 880 2HB SER 118 2HB SER 118 14.289 7.922 4.726 881 HG SER 118 HG SER 118 16.977 8.395 4.256 882 H ALA 119 H ALA 119 13.034 8.456 1.436 883 HA ALA 119 HA ALA 119 10.754 7.024 2.654 884 1HB ALA 119 1HB ALA 119 11.128 9.623 1.702 885 2HB ALA 119 2HB ALA 119 10.105 8.861 0.483 886 3HB ALA 119 3HB ALA 119 9.589 8.899 2.169 887 H GLU 120 H GLU 120 12.339 7.392 -0.498 888 HA GLU 120 HA GLU 120 10.393 5.692 -1.858 889 1HB GLU 120 1HB GLU 120 13.157 6.564 -2.755 890 2HB GLU 120 2HB GLU 120 11.893 5.884 -3.781 891 1HG GLU 120 1HG GLU 120 11.578 8.442 -2.184 892 2HG GLU 120 2HG GLU 120 12.035 8.394 -3.888 893 H LEU 121 H LEU 121 12.888 5.053 0.288 894 HA LEU 121 HA LEU 121 13.712 2.520 -0.990 895 1HB LEU 121 1HB LEU 121 15.035 4.270 0.661 896 2HB LEU 121 2HB LEU 121 14.539 3.014 1.795 897 HG LEU 121 HG LEU 121 16.751 2.515 0.791 898 1HD1 LEU 121 1HD1 LEU 121 14.688 0.797 1.205 899 2HD1 LEU 121 2HD1 LEU 121 15.011 0.492 -0.502 900 3HD1 LEU 121 3HD1 LEU 121 16.294 0.277 0.690 901 1HD2 LEU 121 1HD2 LEU 121 15.439 3.417 -1.568 902 2HD2 LEU 121 2HD2 LEU 121 17.111 2.880 -1.403 903 3HD2 LEU 121 3HD2 LEU 121 15.850 1.720 -1.821 904 H ALA 122 H ALA 122 12.158 3.533 2.075 905 HA ALA 122 HA ALA 122 11.515 0.889 2.939 906 1HB ALA 122 1HB ALA 122 11.416 3.041 4.311 907 2HB ALA 122 2HB ALA 122 9.867 3.357 3.529 908 3HB ALA 122 3HB ALA 122 10.069 1.924 4.538 909 H LYS 123 H LYS 123 9.960 3.066 0.671 910 HA LYS 123 HA LYS 123 7.423 1.686 0.576 911 1HB LYS 123 1HB LYS 123 8.838 3.695 -1.141 912 2HB LYS 123 2HB LYS 123 7.442 2.846 -1.806 913 1HG LYS 123 1HG LYS 123 6.049 3.586 0.050 914 2HG LYS 123 2HG LYS 123 7.442 4.336 0.834 915 1HD LYS 123 1HD LYS 123 7.188 5.264 -1.902 916 2HD LYS 123 2HD LYS 123 5.695 5.547 -1.006 917 1HE LYS 123 1HE LYS 123 7.330 6.410 0.871 918 2HE LYS 123 2HE LYS 123 8.453 6.611 -0.475 919 1HZ LYS 123 1HZ LYS 123 6.724 7.905 -1.622 920 2HZ LYS 123 2HZ LYS 123 5.738 7.790 -0.243 921 3HZ LYS 123 3HZ LYS 123 7.214 8.624 -0.162 922 H ALA 124 H ALA 124 10.549 1.111 -0.835 923 HA ALA 124 HA ALA 124 9.611 -0.596 -2.989 924 1HB ALA 124 1HB ALA 124 12.319 -0.263 -1.672 925 2HB ALA 124 2HB ALA 124 12.034 -1.316 -3.059 926 3HB ALA 124 3HB ALA 124 11.788 0.424 -3.207 927 H ILE 125 H ILE 125 10.530 -1.083 0.378 928 HA ILE 125 HA ILE 125 10.565 -3.998 0.130 929 HB ILE 125 HB ILE 125 10.704 -2.079 2.461 930 1HG1 ILE 125 1HG1 ILE 125 12.954 -2.932 2.667 931 2HG1 ILE 125 2HG1 ILE 125 12.633 -4.209 1.494 932 1HG2 ILE 125 1HG2 ILE 125 10.158 -5.018 2.435 933 2HG2 ILE 125 2HG2 ILE 125 11.274 -4.400 3.653 934 3HG2 ILE 125 3HG2 ILE 125 9.622 -3.788 3.580 935 1HD1 ILE 125 1HD1 ILE 125 12.482 -1.253 0.846 936 2HD1 ILE 125 2HD1 ILE 125 13.905 -2.251 0.547 937 3HD1 ILE 125 3HD1 ILE 125 12.393 -2.598 -0.293 938 H ALA 126 H ALA 126 8.099 -1.792 0.051 939 HA ALA 126 HA ALA 126 6.154 -2.843 1.837 940 1HB ALA 126 1HB ALA 126 5.825 -1.547 -0.885 941 2HB ALA 126 2HB ALA 126 4.489 -1.879 0.218 942 3HB ALA 126 3HB ALA 126 5.757 -0.745 0.684 943 H GLN 127 H GLN 127 7.409 -4.071 -1.170 944 HA GLN 127 HA GLN 127 5.214 -5.843 -1.784 945 1HB GLN 127 1HB GLN 127 7.691 -5.142 -2.956 946 2HB GLN 127 2HB GLN 127 7.749 -6.884 -2.685 947 1HG GLN 127 1HG GLN 127 5.180 -6.498 -3.638 948 2HG GLN 127 2HG GLN 127 6.129 -5.349 -4.584 949 1HE2 GLN 127 2HE2 GLN 127 8.095 -6.278 -5.725 950 2HE2 GLN 127 1HE2 GLN 127 8.053 -7.900 -6.221 951 H LEU 128 H LEU 128 8.319 -6.312 -0.076 952 HA LEU 128 HA LEU 128 7.889 -9.095 0.482 953 1HB LEU 128 1HB LEU 128 9.995 -7.395 0.800 954 2HB LEU 128 2HB LEU 128 9.437 -7.541 2.468 955 HG LEU 128 HG LEU 128 9.323 -10.132 1.774 956 1HD1 LEU 128 1HD1 LEU 128 10.405 -9.092 -0.510 957 2HD1 LEU 128 2HD1 LEU 128 11.862 -9.512 0.391 958 3HD1 LEU 128 3HD1 LEU 128 10.656 -10.750 0.033 959 1HD2 LEU 128 1HD2 LEU 128 11.344 -8.382 3.011 960 2HD2 LEU 128 2HD2 LEU 128 10.666 -9.902 3.595 961 3HD2 LEU 128 3HD2 LEU 128 11.992 -9.915 2.431 962 H ARG 129 H ARG 129 6.468 -6.261 1.773 963 HA ARG 129 HA ARG 129 5.837 -7.425 4.388 964 1HB ARG 129 1HB ARG 129 4.535 -5.012 3.109 965 2HB ARG 129 2HB ARG 129 4.681 -5.381 4.829 966 1HG ARG 129 1HG ARG 129 7.185 -5.152 3.203 967 2HG ARG 129 2HG ARG 129 6.346 -3.672 3.673 968 1HD ARG 129 1HD ARG 129 6.297 -4.816 6.051 969 2HD ARG 129 2HD ARG 129 7.656 -5.739 5.408 970 HE ARG 129 HE ARG 129 8.291 -3.099 4.824 971 1HH1 ARG 129 1HH1 ARG 129 8.865 -5.300 7.205 972 2HH1 ARG 129 2HH1 ARG 129 9.151 -4.162 8.478 973 1HH2 ARG 129 1HH2 ARG 129 8.033 -1.437 6.647 974 2HH2 ARG 129 2HH2 ARG 129 8.676 -1.974 8.163 975 H VAL 130 H VAL 130 4.385 -7.274 1.217 976 HA VAL 130 HA VAL 130 1.752 -8.137 2.226 977 HB VAL 130 HB VAL 130 1.091 -8.113 -0.146 978 1HG1 VAL 130 1HG1 VAL 130 2.136 -5.878 1.347 979 2HG1 VAL 130 2HG1 VAL 130 2.399 -5.613 -0.377 980 3HG1 VAL 130 3HG1 VAL 130 0.772 -5.918 0.231 981 1HG2 VAL 130 1HG2 VAL 130 3.667 -8.758 -0.683 982 2HG2 VAL 130 2HG2 VAL 130 2.588 -8.043 -1.883 983 3HG2 VAL 130 3HG2 VAL 130 3.723 -7.024 -0.996 984 H ILE 131 H ILE 131 4.676 -9.539 1.064 985 HA ILE 131 HA ILE 131 3.382 -12.109 0.388 986 HB ILE 131 HB ILE 131 5.541 -12.806 -0.386 987 1HG1 ILE 131 1HG1 ILE 131 6.564 -10.403 1.156 988 2HG1 ILE 131 2HG1 ILE 131 6.915 -12.101 1.478 989 1HG2 ILE 131 1HG2 ILE 131 4.233 -10.707 -1.465 990 2HG2 ILE 131 2HG2 ILE 131 5.770 -9.925 -1.094 991 3HG2 ILE 131 3HG2 ILE 131 5.733 -11.342 -2.144 992 1HD1 ILE 131 1HD1 ILE 131 7.891 -12.181 -0.897 993 2HD1 ILE 131 2HD1 ILE 131 7.831 -10.419 -0.859 994 3HD1 ILE 131 3HD1 ILE 131 8.822 -11.294 0.309 995 H GLU 132 H GLU 132 5.695 -10.835 2.788 996 HA GLU 132 HA GLU 132 6.102 -13.287 4.180 997 1HB GLU 132 1HB GLU 132 6.125 -10.497 5.364 998 2HB GLU 132 2HB GLU 132 6.956 -11.920 5.994 999 1HG GLU 132 1HG GLU 132 7.560 -11.282 3.172 1000 2HG GLU 132 2HG GLU 132 8.123 -10.086 4.341 1001 H LEU 133 H LEU 133 3.425 -11.050 4.211 1002 HA LEU 133 HA LEU 133 2.336 -12.182 6.711 1003 1HB LEU 133 1HB LEU 133 1.441 -10.030 4.798 1004 2HB LEU 133 2HB LEU 133 0.358 -10.650 6.045 1005 HG LEU 133 HG LEU 133 1.859 -9.984 7.797 1006 1HD1 LEU 133 1HD1 LEU 133 3.787 -9.608 5.512 1007 2HD1 LEU 133 2HD1 LEU 133 4.021 -8.740 7.029 1008 3HD1 LEU 133 3HD1 LEU 133 4.015 -10.503 7.015 1009 1HD2 LEU 133 1HD2 LEU 133 0.470 -8.214 6.532 1010 2HD2 LEU 133 2HD2 LEU 133 1.775 -7.625 7.561 1011 3HD2 LEU 133 3HD2 LEU 133 1.999 -7.712 5.813 1012 H THR 134 H THR 134 1.688 -12.276 3.227 1013 HA THR 134 HA THR 134 -0.778 -13.652 3.267 1014 HB THR 134 HB THR 134 0.069 -14.645 1.046 1015 HG1 THR 134 HG1 THR 134 2.110 -14.435 0.709 1016 1HG2 THR 134 1HG2 THR 134 0.026 -11.674 1.610 1017 2HG2 THR 134 2HG2 THR 134 0.102 -12.338 -0.022 1018 3HG2 THR 134 3HG2 THR 134 -1.292 -12.677 1.004 1019 H LYS 135 H LYS 135 2.533 -14.936 3.485 1020 HA LYS 135 HA LYS 135 1.838 -17.698 3.400 1021 1HB LYS 135 1HB LYS 135 4.023 -18.119 4.329 1022 2HB LYS 135 2HB LYS 135 4.167 -16.742 3.235 1023 1HG LYS 135 1HG LYS 135 3.626 -15.380 5.463 1024 2HG LYS 135 2HG LYS 135 4.318 -16.817 6.218 1025 1HD LYS 135 1HD LYS 135 5.693 -15.351 3.958 1026 2HD LYS 135 2HD LYS 135 5.973 -14.953 5.654 1027 1HE LYS 135 1HE LYS 135 6.187 -17.816 4.789 1028 2HE LYS 135 2HE LYS 135 7.518 -16.715 4.429 1029 1HZ LYS 135 1HZ LYS 135 6.631 -16.338 7.085 1030 2HZ LYS 135 2HZ LYS 135 6.987 -17.976 6.833 1031 3HZ LYS 135 3HZ LYS 135 8.169 -16.796 6.527 1032 H LYS 136 H LYS 136 1.691 -15.341 6.003 1033 HA LYS 136 HA LYS 136 0.809 -17.526 7.845 1034 1HB LYS 136 1HB LYS 136 2.669 -15.444 8.226 1035 2HB LYS 136 2HB LYS 136 1.242 -14.979 9.154 1036 1HG LYS 136 1HG LYS 136 2.708 -17.628 9.334 1037 2HG LYS 136 2HG LYS 136 2.718 -16.348 10.546 1038 1HD LYS 136 1HD LYS 136 0.222 -16.590 10.728 1039 2HD LYS 136 2HD LYS 136 0.330 -17.990 9.660 1040 1HE LYS 136 1HE LYS 136 1.991 -17.808 12.171 1041 2HE LYS 136 2HE LYS 136 0.344 -18.436 12.205 1042 1HZ LYS 136 1HZ LYS 136 2.332 -19.459 10.278 1043 2HZ LYS 136 2HZ LYS 136 2.243 -20.080 11.854 1044 3HZ LYS 136 3HZ LYS 136 0.898 -20.195 10.821 1045 H ALA 137 H ALA 137 -0.866 -16.217 5.792 1046 HA ALA 137 HA ALA 137 -2.876 -14.969 7.626 1047 1HB ALA 137 1HB ALA 137 -1.667 -13.869 5.288 1048 2HB ALA 137 2HB ALA 137 -3.358 -14.201 4.911 1049 3HB ALA 137 3HB ALA 137 -2.946 -13.169 6.281 1050 H MET 138 H MET 138 -2.171 -17.615 5.731 1051 HA MET 138 HA MET 138 -4.933 -18.549 5.830 1052 1HB MET 138 1HB MET 138 -3.956 -17.276 3.437 1053 2HB MET 138 2HB MET 138 -4.244 -18.986 3.114 1054 1HG MET 138 1HG MET 138 -6.384 -17.929 4.732 1055 2HG MET 138 2HG MET 138 -6.177 -16.933 3.292 1056 1HE MET 138 1HE MET 138 -7.314 -19.645 5.020 1057 2HE MET 138 2HE MET 138 -8.401 -20.501 3.917 1058 3HE MET 138 3HE MET 138 -6.760 -21.089 4.175 Start of MODEL 10 1 1H ALA 1 1H ALA 1 -19.326 3.847 10.692 2 2H ALA 1 2H ALA 1 -20.422 5.116 10.969 3 3H ALA 1 3H ALA 1 -20.402 3.767 12.001 4 HA ALA 1 HA ALA 1 -22.234 3.354 10.670 5 1HB ALA 1 1HB ALA 1 -20.906 5.130 8.927 6 2HB ALA 1 2HB ALA 1 -21.093 3.627 8.024 7 3HB ALA 1 3HB ALA 1 -22.508 4.427 8.708 8 H MET 2 H MET 2 -20.180 1.689 11.676 9 HA MET 2 HA MET 2 -19.072 -0.365 11.303 10 1HB MET 2 1HB MET 2 -20.589 -2.072 10.426 11 2HB MET 2 2HB MET 2 -21.482 -0.973 11.475 12 1HG MET 2 1HG MET 2 -22.340 0.243 9.548 13 2HG MET 2 2HG MET 2 -21.357 -0.733 8.457 14 1HE MET 2 1HE MET 2 -23.758 -0.446 11.083 15 2HE MET 2 2HE MET 2 -25.180 -0.858 10.127 16 3HE MET 2 3HE MET 2 -24.555 -2.009 11.307 17 H THR 3 H THR 3 -19.423 -2.091 8.985 18 HA THR 3 HA THR 3 -17.274 -1.464 7.378 19 HB THR 3 HB THR 3 -18.200 -3.549 6.891 20 HG1 THR 3 HG1 THR 3 -19.026 -3.384 4.744 21 1HG2 THR 3 1HG2 THR 3 -20.774 -2.052 7.090 22 2HG2 THR 3 2HG2 THR 3 -20.749 -3.521 6.113 23 3HG2 THR 3 3HG2 THR 3 -20.312 -3.589 7.821 24 H TYR 4 H TYR 4 -17.276 -0.693 5.077 25 HA TYR 4 HA TYR 4 -19.363 1.265 4.377 26 1HB TYR 4 1HB TYR 4 -17.801 3.112 4.095 27 2HB TYR 4 2HB TYR 4 -17.731 2.544 5.760 28 HD1 TYR 4 HD1 TYR 4 -15.945 0.546 6.134 29 HD2 TYR 4 HD2 TYR 4 -15.782 3.490 3.009 30 HE1 TYR 4 HE1 TYR 4 -13.504 0.191 5.927 31 HE2 TYR 4 HE2 TYR 4 -13.337 3.121 2.794 32 HH TYR 4 HH TYR 4 -11.714 0.530 4.526 33 H HIS 5 H HIS 5 -17.420 2.441 2.392 34 HA HIS 5 HA HIS 5 -17.074 0.043 0.650 35 1HB HIS 5 1HB HIS 5 -19.172 1.188 0.016 36 2HB HIS 5 2HB HIS 5 -18.284 2.696 -0.191 37 HD1 HIS 5 HD1 HIS 5 -16.030 2.248 -1.909 38 HD2 HIS 5 HD2 HIS 5 -19.453 -0.074 -2.404 39 HE1 HIS 5 HE1 HIS 5 -15.900 1.273 -4.240 40 H LEU 6 H LEU 6 -15.214 0.104 -0.627 41 HA LEU 6 HA LEU 6 -13.750 2.658 -0.715 42 1HB LEU 6 1HB LEU 6 -11.825 1.902 0.285 43 2HB LEU 6 2HB LEU 6 -13.011 0.954 1.180 44 HG LEU 6 HG LEU 6 -12.706 -0.772 -0.733 45 1HD1 LEU 6 1HD1 LEU 6 -10.646 1.255 -1.276 46 2HD1 LEU 6 2HD1 LEU 6 -10.022 -0.395 -1.225 47 3HD1 LEU 6 3HD1 LEU 6 -11.321 0.025 -2.343 48 1HD2 LEU 6 1HD2 LEU 6 -11.321 -0.255 1.734 49 2HD2 LEU 6 2HD2 LEU 6 -11.776 -1.807 1.033 50 3HD2 LEU 6 3HD2 LEU 6 -10.236 -1.062 0.603 51 H ASP 7 H ASP 7 -12.273 2.796 -2.560 52 HA ASP 7 HA ASP 7 -12.457 0.528 -4.479 53 1HB ASP 7 1HB ASP 7 -14.302 2.299 -4.848 54 2HB ASP 7 2HB ASP 7 -12.996 3.349 -5.401 55 H VAL 8 H VAL 8 -10.188 0.259 -4.038 56 HA VAL 8 HA VAL 8 -8.430 2.480 -4.959 57 HB VAL 8 HB VAL 8 -6.622 1.323 -3.880 58 1HG1 VAL 8 1HG1 VAL 8 -9.016 2.025 -2.504 59 2HG1 VAL 8 2HG1 VAL 8 -8.362 0.582 -1.728 60 3HG1 VAL 8 3HG1 VAL 8 -7.365 2.029 -1.880 61 1HG2 VAL 8 1HG2 VAL 8 -8.355 -0.980 -4.343 62 2HG2 VAL 8 2HG2 VAL 8 -6.611 -0.930 -4.080 63 3HG2 VAL 8 3HG2 VAL 8 -7.711 -0.961 -2.701 64 H VAL 9 H VAL 9 -6.937 2.088 -6.696 65 HA VAL 9 HA VAL 9 -7.077 -0.511 -8.080 66 HB VAL 9 HB VAL 9 -7.604 0.847 -10.261 67 1HG1 VAL 9 1HG1 VAL 9 -9.038 -0.897 -9.069 68 2HG1 VAL 9 2HG1 VAL 9 -9.846 0.448 -8.261 69 3HG1 VAL 9 3HG1 VAL 9 -9.925 0.294 -10.017 70 1HG2 VAL 9 1HG2 VAL 9 -7.555 2.973 -8.615 71 2HG2 VAL 9 2HG2 VAL 9 -8.591 2.919 -10.040 72 3HG2 VAL 9 3HG2 VAL 9 -9.256 2.546 -8.449 73 H SER 10 H SER 10 -5.651 -0.339 -10.165 74 HA SER 10 HA SER 10 -3.378 1.530 -9.643 75 1HB SER 10 1HB SER 10 -2.617 -1.040 -10.834 76 2HB SER 10 2HB SER 10 -1.885 -0.165 -9.493 77 HG SER 10 HG SER 10 -4.156 -1.865 -9.466 78 H ALA 11 H ALA 11 -1.888 0.404 -11.902 79 HA ALA 11 HA ALA 11 -2.967 2.034 -14.002 80 1HB ALA 11 1HB ALA 11 -0.552 0.725 -13.502 81 2HB ALA 11 2HB ALA 11 -1.184 -0.072 -14.943 82 3HB ALA 11 3HB ALA 11 -0.943 1.676 -14.935 83 H GLU 12 H GLU 12 -3.329 -1.372 -13.192 84 HA GLU 12 HA GLU 12 -5.047 -1.680 -15.623 85 1HB GLU 12 1HB GLU 12 -3.367 -3.688 -14.106 86 2HB GLU 12 2HB GLU 12 -4.623 -4.177 -15.244 87 1HG GLU 12 1HG GLU 12 -2.516 -2.191 -16.068 88 2HG GLU 12 2HG GLU 12 -2.183 -3.923 -16.125 89 H GLN 13 H GLN 13 -5.741 -0.654 -12.874 90 HA GLN 13 HA GLN 13 -7.356 -1.041 -11.192 91 1HB GLN 13 1HB GLN 13 -8.610 -2.093 -13.734 92 2HB GLN 13 2HB GLN 13 -9.503 -2.013 -12.216 93 1HG GLN 13 1HG GLN 13 -9.580 0.285 -12.218 94 2HG GLN 13 2HG GLN 13 -8.032 0.440 -13.051 95 1HE2 GLN 13 2HE2 GLN 13 -11.251 1.008 -13.537 96 2HE2 GLN 13 1HE2 GLN 13 -11.333 0.798 -15.219 97 H GLN 14 H GLN 14 -6.290 -2.568 -9.853 98 HA GLN 14 HA GLN 14 -7.514 -5.203 -9.784 99 1HB GLN 14 1HB GLN 14 -4.941 -4.841 -11.132 100 2HB GLN 14 2HB GLN 14 -4.850 -5.999 -9.806 101 1HG GLN 14 1HG GLN 14 -6.977 -6.085 -11.962 102 2HG GLN 14 2HG GLN 14 -5.484 -7.023 -12.023 103 1HE2 GLN 14 2HE2 GLN 14 -8.485 -7.779 -11.577 104 2HE2 GLN 14 1HE2 GLN 14 -8.429 -8.791 -10.215 105 H MET 15 H MET 15 -7.938 -3.994 -7.701 106 HA MET 15 HA MET 15 -5.909 -4.788 -5.710 107 1HB MET 15 1HB MET 15 -6.905 -1.930 -5.937 108 2HB MET 15 2HB MET 15 -5.859 -2.559 -4.663 109 1HG MET 15 1HG MET 15 -4.314 -3.297 -6.636 110 2HG MET 15 2HG MET 15 -5.231 -2.116 -7.573 111 1HE MET 15 1HE MET 15 -2.341 -2.814 -6.280 112 2HE MET 15 2HE MET 15 -1.564 -1.389 -5.577 113 3HE MET 15 3HE MET 15 -2.499 -2.482 -4.558 114 H PHE 16 H PHE 16 -8.694 -2.555 -5.612 115 HA PHE 16 HA PHE 16 -10.392 -4.574 -4.348 116 1HB PHE 16 1HB PHE 16 -8.853 -3.747 -2.502 117 2HB PHE 16 2HB PHE 16 -9.592 -2.158 -2.704 118 HD1 PHE 16 HD1 PHE 16 -10.180 -5.657 -1.670 119 HD2 PHE 16 HD2 PHE 16 -11.876 -1.736 -2.016 120 HE1 PHE 16 HE1 PHE 16 -12.088 -6.352 -0.250 121 HE2 PHE 16 HE2 PHE 16 -13.774 -2.407 -0.609 122 HZ PHE 16 HZ PHE 16 -13.887 -4.732 0.283 123 H SER 17 H SER 17 -12.537 -4.023 -4.659 124 HA SER 17 HA SER 17 -13.351 -1.233 -4.995 125 1HB SER 17 1HB SER 17 -14.215 -1.575 -7.310 126 2HB SER 17 2HB SER 17 -12.458 -1.661 -7.226 127 HG SER 17 HG SER 17 -14.337 -3.634 -7.747 128 H GLY 18 H GLY 18 -15.071 -1.419 -3.607 129 1HA GLY 18 1HA GLY 18 -17.563 -2.212 -4.101 130 2HA GLY 18 2HA GLY 18 -16.837 -3.793 -3.814 131 H LEU 19 H LEU 19 -18.348 -3.914 -1.950 132 HA LEU 19 HA LEU 19 -18.328 -2.111 0.229 133 1HB LEU 19 1HB LEU 19 -18.661 -5.124 0.330 134 2HB LEU 19 2HB LEU 19 -19.179 -3.982 1.571 135 HG LEU 19 HG LEU 19 -20.276 -4.354 -1.215 136 1HD1 LEU 19 1HD1 LEU 19 -21.080 -5.090 1.395 137 2HD1 LEU 19 2HD1 LEU 19 -22.163 -3.791 0.894 138 3HD1 LEU 19 3HD1 LEU 19 -22.010 -5.243 -0.096 139 1HD2 LEU 19 1HD2 LEU 19 -19.789 -1.931 -0.902 140 2HD2 LEU 19 2HD2 LEU 19 -21.526 -2.248 -0.934 141 3HD2 LEU 19 3HD2 LEU 19 -20.711 -1.956 0.603 142 H VAL 20 H VAL 20 -17.366 -2.862 2.497 143 HA VAL 20 HA VAL 20 -14.937 -4.345 2.552 144 HB VAL 20 HB VAL 20 -13.654 -2.927 1.324 145 1HG1 VAL 20 1HG1 VAL 20 -15.892 -1.040 1.806 146 2HG1 VAL 20 2HG1 VAL 20 -14.332 -0.345 1.354 147 3HG1 VAL 20 3HG1 VAL 20 -15.124 -1.512 0.292 148 1HG2 VAL 20 1HG2 VAL 20 -13.856 -1.390 3.916 149 2HG2 VAL 20 2HG2 VAL 20 -12.570 -2.486 3.388 150 3HG2 VAL 20 3HG2 VAL 20 -12.775 -0.920 2.601 151 H GLU 21 H GLU 21 -13.623 -3.757 4.582 152 HA GLU 21 HA GLU 21 -15.465 -2.615 6.643 153 1HB GLU 21 1HB GLU 21 -14.848 -5.223 6.564 154 2HB GLU 21 2HB GLU 21 -13.423 -4.645 7.429 155 1HG GLU 21 1HG GLU 21 -14.667 -3.877 9.245 156 2HG GLU 21 2HG GLU 21 -16.141 -3.711 8.292 157 H LYS 22 H LYS 22 -12.070 -3.190 5.714 158 HA LYS 22 HA LYS 22 -11.269 -0.558 6.532 159 1HB LYS 22 1HB LYS 22 -9.811 -1.308 8.477 160 2HB LYS 22 2HB LYS 22 -11.545 -1.289 8.798 161 1HG LYS 22 1HG LYS 22 -11.531 -3.495 9.238 162 2HG LYS 22 2HG LYS 22 -10.806 -3.834 7.666 163 1HD LYS 22 1HD LYS 22 -8.760 -4.141 8.569 164 2HD LYS 22 2HD LYS 22 -8.886 -2.669 9.534 165 1HE LYS 22 1HE LYS 22 -10.568 -4.106 10.967 166 2HE LYS 22 2HE LYS 22 -9.723 -5.467 10.231 167 1HZ LYS 22 1HZ LYS 22 -8.217 -3.253 11.465 168 2HZ LYS 22 2HZ LYS 22 -8.836 -4.509 12.421 169 3HZ LYS 22 3HZ LYS 22 -7.725 -4.854 11.184 170 H ILE 23 H ILE 23 -9.418 -0.108 5.443 171 HA ILE 23 HA ILE 23 -7.881 -2.391 4.303 172 HB ILE 23 HB ILE 23 -7.202 -0.944 2.584 173 1HG1 ILE 23 1HG1 ILE 23 -8.030 1.661 3.275 174 2HG1 ILE 23 2HG1 ILE 23 -7.211 1.038 4.705 175 1HG2 ILE 23 1HG2 ILE 23 -9.742 -1.329 2.767 176 2HG2 ILE 23 2HG2 ILE 23 -9.834 0.334 3.336 177 3HG2 ILE 23 3HG2 ILE 23 -9.209 -0.011 1.725 178 1HD1 ILE 23 1HD1 ILE 23 -5.809 0.355 2.232 179 2HD1 ILE 23 2HD1 ILE 23 -5.968 2.096 2.458 180 3HD1 ILE 23 3HD1 ILE 23 -5.188 1.114 3.698 181 H GLN 24 H GLN 24 -5.382 -1.115 3.967 182 HA GLN 24 HA GLN 24 -4.511 0.127 6.436 183 1HB GLN 24 1HB GLN 24 -4.875 -2.174 7.262 184 2HB GLN 24 2HB GLN 24 -3.785 -2.787 6.017 185 1HG GLN 24 1HG GLN 24 -2.177 -2.538 7.604 186 2HG GLN 24 2HG GLN 24 -2.250 -0.829 7.169 187 1HE2 GLN 24 2HE2 GLN 24 -1.613 -1.881 9.849 188 2HE2 GLN 24 1HE2 GLN 24 -2.819 -1.302 10.896 189 H VAL 25 H VAL 25 -3.584 1.510 4.768 190 HA VAL 25 HA VAL 25 -1.351 0.296 3.223 191 HB VAL 25 HB VAL 25 -2.795 1.668 1.874 192 1HG1 VAL 25 1HG1 VAL 25 -2.406 3.728 4.062 193 2HG1 VAL 25 2HG1 VAL 25 -3.138 4.092 2.499 194 3HG1 VAL 25 3HG1 VAL 25 -3.916 2.946 3.592 195 1HG2 VAL 25 1HG2 VAL 25 -0.091 2.084 2.092 196 2HG2 VAL 25 2HG2 VAL 25 -1.109 2.805 0.844 197 3HG2 VAL 25 3HG2 VAL 25 -0.715 3.720 2.299 198 H THR 26 H THR 26 0.775 0.926 3.568 199 HA THR 26 HA THR 26 1.290 2.994 5.650 200 HB THR 26 HB THR 26 2.314 0.144 5.625 201 HG1 THR 26 HG1 THR 26 0.915 1.802 7.437 202 1HG2 THR 26 1HG2 THR 26 3.628 2.607 6.525 203 2HG2 THR 26 2HG2 THR 26 3.475 1.396 7.798 204 3HG2 THR 26 3HG2 THR 26 4.302 0.993 6.293 205 H GLY 27 H GLY 27 2.892 4.362 4.992 206 1HA GLY 27 1HA GLY 27 4.859 3.363 2.986 207 2HA GLY 27 2HA GLY 27 3.987 4.864 2.673 208 H SER 28 H SER 28 4.330 6.660 4.204 209 HA SER 28 HA SER 28 6.743 6.398 5.919 210 1HB SER 28 1HB SER 28 7.065 8.883 4.693 211 2HB SER 28 2HB SER 28 8.013 7.435 4.369 212 HG SER 28 HG SER 28 7.189 7.859 2.432 213 H GLU 29 H GLU 29 4.000 8.397 4.861 214 HA GLU 29 HA GLU 29 3.967 9.574 7.612 215 1HB GLU 29 1HB GLU 29 2.960 10.932 5.098 216 2HB GLU 29 2HB GLU 29 3.151 11.648 6.701 217 1HG GLU 29 1HG GLU 29 5.671 10.789 6.334 218 2HG GLU 29 2HG GLU 29 5.217 11.025 4.645 219 H GLY 30 H GLY 30 1.728 10.224 8.305 220 1HA GLY 30 1HA GLY 30 -0.613 9.869 8.421 221 2HA GLY 30 2HA GLY 30 -0.525 9.007 6.885 222 H GLU 31 H GLU 31 0.260 6.770 6.935 223 HA GLU 31 HA GLU 31 0.491 4.632 7.891 224 1HB GLU 31 1HB GLU 31 1.827 5.949 9.653 225 2HB GLU 31 2HB GLU 31 0.347 5.932 10.614 226 1HG GLU 31 1HG GLU 31 0.355 3.585 10.812 227 2HG GLU 31 2HG GLU 31 1.458 3.383 9.451 228 H LEU 32 H LEU 32 -1.971 5.293 7.034 229 HA LEU 32 HA LEU 32 -3.714 3.984 9.045 230 1HB LEU 32 1HB LEU 32 -3.963 6.780 8.103 231 2HB LEU 32 2HB LEU 32 -5.455 5.836 8.043 232 HG LEU 32 HG LEU 32 -3.729 5.778 10.507 233 1HD1 LEU 32 1HD1 LEU 32 -5.396 8.015 9.485 234 2HD1 LEU 32 2HD1 LEU 32 -5.638 7.578 11.177 235 3HD1 LEU 32 3HD1 LEU 32 -4.036 8.046 10.608 236 1HD2 LEU 32 1HD2 LEU 32 -5.948 4.384 9.793 237 2HD2 LEU 32 2HD2 LEU 32 -5.555 4.782 11.465 238 3HD2 LEU 32 3HD2 LEU 32 -6.696 5.782 10.565 239 H GLY 33 H GLY 33 -5.636 3.046 8.043 240 1HA GLY 33 1HA GLY 33 -5.181 2.452 5.162 241 2HA GLY 33 2HA GLY 33 -6.175 1.487 6.258 242 H ILE 34 H ILE 34 -8.339 1.772 6.028 243 HA ILE 34 HA ILE 34 -9.403 4.461 5.505 244 HB ILE 34 HB ILE 34 -9.796 2.180 3.551 245 1HG1 ILE 34 1HG1 ILE 34 -7.737 3.600 3.313 246 2HG1 ILE 34 2HG1 ILE 34 -8.838 3.736 1.941 247 1HG2 ILE 34 1HG2 ILE 34 -11.887 3.522 4.184 248 2HG2 ILE 34 2HG2 ILE 34 -11.086 4.914 3.455 249 3HG2 ILE 34 3HG2 ILE 34 -11.466 3.499 2.472 250 1HD1 ILE 34 1HD1 ILE 34 -9.855 5.749 3.228 251 2HD1 ILE 34 2HD1 ILE 34 -8.367 5.709 4.172 252 3HD1 ILE 34 3HD1 ILE 34 -8.299 5.979 2.432 253 H TYR 35 H TYR 35 -11.547 4.654 6.155 254 HA TYR 35 HA TYR 35 -13.098 2.276 6.902 255 1HB TYR 35 1HB TYR 35 -12.700 4.246 9.105 256 2HB TYR 35 2HB TYR 35 -13.044 2.524 9.199 257 HD1 TYR 35 HD1 TYR 35 -10.357 4.989 8.386 258 HD2 TYR 35 HD2 TYR 35 -11.319 0.931 9.424 259 HE1 TYR 35 HE1 TYR 35 -7.949 4.500 8.713 260 HE2 TYR 35 HE2 TYR 35 -8.911 0.444 9.750 261 HH TYR 35 HH TYR 35 -6.676 2.520 10.292 262 HA PRO 36 HA PRO 36 -16.422 5.135 6.373 263 1HB PRO 36 1HB PRO 36 -18.004 4.999 8.620 264 2HB PRO 36 2HB PRO 36 -17.927 3.719 7.397 265 1HG PRO 36 1HG PRO 36 -16.765 3.764 10.135 266 2HG PRO 36 2HG PRO 36 -17.212 2.377 9.129 267 1HD PRO 36 1HD PRO 36 -14.595 3.380 9.555 268 2HD PRO 36 2HD PRO 36 -15.066 2.155 8.357 269 H GLY 37 H GLY 37 -14.673 6.884 6.631 270 1HA GLY 37 1HA GLY 37 -15.192 9.284 7.397 271 2HA GLY 37 2HA GLY 37 -15.197 8.594 9.022 272 H HIS 38 H HIS 38 -13.041 8.256 6.176 273 HA HIS 38 HA HIS 38 -10.709 8.264 7.968 274 1HB HIS 38 1HB HIS 38 -10.693 6.724 6.078 275 2HB HIS 38 2HB HIS 38 -10.943 8.055 4.948 276 HD1 HIS 38 HD1 HIS 38 -8.689 7.825 3.736 277 HD2 HIS 38 HD2 HIS 38 -8.283 8.315 7.857 278 HE1 HIS 38 HE1 HIS 38 -6.229 8.244 4.171 279 H ALA 39 H ALA 39 -11.921 10.679 8.273 280 HA ALA 39 HA ALA 39 -11.548 12.993 8.124 281 1HB ALA 39 1HB ALA 39 -9.030 11.684 8.151 282 2HB ALA 39 2HB ALA 39 -8.920 12.977 6.957 283 3HB ALA 39 3HB ALA 39 -9.382 13.348 8.618 284 HA PRO 40 HA PRO 40 -12.180 14.288 3.976 285 1HB PRO 40 1HB PRO 40 -11.248 16.873 4.077 286 2HB PRO 40 2HB PRO 40 -12.773 16.355 4.818 287 1HG PRO 40 1HG PRO 40 -10.176 17.010 6.128 288 2HG PRO 40 2HG PRO 40 -11.819 17.105 6.784 289 1HD PRO 40 1HD PRO 40 -9.941 15.049 7.305 290 2HD PRO 40 2HD PRO 40 -11.678 14.999 7.678 291 H LEU 41 H LEU 41 -10.400 12.765 3.214 292 HA LEU 41 HA LEU 41 -7.823 14.106 2.614 293 1HB LEU 41 1HB LEU 41 -8.760 11.321 2.859 294 2HB LEU 41 2HB LEU 41 -7.643 11.595 1.522 295 HG LEU 41 HG LEU 41 -6.473 11.012 3.653 296 1HD1 LEU 41 1HD1 LEU 41 -5.779 12.858 1.776 297 2HD1 LEU 41 2HD1 LEU 41 -5.717 13.846 3.235 298 3HD1 LEU 41 3HD1 LEU 41 -4.731 12.389 3.116 299 1HD2 LEU 41 1HD2 LEU 41 -7.914 13.512 4.538 300 2HD2 LEU 41 2HD2 LEU 41 -7.826 11.949 5.350 301 3HD2 LEU 41 3HD2 LEU 41 -6.415 13.007 5.317 302 H LEU 42 H LEU 42 -7.132 14.497 0.490 303 HA LEU 42 HA LEU 42 -8.612 13.569 -1.825 304 1HB LEU 42 1HB LEU 42 -9.283 15.920 -2.539 305 2HB LEU 42 2HB LEU 42 -10.233 15.231 -1.222 306 HG LEU 42 HG LEU 42 -8.010 16.483 -0.007 307 1HD1 LEU 42 1HD1 LEU 42 -8.883 17.827 -2.474 308 2HD1 LEU 42 2HD1 LEU 42 -8.927 18.864 -1.048 309 3HD1 LEU 42 3HD1 LEU 42 -7.422 18.072 -1.515 310 1HD2 LEU 42 1HD2 LEU 42 -10.682 16.264 0.413 311 2HD2 LEU 42 2HD2 LEU 42 -9.666 17.423 1.269 312 3HD2 LEU 42 3HD2 LEU 42 -10.598 17.937 -0.138 313 H THR 43 H THR 43 -5.865 13.625 -0.927 314 HA THR 43 HA THR 43 -4.684 15.387 -3.038 315 HB THR 43 HB THR 43 -2.685 15.580 -1.646 316 HG1 THR 43 HG1 THR 43 -3.300 14.661 0.645 317 1HG2 THR 43 1HG2 THR 43 -5.302 16.518 -0.893 318 2HG2 THR 43 2HG2 THR 43 -4.327 16.264 0.555 319 3HG2 THR 43 3HG2 THR 43 -3.746 17.331 -0.723 320 H ALA 44 H ALA 44 -2.096 13.791 -2.109 321 HA ALA 44 HA ALA 44 -2.570 11.586 -4.048 322 1HB ALA 44 1HB ALA 44 -0.343 13.325 -3.443 323 2HB ALA 44 2HB ALA 44 0.145 11.641 -3.254 324 3HB ALA 44 3HB ALA 44 -0.530 12.198 -4.785 325 H ILE 45 H ILE 45 -1.377 9.481 -3.463 326 HA ILE 45 HA ILE 45 -1.801 8.940 -0.554 327 HB ILE 45 HB ILE 45 -3.261 7.764 -2.336 328 1HG1 ILE 45 1HG1 ILE 45 -2.300 5.470 -0.993 329 2HG1 ILE 45 2HG1 ILE 45 -2.014 6.826 0.098 330 1HG2 ILE 45 1HG2 ILE 45 -1.039 7.273 -3.669 331 2HG2 ILE 45 2HG2 ILE 45 -0.936 5.882 -2.591 332 3HG2 ILE 45 3HG2 ILE 45 -2.335 6.076 -3.648 333 1HD1 ILE 45 1HD1 ILE 45 -4.639 6.884 -1.250 334 2HD1 ILE 45 2HD1 ILE 45 -4.414 5.525 -0.147 335 3HD1 ILE 45 3HD1 ILE 45 -4.235 7.177 0.442 336 H LYS 46 H LYS 46 -0.101 8.078 0.599 337 HA LYS 46 HA LYS 46 2.545 8.215 -0.498 338 1HB LYS 46 1HB LYS 46 3.261 7.218 1.633 339 2HB LYS 46 2HB LYS 46 2.060 8.477 1.920 340 1HG LYS 46 1HG LYS 46 0.865 5.835 1.480 341 2HG LYS 46 2HG LYS 46 1.922 5.888 2.890 342 1HD LYS 46 1HD LYS 46 0.651 8.141 3.393 343 2HD LYS 46 2HD LYS 46 -0.586 7.443 2.349 344 1HE LYS 46 1HE LYS 46 -0.232 5.305 3.845 345 2HE LYS 46 2HE LYS 46 0.420 6.465 5.002 346 1HZ LYS 46 1HZ LYS 46 -1.753 7.754 4.365 347 2HZ LYS 46 2HZ LYS 46 -2.307 6.200 3.969 348 3HZ LYS 46 3HZ LYS 46 -1.774 6.533 5.547 349 HA PRO 47 HA PRO 47 2.844 4.233 -2.354 350 1HB PRO 47 1HB PRO 47 5.589 4.086 -2.449 351 2HB PRO 47 2HB PRO 47 4.624 5.087 -3.550 352 1HG PRO 47 1HG PRO 47 6.295 5.927 -1.224 353 2HG PRO 47 2HG PRO 47 5.855 6.838 -2.679 354 1HD PRO 47 1HD PRO 47 4.673 7.131 -0.127 355 2HD PRO 47 2HD PRO 47 4.028 7.768 -1.655 356 H GLY 48 H GLY 48 2.834 2.159 -1.493 357 1HA GLY 48 1HA GLY 48 4.719 1.081 0.311 358 2HA GLY 48 2HA GLY 48 3.404 1.734 1.286 359 H MET 49 H MET 49 2.574 -0.259 1.978 360 HA MET 49 HA MET 49 1.652 -2.130 -0.163 361 1HB MET 49 1HB MET 49 1.601 -3.848 1.506 362 2HB MET 49 2HB MET 49 3.121 -2.983 1.735 363 1HG MET 49 1HG MET 49 1.599 -1.504 3.359 364 2HG MET 49 2HG MET 49 0.674 -3.004 3.448 365 1HE MET 49 1HE MET 49 0.969 -4.727 4.387 366 2HE MET 49 2HE MET 49 2.482 -5.626 4.325 367 3HE MET 49 3HE MET 49 1.948 -4.921 5.847 368 H ILE 50 H ILE 50 -0.395 -3.423 1.269 369 HA ILE 50 HA ILE 50 -2.236 -1.513 2.421 370 HB ILE 50 HB ILE 50 -2.162 -1.004 -0.131 371 1HG1 ILE 50 1HG1 ILE 50 -3.876 -0.254 1.602 372 2HG1 ILE 50 2HG1 ILE 50 -4.453 -0.321 -0.062 373 1HG2 ILE 50 1HG2 ILE 50 -2.372 -3.468 -0.720 374 2HG2 ILE 50 2HG2 ILE 50 -4.048 -3.374 -0.180 375 3HG2 ILE 50 3HG2 ILE 50 -3.505 -2.399 -1.545 376 1HD1 ILE 50 1HD1 ILE 50 -4.862 -2.903 1.048 377 2HD1 ILE 50 2HD1 ILE 50 -5.446 -1.739 2.233 378 3HD1 ILE 50 3HD1 ILE 50 -6.086 -1.721 0.591 379 H ARG 51 H ARG 51 -3.452 -2.704 3.765 380 HA ARG 51 HA ARG 51 -3.992 -5.561 3.071 381 1HB ARG 51 1HB ARG 51 -2.847 -4.462 5.380 382 2HB ARG 51 2HB ARG 51 -4.515 -4.806 5.841 383 1HG ARG 51 1HG ARG 51 -4.156 -7.110 4.745 384 2HG ARG 51 2HG ARG 51 -2.435 -6.722 4.786 385 1HD ARG 51 1HD ARG 51 -2.582 -7.706 6.854 386 2HD ARG 51 2HD ARG 51 -3.076 -6.080 7.321 387 HE ARG 51 HE ARG 51 -5.473 -7.174 6.682 388 1HH1 ARG 51 1HH1 ARG 51 -4.234 -9.898 7.023 389 2HH1 ARG 51 2HH1 ARG 51 -4.555 -10.225 8.694 390 1HH2 ARG 51 1HH2 ARG 51 -5.267 -6.926 9.480 391 2HH2 ARG 51 2HH2 ARG 51 -5.136 -8.543 10.085 392 H ILE 52 H ILE 52 -6.231 -6.312 3.725 393 HA ILE 52 HA ILE 52 -8.151 -4.151 4.261 394 HB ILE 52 HB ILE 52 -7.514 -4.866 1.623 395 1HG1 ILE 52 1HG1 ILE 52 -9.992 -3.412 2.538 396 2HG1 ILE 52 2HG1 ILE 52 -8.378 -2.697 2.570 397 1HG2 ILE 52 1HG2 ILE 52 -10.236 -5.910 2.447 398 2HG2 ILE 52 2HG2 ILE 52 -9.789 -5.564 0.776 399 3HG2 ILE 52 3HG2 ILE 52 -8.938 -6.818 1.677 400 1HD1 ILE 52 1HD1 ILE 52 -8.631 -3.877 0.028 401 2HD1 ILE 52 2HD1 ILE 52 -10.158 -3.039 0.318 402 3HD1 ILE 52 3HD1 ILE 52 -8.634 -2.152 0.404 403 H VAL 53 H VAL 53 -10.303 -4.907 4.662 404 HA VAL 53 HA VAL 53 -10.641 -7.822 5.034 405 HB VAL 53 HB VAL 53 -10.914 -5.708 7.192 406 1HG1 VAL 53 1HG1 VAL 53 -12.695 -7.795 6.748 407 2HG1 VAL 53 2HG1 VAL 53 -11.574 -8.458 7.934 408 3HG1 VAL 53 3HG1 VAL 53 -12.443 -6.965 8.281 409 1HG2 VAL 53 1HG2 VAL 53 -9.398 -8.334 7.033 410 2HG2 VAL 53 2HG2 VAL 53 -8.684 -6.725 6.934 411 3HG2 VAL 53 3HG2 VAL 53 -9.437 -7.265 8.434 412 H LYS 54 H LYS 54 -12.322 -7.971 3.566 413 HA LYS 54 HA LYS 54 -14.226 -5.985 2.983 414 1HB LYS 54 1HB LYS 54 -13.956 -8.864 2.511 415 2HB LYS 54 2HB LYS 54 -15.637 -8.345 2.645 416 1HG LYS 54 1HG LYS 54 -15.528 -7.031 0.761 417 2HG LYS 54 2HG LYS 54 -13.822 -6.649 0.997 418 1HD LYS 54 1HD LYS 54 -13.255 -8.261 -0.463 419 2HD LYS 54 2HD LYS 54 -14.034 -9.463 0.566 420 1HE LYS 54 1HE LYS 54 -15.844 -9.603 -0.787 421 2HE LYS 54 2HE LYS 54 -15.949 -7.851 -0.960 422 1HZ LYS 54 1HZ LYS 54 -13.956 -9.541 -2.366 423 2HZ LYS 54 2HZ LYS 54 -15.427 -9.045 -3.050 424 3HZ LYS 54 3HZ LYS 54 -14.259 -7.887 -2.618 425 H GLN 55 H GLN 55 -16.526 -5.882 3.597 426 HA GLN 55 HA GLN 55 -17.118 -5.467 6.221 427 1HB GLN 55 1HB GLN 55 -18.731 -5.184 4.324 428 2HB GLN 55 2HB GLN 55 -19.021 -6.923 4.363 429 1HG GLN 55 1HG GLN 55 -19.326 -5.243 6.848 430 2HG GLN 55 2HG GLN 55 -20.648 -5.405 5.692 431 1HE2 GLN 55 2HE2 GLN 55 -20.814 -7.969 4.974 432 2HE2 GLN 55 1HE2 GLN 55 -20.882 -9.026 6.302 433 H HIS 56 H HIS 56 -17.080 -8.668 4.676 434 HA HIS 56 HA HIS 56 -17.565 -9.897 7.349 435 1HB HIS 56 1HB HIS 56 -17.963 -11.988 6.084 436 2HB HIS 56 2HB HIS 56 -19.016 -10.691 5.520 437 HD1 HIS 56 HD1 HIS 56 -18.866 -12.514 3.355 438 HD2 HIS 56 HD2 HIS 56 -15.633 -9.974 4.042 439 HE1 HIS 56 HE1 HIS 56 -17.549 -12.431 1.193 440 H GLY 57 H GLY 57 -16.269 -12.385 6.743 441 1HA GLY 57 1HA GLY 57 -13.585 -11.762 7.531 442 2HA GLY 57 2HA GLY 57 -14.144 -13.351 7.004 443 H HIS 58 H HIS 58 -11.971 -13.398 5.923 444 HA HIS 58 HA HIS 58 -10.896 -13.517 3.823 445 1HB HIS 58 1HB HIS 58 -13.372 -13.251 2.970 446 2HB HIS 58 2HB HIS 58 -12.870 -11.594 2.629 447 HD1 HIS 58 HD1 HIS 58 -12.612 -15.038 1.355 448 HD2 HIS 58 HD2 HIS 58 -10.572 -11.445 0.796 449 HE1 HIS 58 HE1 HIS 58 -11.221 -15.323 -0.742 450 H GLU 59 H GLU 59 -9.044 -12.395 3.566 451 HA GLU 59 HA GLU 59 -9.144 -9.417 3.854 452 1HB GLU 59 1HB GLU 59 -6.777 -11.128 4.643 453 2HB GLU 59 2HB GLU 59 -7.088 -9.443 5.060 454 1HG GLU 59 1HG GLU 59 -8.342 -10.019 6.848 455 2HG GLU 59 2HG GLU 59 -9.256 -11.204 5.915 456 H GLU 60 H GLU 60 -7.970 -8.271 2.279 457 HA GLU 60 HA GLU 60 -6.744 -9.976 0.155 458 1HB GLU 60 1HB GLU 60 -8.144 -7.308 0.076 459 2HB GLU 60 2HB GLU 60 -7.074 -7.810 -1.232 460 1HG GLU 60 1HG GLU 60 -8.791 -8.978 -2.100 461 2HG GLU 60 2HG GLU 60 -8.694 -10.047 -0.700 462 H PHE 61 H PHE 61 -4.750 -9.275 -0.780 463 HA PHE 61 HA PHE 61 -3.227 -7.309 0.885 464 1HB PHE 61 1HB PHE 61 -2.613 -10.094 0.112 465 2HB PHE 61 2HB PHE 61 -1.293 -8.951 -0.148 466 HD1 PHE 61 HD1 PHE 61 -3.849 -9.892 2.431 467 HD2 PHE 61 HD2 PHE 61 0.097 -8.390 1.642 468 HE1 PHE 61 HE1 PHE 61 -3.358 -9.906 4.862 469 HE2 PHE 61 HE2 PHE 61 0.591 -8.407 4.071 470 HZ PHE 61 HZ PHE 61 -1.140 -9.162 5.682 471 H ILE 62 H ILE 62 -2.247 -5.699 -0.296 472 HA ILE 62 HA ILE 62 -1.644 -6.168 -3.150 473 HB ILE 62 HB ILE 62 -2.962 -3.594 -2.899 474 1HG1 ILE 62 1HG1 ILE 62 -4.776 -5.985 -2.488 475 2HG1 ILE 62 2HG1 ILE 62 -4.236 -4.976 -1.146 476 1HG2 ILE 62 1HG2 ILE 62 -2.535 -5.637 -4.783 477 2HG2 ILE 62 2HG2 ILE 62 -4.283 -5.559 -4.571 478 3HG2 ILE 62 3HG2 ILE 62 -3.387 -4.116 -5.047 479 1HD1 ILE 62 1HD1 ILE 62 -5.095 -2.985 -2.564 480 2HD1 ILE 62 2HD1 ILE 62 -5.961 -4.205 -3.497 481 3HD1 ILE 62 3HD1 ILE 62 -6.296 -4.009 -1.777 482 H TYR 63 H TYR 63 -0.817 -3.802 -4.001 483 HA TYR 63 HA TYR 63 0.584 -2.252 -1.973 484 1HB TYR 63 1HB TYR 63 2.259 -3.850 -1.856 485 2HB TYR 63 2HB TYR 63 1.970 -4.425 -3.496 486 HD1 TYR 63 HD1 TYR 63 2.766 -3.069 -5.447 487 HD2 TYR 63 HD2 TYR 63 3.862 -2.124 -1.404 488 HE1 TYR 63 HE1 TYR 63 4.636 -1.672 -6.284 489 HE2 TYR 63 HE2 TYR 63 5.732 -0.723 -2.239 490 HH TYR 63 HH TYR 63 6.998 -0.257 -4.080 491 H LEU 64 H LEU 64 0.850 -0.223 -2.791 492 HA LEU 64 HA LEU 64 0.894 0.088 -5.766 493 1HB LEU 64 1HB LEU 64 -0.423 2.229 -5.363 494 2HB LEU 64 2HB LEU 64 -1.317 0.738 -5.080 495 HG LEU 64 HG LEU 64 0.093 1.558 -2.683 496 1HD1 LEU 64 1HD1 LEU 64 -0.537 3.776 -4.065 497 2HD1 LEU 64 2HD1 LEU 64 -2.107 3.465 -3.325 498 3HD1 LEU 64 3HD1 LEU 64 -0.684 3.692 -2.309 499 1HD2 LEU 64 1HD2 LEU 64 -2.558 0.635 -3.583 500 2HD2 LEU 64 2HD2 LEU 64 -1.657 0.218 -2.125 501 3HD2 LEU 64 3HD2 LEU 64 -2.605 1.704 -2.181 502 H SER 65 H SER 65 1.268 2.843 -5.850 503 HA SER 65 HA SER 65 3.600 3.401 -4.100 504 1HB SER 65 1HB SER 65 3.654 3.028 -7.061 505 2HB SER 65 2HB SER 65 4.649 4.312 -6.384 506 HG SER 65 HG SER 65 5.911 2.543 -6.264 507 H GLY 66 H GLY 66 2.949 5.173 -7.049 508 1HA GLY 66 1HA GLY 66 2.036 7.459 -5.363 509 2HA GLY 66 2HA GLY 66 2.791 7.616 -6.950 510 H GLY 67 H GLY 67 0.229 8.744 -6.137 511 1HA GLY 67 1HA GLY 67 -1.335 8.344 -8.404 512 2HA GLY 67 2HA GLY 67 -1.908 7.134 -7.255 513 H ILE 68 H ILE 68 -3.899 8.646 -7.644 514 HA ILE 68 HA ILE 68 -3.821 10.809 -5.577 515 HB ILE 68 HB ILE 68 -5.492 10.698 -8.109 516 1HG1 ILE 68 1HG1 ILE 68 -3.517 12.860 -7.534 517 2HG1 ILE 68 2HG1 ILE 68 -2.871 11.291 -8.021 518 1HG2 ILE 68 1HG2 ILE 68 -6.118 11.937 -5.734 519 2HG2 ILE 68 2HG2 ILE 68 -5.256 13.212 -6.594 520 3HG2 ILE 68 3HG2 ILE 68 -6.679 12.466 -7.319 521 1HD1 ILE 68 1HD1 ILE 68 -4.728 11.456 -9.894 522 2HD1 ILE 68 2HD1 ILE 68 -4.612 13.184 -9.564 523 3HD1 ILE 68 3HD1 ILE 68 -3.187 12.290 -10.097 524 H LEU 69 H LEU 69 -5.304 10.581 -3.945 525 HA LEU 69 HA LEU 69 -7.359 8.438 -4.286 526 1HB LEU 69 1HB LEU 69 -7.258 8.113 -1.879 527 2HB LEU 69 2HB LEU 69 -5.619 8.042 -2.527 528 HG LEU 69 HG LEU 69 -6.502 10.753 -1.777 529 1HD1 LEU 69 1HD1 LEU 69 -7.590 9.401 0.004 530 2HD1 LEU 69 2HD1 LEU 69 -6.034 8.654 0.364 531 3HD1 LEU 69 3HD1 LEU 69 -6.266 10.381 0.634 532 1HD2 LEU 69 1HD2 LEU 69 -4.079 9.016 -1.214 533 2HD2 LEU 69 2HD2 LEU 69 -4.208 10.286 -2.430 534 3HD2 LEU 69 3HD2 LEU 69 -4.224 10.702 -0.717 535 H GLU 70 H GLU 70 -9.074 8.961 -2.295 536 HA GLU 70 HA GLU 70 -9.816 11.665 -1.833 537 1HB GLU 70 1HB GLU 70 -10.249 11.939 -4.167 538 2HB GLU 70 2HB GLU 70 -11.042 10.367 -4.278 539 1HG GLU 70 1HG GLU 70 -12.995 11.127 -3.291 540 2HG GLU 70 2HG GLU 70 -12.165 12.387 -2.376 541 H VAL 71 H VAL 71 -11.574 11.701 -0.389 542 HA VAL 71 HA VAL 71 -12.696 9.010 0.258 543 HB VAL 71 HB VAL 71 -11.376 10.308 2.011 544 1HG1 VAL 71 1HG1 VAL 71 -12.585 12.492 1.260 545 2HG1 VAL 71 2HG1 VAL 71 -13.890 11.939 2.310 546 3HG1 VAL 71 3HG1 VAL 71 -12.288 12.244 2.981 547 1HG2 VAL 71 1HG2 VAL 71 -13.948 8.952 2.212 548 2HG2 VAL 71 2HG2 VAL 71 -12.531 8.817 3.255 549 3HG2 VAL 71 3HG2 VAL 71 -13.714 10.095 3.534 550 H GLN 72 H GLN 72 -14.871 8.683 0.048 551 HA GLN 72 HA GLN 72 -16.572 11.092 -0.474 552 1HB GLN 72 1HB GLN 72 -17.520 8.487 -1.515 553 2HB GLN 72 2HB GLN 72 -17.545 10.077 -2.273 554 1HG GLN 72 1HG GLN 72 -14.876 9.631 -2.260 555 2HG GLN 72 2HG GLN 72 -15.455 7.968 -2.376 556 1HE2 GLN 72 2HE2 GLN 72 -14.594 7.957 -4.641 557 2HE2 GLN 72 1HE2 GLN 72 -15.495 8.690 -5.879 558 HA PRO 73 HA PRO 73 -19.295 9.697 2.662 559 1HB PRO 73 1HB PRO 73 -21.777 10.077 1.545 560 2HB PRO 73 2HB PRO 73 -20.733 11.401 2.091 561 1HG PRO 73 1HG PRO 73 -21.336 10.512 -0.690 562 2HG PRO 73 2HG PRO 73 -20.851 12.111 -0.104 563 1HD PRO 73 1HD PRO 73 -19.166 10.225 -1.381 564 2HD PRO 73 2HD PRO 73 -18.635 11.683 -0.514 565 H GLY 74 H GLY 74 -19.276 7.512 3.117 566 1HA GLY 74 1HA GLY 74 -20.183 5.333 3.172 567 2HA GLY 74 2HA GLY 74 -21.301 5.804 1.894 568 H ASN 75 H ASN 75 -18.074 6.580 1.134 569 HA ASN 75 HA ASN 75 -17.099 4.085 0.184 570 1HB ASN 75 1HB ASN 75 -17.591 4.280 -2.227 571 2HB ASN 75 2HB ASN 75 -19.079 4.144 -1.289 572 1HD2 ASN 75 2HD2 ASN 75 -18.080 5.709 -3.918 573 2HD2 ASN 75 1HD2 ASN 75 -18.836 7.216 -3.721 574 H VAL 76 H VAL 76 -15.057 4.345 -0.858 575 HA VAL 76 HA VAL 76 -14.179 7.172 -1.264 576 HB VAL 76 HB VAL 76 -12.091 6.750 -0.165 577 1HG1 VAL 76 1HG1 VAL 76 -14.571 6.550 1.152 578 2HG1 VAL 76 2HG1 VAL 76 -13.552 5.310 1.881 579 3HG1 VAL 76 3HG1 VAL 76 -13.022 6.993 1.870 580 1HG2 VAL 76 1HG2 VAL 76 -12.585 4.071 -0.921 581 2HG2 VAL 76 2HG2 VAL 76 -11.164 4.695 -0.088 582 3HG2 VAL 76 3HG2 VAL 76 -12.527 4.071 0.841 583 H THR 77 H THR 77 -11.845 6.997 -2.438 584 HA THR 77 HA THR 77 -11.629 4.715 -4.252 585 HB THR 77 HB THR 77 -12.450 7.426 -5.334 586 HG1 THR 77 HG1 THR 77 -14.309 6.379 -5.901 587 1HG2 THR 77 1HG2 THR 77 -11.434 4.901 -6.614 588 2HG2 THR 77 2HG2 THR 77 -12.524 5.972 -7.495 589 3HG2 THR 77 3HG2 THR 77 -10.963 6.571 -6.931 590 H VAL 78 H VAL 78 -9.733 4.940 -5.683 591 HA VAL 78 HA VAL 78 -7.944 7.162 -5.585 592 HB VAL 78 HB VAL 78 -7.520 6.694 -3.286 593 1HG1 VAL 78 1HG1 VAL 78 -8.613 4.334 -3.575 594 2HG1 VAL 78 2HG1 VAL 78 -6.961 3.793 -3.870 595 3HG1 VAL 78 3HG1 VAL 78 -7.378 4.553 -2.335 596 1HG2 VAL 78 1HG2 VAL 78 -5.491 6.902 -4.785 597 2HG2 VAL 78 2HG2 VAL 78 -5.197 6.027 -3.282 598 3HG2 VAL 78 3HG2 VAL 78 -5.395 5.141 -4.794 599 H LEU 79 H LEU 79 -6.373 6.849 -7.164 600 HA LEU 79 HA LEU 79 -6.112 4.063 -8.216 601 1HB LEU 79 1HB LEU 79 -5.944 6.550 -9.925 602 2HB LEU 79 2HB LEU 79 -6.129 4.878 -10.453 603 HG LEU 79 HG LEU 79 -8.336 4.930 -9.066 604 1HD1 LEU 79 1HD1 LEU 79 -7.380 7.540 -8.588 605 2HD1 LEU 79 2HD1 LEU 79 -8.736 7.726 -9.700 606 3HD1 LEU 79 3HD1 LEU 79 -8.966 6.894 -8.162 607 1HD2 LEU 79 1HD2 LEU 79 -7.919 5.012 -11.656 608 2HD2 LEU 79 2HD2 LEU 79 -9.516 5.426 -11.031 609 3HD2 LEU 79 3HD2 LEU 79 -8.393 6.704 -11.499 610 H ALA 80 H ALA 80 -4.045 3.538 -9.129 611 HA ALA 80 HA ALA 80 -1.858 5.492 -8.707 612 1HB ALA 80 1HB ALA 80 -2.105 2.813 -7.337 613 2HB ALA 80 2HB ALA 80 -0.534 3.568 -7.606 614 3HB ALA 80 3HB ALA 80 -1.746 4.381 -6.616 615 H ASP 81 H ASP 81 0.217 4.613 -9.701 616 HA ASP 81 HA ASP 81 -0.498 3.108 -12.164 617 1HB ASP 81 1HB ASP 81 0.574 5.205 -12.630 618 2HB ASP 81 2HB ASP 81 1.850 4.883 -11.455 619 H THR 82 H THR 82 0.585 2.347 -9.179 620 HA THR 82 HA THR 82 2.412 0.225 -10.233 621 HB THR 82 HB THR 82 2.440 1.724 -7.606 622 HG1 THR 82 HG1 THR 82 4.524 1.191 -9.435 623 1HG2 THR 82 1HG2 THR 82 3.607 -0.938 -8.352 624 2HG2 THR 82 2HG2 THR 82 4.475 0.111 -7.232 625 3HG2 THR 82 3HG2 THR 82 2.847 -0.441 -6.841 626 H ALA 83 H ALA 83 2.195 -1.875 -9.232 627 HA ALA 83 HA ALA 83 0.155 -2.414 -7.251 628 1HB ALA 83 1HB ALA 83 -0.588 -2.429 -10.090 629 2HB ALA 83 2HB ALA 83 -0.937 -3.954 -9.274 630 3HB ALA 83 3HB ALA 83 -1.619 -2.449 -8.659 631 H ILE 84 H ILE 84 1.237 -3.997 -6.180 632 HA ILE 84 HA ILE 84 2.754 -6.001 -7.781 633 HB ILE 84 HB ILE 84 3.044 -4.873 -5.019 634 1HG1 ILE 84 1HG1 ILE 84 5.288 -4.552 -5.674 635 2HG1 ILE 84 2HG1 ILE 84 5.201 -5.803 -6.911 636 1HG2 ILE 84 1HG2 ILE 84 3.743 -7.684 -5.858 637 2HG2 ILE 84 2HG2 ILE 84 4.708 -6.841 -4.646 638 3HG2 ILE 84 3HG2 ILE 84 2.992 -7.135 -4.360 639 1HD1 ILE 84 1HD1 ILE 84 3.424 -3.394 -7.147 640 2HD1 ILE 84 2HD1 ILE 84 5.120 -3.260 -7.605 641 3HD1 ILE 84 3HD1 ILE 84 4.077 -4.426 -8.418 642 H ARG 85 H ARG 85 0.286 -5.668 -5.269 643 HA ARG 85 HA ARG 85 -1.456 -7.164 -4.732 644 1HB ARG 85 1HB ARG 85 -0.992 -7.815 -7.280 645 2HB ARG 85 2HB ARG 85 -0.367 -9.284 -6.531 646 1HG ARG 85 1HG ARG 85 -2.689 -8.950 -5.138 647 2HG ARG 85 2HG ARG 85 -3.148 -8.299 -6.712 648 1HD ARG 85 1HD ARG 85 -3.315 -10.379 -7.542 649 2HD ARG 85 2HD ARG 85 -1.627 -10.688 -7.134 650 HE ARG 85 HE ARG 85 -2.410 -11.484 -4.914 651 1HH1 ARG 85 1HH1 ARG 85 -5.123 -10.152 -6.266 652 2HH1 ARG 85 2HH1 ARG 85 -6.143 -11.539 -6.072 653 1HH2 ARG 85 1HH2 ARG 85 -3.549 -13.644 -5.142 654 2HH2 ARG 85 2HH2 ARG 85 -5.252 -13.515 -5.431 655 H GLY 86 H GLY 86 0.715 -7.034 -3.071 656 1HA GLY 86 1HA GLY 86 2.026 -8.261 -1.541 657 2HA GLY 86 2HA GLY 86 0.594 -9.287 -1.475 658 H GLN 87 H GLN 87 0.826 -11.363 -2.168 659 HA GLN 87 HA GLN 87 3.387 -12.084 -3.493 660 1HB GLN 87 1HB GLN 87 2.654 -14.439 -2.903 661 2HB GLN 87 2HB GLN 87 2.931 -13.381 -1.520 662 1HG GLN 87 1HG GLN 87 0.788 -13.573 -0.858 663 2HG GLN 87 2HG GLN 87 0.203 -13.125 -2.461 664 1HE2 GLN 87 2HE2 GLN 87 0.729 -15.796 -0.291 665 2HE2 GLN 87 1HE2 GLN 87 0.207 -17.021 -1.344 666 H ASP 88 H ASP 88 2.002 -10.901 -5.386 667 HA ASP 88 HA ASP 88 -0.077 -12.158 -6.747 668 1HB ASP 88 1HB ASP 88 1.208 -10.020 -7.384 669 2HB ASP 88 2HB ASP 88 2.344 -11.091 -8.205 670 H LEU 89 H LEU 89 3.360 -13.036 -6.734 671 HA LEU 89 HA LEU 89 2.710 -15.780 -7.464 672 1HB LEU 89 1HB LEU 89 2.639 -14.901 -9.705 673 2HB LEU 89 2HB LEU 89 4.115 -13.970 -9.446 674 HG LEU 89 HG LEU 89 5.322 -16.153 -9.055 675 1HD1 LEU 89 1HD1 LEU 89 3.219 -17.432 -8.525 676 2HD1 LEU 89 2HD1 LEU 89 2.797 -17.348 -10.235 677 3HD1 LEU 89 3HD1 LEU 89 4.245 -18.217 -9.725 678 1HD2 LEU 89 1HD2 LEU 89 4.763 -14.836 -11.385 679 2HD2 LEU 89 2HD2 LEU 89 5.845 -16.225 -11.277 680 3HD2 LEU 89 3HD2 LEU 89 4.165 -16.451 -11.764 681 H ASP 90 H ASP 90 4.197 -17.023 -6.415 682 HA ASP 90 HA ASP 90 6.139 -17.589 -5.223 683 1HB ASP 90 1HB ASP 90 6.943 -16.884 -7.705 684 2HB ASP 90 2HB ASP 90 7.791 -15.656 -6.765 685 H GLU 91 H GLU 91 8.022 -16.505 -3.928 686 HA GLU 91 HA GLU 91 7.133 -13.813 -2.978 687 1HB GLU 91 1HB GLU 91 7.947 -16.225 -1.337 688 2HB GLU 91 2HB GLU 91 7.855 -14.593 -0.672 689 1HG GLU 91 1HG GLU 91 5.596 -14.643 -0.583 690 2HG GLU 91 2HG GLU 91 5.468 -15.328 -2.203 691 H ALA 92 H ALA 92 9.630 -15.638 -4.276 692 HA ALA 92 HA ALA 92 11.790 -14.174 -2.891 693 1HB ALA 92 1HB ALA 92 11.600 -16.665 -4.196 694 2HB ALA 92 2HB ALA 92 12.658 -15.678 -5.204 695 3HB ALA 92 3HB ALA 92 13.049 -15.936 -3.504 696 H ARG 93 H ARG 93 9.773 -13.706 -5.589 697 HA ARG 93 HA ARG 93 11.743 -12.262 -7.204 698 1HB ARG 93 1HB ARG 93 9.807 -13.448 -8.231 699 2HB ARG 93 2HB ARG 93 8.720 -12.304 -7.443 700 1HG ARG 93 1HG ARG 93 9.830 -10.438 -8.622 701 2HG ARG 93 2HG ARG 93 10.904 -11.586 -9.422 702 1HD ARG 93 1HD ARG 93 8.588 -12.723 -10.098 703 2HD ARG 93 2HD ARG 93 7.994 -11.079 -9.874 704 HE ARG 93 HE ARG 93 10.223 -11.750 -11.757 705 1HH1 ARG 93 1HH2 ARG 93 7.061 -11.255 -12.133 706 2HH1 ARG 93 2HH2 ARG 93 7.150 -9.741 -12.970 707 1HH2 ARG 93 1HH1 ARG 93 10.508 -9.245 -12.262 708 2HH2 ARG 93 2HH1 ARG 93 9.101 -8.602 -13.042 709 H ALA 94 H ALA 94 9.694 -11.521 -4.543 710 HA ALA 94 HA ALA 94 9.642 -8.631 -5.163 711 1HB ALA 94 1HB ALA 94 8.465 -10.355 -2.989 712 2HB ALA 94 2HB ALA 94 8.537 -8.602 -2.806 713 3HB ALA 94 3HB ALA 94 7.633 -9.312 -4.144 714 H MET 95 H MET 95 11.768 -10.816 -3.749 715 HA MET 95 HA MET 95 12.806 -8.984 -1.698 716 1HB MET 95 1HB MET 95 13.080 -11.787 -2.370 717 2HB MET 95 2HB MET 95 14.667 -11.047 -2.163 718 1HG MET 95 1HG MET 95 13.765 -10.028 -0.005 719 2HG MET 95 2HG MET 95 12.377 -11.101 -0.188 720 1HE MET 95 1HE MET 95 12.167 -13.211 0.574 721 2HE MET 95 2HE MET 95 13.333 -14.063 1.584 722 3HE MET 95 3HE MET 95 12.758 -12.469 2.066 723 H GLU 96 H GLU 96 13.173 -9.388 -5.046 724 HA GLU 96 HA GLU 96 15.976 -8.669 -5.262 725 1HB GLU 96 1HB GLU 96 14.165 -9.685 -7.014 726 2HB GLU 96 2HB GLU 96 14.152 -7.989 -7.497 727 1HG GLU 96 1HG GLU 96 16.212 -8.130 -8.412 728 2HG GLU 96 2HG GLU 96 16.857 -8.987 -7.011 729 H ALA 97 H ALA 97 12.980 -6.905 -4.915 730 HA ALA 97 HA ALA 97 14.093 -4.350 -5.779 731 1HB ALA 97 1HB ALA 97 11.590 -5.124 -5.694 732 2HB ALA 97 2HB ALA 97 11.675 -4.614 -4.008 733 3HB ALA 97 3HB ALA 97 11.984 -3.450 -5.298 734 H LYS 98 H LYS 98 14.671 -6.227 -3.105 735 HA LYS 98 HA LYS 98 14.758 -4.056 -1.123 736 1HB LYS 98 1HB LYS 98 14.223 -6.372 -0.429 737 2HB LYS 98 2HB LYS 98 15.811 -6.900 -0.986 738 1HG LYS 98 1HG LYS 98 16.811 -6.168 0.898 739 2HG LYS 98 2HG LYS 98 16.007 -4.602 0.795 740 1HD LYS 98 1HD LYS 98 14.413 -5.203 2.286 741 2HD LYS 98 2HD LYS 98 14.185 -6.779 1.527 742 1HE LYS 98 1HE LYS 98 16.764 -6.759 2.760 743 2HE LYS 98 2HE LYS 98 15.590 -6.174 3.940 744 1HZ LYS 98 1HZ LYS 98 15.027 -8.568 2.310 745 2HZ LYS 98 2HZ LYS 98 15.961 -8.686 3.724 746 3HZ LYS 98 3HZ LYS 98 14.366 -8.116 3.810 747 H ARG 99 H ARG 99 17.178 -6.193 -2.680 748 HA ARG 99 HA ARG 99 19.403 -4.580 -1.733 749 1HB ARG 99 1HB ARG 99 19.688 -6.973 -2.216 750 2HB ARG 99 2HB ARG 99 19.268 -6.695 -3.906 751 1HG ARG 99 1HG ARG 99 21.348 -5.967 -4.401 752 2HG ARG 99 2HG ARG 99 21.392 -4.912 -2.987 753 1HD ARG 99 1HD ARG 99 21.755 -7.908 -2.794 754 2HD ARG 99 2HD ARG 99 23.109 -6.799 -3.007 755 HE ARG 99 HE ARG 99 21.323 -6.197 -0.742 756 1HH1 ARG 99 1HH2 ARG 99 22.897 -8.908 -0.668 757 2HH1 ARG 99 2HH2 ARG 99 24.247 -8.431 0.306 758 1HH2 ARG 99 1HH1 ARG 99 23.629 -5.035 -0.034 759 2HH2 ARG 99 2HH1 ARG 99 24.661 -6.237 0.667 760 H LYS 100 H LYS 100 17.402 -4.650 -4.620 761 HA LYS 100 HA LYS 100 19.122 -3.086 -6.302 762 1HB LYS 100 1HB LYS 100 16.195 -3.739 -6.271 763 2HB LYS 100 2HB LYS 100 16.770 -2.457 -7.337 764 1HG LYS 100 1HG LYS 100 18.454 -4.858 -7.415 765 2HG LYS 100 2HG LYS 100 16.796 -5.156 -7.937 766 1HD LYS 100 1HD LYS 100 17.627 -2.674 -9.073 767 2HD LYS 100 2HD LYS 100 18.894 -3.860 -9.384 768 1HE LYS 100 1HE LYS 100 17.282 -3.976 -11.195 769 2HE LYS 100 2HE LYS 100 17.133 -5.438 -10.222 770 1HZ LYS 100 1HZ LYS 100 15.457 -3.044 -9.753 771 2HZ LYS 100 2HZ LYS 100 14.998 -4.277 -10.828 772 3HZ LYS 100 3HZ LYS 100 15.211 -4.625 -9.182 773 H ALA 101 H ALA 101 17.102 -2.274 -3.608 774 HA ALA 101 HA ALA 101 16.923 0.570 -4.311 775 1HB ALA 101 1HB ALA 101 15.881 -1.197 -2.189 776 2HB ALA 101 2HB ALA 101 16.296 0.427 -1.644 777 3HB ALA 101 3HB ALA 101 15.134 0.206 -2.950 778 H GLU 102 H GLU 102 19.111 -1.527 -2.634 779 HA GLU 102 HA GLU 102 20.359 0.453 -0.953 780 1HB GLU 102 1HB GLU 102 20.735 -1.856 -0.428 781 2HB GLU 102 2HB GLU 102 21.321 -2.196 -2.057 782 1HG GLU 102 1HG GLU 102 23.388 -1.294 -1.649 783 2HG GLU 102 2HG GLU 102 22.749 -0.063 -0.560 784 H GLU 103 H GLU 103 20.737 -0.465 -4.322 785 HA GLU 103 HA GLU 103 23.243 1.013 -4.643 786 1HB GLU 103 1HB GLU 103 21.968 -0.957 -6.103 787 2HB GLU 103 2HB GLU 103 21.689 0.486 -7.078 788 1HG GLU 103 1HG GLU 103 24.434 0.117 -5.985 789 2HG GLU 103 2HG GLU 103 23.942 -0.967 -7.287 790 H HIS 104 H HIS 104 19.891 1.765 -4.626 791 HA HIS 104 HA HIS 104 20.225 4.209 -6.246 792 1HB HIS 104 1HB HIS 104 17.914 2.822 -4.918 793 2HB HIS 104 2HB HIS 104 17.761 4.518 -5.375 794 HD1 HIS 104 HD1 HIS 104 16.527 4.577 -7.541 795 HD2 HIS 104 HD2 HIS 104 19.360 1.520 -7.473 796 HE1 HIS 104 HE1 HIS 104 16.498 3.522 -9.843 797 H ILE 105 H ILE 105 20.359 3.236 -2.930 798 HA ILE 105 HA ILE 105 19.839 5.923 -1.872 799 HB ILE 105 HB ILE 105 20.846 3.370 -0.585 800 1HG1 ILE 105 1HG1 ILE 105 18.207 4.859 -0.398 801 2HG1 ILE 105 2HG1 ILE 105 18.477 3.381 -1.321 802 1HG2 ILE 105 1HG2 ILE 105 20.659 6.163 0.399 803 2HG2 ILE 105 2HG2 ILE 105 20.013 4.924 1.476 804 3HG2 ILE 105 3HG2 ILE 105 21.694 4.844 0.947 805 1HD1 ILE 105 1HD1 ILE 105 19.421 3.107 1.416 806 2HD1 ILE 105 2HD1 ILE 105 17.713 3.541 1.366 807 3HD1 ILE 105 3HD1 ILE 105 18.282 2.100 0.524 808 H SER 106 H SER 106 22.336 4.762 -3.604 809 HA SER 106 HA SER 106 24.712 5.211 -2.217 810 1HB SER 106 1HB SER 106 23.927 5.829 -5.064 811 2HB SER 106 2HB SER 106 25.553 6.163 -4.473 812 HG SER 106 HG SER 106 24.401 3.660 -3.962 813 H SER 107 H SER 107 22.781 7.702 -3.924 814 HA SER 107 HA SER 107 24.301 9.960 -3.300 815 1HB SER 107 1HB SER 107 21.790 9.522 -4.374 816 2HB SER 107 2HB SER 107 21.424 10.398 -2.891 817 HG SER 107 HG SER 107 22.917 11.987 -3.558 818 H SER 108 H SER 108 25.082 10.562 -1.340 819 HA SER 108 HA SER 108 23.239 10.728 0.953 820 1HB SER 108 1HB SER 108 24.934 9.493 2.407 821 2HB SER 108 2HB SER 108 24.006 8.487 1.298 822 HG SER 108 HG SER 108 26.552 8.525 1.464 823 H HIS 109 H HIS 109 23.996 12.217 2.538 824 HA HIS 109 HA HIS 109 26.681 13.351 2.350 825 1HB HIS 109 1HB HIS 109 24.610 14.476 0.747 826 2HB HIS 109 2HB HIS 109 24.939 15.609 2.059 827 HD1 HIS 109 HD1 HIS 109 28.037 14.661 2.253 828 HD2 HIS 109 HD2 HIS 109 26.058 16.068 -1.136 829 HE1 HIS 109 HE1 HIS 109 29.826 15.545 0.694 830 H GLY 110 H GLY 110 23.436 14.473 3.387 831 1HA GLY 110 1HA GLY 110 23.766 13.969 6.147 832 2HA GLY 110 2HA GLY 110 24.388 15.593 5.847 833 H ASP 111 H ASP 111 22.225 15.454 7.474 834 HA ASP 111 HA ASP 111 20.045 16.281 7.740 835 1HB ASP 111 1HB ASP 111 21.058 17.564 5.247 836 2HB ASP 111 2HB ASP 111 19.322 17.656 5.547 837 H VAL 112 H VAL 112 19.605 16.105 4.262 838 HA VAL 112 HA VAL 112 17.459 14.124 4.677 839 HB VAL 112 HB VAL 112 16.852 14.591 2.371 840 1HG1 VAL 112 1HG1 VAL 112 16.370 16.288 4.220 841 2HG1 VAL 112 2HG1 VAL 112 17.731 17.217 3.591 842 3HG1 VAL 112 3HG1 VAL 112 16.323 16.915 2.573 843 1HG2 VAL 112 1HG2 VAL 112 19.655 15.254 2.194 844 2HG2 VAL 112 2HG2 VAL 112 18.492 15.025 0.888 845 3HG2 VAL 112 3HG2 VAL 112 18.690 16.616 1.623 846 H ASP 113 H ASP 113 20.473 13.532 4.787 847 HA ASP 113 HA ASP 113 21.175 11.913 2.542 848 1HB ASP 113 1HB ASP 113 22.833 12.639 4.179 849 2HB ASP 113 2HB ASP 113 22.012 11.730 5.449 850 H TYR 114 H TYR 114 21.141 10.076 5.486 851 HA TYR 114 HA TYR 114 19.729 7.891 4.283 852 1HB TYR 114 1HB TYR 114 21.206 8.285 6.616 853 2HB TYR 114 2HB TYR 114 19.575 7.965 7.204 854 HD1 TYR 114 HD1 TYR 114 21.923 6.697 4.559 855 HD2 TYR 114 HD2 TYR 114 18.978 5.741 7.535 856 HE1 TYR 114 HE1 TYR 114 22.220 4.282 4.077 857 HE2 TYR 114 HE2 TYR 114 19.274 3.327 7.053 858 HH TYR 114 HH TYR 114 20.985 1.841 6.105 859 H ALA 115 H ALA 115 18.697 10.825 5.671 860 HA ALA 115 HA ALA 115 16.112 9.990 6.653 861 1HB ALA 115 1HB ALA 115 17.622 12.466 6.317 862 2HB ALA 115 2HB ALA 115 15.913 12.678 5.929 863 3HB ALA 115 3HB ALA 115 16.388 12.062 7.514 864 H GLN 116 H GLN 116 17.324 11.226 3.560 865 HA GLN 116 HA GLN 116 14.633 11.268 2.387 866 1HB GLN 116 1HB GLN 116 16.624 12.827 1.798 867 2HB GLN 116 2HB GLN 116 17.214 11.467 0.841 868 1HG GLN 116 1HG GLN 116 14.711 11.466 -0.061 869 2HG GLN 116 2HG GLN 116 14.783 13.159 0.432 870 1HE2 GLN 116 2HE2 GLN 116 15.010 14.184 -1.608 871 2HE2 GLN 116 1HE2 GLN 116 16.292 13.873 -2.676 872 H ALA 117 H ALA 117 16.992 8.912 2.964 873 HA ALA 117 HA ALA 117 16.343 7.303 0.576 874 1HB ALA 117 1HB ALA 117 18.371 7.250 2.712 875 2HB ALA 117 2HB ALA 117 17.780 5.656 2.242 876 3HB ALA 117 3HB ALA 117 18.493 6.725 1.033 877 H SER 118 H SER 118 15.298 7.654 3.856 878 HA SER 118 HA SER 118 14.276 5.016 4.296 879 1HB SER 118 1HB SER 118 13.918 5.975 6.303 880 2HB SER 118 2HB SER 118 14.212 7.570 5.620 881 HG SER 118 HG SER 118 11.856 6.297 6.221 882 H ALA 119 H ALA 119 13.302 7.464 2.137 883 HA ALA 119 HA ALA 119 10.486 6.571 2.041 884 1HB ALA 119 1HB ALA 119 12.077 8.744 0.696 885 2HB ALA 119 2HB ALA 119 10.503 8.267 0.055 886 3HB ALA 119 3HB ALA 119 10.636 8.888 1.701 887 H GLU 120 H GLU 120 13.091 6.931 -0.401 888 HA GLU 120 HA GLU 120 11.851 5.311 -2.373 889 1HB GLU 120 1HB GLU 120 14.837 5.580 -1.943 890 2HB GLU 120 2HB GLU 120 14.000 5.247 -3.460 891 1HG GLU 120 1HG GLU 120 12.926 7.648 -2.287 892 2HG GLU 120 2HG GLU 120 14.681 7.782 -2.393 893 H LEU 121 H LEU 121 14.279 4.409 0.094 894 HA LEU 121 HA LEU 121 14.347 1.633 -0.668 895 1HB LEU 121 1HB LEU 121 16.159 2.630 0.641 896 2HB LEU 121 2HB LEU 121 15.044 2.969 1.964 897 HG LEU 121 HG LEU 121 14.676 0.250 1.437 898 1HD1 LEU 121 1HD1 LEU 121 16.943 0.679 0.138 899 2HD1 LEU 121 2HD1 LEU 121 17.632 0.630 1.760 900 3HD1 LEU 121 3HD1 LEU 121 16.746 -0.762 1.136 901 1HD2 LEU 121 1HD2 LEU 121 14.740 1.473 3.636 902 2HD2 LEU 121 2HD2 LEU 121 15.647 -0.040 3.646 903 3HD2 LEU 121 3HD2 LEU 121 16.499 1.498 3.517 904 H ALA 122 H ALA 122 12.873 3.159 2.225 905 HA ALA 122 HA ALA 122 11.445 0.879 3.086 906 1HB ALA 122 1HB ALA 122 11.771 3.217 4.214 907 2HB ALA 122 2HB ALA 122 10.280 3.638 3.371 908 3HB ALA 122 3HB ALA 122 10.291 2.313 4.534 909 H LYS 123 H LYS 123 10.909 2.861 0.331 910 HA LYS 123 HA LYS 123 8.050 2.351 0.107 911 1HB LYS 123 1HB LYS 123 8.883 4.305 -1.003 912 2HB LYS 123 2HB LYS 123 10.127 3.377 -1.841 913 1HG LYS 123 1HG LYS 123 8.589 2.383 -3.302 914 2HG LYS 123 2HG LYS 123 7.226 2.686 -2.225 915 1HD LYS 123 1HD LYS 123 6.926 4.309 -3.891 916 2HD LYS 123 2HD LYS 123 7.778 5.205 -2.632 917 1HE LYS 123 1HE LYS 123 9.595 5.509 -3.942 918 2HE LYS 123 2HE LYS 123 9.603 3.821 -4.453 919 1HZ LYS 123 1HZ LYS 123 7.504 4.615 -5.783 920 2HZ LYS 123 2HZ LYS 123 8.264 6.125 -5.662 921 3HZ LYS 123 3HZ LYS 123 9.071 4.828 -6.404 922 H ALA 124 H ALA 124 11.004 0.853 -1.155 923 HA ALA 124 HA ALA 124 9.481 -1.029 -2.812 924 1HB ALA 124 1HB ALA 124 12.263 -0.241 -2.497 925 2HB ALA 124 2HB ALA 124 12.096 -1.996 -2.535 926 3HB ALA 124 3HB ALA 124 11.475 -1.022 -3.868 927 H ILE 125 H ILE 125 10.432 -0.842 0.465 928 HA ILE 125 HA ILE 125 10.518 -3.767 0.841 929 HB ILE 125 HB ILE 125 10.489 -1.603 2.961 930 1HG1 ILE 125 1HG1 ILE 125 12.328 -1.228 1.346 931 2HG1 ILE 125 2HG1 ILE 125 12.951 -1.767 2.906 932 1HG2 ILE 125 1HG2 ILE 125 10.442 -4.446 3.040 933 2HG2 ILE 125 2HG2 ILE 125 12.053 -3.941 3.550 934 3HG2 ILE 125 3HG2 ILE 125 10.631 -3.333 4.396 935 1HD1 ILE 125 1HD1 ILE 125 12.518 -4.156 1.615 936 2HD1 ILE 125 2HD1 ILE 125 13.033 -3.114 0.289 937 3HD1 ILE 125 3HD1 ILE 125 14.072 -3.327 1.698 938 H ALA 126 H ALA 126 8.138 -1.394 0.599 939 HA ALA 126 HA ALA 126 6.276 -2.322 2.591 940 1HB ALA 126 1HB ALA 126 6.333 -0.148 1.006 941 2HB ALA 126 2HB ALA 126 5.248 -1.156 0.049 942 3HB ALA 126 3HB ALA 126 4.837 -0.755 1.716 943 H GLN 127 H GLN 127 7.037 -3.325 -0.690 944 HA GLN 127 HA GLN 127 4.688 -5.080 -0.864 945 1HB GLN 127 1HB GLN 127 5.761 -5.816 -3.005 946 2HB GLN 127 2HB GLN 127 5.520 -4.071 -2.916 947 1HG GLN 127 1HG GLN 127 7.732 -3.692 -3.086 948 2HG GLN 127 2HG GLN 127 8.073 -4.803 -1.758 949 1HE2 GLN 127 2HE2 GLN 127 9.998 -5.432 -3.185 950 2HE2 GLN 127 1HE2 GLN 127 9.741 -6.586 -4.402 951 H LEU 128 H LEU 128 7.897 -5.267 0.363 952 HA LEU 128 HA LEU 128 8.071 -8.191 0.109 953 1HB LEU 128 1HB LEU 128 10.147 -6.952 -0.007 954 2HB LEU 128 2HB LEU 128 9.807 -6.151 1.527 955 HG LEU 128 HG LEU 128 9.589 -8.903 2.064 956 1HD1 LEU 128 1HD1 LEU 128 10.848 -9.063 -0.191 957 2HD1 LEU 128 2HD1 LEU 128 12.222 -8.387 0.685 958 3HD1 LEU 128 3HD1 LEU 128 11.529 -9.929 1.187 959 1HD2 LEU 128 1HD2 LEU 128 11.513 -6.686 2.672 960 2HD2 LEU 128 2HD2 LEU 128 10.469 -7.591 3.768 961 3HD2 LEU 128 3HD2 LEU 128 11.946 -8.328 3.148 962 H ARG 129 H ARG 129 7.146 -5.810 2.525 963 HA ARG 129 HA ARG 129 7.060 -7.789 4.686 964 1HB ARG 129 1HB ARG 129 7.516 -5.314 5.019 965 2HB ARG 129 2HB ARG 129 5.815 -5.029 4.650 966 1HG ARG 129 1HG ARG 129 5.469 -5.343 6.869 967 2HG ARG 129 2HG ARG 129 5.679 -7.058 6.512 968 1HD ARG 129 1HD ARG 129 7.150 -6.310 8.371 969 2HD ARG 129 2HD ARG 129 8.075 -6.892 6.987 970 HE ARG 129 HE ARG 129 7.795 -4.128 6.602 971 1HH1 ARG 129 1HH2 ARG 129 10.471 -5.325 6.777 972 2HH1 ARG 129 2HH2 ARG 129 11.104 -4.671 8.250 973 1HH2 ARG 129 1HH1 ARG 129 8.001 -3.688 9.453 974 2HH2 ARG 129 2HH1 ARG 129 9.704 -3.739 9.765 975 H VAL 130 H VAL 130 4.802 -6.283 2.439 976 HA VAL 130 HA VAL 130 2.441 -7.386 3.736 977 HB VAL 130 HB VAL 130 2.783 -5.338 2.029 978 1HG1 VAL 130 1HG1 VAL 130 3.394 -7.033 0.199 979 2HG1 VAL 130 2HG1 VAL 130 1.688 -7.480 0.201 980 3HG1 VAL 130 3HG1 VAL 130 2.168 -5.834 -0.212 981 1HG2 VAL 130 1HG2 VAL 130 0.631 -6.699 3.184 982 2HG2 VAL 130 2HG2 VAL 130 0.580 -5.109 2.428 983 3HG2 VAL 130 3HG2 VAL 130 0.198 -6.545 1.482 984 H ILE 131 H ILE 131 4.742 -8.476 1.378 985 HA ILE 131 HA ILE 131 3.025 -10.714 0.503 986 HB ILE 131 HB ILE 131 4.485 -9.551 -1.133 987 1HG1 ILE 131 1HG1 ILE 131 5.084 -12.449 -0.489 988 2HG1 ILE 131 2HG1 ILE 131 3.941 -11.821 -1.676 989 1HG2 ILE 131 1HG2 ILE 131 6.299 -9.278 0.771 990 2HG2 ILE 131 2HG2 ILE 131 6.870 -10.833 0.165 991 3HG2 ILE 131 3HG2 ILE 131 6.805 -9.438 -0.911 992 1HD1 ILE 131 1HD1 ILE 131 6.116 -10.668 -2.667 993 2HD1 ILE 131 2HD1 ILE 131 6.926 -11.987 -1.822 994 3HD1 ILE 131 3HD1 ILE 131 5.726 -12.342 -3.063 995 H GLU 132 H GLU 132 5.607 -10.092 2.766 996 HA GLU 132 HA GLU 132 6.358 -12.905 3.024 997 1HB GLU 132 1HB GLU 132 7.154 -10.333 4.308 998 2HB GLU 132 2HB GLU 132 7.447 -11.820 5.211 999 1HG GLU 132 1HG GLU 132 8.201 -12.050 2.392 1000 2HG GLU 132 2HG GLU 132 9.095 -10.784 3.232 1001 H LEU 133 H LEU 133 4.245 -10.653 4.761 1002 HA LEU 133 HA LEU 133 3.746 -12.628 6.877 1003 1HB LEU 133 1HB LEU 133 2.579 -10.949 7.989 1004 2HB LEU 133 2HB LEU 133 3.728 -10.004 7.048 1005 HG LEU 133 HG LEU 133 1.692 -10.222 5.255 1006 1HD1 LEU 133 1HD1 LEU 133 0.606 -10.941 7.842 1007 2HD1 LEU 133 2HD1 LEU 133 -0.143 -9.457 7.253 1008 3HD1 LEU 133 3HD1 LEU 133 -0.194 -10.921 6.270 1009 1HD2 LEU 133 1HD2 LEU 133 2.253 -8.192 7.421 1010 2HD2 LEU 133 2HD2 LEU 133 2.645 -8.100 5.704 1011 3HD2 LEU 133 3HD2 LEU 133 0.972 -7.931 6.237 1012 H THR 134 H THR 134 2.734 -12.424 3.747 1013 HA THR 134 HA THR 134 -0.101 -13.038 4.165 1014 HB THR 134 HB THR 134 0.413 -13.816 1.598 1015 HG1 THR 134 HG1 THR 134 2.405 -13.258 1.244 1016 1HG2 THR 134 1HG2 THR 134 -0.980 -11.837 2.824 1017 2HG2 THR 134 2HG2 THR 134 0.248 -10.885 1.992 1018 3HG2 THR 134 3HG2 THR 134 -0.805 -11.961 1.074 1019 H LYS 135 H LYS 135 2.682 -14.771 4.662 1020 HA LYS 135 HA LYS 135 1.774 -17.333 3.573 1021 1HB LYS 135 1HB LYS 135 3.770 -18.241 4.736 1022 2HB LYS 135 2HB LYS 135 4.175 -16.858 3.719 1023 1HG LYS 135 1HG LYS 135 5.214 -16.102 5.606 1024 2HG LYS 135 2HG LYS 135 3.588 -15.596 6.061 1025 1HD LYS 135 1HD LYS 135 4.641 -16.878 7.883 1026 2HD LYS 135 2HD LYS 135 3.249 -17.745 7.232 1027 1HE LYS 135 1HE LYS 135 5.590 -18.450 5.717 1028 2HE LYS 135 2HE LYS 135 5.923 -18.675 7.434 1029 1HZ LYS 135 1HZ LYS 135 3.421 -19.657 6.207 1030 2HZ LYS 135 2HZ LYS 135 4.842 -20.589 6.183 1031 3HZ LYS 135 3HZ LYS 135 4.143 -20.137 7.665 1032 H LYS 136 H LYS 136 1.503 -15.592 6.587 1033 HA LYS 136 HA LYS 136 0.653 -18.009 8.057 1034 1HB LYS 136 1HB LYS 136 1.905 -15.734 8.880 1035 2HB LYS 136 2HB LYS 136 0.230 -15.342 9.272 1036 1HG LYS 136 1HG LYS 136 0.275 -17.843 10.230 1037 2HG LYS 136 2HG LYS 136 1.992 -17.473 10.396 1038 1HD LYS 136 1HD LYS 136 1.587 -15.667 11.856 1039 2HD LYS 136 2HD LYS 136 -0.106 -15.542 11.376 1040 1HE LYS 136 1HE LYS 136 0.061 -16.580 13.593 1041 2HE LYS 136 2HE LYS 136 -0.544 -17.752 12.422 1042 1HZ LYS 136 1HZ LYS 136 2.338 -17.638 12.702 1043 2HZ LYS 136 2HZ LYS 136 1.502 -18.214 14.063 1044 3HZ LYS 136 3HZ LYS 136 1.313 -18.981 12.560 1045 H ALA 137 H ALA 137 -0.770 -15.740 6.000 1046 HA ALA 137 HA ALA 137 -3.428 -15.953 7.318 1047 1HB ALA 137 1HB ALA 137 -2.340 -13.781 6.251 1048 2HB ALA 137 2HB ALA 137 -2.991 -14.460 4.759 1049 3HB ALA 137 3HB ALA 137 -4.071 -14.085 6.101 1050 H MET 138 H MET 138 -2.275 -18.319 6.127 1051 HA MET 138 HA MET 138 -4.115 -18.683 3.794 1052 1HB MET 138 1HB MET 138 -1.595 -20.255 4.404 1053 2HB MET 138 2HB MET 138 -2.584 -20.363 2.947 1054 1HG MET 138 1HG MET 138 -1.958 -18.184 2.231 1055 2HG MET 138 2HG MET 138 -1.300 -17.770 3.813 1056 1HE MET 138 1HE MET 138 -0.121 -17.168 1.312 1057 2HE MET 138 2HE MET 138 1.462 -17.893 1.001 1058 3HE MET 138 3HE MET 138 0.015 -18.579 0.265 Start of MODEL 11 1 1H ALA 1 1H ALA 1 -22.406 3.045 13.510 2 2H ALA 1 2H ALA 1 -24.024 2.911 13.011 3 3H ALA 1 3H ALA 1 -23.178 1.532 13.520 4 HA ALA 1 HA ALA 1 -23.359 1.569 11.115 5 1HB ALA 1 1HB ALA 1 -21.958 4.230 11.487 6 2HB ALA 1 2HB ALA 1 -22.028 3.386 9.941 7 3HB ALA 1 3HB ALA 1 -23.515 3.939 10.710 8 H MET 2 H MET 2 -21.448 0.947 9.746 9 HA MET 2 HA MET 2 -18.774 0.961 10.699 10 1HB MET 2 1HB MET 2 -20.044 -0.513 12.452 11 2HB MET 2 2HB MET 2 -20.007 -1.740 11.186 12 1HG MET 2 1HG MET 2 -18.027 -2.146 12.398 13 2HG MET 2 2HG MET 2 -17.476 -1.192 11.022 14 1HE MET 2 1HE MET 2 -16.721 -1.969 14.074 15 2HE MET 2 2HE MET 2 -15.357 -1.069 13.395 16 3HE MET 2 3HE MET 2 -16.077 -0.566 14.922 17 H THR 3 H THR 3 -20.116 1.200 8.194 18 HA THR 3 HA THR 3 -18.537 -0.666 6.621 19 HB THR 3 HB THR 3 -20.883 -1.322 5.432 20 HG1 THR 3 HG1 THR 3 -21.384 -1.156 8.217 21 1HG2 THR 3 1HG2 THR 3 -18.942 -2.745 6.377 22 2HG2 THR 3 2HG2 THR 3 -19.927 -2.871 7.834 23 3HG2 THR 3 3HG2 THR 3 -20.539 -3.488 6.299 24 H TYR 4 H TYR 4 -18.210 0.148 4.579 25 HA TYR 4 HA TYR 4 -20.036 2.170 3.459 26 1HB TYR 4 1HB TYR 4 -18.333 3.895 3.262 27 2HB TYR 4 2HB TYR 4 -18.490 3.450 4.960 28 HD1 TYR 4 HD1 TYR 4 -16.947 1.218 5.524 29 HD2 TYR 4 HD2 TYR 4 -16.161 4.204 2.537 30 HE1 TYR 4 HE1 TYR 4 -14.544 0.645 5.590 31 HE2 TYR 4 HE2 TYR 4 -13.749 3.630 2.601 32 HH TYR 4 HH TYR 4 -12.508 1.216 4.900 33 H HIS 5 H HIS 5 -17.645 3.011 1.733 34 HA HIS 5 HA HIS 5 -17.257 0.470 0.228 35 1HB HIS 5 1HB HIS 5 -19.192 1.606 -0.783 36 2HB HIS 5 2HB HIS 5 -18.242 3.081 -0.960 37 HD1 HIS 5 HD1 HIS 5 -15.806 2.513 -2.339 38 HD2 HIS 5 HD2 HIS 5 -19.153 0.152 -3.109 39 HE1 HIS 5 HE1 HIS 5 -15.385 1.380 -4.565 40 H LEU 6 H LEU 6 -15.261 0.357 -0.829 41 HA LEU 6 HA LEU 6 -13.638 2.820 -0.908 42 1HB LEU 6 1HB LEU 6 -11.815 1.971 0.247 43 2HB LEU 6 2HB LEU 6 -13.145 1.255 1.149 44 HG LEU 6 HG LEU 6 -12.918 -0.678 -0.592 45 1HD1 LEU 6 1HD1 LEU 6 -10.542 1.014 -1.067 46 2HD1 LEU 6 2HD1 LEU 6 -10.204 -0.708 -0.898 47 3HD1 LEU 6 3HD1 LEU 6 -11.328 -0.148 -2.136 48 1HD2 LEU 6 1HD2 LEU 6 -11.577 -0.083 1.926 49 2HD2 LEU 6 2HD2 LEU 6 -12.324 -1.588 1.391 50 3HD2 LEU 6 3HD2 LEU 6 -10.655 -1.226 0.949 51 H ASP 7 H ASP 7 -11.935 2.733 -2.563 52 HA ASP 7 HA ASP 7 -12.014 0.373 -4.361 53 1HB ASP 7 1HB ASP 7 -13.776 2.247 -4.959 54 2HB ASP 7 2HB ASP 7 -12.364 3.078 -5.611 55 H VAL 8 H VAL 8 -9.778 0.010 -4.046 56 HA VAL 8 HA VAL 8 -7.959 2.308 -4.585 57 HB VAL 8 HB VAL 8 -7.337 1.142 -2.593 58 1HG1 VAL 8 1HG1 VAL 8 -7.882 -1.295 -4.269 59 2HG1 VAL 8 2HG1 VAL 8 -6.836 -1.407 -2.854 60 3HG1 VAL 8 3HG1 VAL 8 -8.512 -0.890 -2.673 61 1HG2 VAL 8 1HG2 VAL 8 -5.582 1.502 -4.577 62 2HG2 VAL 8 2HG2 VAL 8 -5.117 0.697 -3.078 63 3HG2 VAL 8 3HG2 VAL 8 -5.513 -0.258 -4.507 64 H VAL 9 H VAL 9 -7.541 2.531 -6.731 65 HA VAL 9 HA VAL 9 -6.918 0.044 -8.274 66 HB VAL 9 HB VAL 9 -7.899 1.106 -10.257 67 1HG1 VAL 9 1HG1 VAL 9 -9.278 0.008 -8.173 68 2HG1 VAL 9 2HG1 VAL 9 -10.082 1.571 -8.315 69 3HG1 VAL 9 3HG1 VAL 9 -10.021 0.482 -9.701 70 1HG2 VAL 9 1HG2 VAL 9 -8.212 3.402 -8.334 71 2HG2 VAL 9 2HG2 VAL 9 -7.577 3.415 -9.979 72 3HG2 VAL 9 3HG2 VAL 9 -9.310 3.239 -9.704 73 H SER 10 H SER 10 -5.302 0.321 -9.943 74 HA SER 10 HA SER 10 -3.892 2.838 -10.264 75 1HB SER 10 1HB SER 10 -2.756 2.506 -8.263 76 2HB SER 10 2HB SER 10 -2.860 0.752 -8.376 77 HG SER 10 HG SER 10 -0.970 0.809 -9.273 78 H ALA 11 H ALA 11 -3.714 2.606 -12.454 79 HA ALA 11 HA ALA 11 -2.764 1.792 -14.457 80 1HB ALA 11 1HB ALA 11 -1.021 0.825 -12.661 81 2HB ALA 11 2HB ALA 11 -1.759 -0.699 -13.158 82 3HB ALA 11 3HB ALA 11 -0.979 0.336 -14.355 83 H GLU 12 H GLU 12 -5.432 1.162 -13.460 84 HA GLU 12 HA GLU 12 -7.230 -0.257 -13.970 85 1HB GLU 12 1HB GLU 12 -5.333 -1.040 -16.205 86 2HB GLU 12 2HB GLU 12 -7.049 -1.446 -16.149 87 1HG GLU 12 1HG GLU 12 -7.278 1.185 -15.755 88 2HG GLU 12 2HG GLU 12 -5.741 1.198 -16.622 89 H GLN 13 H GLN 13 -5.399 -1.228 -12.000 90 HA GLN 13 HA GLN 13 -4.964 -4.078 -12.614 91 1HB GLN 13 1HB GLN 13 -4.261 -2.242 -10.351 92 2HB GLN 13 2HB GLN 13 -4.293 -3.982 -10.056 93 1HG GLN 13 1HG GLN 13 -2.863 -4.125 -12.240 94 2HG GLN 13 2HG GLN 13 -2.533 -2.421 -11.931 95 1HE2 GLN 13 2HE2 GLN 13 -0.230 -3.455 -11.647 96 2HE2 GLN 13 1HE2 GLN 13 0.170 -3.968 -10.079 97 H GLN 14 H GLN 14 -6.949 -2.099 -10.438 98 HA GLN 14 HA GLN 14 -9.060 -2.568 -9.512 99 1HB GLN 14 1HB GLN 14 -8.921 -4.204 -11.808 100 2HB GLN 14 2HB GLN 14 -9.477 -5.249 -10.502 101 1HG GLN 14 1HG GLN 14 -11.448 -4.115 -10.247 102 2HG GLN 14 2HG GLN 14 -10.715 -2.554 -10.622 103 1HE2 GLN 14 2HE2 GLN 14 -10.750 -1.838 -12.817 104 2HE2 GLN 14 1HE2 GLN 14 -11.508 -2.708 -14.061 105 H MET 15 H MET 15 -7.937 -2.758 -7.448 106 HA MET 15 HA MET 15 -7.342 -5.542 -6.580 107 1HB MET 15 1HB MET 15 -6.763 -2.855 -5.294 108 2HB MET 15 2HB MET 15 -6.391 -4.408 -4.543 109 1HG MET 15 1HG MET 15 -5.409 -4.375 -7.257 110 2HG MET 15 2HG MET 15 -4.794 -2.974 -6.381 111 1HE MET 15 1HE MET 15 -2.919 -2.917 -5.183 112 2HE MET 15 2HE MET 15 -1.837 -4.267 -4.821 113 3HE MET 15 3HE MET 15 -2.233 -3.874 -6.492 114 H PHE 16 H PHE 16 -8.370 -3.067 -4.326 115 HA PHE 16 HA PHE 16 -10.681 -4.782 -3.611 116 1HB PHE 16 1HB PHE 16 -9.088 -3.907 -1.839 117 2HB PHE 16 2HB PHE 16 -9.709 -2.293 -2.179 118 HD1 PHE 16 HD1 PHE 16 -12.155 -1.807 -1.865 119 HD2 PHE 16 HD2 PHE 16 -10.371 -5.475 -0.544 120 HE1 PHE 16 HE1 PHE 16 -14.132 -2.249 -0.487 121 HE2 PHE 16 HE2 PHE 16 -12.360 -5.934 0.851 122 HZ PHE 16 HZ PHE 16 -14.250 -4.328 0.875 123 H SER 17 H SER 17 -12.497 -4.319 -4.774 124 HA SER 17 HA SER 17 -13.300 -1.455 -4.963 125 1HB SER 17 1HB SER 17 -13.914 -1.674 -7.269 126 2HB SER 17 2HB SER 17 -12.274 -2.298 -7.132 127 HG SER 17 HG SER 17 -13.384 -4.404 -6.811 128 H GLY 18 H GLY 18 -15.120 -1.421 -3.729 129 1HA GLY 18 1HA GLY 18 -17.608 -2.211 -4.270 130 2HA GLY 18 2HA GLY 18 -16.943 -3.760 -3.745 131 H LEU 19 H LEU 19 -18.742 -3.365 -2.042 132 HA LEU 19 HA LEU 19 -18.581 -1.356 -0.080 133 1HB LEU 19 1HB LEU 19 -19.384 -4.267 0.192 134 2HB LEU 19 2HB LEU 19 -19.617 -3.066 1.464 135 HG LEU 19 HG LEU 19 -20.842 -3.087 -1.304 136 1HD1 LEU 19 1HD1 LEU 19 -21.924 -4.389 0.559 137 2HD1 LEU 19 2HD1 LEU 19 -22.101 -2.876 1.445 138 3HD1 LEU 19 3HD1 LEU 19 -22.937 -3.101 -0.092 139 1HD2 LEU 19 1HD2 LEU 19 -20.689 -0.867 0.756 140 2HD2 LEU 19 2HD2 LEU 19 -20.148 -0.811 -0.923 141 3HD2 LEU 19 3HD2 LEU 19 -21.873 -0.886 -0.552 142 H VAL 20 H VAL 20 -17.875 -2.020 2.344 143 HA VAL 20 HA VAL 20 -15.577 -3.704 2.627 144 HB VAL 20 HB VAL 20 -14.115 -2.415 1.497 145 1HG1 VAL 20 1HG1 VAL 20 -16.190 -0.295 1.764 146 2HG1 VAL 20 2HG1 VAL 20 -14.568 0.132 1.224 147 3HG1 VAL 20 3HG1 VAL 20 -15.522 -1.034 0.310 148 1HG2 VAL 20 1HG2 VAL 20 -14.416 -0.796 4.011 149 2HG2 VAL 20 2HG2 VAL 20 -13.157 -1.979 3.600 150 3HG2 VAL 20 3HG2 VAL 20 -13.212 -0.422 2.770 151 H GLU 21 H GLU 21 -14.919 -3.810 4.792 152 HA GLU 21 HA GLU 21 -16.564 -2.137 6.633 153 1HB GLU 21 1HB GLU 21 -15.977 -4.959 6.528 154 2HB GLU 21 2HB GLU 21 -15.401 -4.289 8.055 155 1HG GLU 21 1HG GLU 21 -17.822 -3.053 7.843 156 2HG GLU 21 2HG GLU 21 -18.168 -4.593 7.055 157 H LYS 22 H LYS 22 -13.274 -3.587 6.355 158 HA LYS 22 HA LYS 22 -12.267 -1.150 7.713 159 1HB LYS 22 1HB LYS 22 -11.905 -3.965 8.749 160 2HB LYS 22 2HB LYS 22 -10.869 -2.624 9.242 161 1HG LYS 22 1HG LYS 22 -13.874 -2.429 9.426 162 2HG LYS 22 2HG LYS 22 -12.921 -3.145 10.726 163 1HD LYS 22 1HD LYS 22 -11.589 -1.079 10.897 164 2HD LYS 22 2HD LYS 22 -12.532 -0.359 9.592 165 1HE LYS 22 1HE LYS 22 -14.593 -0.672 10.976 166 2HE LYS 22 2HE LYS 22 -13.575 -1.242 12.299 167 1HZ LYS 22 1HZ LYS 22 -12.991 1.337 11.012 168 2HZ LYS 22 2HZ LYS 22 -14.232 1.241 12.165 169 3HZ LYS 22 3HZ LYS 22 -12.644 0.820 12.593 170 H ILE 23 H ILE 23 -10.972 -0.501 6.021 171 HA ILE 23 HA ILE 23 -9.038 -2.486 4.894 172 HB ILE 23 HB ILE 23 -9.863 -1.426 3.050 173 1HG1 ILE 23 1HG1 ILE 23 -7.847 0.668 3.900 174 2HG1 ILE 23 2HG1 ILE 23 -7.422 -0.895 3.206 175 1HG2 ILE 23 1HG2 ILE 23 -10.335 0.904 4.888 176 2HG2 ILE 23 2HG2 ILE 23 -10.404 1.121 3.138 177 3HG2 ILE 23 3HG2 ILE 23 -11.505 -0.006 3.931 178 1HD1 ILE 23 1HD1 ILE 23 -9.230 -0.050 1.371 179 2HD1 ILE 23 2HD1 ILE 23 -8.582 1.504 1.899 180 3HD1 ILE 23 3HD1 ILE 23 -7.501 0.277 1.240 181 H GLN 24 H GLN 24 -7.248 -2.533 6.175 182 HA GLN 24 HA GLN 24 -6.383 -0.034 7.537 183 1HB GLN 24 1HB GLN 24 -5.162 -2.759 7.954 184 2HB GLN 24 2HB GLN 24 -5.209 -1.391 9.068 185 1HG GLN 24 1HG GLN 24 -7.900 -1.946 8.464 186 2HG GLN 24 2HG GLN 24 -7.144 -3.521 8.717 187 1HE2 GLN 24 2HE2 GLN 24 -8.006 -0.478 10.289 188 2HE2 GLN 24 1HE2 GLN 24 -7.615 -0.973 11.866 189 H VAL 25 H VAL 25 -4.996 1.169 6.322 190 HA VAL 25 HA VAL 25 -3.020 -0.246 4.601 191 HB VAL 25 HB VAL 25 -4.325 1.522 3.512 192 1HG1 VAL 25 1HG1 VAL 25 -3.700 2.910 6.009 193 2HG1 VAL 25 2HG1 VAL 25 -3.366 3.900 4.587 194 3HG1 VAL 25 3HG1 VAL 25 -4.979 3.233 4.839 195 1HG2 VAL 25 1HG2 VAL 25 -1.513 1.332 3.589 196 2HG2 VAL 25 2HG2 VAL 25 -2.492 2.065 2.318 197 3HG2 VAL 25 3HG2 VAL 25 -1.873 3.058 3.637 198 H THR 26 H THR 26 -0.777 0.158 4.840 199 HA THR 26 HA THR 26 0.032 1.734 7.239 200 HB THR 26 HB THR 26 0.800 -1.116 6.568 201 HG1 THR 26 HG1 THR 26 0.316 -1.025 9.006 202 1HG2 THR 26 1HG2 THR 26 2.842 0.187 7.070 203 2HG2 THR 26 2HG2 THR 26 2.102 0.753 8.569 204 3HG2 THR 26 3HG2 THR 26 2.475 -0.959 8.359 205 H GLY 27 H GLY 27 1.527 3.207 6.613 206 1HA GLY 27 1HA GLY 27 3.645 2.425 4.714 207 2HA GLY 27 2HA GLY 27 2.588 3.733 4.183 208 H SER 28 H SER 28 4.993 4.659 4.324 209 HA SER 28 HA SER 28 5.843 5.448 7.003 210 1HB SER 28 1HB SER 28 7.081 5.295 4.527 211 2HB SER 28 2HB SER 28 6.909 7.031 4.777 212 HG SER 28 HG SER 28 8.821 5.804 5.705 213 H GLU 29 H GLU 29 5.753 7.605 7.851 214 HA GLU 29 HA GLU 29 4.764 9.704 8.216 215 1HB GLU 29 1HB GLU 29 3.947 9.711 5.310 216 2HB GLU 29 2HB GLU 29 4.356 11.085 6.338 217 1HG GLU 29 1HG GLU 29 6.392 8.943 5.745 218 2HG GLU 29 2HG GLU 29 6.132 10.277 4.621 219 H GLY 30 H GLY 30 3.154 8.330 9.410 220 1HA GLY 30 1HA GLY 30 0.785 8.501 9.930 221 2HA GLY 30 2HA GLY 30 0.455 8.695 8.206 222 H GLU 31 H GLU 31 -1.110 6.847 9.207 223 HA GLU 31 HA GLU 31 -0.488 4.447 7.855 224 1HB GLU 31 1HB GLU 31 -0.059 2.967 9.871 225 2HB GLU 31 2HB GLU 31 1.276 4.033 9.430 226 1HG GLU 31 1HG GLU 31 1.128 4.383 11.737 227 2HG GLU 31 2HG GLU 31 0.142 5.701 11.106 228 H LEU 32 H LEU 32 -2.754 6.130 8.356 229 HA LEU 32 HA LEU 32 -4.517 4.529 10.118 230 1HB LEU 32 1HB LEU 32 -4.662 7.208 8.819 231 2HB LEU 32 2HB LEU 32 -6.194 6.354 9.059 232 HG LEU 32 HG LEU 32 -4.207 6.534 11.314 233 1HD1 LEU 32 1HD1 LEU 32 -4.679 8.844 10.298 234 2HD1 LEU 32 2HD1 LEU 32 -6.348 8.611 10.820 235 3HD1 LEU 32 3HD1 LEU 32 -5.049 8.650 12.012 236 1HD2 LEU 32 1HD2 LEU 32 -6.351 5.094 11.272 237 2HD2 LEU 32 2HD2 LEU 32 -6.121 6.149 12.667 238 3HD2 LEU 32 3HD2 LEU 32 -7.228 6.622 11.377 239 H GLY 33 H GLY 33 -6.393 3.477 9.317 240 1HA GLY 33 1HA GLY 33 -6.207 2.756 6.436 241 2HA GLY 33 2HA GLY 33 -7.071 1.827 7.666 242 H ILE 34 H ILE 34 -8.624 2.300 5.565 243 HA ILE 34 HA ILE 34 -10.058 4.843 6.072 244 HB ILE 34 HB ILE 34 -10.149 2.840 3.810 245 1HG1 ILE 34 1HG1 ILE 34 -8.332 4.512 3.819 246 2HG1 ILE 34 2HG1 ILE 34 -9.476 4.839 2.515 247 1HG2 ILE 34 1HG2 ILE 34 -12.453 3.804 4.537 248 2HG2 ILE 34 2HG2 ILE 34 -11.826 5.345 3.957 249 3HG2 ILE 34 3HG2 ILE 34 -11.979 3.984 2.851 250 1HD1 ILE 34 1HD1 ILE 34 -10.671 6.336 4.307 251 2HD1 ILE 34 2HD1 ILE 34 -9.099 6.305 5.113 252 3HD1 ILE 34 3HD1 ILE 34 -9.243 6.957 3.477 253 H TYR 35 H TYR 35 -12.116 4.883 6.834 254 HA TYR 35 HA TYR 35 -13.497 2.299 7.372 255 1HB TYR 35 1HB TYR 35 -14.120 3.646 9.620 256 2HB TYR 35 2HB TYR 35 -12.705 2.602 9.526 257 HD1 TYR 35 HD1 TYR 35 -10.454 3.697 8.829 258 HD2 TYR 35 HD2 TYR 35 -13.907 5.939 10.068 259 HE1 TYR 35 HE1 TYR 35 -9.016 5.657 9.292 260 HE2 TYR 35 HE2 TYR 35 -12.461 7.901 10.531 261 HH TYR 35 HH TYR 35 -9.521 7.921 11.101 262 HA PRO 36 HA PRO 36 -17.090 4.517 6.172 263 1HB PRO 36 1HB PRO 36 -18.977 3.743 8.025 264 2HB PRO 36 2HB PRO 36 -18.411 2.709 6.702 265 1HG PRO 36 1HG PRO 36 -17.721 2.590 9.608 266 2HG PRO 36 2HG PRO 36 -17.777 1.284 8.413 267 1HD PRO 36 1HD PRO 36 -15.438 2.513 9.338 268 2HD PRO 36 2HD PRO 36 -15.565 1.559 7.849 269 H GLY 37 H GLY 37 -16.011 6.570 6.815 270 1HA GLY 37 1HA GLY 37 -17.285 8.612 7.804 271 2HA GLY 37 2HA GLY 37 -17.072 7.759 9.334 272 H HIS 38 H HIS 38 -14.679 7.838 6.725 273 HA HIS 38 HA HIS 38 -12.668 8.828 8.616 274 1HB HIS 38 1HB HIS 38 -11.988 7.100 7.050 275 2HB HIS 38 2HB HIS 38 -12.525 8.076 5.682 276 HD1 HIS 38 HD1 HIS 38 -10.339 8.622 4.546 277 HD2 HIS 38 HD2 HIS 38 -10.216 9.387 8.643 278 HE1 HIS 38 HE1 HIS 38 -8.138 9.792 4.990 279 H ALA 39 H ALA 39 -11.688 10.867 8.533 280 HA ALA 39 HA ALA 39 -13.132 13.114 7.752 281 1HB ALA 39 1HB ALA 39 -10.841 12.879 9.045 282 2HB ALA 39 2HB ALA 39 -10.145 13.166 7.450 283 3HB ALA 39 3HB ALA 39 -11.212 14.368 8.175 284 HA PRO 40 HA PRO 40 -12.868 13.305 3.379 285 1HB PRO 40 1HB PRO 40 -13.022 16.029 3.031 286 2HB PRO 40 2HB PRO 40 -14.405 15.019 3.485 287 1HG PRO 40 1HG PRO 40 -12.808 16.884 5.178 288 2HG PRO 40 2HG PRO 40 -14.492 16.367 5.361 289 1HD PRO 40 1HD PRO 40 -12.291 15.387 6.845 290 2HD PRO 40 2HD PRO 40 -13.908 14.654 6.768 291 H LEU 41 H LEU 41 -10.604 12.578 3.205 292 HA LEU 41 HA LEU 41 -8.581 14.757 3.062 293 1HB LEU 41 1HB LEU 41 -8.513 11.853 3.601 294 2HB LEU 41 2HB LEU 41 -7.204 12.442 2.576 295 HG LEU 41 HG LEU 41 -6.737 12.502 5.077 296 1HD1 LEU 41 1HD1 LEU 41 -6.543 14.819 3.195 297 2HD1 LEU 41 2HD1 LEU 41 -6.071 15.071 4.876 298 3HD1 LEU 41 3HD1 LEU 41 -5.258 13.842 3.906 299 1HD2 LEU 41 1HD2 LEU 41 -9.076 13.283 5.645 300 2HD2 LEU 41 2HD2 LEU 41 -7.793 14.235 6.391 301 3HD2 LEU 41 3HD2 LEU 41 -8.644 14.857 4.979 302 H LEU 42 H LEU 42 -7.210 14.903 1.153 303 HA LEU 42 HA LEU 42 -7.965 13.394 -1.243 304 1HB LEU 42 1HB LEU 42 -8.252 15.810 -2.387 305 2HB LEU 42 2HB LEU 42 -9.621 14.915 -1.726 306 HG LEU 42 HG LEU 42 -9.343 16.118 0.428 307 1HD1 LEU 42 1HD1 LEU 42 -7.172 17.557 -1.123 308 2HD1 LEU 42 2HD1 LEU 42 -7.844 18.145 0.399 309 3HD1 LEU 42 3HD1 LEU 42 -6.975 16.610 0.353 310 1HD2 LEU 42 1HD2 LEU 42 -9.587 17.886 -2.028 311 2HD2 LEU 42 2HD2 LEU 42 -10.900 17.006 -1.245 312 3HD2 LEU 42 3HD2 LEU 42 -10.107 18.338 -0.404 313 H THR 43 H THR 43 -5.631 12.935 -0.737 314 HA THR 43 HA THR 43 -3.930 14.700 -2.352 315 HB THR 43 HB THR 43 -3.924 15.585 0.067 316 HG1 THR 43 HG1 THR 43 -2.287 16.043 -1.449 317 1HG2 THR 43 1HG2 THR 43 -3.558 12.936 0.694 318 2HG2 THR 43 2HG2 THR 43 -1.914 13.566 0.796 319 3HG2 THR 43 3HG2 THR 43 -3.196 14.284 1.772 320 H ALA 44 H ALA 44 -1.527 13.409 -1.021 321 HA ALA 44 HA ALA 44 -1.788 10.802 -2.429 322 1HB ALA 44 1HB ALA 44 0.236 12.744 -2.387 323 2HB ALA 44 2HB ALA 44 0.867 11.416 -1.413 324 3HB ALA 44 3HB ALA 44 0.352 11.122 -3.073 325 H ILE 45 H ILE 45 -1.641 8.873 -1.301 326 HA ILE 45 HA ILE 45 -0.575 8.838 1.435 327 HB ILE 45 HB ILE 45 -3.310 7.705 1.314 328 1HG1 ILE 45 1HG1 ILE 45 -2.914 10.709 1.501 329 2HG1 ILE 45 2HG1 ILE 45 -3.498 9.893 0.050 330 1HG2 ILE 45 1HG2 ILE 45 -1.521 9.145 3.242 331 2HG2 ILE 45 2HG2 ILE 45 -3.258 9.121 3.547 332 3HG2 ILE 45 3HG2 ILE 45 -2.361 7.607 3.436 333 1HD1 ILE 45 1HD1 ILE 45 -5.003 8.935 2.294 334 2HD1 ILE 45 2HD1 ILE 45 -5.007 10.699 2.329 335 3HD1 ILE 45 3HD1 ILE 45 -5.580 9.843 0.897 336 H LYS 46 H LYS 46 -1.491 6.417 2.293 337 HA LYS 46 HA LYS 46 -1.202 4.111 2.015 338 1HB LYS 46 1HB LYS 46 -2.125 5.066 -0.641 339 2HB LYS 46 2HB LYS 46 -1.351 3.482 -0.610 340 1HG LYS 46 1HG LYS 46 -3.198 2.559 0.278 341 2HG LYS 46 2HG LYS 46 -3.148 3.696 1.625 342 1HD LYS 46 1HD LYS 46 -4.130 5.379 -0.157 343 2HD LYS 46 2HD LYS 46 -4.642 3.898 -0.966 344 1HE LYS 46 1HE LYS 46 -5.176 4.281 1.971 345 2HE LYS 46 2HE LYS 46 -6.253 4.994 0.772 346 1HZ LYS 46 1HZ LYS 46 -5.781 2.401 -0.054 347 2HZ LYS 46 2HZ LYS 46 -6.068 2.301 1.617 348 3HZ LYS 46 3HZ LYS 46 -7.218 3.024 0.596 349 HA PRO 47 HA PRO 47 3.083 5.001 0.277 350 1HB PRO 47 1HB PRO 47 4.393 5.535 2.627 351 2HB PRO 47 2HB PRO 47 3.647 6.789 1.621 352 1HG PRO 47 1HG PRO 47 2.700 5.652 4.211 353 2HG PRO 47 2HG PRO 47 2.400 7.250 3.511 354 1HD PRO 47 1HD PRO 47 0.588 5.072 3.514 355 2HD PRO 47 2HD PRO 47 0.451 6.560 2.554 356 H GLY 48 H GLY 48 2.279 2.489 0.349 357 1HA GLY 48 1HA GLY 48 4.318 0.815 1.019 358 2HA GLY 48 2HA GLY 48 3.502 0.992 2.571 359 H MET 49 H MET 49 2.277 -0.787 2.923 360 HA MET 49 HA MET 49 0.838 -1.993 0.602 361 1HB MET 49 1HB MET 49 0.659 -4.011 2.095 362 2HB MET 49 2HB MET 49 2.321 -3.570 1.697 363 1HG MET 49 1HG MET 49 2.801 -2.894 3.836 364 2HG MET 49 2HG MET 49 1.164 -2.308 4.128 365 1HE MET 49 1HE MET 49 -0.656 -3.354 4.700 366 2HE MET 49 2HE MET 49 -0.904 -4.844 3.795 367 3HE MET 49 3HE MET 49 -0.824 -4.894 5.554 368 H ILE 50 H ILE 50 -1.159 -3.382 1.882 369 HA ILE 50 HA ILE 50 -2.553 -1.974 3.927 370 HB ILE 50 HB ILE 50 -2.743 -0.141 2.374 371 1HG1 ILE 50 1HG1 ILE 50 -4.808 -1.032 3.703 372 2HG1 ILE 50 2HG1 ILE 50 -5.067 0.176 2.449 373 1HG2 ILE 50 1HG2 ILE 50 -3.025 -2.309 0.454 374 2HG2 ILE 50 2HG2 ILE 50 -4.271 -1.080 0.232 375 3HG2 ILE 50 3HG2 ILE 50 -2.566 -0.629 0.184 376 1HD1 ILE 50 1HD1 ILE 50 -5.144 -2.488 1.307 377 2HD1 ILE 50 2HD1 ILE 50 -6.289 -2.352 2.638 378 3HD1 ILE 50 3HD1 ILE 50 -6.379 -1.232 1.281 379 H ARG 51 H ARG 51 -3.996 -3.413 4.699 380 HA ARG 51 HA ARG 51 -5.023 -5.534 2.863 381 1HB ARG 51 1HB ARG 51 -3.844 -5.635 5.487 382 2HB ARG 51 2HB ARG 51 -5.510 -6.205 5.587 383 1HG ARG 51 1HG ARG 51 -4.395 -7.316 3.220 384 2HG ARG 51 2HG ARG 51 -3.220 -7.565 4.512 385 1HD ARG 51 1HD ARG 51 -6.013 -8.082 5.302 386 2HD ARG 51 2HD ARG 51 -5.394 -9.177 4.067 387 HE ARG 51 HE ARG 51 -3.715 -9.934 5.636 388 1HH1 ARG 51 1HH2 ARG 51 -6.416 -9.592 7.212 389 2HH1 ARG 51 2HH2 ARG 51 -5.795 -8.973 8.706 390 1HH2 ARG 51 1HH1 ARG 51 -2.661 -8.248 7.411 391 2HH2 ARG 51 2HH1 ARG 51 -3.670 -8.213 8.818 392 H ILE 52 H ILE 52 -7.294 -6.344 3.709 393 HA ILE 52 HA ILE 52 -8.914 -4.240 4.983 394 HB ILE 52 HB ILE 52 -9.655 -5.135 2.216 395 1HG1 ILE 52 1HG1 ILE 52 -8.231 -2.582 2.986 396 2HG1 ILE 52 2HG1 ILE 52 -7.498 -3.927 2.111 397 1HG2 ILE 52 1HG2 ILE 52 -10.643 -3.069 4.142 398 2HG2 ILE 52 2HG2 ILE 52 -10.930 -2.893 2.410 399 3HG2 ILE 52 3HG2 ILE 52 -11.557 -4.299 3.269 400 1HD1 ILE 52 1HD1 ILE 52 -10.027 -3.003 0.935 401 2HD1 ILE 52 2HD1 ILE 52 -8.745 -1.790 0.917 402 3HD1 ILE 52 3HD1 ILE 52 -8.484 -3.358 0.158 403 H VAL 53 H VAL 53 -11.234 -5.002 5.208 404 HA VAL 53 HA VAL 53 -11.462 -7.964 5.075 405 HB VAL 53 HB VAL 53 -11.843 -6.206 7.506 406 1HG1 VAL 53 1HG1 VAL 53 -13.789 -7.732 7.201 407 2HG1 VAL 53 2HG1 VAL 53 -12.676 -9.098 7.150 408 3HG1 VAL 53 3HG1 VAL 53 -12.828 -8.139 8.623 409 1HG2 VAL 53 1HG2 VAL 53 -9.585 -7.256 6.898 410 2HG2 VAL 53 2HG2 VAL 53 -10.208 -7.626 8.506 411 3HG2 VAL 53 3HG2 VAL 53 -10.344 -8.816 7.211 412 H LYS 54 H LYS 54 -13.163 -8.162 3.704 413 HA LYS 54 HA LYS 54 -15.802 -7.872 4.295 414 1HB LYS 54 1HB LYS 54 -15.674 -5.517 4.728 415 2HB LYS 54 2HB LYS 54 -14.760 -5.231 3.246 416 1HG LYS 54 1HG LYS 54 -16.665 -5.051 2.046 417 2HG LYS 54 2HG LYS 54 -17.240 -6.602 2.654 418 1HD LYS 54 1HD LYS 54 -17.335 -4.323 4.561 419 2HD LYS 54 2HD LYS 54 -18.482 -4.276 3.221 420 1HE LYS 54 1HE LYS 54 -18.425 -6.945 4.248 421 2HE LYS 54 2HE LYS 54 -18.633 -5.838 5.604 422 1HZ LYS 54 1HZ LYS 54 -20.211 -5.059 3.368 423 2HZ LYS 54 2HZ LYS 54 -20.571 -6.651 3.842 424 3HZ LYS 54 3HZ LYS 54 -20.693 -5.384 4.965 425 H GLN 55 H GLN 55 -15.042 -5.990 1.449 426 HA GLN 55 HA GLN 55 -16.291 -7.729 -0.358 427 1HB GLN 55 1HB GLN 55 -15.190 -5.307 -0.634 428 2HB GLN 55 2HB GLN 55 -13.872 -6.260 -1.318 429 1HG GLN 55 1HG GLN 55 -16.623 -6.949 -2.223 430 2HG GLN 55 2HG GLN 55 -15.960 -5.419 -2.798 431 1HE2 GLN 55 2HE2 GLN 55 -16.426 -7.806 -4.464 432 2HE2 GLN 55 1HE2 GLN 55 -14.911 -8.285 -5.061 433 H HIS 56 H HIS 56 -15.193 -9.055 -2.107 434 HA HIS 56 HA HIS 56 -13.656 -10.713 -2.789 435 1HB HIS 56 1HB HIS 56 -11.996 -8.949 -1.700 436 2HB HIS 56 2HB HIS 56 -11.888 -10.169 -0.431 437 HD1 HIS 56 HD1 HIS 56 -9.668 -11.257 -0.915 438 HD2 HIS 56 HD2 HIS 56 -12.026 -10.922 -4.337 439 HE1 HIS 56 HE1 HIS 56 -8.464 -12.532 -2.741 440 H GLY 57 H GLY 57 -12.058 -12.192 -0.678 441 1HA GLY 57 1HA GLY 57 -14.254 -13.950 0.172 442 2HA GLY 57 2HA GLY 57 -12.530 -14.270 0.376 443 H HIS 58 H HIS 58 -11.429 -13.274 2.173 444 HA HIS 58 HA HIS 58 -13.286 -12.291 4.306 445 1HB HIS 58 1HB HIS 58 -10.763 -13.951 4.595 446 2HB HIS 58 2HB HIS 58 -11.717 -13.319 5.936 447 HD1 HIS 58 HD1 HIS 58 -14.376 -14.099 5.831 448 HD2 HIS 58 HD2 HIS 58 -11.619 -16.438 3.751 449 HE1 HIS 58 HE1 HIS 58 -15.500 -16.330 5.410 450 H GLU 59 H GLU 59 -10.438 -11.720 2.457 451 HA GLU 59 HA GLU 59 -10.168 -9.038 3.494 452 1HB GLU 59 1HB GLU 59 -7.647 -9.640 4.167 453 2HB GLU 59 2HB GLU 59 -8.962 -9.724 5.339 454 1HG GLU 59 1HG GLU 59 -7.671 -11.782 5.470 455 2HG GLU 59 2HG GLU 59 -9.247 -12.147 4.767 456 H GLU 60 H GLU 60 -8.644 -7.812 2.216 457 HA GLU 60 HA GLU 60 -7.625 -9.311 -0.167 458 1HB GLU 60 1HB GLU 60 -9.460 -7.124 -0.031 459 2HB GLU 60 2HB GLU 60 -7.971 -6.541 -0.777 460 1HG GLU 60 1HG GLU 60 -9.532 -8.998 -1.628 461 2HG GLU 60 2HG GLU 60 -9.484 -7.457 -2.487 462 H PHE 61 H PHE 61 -5.699 -8.308 -1.183 463 HA PHE 61 HA PHE 61 -4.033 -6.859 0.839 464 1HB PHE 61 1HB PHE 61 -3.491 -9.210 -0.876 465 2HB PHE 61 2HB PHE 61 -2.202 -8.006 -0.830 466 HD1 PHE 61 HD1 PHE 61 -4.551 -9.798 1.487 467 HD2 PHE 61 HD2 PHE 61 -0.659 -8.085 0.902 468 HE1 PHE 61 HE1 PHE 61 -3.858 -10.611 3.725 469 HE2 PHE 61 HE2 PHE 61 0.037 -8.899 3.140 470 HZ PHE 61 HZ PHE 61 -1.564 -10.160 4.551 471 H ILE 62 H ILE 62 -2.883 -5.067 0.113 472 HA ILE 62 HA ILE 62 -2.795 -4.454 -2.771 473 HB ILE 62 HB ILE 62 -4.347 -2.817 -0.757 474 1HG1 ILE 62 1HG1 ILE 62 -5.741 -2.917 -3.121 475 2HG1 ILE 62 2HG1 ILE 62 -4.939 -4.487 -3.110 476 1HG2 ILE 62 1HG2 ILE 62 -3.311 -1.996 -3.486 477 2HG2 ILE 62 2HG2 ILE 62 -4.505 -1.093 -2.555 478 3HG2 ILE 62 3HG2 ILE 62 -2.864 -1.280 -1.938 479 1HD1 ILE 62 1HD1 ILE 62 -6.331 -3.479 -0.640 480 2HD1 ILE 62 2HD1 ILE 62 -7.252 -4.265 -1.922 481 3HD1 ILE 62 3HD1 ILE 62 -5.959 -5.141 -1.101 482 H TYR 63 H TYR 63 -1.485 -2.388 -3.109 483 HA TYR 63 HA TYR 63 0.061 -1.305 -0.937 484 1HB TYR 63 1HB TYR 63 1.419 -3.151 -0.724 485 2HB TYR 63 2HB TYR 63 1.089 -3.712 -2.357 486 HD1 TYR 63 HD1 TYR 63 2.181 -2.475 -4.305 487 HD2 TYR 63 HD2 TYR 63 3.401 -1.941 -0.224 488 HE1 TYR 63 HE1 TYR 63 4.339 -1.545 -5.079 489 HE2 TYR 63 HE2 TYR 63 5.559 -1.003 -0.994 490 HH TYR 63 HH TYR 63 6.982 -0.996 -2.922 491 H LEU 64 H LEU 64 0.774 0.652 -1.620 492 HA LEU 64 HA LEU 64 1.254 1.043 -4.542 493 1HB LEU 64 1HB LEU 64 -0.180 2.989 -2.707 494 2HB LEU 64 2HB LEU 64 0.123 3.207 -4.431 495 HG LEU 64 HG LEU 64 -1.337 0.754 -3.506 496 1HD1 LEU 64 1HD1 LEU 64 -2.330 3.569 -3.461 497 2HD1 LEU 64 2HD1 LEU 64 -3.416 2.334 -4.098 498 3HD1 LEU 64 3HD1 LEU 64 -2.795 2.198 -2.454 499 1HD2 LEU 64 1HD2 LEU 64 -0.598 1.936 -5.976 500 2HD2 LEU 64 2HD2 LEU 64 -1.598 0.504 -5.731 501 3HD2 LEU 64 3HD2 LEU 64 -2.350 2.095 -5.849 502 H SER 65 H SER 65 2.450 3.259 -4.834 503 HA SER 65 HA SER 65 4.151 3.952 -2.515 504 1HB SER 65 1HB SER 65 5.383 3.101 -5.148 505 2HB SER 65 2HB SER 65 6.232 3.534 -3.667 506 HG SER 65 HG SER 65 5.674 1.173 -4.300 507 H GLY 66 H GLY 66 2.206 5.541 -3.686 508 1HA GLY 66 1HA GLY 66 2.911 8.020 -3.987 509 2HA GLY 66 2HA GLY 66 3.737 7.421 -5.428 510 H GLY 67 H GLY 67 0.614 8.112 -4.001 511 1HA GLY 67 1HA GLY 67 -0.563 8.370 -6.663 512 2HA GLY 67 2HA GLY 67 -1.230 7.030 -5.729 513 H ILE 68 H ILE 68 -2.583 9.514 -6.571 514 HA ILE 68 HA ILE 68 -3.069 10.795 -3.919 515 HB ILE 68 HB ILE 68 -3.817 11.713 -6.713 516 1HG1 ILE 68 1HG1 ILE 68 -1.683 12.582 -4.740 517 2HG1 ILE 68 2HG1 ILE 68 -1.436 11.928 -6.361 518 1HG2 ILE 68 1HG2 ILE 68 -5.088 12.335 -4.347 519 2HG2 ILE 68 2HG2 ILE 68 -3.890 13.624 -4.477 520 3HG2 ILE 68 3HG2 ILE 68 -5.056 13.369 -5.776 521 1HD1 ILE 68 1HD1 ILE 68 -3.011 14.006 -7.001 522 2HD1 ILE 68 2HD1 ILE 68 -2.290 14.660 -5.530 523 3HD1 ILE 68 3HD1 ILE 68 -1.259 14.164 -6.873 524 H LEU 69 H LEU 69 -4.840 10.068 -2.854 525 HA LEU 69 HA LEU 69 -7.038 8.851 -4.465 526 1HB LEU 69 1HB LEU 69 -7.648 7.650 -2.407 527 2HB LEU 69 2HB LEU 69 -5.957 7.354 -2.811 528 HG LEU 69 HG LEU 69 -5.895 9.667 -1.244 529 1HD1 LEU 69 1HD1 LEU 69 -7.972 7.698 -0.285 530 2HD1 LEU 69 2HD1 LEU 69 -7.084 8.719 0.845 531 3HD1 LEU 69 3HD1 LEU 69 -8.095 9.454 -0.398 532 1HD2 LEU 69 1HD2 LEU 69 -5.097 6.835 -1.067 533 2HD2 LEU 69 2HD2 LEU 69 -4.172 8.289 -0.692 534 3HD2 LEU 69 3HD2 LEU 69 -5.290 7.623 0.499 535 H GLU 70 H GLU 70 -8.997 8.939 -2.438 536 HA GLU 70 HA GLU 70 -9.396 11.518 -1.279 537 1HB GLU 70 1HB GLU 70 -11.106 12.398 -2.855 538 2HB GLU 70 2HB GLU 70 -9.515 12.294 -3.611 539 1HG GLU 70 1HG GLU 70 -10.602 11.166 -5.257 540 2HG GLU 70 2HG GLU 70 -10.539 9.804 -4.139 541 H VAL 71 H VAL 71 -10.851 11.058 0.315 542 HA VAL 71 HA VAL 71 -12.628 8.705 -0.073 543 HB VAL 71 HB VAL 71 -11.151 8.806 1.937 544 1HG1 VAL 71 1HG1 VAL 71 -11.755 11.445 2.014 545 2HG1 VAL 71 2HG1 VAL 71 -12.909 10.837 3.201 546 3HG1 VAL 71 3HG1 VAL 71 -11.183 10.548 3.420 547 1HG2 VAL 71 1HG2 VAL 71 -14.112 8.592 1.999 548 2HG2 VAL 71 2HG2 VAL 71 -12.890 7.417 2.482 549 3HG2 VAL 71 3HG2 VAL 71 -13.322 8.736 3.570 550 H GLN 72 H GLN 72 -14.835 8.869 -0.032 551 HA GLN 72 HA GLN 72 -15.998 11.597 0.365 552 1HB GLN 72 1HB GLN 72 -16.155 9.809 -1.905 553 2HB GLN 72 2HB GLN 72 -17.764 10.064 -1.227 554 1HG GLN 72 1HG GLN 72 -17.836 12.197 -1.968 555 2HG GLN 72 2HG GLN 72 -16.223 12.540 -1.343 556 1HE2 GLN 72 2HE2 GLN 72 -17.546 10.415 -3.956 557 2HE2 GLN 72 1HE2 GLN 72 -16.431 10.926 -5.130 558 HA PRO 73 HA PRO 73 -18.835 9.746 3.163 559 1HB PRO 73 1HB PRO 73 -21.238 10.885 2.466 560 2HB PRO 73 2HB PRO 73 -19.940 11.763 3.294 561 1HG PRO 73 1HG PRO 73 -20.809 11.946 0.450 562 2HG PRO 73 2HG PRO 73 -19.994 13.157 1.454 563 1HD PRO 73 1HD PRO 73 -18.768 11.516 -0.509 564 2HD PRO 73 2HD PRO 73 -17.928 12.510 0.700 565 H GLY 74 H GLY 74 -18.648 7.539 2.215 566 1HA GLY 74 1HA GLY 74 -20.612 5.864 1.987 567 2HA GLY 74 2HA GLY 74 -20.983 6.767 0.521 568 H ASN 75 H ASN 75 -18.217 7.189 -0.276 569 HA ASN 75 HA ASN 75 -17.045 4.506 -0.526 570 1HB ASN 75 1HB ASN 75 -17.053 4.739 -3.085 571 2HB ASN 75 2HB ASN 75 -18.581 4.284 -2.330 572 1HD2 ASN 75 2HD2 ASN 75 -20.278 5.421 -3.260 573 2HD2 ASN 75 1HD2 ASN 75 -20.210 7.038 -3.769 574 H VAL 76 H VAL 76 -14.890 4.586 -1.428 575 HA VAL 76 HA VAL 76 -13.780 7.330 -1.810 576 HB VAL 76 HB VAL 76 -13.127 6.865 0.420 577 1HG1 VAL 76 1HG1 VAL 76 -13.888 4.464 0.297 578 2HG1 VAL 76 2HG1 VAL 76 -12.336 4.072 -0.444 579 3HG1 VAL 76 3HG1 VAL 76 -12.394 4.704 1.201 580 1HG2 VAL 76 1HG2 VAL 76 -11.211 7.468 -1.074 581 2HG2 VAL 76 2HG2 VAL 76 -10.716 6.485 0.302 582 3HG2 VAL 76 3HG2 VAL 76 -10.881 5.751 -1.293 583 H THR 77 H THR 77 -11.569 7.192 -2.888 584 HA THR 77 HA THR 77 -11.023 4.679 -4.311 585 HB THR 77 HB THR 77 -11.785 7.209 -5.796 586 HG1 THR 77 HG1 THR 77 -13.663 6.312 -5.788 587 1HG2 THR 77 1HG2 THR 77 -9.893 5.437 -6.589 588 2HG2 THR 77 2HG2 THR 77 -11.339 4.648 -7.217 589 3HG2 THR 77 3HG2 THR 77 -10.947 6.294 -7.713 590 H VAL 78 H VAL 78 -8.877 4.595 -5.073 591 HA VAL 78 HA VAL 78 -7.227 7.014 -4.480 592 HB VAL 78 HB VAL 78 -5.512 5.653 -3.572 593 1HG1 VAL 78 1HG1 VAL 78 -7.858 5.793 -2.336 594 2HG1 VAL 78 2HG1 VAL 78 -7.857 4.051 -2.615 595 3HG1 VAL 78 3HG1 VAL 78 -6.557 4.796 -1.685 596 1HG2 VAL 78 1HG2 VAL 78 -6.734 3.630 -5.303 597 2HG2 VAL 78 2HG2 VAL 78 -5.078 3.738 -4.708 598 3HG2 VAL 78 3HG2 VAL 78 -6.327 2.993 -3.710 599 H LEU 79 H LEU 79 -5.514 7.438 -5.953 600 HA LEU 79 HA LEU 79 -5.597 5.796 -8.456 601 1HB LEU 79 1HB LEU 79 -5.207 8.787 -8.137 602 2HB LEU 79 2HB LEU 79 -5.009 7.916 -9.657 603 HG LEU 79 HG LEU 79 -7.509 7.135 -8.522 604 1HD1 LEU 79 1HD1 LEU 79 -7.010 9.503 -7.416 605 2HD1 LEU 79 2HD1 LEU 79 -7.533 10.089 -8.996 606 3HD1 LEU 79 3HD1 LEU 79 -8.619 9.105 -8.017 607 1HD2 LEU 79 1HD2 LEU 79 -6.516 8.598 -10.949 608 2HD2 LEU 79 2HD2 LEU 79 -7.336 7.039 -10.846 609 3HD2 LEU 79 3HD2 LEU 79 -8.251 8.534 -10.637 610 H ALA 80 H ALA 80 -3.711 4.679 -8.597 611 HA ALA 80 HA ALA 80 -1.182 6.153 -8.033 612 1HB ALA 80 1HB ALA 80 -2.140 4.317 -6.258 613 2HB ALA 80 2HB ALA 80 -1.177 3.282 -7.315 614 3HB ALA 80 3HB ALA 80 -0.424 4.650 -6.495 615 H ASP 81 H ASP 81 0.731 4.775 -8.934 616 HA ASP 81 HA ASP 81 -0.164 3.521 -11.501 617 1HB ASP 81 1HB ASP 81 2.322 5.162 -10.921 618 2HB ASP 81 2HB ASP 81 2.006 4.329 -12.443 619 H THR 82 H THR 82 1.711 3.194 -8.617 620 HA THR 82 HA THR 82 2.931 0.689 -9.701 621 HB THR 82 HB THR 82 3.800 2.519 -7.447 622 HG1 THR 82 HG1 THR 82 5.750 2.360 -8.861 623 1HG2 THR 82 1HG2 THR 82 4.060 0.118 -6.840 624 2HG2 THR 82 2HG2 THR 82 5.007 -0.123 -8.307 625 3HG2 THR 82 3HG2 THR 82 5.610 0.937 -7.034 626 H ALA 83 H ALA 83 1.635 -0.994 -9.122 627 HA ALA 83 HA ALA 83 0.715 -1.098 -6.279 628 1HB ALA 83 1HB ALA 83 -0.822 -1.565 -8.814 629 2HB ALA 83 2HB ALA 83 -1.245 -2.489 -7.374 630 3HB ALA 83 3HB ALA 83 -1.324 -0.728 -7.346 631 H ILE 84 H ILE 84 0.795 -3.174 -5.329 632 HA ILE 84 HA ILE 84 1.830 -5.390 -7.016 633 HB ILE 84 HB ILE 84 3.084 -4.289 -4.496 634 1HG1 ILE 84 1HG1 ILE 84 4.320 -5.107 -7.138 635 2HG1 ILE 84 2HG1 ILE 84 3.771 -3.465 -6.797 636 1HG2 ILE 84 1HG2 ILE 84 3.132 -7.054 -5.642 637 2HG2 ILE 84 2HG2 ILE 84 4.608 -6.409 -4.923 638 3HG2 ILE 84 3HG2 ILE 84 3.140 -6.540 -3.955 639 1HD1 ILE 84 1HD1 ILE 84 5.445 -4.560 -4.661 640 2HD1 ILE 84 2HD1 ILE 84 6.286 -4.474 -6.208 641 3HD1 ILE 84 3HD1 ILE 84 5.576 -3.020 -5.511 642 H ARG 85 H ARG 85 -0.332 -6.273 -6.755 643 HA ARG 85 HA ARG 85 -1.852 -6.601 -4.479 644 1HB ARG 85 1HB ARG 85 -2.534 -7.514 -6.656 645 2HB ARG 85 2HB ARG 85 -1.276 -8.746 -6.548 646 1HG ARG 85 1HG ARG 85 -2.389 -9.943 -4.910 647 2HG ARG 85 2HG ARG 85 -3.215 -8.515 -4.283 648 1HD ARG 85 1HD ARG 85 -4.772 -8.501 -6.093 649 2HD ARG 85 2HD ARG 85 -3.823 -9.670 -7.012 650 HE ARG 85 HE ARG 85 -4.761 -10.669 -4.422 651 1HH1 ARG 85 1HH1 ARG 85 -4.244 -12.305 -6.919 652 2HH1 ARG 85 2HH1 ARG 85 -5.857 -12.713 -7.402 653 1HH2 ARG 85 1HH2 ARG 85 -7.348 -10.306 -5.401 654 2HH2 ARG 85 2HH2 ARG 85 -7.615 -11.583 -6.540 655 H GLY 86 H GLY 86 -1.960 -8.234 -2.805 656 1HA GLY 86 1HA GLY 86 0.459 -8.789 -1.485 657 2HA GLY 86 2HA GLY 86 -1.036 -9.680 -1.200 658 H GLN 87 H GLN 87 2.110 -9.882 -2.466 659 HA GLN 87 HA GLN 87 3.267 -11.666 -3.460 660 1HB GLN 87 1HB GLN 87 1.228 -12.820 -1.852 661 2HB GLN 87 2HB GLN 87 1.251 -13.714 -3.371 662 1HG GLN 87 1HG GLN 87 3.957 -13.227 -2.607 663 2HG GLN 87 2HG GLN 87 3.107 -13.876 -1.204 664 1HE2 GLN 87 2HE2 GLN 87 4.874 -14.897 -3.804 665 2HE2 GLN 87 1HE2 GLN 87 4.176 -16.425 -4.049 666 H ASP 88 H ASP 88 2.952 -10.455 -5.507 667 HA ASP 88 HA ASP 88 0.786 -11.452 -7.264 668 1HB ASP 88 1HB ASP 88 1.463 -9.003 -7.167 669 2HB ASP 88 2HB ASP 88 2.971 -9.471 -7.952 670 H LEU 89 H LEU 89 4.291 -11.613 -6.898 671 HA LEU 89 HA LEU 89 4.380 -14.038 -8.511 672 1HB LEU 89 1HB LEU 89 4.602 -11.663 -9.928 673 2HB LEU 89 2HB LEU 89 6.282 -12.121 -9.648 674 HG LEU 89 HG LEU 89 5.644 -14.455 -10.455 675 1HD1 LEU 89 1HD1 LEU 89 3.123 -12.918 -11.027 676 2HD1 LEU 89 2HD1 LEU 89 3.591 -14.260 -12.070 677 3HD1 LEU 89 3HD1 LEU 89 3.305 -14.537 -10.351 678 1HD2 LEU 89 1HD2 LEU 89 6.782 -12.579 -11.808 679 2HD2 LEU 89 2HD2 LEU 89 6.018 -13.874 -12.730 680 3HD2 LEU 89 3HD2 LEU 89 5.202 -12.321 -12.549 681 H ASP 90 H ASP 90 6.034 -15.282 -7.727 682 HA ASP 90 HA ASP 90 7.858 -15.881 -6.372 683 1HB ASP 90 1HB ASP 90 8.670 -13.560 -7.985 684 2HB ASP 90 2HB ASP 90 9.613 -13.754 -6.507 685 H GLU 91 H GLU 91 9.392 -14.768 -4.556 686 HA GLU 91 HA GLU 91 8.225 -12.588 -3.064 687 1HB GLU 91 1HB GLU 91 7.519 -13.988 -1.089 688 2HB GLU 91 2HB GLU 91 6.491 -14.185 -2.509 689 1HG GLU 91 1HG GLU 91 7.632 -16.245 -3.113 690 2HG GLU 91 2HG GLU 91 8.798 -16.021 -1.808 691 H ALA 92 H ALA 92 10.201 -15.540 -2.952 692 HA ALA 92 HA ALA 92 11.847 -14.578 -0.755 693 1HB ALA 92 1HB ALA 92 11.684 -16.967 -2.441 694 2HB ALA 92 2HB ALA 92 13.348 -16.491 -2.098 695 3HB ALA 92 3HB ALA 92 12.230 -16.810 -0.772 696 H ARG 93 H ARG 93 11.893 -14.286 -4.238 697 HA ARG 93 HA ARG 93 14.662 -13.305 -4.293 698 1HB ARG 93 1HB ARG 93 12.544 -13.227 -6.463 699 2HB ARG 93 2HB ARG 93 14.278 -12.981 -6.680 700 1HG ARG 93 1HG ARG 93 13.262 -15.516 -5.416 701 2HG ARG 93 2HG ARG 93 13.271 -15.345 -7.171 702 1HD ARG 93 1HD ARG 93 15.780 -14.418 -6.440 703 2HD ARG 93 2HD ARG 93 15.512 -15.766 -5.333 704 HE ARG 93 HE ARG 93 14.894 -17.036 -7.548 705 1HH1 ARG 93 1HH1 ARG 93 16.171 -14.231 -8.570 706 2HH1 ARG 93 2HH1 ARG 93 17.622 -14.877 -9.261 707 1HH2 ARG 93 1HH2 ARG 93 17.219 -18.011 -7.832 708 2HH2 ARG 93 2HH2 ARG 93 18.215 -17.019 -8.844 709 H ALA 94 H ALA 94 12.015 -11.983 -3.030 710 HA ALA 94 HA ALA 94 12.228 -9.314 -4.282 711 1HB ALA 94 1HB ALA 94 10.056 -10.502 -3.378 712 2HB ALA 94 2HB ALA 94 10.607 -9.889 -1.819 713 3HB ALA 94 3HB ALA 94 10.267 -8.768 -3.137 714 H MET 95 H MET 95 13.676 -11.070 -1.766 715 HA MET 95 HA MET 95 14.173 -8.833 0.033 716 1HB MET 95 1HB MET 95 14.667 -11.690 -0.024 717 2HB MET 95 2HB MET 95 16.115 -10.817 0.480 718 1HG MET 95 1HG MET 95 13.837 -9.626 1.754 719 2HG MET 95 2HG MET 95 13.789 -11.368 2.023 720 1HE MET 95 1HE MET 95 15.364 -8.206 2.055 721 2HE MET 95 2HE MET 95 16.066 -8.100 3.677 722 3HE MET 95 3HE MET 95 17.081 -8.519 2.299 723 H GLU 96 H GLU 96 15.729 -10.217 -2.776 724 HA GLU 96 HA GLU 96 18.290 -8.899 -2.325 725 1HB GLU 96 1HB GLU 96 17.061 -10.213 -4.765 726 2HB GLU 96 2HB GLU 96 18.696 -9.551 -4.732 727 1HG GLU 96 1HG GLU 96 19.427 -11.121 -3.122 728 2HG GLU 96 2HG GLU 96 17.777 -11.556 -2.672 729 H ALA 97 H ALA 97 15.233 -8.012 -3.704 730 HA ALA 97 HA ALA 97 16.027 -5.969 -5.504 731 1HB ALA 97 1HB ALA 97 13.621 -6.945 -4.582 732 2HB ALA 97 2HB ALA 97 13.657 -5.326 -3.883 733 3HB ALA 97 3HB ALA 97 13.801 -5.537 -5.628 734 H LYS 98 H LYS 98 15.673 -5.947 -1.983 735 HA LYS 98 HA LYS 98 16.185 -3.075 -1.779 736 1HB LYS 98 1HB LYS 98 14.840 -4.107 -0.051 737 2HB LYS 98 2HB LYS 98 16.099 -5.296 0.282 738 1HG LYS 98 1HG LYS 98 17.570 -3.624 1.168 739 2HG LYS 98 2HG LYS 98 16.541 -2.317 0.581 740 1HD LYS 98 1HD LYS 98 15.001 -2.582 2.272 741 2HD LYS 98 2HD LYS 98 15.295 -4.316 2.409 742 1HE LYS 98 1HE LYS 98 16.290 -3.528 4.365 743 2HE LYS 98 2HE LYS 98 17.665 -3.558 3.261 744 1HZ LYS 98 1HZ LYS 98 15.965 -1.176 3.757 745 2HZ LYS 98 2HZ LYS 98 17.458 -1.459 4.509 746 3HZ LYS 98 3HZ LYS 98 17.384 -1.236 2.826 747 H ARG 99 H ARG 99 18.080 -5.979 -1.922 748 HA ARG 99 HA ARG 99 20.449 -4.964 -0.624 749 1HB ARG 99 1HB ARG 99 20.034 -7.386 -1.034 750 2HB ARG 99 2HB ARG 99 20.227 -7.102 -2.765 751 1HG ARG 99 1HG ARG 99 22.518 -6.377 -2.451 752 2HG ARG 99 2HG ARG 99 22.344 -6.448 -0.697 753 1HD ARG 99 1HD ARG 99 22.475 -8.741 -0.638 754 2HD ARG 99 2HD ARG 99 21.710 -8.931 -2.214 755 HE ARG 99 HE ARG 99 23.915 -9.162 -3.000 756 1HH1 ARG 99 1HH1 ARG 99 24.033 -7.492 -0.044 757 2HH1 ARG 99 2HH1 ARG 99 25.542 -6.708 -0.368 758 1HH2 ARG 99 1HH2 ARG 99 25.742 -7.846 -3.636 759 2HH2 ARG 99 2HH2 ARG 99 26.508 -6.908 -2.398 760 H LYS 100 H LYS 100 19.513 -5.226 -4.069 761 HA LYS 100 HA LYS 100 21.866 -3.654 -4.869 762 1HB LYS 100 1HB LYS 100 19.605 -5.008 -6.314 763 2HB LYS 100 2HB LYS 100 20.574 -3.797 -7.153 764 1HG LYS 100 1HG LYS 100 22.629 -5.098 -6.376 765 2HG LYS 100 2HG LYS 100 21.519 -6.385 -5.903 766 1HD LYS 100 1HD LYS 100 21.376 -7.093 -8.033 767 2HD LYS 100 2HD LYS 100 20.860 -5.491 -8.559 768 1HE LYS 100 1HE LYS 100 22.850 -5.207 -9.564 769 2HE LYS 100 2HE LYS 100 23.636 -5.315 -7.989 770 1HZ LYS 100 1HZ LYS 100 23.025 -7.897 -8.612 771 2HZ LYS 100 2HZ LYS 100 23.524 -7.241 -10.099 772 3HZ LYS 100 3HZ LYS 100 24.553 -7.174 -8.749 773 H ALA 101 H ALA 101 19.181 -2.751 -3.339 774 HA ALA 101 HA ALA 101 18.368 -0.515 -5.065 775 1HB ALA 101 1HB ALA 101 16.785 -1.748 -3.514 776 2HB ALA 101 2HB ALA 101 17.634 -0.996 -2.163 777 3HB ALA 101 3HB ALA 101 16.775 0.006 -3.333 778 H GLU 102 H GLU 102 20.601 -1.120 -2.472 779 HA GLU 102 HA GLU 102 20.916 1.616 -1.603 780 1HB GLU 102 1HB GLU 102 21.690 -0.188 -0.174 781 2HB GLU 102 2HB GLU 102 22.770 -0.778 -1.438 782 1HG GLU 102 1HG GLU 102 23.865 1.548 -1.359 783 2HG GLU 102 2HG GLU 102 22.983 1.784 0.151 784 H GLU 103 H GLU 103 22.098 -0.228 -4.303 785 HA GLU 103 HA GLU 103 24.433 1.235 -4.965 786 1HB GLU 103 1HB GLU 103 23.472 -0.885 -6.080 787 2HB GLU 103 2HB GLU 103 22.474 0.220 -7.028 788 1HG GLU 103 1HG GLU 103 24.967 1.374 -7.231 789 2HG GLU 103 2HG GLU 103 25.352 -0.348 -7.235 790 H HIS 104 H HIS 104 21.039 1.817 -5.915 791 HA HIS 104 HA HIS 104 21.565 4.161 -7.461 792 1HB HIS 104 1HB HIS 104 19.226 2.788 -6.364 793 2HB HIS 104 2HB HIS 104 19.034 4.542 -6.384 794 HD1 HIS 104 HD1 HIS 104 18.980 1.593 -8.562 795 HD2 HIS 104 HD2 HIS 104 19.505 5.698 -9.070 796 HE1 HIS 104 HE1 HIS 104 18.656 2.056 -11.031 797 H ILE 105 H ILE 105 21.102 3.657 -4.000 798 HA ILE 105 HA ILE 105 21.016 6.541 -3.452 799 HB ILE 105 HB ILE 105 21.433 4.329 -1.434 800 1HG1 ILE 105 1HG1 ILE 105 18.818 5.336 -2.604 801 2HG1 ILE 105 2HG1 ILE 105 19.506 3.732 -2.862 802 1HG2 ILE 105 1HG2 ILE 105 20.230 7.106 -1.368 803 2HG2 ILE 105 2HG2 ILE 105 20.114 5.962 -0.031 804 3HG2 ILE 105 3HG2 ILE 105 21.692 6.558 -0.549 805 1HD1 ILE 105 1HD1 ILE 105 19.069 4.714 -0.058 806 2HD1 ILE 105 2HD1 ILE 105 17.703 4.082 -0.978 807 3HD1 ILE 105 3HD1 ILE 105 19.104 3.059 -0.664 808 H SER 106 H SER 106 23.418 4.223 -4.049 809 HA SER 106 HA SER 106 25.515 4.830 -2.316 810 1HB SER 106 1HB SER 106 25.660 4.375 -5.310 811 2HB SER 106 2HB SER 106 27.038 4.305 -4.216 812 HG SER 106 HG SER 106 26.449 2.354 -3.754 813 H SER 107 H SER 107 25.517 7.025 -1.692 814 HA SER 107 HA SER 107 26.999 8.807 -3.446 815 1HB SER 107 1HB SER 107 25.139 9.634 -4.480 816 2HB SER 107 2HB SER 107 24.056 9.032 -3.226 817 HG SER 107 HG SER 107 24.370 11.398 -3.398 818 H SER 108 H SER 108 25.033 8.421 -0.520 819 HA SER 108 HA SER 108 25.268 9.390 1.611 820 1HB SER 108 1HB SER 108 28.168 9.134 0.766 821 2HB SER 108 2HB SER 108 27.632 9.454 2.413 822 HG SER 108 HG SER 108 26.233 7.442 1.809 823 H HIS 109 H HIS 109 24.340 11.405 0.410 824 HA HIS 109 HA HIS 109 26.363 13.596 0.335 825 1HB HIS 109 1HB HIS 109 24.087 12.961 -1.282 826 2HB HIS 109 2HB HIS 109 23.780 14.502 -0.481 827 HD1 HIS 109 HD1 HIS 109 24.426 16.284 -2.108 828 HD2 HIS 109 HD2 HIS 109 27.210 13.181 -2.040 829 HE1 HIS 109 HE1 HIS 109 26.318 16.986 -3.638 830 H GLY 110 H GLY 110 22.904 13.385 1.246 831 1HA GLY 110 1HA GLY 110 22.454 13.688 3.737 832 2HA GLY 110 2HA GLY 110 23.585 15.037 3.645 833 H ASP 111 H ASP 111 22.815 16.283 1.298 834 HA ASP 111 HA ASP 111 20.755 17.992 1.991 835 1HB ASP 111 1HB ASP 111 22.074 17.230 -0.490 836 2HB ASP 111 2HB ASP 111 20.381 17.640 -0.765 837 H VAL 112 H VAL 112 20.059 15.613 -0.552 838 HA VAL 112 HA VAL 112 17.669 14.702 0.950 839 HB VAL 112 HB VAL 112 16.195 15.103 -0.971 840 1HG1 VAL 112 1HG1 VAL 112 17.785 17.570 -0.199 841 2HG1 VAL 112 2HG1 VAL 112 16.166 17.574 -0.900 842 3HG1 VAL 112 3HG1 VAL 112 16.430 16.897 0.707 843 1HG2 VAL 112 1HG2 VAL 112 18.750 16.156 -2.206 844 2HG2 VAL 112 2HG2 VAL 112 17.689 14.889 -2.823 845 3HG2 VAL 112 3HG2 VAL 112 17.156 16.571 -2.839 846 H ASP 113 H ASP 113 20.156 13.460 0.319 847 HA ASP 113 HA ASP 113 19.610 11.612 -1.914 848 1HB ASP 113 1HB ASP 113 21.882 12.422 -1.658 849 2HB ASP 113 2HB ASP 113 21.912 11.907 0.032 850 H TYR 114 H TYR 114 21.214 10.416 0.944 851 HA TYR 114 HA TYR 114 19.538 8.112 1.143 852 1HB TYR 114 1HB TYR 114 21.676 9.366 2.778 853 2HB TYR 114 2HB TYR 114 20.548 8.345 3.669 854 HD1 TYR 114 HD1 TYR 114 20.012 6.011 2.597 855 HD2 TYR 114 HD2 TYR 114 23.463 8.380 1.632 856 HE1 TYR 114 HE1 TYR 114 21.162 3.987 1.736 857 HE2 TYR 114 HE2 TYR 114 24.611 6.357 0.772 858 HH TYR 114 HH TYR 114 23.230 3.708 -0.140 859 H ALA 115 H ALA 115 19.185 11.357 2.162 860 HA ALA 115 HA ALA 115 17.350 10.986 4.347 861 1HB ALA 115 1HB ALA 115 18.503 13.165 2.812 862 2HB ALA 115 2HB ALA 115 16.781 13.439 3.095 863 3HB ALA 115 3HB ALA 115 17.867 13.181 4.462 864 H GLN 116 H GLN 116 16.820 11.909 0.924 865 HA GLN 116 HA GLN 116 13.936 11.357 1.211 866 1HB GLN 116 1HB GLN 116 15.626 12.315 -1.120 867 2HB GLN 116 2HB GLN 116 13.880 12.069 -1.208 868 1HG GLN 116 1HG GLN 116 15.389 14.045 0.516 869 2HG GLN 116 2HG GLN 116 14.179 14.389 -0.720 870 1HE2 GLN 116 2HE2 GLN 116 14.633 13.698 2.642 871 2HE2 GLN 116 1HE2 GLN 116 12.992 13.585 3.060 872 H ALA 117 H ALA 117 16.609 9.477 0.722 873 HA ALA 117 HA ALA 117 15.409 7.727 -1.334 874 1HB ALA 117 1HB ALA 117 18.065 7.967 -0.006 875 2HB ALA 117 2HB ALA 117 17.589 6.361 -0.558 876 3HB ALA 117 3HB ALA 117 17.679 7.698 -1.705 877 H SER 118 H SER 118 15.773 7.918 2.130 878 HA SER 118 HA SER 118 15.353 5.156 2.755 879 1HB SER 118 1HB SER 118 15.323 5.861 4.928 880 2HB SER 118 2HB SER 118 15.899 7.373 4.230 881 HG SER 118 HG SER 118 14.104 7.786 5.511 882 H ALA 119 H ALA 119 13.225 7.579 1.537 883 HA ALA 119 HA ALA 119 10.803 6.170 2.473 884 1HB ALA 119 1HB ALA 119 11.402 8.770 1.164 885 2HB ALA 119 2HB ALA 119 9.846 8.036 0.777 886 3HB ALA 119 3HB ALA 119 10.259 8.396 2.453 887 H GLU 120 H GLU 120 11.756 7.353 -0.771 888 HA GLU 120 HA GLU 120 10.098 5.591 -2.217 889 1HB GLU 120 1HB GLU 120 11.371 6.177 -4.148 890 2HB GLU 120 2HB GLU 120 11.425 7.591 -3.096 891 1HG GLU 120 1HG GLU 120 13.623 6.826 -2.218 892 2HG GLU 120 2HG GLU 120 13.576 5.469 -3.345 893 H LEU 121 H LEU 121 13.494 5.128 -1.216 894 HA LEU 121 HA LEU 121 13.836 2.588 -2.470 895 1HB LEU 121 1HB LEU 121 15.547 4.208 -1.254 896 2HB LEU 121 2HB LEU 121 15.188 3.183 0.135 897 HG LEU 121 HG LEU 121 17.108 2.262 -1.050 898 1HD1 LEU 121 1HD1 LEU 121 15.149 0.786 -0.163 899 2HD1 LEU 121 2HD1 LEU 121 14.791 0.519 -1.868 900 3HD1 LEU 121 3HD1 LEU 121 16.355 0.040 -1.211 901 1HD2 LEU 121 1HD2 LEU 121 16.032 3.330 -3.290 902 2HD2 LEU 121 2HD2 LEU 121 17.232 2.039 -3.333 903 3HD2 LEU 121 3HD2 LEU 121 15.518 1.655 -3.492 904 H ALA 122 H ALA 122 13.258 3.238 1.010 905 HA ALA 122 HA ALA 122 12.700 0.538 1.698 906 1HB ALA 122 1HB ALA 122 11.730 3.121 2.952 907 2HB ALA 122 2HB ALA 122 11.534 1.530 3.689 908 3HB ALA 122 3HB ALA 122 13.149 2.187 3.421 909 H LYS 123 H LYS 123 10.849 2.753 -0.133 910 HA LYS 123 HA LYS 123 8.205 1.866 0.550 911 1HB LYS 123 1HB LYS 123 9.309 3.764 -1.175 912 2HB LYS 123 2HB LYS 123 8.508 2.619 -2.251 913 1HG LYS 123 1HG LYS 123 6.933 4.373 -1.560 914 2HG LYS 123 2HG LYS 123 6.439 2.815 -0.898 915 1HD LYS 123 1HD LYS 123 6.473 3.733 1.155 916 2HD LYS 123 2HD LYS 123 8.218 3.930 0.990 917 1HE LYS 123 1HE LYS 123 7.627 6.076 -0.351 918 2HE LYS 123 2HE LYS 123 6.037 5.922 0.396 919 1HZ LYS 123 1HZ LYS 123 8.623 6.047 1.853 920 2HZ LYS 123 2HZ LYS 123 7.513 7.324 1.707 921 3HZ LYS 123 3HZ LYS 123 7.085 5.924 2.564 922 H ALA 124 H ALA 124 10.647 0.642 -1.693 923 HA ALA 124 HA ALA 124 8.890 -1.215 -3.036 924 1HB ALA 124 1HB ALA 124 11.291 -0.356 -3.690 925 2HB ALA 124 2HB ALA 124 11.832 -1.723 -2.716 926 3HB ALA 124 3HB ALA 124 10.803 -1.996 -4.121 927 H ILE 125 H ILE 125 10.832 -1.356 -0.101 928 HA ILE 125 HA ILE 125 10.507 -4.233 0.231 929 HB ILE 125 HB ILE 125 11.383 -2.059 2.154 930 1HG1 ILE 125 1HG1 ILE 125 13.516 -3.717 1.676 931 2HG1 ILE 125 2HG1 ILE 125 12.701 -3.736 0.112 932 1HG2 ILE 125 1HG2 ILE 125 10.890 -4.975 2.485 933 2HG2 ILE 125 2HG2 ILE 125 12.373 -4.343 3.199 934 3HG2 ILE 125 3HG2 ILE 125 10.811 -3.679 3.679 935 1HD1 ILE 125 1HD1 ILE 125 13.403 -1.207 1.627 936 2HD1 ILE 125 2HD1 ILE 125 14.389 -1.891 0.335 937 3HD1 ILE 125 3HD1 ILE 125 12.759 -1.313 -0.012 938 H ALA 126 H ALA 126 8.334 -1.737 0.443 939 HA ALA 126 HA ALA 126 6.935 -2.506 2.873 940 1HB ALA 126 1HB ALA 126 6.461 -0.644 0.595 941 2HB ALA 126 2HB ALA 126 5.039 -1.200 1.477 942 3HB ALA 126 3HB ALA 126 6.330 -0.354 2.329 943 H GLN 127 H GLN 127 7.053 -3.667 -0.376 944 HA GLN 127 HA GLN 127 4.459 -5.056 -0.191 945 1HB GLN 127 1HB GLN 127 5.118 -5.975 -2.427 946 2HB GLN 127 2HB GLN 127 5.130 -4.212 -2.377 947 1HG GLN 127 1HG GLN 127 7.332 -4.146 -2.851 948 2HG GLN 127 2HG GLN 127 7.699 -5.276 -1.547 949 1HE2 GLN 127 2HE2 GLN 127 8.527 -5.095 -4.568 950 2HE2 GLN 127 1HE2 GLN 127 8.274 -6.678 -5.127 951 H LEU 128 H LEU 128 7.827 -5.670 0.400 952 HA LEU 128 HA LEU 128 7.683 -8.561 0.279 953 1HB LEU 128 1HB LEU 128 9.857 -7.617 0.081 954 2HB LEU 128 2HB LEU 128 9.634 -6.606 1.508 955 HG LEU 128 HG LEU 128 9.431 -9.573 1.835 956 1HD1 LEU 128 1HD1 LEU 128 11.636 -8.489 0.549 957 2HD1 LEU 128 2HD1 LEU 128 12.135 -8.521 2.239 958 3HD1 LEU 128 3HD1 LEU 128 11.619 -10.009 1.445 959 1HD2 LEU 128 1HD2 LEU 128 9.683 -7.189 3.463 960 2HD2 LEU 128 2HD2 LEU 128 9.311 -8.837 3.966 961 3HD2 LEU 128 3HD2 LEU 128 10.989 -8.317 3.825 962 H ARG 129 H ARG 129 6.414 -6.301 2.450 963 HA ARG 129 HA ARG 129 6.679 -7.991 4.841 964 1HB ARG 129 1HB ARG 129 5.310 -5.371 4.243 965 2HB ARG 129 2HB ARG 129 5.014 -6.228 5.756 966 1HG ARG 129 1HG ARG 129 7.838 -5.743 4.848 967 2HG ARG 129 2HG ARG 129 6.942 -4.453 5.652 968 1HD ARG 129 1HD ARG 129 6.374 -6.318 7.410 969 2HD ARG 129 2HD ARG 129 7.790 -7.126 6.735 970 HE ARG 129 HE ARG 129 9.138 -5.518 7.811 971 1HH1 ARG 129 1HH2 ARG 129 6.707 -5.167 9.659 972 2HH1 ARG 129 2HH2 ARG 129 6.570 -3.441 9.686 973 1HH2 ARG 129 1HH1 ARG 129 8.618 -2.971 6.927 974 2HH2 ARG 129 2HH1 ARG 129 7.653 -2.197 8.140 975 H VAL 130 H VAL 130 4.233 -7.253 2.394 976 HA VAL 130 HA VAL 130 2.015 -8.478 3.716 977 HB VAL 130 HB VAL 130 1.014 -8.643 1.467 978 1HG1 VAL 130 1HG1 VAL 130 1.829 -6.332 2.788 979 2HG1 VAL 130 2HG1 VAL 130 2.326 -6.057 1.120 980 3HG1 VAL 130 3HG1 VAL 130 0.639 -6.415 1.491 981 1HG2 VAL 130 1HG2 VAL 130 3.635 -9.021 0.638 982 2HG2 VAL 130 2HG2 VAL 130 2.253 -8.744 -0.425 983 3HG2 VAL 130 3HG2 VAL 130 3.266 -7.390 0.074 984 H ILE 131 H ILE 131 4.732 -9.816 1.960 985 HA ILE 131 HA ILE 131 3.649 -12.401 1.400 986 HB ILE 131 HB ILE 131 6.500 -11.550 1.994 987 1HG1 ILE 131 1HG1 ILE 131 5.187 -12.199 -0.660 988 2HG1 ILE 131 2HG1 ILE 131 5.281 -10.558 -0.018 989 1HG2 ILE 131 1HG2 ILE 131 5.403 -14.154 1.869 990 2HG2 ILE 131 2HG2 ILE 131 6.229 -13.895 0.333 991 3HG2 ILE 131 3HG2 ILE 131 7.110 -13.711 1.850 992 1HD1 ILE 131 1HD1 ILE 131 7.865 -11.835 0.168 993 2HD1 ILE 131 2HD1 ILE 131 7.266 -11.926 -1.488 994 3HD1 ILE 131 3HD1 ILE 131 7.419 -10.361 -0.690 995 H GLU 132 H GLU 132 5.268 -11.075 4.271 996 HA GLU 132 HA GLU 132 5.418 -13.547 5.716 997 1HB GLU 132 1HB GLU 132 5.065 -10.834 7.000 998 2HB GLU 132 2HB GLU 132 5.956 -12.227 7.616 999 1HG GLU 132 1HG GLU 132 6.950 -11.446 5.005 1000 2HG GLU 132 2HG GLU 132 7.010 -10.089 6.131 1001 H LEU 133 H LEU 133 2.777 -11.474 4.957 1002 HA LEU 133 HA LEU 133 1.118 -12.450 7.193 1003 1HB LEU 133 1HB LEU 133 0.673 -10.531 4.907 1004 2HB LEU 133 2HB LEU 133 -0.669 -11.097 5.900 1005 HG LEU 133 HG LEU 133 0.244 -10.139 7.874 1006 1HD1 LEU 133 1HD1 LEU 133 2.781 -9.715 6.266 1007 2HD1 LEU 133 2HD1 LEU 133 2.525 -9.134 7.910 1008 3HD1 LEU 133 3HD1 LEU 133 2.564 -10.866 7.582 1009 1HD2 LEU 133 1HD2 LEU 133 0.403 -8.435 5.417 1010 2HD2 LEU 133 2HD2 LEU 133 -0.696 -8.316 6.792 1011 3HD2 LEU 133 3HD2 LEU 133 0.969 -7.754 6.942 1012 H THR 134 H THR 134 1.490 -12.936 3.712 1013 HA THR 134 HA THR 134 -0.877 -14.566 3.403 1014 HB THR 134 HB THR 134 0.109 -15.190 1.238 1015 HG1 THR 134 HG1 THR 134 2.309 -13.710 1.278 1016 1HG2 THR 134 1HG2 THR 134 0.543 -12.279 1.965 1017 2HG2 THR 134 2HG2 THR 134 0.390 -12.905 0.323 1018 3HG2 THR 134 3HG2 THR 134 -0.978 -12.996 1.433 1019 H LYS 135 H LYS 135 2.302 -15.165 4.639 1020 HA LYS 135 HA LYS 135 2.196 -18.058 4.203 1021 1HB LYS 135 1HB LYS 135 4.245 -18.096 5.583 1022 2HB LYS 135 2HB LYS 135 4.361 -16.886 4.304 1023 1HG LYS 135 1HG LYS 135 4.460 -15.175 5.782 1024 2HG LYS 135 2HG LYS 135 3.156 -15.843 6.767 1025 1HD LYS 135 1HD LYS 135 5.292 -15.775 8.019 1026 2HD LYS 135 2HD LYS 135 4.726 -17.431 7.796 1027 1HE LYS 135 1HE LYS 135 6.538 -17.983 6.566 1028 2HE LYS 135 2HE LYS 135 6.391 -16.532 5.572 1029 1HZ LYS 135 1HZ LYS 135 7.211 -15.837 8.182 1030 2HZ LYS 135 2HZ LYS 135 8.252 -17.028 7.562 1031 3HZ LYS 135 3HZ LYS 135 8.015 -15.582 6.708 1032 H LYS 136 H LYS 136 0.670 -15.968 6.343 1033 HA LYS 136 HA LYS 136 0.036 -18.249 8.136 1034 1HB LYS 136 1HB LYS 136 1.229 -15.613 8.960 1035 2HB LYS 136 2HB LYS 136 0.153 -16.478 10.058 1036 1HG LYS 136 1HG LYS 136 1.732 -18.528 9.364 1037 2HG LYS 136 2HG LYS 136 2.882 -17.215 9.107 1038 1HD LYS 136 1HD LYS 136 1.454 -16.786 11.577 1039 2HD LYS 136 2HD LYS 136 2.165 -18.400 11.572 1040 1HE LYS 136 1HE LYS 136 3.674 -16.543 12.447 1041 2HE LYS 136 2HE LYS 136 4.358 -17.534 11.159 1042 1HZ LYS 136 1HZ LYS 136 2.849 -15.211 10.297 1043 2HZ LYS 136 2HZ LYS 136 4.306 -14.876 11.104 1044 3HZ LYS 136 3HZ LYS 136 4.307 -15.840 9.704 1045 H ALA 137 H ALA 137 -1.319 -16.550 5.993 1046 HA ALA 137 HA ALA 137 -3.464 -15.276 7.602 1047 1HB ALA 137 1HB ALA 137 -2.648 -15.188 4.712 1048 2HB ALA 137 2HB ALA 137 -4.294 -14.745 5.164 1049 3HB ALA 137 3HB ALA 137 -2.927 -13.854 5.831 1050 H MET 138 H MET 138 -2.791 -18.154 5.804 1051 HA MET 138 HA MET 138 -5.689 -18.878 5.882 1052 1HB MET 138 1HB MET 138 -3.841 -19.030 3.781 1053 2HB MET 138 2HB MET 138 -4.007 -20.691 4.352 1054 1HG MET 138 1HG MET 138 -6.028 -20.854 3.384 1055 2HG MET 138 2HG MET 138 -6.601 -19.458 4.296 1056 1HE MET 138 1HE MET 138 -7.798 -20.133 1.781 1057 2HE MET 138 2HE MET 138 -8.182 -18.491 2.290 1058 3HE MET 138 3HE MET 138 -7.688 -18.810 0.622 Start of MODEL 12 1 1H ALA 1 1H ALA 1 -21.157 5.615 8.066 2 2H ALA 1 2H ALA 1 -20.525 7.152 8.422 3 3H ALA 1 3H ALA 1 -19.485 5.820 8.253 4 HA ALA 1 HA ALA 1 -19.703 6.269 10.568 5 1HB ALA 1 1HB ALA 1 -21.861 7.517 10.335 6 2HB ALA 1 2HB ALA 1 -22.688 5.975 10.114 7 3HB ALA 1 3HB ALA 1 -21.890 6.335 11.644 8 H MET 2 H MET 2 -19.786 3.984 8.475 9 HA MET 2 HA MET 2 -19.641 1.823 10.376 10 1HB MET 2 1HB MET 2 -22.245 2.423 9.535 11 2HB MET 2 2HB MET 2 -21.767 1.044 8.546 12 1HG MET 2 1HG MET 2 -20.867 0.105 10.849 13 2HG MET 2 2HG MET 2 -22.041 1.234 11.524 14 1HE MET 2 1HE MET 2 -22.129 -1.162 12.368 15 2HE MET 2 2HE MET 2 -23.871 -1.464 12.346 16 3HE MET 2 3HE MET 2 -22.776 -2.550 11.496 17 H THR 3 H THR 3 -19.505 -0.355 9.058 18 HA THR 3 HA THR 3 -17.382 -0.302 7.283 19 HB THR 3 HB THR 3 -18.162 -2.434 8.053 20 HG1 THR 3 HG1 THR 3 -18.779 -3.379 5.864 21 1HG2 THR 3 1HG2 THR 3 -20.742 -1.738 6.631 22 2HG2 THR 3 2HG2 THR 3 -20.393 -3.310 7.349 23 3HG2 THR 3 3HG2 THR 3 -20.510 -1.880 8.374 24 H TYR 4 H TYR 4 -17.224 -0.374 4.986 25 HA TYR 4 HA TYR 4 -19.581 0.476 3.415 26 1HB TYR 4 1HB TYR 4 -18.114 2.255 2.324 27 2HB TYR 4 2HB TYR 4 -18.598 2.600 3.984 28 HD1 TYR 4 HD1 TYR 4 -15.864 0.777 2.156 29 HD2 TYR 4 HD2 TYR 4 -16.946 3.299 5.462 30 HE1 TYR 4 HE1 TYR 4 -13.491 0.914 2.824 31 HE2 TYR 4 HE2 TYR 4 -14.556 3.435 6.138 32 HH TYR 4 HH TYR 4 -12.505 2.213 5.856 33 H HIS 5 H HIS 5 -18.040 0.970 1.030 34 HA HIS 5 HA HIS 5 -16.927 -1.762 0.592 35 1HB HIS 5 1HB HIS 5 -18.718 -1.739 -0.871 36 2HB HIS 5 2HB HIS 5 -18.647 0.016 -1.073 37 HD1 HIS 5 HD1 HIS 5 -17.530 -3.125 -2.647 38 HD2 HIS 5 HD2 HIS 5 -16.345 0.856 -2.671 39 HE1 HIS 5 HE1 HIS 5 -15.904 -2.866 -4.573 40 H LEU 6 H LEU 6 -14.928 -1.949 -0.509 41 HA LEU 6 HA LEU 6 -13.440 0.565 -0.777 42 1HB LEU 6 1HB LEU 6 -12.734 -1.673 0.551 43 2HB LEU 6 2HB LEU 6 -12.083 -2.043 -1.042 44 HG LEU 6 HG LEU 6 -10.346 -0.894 0.039 45 1HD1 LEU 6 1HD1 LEU 6 -11.186 -0.014 -2.236 46 2HD1 LEU 6 2HD1 LEU 6 -11.773 1.368 -1.318 47 3HD1 LEU 6 3HD1 LEU 6 -10.046 0.996 -1.342 48 1HD2 LEU 6 1HD2 LEU 6 -12.586 0.664 1.214 49 2HD2 LEU 6 2HD2 LEU 6 -11.117 0.065 1.981 50 3HD2 LEU 6 3HD2 LEU 6 -11.060 1.515 0.980 51 H ASP 7 H ASP 7 -12.865 1.243 -2.821 52 HA ASP 7 HA ASP 7 -12.934 -0.773 -5.010 53 1HB ASP 7 1HB ASP 7 -14.954 1.097 -4.633 54 2HB ASP 7 2HB ASP 7 -13.917 1.855 -5.842 55 H VAL 8 H VAL 8 -10.617 -0.669 -5.017 56 HA VAL 8 HA VAL 8 -9.511 1.956 -5.932 57 HB VAL 8 HB VAL 8 -8.438 1.354 -3.879 58 1HG1 VAL 8 1HG1 VAL 8 -8.617 -1.386 -5.044 59 2HG1 VAL 8 2HG1 VAL 8 -7.234 -1.042 -4.004 60 3HG1 VAL 8 3HG1 VAL 8 -8.874 -0.850 -3.383 61 1HG2 VAL 8 1HG2 VAL 8 -6.982 1.945 -5.934 62 2HG2 VAL 8 2HG2 VAL 8 -6.170 1.207 -4.554 63 3HG2 VAL 8 3HG2 VAL 8 -6.566 0.231 -5.968 64 H VAL 9 H VAL 9 -9.142 1.937 -8.095 65 HA VAL 9 HA VAL 9 -8.213 -0.628 -9.322 66 HB VAL 9 HB VAL 9 -9.368 0.190 -11.418 67 1HG1 VAL 9 1HG1 VAL 9 -10.447 -1.020 -9.065 68 2HG1 VAL 9 2HG1 VAL 9 -11.687 0.031 -9.748 69 3HG1 VAL 9 3HG1 VAL 9 -10.966 -1.239 -10.737 70 1HG2 VAL 9 1HG2 VAL 9 -9.474 2.583 -10.674 71 2HG2 VAL 9 2HG2 VAL 9 -11.037 1.952 -11.192 72 3HG2 VAL 9 3HG2 VAL 9 -10.679 2.116 -9.473 73 H SER 10 H SER 10 -7.095 -0.127 -11.521 74 HA SER 10 HA SER 10 -5.453 2.358 -11.231 75 1HB SER 10 1HB SER 10 -4.469 -0.304 -12.291 76 2HB SER 10 2HB SER 10 -3.504 1.135 -11.971 77 HG SER 10 HG SER 10 -4.608 0.773 -9.735 78 H ALA 11 H ALA 11 -4.014 1.633 -13.721 79 HA ALA 11 HA ALA 11 -5.533 3.047 -15.614 80 1HB ALA 11 1HB ALA 11 -3.100 2.503 -15.829 81 2HB ALA 11 2HB ALA 11 -3.543 0.843 -16.227 82 3HB ALA 11 3HB ALA 11 -4.013 2.162 -17.298 83 H GLU 12 H GLU 12 -5.370 -0.480 -15.089 84 HA GLU 12 HA GLU 12 -8.080 -0.799 -16.098 85 1HB GLU 12 1HB GLU 12 -7.484 -2.263 -18.005 86 2HB GLU 12 2HB GLU 12 -6.883 -0.621 -18.240 87 1HG GLU 12 1HG GLU 12 -4.658 -1.236 -17.725 88 2HG GLU 12 2HG GLU 12 -5.162 -2.752 -16.977 89 H GLN 13 H GLN 13 -7.069 -1.476 -13.647 90 HA GLN 13 HA GLN 13 -7.364 -4.411 -13.693 91 1HB GLN 13 1HB GLN 13 -5.368 -4.750 -12.254 92 2HB GLN 13 2HB GLN 13 -4.929 -4.117 -13.842 93 1HG GLN 13 1HG GLN 13 -4.056 -2.246 -12.937 94 2HG GLN 13 2HG GLN 13 -5.515 -1.960 -11.987 95 1HE2 GLN 13 2HE2 GLN 13 -2.265 -3.264 -11.879 96 2HE2 GLN 13 1HE2 GLN 13 -2.274 -3.668 -10.231 97 H GLN 14 H GLN 14 -7.946 -5.243 -11.561 98 HA GLN 14 HA GLN 14 -8.982 -3.081 -9.773 99 1HB GLN 14 1HB GLN 14 -10.164 -5.515 -10.837 100 2HB GLN 14 2HB GLN 14 -10.230 -5.494 -9.074 101 1HG GLN 14 1HG GLN 14 -11.416 -3.432 -9.038 102 2HG GLN 14 2HG GLN 14 -11.051 -3.106 -10.733 103 1HE2 GLN 14 2HE2 GLN 14 -12.769 -5.553 -8.705 104 2HE2 GLN 14 1HE2 GLN 14 -13.976 -5.869 -9.856 105 H MET 15 H MET 15 -8.985 -3.622 -7.432 106 HA MET 15 HA MET 15 -6.970 -5.661 -6.645 107 1HB MET 15 1HB MET 15 -6.911 -2.827 -5.575 108 2HB MET 15 2HB MET 15 -5.730 -4.107 -5.291 109 1HG MET 15 1HG MET 15 -5.286 -4.134 -7.776 110 2HG MET 15 2HG MET 15 -6.302 -2.700 -7.912 111 1HE MET 15 1HE MET 15 -3.002 -4.096 -7.600 112 2HE MET 15 2HE MET 15 -2.039 -3.110 -6.501 113 3HE MET 15 3HE MET 15 -3.264 -4.200 -5.854 114 H PHE 16 H PHE 16 -9.324 -3.228 -5.489 115 HA PHE 16 HA PHE 16 -10.294 -5.272 -3.554 116 1HB PHE 16 1HB PHE 16 -8.728 -3.643 -2.403 117 2HB PHE 16 2HB PHE 16 -9.881 -2.368 -2.793 118 HD1 PHE 16 HD1 PHE 16 -11.868 -5.173 -2.426 119 HD2 PHE 16 HD2 PHE 16 -9.510 -2.491 -0.040 120 HE1 PHE 16 HE1 PHE 16 -13.195 -5.778 -0.431 121 HE2 PHE 16 HE2 PHE 16 -10.848 -3.088 1.947 122 HZ PHE 16 HZ PHE 16 -12.678 -4.746 1.757 123 H SER 17 H SER 17 -12.362 -5.584 -4.227 124 HA SER 17 HA SER 17 -14.070 -3.181 -4.537 125 1HB SER 17 1HB SER 17 -14.960 -3.845 -6.614 126 2HB SER 17 2HB SER 17 -13.239 -4.169 -6.794 127 HG SER 17 HG SER 17 -14.205 -6.019 -7.414 128 H GLY 18 H GLY 18 -14.905 -3.776 -2.449 129 1HA GLY 18 1HA GLY 18 -17.212 -5.463 -2.507 130 2HA GLY 18 2HA GLY 18 -15.891 -6.332 -1.722 131 H LEU 19 H LEU 19 -16.917 -6.248 0.362 132 HA LEU 19 HA LEU 19 -17.629 -3.638 1.499 133 1HB LEU 19 1HB LEU 19 -17.448 -6.366 2.812 134 2HB LEU 19 2HB LEU 19 -18.190 -4.928 3.515 135 HG LEU 19 HG LEU 19 -19.083 -6.427 1.042 136 1HD1 LEU 19 1HD1 LEU 19 -20.403 -5.812 3.702 137 2HD1 LEU 19 2HD1 LEU 19 -21.198 -6.611 2.345 138 3HD1 LEU 19 3HD1 LEU 19 -19.840 -7.391 3.157 139 1HD2 LEU 19 1HD2 LEU 19 -20.046 -3.782 2.177 140 2HD2 LEU 19 2HD2 LEU 19 -19.233 -4.016 0.628 141 3HD2 LEU 19 3HD2 LEU 19 -20.850 -4.676 0.887 142 H VAL 20 H VAL 20 -16.663 -3.243 3.848 143 HA VAL 20 HA VAL 20 -14.071 -4.138 4.540 144 HB VAL 20 HB VAL 20 -12.935 -3.238 2.752 145 1HG1 VAL 20 1HG1 VAL 20 -15.417 -1.664 2.449 146 2HG1 VAL 20 2HG1 VAL 20 -13.954 -0.883 1.850 147 3HG1 VAL 20 3HG1 VAL 20 -14.427 -2.462 1.226 148 1HG2 VAL 20 1HG2 VAL 20 -13.403 -0.777 4.461 149 2HG2 VAL 20 2HG2 VAL 20 -12.062 -1.920 4.594 150 3HG2 VAL 20 3HG2 VAL 20 -12.194 -0.880 3.178 151 H GLU 21 H GLU 21 -13.000 -2.444 6.085 152 HA GLU 21 HA GLU 21 -14.690 -0.306 7.089 153 1HB GLU 21 1HB GLU 21 -15.753 -2.527 7.922 154 2HB GLU 21 2HB GLU 21 -14.354 -2.630 8.990 155 1HG GLU 21 1HG GLU 21 -15.002 -0.125 9.554 156 2HG GLU 21 2HG GLU 21 -16.592 -0.638 8.986 157 H LYS 22 H LYS 22 -11.976 -2.523 7.620 158 HA LYS 22 HA LYS 22 -10.599 -0.303 9.075 159 1HB LYS 22 1HB LYS 22 -11.003 -2.966 9.872 160 2HB LYS 22 2HB LYS 22 -9.314 -2.888 9.366 161 1HG LYS 22 1HG LYS 22 -10.222 -0.587 10.981 162 2HG LYS 22 2HG LYS 22 -10.206 -2.130 11.838 163 1HD LYS 22 1HD LYS 22 -7.838 -1.443 10.148 164 2HD LYS 22 2HD LYS 22 -8.020 -0.615 11.694 165 1HE LYS 22 1HE LYS 22 -8.592 -3.288 12.274 166 2HE LYS 22 2HE LYS 22 -7.223 -3.364 11.163 167 1HZ LYS 22 1HZ LYS 22 -6.345 -1.448 12.679 168 2HZ LYS 22 2HZ LYS 22 -7.398 -2.139 13.820 169 3HZ LYS 22 3HZ LYS 22 -6.155 -3.072 13.141 170 H ILE 23 H ILE 23 -10.093 0.467 6.821 171 HA ILE 23 HA ILE 23 -7.983 -1.153 5.467 172 HB ILE 23 HB ILE 23 -9.400 -0.482 3.763 173 1HG1 ILE 23 1HG1 ILE 23 -8.014 2.168 3.769 174 2HG1 ILE 23 2HG1 ILE 23 -7.010 0.720 3.695 175 1HG2 ILE 23 1HG2 ILE 23 -10.008 1.808 5.579 176 2HG2 ILE 23 2HG2 ILE 23 -10.316 2.007 3.857 177 3HG2 ILE 23 3HG2 ILE 23 -11.107 0.709 4.750 178 1HD1 ILE 23 1HD1 ILE 23 -8.762 0.003 1.837 179 2HD1 ILE 23 2HD1 ILE 23 -9.010 1.744 1.714 180 3HD1 ILE 23 3HD1 ILE 23 -7.409 1.060 1.435 181 H GLN 24 H GLN 24 -5.865 -0.320 5.248 182 HA GLN 24 HA GLN 24 -5.294 2.374 6.324 183 1HB GLN 24 1HB GLN 24 -5.138 1.102 8.350 184 2HB GLN 24 2HB GLN 24 -4.247 -0.189 7.545 185 1HG GLN 24 1HG GLN 24 -2.312 1.197 7.263 186 2HG GLN 24 2HG GLN 24 -3.202 2.644 7.741 187 1HE2 GLN 24 2HE2 GLN 24 -3.853 2.809 10.057 188 2HE2 GLN 24 1HE2 GLN 24 -3.002 1.936 11.238 189 H VAL 25 H VAL 25 -3.080 3.061 5.834 190 HA VAL 25 HA VAL 25 -1.743 1.388 3.750 191 HB VAL 25 HB VAL 25 -2.965 3.166 2.597 192 1HG1 VAL 25 1HG1 VAL 25 -2.258 4.647 4.927 193 2HG1 VAL 25 2HG1 VAL 25 -1.550 5.472 3.539 194 3HG1 VAL 25 3HG1 VAL 25 -3.285 5.158 3.588 195 1HG2 VAL 25 1HG2 VAL 25 -0.598 2.538 1.906 196 2HG2 VAL 25 2HG2 VAL 25 -1.127 4.136 1.385 197 3HG2 VAL 25 3HG2 VAL 25 -0.049 3.973 2.772 198 H THR 26 H THR 26 0.550 1.605 3.700 199 HA THR 26 HA THR 26 1.694 3.087 6.037 200 HB THR 26 HB THR 26 3.238 0.811 4.945 201 HG1 THR 26 HG1 THR 26 0.702 0.548 6.145 202 1HG2 THR 26 1HG2 THR 26 3.485 2.357 7.109 203 2HG2 THR 26 2HG2 THR 26 2.431 1.123 7.801 204 3HG2 THR 26 3HG2 THR 26 3.992 0.668 7.118 205 H GLY 27 H GLY 27 2.148 4.938 4.729 206 1HA GLY 27 1HA GLY 27 4.272 4.476 2.669 207 2HA GLY 27 2HA GLY 27 3.082 5.772 2.543 208 H SER 28 H SER 28 3.136 7.440 4.288 209 HA SER 28 HA SER 28 5.654 7.612 5.823 210 1HB SER 28 1HB SER 28 5.840 10.057 4.865 211 2HB SER 28 2HB SER 28 6.513 8.709 3.953 212 HG SER 28 HG SER 28 4.584 8.659 2.748 213 H GLU 29 H GLU 29 3.580 10.311 4.884 214 HA GLU 29 HA GLU 29 2.926 10.746 7.726 215 1HB GLU 29 1HB GLU 29 1.761 12.435 5.550 216 2HB GLU 29 2HB GLU 29 2.389 12.915 7.126 217 1HG GLU 29 1HG GLU 29 4.699 12.252 6.244 218 2HG GLU 29 2HG GLU 29 3.956 12.185 4.646 219 H GLY 30 H GLY 30 1.384 9.622 4.787 220 1HA GLY 30 1HA GLY 30 -1.289 9.687 6.052 221 2HA GLY 30 2HA GLY 30 -0.944 9.192 4.394 222 H GLU 31 H GLU 31 -0.413 8.150 7.768 223 HA GLU 31 HA GLU 31 -0.099 5.357 6.835 224 1HB GLU 31 1HB GLU 31 0.002 6.456 9.659 225 2HB GLU 31 2HB GLU 31 0.534 4.861 9.128 226 1HG GLU 31 1HG GLU 31 2.170 6.023 7.588 227 2HG GLU 31 2HG GLU 31 1.742 7.537 8.387 228 H LEU 32 H LEU 32 -2.698 6.789 6.646 229 HA LEU 32 HA LEU 32 -4.282 4.888 8.325 230 1HB LEU 32 1HB LEU 32 -4.589 7.848 8.006 231 2HB LEU 32 2HB LEU 32 -6.056 6.870 8.154 232 HG LEU 32 HG LEU 32 -3.728 6.642 10.081 233 1HD1 LEU 32 1HD1 LEU 32 -5.491 8.838 9.778 234 2HD1 LEU 32 2HD1 LEU 32 -6.049 7.942 11.190 235 3HD1 LEU 32 3HD1 LEU 32 -4.387 8.527 11.117 236 1HD2 LEU 32 1HD2 LEU 32 -5.966 5.049 9.631 237 2HD2 LEU 32 2HD2 LEU 32 -4.997 5.069 11.104 238 3HD2 LEU 32 3HD2 LEU 32 -6.449 6.063 10.991 239 H GLY 33 H GLY 33 -6.080 4.000 7.298 240 1HA GLY 33 1HA GLY 33 -6.206 4.478 4.365 241 2HA GLY 33 2HA GLY 33 -6.849 3.054 5.193 242 H ILE 34 H ILE 34 -8.909 3.151 6.076 243 HA ILE 34 HA ILE 34 -10.268 5.714 6.364 244 HB ILE 34 HB ILE 34 -10.992 3.809 4.137 245 1HG1 ILE 34 1HG1 ILE 34 -9.647 5.814 3.630 246 2HG1 ILE 34 2HG1 ILE 34 -11.269 5.984 2.954 247 1HG2 ILE 34 1HG2 ILE 34 -12.985 4.128 5.627 248 2HG2 ILE 34 2HG2 ILE 34 -12.822 5.865 5.421 249 3HG2 ILE 34 3HG2 ILE 34 -13.209 4.841 4.034 250 1HD1 ILE 34 1HD1 ILE 34 -11.769 7.000 5.364 251 2HD1 ILE 34 2HD1 ILE 34 -10.040 7.378 5.294 252 3HD1 ILE 34 3HD1 ILE 34 -11.136 8.008 4.056 253 H TYR 35 H TYR 35 -12.422 5.430 7.320 254 HA TYR 35 HA TYR 35 -13.229 2.836 8.365 255 1HB TYR 35 1HB TYR 35 -12.918 4.160 10.778 256 2HB TYR 35 2HB TYR 35 -11.858 2.883 10.190 257 HD1 TYR 35 HD1 TYR 35 -9.686 3.446 9.128 258 HD2 TYR 35 HD2 TYR 35 -12.269 6.492 10.715 259 HE1 TYR 35 HE1 TYR 35 -7.823 5.076 9.025 260 HE2 TYR 35 HE2 TYR 35 -10.403 8.122 10.615 261 HH TYR 35 HH TYR 35 -7.940 8.096 10.589 262 HA PRO 36 HA PRO 36 -16.986 5.057 8.950 263 1HB PRO 36 1HB PRO 36 -17.908 4.204 11.407 264 2HB PRO 36 2HB PRO 36 -17.975 3.222 9.933 265 1HG PRO 36 1HG PRO 36 -16.103 3.003 12.255 266 2HG PRO 36 2HG PRO 36 -16.689 1.738 11.161 267 1HD PRO 36 1HD PRO 36 -14.160 2.926 11.020 268 2HD PRO 36 2HD PRO 36 -14.939 2.040 9.694 269 H GLY 37 H GLY 37 -16.985 7.236 9.304 270 1HA GLY 37 1HA GLY 37 -17.021 9.234 10.613 271 2HA GLY 37 2HA GLY 37 -16.487 8.293 12.014 272 H HIS 38 H HIS 38 -14.985 8.084 8.873 273 HA HIS 38 HA HIS 38 -12.378 8.786 10.026 274 1HB HIS 38 1HB HIS 38 -11.476 7.949 7.950 275 2HB HIS 38 2HB HIS 38 -12.784 6.867 8.422 276 HD1 HIS 38 HD1 HIS 38 -11.791 9.356 5.840 277 HD2 HIS 38 HD2 HIS 38 -15.190 7.159 6.843 278 HE1 HIS 38 HE1 HIS 38 -13.373 9.549 3.875 279 H ALA 39 H ALA 39 -11.017 9.961 8.050 280 HA ALA 39 HA ALA 39 -11.590 12.716 8.229 281 1HB ALA 39 1HB ALA 39 -9.554 11.164 7.215 282 2HB ALA 39 2HB ALA 39 -10.231 11.879 5.752 283 3HB ALA 39 3HB ALA 39 -9.650 12.917 7.055 284 HA PRO 40 HA PRO 40 -14.442 13.557 4.975 285 1HB PRO 40 1HB PRO 40 -13.224 15.360 3.289 286 2HB PRO 40 2HB PRO 40 -13.830 15.773 4.902 287 1HG PRO 40 1HG PRO 40 -11.017 15.395 3.995 288 2HG PRO 40 2HG PRO 40 -11.642 16.363 5.341 289 1HD PRO 40 1HD PRO 40 -10.414 13.827 5.544 290 2HD PRO 40 2HD PRO 40 -11.318 14.651 6.832 291 H LEU 41 H LEU 41 -14.675 13.702 2.383 292 HA LEU 41 HA LEU 41 -13.463 11.237 1.381 293 1HB LEU 41 1HB LEU 41 -15.066 11.725 -0.569 294 2HB LEU 41 2HB LEU 41 -15.802 11.373 0.996 295 HG LEU 41 HG LEU 41 -15.173 14.219 0.586 296 1HD1 LEU 41 1HD1 LEU 41 -15.869 13.375 -1.727 297 2HD1 LEU 41 2HD1 LEU 41 -17.442 13.018 -1.012 298 3HD1 LEU 41 3HD1 LEU 41 -16.849 14.678 -1.052 299 1HD2 LEU 41 1HD2 LEU 41 -17.024 12.516 1.998 300 2HD2 LEU 41 2HD2 LEU 41 -16.699 14.232 2.245 301 3HD2 LEU 41 3HD2 LEU 41 -17.920 13.725 1.078 302 H LEU 42 H LEU 42 -11.654 13.492 1.604 303 HA LEU 42 HA LEU 42 -10.836 13.608 -1.237 304 1HB LEU 42 1HB LEU 42 -12.195 15.658 -0.870 305 2HB LEU 42 2HB LEU 42 -11.117 16.112 0.452 306 HG LEU 42 HG LEU 42 -9.329 15.606 -1.568 307 1HD1 LEU 42 1HD1 LEU 42 -11.887 15.911 -2.805 308 2HD1 LEU 42 2HD1 LEU 42 -10.929 17.346 -3.175 309 3HD1 LEU 42 3HD1 LEU 42 -10.314 15.745 -3.584 310 1HD2 LEU 42 1HD2 LEU 42 -9.394 17.561 -0.033 311 2HD2 LEU 42 2HD2 LEU 42 -9.116 18.050 -1.705 312 3HD2 LEU 42 3HD2 LEU 42 -10.714 18.244 -0.984 313 H THR 43 H THR 43 -8.776 12.886 -1.183 314 HA THR 43 HA THR 43 -6.716 14.162 0.345 315 HB THR 43 HB THR 43 -7.917 12.867 2.167 316 HG1 THR 43 HG1 THR 43 -5.972 13.062 2.900 317 1HG2 THR 43 1HG2 THR 43 -6.942 10.566 0.464 318 2HG2 THR 43 2HG2 THR 43 -7.393 10.384 2.159 319 3HG2 THR 43 3HG2 THR 43 -8.596 10.901 0.977 320 H ALA 44 H ALA 44 -4.735 12.330 0.409 321 HA ALA 44 HA ALA 44 -4.804 10.977 -2.252 322 1HB ALA 44 1HB ALA 44 -2.599 12.724 -1.125 323 2HB ALA 44 2HB ALA 44 -2.406 11.689 -2.540 324 3HB ALA 44 3HB ALA 44 -3.556 13.026 -2.575 325 H ILE 45 H ILE 45 -3.481 9.089 -2.395 326 HA ILE 45 HA ILE 45 -2.773 7.945 0.263 327 HB ILE 45 HB ILE 45 -3.644 6.790 -2.364 328 1HG1 ILE 45 1HG1 ILE 45 -4.990 5.372 -0.828 329 2HG1 ILE 45 2HG1 ILE 45 -4.223 6.164 0.548 330 1HG2 ILE 45 1HG2 ILE 45 -1.751 5.489 -0.412 331 2HG2 ILE 45 2HG2 ILE 45 -2.906 4.512 -1.319 332 3HG2 ILE 45 3HG2 ILE 45 -1.702 5.477 -2.176 333 1HD1 ILE 45 1HD1 ILE 45 -5.635 7.763 -1.583 334 2HD1 ILE 45 2HD1 ILE 45 -6.520 7.069 -0.225 335 3HD1 ILE 45 3HD1 ILE 45 -5.236 8.242 0.066 336 H LYS 46 H LYS 46 -0.648 8.216 0.747 337 HA LYS 46 HA LYS 46 1.389 8.794 -1.188 338 1HB LYS 46 1HB LYS 46 1.197 8.441 1.691 339 2HB LYS 46 2HB LYS 46 2.664 7.695 1.057 340 1HG LYS 46 1HG LYS 46 3.433 9.856 1.321 341 2HG LYS 46 2HG LYS 46 2.787 9.984 -0.316 342 1HD LYS 46 1HD LYS 46 0.540 10.524 1.052 343 2HD LYS 46 2HD LYS 46 1.718 11.091 2.236 344 1HE LYS 46 1HE LYS 46 2.736 12.565 0.586 345 2HE LYS 46 2HE LYS 46 1.682 11.930 -0.677 346 1HZ LYS 46 1HZ LYS 46 0.287 12.893 1.655 347 2HZ LYS 46 2HZ LYS 46 1.149 14.099 0.824 348 3HZ LYS 46 3HZ LYS 46 -0.023 13.175 0.012 349 HA PRO 47 HA PRO 47 2.750 4.806 -2.432 350 1HB PRO 47 1HB PRO 47 5.486 4.986 -2.205 351 2HB PRO 47 2HB PRO 47 4.552 5.790 -3.477 352 1HG PRO 47 1HG PRO 47 5.831 6.972 -1.057 353 2HG PRO 47 2HG PRO 47 5.453 7.733 -2.611 354 1HD PRO 47 1HD PRO 47 3.964 8.020 -0.223 355 2HD PRO 47 2HD PRO 47 3.427 8.490 -1.850 356 H GLY 48 H GLY 48 3.144 2.747 -1.573 357 1HA GLY 48 1HA GLY 48 4.760 1.797 0.374 358 2HA GLY 48 2HA GLY 48 3.524 2.597 1.347 359 H MET 49 H MET 49 2.922 0.469 2.183 360 HA MET 49 HA MET 49 1.562 -1.291 0.195 361 1HB MET 49 1HB MET 49 1.662 -3.030 1.892 362 2HB MET 49 2HB MET 49 3.265 -2.313 1.727 363 1HG MET 49 1HG MET 49 3.110 -1.170 3.761 364 2HG MET 49 2HG MET 49 1.347 -1.210 3.764 365 1HE MET 49 1HE MET 49 0.002 -2.922 3.870 366 2HE MET 49 2HE MET 49 0.484 -4.609 3.649 367 3HE MET 49 3HE MET 49 0.112 -4.000 5.259 368 H ILE 50 H ILE 50 -0.304 -2.535 1.803 369 HA ILE 50 HA ILE 50 -1.870 -0.495 3.223 370 HB ILE 50 HB ILE 50 -2.673 -1.586 0.524 371 1HG1 ILE 50 1HG1 ILE 50 -2.631 1.150 1.830 372 2HG1 ILE 50 2HG1 ILE 50 -1.610 0.587 0.506 373 1HG2 ILE 50 1HG2 ILE 50 -4.515 -2.086 2.108 374 2HG2 ILE 50 2HG2 ILE 50 -4.519 -0.399 2.622 375 3HG2 ILE 50 3HG2 ILE 50 -4.969 -0.818 0.968 376 1HD1 ILE 50 1HD1 ILE 50 -3.636 0.297 -0.903 377 2HD1 ILE 50 2HD1 ILE 50 -4.621 0.938 0.412 378 3HD1 ILE 50 3HD1 ILE 50 -3.429 1.969 -0.380 379 H ARG 51 H ARG 51 -2.854 -1.508 4.887 380 HA ARG 51 HA ARG 51 -3.429 -4.434 4.614 381 1HB ARG 51 1HB ARG 51 -1.635 -3.510 6.334 382 2HB ARG 51 2HB ARG 51 -3.067 -3.127 7.291 383 1HG ARG 51 1HG ARG 51 -3.661 -5.355 7.550 384 2HG ARG 51 2HG ARG 51 -2.852 -5.850 6.062 385 1HD ARG 51 1HD ARG 51 -1.578 -6.667 7.978 386 2HD ARG 51 2HD ARG 51 -0.653 -5.412 7.154 387 HE ARG 51 HE ARG 51 -2.322 -4.551 9.441 388 1HH1 ARG 51 1HH1 ARG 51 0.006 -3.030 8.190 389 2HH1 ARG 51 2HH1 ARG 51 1.237 -3.260 9.386 390 1HH2 ARG 51 1HH2 ARG 51 -0.419 -5.864 10.968 391 2HH2 ARG 51 2HH2 ARG 51 0.996 -4.866 10.962 392 H ILE 52 H ILE 52 -5.615 -4.599 4.310 393 HA ILE 52 HA ILE 52 -7.367 -2.794 5.929 394 HB ILE 52 HB ILE 52 -8.018 -4.114 3.297 395 1HG1 ILE 52 1HG1 ILE 52 -7.443 -1.188 3.697 396 2HG1 ILE 52 2HG1 ILE 52 -6.159 -2.328 3.305 397 1HG2 ILE 52 1HG2 ILE 52 -9.452 -2.163 5.080 398 2HG2 ILE 52 2HG2 ILE 52 -9.807 -2.253 3.356 399 3HG2 ILE 52 3HG2 ILE 52 -10.052 -3.664 4.383 400 1HD1 ILE 52 1HD1 ILE 52 -7.432 -3.046 1.302 401 2HD1 ILE 52 2HD1 ILE 52 -8.673 -1.851 1.678 402 3HD1 ILE 52 3HD1 ILE 52 -7.044 -1.326 1.249 403 H VAL 53 H VAL 53 -9.576 -3.770 6.328 404 HA VAL 53 HA VAL 53 -9.473 -6.729 6.629 405 HB VAL 53 HB VAL 53 -10.116 -4.673 8.756 406 1HG1 VAL 53 1HG1 VAL 53 -11.908 -6.407 8.631 407 2HG1 VAL 53 2HG1 VAL 53 -10.675 -7.653 8.834 408 3HG1 VAL 53 3HG1 VAL 53 -10.980 -6.495 10.128 409 1HG2 VAL 53 1HG2 VAL 53 -7.806 -6.082 8.154 410 2HG2 VAL 53 2HG2 VAL 53 -8.187 -5.373 9.723 411 3HG2 VAL 53 3HG2 VAL 53 -8.551 -7.069 9.412 412 H LYS 54 H LYS 54 -11.250 -7.540 5.620 413 HA LYS 54 HA LYS 54 -13.380 -5.898 4.645 414 1HB LYS 54 1HB LYS 54 -12.618 -8.238 3.835 415 2HB LYS 54 2HB LYS 54 -13.645 -8.866 5.123 416 1HG LYS 54 1HG LYS 54 -15.604 -7.930 4.173 417 2HG LYS 54 2HG LYS 54 -14.679 -6.858 3.119 418 1HD LYS 54 1HD LYS 54 -14.058 -9.708 2.744 419 2HD LYS 54 2HD LYS 54 -15.727 -9.288 2.357 420 1HE LYS 54 1HE LYS 54 -14.208 -7.208 1.259 421 2HE LYS 54 2HE LYS 54 -13.293 -8.672 0.890 422 1HZ LYS 54 1HZ LYS 54 -15.770 -9.477 0.350 423 2HZ LYS 54 2HZ LYS 54 -15.904 -7.832 -0.053 424 3HZ LYS 54 3HZ LYS 54 -14.733 -8.796 -0.811 425 H GLN 55 H GLN 55 -15.527 -5.665 5.415 426 HA GLN 55 HA GLN 55 -15.837 -5.592 8.265 427 1HB GLN 55 1HB GLN 55 -17.162 -4.080 6.981 428 2HB GLN 55 2HB GLN 55 -17.803 -5.379 5.976 429 1HG GLN 55 1HG GLN 55 -18.288 -5.767 8.849 430 2HG GLN 55 2HG GLN 55 -19.070 -4.331 8.186 431 1HE2 GLN 55 2HE2 GLN 55 -20.362 -6.909 9.026 432 2HE2 GLN 55 1HE2 GLN 55 -21.170 -7.481 7.648 433 H HIS 56 H HIS 56 -17.209 -7.793 5.798 434 HA HIS 56 HA HIS 56 -18.683 -9.462 7.517 435 1HB HIS 56 1HB HIS 56 -18.329 -9.500 4.892 436 2HB HIS 56 2HB HIS 56 -17.100 -10.700 5.293 437 HD1 HIS 56 HD1 HIS 56 -20.814 -10.071 5.556 438 HD2 HIS 56 HD2 HIS 56 -18.108 -13.180 6.182 439 HE1 HIS 56 HE1 HIS 56 -22.198 -12.158 5.939 440 H GLY 57 H GLY 57 -15.379 -10.185 6.322 441 1HA GLY 57 1HA GLY 57 -14.101 -10.674 8.734 442 2HA GLY 57 2HA GLY 57 -14.970 -12.173 8.403 443 H HIS 58 H HIS 58 -12.469 -9.998 7.191 444 HA HIS 58 HA HIS 58 -10.954 -12.195 6.089 445 1HB HIS 58 1HB HIS 58 -12.870 -10.806 4.348 446 2HB HIS 58 2HB HIS 58 -11.223 -10.800 3.716 447 HD1 HIS 58 HD1 HIS 58 -10.219 -13.526 4.652 448 HD2 HIS 58 HD2 HIS 58 -14.003 -12.952 3.000 449 HE1 HIS 58 HE1 HIS 58 -10.963 -15.779 3.764 450 H GLU 59 H GLU 59 -9.104 -11.165 4.620 451 HA GLU 59 HA GLU 59 -8.478 -8.395 5.473 452 1HB GLU 59 1HB GLU 59 -6.877 -10.851 6.185 453 2HB GLU 59 2HB GLU 59 -6.108 -9.268 6.055 454 1HG GLU 59 1HG GLU 59 -8.247 -8.615 7.581 455 2HG GLU 59 2HG GLU 59 -8.009 -10.286 8.095 456 H GLU 60 H GLU 60 -7.606 -7.310 3.767 457 HA GLU 60 HA GLU 60 -6.098 -8.859 1.716 458 1HB GLU 60 1HB GLU 60 -8.703 -7.632 1.385 459 2HB GLU 60 2HB GLU 60 -7.524 -6.872 0.315 460 1HG GLU 60 1HG GLU 60 -6.878 -9.517 0.026 461 2HG GLU 60 2HG GLU 60 -8.624 -9.611 0.259 462 H PHE 61 H PHE 61 -4.260 -7.784 1.077 463 HA PHE 61 HA PHE 61 -4.020 -4.925 1.925 464 1HB PHE 61 1HB PHE 61 -1.457 -5.585 1.740 465 2HB PHE 61 2HB PHE 61 -2.379 -5.954 3.198 466 HD1 PHE 61 HD1 PHE 61 -3.475 -8.271 3.383 467 HD2 PHE 61 HD2 PHE 61 -0.482 -7.302 0.462 468 HE1 PHE 61 HE1 PHE 61 -3.007 -10.685 3.060 469 HE2 PHE 61 HE2 PHE 61 -0.005 -9.716 0.145 470 HZ PHE 61 HZ PHE 61 -1.273 -11.408 1.442 471 H ILE 62 H ILE 62 -3.123 -3.467 0.438 472 HA ILE 62 HA ILE 62 -2.692 -4.556 -2.317 473 HB ILE 62 HB ILE 62 -3.764 -1.802 -1.661 474 1HG1 ILE 62 1HG1 ILE 62 -5.876 -3.209 -2.710 475 2HG1 ILE 62 2HG1 ILE 62 -5.104 -4.433 -1.701 476 1HG2 ILE 62 1HG2 ILE 62 -3.238 -3.414 -4.116 477 2HG2 ILE 62 2HG2 ILE 62 -4.673 -2.389 -4.115 478 3HG2 ILE 62 3HG2 ILE 62 -3.080 -1.677 -3.857 479 1HD1 ILE 62 1HD1 ILE 62 -5.765 -1.647 -0.716 480 2HD1 ILE 62 2HD1 ILE 62 -6.839 -3.030 -0.505 481 3HD1 ILE 62 3HD1 ILE 62 -5.245 -3.028 0.249 482 H TYR 63 H TYR 63 -1.376 -2.879 -3.663 483 HA TYR 63 HA TYR 63 0.594 -1.423 -1.979 484 1HB TYR 63 1HB TYR 63 1.759 -3.470 -2.275 485 2HB TYR 63 2HB TYR 63 1.200 -3.644 -3.937 486 HD1 TYR 63 HD1 TYR 63 2.114 -2.189 -5.729 487 HD2 TYR 63 HD2 TYR 63 3.676 -2.106 -1.729 488 HE1 TYR 63 HE1 TYR 63 4.137 -1.018 -6.548 489 HE2 TYR 63 HE2 TYR 63 5.702 -0.931 -2.547 490 HH TYR 63 HH TYR 63 6.943 -0.642 -4.639 491 H LEU 64 H LEU 64 1.699 0.265 -3.159 492 HA LEU 64 HA LEU 64 1.273 0.731 -5.967 493 1HB LEU 64 1HB LEU 64 -0.164 2.873 -5.463 494 2HB LEU 64 2HB LEU 64 -0.964 1.306 -5.589 495 HG LEU 64 HG LEU 64 -0.675 1.092 -3.068 496 1HD1 LEU 64 1HD1 LEU 64 0.393 3.838 -3.563 497 2HD1 LEU 64 2HD1 LEU 64 -0.573 3.586 -2.110 498 3HD1 LEU 64 3HD1 LEU 64 0.891 2.639 -2.370 499 1HD2 LEU 64 1HD2 LEU 64 -2.502 2.817 -4.592 500 2HD2 LEU 64 2HD2 LEU 64 -2.866 1.605 -3.364 501 3HD2 LEU 64 3HD2 LEU 64 -2.411 3.239 -2.882 502 H SER 65 H SER 65 1.464 3.499 -6.071 503 HA SER 65 HA SER 65 3.508 4.378 -4.148 504 1HB SER 65 1HB SER 65 4.154 4.034 -7.090 505 2HB SER 65 2HB SER 65 5.192 4.826 -5.908 506 HG SER 65 HG SER 65 5.068 2.269 -6.477 507 H GLY 66 H GLY 66 0.792 5.161 -5.368 508 1HA GLY 66 1HA GLY 66 0.830 7.890 -5.088 509 2HA GLY 66 2HA GLY 66 1.368 7.674 -6.754 510 H GLY 67 H GLY 67 -1.156 8.866 -5.747 511 1HA GLY 67 1HA GLY 67 -3.003 8.236 -7.632 512 2HA GLY 67 2HA GLY 67 -3.235 6.918 -6.481 513 H ILE 68 H ILE 68 -5.240 8.862 -7.055 514 HA ILE 68 HA ILE 68 -5.272 10.503 -4.558 515 HB ILE 68 HB ILE 68 -7.127 10.795 -6.931 516 1HG1 ILE 68 1HG1 ILE 68 -5.249 12.874 -6.988 517 2HG1 ILE 68 2HG1 ILE 68 -4.291 11.418 -6.714 518 1HG2 ILE 68 1HG2 ILE 68 -7.535 11.822 -4.568 519 2HG2 ILE 68 2HG2 ILE 68 -6.227 12.924 -5.000 520 3HG2 ILE 68 3HG2 ILE 68 -7.694 12.868 -5.979 521 1HD1 ILE 68 1HD1 ILE 68 -6.441 11.453 -8.822 522 2HD1 ILE 68 2HD1 ILE 68 -4.836 12.095 -9.171 523 3HD1 ILE 68 3HD1 ILE 68 -5.028 10.405 -8.702 524 H LEU 69 H LEU 69 -6.952 10.203 -3.075 525 HA LEU 69 HA LEU 69 -8.881 8.016 -3.737 526 1HB LEU 69 1HB LEU 69 -7.392 7.153 -2.085 527 2HB LEU 69 2HB LEU 69 -7.422 8.661 -1.173 528 HG LEU 69 HG LEU 69 -9.978 7.145 -1.611 529 1HD1 LEU 69 1HD1 LEU 69 -8.133 5.616 -0.692 530 2HD1 LEU 69 2HD1 LEU 69 -8.134 6.655 0.733 531 3HD1 LEU 69 3HD1 LEU 69 -9.591 5.765 0.290 532 1HD2 LEU 69 1HD2 LEU 69 -9.130 9.492 -0.248 533 2HD2 LEU 69 2HD2 LEU 69 -10.740 8.769 -0.243 534 3HD2 LEU 69 3HD2 LEU 69 -9.563 8.309 0.988 535 H GLU 70 H GLU 70 -10.977 8.218 -2.708 536 HA GLU 70 HA GLU 70 -11.695 10.724 -1.373 537 1HB GLU 70 1HB GLU 70 -13.553 11.048 -3.205 538 2HB GLU 70 2HB GLU 70 -11.930 11.677 -3.501 539 1HG GLU 70 1HG GLU 70 -12.121 8.893 -4.301 540 2HG GLU 70 2HG GLU 70 -13.344 9.868 -5.116 541 H VAL 71 H VAL 71 -13.715 10.493 -0.287 542 HA VAL 71 HA VAL 71 -14.767 7.706 -0.356 543 HB VAL 71 HB VAL 71 -14.552 9.799 1.762 544 1HG1 VAL 71 1HG1 VAL 71 -16.999 9.370 1.638 545 2HG1 VAL 71 2HG1 VAL 71 -16.688 7.641 1.792 546 3HG1 VAL 71 3HG1 VAL 71 -16.295 8.731 3.123 547 1HG2 VAL 71 1HG2 VAL 71 -13.549 7.207 1.198 548 2HG2 VAL 71 2HG2 VAL 71 -13.227 8.197 2.619 549 3HG2 VAL 71 3HG2 VAL 71 -14.573 7.056 2.625 550 H GLN 72 H GLN 72 -17.094 7.409 -0.176 551 HA GLN 72 HA GLN 72 -18.682 9.678 -1.300 552 1HB GLN 72 1HB GLN 72 -19.393 6.842 -1.975 553 2HB GLN 72 2HB GLN 72 -19.642 8.311 -2.917 554 1HG GLN 72 1HG GLN 72 -16.865 8.118 -2.685 555 2HG GLN 72 2HG GLN 72 -17.397 6.463 -2.973 556 1HE2 GLN 72 2HE2 GLN 72 -16.220 8.890 -4.714 557 2HE2 GLN 72 1HE2 GLN 72 -17.148 8.771 -6.130 558 HA PRO 73 HA PRO 73 -21.664 8.624 1.771 559 1HB PRO 73 1HB PRO 73 -24.048 8.140 0.490 560 2HB PRO 73 2HB PRO 73 -23.330 9.751 0.660 561 1HG PRO 73 1HG PRO 73 -23.496 8.020 -1.753 562 2HG PRO 73 2HG PRO 73 -23.328 9.780 -1.645 563 1HD PRO 73 1HD PRO 73 -21.260 7.914 -2.209 564 2HD PRO 73 2HD PRO 73 -21.051 9.645 -1.867 565 H GLY 74 H GLY 74 -20.157 6.247 0.973 566 1HA GLY 74 1HA GLY 74 -21.062 4.199 2.403 567 2HA GLY 74 2HA GLY 74 -22.182 4.082 1.050 568 H ASN 75 H ASN 75 -18.761 5.018 0.740 569 HA ASN 75 HA ASN 75 -17.541 2.571 0.221 570 1HB ASN 75 1HB ASN 75 -17.727 2.458 -2.321 571 2HB ASN 75 2HB ASN 75 -19.162 1.962 -1.430 572 1HD2 ASN 75 2HD2 ASN 75 -18.022 4.085 -3.862 573 2HD2 ASN 75 1HD2 ASN 75 -19.396 5.074 -3.972 574 H VAL 76 H VAL 76 -15.408 3.004 -0.179 575 HA VAL 76 HA VAL 76 -14.686 5.764 -0.978 576 HB VAL 76 HB VAL 76 -12.844 3.601 0.060 577 1HG1 VAL 76 1HG1 VAL 76 -12.642 6.426 -0.658 578 2HG1 VAL 76 2HG1 VAL 76 -12.051 6.098 0.970 579 3HG1 VAL 76 3HG1 VAL 76 -11.363 5.240 -0.409 580 1HG2 VAL 76 1HG2 VAL 76 -15.009 4.932 1.434 581 2HG2 VAL 76 2HG2 VAL 76 -13.879 3.729 2.058 582 3HG2 VAL 76 3HG2 VAL 76 -13.466 5.443 2.119 583 H THR 77 H THR 77 -12.966 6.018 -2.606 584 HA THR 77 HA THR 77 -12.288 3.673 -4.254 585 HB THR 77 HB THR 77 -13.996 5.957 -5.286 586 HG1 THR 77 HG1 THR 77 -15.461 4.513 -4.973 587 1HG2 THR 77 1HG2 THR 77 -12.215 3.998 -6.690 588 2HG2 THR 77 2HG2 THR 77 -13.728 4.484 -7.458 589 3HG2 THR 77 3HG2 THR 77 -12.513 5.699 -7.055 590 H VAL 78 H VAL 78 -10.308 3.997 -5.245 591 HA VAL 78 HA VAL 78 -9.294 6.781 -5.493 592 HB VAL 78 HB VAL 78 -8.345 6.198 -3.400 593 1HG1 VAL 78 1HG1 VAL 78 -7.735 3.488 -4.620 594 2HG1 VAL 78 2HG1 VAL 78 -7.277 3.996 -2.995 595 3HG1 VAL 78 3HG1 VAL 78 -8.980 3.827 -3.418 596 1HG2 VAL 78 1HG2 VAL 78 -6.711 6.456 -5.672 597 2HG2 VAL 78 2HG2 VAL 78 -6.223 6.702 -3.996 598 3HG2 VAL 78 3HG2 VAL 78 -6.005 5.126 -4.756 599 H LEU 79 H LEU 79 -7.918 7.054 -7.251 600 HA LEU 79 HA LEU 79 -7.486 4.622 -8.936 601 1HB LEU 79 1HB LEU 79 -7.977 7.519 -9.610 602 2HB LEU 79 2HB LEU 79 -7.191 6.449 -10.770 603 HG LEU 79 HG LEU 79 -9.455 5.074 -9.694 604 1HD1 LEU 79 1HD1 LEU 79 -9.842 7.972 -10.216 605 2HD1 LEU 79 2HD1 LEU 79 -11.036 6.891 -10.936 606 3HD1 LEU 79 3HD1 LEU 79 -10.773 6.879 -9.192 607 1HD2 LEU 79 1HD2 LEU 79 -8.700 6.242 -12.381 608 2HD2 LEU 79 2HD2 LEU 79 -8.611 4.557 -11.866 609 3HD2 LEU 79 3HD2 LEU 79 -10.181 5.312 -12.146 610 H ALA 80 H ALA 80 -5.421 3.935 -8.557 611 HA ALA 80 HA ALA 80 -3.284 5.985 -8.234 612 1HB ALA 80 1HB ALA 80 -3.575 3.107 -7.437 613 2HB ALA 80 2HB ALA 80 -1.959 3.777 -7.661 614 3HB ALA 80 3HB ALA 80 -3.050 4.484 -6.469 615 H ASP 81 H ASP 81 -1.201 5.530 -9.370 616 HA ASP 81 HA ASP 81 -1.752 4.647 -12.141 617 1HB ASP 81 1HB ASP 81 0.440 5.673 -12.651 618 2HB ASP 81 2HB ASP 81 -0.612 6.808 -11.801 619 H THR 82 H THR 82 0.597 3.980 -9.526 620 HA THR 82 HA THR 82 1.438 1.538 -11.000 621 HB THR 82 HB THR 82 2.626 2.935 -8.585 622 HG1 THR 82 HG1 THR 82 3.797 3.924 -10.004 623 1HG2 THR 82 1HG2 THR 82 3.365 0.409 -10.055 624 2HG2 THR 82 2HG2 THR 82 4.559 1.328 -9.138 625 3HG2 THR 82 3HG2 THR 82 3.154 0.646 -8.320 626 H ALA 83 H ALA 83 0.947 -0.488 -10.219 627 HA ALA 83 HA ALA 83 0.010 -0.799 -7.439 628 1HB ALA 83 1HB ALA 83 -1.848 -0.433 -9.524 629 2HB ALA 83 2HB ALA 83 -1.846 -2.165 -9.196 630 3HB ALA 83 3HB ALA 83 -2.185 -1.024 -7.897 631 H ILE 84 H ILE 84 0.620 -2.782 -6.665 632 HA ILE 84 HA ILE 84 1.642 -4.750 -8.667 633 HB ILE 84 HB ILE 84 2.508 -4.069 -5.857 634 1HG1 ILE 84 1HG1 ILE 84 4.636 -3.713 -6.863 635 2HG1 ILE 84 2HG1 ILE 84 4.180 -4.586 -8.325 636 1HG2 ILE 84 1HG2 ILE 84 2.850 -6.653 -7.367 637 2HG2 ILE 84 2HG2 ILE 84 4.095 -6.109 -6.243 638 3HG2 ILE 84 3HG2 ILE 84 2.457 -6.409 -5.666 639 1HD1 ILE 84 1HD1 ILE 84 2.722 -2.082 -7.482 640 2HD1 ILE 84 2HD1 ILE 84 4.200 -2.002 -8.438 641 3HD1 ILE 84 3HD1 ILE 84 2.781 -2.834 -9.076 642 H ARG 85 H ARG 85 -0.230 -4.340 -5.697 643 HA ARG 85 HA ARG 85 -2.055 -5.628 -4.935 644 1HB ARG 85 1HB ARG 85 -2.035 -6.214 -7.592 645 2HB ARG 85 2HB ARG 85 -1.689 -7.802 -6.910 646 1HG ARG 85 1HG ARG 85 -3.748 -6.605 -5.334 647 2HG ARG 85 2HG ARG 85 -4.202 -6.448 -7.032 648 1HD ARG 85 1HD ARG 85 -3.228 -9.018 -6.940 649 2HD ARG 85 2HD ARG 85 -3.997 -8.863 -5.361 650 HE ARG 85 HE ARG 85 -6.079 -8.162 -6.631 651 1HH1 ARG 85 1HH1 ARG 85 -4.580 -8.073 -9.301 652 2HH1 ARG 85 2HH1 ARG 85 -5.119 -9.550 -10.027 653 1HH2 ARG 85 1HH2 ARG 85 -6.329 -10.877 -7.061 654 2HH2 ARG 85 2HH2 ARG 85 -6.108 -11.139 -8.759 655 H GLY 86 H GLY 86 -0.657 -6.086 -3.107 656 1HA GLY 86 1HA GLY 86 0.667 -7.467 -1.723 657 2HA GLY 86 2HA GLY 86 -0.456 -8.706 -2.282 658 H GLN 87 H GLN 87 0.426 -10.383 -3.391 659 HA GLN 87 HA GLN 87 3.145 -9.982 -4.565 660 1HB GLN 87 1HB GLN 87 3.240 -11.493 -2.663 661 2HB GLN 87 2HB GLN 87 1.902 -12.445 -3.312 662 1HG GLN 87 1HG GLN 87 3.804 -12.276 -5.384 663 2HG GLN 87 2HG GLN 87 4.718 -12.636 -3.919 664 1HE2 GLN 87 2HE2 GLN 87 3.373 -14.237 -6.415 665 2HE2 GLN 87 1HE2 GLN 87 2.842 -15.649 -5.637 666 H ASP 88 H ASP 88 1.409 -9.275 -6.352 667 HA ASP 88 HA ASP 88 0.272 -11.567 -7.807 668 1HB ASP 88 1HB ASP 88 -0.844 -9.291 -7.649 669 2HB ASP 88 2HB ASP 88 0.425 -8.684 -8.714 670 H LEU 89 H LEU 89 3.255 -9.966 -7.664 671 HA LEU 89 HA LEU 89 4.161 -11.405 -10.083 672 1HB LEU 89 1HB LEU 89 3.437 -8.846 -10.464 673 2HB LEU 89 2HB LEU 89 5.075 -8.573 -9.869 674 HG LEU 89 HG LEU 89 5.541 -10.594 -11.616 675 1HD1 LEU 89 1HD1 LEU 89 2.962 -9.331 -12.353 676 2HD1 LEU 89 2HD1 LEU 89 4.123 -9.513 -13.668 677 3HD1 LEU 89 3HD1 LEU 89 3.589 -10.927 -12.760 678 1HD2 LEU 89 1HD2 LEU 89 5.599 -7.621 -11.772 679 2HD2 LEU 89 2HD2 LEU 89 6.917 -8.781 -11.937 680 3HD2 LEU 89 3HD2 LEU 89 5.821 -8.494 -13.288 681 H ASP 90 H ASP 90 6.372 -11.952 -9.950 682 HA ASP 90 HA ASP 90 8.368 -12.442 -8.807 683 1HB ASP 90 1HB ASP 90 7.905 -9.561 -8.605 684 2HB ASP 90 2HB ASP 90 8.863 -10.180 -7.260 685 H GLU 91 H GLU 91 9.319 -12.519 -6.477 686 HA GLU 91 HA GLU 91 7.486 -12.234 -4.257 687 1HB GLU 91 1HB GLU 91 6.496 -14.234 -5.327 688 2HB GLU 91 2HB GLU 91 8.056 -15.051 -5.232 689 1HG GLU 91 1HG GLU 91 8.020 -15.013 -2.827 690 2HG GLU 91 2HG GLU 91 6.615 -13.945 -2.809 691 H ALA 92 H ALA 92 9.839 -14.855 -4.763 692 HA ALA 92 HA ALA 92 11.336 -13.961 -2.416 693 1HB ALA 92 1HB ALA 92 11.884 -16.174 -4.419 694 2HB ALA 92 2HB ALA 92 12.797 -15.910 -2.934 695 3HB ALA 92 3HB ALA 92 11.094 -16.360 -2.853 696 H ARG 93 H ARG 93 11.399 -13.310 -5.767 697 HA ARG 93 HA ARG 93 14.254 -12.744 -5.966 698 1HB ARG 93 1HB ARG 93 11.925 -12.705 -7.729 699 2HB ARG 93 2HB ARG 93 12.973 -11.310 -7.985 700 1HG ARG 93 1HG ARG 93 14.609 -13.648 -7.651 701 2HG ARG 93 2HG ARG 93 13.385 -13.978 -8.879 702 1HD ARG 93 1HD ARG 93 14.346 -12.565 -10.360 703 2HD ARG 93 2HD ARG 93 14.545 -11.304 -9.142 704 HE ARG 93 HE ARG 93 16.465 -13.322 -8.603 705 1HH1 ARG 93 1HH1 ARG 93 15.591 -11.296 -11.245 706 2HH1 ARG 93 2HH1 ARG 93 17.227 -10.940 -11.687 707 1HH2 ARG 93 1HH2 ARG 93 18.612 -12.744 -9.070 708 2HH2 ARG 93 2HH2 ARG 93 18.936 -11.761 -10.459 709 H ALA 94 H ALA 94 11.712 -11.206 -4.410 710 HA ALA 94 HA ALA 94 12.695 -8.463 -4.912 711 1HB ALA 94 1HB ALA 94 10.278 -9.689 -3.777 712 2HB ALA 94 2HB ALA 94 10.857 -8.306 -2.849 713 3HB ALA 94 3HB ALA 94 10.477 -8.123 -4.561 714 H MET 95 H MET 95 12.904 -11.010 -2.536 715 HA MET 95 HA MET 95 13.841 -9.415 -0.334 716 1HB MET 95 1HB MET 95 13.559 -12.251 -0.986 717 2HB MET 95 2HB MET 95 15.014 -11.923 -0.046 718 1HG MET 95 1HG MET 95 13.488 -10.510 1.482 719 2HG MET 95 2HG MET 95 12.146 -11.324 0.677 720 1HE MET 95 1HE MET 95 11.072 -12.427 1.850 721 2HE MET 95 2HE MET 95 11.416 -14.150 1.977 722 3HE MET 95 3HE MET 95 11.502 -13.133 3.414 723 H GLU 96 H GLU 96 15.501 -11.123 -2.978 724 HA GLU 96 HA GLU 96 18.161 -10.596 -2.038 725 1HB GLU 96 1HB GLU 96 17.892 -12.299 -3.696 726 2HB GLU 96 2HB GLU 96 17.035 -11.204 -4.780 727 1HG GLU 96 1HG GLU 96 19.651 -10.159 -4.031 728 2HG GLU 96 2HG GLU 96 19.773 -11.736 -4.812 729 H ALA 97 H ALA 97 15.873 -8.746 -3.983 730 HA ALA 97 HA ALA 97 17.773 -6.744 -4.841 731 1HB ALA 97 1HB ALA 97 14.846 -7.130 -4.925 732 2HB ALA 97 2HB ALA 97 15.358 -5.445 -4.839 733 3HB ALA 97 3HB ALA 97 15.929 -6.475 -6.153 734 H LYS 98 H LYS 98 15.557 -7.031 -2.080 735 HA LYS 98 HA LYS 98 15.970 -4.409 -1.023 736 1HB LYS 98 1HB LYS 98 14.169 -5.925 -0.249 737 2HB LYS 98 2HB LYS 98 15.381 -6.980 0.476 738 1HG LYS 98 1HG LYS 98 15.599 -4.137 1.247 739 2HG LYS 98 2HG LYS 98 14.136 -4.944 1.810 740 1HD LYS 98 1HD LYS 98 16.858 -6.207 2.146 741 2HD LYS 98 2HD LYS 98 16.213 -5.076 3.337 742 1HE LYS 98 1HE LYS 98 14.398 -6.490 3.874 743 2HE LYS 98 2HE LYS 98 14.593 -7.442 2.403 744 1HZ LYS 98 1HZ LYS 98 16.855 -8.045 3.344 745 2HZ LYS 98 2HZ LYS 98 16.288 -7.438 4.823 746 3HZ LYS 98 3HZ LYS 98 15.499 -8.750 4.086 747 H ARG 99 H ARG 99 18.080 -7.084 -1.256 748 HA ARG 99 HA ARG 99 19.726 -6.279 1.058 749 1HB ARG 99 1HB ARG 99 19.330 -8.705 0.119 750 2HB ARG 99 2HB ARG 99 20.603 -8.265 -1.019 751 1HG ARG 99 1HG ARG 99 21.137 -7.609 1.824 752 2HG ARG 99 2HG ARG 99 21.105 -9.327 1.426 753 1HD ARG 99 1HD ARG 99 23.070 -9.203 0.321 754 2HD ARG 99 2HD ARG 99 22.559 -7.769 -0.569 755 HE ARG 99 HE ARG 99 24.120 -6.732 0.881 756 1HH1 ARG 99 1HH1 ARG 99 23.015 -9.442 2.541 757 2HH1 ARG 99 2HH1 ARG 99 23.102 -8.726 4.116 758 1HH2 ARG 99 1HH2 ARG 99 23.803 -5.547 2.921 759 2HH2 ARG 99 2HH2 ARG 99 23.548 -6.519 4.331 760 H LYS 100 H LYS 100 20.181 -6.552 -2.488 761 HA LYS 100 HA LYS 100 22.708 -5.195 -2.502 762 1HB LYS 100 1HB LYS 100 22.441 -5.079 -4.895 763 2HB LYS 100 2HB LYS 100 21.768 -6.623 -4.370 764 1HG LYS 100 1HG LYS 100 19.508 -5.691 -4.417 765 2HG LYS 100 2HG LYS 100 20.148 -4.105 -4.852 766 1HD LYS 100 1HD LYS 100 20.892 -6.436 -6.570 767 2HD LYS 100 2HD LYS 100 19.259 -5.784 -6.717 768 1HE LYS 100 1HE LYS 100 20.305 -3.492 -6.982 769 2HE LYS 100 2HE LYS 100 21.869 -4.299 -7.098 770 1HZ LYS 100 1HZ LYS 100 19.640 -5.168 -8.811 771 2HZ LYS 100 2HZ LYS 100 20.537 -3.792 -9.235 772 3HZ LYS 100 3HZ LYS 100 21.314 -5.295 -9.077 773 H ALA 101 H ALA 101 19.512 -4.051 -2.062 774 HA ALA 101 HA ALA 101 20.066 -1.350 -3.081 775 1HB ALA 101 1HB ALA 101 17.754 -2.694 -2.848 776 2HB ALA 101 2HB ALA 101 17.744 -1.879 -1.284 777 3HB ALA 101 3HB ALA 101 17.822 -0.934 -2.771 778 H GLU 102 H GLU 102 20.152 -3.073 -0.035 779 HA GLU 102 HA GLU 102 20.300 -0.677 1.613 780 1HB GLU 102 1HB GLU 102 19.500 -2.713 2.638 781 2HB GLU 102 2HB GLU 102 20.958 -3.584 2.161 782 1HG GLU 102 1HG GLU 102 22.310 -2.400 3.697 783 2HG GLU 102 2HG GLU 102 21.105 -1.129 3.907 784 H GLU 103 H GLU 103 22.694 -3.089 0.490 785 HA GLU 103 HA GLU 103 25.007 -2.106 1.660 786 1HB GLU 103 1HB GLU 103 24.864 -4.071 0.091 787 2HB GLU 103 2HB GLU 103 24.811 -2.929 -1.253 788 1HG GLU 103 1HG GLU 103 26.975 -1.937 -0.258 789 2HG GLU 103 2HG GLU 103 27.062 -3.416 0.699 790 H HIS 104 H HIS 104 23.130 -0.655 -0.926 791 HA HIS 104 HA HIS 104 25.136 1.279 -1.708 792 1HB HIS 104 1HB HIS 104 22.224 0.862 -2.203 793 2HB HIS 104 2HB HIS 104 22.859 2.487 -2.458 794 HD1 HIS 104 HD1 HIS 104 24.426 2.858 -4.448 795 HD2 HIS 104 HD2 HIS 104 23.381 -1.145 -3.932 796 HE1 HIS 104 HE1 HIS 104 25.245 1.631 -6.507 797 H ILE 105 H ILE 105 22.130 1.647 0.217 798 HA ILE 105 HA ILE 105 23.111 4.229 1.239 799 HB ILE 105 HB ILE 105 20.649 2.882 2.292 800 1HG1 ILE 105 1HG1 ILE 105 21.021 4.024 -0.491 801 2HG1 ILE 105 2HG1 ILE 105 20.404 2.430 -0.054 802 1HG2 ILE 105 1HG2 ILE 105 21.654 5.238 2.873 803 2HG2 ILE 105 2HG2 ILE 105 20.936 5.715 1.333 804 3HG2 ILE 105 3HG2 ILE 105 19.915 5.076 2.621 805 1HD1 ILE 105 1HD1 ILE 105 18.582 3.810 1.250 806 2HD1 ILE 105 2HD1 ILE 105 19.051 5.102 0.145 807 3HD1 ILE 105 3HD1 ILE 105 18.424 3.582 -0.492 808 H SER 106 H SER 106 24.211 1.387 1.939 809 HA SER 106 HA SER 106 23.679 0.968 4.729 810 1HB SER 106 1HB SER 106 24.929 -0.510 2.878 811 2HB SER 106 2HB SER 106 26.346 0.243 3.605 812 HG SER 106 HG SER 106 24.645 -1.662 4.594 813 H SER 107 H SER 107 23.874 3.002 5.789 814 HA SER 107 HA SER 107 25.082 4.548 7.089 815 1HB SER 107 1HB SER 107 26.835 2.400 6.803 816 2HB SER 107 2HB SER 107 27.773 3.784 6.247 817 HG SER 107 HG SER 107 27.274 4.825 8.198 818 H SER 108 H SER 108 25.852 6.631 6.649 819 HA SER 108 HA SER 108 27.469 7.462 4.518 820 1HB SER 108 1HB SER 108 26.200 7.232 2.669 821 2HB SER 108 2HB SER 108 24.852 6.636 3.631 822 HG SER 108 HG SER 108 24.967 8.891 2.365 823 H HIS 109 H HIS 109 27.208 9.874 4.098 824 HA HIS 109 HA HIS 109 25.751 11.203 6.346 825 1HB HIS 109 1HB HIS 109 28.389 10.928 6.479 826 2HB HIS 109 2HB HIS 109 28.362 12.310 5.386 827 HD1 HIS 109 HD1 HIS 109 28.960 11.962 8.696 828 HD2 HIS 109 HD2 HIS 109 25.939 14.057 6.734 829 HE1 HIS 109 HE1 HIS 109 28.133 13.718 10.323 830 H GLY 110 H GLY 110 24.535 12.926 5.688 831 1HA GLY 110 1HA GLY 110 25.014 14.919 3.889 832 2HA GLY 110 2HA GLY 110 24.511 13.601 2.830 833 H ASP 111 H ASP 111 22.963 15.896 2.939 834 HA ASP 111 HA ASP 111 20.699 15.269 4.757 835 1HB ASP 111 1HB ASP 111 20.939 17.619 2.865 836 2HB ASP 111 2HB ASP 111 19.879 17.464 4.267 837 H VAL 112 H VAL 112 21.201 16.035 1.287 838 HA VAL 112 HA VAL 112 18.848 14.275 0.722 839 HB VAL 112 HB VAL 112 18.312 15.725 -1.178 840 1HG1 VAL 112 1HG1 VAL 112 18.631 16.957 1.547 841 2HG1 VAL 112 2HG1 VAL 112 17.991 17.922 0.216 842 3HG1 VAL 112 3HG1 VAL 112 17.156 16.454 0.722 843 1HG2 VAL 112 1HG2 VAL 112 20.839 16.383 -1.384 844 2HG2 VAL 112 2HG2 VAL 112 19.612 17.573 -1.816 845 3HG2 VAL 112 3HG2 VAL 112 20.419 17.667 -0.251 846 H ASP 113 H ASP 113 22.153 14.978 0.080 847 HA ASP 113 HA ASP 113 22.623 14.028 -2.490 848 1HB ASP 113 1HB ASP 113 24.140 13.673 0.090 849 2HB ASP 113 2HB ASP 113 24.748 12.983 -1.417 850 H TYR 114 H TYR 114 23.661 11.672 -0.134 851 HA TYR 114 HA TYR 114 22.500 9.513 -1.708 852 1HB TYR 114 1HB TYR 114 24.545 9.773 0.248 853 2HB TYR 114 2HB TYR 114 23.353 8.653 0.907 854 HD1 TYR 114 HD1 TYR 114 25.390 9.364 -2.146 855 HD2 TYR 114 HD2 TYR 114 23.226 6.431 0.127 856 HE1 TYR 114 HE1 TYR 114 26.238 7.577 -3.642 857 HE2 TYR 114 HE2 TYR 114 24.075 4.645 -1.369 858 HH TYR 114 HH TYR 114 26.397 4.548 -2.980 859 H ALA 115 H ALA 115 21.414 11.556 0.771 860 HA ALA 115 HA ALA 115 19.612 9.733 2.115 861 1HB ALA 115 1HB ALA 115 20.309 12.574 2.205 862 2HB ALA 115 2HB ALA 115 18.582 12.295 2.438 863 3HB ALA 115 3HB ALA 115 19.751 11.515 3.504 864 H GLN 116 H GLN 116 19.604 10.986 -0.989 865 HA GLN 116 HA GLN 116 16.697 11.375 -1.198 866 1HB GLN 116 1HB GLN 116 18.986 12.104 -2.742 867 2HB GLN 116 2HB GLN 116 17.943 11.113 -3.763 868 1HG GLN 116 1HG GLN 116 16.154 12.770 -2.425 869 2HG GLN 116 2HG GLN 116 17.521 13.830 -2.776 870 1HE2 GLN 116 2HE2 GLN 116 14.680 12.589 -4.117 871 2HE2 GLN 116 1HE2 GLN 116 15.037 12.852 -5.756 872 H ALA 117 H ALA 117 19.081 8.876 -1.874 873 HA ALA 117 HA ALA 117 17.290 7.215 -3.441 874 1HB ALA 117 1HB ALA 117 19.981 7.208 -3.027 875 2HB ALA 117 2HB ALA 117 19.486 5.906 -1.946 876 3HB ALA 117 3HB ALA 117 19.089 5.825 -3.662 877 H SER 118 H SER 118 17.636 7.861 -0.089 878 HA SER 118 HA SER 118 16.710 5.322 0.932 879 1HB SER 118 1HB SER 118 17.759 7.553 2.085 880 2HB SER 118 2HB SER 118 16.053 7.771 2.464 881 HG SER 118 HG SER 118 17.675 6.303 3.779 882 H ALA 119 H ALA 119 15.129 8.042 -0.535 883 HA ALA 119 HA ALA 119 12.486 7.336 0.550 884 1HB ALA 119 1HB ALA 119 13.584 9.471 -1.231 885 2HB ALA 119 2HB ALA 119 11.870 9.082 -1.374 886 3HB ALA 119 3HB ALA 119 12.526 9.614 0.173 887 H GLU 120 H GLU 120 14.396 6.710 -2.316 888 HA GLU 120 HA GLU 120 12.116 5.702 -3.854 889 1HB GLU 120 1HB GLU 120 15.105 5.501 -4.327 890 2HB GLU 120 2HB GLU 120 13.866 4.994 -5.477 891 1HG GLU 120 1HG GLU 120 13.662 7.761 -4.381 892 2HG GLU 120 2HG GLU 120 14.944 7.446 -5.551 893 H LEU 121 H LEU 121 14.549 4.406 -1.694 894 HA LEU 121 HA LEU 121 14.124 1.631 -2.468 895 1HB LEU 121 1HB LEU 121 15.966 3.039 -0.860 896 2HB LEU 121 2HB LEU 121 15.126 1.934 0.229 897 HG LEU 121 HG LEU 121 17.101 0.852 -0.787 898 1HD1 LEU 121 1HD1 LEU 121 14.322 -0.094 -1.395 899 2HD1 LEU 121 2HD1 LEU 121 15.689 -1.016 -2.021 900 3HD1 LEU 121 3HD1 LEU 121 15.513 -0.769 -0.284 901 1HD2 LEU 121 1HD2 LEU 121 15.887 2.008 -3.209 902 2HD2 LEU 121 2HD2 LEU 121 17.563 1.552 -2.899 903 3HD2 LEU 121 3HD2 LEU 121 16.394 0.328 -3.398 904 H ALA 122 H ALA 122 13.302 3.437 0.522 905 HA ALA 122 HA ALA 122 11.718 1.542 1.786 906 1HB ALA 122 1HB ALA 122 12.261 4.047 2.405 907 2HB ALA 122 2HB ALA 122 10.703 4.364 1.644 908 3HB ALA 122 3HB ALA 122 10.802 3.285 3.036 909 H LYS 123 H LYS 123 11.000 3.290 -1.143 910 HA LYS 123 HA LYS 123 8.153 2.906 -1.157 911 1HB LYS 123 1HB LYS 123 10.238 3.717 -3.081 912 2HB LYS 123 2HB LYS 123 8.841 2.925 -3.811 913 1HG LYS 123 1HG LYS 123 7.709 4.650 -1.947 914 2HG LYS 123 2HG LYS 123 9.046 5.585 -2.620 915 1HD LYS 123 1HD LYS 123 7.647 4.141 -4.710 916 2HD LYS 123 2HD LYS 123 6.533 5.165 -3.802 917 1HE LYS 123 1HE LYS 123 9.104 6.028 -5.153 918 2HE LYS 123 2HE LYS 123 7.463 6.483 -5.611 919 1HZ LYS 123 1HZ LYS 123 7.908 7.059 -2.881 920 2HZ LYS 123 2HZ LYS 123 9.130 7.776 -3.820 921 3HZ LYS 123 3HZ LYS 123 7.497 8.119 -4.140 922 H ALA 124 H ALA 124 10.788 1.044 -2.708 923 HA ALA 124 HA ALA 124 9.014 -1.014 -3.686 924 1HB ALA 124 1HB ALA 124 11.852 -0.425 -3.753 925 2HB ALA 124 2HB ALA 124 11.577 -2.135 -3.419 926 3HB ALA 124 3HB ALA 124 10.892 -1.397 -4.868 927 H ILE 125 H ILE 125 10.882 -0.600 -0.716 928 HA ILE 125 HA ILE 125 10.708 -3.265 0.259 929 HB ILE 125 HB ILE 125 10.598 -0.741 1.930 930 1HG1 ILE 125 1HG1 ILE 125 12.436 -0.567 0.327 931 2HG1 ILE 125 2HG1 ILE 125 13.091 -0.923 1.925 932 1HG2 ILE 125 1HG2 ILE 125 10.206 -2.991 3.028 933 2HG2 ILE 125 2HG2 ILE 125 11.834 -3.442 2.520 934 3HG2 ILE 125 3HG2 ILE 125 11.601 -2.104 3.645 935 1HD1 ILE 125 1HD1 ILE 125 12.643 -3.445 0.934 936 2HD1 ILE 125 2HD1 ILE 125 13.118 -2.565 -0.519 937 3HD1 ILE 125 3HD1 ILE 125 14.194 -2.609 0.877 938 H ALA 126 H ALA 126 8.240 -0.952 -0.244 939 HA ALA 126 HA ALA 126 6.443 -1.755 1.868 940 1HB ALA 126 1HB ALA 126 6.255 -0.163 -0.641 941 2HB ALA 126 2HB ALA 126 4.749 -0.842 -0.022 942 3HB ALA 126 3HB ALA 126 5.711 0.237 0.988 943 H GLN 127 H GLN 127 6.706 -2.688 -1.572 944 HA GLN 127 HA GLN 127 4.570 -4.640 -1.375 945 1HB GLN 127 1HB GLN 127 5.221 -3.558 -3.517 946 2HB GLN 127 2HB GLN 127 6.772 -4.396 -3.447 947 1HG GLN 127 1HG GLN 127 4.639 -6.289 -3.039 948 2HG GLN 127 2HG GLN 127 4.341 -5.374 -4.517 949 1HE2 GLN 127 2HE2 GLN 127 6.963 -4.911 -5.431 950 2HE2 GLN 127 1HE2 GLN 127 7.711 -6.394 -5.780 951 H LEU 128 H LEU 128 7.982 -4.664 -0.702 952 HA LEU 128 HA LEU 128 8.311 -7.545 -0.903 953 1HB LEU 128 1HB LEU 128 10.300 -6.239 -1.100 954 2HB LEU 128 2HB LEU 128 9.947 -5.347 0.378 955 HG LEU 128 HG LEU 128 10.219 -8.326 0.535 956 1HD1 LEU 128 1HD1 LEU 128 12.173 -7.434 -0.799 957 2HD1 LEU 128 2HD1 LEU 128 12.583 -6.434 0.594 958 3HD1 LEU 128 3HD1 LEU 128 12.618 -8.191 0.731 959 1HD2 LEU 128 1HD2 LEU 128 9.743 -6.304 2.350 960 2HD2 LEU 128 2HD2 LEU 128 10.372 -7.899 2.762 961 3HD2 LEU 128 3HD2 LEU 128 11.481 -6.551 2.515 962 H ARG 129 H ARG 129 6.833 -5.489 1.383 963 HA ARG 129 HA ARG 129 7.305 -7.302 3.663 964 1HB ARG 129 1HB ARG 129 6.960 -4.648 3.618 965 2HB ARG 129 2HB ARG 129 5.269 -5.121 3.781 966 1HG ARG 129 1HG ARG 129 6.666 -6.762 5.584 967 2HG ARG 129 2HG ARG 129 7.370 -5.157 5.778 968 1HD ARG 129 1HD ARG 129 5.295 -4.183 6.342 969 2HD ARG 129 2HD ARG 129 4.381 -5.537 5.680 970 HE ARG 129 HE ARG 129 6.108 -6.014 8.055 971 1HH1 ARG 129 1HH1 ARG 129 3.066 -4.806 7.375 972 2HH1 ARG 129 2HH1 ARG 129 2.192 -5.985 8.293 973 1HH2 ARG 129 1HH2 ARG 129 4.968 -7.977 8.880 974 2HH2 ARG 129 2HH2 ARG 129 3.268 -7.781 9.142 975 H VAL 130 H VAL 130 4.524 -6.190 1.714 976 HA VAL 130 HA VAL 130 2.591 -7.875 2.967 977 HB VAL 130 HB VAL 130 1.275 -7.524 0.876 978 1HG1 VAL 130 1HG1 VAL 130 1.810 -5.747 2.814 979 2HG1 VAL 130 2HG1 VAL 130 2.505 -4.870 1.450 980 3HG1 VAL 130 3HG1 VAL 130 0.804 -5.337 1.424 981 1HG2 VAL 130 1HG2 VAL 130 3.183 -7.609 -0.699 982 2HG2 VAL 130 2HG2 VAL 130 2.251 -6.124 -0.899 983 3HG2 VAL 130 3HG2 VAL 130 3.789 -6.091 -0.035 984 H ILE 131 H ILE 131 4.761 -8.424 0.211 985 HA ILE 131 HA ILE 131 3.664 -10.955 -0.564 986 HB ILE 131 HB ILE 131 5.178 -9.734 -2.035 987 1HG1 ILE 131 1HG1 ILE 131 5.122 -12.350 -1.872 988 2HG1 ILE 131 2HG1 ILE 131 6.375 -11.580 -2.841 989 1HG2 ILE 131 1HG2 ILE 131 6.549 -8.707 -0.234 990 2HG2 ILE 131 2HG2 ILE 131 7.304 -10.273 0.060 991 3HG2 ILE 131 3HG2 ILE 131 7.546 -9.453 -1.482 992 1HD1 ILE 131 1HD1 ILE 131 7.198 -11.842 -0.055 993 2HD1 ILE 131 2HD1 ILE 131 6.779 -13.403 -0.757 994 3HD1 ILE 131 3HD1 ILE 131 8.011 -12.396 -1.516 995 H GLU 132 H GLU 132 5.557 -9.992 2.140 996 HA GLU 132 HA GLU 132 6.702 -12.643 2.629 997 1HB GLU 132 1HB GLU 132 7.134 -10.002 3.594 998 2HB GLU 132 2HB GLU 132 6.705 -11.004 4.982 999 1HG GLU 132 1HG GLU 132 8.573 -12.286 3.096 1000 2HG GLU 132 2HG GLU 132 9.222 -10.855 3.898 1001 H LEU 133 H LEU 133 3.723 -11.041 3.321 1002 HA LEU 133 HA LEU 133 3.119 -12.826 5.595 1003 1HB LEU 133 1HB LEU 133 1.269 -11.459 6.012 1004 2HB LEU 133 2HB LEU 133 2.405 -10.314 5.302 1005 HG LEU 133 HG LEU 133 1.243 -11.142 3.040 1006 1HD1 LEU 133 1HD1 LEU 133 -0.201 -12.661 4.671 1007 2HD1 LEU 133 2HD1 LEU 133 -1.142 -11.180 4.854 1008 3HD1 LEU 133 3HD1 LEU 133 -0.937 -11.904 3.258 1009 1HD2 LEU 133 1HD2 LEU 133 0.717 -8.980 4.977 1010 2HD2 LEU 133 2HD2 LEU 133 0.990 -8.889 3.237 1011 3HD2 LEU 133 3HD2 LEU 133 -0.612 -9.281 3.858 1012 H THR 134 H THR 134 2.541 -12.595 2.174 1013 HA THR 134 HA THR 134 0.251 -14.350 2.059 1014 HB THR 134 HB THR 134 0.935 -12.822 0.202 1015 HG1 THR 134 HG1 THR 134 0.969 -15.563 -0.516 1016 1HG2 THR 134 1HG2 THR 134 3.416 -14.219 0.568 1017 2HG2 THR 134 2HG2 THR 134 2.854 -14.472 -1.085 1018 3HG2 THR 134 3HG2 THR 134 3.079 -12.833 -0.470 1019 H LYS 135 H LYS 135 3.423 -14.942 2.962 1020 HA LYS 135 HA LYS 135 4.116 -17.365 1.719 1021 1HB LYS 135 1HB LYS 135 5.397 -17.863 3.775 1022 2HB LYS 135 2HB LYS 135 5.604 -16.181 3.285 1023 1HG LYS 135 1HG LYS 135 4.629 -15.407 5.170 1024 2HG LYS 135 2HG LYS 135 3.299 -16.560 5.046 1025 1HD LYS 135 1HD LYS 135 6.075 -17.186 6.100 1026 2HD LYS 135 2HD LYS 135 4.631 -16.960 7.089 1027 1HE LYS 135 1HE LYS 135 4.034 -19.103 6.760 1028 2HE LYS 135 2HE LYS 135 4.054 -18.864 5.013 1029 1HZ LYS 135 1HZ LYS 135 6.698 -18.960 5.898 1030 2HZ LYS 135 2HZ LYS 135 5.885 -20.278 6.598 1031 3HZ LYS 135 3HZ LYS 135 5.882 -20.079 4.913 1032 H LYS 136 H LYS 136 1.537 -16.711 3.939 1033 HA LYS 136 HA LYS 136 1.076 -19.654 4.221 1034 1HB LYS 136 1HB LYS 136 0.250 -17.338 5.990 1035 2HB LYS 136 2HB LYS 136 -0.388 -18.972 6.177 1036 1HG LYS 136 1HG LYS 136 2.306 -19.456 6.040 1037 2HG LYS 136 2HG LYS 136 2.270 -17.903 6.879 1038 1HD LYS 136 1HD LYS 136 0.248 -19.247 8.146 1039 2HD LYS 136 2HD LYS 136 1.378 -20.558 7.803 1040 1HE LYS 136 1HE LYS 136 3.173 -19.402 8.929 1041 2HE LYS 136 2HE LYS 136 2.193 -17.946 9.101 1042 1HZ LYS 136 1HZ LYS 136 0.674 -19.919 10.212 1043 2HZ LYS 136 2HZ LYS 136 2.249 -20.298 10.721 1044 3HZ LYS 136 3HZ LYS 136 1.589 -18.769 11.058 1045 H ALA 137 H ALA 137 -0.054 -16.794 2.766 1046 HA ALA 137 HA ALA 137 -2.815 -16.928 2.723 1047 1HB ALA 137 1HB ALA 137 -1.117 -15.469 1.317 1048 2HB ALA 137 2HB ALA 137 -1.400 -16.700 0.086 1049 3HB ALA 137 3HB ALA 137 -2.749 -15.752 0.712 1050 H MET 138 H MET 138 -0.728 -18.743 0.436 1051 HA MET 138 HA MET 138 -2.643 -20.998 0.578 1052 1HB MET 138 1HB MET 138 -2.743 -21.131 -1.917 1053 2HB MET 138 2HB MET 138 -3.503 -19.670 -1.284 1054 1HG MET 138 1HG MET 138 -1.888 -18.293 -2.146 1055 2HG MET 138 2HG MET 138 -0.604 -19.477 -1.903 1056 1HE MET 138 1HE MET 138 -3.612 -18.331 -3.874 1057 2HE MET 138 2HE MET 138 -3.695 -19.370 -5.295 1058 3HE MET 138 3HE MET 138 -4.109 -20.022 -3.711 Start of MODEL 13 1 1H ALA 1 1H ALA 1 -24.225 -4.390 7.405 2 2H ALA 1 2H ALA 1 -24.919 -2.979 8.045 3 3H ALA 1 3H ALA 1 -25.573 -3.683 6.648 4 HA ALA 1 HA ALA 1 -23.866 -2.978 5.296 5 1HB ALA 1 1HB ALA 1 -24.292 -0.928 7.483 6 2HB ALA 1 2HB ALA 1 -23.416 -0.576 5.992 7 3HB ALA 1 3HB ALA 1 -25.120 -1.029 5.930 8 H MET 2 H MET 2 -22.483 -1.307 8.053 9 HA MET 2 HA MET 2 -20.223 -1.236 8.733 10 1HB MET 2 1HB MET 2 -21.145 -4.075 8.881 11 2HB MET 2 2HB MET 2 -19.423 -3.763 9.109 12 1HG MET 2 1HG MET 2 -19.745 -2.683 11.098 13 2HG MET 2 2HG MET 2 -21.262 -1.955 10.573 14 1HE MET 2 1HE MET 2 -21.281 -2.714 13.377 15 2HE MET 2 2HE MET 2 -22.755 -2.307 12.500 16 3HE MET 2 3HE MET 2 -22.716 -3.721 13.562 17 H THR 3 H THR 3 -20.232 -0.745 6.086 18 HA THR 3 HA THR 3 -17.671 -1.533 5.165 19 HB THR 3 HB THR 3 -18.739 -3.800 4.985 20 HG1 THR 3 HG1 THR 3 -17.272 -3.771 3.483 21 1HG2 THR 3 1HG2 THR 3 -21.022 -2.849 4.488 22 2HG2 THR 3 2HG2 THR 3 -20.440 -2.489 2.862 23 3HG2 THR 3 3HG2 THR 3 -20.529 -4.162 3.419 24 H TYR 4 H TYR 4 -17.174 -0.029 3.687 25 HA TYR 4 HA TYR 4 -19.399 1.271 2.189 26 1HB TYR 4 1HB TYR 4 -17.795 3.165 1.889 27 2HB TYR 4 2HB TYR 4 -18.145 2.838 3.585 28 HD1 TYR 4 HD1 TYR 4 -15.671 2.099 0.876 29 HD2 TYR 4 HD2 TYR 4 -16.412 2.332 5.097 30 HE1 TYR 4 HE1 TYR 4 -13.273 1.766 1.303 31 HE2 TYR 4 HE2 TYR 4 -13.992 1.995 5.533 32 HH TYR 4 HH TYR 4 -12.054 1.135 4.492 33 H HIS 5 H HIS 5 -17.749 2.423 0.185 34 HA HIS 5 HA HIS 5 -16.828 -0.038 -1.249 35 1HB HIS 5 1HB HIS 5 -18.767 0.784 -2.375 36 2HB HIS 5 2HB HIS 5 -18.242 2.456 -2.216 37 HD1 HIS 5 HD1 HIS 5 -15.684 2.794 -3.479 38 HD2 HIS 5 HD2 HIS 5 -18.293 -0.120 -4.900 39 HE1 HIS 5 HE1 HIS 5 -14.906 2.218 -5.818 40 H LEU 6 H LEU 6 -14.792 0.132 -2.356 41 HA LEU 6 HA LEU 6 -13.493 2.788 -2.178 42 1HB LEU 6 1HB LEU 6 -11.589 2.094 -1.082 43 2HB LEU 6 2HB LEU 6 -12.786 1.068 -0.304 44 HG LEU 6 HG LEU 6 -12.266 -0.581 -2.234 45 1HD1 LEU 6 1HD1 LEU 6 -10.235 1.532 -2.556 46 2HD1 LEU 6 2HD1 LEU 6 -9.578 -0.105 -2.535 47 3HD1 LEU 6 3HD1 LEU 6 -10.808 0.338 -3.720 48 1HD2 LEU 6 1HD2 LEU 6 -10.903 -0.031 0.302 49 2HD2 LEU 6 2HD2 LEU 6 -11.519 -1.555 -0.336 50 3HD2 LEU 6 3HD2 LEU 6 -9.929 -0.974 -0.825 51 H ASP 7 H ASP 7 -11.607 2.977 -3.667 52 HA ASP 7 HA ASP 7 -11.513 0.942 -5.814 53 1HB ASP 7 1HB ASP 7 -13.097 3.295 -6.040 54 2HB ASP 7 2HB ASP 7 -11.688 3.515 -7.079 55 H VAL 8 H VAL 8 -9.304 0.632 -5.304 56 HA VAL 8 HA VAL 8 -7.544 3.028 -5.452 57 HB VAL 8 HB VAL 8 -7.099 1.648 -3.530 58 1HG1 VAL 8 1HG1 VAL 8 -7.775 -0.470 -5.385 59 2HG1 VAL 8 2HG1 VAL 8 -6.240 -0.818 -4.590 60 3HG1 VAL 8 3HG1 VAL 8 -7.687 -0.525 -3.624 61 1HG2 VAL 8 1HG2 VAL 8 -5.202 2.161 -5.543 62 2HG2 VAL 8 2HG2 VAL 8 -4.871 1.814 -3.845 63 3HG2 VAL 8 3HG2 VAL 8 -4.890 0.503 -5.026 64 H VAL 9 H VAL 9 -6.883 3.470 -7.502 65 HA VAL 9 HA VAL 9 -6.102 1.153 -9.227 66 HB VAL 9 HB VAL 9 -6.840 2.494 -11.177 67 1HG1 VAL 9 1HG1 VAL 9 -8.375 0.958 -9.670 68 2HG1 VAL 9 2HG1 VAL 9 -9.166 2.486 -9.283 69 3HG1 VAL 9 3HG1 VAL 9 -9.087 1.932 -10.956 70 1HG2 VAL 9 1HG2 VAL 9 -7.765 4.417 -9.019 71 2HG2 VAL 9 2HG2 VAL 9 -6.540 4.730 -10.248 72 3HG2 VAL 9 3HG2 VAL 9 -8.229 4.528 -10.716 73 H SER 10 H SER 10 -4.340 1.630 -10.736 74 HA SER 10 HA SER 10 -2.868 4.145 -10.412 75 1HB SER 10 1HB SER 10 -1.817 3.240 -8.551 76 2HB SER 10 2HB SER 10 -1.998 1.585 -9.126 77 HG SER 10 HG SER 10 -0.302 3.546 -10.289 78 H ALA 11 H ALA 11 -3.306 4.132 -12.727 79 HA ALA 11 HA ALA 11 -2.716 3.720 -14.961 80 1HB ALA 11 1HB ALA 11 -0.280 3.203 -13.360 81 2HB ALA 11 2HB ALA 11 -0.288 2.476 -14.967 82 3HB ALA 11 3HB ALA 11 -0.497 4.219 -14.786 83 H GLU 12 H GLU 12 -3.998 1.561 -13.194 84 HA GLU 12 HA GLU 12 -4.333 -0.436 -15.159 85 1HB GLU 12 1HB GLU 12 -2.985 -2.294 -14.130 86 2HB GLU 12 2HB GLU 12 -1.999 -1.022 -14.851 87 1HG GLU 12 1HG GLU 12 -2.413 -0.139 -12.241 88 2HG GLU 12 2HG GLU 12 -2.160 -1.875 -12.065 89 H GLN 13 H GLN 13 -6.463 -0.159 -14.283 90 HA GLN 13 HA GLN 13 -7.161 -0.490 -11.546 91 1HB GLN 13 1HB GLN 13 -8.729 0.416 -13.214 92 2HB GLN 13 2HB GLN 13 -8.789 -1.151 -14.020 93 1HG GLN 13 1HG GLN 13 -9.408 -1.949 -11.529 94 2HG GLN 13 2HG GLN 13 -10.020 -0.296 -11.445 95 1HE2 GLN 13 2HE2 GLN 13 -10.683 -3.467 -12.656 96 2HE2 GLN 13 1HE2 GLN 13 -12.061 -3.067 -13.563 97 H GLN 14 H GLN 14 -6.049 -2.284 -10.663 98 HA GLN 14 HA GLN 14 -7.344 -4.862 -11.093 99 1HB GLN 14 1HB GLN 14 -5.260 -4.358 -12.796 100 2HB GLN 14 2HB GLN 14 -4.423 -5.124 -11.446 101 1HG GLN 14 1HG GLN 14 -6.759 -6.645 -11.832 102 2HG GLN 14 2HG GLN 14 -6.129 -6.335 -13.450 103 1HE2 GLN 14 2HE2 GLN 14 -4.481 -7.722 -14.116 104 2HE2 GLN 14 1HE2 GLN 14 -3.511 -8.649 -13.076 105 H MET 15 H MET 15 -7.255 -3.342 -8.806 106 HA MET 15 HA MET 15 -5.474 -4.989 -7.072 107 1HB MET 15 1HB MET 15 -5.841 -1.981 -6.935 108 2HB MET 15 2HB MET 15 -5.062 -2.942 -5.678 109 1HG MET 15 1HG MET 15 -3.438 -3.775 -7.398 110 2HG MET 15 2HG MET 15 -4.161 -2.659 -8.557 111 1HE MET 15 1HE MET 15 -1.292 -3.125 -7.531 112 2HE MET 15 2HE MET 15 -0.550 -1.777 -6.658 113 3HE MET 15 3HE MET 15 -1.430 -3.024 -5.778 114 H PHE 16 H PHE 16 -8.124 -2.578 -7.014 115 HA PHE 16 HA PHE 16 -9.861 -4.395 -5.564 116 1HB PHE 16 1HB PHE 16 -8.212 -3.510 -3.802 117 2HB PHE 16 2HB PHE 16 -8.992 -1.945 -4.025 118 HD1 PHE 16 HD1 PHE 16 -9.468 -5.420 -2.860 119 HD2 PHE 16 HD2 PHE 16 -11.277 -1.560 -3.317 120 HE1 PHE 16 HE1 PHE 16 -11.329 -6.110 -1.374 121 HE2 PHE 16 HE2 PHE 16 -13.127 -2.229 -1.838 122 HZ PHE 16 HZ PHE 16 -13.163 -4.519 -0.862 123 H SER 17 H SER 17 -11.918 -3.826 -6.102 124 HA SER 17 HA SER 17 -12.727 -1.030 -6.308 125 1HB SER 17 1HB SER 17 -13.377 -1.146 -8.692 126 2HB SER 17 2HB SER 17 -11.638 -1.329 -8.495 127 HG SER 17 HG SER 17 -11.817 -3.222 -9.368 128 H GLY 18 H GLY 18 -14.357 -1.615 -4.838 129 1HA GLY 18 1HA GLY 18 -16.861 -2.374 -5.742 130 2HA GLY 18 2HA GLY 18 -16.096 -3.901 -5.301 131 H LEU 19 H LEU 19 -17.425 -4.282 -3.480 132 HA LEU 19 HA LEU 19 -17.893 -2.290 -1.452 133 1HB LEU 19 1HB LEU 19 -18.020 -5.309 -1.201 134 2HB LEU 19 2HB LEU 19 -18.782 -4.134 -0.126 135 HG LEU 19 HG LEU 19 -19.462 -4.770 -2.996 136 1HD1 LEU 19 1HD1 LEU 19 -20.869 -4.740 -0.339 137 2HD1 LEU 19 2HD1 LEU 19 -21.800 -4.592 -1.829 138 3HD1 LEU 19 3HD1 LEU 19 -20.806 -6.023 -1.548 139 1HD2 LEU 19 1HD2 LEU 19 -19.187 -2.293 -2.788 140 2HD2 LEU 19 2HD2 LEU 19 -20.871 -2.754 -3.054 141 3HD2 LEU 19 3HD2 LEU 19 -20.325 -2.304 -1.439 142 H VAL 20 H VAL 20 -17.082 -2.642 0.881 143 HA VAL 20 HA VAL 20 -14.652 -4.021 1.422 144 HB VAL 20 HB VAL 20 -13.289 -2.792 0.052 145 1HG1 VAL 20 1HG1 VAL 20 -15.527 -0.807 0.121 146 2HG1 VAL 20 2HG1 VAL 20 -13.943 -0.286 -0.440 147 3HG1 VAL 20 3HG1 VAL 20 -14.777 -1.596 -1.265 148 1HG2 VAL 20 1HG2 VAL 20 -13.718 -0.851 2.336 149 2HG2 VAL 20 2HG2 VAL 20 -12.437 -2.063 2.178 150 3HG2 VAL 20 3HG2 VAL 20 -12.466 -0.658 1.111 151 H GLU 21 H GLU 21 -13.832 -3.437 3.589 152 HA GLU 21 HA GLU 21 -15.335 -1.329 5.015 153 1HB GLU 21 1HB GLU 21 -16.817 -3.245 5.225 154 2HB GLU 21 2HB GLU 21 -15.485 -4.258 5.776 155 1HG GLU 21 1HG GLU 21 -15.287 -2.243 7.571 156 2HG GLU 21 2HG GLU 21 -17.019 -2.180 7.246 157 H LYS 22 H LYS 22 -12.968 -4.012 5.363 158 HA LYS 22 HA LYS 22 -11.682 -2.393 7.512 159 1HB LYS 22 1HB LYS 22 -12.343 -5.047 7.497 160 2HB LYS 22 2HB LYS 22 -10.646 -5.102 7.016 161 1HG LYS 22 1HG LYS 22 -11.689 -3.582 9.423 162 2HG LYS 22 2HG LYS 22 -10.955 -5.185 9.498 163 1HD LYS 22 1HD LYS 22 -8.903 -4.237 8.415 164 2HD LYS 22 2HD LYS 22 -9.634 -2.635 8.526 165 1HE LYS 22 1HE LYS 22 -9.944 -3.594 11.090 166 2HE LYS 22 2HE LYS 22 -8.383 -4.270 10.624 167 1HZ LYS 22 1HZ LYS 22 -8.416 -1.662 9.705 168 2HZ LYS 22 2HZ LYS 22 -9.037 -1.600 11.285 169 3HZ LYS 22 3HZ LYS 22 -7.511 -2.285 11.002 170 H ILE 23 H ILE 23 -10.743 -0.976 5.765 171 HA ILE 23 HA ILE 23 -8.414 -2.276 4.402 172 HB ILE 23 HB ILE 23 -8.433 -0.510 2.842 173 1HG1 ILE 23 1HG1 ILE 23 -10.200 1.087 4.725 174 2HG1 ILE 23 2HG1 ILE 23 -8.458 1.306 4.570 175 1HG2 ILE 23 1HG2 ILE 23 -10.820 -1.860 3.383 176 2HG2 ILE 23 2HG2 ILE 23 -11.305 -0.179 3.166 177 3HG2 ILE 23 3HG2 ILE 23 -10.413 -1.010 1.893 178 1HD1 ILE 23 1HD1 ILE 23 -8.776 1.776 2.136 179 2HD1 ILE 23 2HD1 ILE 23 -10.519 1.681 2.377 180 3HD1 ILE 23 3HD1 ILE 23 -9.586 2.950 3.170 181 H GLN 24 H GLN 24 -6.287 -1.388 4.825 182 HA GLN 24 HA GLN 24 -6.119 0.721 6.901 183 1HB GLN 24 1HB GLN 24 -6.193 -1.527 8.042 184 2HB GLN 24 2HB GLN 24 -4.692 -1.931 7.208 185 1HG GLN 24 1HG GLN 24 -3.617 0.068 8.226 186 2HG GLN 24 2HG GLN 24 -5.106 0.390 9.114 187 1HE2 GLN 24 2HE2 GLN 24 -2.118 -1.027 9.491 188 2HE2 GLN 24 1HE2 GLN 24 -2.495 -2.153 10.703 189 H VAL 25 H VAL 25 -4.527 2.121 6.379 190 HA VAL 25 HA VAL 25 -2.473 1.231 4.407 191 HB VAL 25 HB VAL 25 -3.081 4.084 5.209 192 1HG1 VAL 25 1HG1 VAL 25 -1.182 2.814 3.503 193 2HG1 VAL 25 2HG1 VAL 25 -2.323 3.682 2.476 194 3HG1 VAL 25 3HG1 VAL 25 -1.443 4.543 3.738 195 1HG2 VAL 25 1HG2 VAL 25 -4.841 2.281 3.902 196 2HG2 VAL 25 2HG2 VAL 25 -5.018 4.030 4.058 197 3HG2 VAL 25 3HG2 VAL 25 -4.194 3.348 2.655 198 H THR 26 H THR 26 -0.352 1.158 5.044 199 HA THR 26 HA THR 26 0.323 2.344 7.705 200 HB THR 26 HB THR 26 1.738 -0.085 6.650 201 HG1 THR 26 HG1 THR 26 -0.445 -0.620 6.561 202 1HG2 THR 26 1HG2 THR 26 1.076 1.024 9.388 203 2HG2 THR 26 2HG2 THR 26 1.875 -0.526 9.123 204 3HG2 THR 26 3HG2 THR 26 2.662 0.970 8.618 205 H GLY 27 H GLY 27 2.030 3.733 7.643 206 1HA GLY 27 1HA GLY 27 4.143 3.396 5.617 207 2HA GLY 27 2HA GLY 27 3.198 4.880 5.485 208 H SER 28 H SER 28 4.387 6.522 6.335 209 HA SER 28 HA SER 28 5.959 5.971 8.816 210 1HB SER 28 1HB SER 28 7.534 7.489 8.100 211 2HB SER 28 2HB SER 28 6.909 7.006 6.525 212 HG SER 28 HG SER 28 6.625 9.116 6.408 213 H GLU 29 H GLU 29 3.256 7.696 7.548 214 HA GLU 29 HA GLU 29 2.729 8.817 10.222 215 1HB GLU 29 1HB GLU 29 4.108 10.528 8.930 216 2HB GLU 29 2HB GLU 29 2.743 10.659 7.820 217 1HG GLU 29 1HG GLU 29 1.611 11.972 9.257 218 2HG GLU 29 2HG GLU 29 1.840 10.817 10.571 219 H GLY 30 H GLY 30 0.493 9.292 10.519 220 1HA GLY 30 1HA GLY 30 -1.791 9.495 9.799 221 2HA GLY 30 2HA GLY 30 -1.316 8.908 8.205 222 H GLU 31 H GLU 31 -0.626 6.562 8.128 223 HA GLU 31 HA GLU 31 -1.116 4.303 8.514 224 1HB GLU 31 1HB GLU 31 -0.642 5.502 11.094 225 2HB GLU 31 2HB GLU 31 -1.893 4.267 11.233 226 1HG GLU 31 1HG GLU 31 -0.104 2.853 11.376 227 2HG GLU 31 2HG GLU 31 -0.130 2.981 9.616 228 H LEU 32 H LEU 32 -2.976 2.939 9.817 229 HA LEU 32 HA LEU 32 -5.260 2.422 9.859 230 1HB LEU 32 1HB LEU 32 -5.239 5.376 10.389 231 2HB LEU 32 2HB LEU 32 -6.783 4.564 10.087 232 HG LEU 32 HG LEU 32 -4.797 3.478 12.090 233 1HD1 LEU 32 1HD1 LEU 32 -6.477 5.881 12.281 234 2HD1 LEU 32 2HD1 LEU 32 -6.766 4.717 13.575 235 3HD1 LEU 32 3HD1 LEU 32 -5.144 5.356 13.310 236 1HD2 LEU 32 1HD2 LEU 32 -6.634 2.014 11.319 237 2HD2 LEU 32 2HD2 LEU 32 -6.843 2.447 13.016 238 3HD2 LEU 32 3HD2 LEU 32 -7.808 3.248 11.776 239 H GLY 33 H GLY 33 -6.780 2.026 8.287 240 1HA GLY 33 1HA GLY 33 -6.388 3.460 5.713 241 2HA GLY 33 2HA GLY 33 -7.167 1.885 5.888 242 H ILE 34 H ILE 34 -9.362 1.822 6.229 243 HA ILE 34 HA ILE 34 -10.771 4.196 7.193 244 HB ILE 34 HB ILE 34 -11.021 3.247 4.334 245 1HG1 ILE 34 1HG1 ILE 34 -9.462 5.078 4.819 246 2HG1 ILE 34 2HG1 ILE 34 -10.864 5.699 3.944 247 1HG2 ILE 34 1HG2 ILE 34 -13.258 3.631 5.858 248 2HG2 ILE 34 2HG2 ILE 34 -12.924 5.283 5.359 249 3HG2 ILE 34 3HG2 ILE 34 -13.176 4.033 4.146 250 1HD1 ILE 34 1HD1 ILE 34 -11.762 5.873 6.498 251 2HD1 ILE 34 2HD1 ILE 34 -10.035 6.167 6.747 252 3HD1 ILE 34 3HD1 ILE 34 -10.959 7.204 5.654 253 H TYR 35 H TYR 35 -12.709 3.676 8.101 254 HA TYR 35 HA TYR 35 -13.559 0.815 7.930 255 1HB TYR 35 1HB TYR 35 -14.377 1.905 10.430 256 2HB TYR 35 2HB TYR 35 -13.183 0.638 10.155 257 HD1 TYR 35 HD1 TYR 35 -10.829 1.703 9.157 258 HD2 TYR 35 HD2 TYR 35 -13.655 3.691 11.713 259 HE1 TYR 35 HE1 TYR 35 -9.050 3.250 9.914 260 HE2 TYR 35 HE2 TYR 35 -11.872 5.238 12.474 261 HH TYR 35 HH TYR 35 -8.768 5.369 10.926 262 HA PRO 36 HA PRO 36 -17.640 2.288 7.289 263 1HB PRO 36 1HB PRO 36 -19.180 0.895 9.096 264 2HB PRO 36 2HB PRO 36 -18.480 0.174 7.636 265 1HG PRO 36 1HG PRO 36 -17.612 -0.121 10.479 266 2HG PRO 36 2HG PRO 36 -17.428 -1.250 9.125 267 1HD PRO 36 1HD PRO 36 -15.404 0.411 10.152 268 2HD PRO 36 2HD PRO 36 -15.361 -0.411 8.579 269 H GLY 37 H GLY 37 -16.909 4.444 8.239 270 1HA GLY 37 1HA GLY 37 -18.572 6.009 9.494 271 2HA GLY 37 2HA GLY 37 -18.162 5.006 10.887 272 H HIS 38 H HIS 38 -15.999 6.133 8.298 273 HA HIS 38 HA HIS 38 -14.262 7.323 10.401 274 1HB HIS 38 1HB HIS 38 -13.345 5.657 8.710 275 2HB HIS 38 2HB HIS 38 -13.606 6.888 7.476 276 HD1 HIS 38 HD1 HIS 38 -11.771 8.563 7.181 277 HD2 HIS 38 HD2 HIS 38 -11.537 6.650 10.878 278 HE1 HIS 38 HE1 HIS 38 -9.635 9.376 8.274 279 H ALA 39 H ALA 39 -13.646 9.513 10.309 280 HA ALA 39 HA ALA 39 -15.497 11.390 9.293 281 1HB ALA 39 1HB ALA 39 -13.235 11.521 10.866 282 2HB ALA 39 2HB ALA 39 -12.731 12.384 9.412 283 3HB ALA 39 3HB ALA 39 -14.157 12.917 10.304 284 HA PRO 40 HA PRO 40 -14.382 12.045 5.096 285 1HB PRO 40 1HB PRO 40 -14.316 14.785 4.888 286 2HB PRO 40 2HB PRO 40 -15.813 13.852 5.055 287 1HG PRO 40 1HG PRO 40 -14.410 15.527 7.083 288 2HG PRO 40 2HG PRO 40 -16.126 15.104 6.971 289 1HD PRO 40 1HD PRO 40 -14.232 13.922 8.716 290 2HD PRO 40 2HD PRO 40 -15.862 13.306 8.367 291 H LEU 41 H LEU 41 -12.274 11.371 4.633 292 HA LEU 41 HA LEU 41 -10.029 13.153 5.428 293 1HB LEU 41 1HB LEU 41 -10.335 10.334 5.306 294 2HB LEU 41 2HB LEU 41 -9.167 10.774 4.060 295 HG LEU 41 HG LEU 41 -8.035 10.380 6.214 296 1HD1 LEU 41 1HD1 LEU 41 -7.957 12.835 4.674 297 2HD1 LEU 41 2HD1 LEU 41 -7.499 13.140 6.350 298 3HD1 LEU 41 3HD1 LEU 41 -6.623 11.939 5.402 299 1HD2 LEU 41 1HD2 LEU 41 -10.149 11.193 7.499 300 2HD2 LEU 41 2HD2 LEU 41 -8.567 11.572 8.179 301 3HD2 LEU 41 3HD2 LEU 41 -9.465 12.806 7.295 302 H LEU 42 H LEU 42 -9.239 14.530 3.926 303 HA LEU 42 HA LEU 42 -9.373 13.730 1.057 304 1HB LEU 42 1HB LEU 42 -10.740 15.971 2.354 305 2HB LEU 42 2HB LEU 42 -9.710 16.488 1.018 306 HG LEU 42 HG LEU 42 -11.695 14.212 0.797 307 1HD1 LEU 42 1HD1 LEU 42 -11.987 17.173 0.365 308 2HD1 LEU 42 2HD1 LEU 42 -12.892 16.051 -0.649 309 3HD1 LEU 42 3HD1 LEU 42 -13.122 16.042 1.099 310 1HD2 LEU 42 1HD2 LEU 42 -9.826 15.664 -1.045 311 2HD2 LEU 42 2HD2 LEU 42 -10.190 13.941 -0.954 312 3HD2 LEU 42 3HD2 LEU 42 -11.344 15.048 -1.698 313 H THR 43 H THR 43 -7.054 13.245 1.780 314 HA THR 43 HA THR 43 -5.409 15.683 1.301 315 HB THR 43 HB THR 43 -3.931 15.214 3.092 316 HG1 THR 43 HG1 THR 43 -5.267 12.720 3.221 317 1HG2 THR 43 1HG2 THR 43 -6.487 15.847 3.611 318 2HG2 THR 43 2HG2 THR 43 -6.405 14.317 4.484 319 3HG2 THR 43 3HG2 THR 43 -5.295 15.626 4.892 320 H ALA 44 H ALA 44 -2.933 14.183 1.631 321 HA ALA 44 HA ALA 44 -3.065 12.627 -0.903 322 1HB ALA 44 1HB ALA 44 -0.813 13.963 0.605 323 2HB ALA 44 2HB ALA 44 -0.502 12.806 -0.690 324 3HB ALA 44 3HB ALA 44 -1.382 14.295 -1.031 325 H ILE 45 H ILE 45 -1.574 10.663 -0.962 326 HA ILE 45 HA ILE 45 -1.935 9.127 1.569 327 HB ILE 45 HB ILE 45 -1.109 7.784 -0.967 328 1HG1 ILE 45 1HG1 ILE 45 -3.864 8.955 -0.467 329 2HG1 ILE 45 2HG1 ILE 45 -2.792 9.312 -1.821 330 1HG2 ILE 45 1HG2 ILE 45 -1.848 6.923 1.508 331 2HG2 ILE 45 2HG2 ILE 45 -3.401 6.873 0.674 332 3HG2 ILE 45 3HG2 ILE 45 -2.032 5.956 0.044 333 1HD1 ILE 45 1HD1 ILE 45 -3.242 6.453 -1.571 334 2HD1 ILE 45 2HD1 ILE 45 -4.766 7.325 -1.742 335 3HD1 ILE 45 3HD1 ILE 45 -3.505 7.504 -2.962 336 H LYS 46 H LYS 46 0.053 7.122 0.533 337 HA LYS 46 HA LYS 46 2.606 8.465 0.318 338 1HB LYS 46 1HB LYS 46 1.523 7.943 2.981 339 2HB LYS 46 2HB LYS 46 3.085 7.161 2.729 340 1HG LYS 46 1HG LYS 46 3.620 9.566 1.633 341 2HG LYS 46 2HG LYS 46 2.409 10.056 2.816 342 1HD LYS 46 1HD LYS 46 4.605 8.205 3.679 343 2HD LYS 46 2HD LYS 46 4.957 9.926 3.504 344 1HE LYS 46 1HE LYS 46 2.639 8.843 5.128 345 2HE LYS 46 2HE LYS 46 4.207 9.264 5.819 346 1HZ LYS 46 1HZ LYS 46 3.558 11.434 4.318 347 2HZ LYS 46 2HZ LYS 46 2.064 10.973 4.984 348 3HZ LYS 46 3HZ LYS 46 3.384 11.308 6.000 349 HA PRO 47 HA PRO 47 3.832 4.420 -0.856 350 1HB PRO 47 1HB PRO 47 6.487 4.434 -0.141 351 2HB PRO 47 2HB PRO 47 5.841 5.335 -1.524 352 1HG PRO 47 1HG PRO 47 6.730 6.359 1.130 353 2HG PRO 47 2HG PRO 47 6.671 7.194 -0.431 354 1HD PRO 47 1HD PRO 47 4.797 7.467 1.680 355 2HD PRO 47 2HD PRO 47 4.594 8.053 0.015 356 H GLY 48 H GLY 48 3.315 2.525 0.184 357 1HA GLY 48 1HA GLY 48 4.772 1.431 2.349 358 2HA GLY 48 2HA GLY 48 3.347 2.219 3.027 359 H MET 49 H MET 49 2.709 -0.001 3.661 360 HA MET 49 HA MET 49 1.667 -1.618 1.372 361 1HB MET 49 1HB MET 49 1.582 -3.491 2.960 362 2HB MET 49 2HB MET 49 3.205 -2.797 2.927 363 1HG MET 49 1HG MET 49 2.915 -2.832 5.208 364 2HG MET 49 2HG MET 49 2.139 -1.282 4.881 365 1HE MET 49 1HE MET 49 2.152 -4.745 5.508 366 2HE MET 49 2HE MET 49 1.176 -4.625 6.978 367 3HE MET 49 3HE MET 49 0.508 -5.382 5.533 368 H ILE 50 H ILE 50 -0.455 -2.878 2.148 369 HA ILE 50 HA ILE 50 -2.137 -1.409 4.014 370 HB ILE 50 HB ILE 50 -2.188 0.100 2.058 371 1HG1 ILE 50 1HG1 ILE 50 -4.600 -1.443 2.952 372 2HG1 ILE 50 2HG1 ILE 50 -4.212 0.259 3.191 373 1HG2 ILE 50 1HG2 ILE 50 -1.917 -2.143 0.564 374 2HG2 ILE 50 2HG2 ILE 50 -3.658 -1.904 0.424 375 3HG2 ILE 50 3HG2 ILE 50 -2.549 -0.631 -0.086 376 1HD1 ILE 50 1HD1 ILE 50 -5.013 -0.989 0.549 377 2HD1 ILE 50 2HD1 ILE 50 -6.078 -0.036 1.584 378 3HD1 ILE 50 3HD1 ILE 50 -4.676 0.720 0.825 379 H ARG 51 H ARG 51 -3.524 -2.899 4.843 380 HA ARG 51 HA ARG 51 -4.012 -5.387 3.277 381 1HB ARG 51 1HB ARG 51 -4.262 -4.682 6.207 382 2HB ARG 51 2HB ARG 51 -5.008 -6.137 5.544 383 1HG ARG 51 1HG ARG 51 -2.662 -6.616 4.533 384 2HG ARG 51 2HG ARG 51 -2.082 -5.432 5.706 385 1HD ARG 51 1HD ARG 51 -3.606 -7.982 6.307 386 2HD ARG 51 2HD ARG 51 -1.923 -7.637 6.708 387 HE ARG 51 HE ARG 51 -4.082 -6.967 8.372 388 1HH1 ARG 51 1HH1 ARG 51 -0.954 -6.407 8.480 389 2HH1 ARG 51 2HH1 ARG 51 -0.999 -4.735 8.929 390 1HH2 ARG 51 1HH2 ARG 51 -4.371 -4.361 8.223 391 2HH2 ARG 51 2HH2 ARG 51 -2.932 -3.578 8.786 392 H ILE 52 H ILE 52 -6.398 -6.232 3.557 393 HA ILE 52 HA ILE 52 -8.380 -4.135 4.010 394 HB ILE 52 HB ILE 52 -7.159 -4.229 1.541 395 1HG1 ILE 52 1HG1 ILE 52 -9.929 -3.187 2.114 396 2HG1 ILE 52 2HG1 ILE 52 -8.429 -2.380 2.584 397 1HG2 ILE 52 1HG2 ILE 52 -9.787 -5.714 1.403 398 2HG2 ILE 52 2HG2 ILE 52 -9.138 -4.825 0.028 399 3HG2 ILE 52 3HG2 ILE 52 -8.234 -6.175 0.708 400 1HD1 ILE 52 1HD1 ILE 52 -7.874 -2.892 0.000 401 2HD1 ILE 52 2HD1 ILE 52 -9.626 -2.705 -0.104 402 3HD1 ILE 52 3HD1 ILE 52 -8.635 -1.392 0.538 403 H VAL 53 H VAL 53 -10.581 -4.940 3.812 404 HA VAL 53 HA VAL 53 -10.854 -7.888 3.561 405 HB VAL 53 HB VAL 53 -11.701 -6.180 5.910 406 1HG1 VAL 53 1HG1 VAL 53 -13.587 -7.602 5.105 407 2HG1 VAL 53 2HG1 VAL 53 -12.554 -9.019 5.287 408 3HG1 VAL 53 3HG1 VAL 53 -13.009 -8.072 6.703 409 1HG2 VAL 53 1HG2 VAL 53 -9.973 -8.630 5.516 410 2HG2 VAL 53 2HG2 VAL 53 -9.521 -7.084 6.234 411 3HG2 VAL 53 3HG2 VAL 53 -10.597 -8.178 7.102 412 H LYS 54 H LYS 54 -12.110 -7.778 1.709 413 HA LYS 54 HA LYS 54 -14.024 -5.784 1.092 414 1HB LYS 54 1HB LYS 54 -15.015 -7.583 -0.418 415 2HB LYS 54 2HB LYS 54 -13.302 -7.244 -0.660 416 1HG LYS 54 1HG LYS 54 -12.630 -9.216 0.443 417 2HG LYS 54 2HG LYS 54 -14.194 -9.411 1.236 418 1HD LYS 54 1HD LYS 54 -14.046 -11.029 -0.569 419 2HD LYS 54 2HD LYS 54 -15.224 -9.795 -1.020 420 1HE LYS 54 1HE LYS 54 -14.030 -9.310 -2.862 421 2HE LYS 54 2HE LYS 54 -12.636 -8.908 -1.860 422 1HZ LYS 54 1HZ LYS 54 -13.301 -11.721 -2.431 423 2HZ LYS 54 2HZ LYS 54 -12.434 -10.800 -3.565 424 3HZ LYS 54 3HZ LYS 54 -11.806 -11.043 -2.005 425 H GLN 55 H GLN 55 -16.400 -5.992 1.087 426 HA GLN 55 HA GLN 55 -17.595 -6.366 3.542 427 1HB GLN 55 1HB GLN 55 -18.629 -5.562 1.297 428 2HB GLN 55 2HB GLN 55 -19.037 -7.260 1.050 429 1HG GLN 55 1HG GLN 55 -19.714 -6.008 3.682 430 2HG GLN 55 2HG GLN 55 -20.726 -5.629 2.288 431 1HE2 GLN 55 2HE2 GLN 55 -22.320 -6.931 3.794 432 2HE2 GLN 55 1HE2 GLN 55 -22.372 -8.609 3.542 433 H HIS 56 H HIS 56 -17.407 -8.884 0.999 434 HA HIS 56 HA HIS 56 -18.585 -10.973 2.513 435 1HB HIS 56 1HB HIS 56 -16.799 -10.803 0.141 436 2HB HIS 56 2HB HIS 56 -16.842 -12.354 0.980 437 HD1 HIS 56 HD1 HIS 56 -19.407 -9.785 -0.228 438 HD2 HIS 56 HD2 HIS 56 -18.932 -13.914 0.093 439 HE1 HIS 56 HE1 HIS 56 -21.489 -10.825 -1.227 440 H GLY 57 H GLY 57 -17.107 -13.023 3.078 441 1HA GLY 57 1HA GLY 57 -15.292 -12.086 5.191 442 2HA GLY 57 2HA GLY 57 -15.782 -13.758 4.912 443 H HIS 58 H HIS 58 -13.624 -11.197 3.747 444 HA HIS 58 HA HIS 58 -11.616 -13.226 3.065 445 1HB HIS 58 1HB HIS 58 -13.383 -12.406 1.057 446 2HB HIS 58 2HB HIS 58 -11.928 -11.448 0.779 447 HD1 HIS 58 HD1 HIS 58 -11.891 -14.937 2.231 448 HD2 HIS 58 HD2 HIS 58 -10.910 -13.010 -1.333 449 HE1 HIS 58 HE1 HIS 58 -10.659 -16.637 0.813 450 H GLU 59 H GLU 59 -9.866 -11.663 1.618 451 HA GLU 59 HA GLU 59 -9.620 -8.983 2.698 452 1HB GLU 59 1HB GLU 59 -7.508 -9.469 3.992 453 2HB GLU 59 2HB GLU 59 -8.971 -10.125 4.729 454 1HG GLU 59 1HG GLU 59 -8.469 -12.326 4.065 455 2HG GLU 59 2HG GLU 59 -7.326 -11.790 2.833 456 H GLU 60 H GLU 60 -8.107 -7.816 1.492 457 HA GLU 60 HA GLU 60 -6.588 -9.414 -0.534 458 1HB GLU 60 1HB GLU 60 -7.362 -6.523 -0.900 459 2HB GLU 60 2HB GLU 60 -6.945 -7.713 -2.129 460 1HG GLU 60 1HG GLU 60 -9.309 -8.343 -0.432 461 2HG GLU 60 2HG GLU 60 -9.495 -7.026 -1.588 462 H PHE 61 H PHE 61 -4.588 -8.220 -1.331 463 HA PHE 61 HA PHE 61 -3.333 -6.630 0.869 464 1HB PHE 61 1HB PHE 61 -2.395 -9.122 -0.476 465 2HB PHE 61 2HB PHE 61 -1.180 -7.890 -0.137 466 HD1 PHE 61 HD1 PHE 61 -4.062 -9.631 1.527 467 HD2 PHE 61 HD2 PHE 61 -0.177 -7.851 1.966 468 HE1 PHE 61 HE1 PHE 61 -4.011 -10.332 3.906 469 HE2 PHE 61 HE2 PHE 61 -0.124 -8.555 4.343 470 HZ PHE 61 HZ PHE 61 -2.042 -9.793 5.314 471 H ILE 62 H ILE 62 -2.790 -4.655 0.053 472 HA ILE 62 HA ILE 62 -1.908 -4.537 -2.803 473 HB ILE 62 HB ILE 62 -3.321 -2.234 -1.483 474 1HG1 ILE 62 1HG1 ILE 62 -5.170 -3.648 -3.105 475 2HG1 ILE 62 2HG1 ILE 62 -4.469 -4.830 -1.999 476 1HG2 ILE 62 1HG2 ILE 62 -2.325 -2.960 -4.117 477 2HG2 ILE 62 2HG2 ILE 62 -4.036 -2.539 -4.176 478 3HG2 ILE 62 3HG2 ILE 62 -2.866 -1.390 -3.525 479 1HD1 ILE 62 1HD1 ILE 62 -5.496 -2.147 -1.059 480 2HD1 ILE 62 2HD1 ILE 62 -6.522 -3.578 -1.134 481 3HD1 ILE 62 3HD1 ILE 62 -5.107 -3.562 -0.081 482 H TYR 63 H TYR 63 -0.856 -2.180 -3.102 483 HA TYR 63 HA TYR 63 0.535 -1.029 -0.872 484 1HB TYR 63 1HB TYR 63 1.981 -2.831 -0.654 485 2HB TYR 63 2HB TYR 63 1.841 -3.284 -2.351 486 HD1 TYR 63 HD1 TYR 63 2.951 -1.782 -4.101 487 HD2 TYR 63 HD2 TYR 63 3.790 -1.497 0.102 488 HE1 TYR 63 HE1 TYR 63 5.059 -0.577 -4.605 489 HE2 TYR 63 HE2 TYR 63 5.899 -0.290 -0.401 490 HH TYR 63 HH TYR 63 7.025 0.128 -3.730 491 H LEU 64 H LEU 64 1.528 0.904 -1.542 492 HA LEU 64 HA LEU 64 1.943 1.345 -4.443 493 1HB LEU 64 1HB LEU 64 0.661 3.551 -4.212 494 2HB LEU 64 2HB LEU 64 -0.320 2.084 -4.256 495 HG LEU 64 HG LEU 64 0.617 3.032 -1.585 496 1HD1 LEU 64 1HD1 LEU 64 -0.649 4.820 -3.336 497 2HD1 LEU 64 2HD1 LEU 64 -1.941 4.215 -2.298 498 3HD1 LEU 64 3HD1 LEU 64 -0.522 4.979 -1.584 499 1HD2 LEU 64 1HD2 LEU 64 -1.344 1.235 -2.731 500 2HD2 LEU 64 2HD2 LEU 64 -0.820 1.377 -1.054 501 3HD2 LEU 64 3HD2 LEU 64 -2.132 2.391 -1.656 502 H SER 65 H SER 65 2.738 3.807 -4.647 503 HA SER 65 HA SER 65 4.831 4.127 -2.545 504 1HB SER 65 1HB SER 65 6.207 5.108 -4.175 505 2HB SER 65 2HB SER 65 5.355 3.869 -5.094 506 HG SER 65 HG SER 65 5.150 6.633 -5.173 507 H GLY 66 H GLY 66 2.092 5.679 -4.055 508 1HA GLY 66 1HA GLY 66 1.519 7.480 -2.036 509 2HA GLY 66 2HA GLY 66 2.693 8.340 -3.033 510 H GLY 67 H GLY 67 0.383 9.586 -3.012 511 1HA GLY 67 1HA GLY 67 -0.502 9.986 -5.557 512 2HA GLY 67 2HA GLY 67 -1.453 8.581 -5.071 513 H ILE 68 H ILE 68 -3.481 9.384 -4.670 514 HA ILE 68 HA ILE 68 -3.712 11.425 -2.530 515 HB ILE 68 HB ILE 68 -4.918 11.659 -5.297 516 1HG1 ILE 68 1HG1 ILE 68 -3.984 14.115 -4.551 517 2HG1 ILE 68 2HG1 ILE 68 -2.862 13.062 -3.687 518 1HG2 ILE 68 1HG2 ILE 68 -5.713 12.983 -2.695 519 2HG2 ILE 68 2HG2 ILE 68 -6.098 13.682 -4.267 520 3HG2 ILE 68 3HG2 ILE 68 -6.745 12.104 -3.821 521 1HD1 ILE 68 1HD1 ILE 68 -2.364 11.865 -5.787 522 2HD1 ILE 68 2HD1 ILE 68 -3.485 12.916 -6.653 523 3HD1 ILE 68 3HD1 ILE 68 -2.015 13.586 -5.945 524 H LEU 69 H LEU 69 -5.287 10.831 -1.106 525 HA LEU 69 HA LEU 69 -7.142 8.653 -1.965 526 1HB LEU 69 1HB LEU 69 -7.252 7.980 0.346 527 2HB LEU 69 2HB LEU 69 -5.547 8.209 -0.049 528 HG LEU 69 HG LEU 69 -6.253 10.729 0.760 529 1HD1 LEU 69 1HD1 LEU 69 -8.237 8.865 1.797 530 2HD1 LEU 69 2HD1 LEU 69 -7.360 9.666 3.101 531 3HD1 LEU 69 3HD1 LEU 69 -8.207 10.626 1.888 532 1HD2 LEU 69 1HD2 LEU 69 -4.660 8.545 1.671 533 2HD2 LEU 69 2HD2 LEU 69 -4.475 10.256 2.059 534 3HD2 LEU 69 3HD2 LEU 69 -5.479 9.225 3.077 535 H GLU 70 H GLU 70 -9.256 9.174 -2.140 536 HA GLU 70 HA GLU 70 -10.246 11.567 -0.638 537 1HB GLU 70 1HB GLU 70 -10.016 12.016 -3.082 538 2HB GLU 70 2HB GLU 70 -11.110 10.671 -3.406 539 1HG GLU 70 1HG GLU 70 -12.946 11.770 -2.405 540 2HG GLU 70 2HG GLU 70 -11.909 12.924 -1.568 541 H VAL 71 H VAL 71 -11.989 11.113 0.650 542 HA VAL 71 HA VAL 71 -13.225 8.426 0.357 543 HB VAL 71 HB VAL 71 -12.282 9.178 2.577 544 1HG1 VAL 71 1HG1 VAL 71 -14.572 11.139 2.301 545 2HG1 VAL 71 2HG1 VAL 71 -13.841 10.739 3.854 546 3HG1 VAL 71 3HG1 VAL 71 -12.871 11.500 2.594 547 1HG2 VAL 71 1HG2 VAL 71 -15.260 8.601 2.438 548 2HG2 VAL 71 2HG2 VAL 71 -13.973 7.396 2.437 549 3HG2 VAL 71 3HG2 VAL 71 -14.252 8.388 3.868 550 H GLN 72 H GLN 72 -15.558 8.219 0.448 551 HA GLN 72 HA GLN 72 -17.078 10.707 -0.158 552 1HB GLN 72 1HB GLN 72 -16.532 8.473 -1.975 553 2HB GLN 72 2HB GLN 72 -18.256 8.799 -1.793 554 1HG GLN 72 1HG GLN 72 -18.083 10.640 -3.072 555 2HG GLN 72 2HG GLN 72 -16.831 11.293 -2.014 556 1HE2 GLN 72 2HE2 GLN 72 -14.771 11.457 -2.923 557 2HE2 GLN 72 1HE2 GLN 72 -14.259 10.638 -4.318 558 HA PRO 73 HA PRO 73 -20.225 8.901 2.307 559 1HB PRO 73 1HB PRO 73 -22.506 9.656 0.972 560 2HB PRO 73 2HB PRO 73 -21.502 10.777 1.907 561 1HG PRO 73 1HG PRO 73 -21.733 10.485 -1.052 562 2HG PRO 73 2HG PRO 73 -21.280 11.907 -0.096 563 1HD PRO 73 1HD PRO 73 -19.494 10.205 -1.490 564 2HD PRO 73 2HD PRO 73 -19.046 11.425 -0.279 565 H GLY 74 H GLY 74 -19.400 6.671 1.390 566 1HA GLY 74 1HA GLY 74 -20.922 4.627 1.216 567 2HA GLY 74 2HA GLY 74 -21.592 5.415 -0.212 568 H ASN 75 H ASN 75 -18.391 6.198 -0.256 569 HA ASN 75 HA ASN 75 -17.188 3.746 -1.131 570 1HB ASN 75 1HB ASN 75 -17.208 3.998 -3.512 571 2HB ASN 75 2HB ASN 75 -18.879 4.194 -2.985 572 1HD2 ASN 75 2HD2 ASN 75 -17.997 5.338 -5.447 573 2HD2 ASN 75 1HD2 ASN 75 -18.008 7.029 -5.295 574 H VAL 76 H VAL 76 -15.103 4.337 -2.504 575 HA VAL 76 HA VAL 76 -14.093 7.045 -2.140 576 HB VAL 76 HB VAL 76 -13.494 6.625 0.040 577 1HG1 VAL 76 1HG1 VAL 76 -14.598 4.401 0.048 578 2HG1 VAL 76 2HG1 VAL 76 -13.124 3.694 -0.616 579 3HG1 VAL 76 3HG1 VAL 76 -13.107 4.420 0.990 580 1HG2 VAL 76 1HG2 VAL 76 -11.360 6.857 -1.237 581 2HG2 VAL 76 2HG2 VAL 76 -11.171 5.883 0.221 582 3HG2 VAL 76 3HG2 VAL 76 -11.271 5.101 -1.356 583 H THR 77 H THR 77 -11.832 7.208 -3.012 584 HA THR 77 HA THR 77 -10.797 4.908 -4.504 585 HB THR 77 HB THR 77 -12.001 7.300 -5.928 586 HG1 THR 77 HG1 THR 77 -13.559 5.861 -5.822 587 1HG2 THR 77 1HG2 THR 77 -9.688 6.478 -6.744 588 2HG2 THR 77 2HG2 THR 77 -10.538 5.019 -7.249 589 3HG2 THR 77 3HG2 THR 77 -10.985 6.581 -7.932 590 H VAL 78 H VAL 78 -8.642 5.285 -5.226 591 HA VAL 78 HA VAL 78 -7.493 7.959 -4.577 592 HB VAL 78 HB VAL 78 -5.635 6.964 -3.401 593 1HG1 VAL 78 1HG1 VAL 78 -8.132 7.063 -2.389 594 2HG1 VAL 78 2HG1 VAL 78 -7.834 5.331 -2.234 595 3HG1 VAL 78 3HG1 VAL 78 -6.753 6.485 -1.453 596 1HG2 VAL 78 1HG2 VAL 78 -5.569 4.918 -4.893 597 2HG2 VAL 78 2HG2 VAL 78 -5.337 4.577 -3.178 598 3HG2 VAL 78 3HG2 VAL 78 -6.897 4.260 -3.938 599 H LEU 79 H LEU 79 -5.458 8.366 -5.728 600 HA LEU 79 HA LEU 79 -5.088 6.561 -8.086 601 1HB LEU 79 1HB LEU 79 -4.729 9.566 -8.133 602 2HB LEU 79 2HB LEU 79 -4.783 8.463 -9.510 603 HG LEU 79 HG LEU 79 -7.159 8.206 -7.847 604 1HD1 LEU 79 1HD1 LEU 79 -6.369 10.718 -7.637 605 2HD1 LEU 79 2HD1 LEU 79 -6.999 10.838 -9.280 606 3HD1 LEU 79 3HD1 LEU 79 -8.063 10.348 -7.961 607 1HD2 LEU 79 1HD2 LEU 79 -6.510 8.798 -10.738 608 2HD2 LEU 79 2HD2 LEU 79 -7.203 7.329 -10.049 609 3HD2 LEU 79 3HD2 LEU 79 -8.173 8.797 -10.151 610 H ALA 80 H ALA 80 -3.124 5.615 -7.840 611 HA ALA 80 HA ALA 80 -0.904 7.278 -6.721 612 1HB ALA 80 1HB ALA 80 -1.567 4.357 -6.516 613 2HB ALA 80 2HB ALA 80 0.117 4.866 -6.409 614 3HB ALA 80 3HB ALA 80 -1.064 5.475 -5.249 615 H ASP 81 H ASP 81 1.239 6.888 -7.707 616 HA ASP 81 HA ASP 81 1.041 6.729 -10.612 617 1HB ASP 81 1HB ASP 81 2.633 8.264 -9.492 618 2HB ASP 81 2HB ASP 81 3.493 6.873 -8.829 619 H THR 82 H THR 82 2.639 4.749 -8.094 620 HA THR 82 HA THR 82 2.973 2.595 -10.126 621 HB THR 82 HB THR 82 4.925 3.397 -8.668 622 HG1 THR 82 HG1 THR 82 4.482 1.199 -9.700 623 1HG2 THR 82 1HG2 THR 82 3.639 3.576 -6.564 624 2HG2 THR 82 2HG2 THR 82 3.375 1.832 -6.585 625 3HG2 THR 82 3HG2 THR 82 5.006 2.474 -6.389 626 H ALA 83 H ALA 83 2.812 0.304 -8.832 627 HA ALA 83 HA ALA 83 0.754 0.144 -6.812 628 1HB ALA 83 1HB ALA 83 -0.212 0.560 -9.402 629 2HB ALA 83 2HB ALA 83 -0.376 -1.178 -9.148 630 3HB ALA 83 3HB ALA 83 -1.137 -0.048 -8.028 631 H ILE 84 H ILE 84 2.443 -1.253 -5.979 632 HA ILE 84 HA ILE 84 2.794 -3.819 -7.459 633 HB ILE 84 HB ILE 84 4.378 -2.488 -5.251 634 1HG1 ILE 84 1HG1 ILE 84 6.166 -3.125 -7.123 635 2HG1 ILE 84 2HG1 ILE 84 4.738 -3.095 -8.160 636 1HG2 ILE 84 1HG2 ILE 84 4.130 -5.336 -5.961 637 2HG2 ILE 84 2HG2 ILE 84 5.790 -4.740 -5.948 638 3HG2 ILE 84 3HG2 ILE 84 4.788 -4.593 -4.503 639 1HD1 ILE 84 1HD1 ILE 84 4.279 -0.811 -6.890 640 2HD1 ILE 84 2HD1 ILE 84 6.024 -0.861 -6.639 641 3HD1 ILE 84 3HD1 ILE 84 5.368 -0.868 -8.276 642 H ARG 85 H ARG 85 0.432 -4.111 -6.649 643 HA ARG 85 HA ARG 85 -0.415 -4.443 -4.050 644 1HB ARG 85 1HB ARG 85 -1.993 -6.057 -4.838 645 2HB ARG 85 2HB ARG 85 -1.694 -4.976 -6.198 646 1HG ARG 85 1HG ARG 85 0.228 -6.751 -6.717 647 2HG ARG 85 2HG ARG 85 -0.847 -7.816 -5.812 648 1HD ARG 85 1HD ARG 85 -2.493 -7.743 -7.411 649 2HD ARG 85 2HD ARG 85 -2.108 -6.088 -7.883 650 HE ARG 85 HE ARG 85 -0.214 -8.260 -8.628 651 1HH1 ARG 85 1HH1 ARG 85 -3.017 -6.660 -9.652 652 2HH1 ARG 85 2HH1 ARG 85 -2.419 -6.283 -11.233 653 1HH2 ARG 85 1HH2 ARG 85 0.792 -7.417 -10.580 654 2HH2 ARG 85 2HH2 ARG 85 -0.263 -6.710 -11.758 655 H GLY 86 H GLY 86 -0.056 -5.895 -2.377 656 1HA GLY 86 1HA GLY 86 2.370 -7.234 -2.090 657 2HA GLY 86 2HA GLY 86 0.909 -7.708 -1.219 658 H GLN 87 H GLN 87 3.045 -9.415 -2.425 659 HA GLN 87 HA GLN 87 3.167 -11.425 -3.631 660 1HB GLN 87 1HB GLN 87 0.273 -11.726 -4.042 661 2HB GLN 87 2HB GLN 87 1.407 -12.804 -3.233 662 1HG GLN 87 1HG GLN 87 1.373 -10.977 -1.346 663 2HG GLN 87 2HG GLN 87 -0.150 -10.498 -2.097 664 1HE2 GLN 87 2HE2 GLN 87 -1.309 -12.899 -2.821 665 2HE2 GLN 87 1HE2 GLN 87 -1.547 -13.885 -1.460 666 H ASP 88 H ASP 88 2.851 -8.748 -4.993 667 HA ASP 88 HA ASP 88 1.297 -8.667 -7.259 668 1HB ASP 88 1HB ASP 88 3.194 -7.531 -8.404 669 2HB ASP 88 2HB ASP 88 2.962 -6.941 -6.759 670 H LEU 89 H LEU 89 4.323 -10.535 -6.932 671 HA LEU 89 HA LEU 89 3.302 -12.531 -8.812 672 1HB LEU 89 1HB LEU 89 4.919 -10.382 -9.792 673 2HB LEU 89 2HB LEU 89 5.876 -11.863 -9.849 674 HG LEU 89 HG LEU 89 3.105 -11.478 -11.020 675 1HD1 LEU 89 1HD1 LEU 89 5.867 -11.771 -12.226 676 2HD1 LEU 89 2HD1 LEU 89 4.386 -12.000 -13.157 677 3HD1 LEU 89 3HD1 LEU 89 4.737 -10.432 -12.431 678 1HD2 LEU 89 1HD2 LEU 89 4.524 -13.844 -10.172 679 2HD2 LEU 89 2HD2 LEU 89 2.920 -13.721 -10.897 680 3HD2 LEU 89 3HD2 LEU 89 4.345 -13.861 -11.927 681 H ASP 90 H ASP 90 6.468 -11.392 -7.568 682 HA ASP 90 HA ASP 90 7.304 -14.128 -7.008 683 1HB ASP 90 1HB ASP 90 8.494 -11.414 -6.400 684 2HB ASP 90 2HB ASP 90 9.243 -12.915 -5.855 685 H GLU 91 H GLU 91 8.165 -14.577 -4.679 686 HA GLU 91 HA GLU 91 6.387 -13.368 -2.621 687 1HB GLU 91 1HB GLU 91 6.519 -16.255 -3.439 688 2HB GLU 91 2HB GLU 91 6.204 -15.852 -1.751 689 1HG GLU 91 1HG GLU 91 4.066 -15.355 -2.237 690 2HG GLU 91 2HG GLU 91 4.591 -14.166 -3.430 691 H ALA 92 H ALA 92 8.334 -16.286 -2.271 692 HA ALA 92 HA ALA 92 9.840 -15.053 -0.099 693 1HB ALA 92 1HB ALA 92 9.667 -17.759 -1.350 694 2HB ALA 92 2HB ALA 92 11.142 -17.366 -0.467 695 3HB ALA 92 3HB ALA 92 9.581 -17.301 0.351 696 H ARG 93 H ARG 93 10.256 -15.401 -3.510 697 HA ARG 93 HA ARG 93 13.165 -15.200 -3.489 698 1HB ARG 93 1HB ARG 93 11.640 -16.147 -5.367 699 2HB ARG 93 2HB ARG 93 11.403 -14.459 -5.823 700 1HG ARG 93 1HG ARG 93 14.113 -14.526 -5.527 701 2HG ARG 93 2HG ARG 93 13.804 -16.166 -6.098 702 1HD ARG 93 1HD ARG 93 12.363 -15.090 -7.928 703 2HD ARG 93 2HD ARG 93 13.102 -13.560 -7.456 704 HE ARG 93 HE ARG 93 15.032 -14.247 -8.606 705 1HH1 ARG 93 1HH2 ARG 93 13.465 -16.258 -10.163 706 2HH1 ARG 93 2HH2 ARG 93 14.324 -17.726 -9.836 707 1HH2 ARG 93 1HH1 ARG 93 16.008 -16.442 -7.091 708 2HH2 ARG 93 2HH1 ARG 93 15.761 -17.831 -8.097 709 H ALA 94 H ALA 94 10.677 -13.018 -2.861 710 HA ALA 94 HA ALA 94 12.108 -10.669 -3.942 711 1HB ALA 94 1HB ALA 94 9.426 -11.217 -3.474 712 2HB ALA 94 2HB ALA 94 9.857 -10.140 -2.144 713 3HB ALA 94 3HB ALA 94 10.102 -9.624 -3.813 714 H MET 95 H MET 95 12.190 -12.578 -1.175 715 HA MET 95 HA MET 95 12.668 -10.510 0.803 716 1HB MET 95 1HB MET 95 12.485 -13.395 0.719 717 2HB MET 95 2HB MET 95 13.912 -12.902 1.630 718 1HG MET 95 1HG MET 95 12.504 -11.373 2.983 719 2HG MET 95 2HG MET 95 11.082 -11.920 2.095 720 1HE MET 95 1HE MET 95 12.786 -11.904 4.999 721 2HE MET 95 2HE MET 95 11.101 -12.275 5.390 722 3HE MET 95 3HE MET 95 12.389 -13.360 5.908 723 H GLU 96 H GLU 96 14.598 -12.137 -1.590 724 HA GLU 96 HA GLU 96 17.144 -11.403 -0.314 725 1HB GLU 96 1HB GLU 96 16.276 -13.073 -2.559 726 2HB GLU 96 2HB GLU 96 17.712 -12.120 -2.933 727 1HG GLU 96 1HG GLU 96 18.776 -12.945 -0.845 728 2HG GLU 96 2HG GLU 96 17.357 -13.948 -0.540 729 H ALA 97 H ALA 97 14.872 -9.592 -1.760 730 HA ALA 97 HA ALA 97 16.665 -8.032 -3.516 731 1HB ALA 97 1HB ALA 97 13.877 -8.477 -3.403 732 2HB ALA 97 2HB ALA 97 14.114 -6.774 -3.013 733 3HB ALA 97 3HB ALA 97 14.745 -7.428 -4.525 734 H LYS 98 H LYS 98 15.764 -8.105 -0.235 735 HA LYS 98 HA LYS 98 15.856 -5.268 0.315 736 1HB LYS 98 1HB LYS 98 14.931 -7.222 1.784 737 2HB LYS 98 2HB LYS 98 16.599 -7.370 2.337 738 1HG LYS 98 1HG LYS 98 15.917 -4.597 2.346 739 2HG LYS 98 2HG LYS 98 14.630 -5.475 3.171 740 1HD LYS 98 1HD LYS 98 17.402 -6.302 3.841 741 2HD LYS 98 2HD LYS 98 16.911 -4.705 4.409 742 1HE LYS 98 1HE LYS 98 14.765 -6.558 4.873 743 2HE LYS 98 2HE LYS 98 16.252 -7.223 5.546 744 1HZ LYS 98 1HZ LYS 98 16.517 -4.773 6.394 745 2HZ LYS 98 2HZ LYS 98 14.823 -4.769 6.254 746 3HZ LYS 98 3HZ LYS 98 15.587 -5.902 7.257 747 H ARG 99 H ARG 99 18.277 -7.795 0.020 748 HA ARG 99 HA ARG 99 20.386 -6.029 1.099 749 1HB ARG 99 1HB ARG 99 20.251 -8.892 0.201 750 2HB ARG 99 2HB ARG 99 21.818 -8.087 0.293 751 1HG ARG 99 1HG ARG 99 21.570 -7.647 2.622 752 2HG ARG 99 2HG ARG 99 19.852 -8.048 2.589 753 1HD ARG 99 1HD ARG 99 21.622 -10.210 1.643 754 2HD ARG 99 2HD ARG 99 21.828 -9.792 3.343 755 HE ARG 99 HE ARG 99 19.265 -10.719 2.124 756 1HH1 ARG 99 1HH2 ARG 99 21.461 -11.603 4.392 757 2HH1 ARG 99 2HH2 ARG 99 20.369 -11.667 5.735 758 1HH2 ARG 99 1HH1 ARG 99 17.772 -10.118 4.039 759 2HH2 ARG 99 2HH1 ARG 99 18.282 -10.827 5.535 760 H LYS 100 H LYS 100 19.227 -7.261 -1.996 761 HA LYS 100 HA LYS 100 21.513 -6.096 -3.439 762 1HB LYS 100 1HB LYS 100 19.081 -7.680 -4.206 763 2HB LYS 100 2HB LYS 100 19.953 -6.777 -5.446 764 1HG LYS 100 1HG LYS 100 21.948 -8.063 -3.944 765 2HG LYS 100 2HG LYS 100 20.682 -9.271 -4.157 766 1HD LYS 100 1HD LYS 100 21.476 -7.620 -6.523 767 2HD LYS 100 2HD LYS 100 22.550 -8.923 -6.013 768 1HE LYS 100 1HE LYS 100 19.658 -9.588 -6.163 769 2HE LYS 100 2HE LYS 100 20.478 -9.315 -7.700 770 1HZ LYS 100 1HZ LYS 100 21.843 -10.986 -5.737 771 2HZ LYS 100 2HZ LYS 100 20.484 -11.654 -6.500 772 3HZ LYS 100 3HZ LYS 100 21.798 -11.114 -7.430 773 H ALA 101 H ALA 101 18.609 -4.944 -2.173 774 HA ALA 101 HA ALA 101 18.124 -2.974 -4.311 775 1HB ALA 101 1HB ALA 101 16.843 -3.447 -1.606 776 2HB ALA 101 2HB ALA 101 16.374 -2.129 -2.681 777 3HB ALA 101 3HB ALA 101 16.159 -3.803 -3.193 778 H GLU 102 H GLU 102 19.662 -3.150 -1.155 779 HA GLU 102 HA GLU 102 19.904 -0.299 -0.762 780 1HB GLU 102 1HB GLU 102 20.174 -1.665 1.174 781 2HB GLU 102 2HB GLU 102 21.376 -2.682 0.381 782 1HG GLU 102 1HG GLU 102 23.070 -1.227 0.812 783 2HG GLU 102 2HG GLU 102 22.073 0.183 0.456 784 H GLU 103 H GLU 103 21.861 -2.729 -2.415 785 HA GLU 103 HA GLU 103 24.232 -1.199 -2.759 786 1HB GLU 103 1HB GLU 103 22.949 -3.477 -4.213 787 2HB GLU 103 2HB GLU 103 24.270 -2.624 -5.011 788 1HG GLU 103 1HG GLU 103 25.782 -3.087 -3.213 789 2HG GLU 103 2HG GLU 103 24.473 -3.653 -2.174 790 H HIS 104 H HIS 104 21.176 -1.197 -4.540 791 HA HIS 104 HA HIS 104 22.151 0.562 -6.641 792 1HB HIS 104 1HB HIS 104 19.408 -0.353 -5.768 793 2HB HIS 104 2HB HIS 104 19.617 0.850 -7.041 794 HD1 HIS 104 HD1 HIS 104 20.574 0.060 -9.296 795 HD2 HIS 104 HD2 HIS 104 20.350 -2.981 -6.453 796 HE1 HIS 104 HE1 HIS 104 21.009 -2.107 -10.530 797 H ILE 105 H ILE 105 20.973 1.001 -3.418 798 HA ILE 105 HA ILE 105 20.318 3.844 -3.874 799 HB ILE 105 HB ILE 105 20.328 2.172 -1.340 800 1HG1 ILE 105 1HG1 ILE 105 17.882 3.240 -2.713 801 2HG1 ILE 105 2HG1 ILE 105 18.641 1.778 -3.342 802 1HG2 ILE 105 1HG2 ILE 105 19.657 5.036 -1.946 803 2HG2 ILE 105 2HG2 ILE 105 18.776 4.188 -0.674 804 3HG2 ILE 105 3HG2 ILE 105 20.528 4.365 -0.568 805 1HD1 ILE 105 1HD1 ILE 105 18.159 1.965 -0.395 806 2HD1 ILE 105 2HD1 ILE 105 16.781 1.640 -1.447 807 3HD1 ILE 105 3HD1 ILE 105 18.164 0.544 -1.441 808 H SER 106 H SER 106 23.118 2.594 -4.086 809 HA SER 106 HA SER 106 24.497 4.138 -1.948 810 1HB SER 106 1HB SER 106 25.155 1.776 -3.583 811 2HB SER 106 2HB SER 106 26.482 2.920 -3.401 812 HG SER 106 HG SER 106 24.905 1.848 -1.292 813 H SER 107 H SER 107 23.378 5.910 -3.590 814 HA SER 107 HA SER 107 25.579 6.725 -5.448 815 1HB SER 107 1HB SER 107 23.255 6.123 -6.432 816 2HB SER 107 2HB SER 107 22.719 7.643 -5.720 817 HG SER 107 HG SER 107 23.584 7.646 -7.973 818 H SER 108 H SER 108 26.231 8.913 -5.346 819 HA SER 108 HA SER 108 24.972 10.533 -3.172 820 1HB SER 108 1HB SER 108 27.465 11.417 -2.965 821 2HB SER 108 2HB SER 108 26.953 9.963 -2.113 822 HG SER 108 HG SER 108 28.948 9.982 -3.568 823 H HIS 109 H HIS 109 24.640 12.681 -3.686 824 HA HIS 109 HA HIS 109 25.938 13.776 -6.123 825 1HB HIS 109 1HB HIS 109 23.190 12.929 -5.972 826 2HB HIS 109 2HB HIS 109 23.248 14.682 -6.162 827 HD1 HIS 109 HD1 HIS 109 22.201 13.578 -8.599 828 HD2 HIS 109 HD2 HIS 109 26.314 13.489 -7.929 829 HE1 HIS 109 HE1 HIS 109 23.291 13.291 -10.868 830 H GLY 110 H GLY 110 23.294 14.784 -3.929 831 1HA GLY 110 1HA GLY 110 24.801 16.588 -2.356 832 2HA GLY 110 2HA GLY 110 24.209 17.490 -3.753 833 H ASP 111 H ASP 111 22.048 18.080 -3.817 834 HA ASP 111 HA ASP 111 20.548 17.933 -1.341 835 1HB ASP 111 1HB ASP 111 20.391 19.364 -3.835 836 2HB ASP 111 2HB ASP 111 18.815 18.663 -3.465 837 H VAL 112 H VAL 112 18.434 16.907 -1.102 838 HA VAL 112 HA VAL 112 17.229 14.874 -1.088 839 HB VAL 112 HB VAL 112 16.050 14.502 -3.182 840 1HG1 VAL 112 1HG1 VAL 112 15.634 16.613 -1.812 841 2HG1 VAL 112 2HG1 VAL 112 16.623 17.469 -2.995 842 3HG1 VAL 112 3HG1 VAL 112 15.123 16.690 -3.498 843 1HG2 VAL 112 1HG2 VAL 112 18.284 14.744 -4.507 844 2HG2 VAL 112 2HG2 VAL 112 16.793 15.292 -5.276 845 3HG2 VAL 112 3HG2 VAL 112 17.892 16.463 -4.545 846 H ASP 113 H ASP 113 20.059 14.455 -1.137 847 HA ASP 113 HA ASP 113 20.530 12.313 -3.109 848 1HB ASP 113 1HB ASP 113 22.398 13.760 -2.643 849 2HB ASP 113 2HB ASP 113 22.212 13.524 -0.903 850 H TYR 114 H TYR 114 21.781 11.953 0.127 851 HA TYR 114 HA TYR 114 20.675 9.289 0.354 852 1HB TYR 114 1HB TYR 114 22.416 11.059 1.953 853 2HB TYR 114 2HB TYR 114 21.406 9.980 2.916 854 HD1 TYR 114 HD1 TYR 114 21.396 7.483 2.323 855 HD2 TYR 114 HD2 TYR 114 24.338 10.244 0.849 856 HE1 TYR 114 HE1 TYR 114 22.906 5.590 1.792 857 HE2 TYR 114 HE2 TYR 114 25.849 8.350 0.317 858 HH TYR 114 HH TYR 114 25.830 5.596 1.510 859 H ALA 115 H ALA 115 19.573 12.455 1.064 860 HA ALA 115 HA ALA 115 17.703 11.864 3.164 861 1HB ALA 115 1HB ALA 115 18.479 14.117 1.549 862 2HB ALA 115 2HB ALA 115 16.717 13.990 1.554 863 3HB ALA 115 3HB ALA 115 17.596 14.115 3.078 864 H GLN 116 H GLN 116 17.446 11.952 -0.384 865 HA GLN 116 HA GLN 116 14.632 11.068 -0.243 866 1HB GLN 116 1HB GLN 116 15.142 12.695 -1.957 867 2HB GLN 116 2HB GLN 116 16.472 11.708 -2.565 868 1HG GLN 116 1HG GLN 116 14.429 11.472 -3.964 869 2HG GLN 116 2HG GLN 116 14.896 9.944 -3.216 870 1HE2 GLN 116 2HE2 GLN 116 13.109 8.863 -2.391 871 2HE2 GLN 116 1HE2 GLN 116 11.752 9.605 -1.694 872 H ALA 117 H ALA 117 17.768 9.695 -0.479 873 HA ALA 117 HA ALA 117 16.942 7.276 -1.896 874 1HB ALA 117 1HB ALA 117 19.393 8.475 -1.200 875 2HB ALA 117 2HB ALA 117 19.346 6.952 -0.313 876 3HB ALA 117 3HB ALA 117 19.165 6.956 -2.066 877 H SER 118 H SER 118 17.269 8.306 1.460 878 HA SER 118 HA SER 118 17.196 5.792 2.748 879 1HB SER 118 1HB SER 118 17.539 7.862 3.999 880 2HB SER 118 2HB SER 118 15.915 8.411 3.589 881 HG SER 118 HG SER 118 16.768 6.459 5.391 882 H ALA 119 H ALA 119 14.732 7.440 0.949 883 HA ALA 119 HA ALA 119 12.572 5.781 2.094 884 1HB ALA 119 1HB ALA 119 12.257 8.211 1.406 885 2HB ALA 119 2HB ALA 119 12.405 7.670 -0.266 886 3HB ALA 119 3HB ALA 119 11.079 7.082 0.737 887 H GLU 120 H GLU 120 14.620 5.922 -0.754 888 HA GLU 120 HA GLU 120 13.127 4.227 -2.479 889 1HB GLU 120 1HB GLU 120 16.121 4.580 -2.167 890 2HB GLU 120 2HB GLU 120 15.370 3.681 -3.487 891 1HG GLU 120 1HG GLU 120 14.299 6.405 -2.990 892 2HG GLU 120 2HG GLU 120 15.934 6.323 -3.645 893 H LEU 121 H LEU 121 14.983 3.529 0.384 894 HA LEU 121 HA LEU 121 15.168 0.656 -0.177 895 1HB LEU 121 1HB LEU 121 16.869 1.883 1.197 896 2HB LEU 121 2HB LEU 121 15.633 2.133 2.431 897 HG LEU 121 HG LEU 121 15.978 -0.659 1.475 898 1HD1 LEU 121 1HD1 LEU 121 18.075 0.863 3.030 899 2HD1 LEU 121 2HD1 LEU 121 17.897 -0.884 3.178 900 3HD1 LEU 121 3HD1 LEU 121 18.299 -0.169 1.618 901 1HD2 LEU 121 1HD2 LEU 121 15.362 0.823 4.017 902 2HD2 LEU 121 2HD2 LEU 121 14.438 -0.452 3.221 903 3HD2 LEU 121 3HD2 LEU 121 15.911 -0.851 4.105 904 H ALA 122 H ALA 122 13.379 2.691 2.168 905 HA ALA 122 HA ALA 122 11.753 0.441 3.049 906 1HB ALA 122 1HB ALA 122 11.947 3.343 3.652 907 2HB ALA 122 2HB ALA 122 10.367 2.602 3.909 908 3HB ALA 122 3HB ALA 122 11.783 1.973 4.751 909 H LYS 123 H LYS 123 11.771 2.049 0.184 910 HA LYS 123 HA LYS 123 8.910 2.493 -0.162 911 1HB LYS 123 1HB LYS 123 10.565 3.765 -1.474 912 2HB LYS 123 2HB LYS 123 11.136 2.269 -2.212 913 1HG LYS 123 1HG LYS 123 9.460 2.295 -3.718 914 2HG LYS 123 2HG LYS 123 8.254 2.492 -2.446 915 1HD LYS 123 1HD LYS 123 8.200 4.410 -3.986 916 2HD LYS 123 2HD LYS 123 8.728 4.920 -2.382 917 1HE LYS 123 1HE LYS 123 10.602 5.754 -3.304 918 2HE LYS 123 2HE LYS 123 11.058 4.119 -3.782 919 1HZ LYS 123 1HZ LYS 123 9.739 4.398 -5.800 920 2HZ LYS 123 2HZ LYS 123 9.356 5.985 -5.344 921 3HZ LYS 123 3HZ LYS 123 10.965 5.569 -5.694 922 H ALA 124 H ALA 124 11.153 0.177 -1.743 923 HA ALA 124 HA ALA 124 8.920 -1.526 -2.540 924 1HB ALA 124 1HB ALA 124 11.926 -1.787 -2.721 925 2HB ALA 124 2HB ALA 124 10.842 -3.084 -3.227 926 3HB ALA 124 3HB ALA 124 10.777 -1.515 -4.032 927 H ILE 125 H ILE 125 10.999 -1.271 0.213 928 HA ILE 125 HA ILE 125 10.706 -4.035 1.080 929 HB ILE 125 HB ILE 125 11.802 -1.506 2.269 930 1HG1 ILE 125 1HG1 ILE 125 13.807 -2.831 2.442 931 2HG1 ILE 125 2HG1 ILE 125 12.916 -4.321 2.129 932 1HG2 ILE 125 1HG2 ILE 125 10.859 -3.924 3.797 933 2HG2 ILE 125 2HG2 ILE 125 12.279 -3.033 4.346 934 3HG2 ILE 125 3HG2 ILE 125 10.719 -2.218 4.223 935 1HD1 ILE 125 1HD1 ILE 125 12.297 -3.384 -0.128 936 2HD1 ILE 125 2HD1 ILE 125 13.394 -2.042 0.191 937 3HD1 ILE 125 3HD1 ILE 125 14.022 -3.685 0.077 938 H ALA 126 H ALA 126 8.652 -1.324 1.057 939 HA ALA 126 HA ALA 126 7.184 -1.818 3.490 940 1HB ALA 126 1HB ALA 126 6.952 -0.084 1.151 941 2HB ALA 126 2HB ALA 126 5.383 -0.688 1.684 942 3HB ALA 126 3HB ALA 126 6.416 0.197 2.808 943 H GLN 127 H GLN 127 6.775 -2.887 0.122 944 HA GLN 127 HA GLN 127 4.367 -4.417 0.742 945 1HB GLN 127 1HB GLN 127 4.555 -5.220 -1.570 946 2HB GLN 127 2HB GLN 127 4.785 -3.472 -1.517 947 1HG GLN 127 1HG GLN 127 6.683 -3.881 -2.694 948 2HG GLN 127 2HG GLN 127 7.350 -4.390 -1.142 949 1HE2 GLN 127 2HE2 GLN 127 7.811 -6.624 -0.856 950 2HE2 GLN 127 1HE2 GLN 127 7.515 -7.800 -2.043 951 H LEU 128 H LEU 128 7.648 -4.915 1.312 952 HA LEU 128 HA LEU 128 7.703 -7.797 0.847 953 1HB LEU 128 1HB LEU 128 9.787 -6.523 0.757 954 2HB LEU 128 2HB LEU 128 9.552 -5.974 2.417 955 HG LEU 128 HG LEU 128 9.397 -8.599 2.874 956 1HD1 LEU 128 1HD1 LEU 128 9.759 -8.859 0.283 957 2HD1 LEU 128 2HD1 LEU 128 11.454 -8.580 0.685 958 3HD1 LEU 128 3HD1 LEU 128 10.593 -9.949 1.392 959 1HD2 LEU 128 1HD2 LEU 128 11.914 -6.958 2.476 960 2HD2 LEU 128 2HD2 LEU 128 11.008 -7.178 3.974 961 3HD2 LEU 128 3HD2 LEU 128 11.897 -8.531 3.275 962 H ARG 129 H ARG 129 6.832 -5.668 3.479 963 HA ARG 129 HA ARG 129 6.828 -7.866 5.446 964 1HB ARG 129 1HB ARG 129 6.983 -5.050 5.585 965 2HB ARG 129 2HB ARG 129 5.442 -5.487 6.324 966 1HG ARG 129 1HG ARG 129 6.759 -5.807 8.171 967 2HG ARG 129 2HG ARG 129 7.018 -7.384 7.427 968 1HD ARG 129 1HD ARG 129 9.167 -6.894 6.819 969 2HD ARG 129 2HD ARG 129 8.788 -5.209 6.465 970 HE ARG 129 HE ARG 129 9.533 -6.294 9.115 971 1HH1 ARG 129 1HH1 ARG 129 9.781 -3.719 7.021 972 2HH1 ARG 129 2HH1 ARG 129 9.570 -2.482 8.215 973 1HH2 ARG 129 1HH2 ARG 129 8.665 -4.690 10.728 974 2HH2 ARG 129 2HH2 ARG 129 8.938 -3.031 10.313 975 H VAL 130 H VAL 130 4.605 -6.228 3.320 976 HA VAL 130 HA VAL 130 2.218 -7.180 4.711 977 HB VAL 130 HB VAL 130 2.506 -5.077 3.187 978 1HG1 VAL 130 1HG1 VAL 130 3.309 -6.684 1.280 979 2HG1 VAL 130 2HG1 VAL 130 1.585 -6.964 1.034 980 3HG1 VAL 130 3HG1 VAL 130 2.246 -5.335 0.878 981 1HG2 VAL 130 1HG2 VAL 130 0.277 -6.825 3.774 982 2HG2 VAL 130 2HG2 VAL 130 0.312 -5.066 3.681 983 3HG2 VAL 130 3HG2 VAL 130 0.032 -6.018 2.225 984 H ILE 131 H ILE 131 4.334 -8.344 2.199 985 HA ILE 131 HA ILE 131 2.411 -10.419 1.352 986 HB ILE 131 HB ILE 131 3.856 -9.321 -0.331 987 1HG1 ILE 131 1HG1 ILE 131 4.259 -12.273 0.207 988 2HG1 ILE 131 2HG1 ILE 131 3.125 -11.520 -0.914 989 1HG2 ILE 131 1HG2 ILE 131 5.811 -9.562 1.632 990 2HG2 ILE 131 2HG2 ILE 131 6.288 -10.762 0.429 991 3HG2 ILE 131 3HG2 ILE 131 6.085 -9.074 -0.042 992 1HD1 ILE 131 1HD1 ILE 131 5.425 -10.515 -1.895 993 2HD1 ILE 131 2HD1 ILE 131 6.041 -12.025 -1.225 994 3HD1 ILE 131 3HD1 ILE 131 4.758 -12.055 -2.435 995 H GLU 132 H GLU 132 5.153 -10.064 3.480 996 HA GLU 132 HA GLU 132 5.781 -12.896 3.624 997 1HB GLU 132 1HB GLU 132 6.577 -10.435 5.126 998 2HB GLU 132 2HB GLU 132 6.861 -12.003 5.884 999 1HG GLU 132 1HG GLU 132 7.677 -11.573 3.025 1000 2HG GLU 132 2HG GLU 132 8.707 -10.970 4.324 1001 H LEU 133 H LEU 133 3.925 -10.662 5.707 1002 HA LEU 133 HA LEU 133 3.259 -12.674 7.656 1003 1HB LEU 133 1HB LEU 133 1.762 -11.057 8.574 1004 2HB LEU 133 2HB LEU 133 3.128 -10.138 7.941 1005 HG LEU 133 HG LEU 133 1.575 -10.193 5.733 1006 1HD1 LEU 133 1HD1 LEU 133 -0.242 -10.489 8.122 1007 2HD1 LEU 133 2HD1 LEU 133 -0.774 -9.625 6.680 1008 3HD1 LEU 133 3HD1 LEU 133 -0.318 -11.325 6.572 1009 1HD2 LEU 133 1HD2 LEU 133 2.563 -8.231 7.025 1010 2HD2 LEU 133 2HD2 LEU 133 1.006 -7.919 6.254 1011 3HD2 LEU 133 3HD2 LEU 133 1.085 -8.231 7.988 1012 H THR 134 H THR 134 2.193 -12.212 4.463 1013 HA THR 134 HA THR 134 -0.543 -12.869 4.554 1014 HB THR 134 HB THR 134 -0.199 -13.875 2.300 1015 HG1 THR 134 HG1 THR 134 1.751 -14.864 2.529 1016 1HG2 THR 134 1HG2 THR 134 0.970 -11.233 3.078 1017 2HG2 THR 134 2HG2 THR 134 1.157 -11.781 1.412 1018 3HG2 THR 134 3HG2 THR 134 -0.455 -11.582 2.098 1019 H LYS 135 H LYS 135 2.281 -15.033 4.670 1020 HA LYS 135 HA LYS 135 0.961 -17.512 4.551 1021 1HB LYS 135 1HB LYS 135 3.440 -16.573 5.977 1022 2HB LYS 135 2HB LYS 135 2.862 -18.225 6.203 1023 1HG LYS 135 1HG LYS 135 3.002 -17.235 3.401 1024 2HG LYS 135 2HG LYS 135 4.539 -17.548 4.208 1025 1HD LYS 135 1HD LYS 135 4.253 -19.735 3.763 1026 2HD LYS 135 2HD LYS 135 2.883 -19.726 4.874 1027 1HE LYS 135 1HE LYS 135 1.374 -19.808 3.186 1028 2HE LYS 135 2HE LYS 135 2.242 -18.598 2.241 1029 1HZ LYS 135 1HZ LYS 135 3.822 -20.311 1.583 1030 2HZ LYS 135 2HZ LYS 135 2.960 -21.471 2.474 1031 3HZ LYS 135 3HZ LYS 135 2.246 -20.729 1.123 1032 H LYS 136 H LYS 136 1.439 -15.372 7.357 1033 HA LYS 136 HA LYS 136 -0.194 -17.206 9.019 1034 1HB LYS 136 1HB LYS 136 1.371 -14.690 9.656 1035 2HB LYS 136 2HB LYS 136 0.369 -15.530 10.839 1036 1HG LYS 136 1HG LYS 136 1.814 -17.616 9.860 1037 2HG LYS 136 2HG LYS 136 2.988 -16.310 9.692 1038 1HD LYS 136 1HD LYS 136 1.478 -16.455 12.259 1039 2HD LYS 136 2HD LYS 136 2.712 -17.684 11.981 1040 1HE LYS 136 1HE LYS 136 3.748 -15.124 11.184 1041 2HE LYS 136 2HE LYS 136 3.101 -14.999 12.820 1042 1HZ LYS 136 1HZ LYS 136 4.359 -17.273 13.074 1043 2HZ LYS 136 2HZ LYS 136 5.301 -16.640 11.808 1044 3HZ LYS 136 3HZ LYS 136 5.167 -15.792 13.271 1045 H ALA 137 H ALA 137 -1.555 -15.950 6.862 1046 HA ALA 137 HA ALA 137 -3.152 -13.820 8.208 1047 1HB ALA 137 1HB ALA 137 -2.205 -13.334 5.943 1048 2HB ALA 137 2HB ALA 137 -3.166 -14.663 5.295 1049 3HB ALA 137 3HB ALA 137 -3.966 -13.250 5.984 1050 H MET 138 H MET 138 -3.219 -17.049 8.075 1051 HA MET 138 HA MET 138 -6.072 -17.360 7.369 1052 1HB MET 138 1HB MET 138 -3.951 -19.336 8.256 1053 2HB MET 138 2HB MET 138 -5.623 -19.781 7.913 1054 1HG MET 138 1HG MET 138 -5.001 -20.016 5.757 1055 2HG MET 138 2HG MET 138 -4.859 -18.259 5.701 1056 1HE MET 138 1HE MET 138 -3.602 -21.524 6.215 1057 2HE MET 138 2HE MET 138 -1.984 -21.542 5.499 1058 3HE MET 138 3HE MET 138 -2.183 -21.276 7.229 Start of MODEL 14 1 1H ALA 1 1H ALA 1 -21.366 -3.436 12.076 2 2H ALA 1 2H ALA 1 -22.986 -3.123 11.671 3 3H ALA 1 3H ALA 1 -22.460 -4.721 11.912 4 HA ALA 1 HA ALA 1 -21.733 -4.929 9.835 5 1HB ALA 1 1HB ALA 1 -23.895 -3.289 9.833 6 2HB ALA 1 2HB ALA 1 -22.722 -2.252 9.020 7 3HB ALA 1 3HB ALA 1 -23.101 -3.841 8.358 8 H MET 2 H MET 2 -21.377 -1.384 10.233 9 HA MET 2 HA MET 2 -19.532 -0.006 9.765 10 1HB MET 2 1HB MET 2 -18.328 -2.472 10.996 11 2HB MET 2 2HB MET 2 -17.276 -1.197 10.381 12 1HG MET 2 1HG MET 2 -17.783 0.200 12.091 13 2HG MET 2 2HG MET 2 -19.502 -0.185 12.006 14 1HE MET 2 1HE MET 2 -16.354 -2.025 12.183 15 2HE MET 2 2HE MET 2 -16.255 -2.827 13.757 16 3HE MET 2 3HE MET 2 -17.222 -3.532 12.464 17 H THR 3 H THR 3 -20.458 -0.834 7.437 18 HA THR 3 HA THR 3 -18.018 -1.698 5.945 19 HB THR 3 HB THR 3 -19.486 -2.983 4.408 20 HG1 THR 3 HG1 THR 3 -21.388 -1.867 6.087 21 1HG2 THR 3 1HG2 THR 3 -19.007 -3.598 7.232 22 2HG2 THR 3 2HG2 THR 3 -20.340 -4.520 6.540 23 3HG2 THR 3 3HG2 THR 3 -18.740 -4.595 5.805 24 H TYR 4 H TYR 4 -18.064 -1.014 3.659 25 HA TYR 4 HA TYR 4 -20.008 0.965 2.790 26 1HB TYR 4 1HB TYR 4 -18.449 2.873 2.701 27 2HB TYR 4 2HB TYR 4 -18.664 2.328 4.361 28 HD1 TYR 4 HD1 TYR 4 -16.974 0.371 5.079 29 HD2 TYR 4 HD2 TYR 4 -16.260 3.249 1.975 30 HE1 TYR 4 HE1 TYR 4 -14.543 -0.004 5.304 31 HE2 TYR 4 HE2 TYR 4 -13.815 2.877 2.190 32 HH TYR 4 HH TYR 4 -12.494 0.265 3.729 33 H HIS 5 H HIS 5 -17.778 2.217 1.131 34 HA HIS 5 HA HIS 5 -17.068 -0.112 -0.621 35 1HB HIS 5 1HB HIS 5 -19.049 0.725 -1.665 36 2HB HIS 5 2HB HIS 5 -18.610 2.402 -1.351 37 HD1 HIS 5 HD1 HIS 5 -16.112 3.018 -2.593 38 HD2 HIS 5 HD2 HIS 5 -18.529 0.065 -4.262 39 HE1 HIS 5 HE1 HIS 5 -15.331 2.721 -4.983 40 H LEU 6 H LEU 6 -15.094 0.359 -1.841 41 HA LEU 6 HA LEU 6 -13.884 3.016 -1.437 42 1HB LEU 6 1HB LEU 6 -11.888 2.254 -0.459 43 2HB LEU 6 2HB LEU 6 -13.125 1.316 0.377 44 HG LEU 6 HG LEU 6 -12.759 -0.390 -1.551 45 1HD1 LEU 6 1HD1 LEU 6 -10.567 1.555 -1.916 46 2HD1 LEU 6 2HD1 LEU 6 -10.047 -0.130 -1.886 47 3HD1 LEU 6 3HD1 LEU 6 -11.243 0.402 -3.065 48 1HD2 LEU 6 1HD2 LEU 6 -11.399 0.075 0.983 49 2HD2 LEU 6 2HD2 LEU 6 -12.039 -1.428 0.322 50 3HD2 LEU 6 3HD2 LEU 6 -10.420 -0.889 -0.122 51 H ASP 7 H ASP 7 -12.058 3.372 -2.987 52 HA ASP 7 HA ASP 7 -12.065 1.422 -5.248 53 1HB ASP 7 1HB ASP 7 -13.525 3.669 -5.444 54 2HB ASP 7 2HB ASP 7 -11.958 4.326 -5.917 55 H VAL 8 H VAL 8 -9.949 0.774 -4.490 56 HA VAL 8 HA VAL 8 -7.845 2.867 -4.579 57 HB VAL 8 HB VAL 8 -7.914 1.313 -2.636 58 1HG1 VAL 8 1HG1 VAL 8 -8.494 -0.594 -4.578 59 2HG1 VAL 8 2HG1 VAL 8 -6.834 -0.967 -4.117 60 3HG1 VAL 8 3HG1 VAL 8 -8.101 -0.928 -2.892 61 1HG2 VAL 8 1HG2 VAL 8 -5.665 1.769 -4.434 62 2HG2 VAL 8 2HG2 VAL 8 -5.718 1.843 -2.674 63 3HG2 VAL 8 3HG2 VAL 8 -5.455 0.299 -3.484 64 H VAL 9 H VAL 9 -7.393 3.188 -6.747 65 HA VAL 9 HA VAL 9 -6.786 0.763 -8.385 66 HB VAL 9 HB VAL 9 -7.553 3.590 -9.153 67 1HG1 VAL 9 1HG1 VAL 9 -6.081 1.517 -10.639 68 2HG1 VAL 9 2HG1 VAL 9 -7.505 2.127 -11.481 69 3HG1 VAL 9 3HG1 VAL 9 -6.238 3.242 -10.971 70 1HG2 VAL 9 1HG2 VAL 9 -9.046 1.267 -8.615 71 2HG2 VAL 9 2HG2 VAL 9 -9.623 2.730 -9.415 72 3HG2 VAL 9 3HG2 VAL 9 -9.000 1.387 -10.375 73 H SER 10 H SER 10 -4.785 0.703 -9.541 74 HA SER 10 HA SER 10 -2.882 2.903 -9.326 75 1HB SER 10 1HB SER 10 -1.209 1.270 -8.132 76 2HB SER 10 2HB SER 10 -2.370 2.176 -7.166 77 HG SER 10 HG SER 10 -2.627 -0.492 -8.114 78 H ALA 11 H ALA 11 -1.171 2.638 -10.795 79 HA ALA 11 HA ALA 11 -0.090 1.770 -12.683 80 1HB ALA 11 1HB ALA 11 -0.778 -0.821 -11.268 81 2HB ALA 11 2HB ALA 11 0.296 -0.706 -12.662 82 3HB ALA 11 3HB ALA 11 0.735 0.079 -11.144 83 H GLU 12 H GLU 12 -2.010 -1.139 -12.658 84 HA GLU 12 HA GLU 12 -3.620 -0.018 -14.919 85 1HB GLU 12 1HB GLU 12 -2.293 -2.704 -14.567 86 2HB GLU 12 2HB GLU 12 -3.661 -2.505 -15.662 87 1HG GLU 12 1HG GLU 12 -2.108 -0.367 -16.367 88 2HG GLU 12 2HG GLU 12 -0.878 -1.557 -15.936 89 H GLN 13 H GLN 13 -4.458 0.045 -12.176 90 HA GLN 13 HA GLN 13 -6.357 -0.453 -10.916 91 1HB GLN 13 1HB GLN 13 -7.163 -0.528 -13.565 92 2HB GLN 13 2HB GLN 13 -7.681 -2.098 -12.953 93 1HG GLN 13 1HG GLN 13 -8.338 -0.284 -10.917 94 2HG GLN 13 2HG GLN 13 -8.790 0.531 -12.415 95 1HE2 GLN 13 2HE2 GLN 13 -9.544 -1.703 -14.000 96 2HE2 GLN 13 1HE2 GLN 13 -10.907 -2.436 -13.305 97 H GLN 14 H GLN 14 -7.946 -2.860 -11.201 98 HA GLN 14 HA GLN 14 -7.928 -5.129 -10.571 99 1HB GLN 14 1HB GLN 14 -5.571 -4.793 -12.125 100 2HB GLN 14 2HB GLN 14 -5.121 -5.726 -10.696 101 1HG GLN 14 1HG GLN 14 -7.517 -6.879 -11.386 102 2HG GLN 14 2HG GLN 14 -6.836 -6.486 -12.965 103 1HE2 GLN 14 2HE2 GLN 14 -4.173 -6.949 -12.777 104 2HE2 GLN 14 1HE2 GLN 14 -3.839 -8.531 -12.262 105 H MET 15 H MET 15 -8.131 -3.606 -8.480 106 HA MET 15 HA MET 15 -6.236 -4.772 -6.516 107 1HB MET 15 1HB MET 15 -6.229 -2.013 -7.341 108 2HB MET 15 2HB MET 15 -6.735 -2.116 -5.654 109 1HG MET 15 1HG MET 15 -4.366 -2.000 -5.561 110 2HG MET 15 2HG MET 15 -4.736 -3.708 -5.332 111 1HE MET 15 1HE MET 15 -2.708 -4.683 -5.855 112 2HE MET 15 2HE MET 15 -1.728 -4.523 -7.310 113 3HE MET 15 3HE MET 15 -1.793 -3.199 -6.151 114 H PHE 16 H PHE 16 -8.804 -2.278 -6.401 115 HA PHE 16 HA PHE 16 -10.679 -4.118 -5.138 116 1HB PHE 16 1HB PHE 16 -9.013 -3.492 -3.301 117 2HB PHE 16 2HB PHE 16 -9.646 -1.850 -3.420 118 HD1 PHE 16 HD1 PHE 16 -11.986 -1.354 -2.827 119 HD2 PHE 16 HD2 PHE 16 -10.353 -5.293 -2.359 120 HE1 PHE 16 HE1 PHE 16 -13.912 -1.970 -1.429 121 HE2 PHE 16 HE2 PHE 16 -12.285 -5.917 -0.936 122 HZ PHE 16 HZ PHE 16 -14.066 -4.252 -0.469 123 H SER 17 H SER 17 -12.715 -3.380 -5.553 124 HA SER 17 HA SER 17 -13.331 -0.526 -5.641 125 1HB SER 17 1HB SER 17 -14.049 -0.502 -7.997 126 2HB SER 17 2HB SER 17 -12.329 -0.865 -7.878 127 HG SER 17 HG SER 17 -13.884 -2.248 -9.230 128 H GLY 18 H GLY 18 -15.106 -0.757 -4.336 129 1HA GLY 18 1HA GLY 18 -17.625 -1.347 -5.008 130 2HA GLY 18 2HA GLY 18 -16.996 -2.984 -4.818 131 H LEU 19 H LEU 19 -18.533 -3.196 -3.001 132 HA LEU 19 HA LEU 19 -18.656 -1.625 -0.699 133 1HB LEU 19 1HB LEU 19 -19.103 -3.805 0.542 134 2HB LEU 19 2HB LEU 19 -20.134 -3.499 -0.850 135 HG LEU 19 HG LEU 19 -18.972 -5.865 -0.489 136 1HD1 LEU 19 1HD1 LEU 19 -20.210 -4.569 -2.582 137 2HD1 LEU 19 2HD1 LEU 19 -18.686 -5.090 -3.301 138 3HD1 LEU 19 3HD1 LEU 19 -19.762 -6.275 -2.560 139 1HD2 LEU 19 1HD2 LEU 19 -16.858 -4.264 -1.977 140 2HD2 LEU 19 2HD2 LEU 19 -16.670 -5.032 -0.407 141 3HD2 LEU 19 3HD2 LEU 19 -16.886 -6.025 -1.849 142 H VAL 20 H VAL 20 -17.657 -2.622 1.567 143 HA VAL 20 HA VAL 20 -15.166 -3.859 1.649 144 HB VAL 20 HB VAL 20 -13.924 -2.371 0.441 145 1HG1 VAL 20 1HG1 VAL 20 -16.175 -0.558 1.018 146 2HG1 VAL 20 2HG1 VAL 20 -14.617 0.218 0.727 147 3HG1 VAL 20 3HG1 VAL 20 -15.316 -0.849 -0.492 148 1HG2 VAL 20 1HG2 VAL 20 -14.136 -0.923 3.080 149 2HG2 VAL 20 2HG2 VAL 20 -12.930 -2.136 2.621 150 3HG2 VAL 20 3HG2 VAL 20 -12.939 -0.559 1.830 151 H GLU 21 H GLU 21 -15.251 -4.448 3.742 152 HA GLU 21 HA GLU 21 -16.650 -2.930 5.749 153 1HB GLU 21 1HB GLU 21 -16.231 -5.438 5.791 154 2HB GLU 21 2HB GLU 21 -14.567 -5.072 6.243 155 1HG GLU 21 1HG GLU 21 -16.054 -3.498 7.978 156 2HG GLU 21 2HG GLU 21 -16.995 -4.986 7.876 157 H LYS 22 H LYS 22 -13.175 -3.382 5.024 158 HA LYS 22 HA LYS 22 -12.505 -0.729 5.828 159 1HB LYS 22 1HB LYS 22 -12.840 -2.606 7.997 160 2HB LYS 22 2HB LYS 22 -11.164 -2.060 7.921 161 1HG LYS 22 1HG LYS 22 -11.934 0.289 7.872 162 2HG LYS 22 2HG LYS 22 -13.606 -0.264 7.972 163 1HD LYS 22 1HD LYS 22 -13.297 -0.025 10.216 164 2HD LYS 22 2HD LYS 22 -12.506 -1.596 10.080 165 1HE LYS 22 1HE LYS 22 -10.333 -0.418 9.697 166 2HE LYS 22 2HE LYS 22 -11.154 1.116 9.986 167 1HZ LYS 22 1HZ LYS 22 -11.572 -0.926 12.001 168 2HZ LYS 22 2HZ LYS 22 -9.986 -0.324 11.900 169 3HZ LYS 22 3HZ LYS 22 -11.279 0.737 12.181 170 H ILE 23 H ILE 23 -10.374 -0.257 5.333 171 HA ILE 23 HA ILE 23 -8.738 -2.523 4.272 172 HB ILE 23 HB ILE 23 -7.647 -0.925 2.853 173 1HG1 ILE 23 1HG1 ILE 23 -9.214 1.269 4.227 174 2HG1 ILE 23 2HG1 ILE 23 -7.561 0.850 4.680 175 1HG2 ILE 23 1HG2 ILE 23 -10.487 -1.256 2.877 176 2HG2 ILE 23 2HG2 ILE 23 -10.138 0.397 2.375 177 3HG2 ILE 23 3HG2 ILE 23 -9.438 -0.959 1.491 178 1HD1 ILE 23 1HD1 ILE 23 -7.556 1.069 1.867 179 2HD1 ILE 23 2HD1 ILE 23 -8.481 2.452 2.456 180 3HD1 ILE 23 3HD1 ILE 23 -6.831 2.187 3.023 181 H GLN 24 H GLN 24 -6.275 -0.927 4.337 182 HA GLN 24 HA GLN 24 -5.734 0.080 6.953 183 1HB GLN 24 1HB GLN 24 -6.206 -2.550 7.193 184 2HB GLN 24 2HB GLN 24 -4.502 -2.628 6.746 185 1HG GLN 24 1HG GLN 24 -4.002 -2.172 8.894 186 2HG GLN 24 2HG GLN 24 -4.664 -0.558 8.635 187 1HE2 GLN 24 2HE2 GLN 24 -5.327 -0.782 11.010 188 2HE2 GLN 24 1HE2 GLN 24 -6.781 -1.585 11.359 189 H VAL 25 H VAL 25 -4.548 1.520 5.534 190 HA VAL 25 HA VAL 25 -2.167 0.333 4.204 191 HB VAL 25 HB VAL 25 -1.996 2.922 3.517 192 1HG1 VAL 25 1HG1 VAL 25 -3.776 0.775 2.352 193 2HG1 VAL 25 2HG1 VAL 25 -3.468 2.302 1.527 194 3HG1 VAL 25 3HG1 VAL 25 -2.135 1.200 1.869 195 1HG2 VAL 25 1HG2 VAL 25 -4.008 3.458 4.953 196 2HG2 VAL 25 2HG2 VAL 25 -4.172 3.938 3.264 197 3HG2 VAL 25 3HG2 VAL 25 -4.976 2.481 3.849 198 H THR 26 H THR 26 -0.199 0.512 5.136 199 HA THR 26 HA THR 26 0.195 2.634 7.204 200 HB THR 26 HB THR 26 -0.178 0.356 8.224 201 HG1 THR 26 HG1 THR 26 2.012 0.462 9.309 202 1HG2 THR 26 1HG2 THR 26 1.247 -0.603 6.148 203 2HG2 THR 26 2HG2 THR 26 2.539 -0.468 7.342 204 3HG2 THR 26 3HG2 THR 26 1.119 -1.456 7.687 205 H GLY 27 H GLY 27 2.199 3.644 7.118 206 1HA GLY 27 1HA GLY 27 4.665 3.073 6.393 207 2HA GLY 27 2HA GLY 27 3.916 2.895 4.805 208 H SER 28 H SER 28 3.583 5.283 7.457 209 HA SER 28 HA SER 28 4.783 7.430 5.973 210 1HB SER 28 1HB SER 28 2.793 8.701 5.369 211 2HB SER 28 2HB SER 28 2.706 7.114 4.612 212 HG SER 28 HG SER 28 0.817 8.051 5.906 213 H GLU 29 H GLU 29 3.188 9.554 7.030 214 HA GLU 29 HA GLU 29 4.013 9.374 9.851 215 1HB GLU 29 1HB GLU 29 2.595 11.705 8.555 216 2HB GLU 29 2HB GLU 29 3.697 11.722 9.933 217 1HG GLU 29 1HG GLU 29 5.248 12.335 8.380 218 2HG GLU 29 2HG GLU 29 5.291 10.609 8.018 219 H GLY 30 H GLY 30 1.985 7.568 9.406 220 1HA GLY 30 1HA GLY 30 -0.038 8.489 11.270 221 2HA GLY 30 2HA GLY 30 -0.678 8.342 9.632 222 H GLU 31 H GLU 31 -1.992 6.526 10.002 223 HA GLU 31 HA GLU 31 -0.967 3.964 9.639 224 1HB GLU 31 1HB GLU 31 -1.260 3.095 12.075 225 2HB GLU 31 2HB GLU 31 0.236 3.934 11.664 226 1HG GLU 31 1HG GLU 31 -1.751 5.866 12.441 227 2HG GLU 31 2HG GLU 31 -1.627 4.624 13.687 228 H LEU 32 H LEU 32 -3.078 4.449 8.490 229 HA LEU 32 HA LEU 32 -5.273 3.164 9.983 230 1HB LEU 32 1HB LEU 32 -5.304 6.033 9.117 231 2HB LEU 32 2HB LEU 32 -6.800 5.097 8.976 232 HG LEU 32 HG LEU 32 -5.145 5.429 11.503 233 1HD1 LEU 32 1HD1 LEU 32 -7.218 7.026 10.284 234 2HD1 LEU 32 2HD1 LEU 32 -7.801 6.351 11.805 235 3HD1 LEU 32 3HD1 LEU 32 -6.330 7.324 11.778 236 1HD2 LEU 32 1HD2 LEU 32 -7.317 3.603 10.697 237 2HD2 LEU 32 2HD2 LEU 32 -6.161 3.460 12.021 238 3HD2 LEU 32 3HD2 LEU 32 -7.610 4.447 12.218 239 H GLY 33 H GLY 33 -7.261 3.118 8.383 240 1HA GLY 33 1HA GLY 33 -6.254 2.665 5.607 241 2HA GLY 33 2HA GLY 33 -7.306 1.486 6.402 242 H ILE 34 H ILE 34 -9.457 1.749 6.071 243 HA ILE 34 HA ILE 34 -10.586 4.444 5.881 244 HB ILE 34 HB ILE 34 -10.561 2.563 3.511 245 1HG1 ILE 34 1HG1 ILE 34 -8.779 4.270 3.685 246 2HG1 ILE 34 2HG1 ILE 34 -9.886 4.656 2.364 247 1HG2 ILE 34 1HG2 ILE 34 -12.904 3.382 4.117 248 2HG2 ILE 34 2HG2 ILE 34 -12.310 5.017 3.854 249 3HG2 ILE 34 3HG2 ILE 34 -12.330 3.862 2.522 250 1HD1 ILE 34 1HD1 ILE 34 -11.193 5.979 4.223 251 2HD1 ILE 34 2HD1 ILE 34 -9.634 5.960 5.059 252 3HD1 ILE 34 3HD1 ILE 34 -9.774 6.709 3.465 253 H TYR 35 H TYR 35 -12.665 4.464 6.584 254 HA TYR 35 HA TYR 35 -14.098 1.869 6.869 255 1HB TYR 35 1HB TYR 35 -14.752 3.267 9.178 256 2HB TYR 35 2HB TYR 35 -13.640 1.906 9.097 257 HD1 TYR 35 HD1 TYR 35 -11.147 2.597 8.304 258 HD2 TYR 35 HD2 TYR 35 -14.006 5.245 10.117 259 HE1 TYR 35 HE1 TYR 35 -9.311 4.099 9.009 260 HE2 TYR 35 HE2 TYR 35 -12.164 6.747 10.821 261 HH TYR 35 HH TYR 35 -8.957 6.400 9.636 262 HA PRO 36 HA PRO 36 -17.661 4.222 5.834 263 1HB PRO 36 1HB PRO 36 -19.553 3.484 7.692 264 2HB PRO 36 2HB PRO 36 -19.030 2.453 6.350 265 1HG PRO 36 1HG PRO 36 -18.328 2.268 9.248 266 2HG PRO 36 2HG PRO 36 -18.430 0.982 8.034 267 1HD PRO 36 1HD PRO 36 -16.051 2.135 8.967 268 2HD PRO 36 2HD PRO 36 -16.210 1.193 7.474 269 H GLY 37 H GLY 37 -15.908 5.111 8.438 270 1HA GLY 37 1HA GLY 37 -17.662 7.463 8.963 271 2HA GLY 37 2HA GLY 37 -16.865 6.632 10.299 272 H HIS 38 H HIS 38 -14.962 6.580 7.484 273 HA HIS 38 HA HIS 38 -12.812 8.017 8.599 274 1HB HIS 38 1HB HIS 38 -12.700 6.512 6.590 275 2HB HIS 38 2HB HIS 38 -13.452 7.794 5.643 276 HD1 HIS 38 HD1 HIS 38 -10.250 6.844 7.327 277 HD2 HIS 38 HD2 HIS 38 -11.775 10.070 5.173 278 HE1 HIS 38 HE1 HIS 38 -8.273 8.315 6.746 279 H ALA 39 H ALA 39 -12.578 10.152 9.017 280 HA ALA 39 HA ALA 39 -14.494 12.139 8.587 281 1HB ALA 39 1HB ALA 39 -11.958 12.039 9.707 282 2HB ALA 39 2HB ALA 39 -11.762 13.176 8.373 283 3HB ALA 39 3HB ALA 39 -12.979 13.474 9.612 284 HA PRO 40 HA PRO 40 -14.104 13.505 4.426 285 1HB PRO 40 1HB PRO 40 -13.879 16.238 4.638 286 2HB PRO 40 2HB PRO 40 -15.386 15.352 4.934 287 1HG PRO 40 1HG PRO 40 -13.526 16.604 6.900 288 2HG PRO 40 2HG PRO 40 -15.263 16.284 7.044 289 1HD PRO 40 1HD PRO 40 -13.189 14.748 8.205 290 2HD PRO 40 2HD PRO 40 -14.893 14.263 8.065 291 H LEU 41 H LEU 41 -11.909 12.479 4.211 292 HA LEU 41 HA LEU 41 -9.644 14.402 4.304 293 1HB LEU 41 1HB LEU 41 -9.922 11.568 4.737 294 2HB LEU 41 2HB LEU 41 -8.770 11.848 3.431 295 HG LEU 41 HG LEU 41 -7.680 11.840 5.673 296 1HD1 LEU 41 1HD1 LEU 41 -7.578 13.964 3.677 297 2HD1 LEU 41 2HD1 LEU 41 -7.059 14.532 5.264 298 3HD1 LEU 41 3HD1 LEU 41 -6.253 13.154 4.515 299 1HD2 LEU 41 1HD2 LEU 41 -9.928 13.565 6.255 300 2HD2 LEU 41 2HD2 LEU 41 -8.771 12.843 7.373 301 3HD2 LEU 41 3HD2 LEU 41 -8.418 14.398 6.622 302 H LEU 42 H LEU 42 -8.637 15.105 2.446 303 HA LEU 42 HA LEU 42 -9.145 13.772 -0.124 304 1HB LEU 42 1HB LEU 42 -10.665 16.092 0.724 305 2HB LEU 42 2HB LEU 42 -9.705 16.467 -0.708 306 HG LEU 42 HG LEU 42 -11.088 13.844 -0.738 307 1HD1 LEU 42 1HD1 LEU 42 -12.502 16.351 -0.216 308 2HD1 LEU 42 2HD1 LEU 42 -13.042 15.571 -1.703 309 3HD1 LEU 42 3HD1 LEU 42 -13.105 14.695 -0.173 310 1HD2 LEU 42 1HD2 LEU 42 -9.691 15.113 -2.571 311 2HD2 LEU 42 2HD2 LEU 42 -11.153 14.246 -3.043 312 3HD2 LEU 42 3HD2 LEU 42 -11.194 15.997 -2.835 313 H THR 43 H THR 43 -6.751 13.617 0.435 314 HA THR 43 HA THR 43 -5.356 15.912 -0.828 315 HB THR 43 HB THR 43 -3.814 16.225 0.921 316 HG1 THR 43 HG1 THR 43 -4.793 13.883 2.171 317 1HG2 THR 43 1HG2 THR 43 -6.518 15.586 2.118 318 2HG2 THR 43 2HG2 THR 43 -5.218 16.354 3.030 319 3HG2 THR 43 3HG2 THR 43 -5.907 17.165 1.623 320 H ALA 44 H ALA 44 -2.763 14.626 0.031 321 HA ALA 44 HA ALA 44 -2.795 12.481 -2.030 322 1HB ALA 44 1HB ALA 44 -0.927 14.546 -1.280 323 2HB ALA 44 2HB ALA 44 -0.153 12.969 -1.126 324 3HB ALA 44 3HB ALA 44 -0.866 13.456 -2.664 325 H ILE 45 H ILE 45 -1.232 10.601 -1.507 326 HA ILE 45 HA ILE 45 -1.366 9.926 1.401 327 HB ILE 45 HB ILE 45 -1.560 7.558 -0.261 328 1HG1 ILE 45 1HG1 ILE 45 -3.889 9.486 -0.504 329 2HG1 ILE 45 2HG1 ILE 45 -2.713 9.219 -1.791 330 1HG2 ILE 45 1HG2 ILE 45 -2.671 8.725 2.162 331 2HG2 ILE 45 2HG2 ILE 45 -3.908 7.888 1.223 332 3HG2 ILE 45 3HG2 ILE 45 -2.457 7.026 1.736 333 1HD1 ILE 45 1HD1 ILE 45 -4.045 6.842 -0.543 334 2HD1 ILE 45 2HD1 ILE 45 -4.947 7.804 -1.715 335 3HD1 ILE 45 3HD1 ILE 45 -3.426 7.043 -2.182 336 H LYS 46 H LYS 46 0.100 7.884 1.780 337 HA LYS 46 HA LYS 46 2.629 8.353 0.259 338 1HB LYS 46 1HB LYS 46 2.028 8.102 3.095 339 2HB LYS 46 2HB LYS 46 3.250 6.933 2.591 340 1HG LYS 46 1HG LYS 46 4.557 8.809 3.068 341 2HG LYS 46 2HG LYS 46 4.298 8.981 1.331 342 1HD LYS 46 1HD LYS 46 2.426 10.516 1.741 343 2HD LYS 46 2HD LYS 46 2.633 10.322 3.481 344 1HE LYS 46 1HE LYS 46 4.028 12.098 3.368 345 2HE LYS 46 2HE LYS 46 5.180 10.997 2.612 346 1HZ LYS 46 1HZ LYS 46 3.197 12.013 0.796 347 2HZ LYS 46 2HZ LYS 46 4.170 13.230 1.470 348 3HZ LYS 46 3HZ LYS 46 4.887 11.943 0.631 349 HA PRO 47 HA PRO 47 2.763 4.132 -0.939 350 1HB PRO 47 1HB PRO 47 5.402 3.483 -0.521 351 2HB PRO 47 2HB PRO 47 4.849 4.529 -1.840 352 1HG PRO 47 1HG PRO 47 6.248 5.273 0.685 353 2HG PRO 47 2HG PRO 47 6.228 6.112 -0.875 354 1HD PRO 47 1HD PRO 47 4.723 6.828 1.418 355 2HD PRO 47 2HD PRO 47 4.484 7.451 -0.229 356 H GLY 48 H GLY 48 3.780 1.858 -0.128 357 1HA GLY 48 1HA GLY 48 4.511 0.857 2.154 358 2HA GLY 48 2HA GLY 48 3.066 1.661 2.764 359 H MET 49 H MET 49 2.321 -0.515 3.383 360 HA MET 49 HA MET 49 1.323 -2.097 1.045 361 1HB MET 49 1HB MET 49 1.268 -4.035 2.546 362 2HB MET 49 2HB MET 49 2.884 -3.325 2.546 363 1HG MET 49 1HG MET 49 2.566 -3.512 4.825 364 2HG MET 49 2HG MET 49 1.854 -1.917 4.572 365 1HE MET 49 1HE MET 49 1.640 -5.464 4.687 366 2HE MET 49 2HE MET 49 0.439 -5.747 5.945 367 3HE MET 49 3HE MET 49 -0.025 -5.872 4.250 368 H ILE 50 H ILE 50 -0.814 -3.326 1.708 369 HA ILE 50 HA ILE 50 -2.468 -1.701 3.544 370 HB ILE 50 HB ILE 50 -2.751 -0.610 1.375 371 1HG1 ILE 50 1HG1 ILE 50 -5.087 -2.370 2.191 372 2HG1 ILE 50 2HG1 ILE 50 -4.725 -0.757 2.810 373 1HG2 ILE 50 1HG2 ILE 50 -3.174 -3.456 0.498 374 2HG2 ILE 50 2HG2 ILE 50 -3.962 -2.150 -0.387 375 3HG2 ILE 50 3HG2 ILE 50 -2.203 -2.194 -0.259 376 1HD1 ILE 50 1HD1 ILE 50 -4.821 -0.789 -0.097 377 2HD1 ILE 50 2HD1 ILE 50 -6.335 -1.358 0.606 378 3HD1 ILE 50 3HD1 ILE 50 -5.705 0.233 1.037 379 H ARG 51 H ARG 51 -4.254 -2.799 4.356 380 HA ARG 51 HA ARG 51 -4.556 -5.657 3.529 381 1HB ARG 51 1HB ARG 51 -5.231 -4.665 6.297 382 2HB ARG 51 2HB ARG 51 -4.843 -6.305 5.775 383 1HG ARG 51 1HG ARG 51 -2.534 -5.097 5.105 384 2HG ARG 51 2HG ARG 51 -3.016 -4.049 6.438 385 1HD ARG 51 1HD ARG 51 -3.413 -6.871 7.070 386 2HD ARG 51 2HD ARG 51 -1.733 -6.511 6.676 387 HE ARG 51 HE ARG 51 -3.274 -5.210 8.877 388 1HH1 ARG 51 1HH2 ARG 51 -1.005 -7.148 9.373 389 2HH1 ARG 51 2HH2 ARG 51 0.312 -6.068 9.689 390 1HH2 ARG 51 1HH1 ARG 51 -1.292 -3.300 8.352 391 2HH2 ARG 51 2HH1 ARG 51 0.148 -3.889 9.110 392 H ILE 52 H ILE 52 -6.878 -6.424 3.820 393 HA ILE 52 HA ILE 52 -8.847 -4.267 4.135 394 HB ILE 52 HB ILE 52 -7.821 -4.927 1.592 395 1HG1 ILE 52 1HG1 ILE 52 -10.339 -3.364 2.134 396 2HG1 ILE 52 2HG1 ILE 52 -8.729 -2.744 2.502 397 1HG2 ILE 52 1HG2 ILE 52 -9.625 -6.808 1.787 398 2HG2 ILE 52 2HG2 ILE 52 -10.779 -5.490 1.576 399 3HG2 ILE 52 3HG2 ILE 52 -9.582 -5.825 0.326 400 1HD1 ILE 52 1HD1 ILE 52 -8.687 -3.843 -0.137 401 2HD1 ILE 52 2HD1 ILE 52 -10.056 -2.739 -0.014 402 3HD1 ILE 52 3HD1 ILE 52 -8.426 -2.171 0.355 403 H VAL 53 H VAL 53 -11.041 -5.019 4.156 404 HA VAL 53 HA VAL 53 -11.400 -7.951 4.460 405 HB VAL 53 HB VAL 53 -12.058 -5.807 6.492 406 1HG1 VAL 53 1HG1 VAL 53 -14.083 -7.202 5.993 407 2HG1 VAL 53 2HG1 VAL 53 -13.150 -8.635 6.426 408 3HG1 VAL 53 3HG1 VAL 53 -13.487 -7.402 7.641 409 1HG2 VAL 53 1HG2 VAL 53 -10.633 -8.482 6.584 410 2HG2 VAL 53 2HG2 VAL 53 -9.913 -6.888 6.804 411 3HG2 VAL 53 3HG2 VAL 53 -11.022 -7.529 8.016 412 H LYS 54 H LYS 54 -12.741 -8.143 2.684 413 HA LYS 54 HA LYS 54 -14.509 -6.236 1.654 414 1HB LYS 54 1HB LYS 54 -14.563 -9.249 1.623 415 2HB LYS 54 2HB LYS 54 -15.820 -8.305 0.821 416 1HG LYS 54 1HG LYS 54 -14.432 -7.655 -0.855 417 2HG LYS 54 2HG LYS 54 -13.076 -7.397 0.244 418 1HD LYS 54 1HD LYS 54 -12.195 -9.291 -0.619 419 2HD LYS 54 2HD LYS 54 -13.433 -10.153 0.296 420 1HE LYS 54 1HE LYS 54 -14.384 -9.025 -2.255 421 2HE LYS 54 2HE LYS 54 -13.155 -10.276 -2.432 422 1HZ LYS 54 1HZ LYS 54 -14.577 -11.544 -0.736 423 2HZ LYS 54 2HZ LYS 54 -15.809 -10.459 -1.162 424 3HZ LYS 54 3HZ LYS 54 -15.118 -11.465 -2.345 425 H GLN 55 H GLN 55 -16.625 -5.633 2.078 426 HA GLN 55 HA GLN 55 -17.678 -5.546 4.609 427 1HB GLN 55 1HB GLN 55 -18.772 -4.365 2.808 428 2HB GLN 55 2HB GLN 55 -19.191 -5.878 2.005 429 1HG GLN 55 1HG GLN 55 -20.191 -6.070 4.649 430 2HG GLN 55 2HG GLN 55 -20.644 -4.473 4.055 431 1HE2 GLN 55 2HE2 GLN 55 -21.593 -4.532 1.693 432 2HE2 GLN 55 1HE2 GLN 55 -22.638 -5.823 1.342 433 H HIS 56 H HIS 56 -18.681 -8.066 2.253 434 HA HIS 56 HA HIS 56 -19.182 -9.845 4.607 435 1HB HIS 56 1HB HIS 56 -20.837 -9.228 2.214 436 2HB HIS 56 2HB HIS 56 -20.807 -10.912 2.736 437 HD1 HIS 56 HD1 HIS 56 -23.383 -10.456 3.426 438 HD2 HIS 56 HD2 HIS 56 -20.515 -8.439 5.682 439 HE1 HIS 56 HE1 HIS 56 -24.553 -9.660 5.527 440 H GLY 57 H GLY 57 -16.724 -9.578 2.978 441 1HA GLY 57 1HA GLY 57 -16.721 -12.240 1.616 442 2HA GLY 57 2HA GLY 57 -15.589 -10.936 1.253 443 H HIS 58 H HIS 58 -13.651 -10.960 2.304 444 HA HIS 58 HA HIS 58 -13.407 -12.251 4.943 445 1HB HIS 58 1HB HIS 58 -12.018 -13.274 2.454 446 2HB HIS 58 2HB HIS 58 -11.447 -13.637 4.084 447 HD1 HIS 58 HD1 HIS 58 -13.791 -14.374 5.661 448 HD2 HIS 58 HD2 HIS 58 -13.584 -15.381 1.622 449 HE1 HIS 58 HE1 HIS 58 -15.418 -16.282 5.315 450 H GLU 59 H GLU 59 -10.910 -11.611 2.495 451 HA GLU 59 HA GLU 59 -10.220 -8.991 3.341 452 1HB GLU 59 1HB GLU 59 -8.064 -9.727 4.601 453 2HB GLU 59 2HB GLU 59 -9.593 -9.741 5.481 454 1HG GLU 59 1HG GLU 59 -9.311 -12.248 4.122 455 2HG GLU 59 2HG GLU 59 -7.827 -11.928 5.019 456 H GLU 60 H GLU 60 -8.428 -8.199 2.139 457 HA GLU 60 HA GLU 60 -7.083 -10.210 0.383 458 1HB GLU 60 1HB GLU 60 -8.797 -7.958 -0.367 459 2HB GLU 60 2HB GLU 60 -7.217 -7.900 -1.148 460 1HG GLU 60 1HG GLU 60 -7.496 -10.132 -2.032 461 2HG GLU 60 2HG GLU 60 -8.975 -10.367 -1.101 462 H PHE 61 H PHE 61 -5.010 -9.394 -0.512 463 HA PHE 61 HA PHE 61 -3.766 -7.372 1.310 464 1HB PHE 61 1HB PHE 61 -2.962 -10.072 0.569 465 2HB PHE 61 2HB PHE 61 -1.703 -8.896 0.189 466 HD1 PHE 61 HD1 PHE 61 -4.106 -9.770 2.935 467 HD2 PHE 61 HD2 PHE 61 -0.248 -8.213 1.879 468 HE1 PHE 61 HE1 PHE 61 -3.505 -9.633 5.337 469 HE2 PHE 61 HE2 PHE 61 0.358 -8.078 4.283 470 HZ PHE 61 HZ PHE 61 -1.273 -8.787 6.011 471 H ILE 62 H ILE 62 -3.065 -5.564 0.276 472 HA ILE 62 HA ILE 62 -2.262 -5.788 -2.586 473 HB ILE 62 HB ILE 62 -4.138 -3.718 -1.404 474 1HG1 ILE 62 1HG1 ILE 62 -4.903 -5.159 -3.841 475 2HG1 ILE 62 2HG1 ILE 62 -4.673 -6.229 -2.457 476 1HG2 ILE 62 1HG2 ILE 62 -2.828 -3.917 -4.130 477 2HG2 ILE 62 2HG2 ILE 62 -4.179 -2.843 -3.764 478 3HG2 ILE 62 3HG2 ILE 62 -2.628 -2.621 -2.951 479 1HD1 ILE 62 1HD1 ILE 62 -6.381 -3.725 -2.422 480 2HD1 ILE 62 2HD1 ILE 62 -7.009 -5.360 -2.625 481 3HD1 ILE 62 3HD1 ILE 62 -6.217 -4.900 -1.118 482 H TYR 63 H TYR 63 -1.015 -3.770 -3.260 483 HA TYR 63 HA TYR 63 0.168 -2.235 -1.042 484 1HB TYR 63 1HB TYR 63 1.827 -3.799 -0.822 485 2HB TYR 63 2HB TYR 63 1.541 -4.476 -2.422 486 HD1 TYR 63 HD1 TYR 63 2.325 -3.123 -4.455 487 HD2 TYR 63 HD2 TYR 63 3.633 -2.314 -0.448 488 HE1 TYR 63 HE1 TYR 63 4.277 -1.887 -5.348 489 HE2 TYR 63 HE2 TYR 63 5.589 -1.073 -1.337 490 HH TYR 63 HH TYR 63 6.636 -0.352 -3.151 491 H LEU 64 H LEU 64 1.099 -0.288 -1.773 492 HA LEU 64 HA LEU 64 1.261 0.170 -4.695 493 1HB LEU 64 1HB LEU 64 0.006 2.451 -4.080 494 2HB LEU 64 2HB LEU 64 -0.886 1.007 -4.555 495 HG LEU 64 HG LEU 64 -0.241 1.102 -1.688 496 1HD1 LEU 64 1HD1 LEU 64 -0.850 3.554 -2.655 497 2HD1 LEU 64 2HD1 LEU 64 -2.477 2.914 -2.423 498 3HD1 LEU 64 3HD1 LEU 64 -1.361 2.998 -1.061 499 1HD2 LEU 64 1HD2 LEU 64 -2.502 0.399 -3.511 500 2HD2 LEU 64 2HD2 LEU 64 -1.794 -0.532 -2.191 501 3HD2 LEU 64 3HD2 LEU 64 -2.900 0.797 -1.839 502 H SER 65 H SER 65 1.805 2.808 -4.789 503 HA SER 65 HA SER 65 4.108 3.114 -2.902 504 1HB SER 65 1HB SER 65 3.785 4.025 -5.773 505 2HB SER 65 2HB SER 65 5.114 4.527 -4.734 506 HG SER 65 HG SER 65 4.508 1.800 -4.979 507 H GLY 66 H GLY 66 1.123 4.113 -3.029 508 1HA GLY 66 1HA GLY 66 0.229 5.995 -1.851 509 2HA GLY 66 2HA GLY 66 1.790 6.803 -2.009 510 H GLY 67 H GLY 67 -0.886 7.853 -2.669 511 1HA GLY 67 1HA GLY 67 -0.227 9.003 -5.255 512 2HA GLY 67 2HA GLY 67 -1.598 7.894 -5.349 513 H ILE 68 H ILE 68 -3.578 8.663 -4.776 514 HA ILE 68 HA ILE 68 -3.728 11.097 -3.068 515 HB ILE 68 HB ILE 68 -5.008 10.737 -5.791 516 1HG1 ILE 68 1HG1 ILE 68 -3.630 13.232 -4.954 517 2HG1 ILE 68 2HG1 ILE 68 -2.597 11.816 -5.162 518 1HG2 ILE 68 1HG2 ILE 68 -6.618 11.599 -4.062 519 2HG2 ILE 68 2HG2 ILE 68 -5.510 12.940 -3.770 520 3HG2 ILE 68 3HG2 ILE 68 -6.277 12.757 -5.348 521 1HD1 ILE 68 1HD1 ILE 68 -4.567 12.849 -7.225 522 2HD1 ILE 68 2HD1 ILE 68 -2.825 13.115 -7.269 523 3HD1 ILE 68 3HD1 ILE 68 -3.471 11.482 -7.429 524 H LEU 69 H LEU 69 -5.139 10.652 -1.436 525 HA LEU 69 HA LEU 69 -7.169 8.516 -1.907 526 1HB LEU 69 1HB LEU 69 -5.861 7.869 -0.060 527 2HB LEU 69 2HB LEU 69 -5.752 9.515 0.559 528 HG LEU 69 HG LEU 69 -8.468 8.282 0.347 529 1HD1 LEU 69 1HD1 LEU 69 -6.275 7.163 1.909 530 2HD1 LEU 69 2HD1 LEU 69 -7.606 7.693 2.937 531 3HD1 LEU 69 3HD1 LEU 69 -7.898 6.526 1.647 532 1HD2 LEU 69 1HD2 LEU 69 -7.303 10.617 1.425 533 2HD2 LEU 69 2HD2 LEU 69 -8.974 10.086 1.603 534 3HD2 LEU 69 3HD2 LEU 69 -7.772 9.634 2.812 535 H GLU 70 H GLU 70 -9.310 9.019 -1.809 536 HA GLU 70 HA GLU 70 -10.092 11.663 -0.665 537 1HB GLU 70 1HB GLU 70 -11.285 10.526 -3.205 538 2HB GLU 70 2HB GLU 70 -11.514 12.141 -2.533 539 1HG GLU 70 1HG GLU 70 -9.339 12.829 -3.112 540 2HG GLU 70 2HG GLU 70 -8.762 11.170 -3.282 541 H VAL 71 H VAL 71 -12.100 11.623 0.411 542 HA VAL 71 HA VAL 71 -13.307 8.901 0.673 543 HB VAL 71 HB VAL 71 -12.354 9.890 2.756 544 1HG1 VAL 71 1HG1 VAL 71 -14.394 12.036 2.127 545 2HG1 VAL 71 2HG1 VAL 71 -13.715 11.812 3.740 546 3HG1 VAL 71 3HG1 VAL 71 -12.661 12.235 2.391 547 1HG2 VAL 71 1HG2 VAL 71 -15.200 9.152 2.367 548 2HG2 VAL 71 2HG2 VAL 71 -13.995 8.450 3.445 549 3HG2 VAL 71 3HG2 VAL 71 -14.824 9.938 3.900 550 H GLN 72 H GLN 72 -15.508 8.656 0.298 551 HA GLN 72 HA GLN 72 -17.027 11.132 -0.406 552 1HB GLN 72 1HB GLN 72 -17.734 8.619 -1.836 553 2HB GLN 72 2HB GLN 72 -17.723 10.280 -2.419 554 1HG GLN 72 1HG GLN 72 -15.043 9.805 -1.944 555 2HG GLN 72 2HG GLN 72 -15.608 8.252 -2.557 556 1HE2 GLN 72 2HE2 GLN 72 -16.361 8.157 -4.770 557 2HE2 GLN 72 1HE2 GLN 72 -16.164 9.455 -5.846 558 HA PRO 73 HA PRO 73 -20.290 9.514 2.032 559 1HB PRO 73 1HB PRO 73 -22.530 9.924 0.495 560 2HB PRO 73 2HB PRO 73 -21.635 11.228 1.293 561 1HG PRO 73 1HG PRO 73 -21.704 10.496 -1.593 562 2HG PRO 73 2HG PRO 73 -21.344 12.059 -0.841 563 1HD PRO 73 1HD PRO 73 -19.452 10.221 -1.887 564 2HD PRO 73 2HD PRO 73 -19.090 11.653 -0.898 565 H GLY 74 H GLY 74 -19.686 7.217 1.980 566 1HA GLY 74 1HA GLY 74 -20.805 5.058 1.904 567 2HA GLY 74 2HA GLY 74 -21.656 5.590 0.455 568 H ASN 75 H ASN 75 -18.599 6.643 -0.034 569 HA ASN 75 HA ASN 75 -17.291 4.144 -0.752 570 1HB ASN 75 1HB ASN 75 -17.276 5.067 -3.277 571 2HB ASN 75 2HB ASN 75 -18.502 3.941 -2.697 572 1HD2 ASN 75 2HD2 ASN 75 -18.197 6.791 -4.388 573 2HD2 ASN 75 1HD2 ASN 75 -19.707 7.487 -4.041 574 H VAL 76 H VAL 76 -15.128 4.529 -1.592 575 HA VAL 76 HA VAL 76 -14.240 7.378 -1.485 576 HB VAL 76 HB VAL 76 -12.208 6.655 -0.255 577 1HG1 VAL 76 1HG1 VAL 76 -14.837 6.919 0.748 578 2HG1 VAL 76 2HG1 VAL 76 -14.110 5.576 1.629 579 3HG1 VAL 76 3HG1 VAL 76 -13.329 7.156 1.632 580 1HG2 VAL 76 1HG2 VAL 76 -12.481 4.232 -1.120 581 2HG2 VAL 76 2HG2 VAL 76 -11.928 4.442 0.541 582 3HG2 VAL 76 3HG2 VAL 76 -13.611 4.023 0.217 583 H THR 77 H THR 77 -11.808 7.402 -2.368 584 HA THR 77 HA THR 77 -11.290 5.304 -4.358 585 HB THR 77 HB THR 77 -11.736 8.139 -5.314 586 HG1 THR 77 HG1 THR 77 -13.490 6.197 -6.117 587 1HG2 THR 77 1HG2 THR 77 -10.298 6.135 -6.455 588 2HG2 THR 77 2HG2 THR 77 -11.898 5.797 -7.116 589 3HG2 THR 77 3HG2 THR 77 -11.151 7.372 -7.380 590 H VAL 78 H VAL 78 -9.189 4.999 -3.714 591 HA VAL 78 HA VAL 78 -7.427 7.409 -3.630 592 HB VAL 78 HB VAL 78 -6.043 6.285 -2.040 593 1HG1 VAL 78 1HG1 VAL 78 -8.786 6.728 -1.573 594 2HG1 VAL 78 2HG1 VAL 78 -8.419 5.181 -0.810 595 3HG1 VAL 78 3HG1 VAL 78 -7.508 6.622 -0.363 596 1HG2 VAL 78 1HG2 VAL 78 -7.546 3.857 -2.985 597 2HG2 VAL 78 2HG2 VAL 78 -5.807 4.085 -2.802 598 3HG2 VAL 78 3HG2 VAL 78 -6.820 3.859 -1.377 599 H LEU 79 H LEU 79 -6.225 7.537 -5.469 600 HA LEU 79 HA LEU 79 -5.618 5.025 -6.943 601 1HB LEU 79 1HB LEU 79 -6.181 7.775 -7.700 602 2HB LEU 79 2HB LEU 79 -4.684 7.204 -8.437 603 HG LEU 79 HG LEU 79 -6.351 5.032 -8.747 604 1HD1 LEU 79 1HD1 LEU 79 -8.125 6.884 -7.962 605 2HD1 LEU 79 2HD1 LEU 79 -8.055 7.299 -9.675 606 3HD1 LEU 79 3HD1 LEU 79 -8.522 5.672 -9.180 607 1HD2 LEU 79 1HD2 LEU 79 -4.845 6.656 -10.332 608 2HD2 LEU 79 2HD2 LEU 79 -5.902 5.392 -10.961 609 3HD2 LEU 79 3HD2 LEU 79 -6.463 7.064 -10.904 610 H ALA 80 H ALA 80 -3.377 5.131 -8.090 611 HA ALA 80 HA ALA 80 -1.267 6.516 -6.596 612 1HB ALA 80 1HB ALA 80 -2.051 4.105 -5.554 613 2HB ALA 80 2HB ALA 80 -0.777 3.604 -6.666 614 3HB ALA 80 3HB ALA 80 -0.427 4.773 -5.393 615 H ASP 81 H ASP 81 0.829 4.742 -7.473 616 HA ASP 81 HA ASP 81 0.508 4.907 -10.441 617 1HB ASP 81 1HB ASP 81 2.543 6.117 -8.671 618 2HB ASP 81 2HB ASP 81 3.190 5.288 -10.088 619 H THR 82 H THR 82 1.915 3.241 -7.676 620 HA THR 82 HA THR 82 2.843 1.077 -9.518 621 HB THR 82 HB THR 82 3.704 1.893 -6.737 622 HG1 THR 82 HG1 THR 82 4.957 2.890 -8.141 623 1HG2 THR 82 1HG2 THR 82 3.935 -0.747 -8.117 624 2HG2 THR 82 2HG2 THR 82 5.321 -0.171 -7.191 625 3HG2 THR 82 3HG2 THR 82 3.761 -0.390 -6.399 626 H ALA 83 H ALA 83 2.307 -1.127 -8.935 627 HA ALA 83 HA ALA 83 0.371 -1.540 -6.752 628 1HB ALA 83 1HB ALA 83 -0.797 -0.806 -9.000 629 2HB ALA 83 2HB ALA 83 -0.476 -2.474 -9.476 630 3HB ALA 83 3HB ALA 83 -1.466 -2.137 -8.055 631 H ILE 84 H ILE 84 1.051 -3.386 -5.794 632 HA ILE 84 HA ILE 84 1.897 -5.659 -7.513 633 HB ILE 84 HB ILE 84 3.459 -4.433 -5.234 634 1HG1 ILE 84 1HG1 ILE 84 5.300 -4.844 -7.008 635 2HG1 ILE 84 2HG1 ILE 84 3.966 -5.089 -8.137 636 1HG2 ILE 84 1HG2 ILE 84 3.205 -6.883 -4.872 637 2HG2 ILE 84 2HG2 ILE 84 3.863 -7.165 -6.485 638 3HG2 ILE 84 3HG2 ILE 84 4.869 -6.427 -5.238 639 1HD1 ILE 84 1HD1 ILE 84 3.315 -2.756 -6.703 640 2HD1 ILE 84 2HD1 ILE 84 5.029 -2.607 -7.088 641 3HD1 ILE 84 3HD1 ILE 84 3.852 -2.853 -8.379 642 H ARG 85 H ARG 85 -0.008 -6.786 -6.995 643 HA ARG 85 HA ARG 85 -1.421 -6.976 -4.645 644 1HB ARG 85 1HB ARG 85 -1.793 -8.273 -6.828 645 2HB ARG 85 2HB ARG 85 -0.669 -9.470 -6.179 646 1HG ARG 85 1HG ARG 85 -2.085 -9.964 -4.339 647 2HG ARG 85 2HG ARG 85 -3.058 -8.517 -4.597 648 1HD ARG 85 1HD ARG 85 -2.916 -10.413 -6.877 649 2HD ARG 85 2HD ARG 85 -3.813 -10.966 -5.461 650 HE ARG 85 HE ARG 85 -5.137 -8.794 -5.694 651 1HH1 ARG 85 1HH2 ARG 85 -5.759 -10.868 -7.835 652 2HH1 ARG 85 2HH2 ARG 85 -5.732 -9.892 -9.266 653 1HH2 ARG 85 1HH1 ARG 85 -4.099 -7.238 -7.747 654 2HH2 ARG 85 2HH1 ARG 85 -4.793 -7.836 -9.216 655 H GLY 86 H GLY 86 -1.369 -8.603 -2.876 656 1HA GLY 86 1HA GLY 86 1.013 -8.583 -1.402 657 2HA GLY 86 2HA GLY 86 -0.266 -9.773 -1.162 658 H GLN 87 H GLN 87 0.055 -10.704 -4.010 659 HA GLN 87 HA GLN 87 2.769 -11.855 -4.017 660 1HB GLN 87 1HB GLN 87 0.297 -13.393 -3.353 661 2HB GLN 87 2HB GLN 87 1.504 -14.176 -4.375 662 1HG GLN 87 1HG GLN 87 3.121 -13.116 -2.486 663 2HG GLN 87 2HG GLN 87 1.670 -13.389 -1.519 664 1HE2 GLN 87 2HE2 GLN 87 3.884 -15.092 -3.788 665 2HE2 GLN 87 1HE2 GLN 87 3.645 -16.628 -3.108 666 H ASP 88 H ASP 88 3.047 -10.851 -6.030 667 HA ASP 88 HA ASP 88 1.127 -11.500 -8.197 668 1HB ASP 88 1HB ASP 88 2.133 -9.168 -7.837 669 2HB ASP 88 2HB ASP 88 3.647 -9.847 -8.436 670 H LEU 89 H LEU 89 4.682 -11.608 -7.757 671 HA LEU 89 HA LEU 89 4.708 -13.955 -9.610 672 1HB LEU 89 1HB LEU 89 6.355 -11.553 -9.427 673 2HB LEU 89 2HB LEU 89 7.328 -13.023 -9.378 674 HG LEU 89 HG LEU 89 5.185 -13.143 -11.372 675 1HD1 LEU 89 1HD1 LEU 89 5.733 -10.705 -11.452 676 2HD1 LEU 89 2HD1 LEU 89 7.418 -11.126 -11.759 677 3HD1 LEU 89 3HD1 LEU 89 6.174 -11.552 -12.935 678 1HD2 LEU 89 1HD2 LEU 89 7.964 -13.966 -10.949 679 2HD2 LEU 89 2HD2 LEU 89 6.706 -14.729 -11.922 680 3HD2 LEU 89 3HD2 LEU 89 7.667 -13.414 -12.597 681 H ASP 90 H ASP 90 7.263 -12.838 -7.432 682 HA ASP 90 HA ASP 90 6.918 -15.367 -5.873 683 1HB ASP 90 1HB ASP 90 9.412 -14.128 -7.032 684 2HB ASP 90 2HB ASP 90 9.500 -15.190 -5.626 685 H GLU 91 H GLU 91 8.001 -15.193 -3.674 686 HA GLU 91 HA GLU 91 7.667 -12.409 -2.634 687 1HB GLU 91 1HB GLU 91 7.292 -13.615 -0.412 688 2HB GLU 91 2HB GLU 91 6.025 -13.823 -1.623 689 1HG GLU 91 1HG GLU 91 6.956 -15.984 -2.280 690 2HG GLU 91 2HG GLU 91 8.304 -15.771 -1.161 691 H ALA 92 H ALA 92 9.848 -15.062 -2.999 692 HA ALA 92 HA ALA 92 11.666 -14.172 -0.875 693 1HB ALA 92 1HB ALA 92 11.459 -16.575 -1.568 694 2HB ALA 92 2HB ALA 92 12.170 -16.144 -3.123 695 3HB ALA 92 3HB ALA 92 13.114 -15.968 -1.644 696 H ARG 93 H ARG 93 11.205 -13.614 -4.287 697 HA ARG 93 HA ARG 93 13.843 -12.668 -4.908 698 1HB ARG 93 1HB ARG 93 11.863 -13.239 -6.499 699 2HB ARG 93 2HB ARG 93 11.345 -11.581 -6.197 700 1HG ARG 93 1HG ARG 93 13.793 -10.940 -6.784 701 2HG ARG 93 2HG ARG 93 13.880 -12.547 -7.506 702 1HD ARG 93 1HD ARG 93 13.178 -10.628 -9.062 703 2HD ARG 93 2HD ARG 93 12.147 -12.060 -9.059 704 HE ARG 93 HE ARG 93 11.485 -9.512 -7.642 705 1HH1 ARG 93 1HH1 ARG 93 10.595 -12.745 -7.993 706 2HH1 ARG 93 2HH1 ARG 93 8.928 -12.426 -8.340 707 1HH2 ARG 93 1HH2 ARG 93 9.356 -8.992 -8.559 708 2HH2 ARG 93 2HH2 ARG 93 8.226 -10.301 -8.656 709 H ALA 94 H ALA 94 11.369 -11.363 -2.958 710 HA ALA 94 HA ALA 94 12.254 -8.566 -3.324 711 1HB ALA 94 1HB ALA 94 9.813 -9.505 -2.816 712 2HB ALA 94 2HB ALA 94 10.377 -9.398 -1.148 713 3HB ALA 94 3HB ALA 94 10.345 -7.956 -2.162 714 H MET 95 H MET 95 12.544 -11.225 -1.045 715 HA MET 95 HA MET 95 13.539 -9.847 1.211 716 1HB MET 95 1HB MET 95 13.549 -12.589 0.205 717 2HB MET 95 2HB MET 95 15.016 -12.209 1.106 718 1HG MET 95 1HG MET 95 13.098 -11.059 2.689 719 2HG MET 95 2HG MET 95 12.237 -12.465 2.063 720 1HE MET 95 1HE MET 95 15.568 -11.231 3.059 721 2HE MET 95 2HE MET 95 15.030 -11.336 4.734 722 3HE MET 95 3HE MET 95 16.289 -12.422 4.150 723 H GLU 96 H GLU 96 15.247 -10.984 -1.695 724 HA GLU 96 HA GLU 96 17.829 -10.022 -0.704 725 1HB GLU 96 1HB GLU 96 17.128 -11.895 -2.554 726 2HB GLU 96 2HB GLU 96 17.494 -10.526 -3.604 727 1HG GLU 96 1HG GLU 96 19.464 -10.826 -1.472 728 2HG GLU 96 2HG GLU 96 19.359 -12.267 -2.484 729 H ALA 97 H ALA 97 15.128 -8.656 -2.322 730 HA ALA 97 HA ALA 97 16.443 -6.642 -3.876 731 1HB ALA 97 1HB ALA 97 13.733 -7.268 -3.035 732 2HB ALA 97 2HB ALA 97 14.031 -5.531 -2.971 733 3HB ALA 97 3HB ALA 97 14.282 -6.413 -4.477 734 H LYS 98 H LYS 98 15.727 -6.905 -0.458 735 HA LYS 98 HA LYS 98 15.894 -4.191 0.314 736 1HB LYS 98 1HB LYS 98 15.347 -6.180 1.796 737 2HB LYS 98 2HB LYS 98 17.079 -6.504 1.869 738 1HG LYS 98 1HG LYS 98 16.231 -3.713 2.442 739 2HG LYS 98 2HG LYS 98 15.821 -4.923 3.658 740 1HD LYS 98 1HD LYS 98 18.322 -5.680 3.325 741 2HD LYS 98 2HD LYS 98 18.526 -4.042 2.705 742 1HE LYS 98 1HE LYS 98 17.001 -3.720 5.026 743 2HE LYS 98 2HE LYS 98 18.202 -4.937 5.454 744 1HZ LYS 98 1HZ LYS 98 19.874 -3.389 4.401 745 2HZ LYS 98 2HZ LYS 98 18.658 -2.202 4.423 746 3HZ LYS 98 3HZ LYS 98 19.210 -2.884 5.879 747 H ARG 99 H ARG 99 18.562 -6.587 0.220 748 HA ARG 99 HA ARG 99 20.592 -4.576 0.654 749 1HB ARG 99 1HB ARG 99 20.808 -7.070 1.120 750 2HB ARG 99 2HB ARG 99 20.991 -7.293 -0.620 751 1HG ARG 99 1HG ARG 99 22.803 -5.362 -0.312 752 2HG ARG 99 2HG ARG 99 22.852 -6.003 1.332 753 1HD ARG 99 1HD ARG 99 24.038 -7.790 0.655 754 2HD ARG 99 2HD ARG 99 22.827 -8.177 -0.569 755 HE ARG 99 HE ARG 99 24.248 -6.062 -1.671 756 1HH1 ARG 99 1HH1 ARG 99 24.250 -9.138 -2.346 757 2HH1 ARG 99 2HH1 ARG 99 25.959 -9.400 -2.459 758 1HH2 ARG 99 1HH2 ARG 99 26.788 -6.391 -0.950 759 2HH2 ARG 99 2HH2 ARG 99 27.395 -7.847 -1.669 760 H LYS 100 H LYS 100 18.851 -5.659 -2.130 761 HA LYS 100 HA LYS 100 20.771 -5.056 -4.161 762 1HB LYS 100 1HB LYS 100 17.787 -5.291 -4.054 763 2HB LYS 100 2HB LYS 100 18.518 -4.549 -5.479 764 1HG LYS 100 1HG LYS 100 19.990 -6.922 -4.732 765 2HG LYS 100 2HG LYS 100 18.280 -7.307 -4.932 766 1HD LYS 100 1HD LYS 100 19.987 -5.821 -6.952 767 2HD LYS 100 2HD LYS 100 19.503 -7.512 -7.073 768 1HE LYS 100 1HE LYS 100 17.800 -5.044 -7.293 769 2HE LYS 100 2HE LYS 100 17.873 -6.440 -8.368 770 1HZ LYS 100 1HZ LYS 100 16.998 -7.741 -6.388 771 2HZ LYS 100 2HZ LYS 100 16.604 -6.236 -5.706 772 3HZ LYS 100 3HZ LYS 100 15.904 -6.709 -7.178 773 H ALA 101 H ALA 101 18.511 -3.028 -2.355 774 HA ALA 101 HA ALA 101 19.221 -0.667 -3.981 775 1HB ALA 101 1HB ALA 101 17.256 -1.246 -1.791 776 2HB ALA 101 2HB ALA 101 17.734 0.426 -2.085 777 3HB ALA 101 3HB ALA 101 16.980 -0.516 -3.372 778 H GLU 102 H GLU 102 20.187 -2.225 -1.049 779 HA GLU 102 HA GLU 102 21.257 0.062 0.325 780 1HB GLU 102 1HB GLU 102 20.939 -1.951 1.585 781 2HB GLU 102 2HB GLU 102 21.906 -2.891 0.447 782 1HG GLU 102 1HG GLU 102 23.924 -1.942 1.180 783 2HG GLU 102 2HG GLU 102 23.118 -0.544 1.890 784 H GLU 103 H GLU 103 22.281 -1.652 -2.466 785 HA GLU 103 HA GLU 103 25.120 -0.997 -2.193 786 1HB GLU 103 1HB GLU 103 23.984 -2.940 -3.553 787 2HB GLU 103 2HB GLU 103 23.815 -1.709 -4.806 788 1HG GLU 103 1HG GLU 103 26.087 -1.548 -5.152 789 2HG GLU 103 2HG GLU 103 26.477 -1.963 -3.481 790 H HIS 104 H HIS 104 22.273 0.432 -3.681 791 HA HIS 104 HA HIS 104 23.830 2.403 -5.190 792 1HB HIS 104 1HB HIS 104 21.104 1.503 -5.116 793 2HB HIS 104 2HB HIS 104 21.129 3.251 -4.883 794 HD1 HIS 104 HD1 HIS 104 20.563 4.127 -7.171 795 HD2 HIS 104 HD2 HIS 104 23.534 1.207 -7.310 796 HE1 HIS 104 HE1 HIS 104 21.382 4.052 -9.566 797 H ILE 105 H ILE 105 22.151 2.230 -2.095 798 HA ILE 105 HA ILE 105 22.551 5.109 -1.607 799 HB ILE 105 HB ILE 105 21.549 3.016 0.336 800 1HG1 ILE 105 1HG1 ILE 105 19.968 4.673 -1.658 801 2HG1 ILE 105 2HG1 ILE 105 20.236 2.933 -1.768 802 1HG2 ILE 105 1HG2 ILE 105 21.209 6.017 0.093 803 2HG2 ILE 105 2HG2 ILE 105 20.354 5.011 1.263 804 3HG2 ILE 105 3HG2 ILE 105 22.110 5.157 1.341 805 1HD1 ILE 105 1HD1 ILE 105 19.211 2.828 0.607 806 2HD1 ILE 105 2HD1 ILE 105 18.620 4.456 0.273 807 3HD1 ILE 105 3HD1 ILE 105 18.115 3.108 -0.745 808 H SER 106 H SER 106 24.807 3.047 -1.873 809 HA SER 106 HA SER 106 26.020 2.640 0.673 810 1HB SER 106 1HB SER 106 26.672 1.730 -1.705 811 2HB SER 106 2HB SER 106 27.664 3.184 -1.787 812 HG SER 106 HG SER 106 28.206 0.914 -0.562 813 H SER 107 H SER 107 25.771 5.460 -1.356 814 HA SER 107 HA SER 107 27.234 7.007 0.722 815 1HB SER 107 1HB SER 107 27.652 7.507 -2.232 816 2HB SER 107 2HB SER 107 28.551 8.190 -0.882 817 HG SER 107 HG SER 107 29.816 6.537 -1.096 818 H SER 108 H SER 108 26.772 9.418 0.424 819 HA SER 108 HA SER 108 24.478 10.174 -1.195 820 1HB SER 108 1HB SER 108 23.686 8.864 1.000 821 2HB SER 108 2HB SER 108 23.918 10.452 1.725 822 HG SER 108 HG SER 108 22.060 10.915 0.872 823 H HIS 109 H HIS 109 24.562 12.363 -1.521 824 HA HIS 109 HA HIS 109 25.687 14.146 0.524 825 1HB HIS 109 1HB HIS 109 27.573 13.086 -1.010 826 2HB HIS 109 2HB HIS 109 27.014 14.303 -2.157 827 HD1 HIS 109 HD1 HIS 109 28.291 16.423 -1.955 828 HD2 HIS 109 HD2 HIS 109 27.934 14.512 1.733 829 HE1 HIS 109 HE1 HIS 109 29.500 17.881 -0.273 830 H GLY 110 H GLY 110 25.844 16.479 -0.636 831 1HA GLY 110 1HA GLY 110 24.707 18.180 -1.800 832 2HA GLY 110 2HA GLY 110 23.995 16.929 -2.820 833 H ASP 111 H ASP 111 22.187 18.724 -2.312 834 HA ASP 111 HA ASP 111 20.771 18.029 0.210 835 1HB ASP 111 1HB ASP 111 20.404 20.241 -1.825 836 2HB ASP 111 2HB ASP 111 19.245 19.937 -0.528 837 H VAL 112 H VAL 112 19.070 16.649 0.159 838 HA VAL 112 HA VAL 112 17.616 15.044 -0.781 839 HB VAL 112 HB VAL 112 15.802 16.074 -2.051 840 1HG1 VAL 112 1HG1 VAL 112 17.000 17.625 0.234 841 2HG1 VAL 112 2HG1 VAL 112 15.506 18.174 -0.524 842 3HG1 VAL 112 3HG1 VAL 112 15.580 16.581 0.230 843 1HG2 VAL 112 1HG2 VAL 112 17.437 17.425 -3.497 844 2HG2 VAL 112 2HG2 VAL 112 15.957 18.252 -3.012 845 3HG2 VAL 112 3HG2 VAL 112 17.472 18.594 -2.176 846 H ASP 113 H ASP 113 20.239 15.379 -2.156 847 HA ASP 113 HA ASP 113 19.621 14.977 -5.007 848 1HB ASP 113 1HB ASP 113 21.683 16.140 -4.468 849 2HB ASP 113 2HB ASP 113 22.193 14.824 -3.407 850 H TYR 114 H TYR 114 21.998 12.963 -3.421 851 HA TYR 114 HA TYR 114 20.735 10.552 -4.469 852 1HB TYR 114 1HB TYR 114 23.312 11.211 -3.789 853 2HB TYR 114 2HB TYR 114 22.820 10.250 -2.396 854 HD1 TYR 114 HD1 TYR 114 21.769 7.951 -2.818 855 HD2 TYR 114 HD2 TYR 114 23.850 10.176 -5.846 856 HE1 TYR 114 HE1 TYR 114 22.051 5.876 -4.149 857 HE2 TYR 114 HE2 TYR 114 24.132 8.102 -7.177 858 HH TYR 114 HH TYR 114 23.334 5.951 -7.414 859 H ALA 115 H ALA 115 20.413 12.468 -1.686 860 HA ALA 115 HA ALA 115 19.697 10.416 0.222 861 1HB ALA 115 1HB ALA 115 20.174 13.166 0.288 862 2HB ALA 115 2HB ALA 115 18.453 13.026 0.650 863 3HB ALA 115 3HB ALA 115 19.634 12.174 1.647 864 H GLN 116 H GLN 116 18.007 12.193 -2.278 865 HA GLN 116 HA GLN 116 15.339 11.547 -1.324 866 1HB GLN 116 1HB GLN 116 16.536 12.834 -3.716 867 2HB GLN 116 2HB GLN 116 14.972 12.056 -3.962 868 1HG GLN 116 1HG GLN 116 15.254 13.731 -1.519 869 2HG GLN 116 2HG GLN 116 15.197 14.585 -3.062 870 1HE2 GLN 116 2HE2 GLN 116 13.540 11.489 -2.532 871 2HE2 GLN 116 1HE2 GLN 116 11.966 12.119 -2.623 872 H ALA 117 H ALA 117 17.474 10.228 -3.864 873 HA ALA 117 HA ALA 117 15.637 8.170 -4.682 874 1HB ALA 117 1HB ALA 117 18.638 8.459 -4.948 875 2HB ALA 117 2HB ALA 117 17.743 7.105 -5.639 876 3HB ALA 117 3HB ALA 117 17.415 8.750 -6.186 877 H SER 118 H SER 118 17.845 8.475 -2.015 878 HA SER 118 HA SER 118 18.132 5.653 -1.455 879 1HB SER 118 1HB SER 118 19.254 6.322 0.480 880 2HB SER 118 2HB SER 118 19.492 7.722 -0.562 881 HG SER 118 HG SER 118 18.540 7.857 1.762 882 H ALA 119 H ALA 119 15.458 7.668 -1.320 883 HA ALA 119 HA ALA 119 14.247 6.459 1.073 884 1HB ALA 119 1HB ALA 119 13.766 8.817 0.463 885 2HB ALA 119 2HB ALA 119 13.031 8.263 -1.042 886 3HB ALA 119 3HB ALA 119 12.296 7.841 0.504 887 H GLU 120 H GLU 120 14.597 5.653 -2.208 888 HA GLU 120 HA GLU 120 12.066 4.279 -2.578 889 1HB GLU 120 1HB GLU 120 13.059 3.392 -4.596 890 2HB GLU 120 2HB GLU 120 13.565 5.076 -4.449 891 1HG GLU 120 1HG GLU 120 15.671 4.279 -4.708 892 2HG GLU 120 2HG GLU 120 15.524 3.745 -3.034 893 H LEU 121 H LEU 121 14.874 3.589 -0.788 894 HA LEU 121 HA LEU 121 14.889 0.711 -1.045 895 1HB LEU 121 1HB LEU 121 16.866 1.792 -0.195 896 2HB LEU 121 2HB LEU 121 15.951 2.580 1.090 897 HG LEU 121 HG LEU 121 15.435 -0.206 1.300 898 1HD1 LEU 121 1HD1 LEU 121 17.998 0.288 0.142 899 2HD1 LEU 121 2HD1 LEU 121 18.253 -0.215 1.813 900 3HD1 LEU 121 3HD1 LEU 121 17.340 -1.246 0.712 901 1HD2 LEU 121 1HD2 LEU 121 16.250 2.023 2.889 902 2HD2 LEU 121 2HD2 LEU 121 15.616 0.473 3.441 903 3HD2 LEU 121 3HD2 LEU 121 17.353 0.691 3.233 904 H ALA 122 H ALA 122 13.804 2.767 1.689 905 HA ALA 122 HA ALA 122 12.403 0.639 3.004 906 1HB ALA 122 1HB ALA 122 12.940 3.386 3.488 907 2HB ALA 122 2HB ALA 122 11.191 3.182 3.579 908 3HB ALA 122 3HB ALA 122 12.246 2.212 4.605 909 H LYS 123 H LYS 123 11.683 2.334 0.161 910 HA LYS 123 HA LYS 123 8.774 2.257 0.423 911 1HB LYS 123 1HB LYS 123 9.678 3.970 -0.991 912 2HB LYS 123 2HB LYS 123 10.644 2.802 -1.895 913 1HG LYS 123 1HG LYS 123 7.790 2.144 -1.864 914 2HG LYS 123 2HG LYS 123 8.130 3.699 -2.623 915 1HD LYS 123 1HD LYS 123 9.966 1.493 -3.361 916 2HD LYS 123 2HD LYS 123 8.307 1.329 -3.939 917 1HE LYS 123 1HE LYS 123 8.568 2.988 -5.452 918 2HE LYS 123 2HE LYS 123 9.341 4.044 -4.270 919 1HZ LYS 123 1HZ LYS 123 11.203 2.129 -4.695 920 2HZ LYS 123 2HZ LYS 123 10.528 2.321 -6.239 921 3HZ LYS 123 3HZ LYS 123 11.188 3.661 -5.430 922 H ALA 124 H ALA 124 11.294 0.237 -1.019 923 HA ALA 124 HA ALA 124 9.338 -1.542 -2.287 924 1HB ALA 124 1HB ALA 124 12.140 -1.073 -2.501 925 2HB ALA 124 2HB ALA 124 11.921 -2.762 -2.044 926 3HB ALA 124 3HB ALA 124 11.140 -2.134 -3.495 927 H ILE 125 H ILE 125 10.711 -1.194 0.828 928 HA ILE 125 HA ILE 125 10.649 -3.988 1.602 929 HB ILE 125 HB ILE 125 10.489 -1.526 3.365 930 1HG1 ILE 125 1HG1 ILE 125 12.455 -1.427 1.895 931 2HG1 ILE 125 2HG1 ILE 125 12.956 -1.799 3.545 932 1HG2 ILE 125 1HG2 ILE 125 10.539 -4.392 3.860 933 2HG2 ILE 125 2HG2 ILE 125 11.917 -3.589 4.610 934 3HG2 ILE 125 3HG2 ILE 125 10.277 -3.070 4.996 935 1HD1 ILE 125 1HD1 ILE 125 12.500 -3.877 1.386 936 2HD1 ILE 125 2HD1 ILE 125 14.081 -3.245 1.845 937 3HD1 ILE 125 3HD1 ILE 125 13.130 -4.169 3.008 938 H ALA 126 H ALA 126 8.215 -1.765 0.920 939 HA ALA 126 HA ALA 126 6.285 -2.560 2.933 940 1HB ALA 126 1HB ALA 126 6.433 -0.572 0.993 941 2HB ALA 126 2HB ALA 126 5.147 -1.628 0.409 942 3HB ALA 126 3HB ALA 126 5.040 -0.913 2.018 943 H GLN 127 H GLN 127 7.098 -3.658 -0.328 944 HA GLN 127 HA GLN 127 4.818 -5.407 -0.614 945 1HB GLN 127 1HB GLN 127 7.528 -5.724 -1.932 946 2HB GLN 127 2HB GLN 127 5.974 -6.312 -2.522 947 1HG GLN 127 1HG GLN 127 5.233 -4.164 -3.102 948 2HG GLN 127 2HG GLN 127 6.388 -3.372 -2.029 949 1HE2 GLN 127 2HE2 GLN 127 7.564 -6.026 -3.987 950 2HE2 GLN 127 1HE2 GLN 127 8.426 -5.079 -5.100 951 H LEU 128 H LEU 128 7.859 -5.650 1.043 952 HA LEU 128 HA LEU 128 8.005 -8.528 1.174 953 1HB LEU 128 1HB LEU 128 9.570 -6.345 2.044 954 2HB LEU 128 2HB LEU 128 9.148 -7.249 3.500 955 HG LEU 128 HG LEU 128 9.937 -8.920 1.195 956 1HD1 LEU 128 1HD1 LEU 128 11.784 -6.895 2.447 957 2HD1 LEU 128 2HD1 LEU 128 12.411 -8.432 1.853 958 3HD1 LEU 128 3HD1 LEU 128 11.605 -7.322 0.746 959 1HD2 LEU 128 1HD2 LEU 128 9.476 -9.671 3.576 960 2HD2 LEU 128 2HD2 LEU 128 11.034 -10.186 2.930 961 3HD2 LEU 128 3HD2 LEU 128 10.950 -8.827 4.051 962 H ARG 129 H ARG 129 6.082 -6.168 2.831 963 HA ARG 129 HA ARG 129 5.524 -7.929 5.118 964 1HB ARG 129 1HB ARG 129 4.261 -5.307 4.258 965 2HB ARG 129 2HB ARG 129 3.930 -6.142 5.777 966 1HG ARG 129 1HG ARG 129 6.758 -5.454 5.002 967 2HG ARG 129 2HG ARG 129 5.723 -4.249 5.770 968 1HD ARG 129 1HD ARG 129 5.967 -5.219 7.789 969 2HD ARG 129 2HD ARG 129 5.535 -6.802 7.141 970 HE ARG 129 HE ARG 129 8.195 -6.218 6.325 971 1HH1 ARG 129 1HH1 ARG 129 6.538 -6.295 9.320 972 2HH1 ARG 129 2HH1 ARG 129 7.745 -7.239 10.128 973 1HH2 ARG 129 1HH2 ARG 129 9.681 -7.682 7.286 974 2HH2 ARG 129 2HH2 ARG 129 9.527 -8.021 8.978 975 H VAL 130 H VAL 130 3.846 -6.829 2.179 976 HA VAL 130 HA VAL 130 1.378 -8.187 2.766 977 HB VAL 130 HB VAL 130 0.841 -7.814 0.407 978 1HG1 VAL 130 1HG1 VAL 130 1.104 -5.891 2.199 979 2HG1 VAL 130 2HG1 VAL 130 2.441 -5.392 1.164 980 3HG1 VAL 130 3HG1 VAL 130 0.807 -5.487 0.509 981 1HG2 VAL 130 1HG2 VAL 130 3.059 -8.492 -0.487 982 2HG2 VAL 130 2HG2 VAL 130 2.540 -6.935 -1.134 983 3HG2 VAL 130 3HG2 VAL 130 3.753 -6.999 0.146 984 H ILE 131 H ILE 131 4.447 -9.302 1.732 985 HA ILE 131 HA ILE 131 3.352 -11.767 0.519 986 HB ILE 131 HB ILE 131 5.789 -12.344 0.220 987 1HG1 ILE 131 1HG1 ILE 131 6.460 -9.518 0.915 988 2HG1 ILE 131 2HG1 ILE 131 6.285 -10.664 2.240 989 1HG2 ILE 131 1HG2 ILE 131 4.430 -11.117 -1.493 990 2HG2 ILE 131 2HG2 ILE 131 5.011 -9.600 -0.806 991 3HG2 ILE 131 3HG2 ILE 131 6.147 -10.722 -1.553 992 1HD1 ILE 131 1HD1 ILE 131 7.889 -11.579 -0.089 993 2HD1 ILE 131 2HD1 ILE 131 8.609 -10.320 0.913 994 3HD1 ILE 131 3HD1 ILE 131 8.144 -11.861 1.634 995 H GLU 132 H GLU 132 4.909 -10.689 3.489 996 HA GLU 132 HA GLU 132 5.306 -13.408 4.487 997 1HB GLU 132 1HB GLU 132 5.324 -10.835 6.085 998 2HB GLU 132 2HB GLU 132 6.118 -12.358 6.489 999 1HG GLU 132 1HG GLU 132 6.893 -11.335 3.854 1000 2HG GLU 132 2HG GLU 132 7.306 -10.233 5.168 1001 H LEU 133 H LEU 133 2.843 -10.909 4.745 1002 HA LEU 133 HA LEU 133 1.421 -12.268 6.909 1003 1HB LEU 133 1HB LEU 133 0.907 -9.875 5.172 1004 2HB LEU 133 2HB LEU 133 -0.431 -10.588 6.072 1005 HG LEU 133 HG LEU 133 0.698 -10.267 8.168 1006 1HD1 LEU 133 1HD1 LEU 133 3.064 -9.759 6.387 1007 2HD1 LEU 133 2HD1 LEU 133 3.019 -9.037 7.996 1008 3HD1 LEU 133 3HD1 LEU 133 2.946 -10.790 7.813 1009 1HD2 LEU 133 1HD2 LEU 133 0.755 -7.930 6.272 1010 2HD2 LEU 133 2HD2 LEU 133 -0.340 -8.236 7.620 1011 3HD2 LEU 133 3HD2 LEU 133 1.321 -7.730 7.930 1012 H THR 134 H THR 134 1.070 -11.978 3.383 1013 HA THR 134 HA THR 134 -1.409 -13.387 3.180 1014 HB THR 134 HB THR 134 -0.601 -13.862 0.808 1015 HG1 THR 134 HG1 THR 134 1.641 -13.812 1.426 1016 1HG2 THR 134 1HG2 THR 134 -0.829 -11.165 2.083 1017 2HG2 THR 134 2HG2 THR 134 -0.357 -11.253 0.385 1018 3HG2 THR 134 3HG2 THR 134 -1.892 -11.943 0.911 1019 H LYS 135 H LYS 135 1.940 -14.498 3.374 1020 HA LYS 135 HA LYS 135 1.304 -17.263 2.748 1021 1HB LYS 135 1HB LYS 135 3.582 -17.738 3.392 1022 2HB LYS 135 2HB LYS 135 3.592 -16.208 2.514 1023 1HG LYS 135 1HG LYS 135 4.548 -15.223 4.294 1024 2HG LYS 135 2HG LYS 135 3.101 -15.583 5.237 1025 1HD LYS 135 1HD LYS 135 4.346 -16.982 6.486 1026 2HD LYS 135 2HD LYS 135 4.501 -18.017 5.066 1027 1HE LYS 135 1HE LYS 135 6.735 -17.618 5.408 1028 2HE LYS 135 2HE LYS 135 6.373 -16.176 4.459 1029 1HZ LYS 135 1HZ LYS 135 5.706 -15.633 7.108 1030 2HZ LYS 135 2HZ LYS 135 7.248 -16.344 7.123 1031 3HZ LYS 135 3HZ LYS 135 6.960 -14.955 6.189 1032 H LYS 136 H LYS 136 0.942 -15.291 5.529 1033 HA LYS 136 HA LYS 136 0.523 -17.744 7.191 1034 1HB LYS 136 1HB LYS 136 2.214 -15.499 7.669 1035 2HB LYS 136 2HB LYS 136 0.891 -15.426 8.833 1036 1HG LYS 136 1HG LYS 136 1.430 -18.053 8.994 1037 2HG LYS 136 2HG LYS 136 3.028 -17.477 8.521 1038 1HD LYS 136 1HD LYS 136 2.373 -15.639 10.426 1039 2HD LYS 136 2HD LYS 136 1.554 -17.071 11.052 1040 1HE LYS 136 1HE LYS 136 3.628 -17.461 11.961 1041 2HE LYS 136 2HE LYS 136 3.905 -18.194 10.380 1042 1HZ LYS 136 1HZ LYS 136 4.339 -15.398 10.271 1043 2HZ LYS 136 2HZ LYS 136 5.285 -16.086 11.503 1044 3HZ LYS 136 3HZ LYS 136 5.414 -16.664 9.914 1045 H ALA 137 H ALA 137 -1.401 -16.256 5.462 1046 HA ALA 137 HA ALA 137 -3.340 -15.527 7.620 1047 1HB ALA 137 1HB ALA 137 -2.922 -14.176 4.939 1048 2HB ALA 137 2HB ALA 137 -4.326 -13.892 5.968 1049 3HB ALA 137 3HB ALA 137 -2.714 -13.458 6.537 1050 H MET 138 H MET 138 -3.702 -15.774 4.084 1051 HA MET 138 HA MET 138 -5.146 -17.110 2.808 1052 1HB MET 138 1HB MET 138 -3.627 -18.820 4.238 1053 2HB MET 138 2HB MET 138 -5.214 -19.237 4.888 1054 1HG MET 138 1HG MET 138 -5.619 -20.449 3.039 1055 2HG MET 138 2HG MET 138 -5.527 -18.970 2.082 1056 1HE MET 138 1HE MET 138 -3.995 -22.104 3.361 1057 2HE MET 138 2HE MET 138 -2.297 -22.105 2.867 1058 3HE MET 138 3HE MET 138 -2.834 -21.062 4.181 Start of MODEL 15 1 1H ALA 1 1H ALA 1 -21.754 -1.956 11.773 2 2H ALA 1 2H ALA 1 -23.035 -2.131 12.876 3 3H ALA 1 3H ALA 1 -23.357 -1.802 11.242 4 HA ALA 1 HA ALA 1 -23.650 0.186 12.567 5 1HB ALA 1 1HB ALA 1 -21.880 -0.638 14.259 6 2HB ALA 1 2HB ALA 1 -20.691 0.041 13.147 7 3HB ALA 1 3HB ALA 1 -21.902 1.086 13.890 8 H MET 2 H MET 2 -20.397 -0.334 11.148 9 HA MET 2 HA MET 2 -21.215 1.315 8.825 10 1HB MET 2 1HB MET 2 -18.705 1.948 10.399 11 2HB MET 2 2HB MET 2 -19.386 2.861 9.051 12 1HG MET 2 1HG MET 2 -21.444 3.246 10.458 13 2HG MET 2 2HG MET 2 -20.579 2.520 11.814 14 1HE MET 2 1HE MET 2 -18.069 2.978 11.860 15 2HE MET 2 2HE MET 2 -17.374 4.594 11.940 16 3HE MET 2 3HE MET 2 -18.474 4.036 13.209 17 H THR 3 H THR 3 -20.757 -0.118 7.207 18 HA THR 3 HA THR 3 -18.205 -1.669 7.384 19 HB THR 3 HB THR 3 -20.059 -2.337 5.197 20 HG1 THR 3 HG1 THR 3 -21.334 -3.473 7.003 21 1HG2 THR 3 1HG2 THR 3 -18.233 -3.604 7.102 22 2HG2 THR 3 2HG2 THR 3 -19.709 -4.534 6.843 23 3HG2 THR 3 3HG2 THR 3 -18.683 -4.108 5.473 24 H TYR 4 H TYR 4 -18.364 -2.160 4.430 25 HA TYR 4 HA TYR 4 -17.476 0.557 3.559 26 1HB TYR 4 1HB TYR 4 -16.032 -1.851 4.073 27 2HB TYR 4 2HB TYR 4 -15.786 -1.314 2.439 28 HD1 TYR 4 HD1 TYR 4 -15.568 -0.446 5.948 29 HD2 TYR 4 HD2 TYR 4 -14.568 0.603 1.938 30 HE1 TYR 4 HE1 TYR 4 -13.909 1.088 6.804 31 HE2 TYR 4 HE2 TYR 4 -12.877 2.177 2.723 32 HH TYR 4 HH TYR 4 -12.562 3.536 4.966 33 H HIS 5 H HIS 5 -16.384 0.158 1.441 34 HA HIS 5 HA HIS 5 -17.335 -1.580 -0.620 35 1HB HIS 5 1HB HIS 5 -19.358 -0.101 -0.508 36 2HB HIS 5 2HB HIS 5 -18.323 1.322 -0.623 37 HD1 HIS 5 HD1 HIS 5 -16.503 0.865 -2.888 38 HD2 HIS 5 HD2 HIS 5 -20.416 -0.552 -2.993 39 HE1 HIS 5 HE1 HIS 5 -17.042 0.470 -5.314 40 H LEU 6 H LEU 6 -15.021 -1.685 -0.918 41 HA LEU 6 HA LEU 6 -13.497 0.805 -1.005 42 1HB LEU 6 1HB LEU 6 -12.957 -1.959 -0.491 43 2HB LEU 6 2HB LEU 6 -11.951 -1.453 -1.839 44 HG LEU 6 HG LEU 6 -10.678 -0.934 0.104 45 1HD1 LEU 6 1HD1 LEU 6 -11.243 0.916 -1.692 46 2HD1 LEU 6 2HD1 LEU 6 -12.023 1.696 -0.320 47 3HD1 LEU 6 3HD1 LEU 6 -10.297 1.325 -0.260 48 1HD2 LEU 6 1HD2 LEU 6 -13.303 -0.506 1.245 49 2HD2 LEU 6 2HD2 LEU 6 -11.770 -0.771 2.071 50 3HD2 LEU 6 3HD2 LEU 6 -12.247 0.859 1.599 51 H ASP 7 H ASP 7 -12.431 1.515 -2.998 52 HA ASP 7 HA ASP 7 -12.790 -0.085 -5.438 53 1HB ASP 7 1HB ASP 7 -14.765 1.785 -4.762 54 2HB ASP 7 2HB ASP 7 -13.767 2.608 -5.960 55 H VAL 8 H VAL 8 -10.371 0.207 -4.868 56 HA VAL 8 HA VAL 8 -9.353 2.838 -5.832 57 HB VAL 8 HB VAL 8 -8.325 2.267 -3.761 58 1HG1 VAL 8 1HG1 VAL 8 -8.035 -0.499 -4.962 59 2HG1 VAL 8 2HG1 VAL 8 -7.225 -0.001 -3.476 60 3HG1 VAL 8 3HG1 VAL 8 -8.987 -0.037 -3.551 61 1HG2 VAL 8 1HG2 VAL 8 -6.777 2.910 -5.689 62 2HG2 VAL 8 2HG2 VAL 8 -6.009 2.067 -4.343 63 3HG2 VAL 8 3HG2 VAL 8 -6.388 1.195 -5.827 64 H VAL 9 H VAL 9 -9.023 2.837 -8.012 65 HA VAL 9 HA VAL 9 -8.164 0.289 -9.302 66 HB VAL 9 HB VAL 9 -9.004 1.180 -11.357 67 1HG1 VAL 9 1HG1 VAL 9 -10.681 1.555 -8.918 68 2HG1 VAL 9 2HG1 VAL 9 -11.307 2.204 -10.434 69 3HG1 VAL 9 3HG1 VAL 9 -10.928 0.486 -10.300 70 1HG2 VAL 9 1HG2 VAL 9 -8.025 3.467 -11.008 71 2HG2 VAL 9 2HG2 VAL 9 -9.678 3.505 -11.625 72 3HG2 VAL 9 3HG2 VAL 9 -9.365 3.830 -9.920 73 H SER 10 H SER 10 -6.267 0.221 -10.542 74 HA SER 10 HA SER 10 -4.437 2.552 -10.166 75 1HB SER 10 1HB SER 10 -3.796 -0.352 -10.761 76 2HB SER 10 2HB SER 10 -2.609 0.930 -10.536 77 HG SER 10 HG SER 10 -3.970 1.197 -8.454 78 H ALA 11 H ALA 11 -6.172 2.996 -12.177 79 HA ALA 11 HA ALA 11 -6.141 3.640 -14.442 80 1HB ALA 11 1HB ALA 11 -3.628 3.939 -13.934 81 2HB ALA 11 2HB ALA 11 -3.417 2.351 -14.672 82 3HB ALA 11 3HB ALA 11 -4.079 3.682 -15.619 83 H GLU 12 H GLU 12 -7.796 1.878 -14.522 84 HA GLU 12 HA GLU 12 -8.710 0.028 -15.637 85 1HB GLU 12 1HB GLU 12 -6.639 1.000 -17.308 86 2HB GLU 12 2HB GLU 12 -6.464 -0.755 -17.264 87 1HG GLU 12 1HG GLU 12 -8.611 -1.123 -18.127 88 2HG GLU 12 2HG GLU 12 -9.180 0.475 -17.646 89 H GLN 13 H GLN 13 -7.102 -0.264 -13.179 90 HA GLN 13 HA GLN 13 -6.100 -3.053 -13.593 91 1HB GLN 13 1HB GLN 13 -4.499 -1.202 -12.738 92 2HB GLN 13 2HB GLN 13 -5.402 -1.317 -11.227 93 1HG GLN 13 1HG GLN 13 -3.912 -2.968 -10.735 94 2HG GLN 13 2HG GLN 13 -4.952 -3.957 -11.760 95 1HE2 GLN 13 2HE2 GLN 13 -1.798 -3.573 -11.297 96 2HE2 GLN 13 1HE2 GLN 13 -1.209 -3.648 -12.887 97 H GLN 14 H GLN 14 -8.236 -0.968 -11.762 98 HA GLN 14 HA GLN 14 -9.804 -1.467 -10.075 99 1HB GLN 14 1HB GLN 14 -9.985 -4.083 -11.592 100 2HB GLN 14 2HB GLN 14 -11.251 -3.321 -10.629 101 1HG GLN 14 1HG GLN 14 -10.924 -1.301 -12.256 102 2HG GLN 14 2HG GLN 14 -10.166 -2.494 -13.310 103 1HE2 GLN 14 2HE2 GLN 14 -13.230 -1.466 -11.906 104 2HE2 GLN 14 1HE2 GLN 14 -14.205 -2.545 -12.782 105 H MET 15 H MET 15 -8.327 -1.632 -8.288 106 HA MET 15 HA MET 15 -7.137 -4.256 -7.688 107 1HB MET 15 1HB MET 15 -6.893 -1.498 -6.634 108 2HB MET 15 2HB MET 15 -6.700 -2.785 -5.444 109 1HG MET 15 1HG MET 15 -5.198 -2.599 -8.072 110 2HG MET 15 2HG MET 15 -4.537 -2.178 -6.493 111 1HE MET 15 1HE MET 15 -2.753 -3.328 -6.835 112 2HE MET 15 2HE MET 15 -2.809 -4.389 -5.428 113 3HE MET 15 3HE MET 15 -2.494 -5.059 -7.035 114 H PHE 16 H PHE 16 -8.753 -2.194 -5.283 115 HA PHE 16 HA PHE 16 -10.277 -4.614 -4.453 116 1HB PHE 16 1HB PHE 16 -8.899 -3.422 -2.722 117 2HB PHE 16 2HB PHE 16 -9.939 -2.013 -2.930 118 HD1 PHE 16 HD1 PHE 16 -11.892 -4.865 -3.556 119 HD2 PHE 16 HD2 PHE 16 -10.176 -2.653 -0.286 120 HE1 PHE 16 HE1 PHE 16 -13.513 -5.891 -2.002 121 HE2 PHE 16 HE2 PHE 16 -11.803 -3.671 1.238 122 HZ PHE 16 HZ PHE 16 -13.461 -5.303 0.399 123 H SER 17 H SER 17 -12.296 -4.709 -5.340 124 HA SER 17 HA SER 17 -13.864 -2.188 -5.297 125 1HB SER 17 1HB SER 17 -14.948 -2.828 -7.402 126 2HB SER 17 2HB SER 17 -13.204 -2.728 -7.627 127 HG SER 17 HG SER 17 -13.122 -4.991 -7.366 128 H GLY 18 H GLY 18 -14.785 -2.923 -3.270 129 1HA GLY 18 1HA GLY 18 -17.256 -4.208 -3.428 130 2HA GLY 18 2HA GLY 18 -16.104 -5.495 -3.083 131 H LEU 19 H LEU 19 -18.271 -4.356 -1.415 132 HA LEU 19 HA LEU 19 -17.717 -2.705 0.660 133 1HB LEU 19 1HB LEU 19 -19.113 -4.018 2.085 134 2HB LEU 19 2HB LEU 19 -19.721 -4.232 0.443 135 HG LEU 19 HG LEU 19 -17.992 -6.142 2.034 136 1HD1 LEU 19 1HD1 LEU 19 -20.786 -5.885 1.613 137 2HD1 LEU 19 2HD1 LEU 19 -20.259 -7.268 0.655 138 3HD1 LEU 19 3HD1 LEU 19 -19.937 -7.221 2.389 139 1HD2 LEU 19 1HD2 LEU 19 -18.678 -6.077 -0.913 140 2HD2 LEU 19 2HD2 LEU 19 -17.074 -6.092 -0.190 141 3HD2 LEU 19 3HD2 LEU 19 -18.096 -7.529 -0.093 142 H VAL 20 H VAL 20 -16.900 -3.003 2.848 143 HA VAL 20 HA VAL 20 -14.939 -5.139 3.338 144 HB VAL 20 HB VAL 20 -12.979 -4.053 2.921 145 1HG1 VAL 20 1HG1 VAL 20 -14.211 -3.648 0.853 146 2HG1 VAL 20 2HG1 VAL 20 -14.808 -2.132 1.476 147 3HG1 VAL 20 3HG1 VAL 20 -13.097 -2.339 1.185 148 1HG2 VAL 20 1HG2 VAL 20 -14.198 -1.895 4.493 149 2HG2 VAL 20 2HG2 VAL 20 -12.498 -2.361 4.342 150 3HG2 VAL 20 3HG2 VAL 20 -13.217 -1.266 3.157 151 H GLU 21 H GLU 21 -13.468 -3.786 5.388 152 HA GLU 21 HA GLU 21 -15.335 -2.430 7.161 153 1HB GLU 21 1HB GLU 21 -15.638 -5.115 7.257 154 2HB GLU 21 2HB GLU 21 -14.298 -4.944 8.391 155 1HG GLU 21 1HG GLU 21 -15.808 -2.970 9.338 156 2HG GLU 21 2HG GLU 21 -17.100 -3.915 8.596 157 H LYS 22 H LYS 22 -12.175 -3.952 6.652 158 HA LYS 22 HA LYS 22 -11.053 -1.781 8.348 159 1HB LYS 22 1HB LYS 22 -10.462 -4.735 8.639 160 2HB LYS 22 2HB LYS 22 -9.432 -3.473 9.314 161 1HG LYS 22 1HG LYS 22 -12.223 -3.000 9.967 162 2HG LYS 22 2HG LYS 22 -11.702 -4.593 10.518 163 1HD LYS 22 1HD LYS 22 -9.944 -2.206 11.007 164 2HD LYS 22 2HD LYS 22 -11.318 -2.511 12.071 165 1HE LYS 22 1HE LYS 22 -10.474 -4.792 12.507 166 2HE LYS 22 2HE LYS 22 -9.099 -4.482 11.448 167 1HZ LYS 22 1HZ LYS 22 -9.553 -2.524 13.542 168 2HZ LYS 22 2HZ LYS 22 -9.054 -4.059 14.070 169 3HZ LYS 22 3HZ LYS 22 -8.098 -3.190 12.972 170 H ILE 23 H ILE 23 -10.389 -0.855 6.268 171 HA ILE 23 HA ILE 23 -8.302 -2.438 4.829 172 HB ILE 23 HB ILE 23 -9.612 -1.592 3.125 173 1HG1 ILE 23 1HG1 ILE 23 -7.707 0.675 3.763 174 2HG1 ILE 23 2HG1 ILE 23 -7.461 -0.643 2.624 175 1HG2 ILE 23 1HG2 ILE 23 -11.187 -0.470 4.685 176 2HG2 ILE 23 2HG2 ILE 23 -10.106 0.921 4.715 177 3HG2 ILE 23 3HG2 ILE 23 -10.898 0.458 3.215 178 1HD1 ILE 23 1HD1 ILE 23 -9.507 0.223 1.376 179 2HD1 ILE 23 2HD1 ILE 23 -9.406 1.658 2.397 180 3HD1 ILE 23 3HD1 ILE 23 -8.077 1.254 1.310 181 H GLN 24 H GLN 24 -6.137 -1.638 4.796 182 HA GLN 24 HA GLN 24 -5.660 0.777 6.498 183 1HB GLN 24 1HB GLN 24 -4.968 -1.863 7.121 184 2HB GLN 24 2HB GLN 24 -3.466 -1.124 6.564 185 1HG GLN 24 1HG GLN 24 -3.562 -0.666 8.902 186 2HG GLN 24 2HG GLN 24 -4.033 0.838 8.109 187 1HE2 GLN 24 2HE2 GLN 24 -5.357 -2.016 9.811 188 2HE2 GLN 24 1HE2 GLN 24 -6.830 -1.283 10.227 189 H VAL 25 H VAL 25 -4.011 2.159 5.814 190 HA VAL 25 HA VAL 25 -2.544 1.374 3.336 191 HB VAL 25 HB VAL 25 -3.306 4.230 3.554 192 1HG1 VAL 25 1HG1 VAL 25 -2.359 2.408 1.614 193 2HG1 VAL 25 2HG1 VAL 25 -3.979 2.870 1.096 194 3HG1 VAL 25 3HG1 VAL 25 -2.756 4.110 1.375 195 1HG2 VAL 25 1HG2 VAL 25 -5.327 2.014 3.196 196 2HG2 VAL 25 2HG2 VAL 25 -5.451 3.465 4.192 197 3HG2 VAL 25 3HG2 VAL 25 -5.567 3.588 2.437 198 H THR 26 H THR 26 -0.413 1.465 3.843 199 HA THR 26 HA THR 26 0.486 3.651 5.681 200 HB THR 26 HB THR 26 1.431 0.782 5.474 201 HG1 THR 26 HG1 THR 26 1.020 1.002 7.782 202 1HG2 THR 26 1HG2 THR 26 2.704 3.117 6.928 203 2HG2 THR 26 2HG2 THR 26 3.177 1.429 7.119 204 3HG2 THR 26 3HG2 THR 26 3.399 2.237 5.566 205 H GLY 27 H GLY 27 1.906 5.029 4.734 206 1HA GLY 27 1HA GLY 27 4.148 4.346 3.198 207 2HA GLY 27 2HA GLY 27 2.844 4.604 2.038 208 H SER 28 H SER 28 1.472 6.681 3.431 209 HA SER 28 HA SER 28 3.292 8.915 2.809 210 1HB SER 28 1HB SER 28 0.642 8.588 2.357 211 2HB SER 28 2HB SER 28 0.577 9.449 3.891 212 HG SER 28 HG SER 28 1.344 11.184 2.949 213 H GLU 29 H GLU 29 3.527 10.729 4.347 214 HA GLU 29 HA GLU 29 4.518 10.020 6.853 215 1HB GLU 29 1HB GLU 29 4.770 12.263 5.753 216 2HB GLU 29 2HB GLU 29 3.112 12.631 6.228 217 1HG GLU 29 1HG GLU 29 3.911 11.983 8.627 218 2HG GLU 29 2HG GLU 29 5.531 12.241 7.977 219 H GLY 30 H GLY 30 1.206 11.010 6.042 220 1HA GLY 30 1HA GLY 30 0.109 11.079 8.632 221 2HA GLY 30 2HA GLY 30 -0.805 10.619 7.195 222 H GLU 31 H GLU 31 0.295 8.258 6.425 223 HA GLU 31 HA GLU 31 0.373 5.965 6.939 224 1HB GLU 31 1HB GLU 31 1.799 7.243 8.995 225 2HB GLU 31 2HB GLU 31 0.678 6.160 9.821 226 1HG GLU 31 1HG GLU 31 1.493 4.474 7.913 227 2HG GLU 31 2HG GLU 31 2.922 5.507 7.964 228 H LEU 32 H LEU 32 -2.072 7.794 7.389 229 HA LEU 32 HA LEU 32 -3.582 6.542 9.527 230 1HB LEU 32 1HB LEU 32 -4.137 8.503 7.360 231 2HB LEU 32 2HB LEU 32 -5.526 7.585 7.957 232 HG LEU 32 HG LEU 32 -3.902 8.445 10.184 233 1HD1 LEU 32 1HD1 LEU 32 -3.724 10.251 8.077 234 2HD1 LEU 32 2HD1 LEU 32 -5.041 10.891 9.060 235 3HD1 LEU 32 3HD1 LEU 32 -3.453 10.623 9.779 236 1HD2 LEU 32 1HD2 LEU 32 -6.336 7.827 10.165 237 2HD2 LEU 32 2HD2 LEU 32 -6.022 9.385 10.929 238 3HD2 LEU 32 3HD2 LEU 32 -6.666 9.322 9.290 239 H GLY 33 H GLY 33 -5.382 5.100 9.256 240 1HA GLY 33 1HA GLY 33 -5.045 3.288 6.920 241 2HA GLY 33 2HA GLY 33 -5.844 2.859 8.436 242 H ILE 34 H ILE 34 -7.268 2.337 6.159 243 HA ILE 34 HA ILE 34 -9.094 4.663 5.851 244 HB ILE 34 HB ILE 34 -8.642 2.189 4.171 245 1HG1 ILE 34 1HG1 ILE 34 -7.162 4.222 3.950 246 2HG1 ILE 34 2HG1 ILE 34 -8.059 3.832 2.479 247 1HG2 ILE 34 1HG2 ILE 34 -10.976 4.050 4.301 248 2HG2 ILE 34 2HG2 ILE 34 -10.417 3.544 2.710 249 3HG2 ILE 34 3HG2 ILE 34 -10.939 2.337 3.880 250 1HD1 ILE 34 1HD1 ILE 34 -9.848 5.454 3.257 251 2HD1 ILE 34 2HD1 ILE 34 -8.729 5.961 4.530 252 3HD1 ILE 34 3HD1 ILE 34 -8.304 6.201 2.833 253 H TYR 35 H TYR 35 -10.711 4.659 7.260 254 HA TYR 35 HA TYR 35 -12.028 2.062 7.944 255 1HB TYR 35 1HB TYR 35 -12.090 4.409 9.821 256 2HB TYR 35 2HB TYR 35 -12.154 2.685 10.184 257 HD1 TYR 35 HD1 TYR 35 -9.878 5.455 9.164 258 HD2 TYR 35 HD2 TYR 35 -10.193 1.391 10.531 259 HE1 TYR 35 HE1 TYR 35 -7.440 5.409 9.600 260 HE2 TYR 35 HE2 TYR 35 -7.751 1.349 10.961 261 HH TYR 35 HH TYR 35 -5.890 2.584 11.093 262 HA PRO 36 HA PRO 36 -15.854 4.008 6.930 263 1HB PRO 36 1HB PRO 36 -17.470 3.937 9.157 264 2HB PRO 36 2HB PRO 36 -17.080 2.514 8.175 265 1HG PRO 36 1HG PRO 36 -16.064 3.269 10.869 266 2HG PRO 36 2HG PRO 36 -16.188 1.666 10.126 267 1HD PRO 36 1HD PRO 36 -13.838 3.225 10.375 268 2HD PRO 36 2HD PRO 36 -14.015 1.754 9.394 269 H GLY 37 H GLY 37 -13.826 5.622 8.915 270 1HA GLY 37 1HA GLY 37 -15.417 8.119 8.702 271 2HA GLY 37 2HA GLY 37 -14.716 7.700 10.267 272 H HIS 38 H HIS 38 -12.921 6.688 7.516 273 HA HIS 38 HA HIS 38 -10.519 7.889 8.177 274 1HB HIS 38 1HB HIS 38 -10.537 6.302 6.391 275 2HB HIS 38 2HB HIS 38 -11.677 7.263 5.451 276 HD1 HIS 38 HD1 HIS 38 -8.393 8.249 7.139 277 HD2 HIS 38 HD2 HIS 38 -10.183 8.301 3.374 278 HE1 HIS 38 HE1 HIS 38 -6.767 9.417 5.589 279 H ALA 39 H ALA 39 -9.501 9.876 7.700 280 HA ALA 39 HA ALA 39 -11.054 12.218 7.788 281 1HB ALA 39 1HB ALA 39 -8.225 11.651 6.947 282 2HB ALA 39 2HB ALA 39 -8.889 13.272 6.743 283 3HB ALA 39 3HB ALA 39 -8.810 12.548 8.349 284 HA PRO 40 HA PRO 40 -12.484 12.735 3.668 285 1HB PRO 40 1HB PRO 40 -12.908 15.451 3.743 286 2HB PRO 40 2HB PRO 40 -13.971 14.273 4.531 287 1HG PRO 40 1HG PRO 40 -11.970 16.113 5.759 288 2HG PRO 40 2HG PRO 40 -13.439 15.421 6.466 289 1HD PRO 40 1HD PRO 40 -10.799 14.523 6.933 290 2HD PRO 40 2HD PRO 40 -12.288 13.644 7.346 291 H LEU 41 H LEU 41 -10.191 12.240 2.881 292 HA LEU 41 HA LEU 41 -8.651 14.666 2.121 293 1HB LEU 41 1HB LEU 41 -8.010 11.843 2.626 294 2HB LEU 41 2HB LEU 41 -7.229 12.494 1.185 295 HG LEU 41 HG LEU 41 -5.805 12.870 3.142 296 1HD1 LEU 41 1HD1 LEU 41 -6.634 14.801 1.311 297 2HD1 LEU 41 2HD1 LEU 41 -6.722 15.628 2.867 298 3HD1 LEU 41 3HD1 LEU 41 -5.205 14.895 2.341 299 1HD2 LEU 41 1HD2 LEU 41 -8.292 14.224 4.219 300 2HD2 LEU 41 2HD2 LEU 41 -7.413 12.868 4.927 301 3HD2 LEU 41 3HD2 LEU 41 -6.688 14.476 4.911 302 H LEU 42 H LEU 42 -7.889 14.852 -0.124 303 HA LEU 42 HA LEU 42 -9.222 13.243 -2.179 304 1HB LEU 42 1HB LEU 42 -10.131 15.454 -3.232 305 2HB LEU 42 2HB LEU 42 -11.055 14.691 -1.940 306 HG LEU 42 HG LEU 42 -9.603 16.220 -0.369 307 1HD1 LEU 42 1HD1 LEU 42 -8.167 16.962 -2.329 308 2HD1 LEU 42 2HD1 LEU 42 -9.570 17.854 -2.919 309 3HD1 LEU 42 3HD1 LEU 42 -8.847 18.272 -1.365 310 1HD2 LEU 42 1HD2 LEU 42 -12.142 16.428 -1.565 311 2HD2 LEU 42 2HD2 LEU 42 -11.580 17.278 -0.124 312 3HD2 LEU 42 3HD2 LEU 42 -11.426 18.033 -1.711 313 H THR 43 H THR 43 -6.478 13.929 -1.372 314 HA THR 43 HA THR 43 -5.600 15.409 -3.819 315 HB THR 43 HB THR 43 -3.600 16.043 -2.594 316 HG1 THR 43 HG1 THR 43 -3.185 15.255 -0.589 317 1HG2 THR 43 1HG2 THR 43 -6.141 16.939 -2.015 318 2HG2 THR 43 2HG2 THR 43 -5.498 16.568 -0.416 319 3HG2 THR 43 3HG2 THR 43 -4.649 17.703 -1.465 320 H ALA 44 H ALA 44 -2.802 14.424 -3.147 321 HA ALA 44 HA ALA 44 -3.121 11.772 -4.454 322 1HB ALA 44 1HB ALA 44 -1.422 13.908 -4.987 323 2HB ALA 44 2HB ALA 44 -0.386 12.763 -4.135 324 3HB ALA 44 3HB ALA 44 -1.232 12.265 -5.599 325 H ILE 45 H ILE 45 -1.550 10.048 -3.696 326 HA ILE 45 HA ILE 45 -0.993 10.322 -0.773 327 HB ILE 45 HB ILE 45 -2.040 7.826 -2.143 328 1HG1 ILE 45 1HG1 ILE 45 -3.392 10.027 -0.570 329 2HG1 ILE 45 2HG1 ILE 45 -3.864 9.346 -2.125 330 1HG2 ILE 45 1HG2 ILE 45 -0.547 7.938 0.095 331 2HG2 ILE 45 2HG2 ILE 45 -2.128 8.267 0.803 332 3HG2 ILE 45 3HG2 ILE 45 -1.860 6.778 -0.103 333 1HD1 ILE 45 1HD1 ILE 45 -3.880 7.765 0.462 334 2HD1 ILE 45 2HD1 ILE 45 -5.294 8.595 -0.185 335 3HD1 ILE 45 3HD1 ILE 45 -4.555 7.275 -1.092 336 H LYS 46 H LYS 46 0.861 9.167 -0.031 337 HA LYS 46 HA LYS 46 2.984 8.920 -1.973 338 1HB LYS 46 1HB LYS 46 2.690 8.772 0.931 339 2HB LYS 46 2HB LYS 46 3.843 7.587 0.314 340 1HG LYS 46 1HG LYS 46 4.904 9.787 0.847 341 2HG LYS 46 2HG LYS 46 5.085 9.330 -0.847 342 1HD LYS 46 1HD LYS 46 3.878 11.104 -1.557 343 2HD LYS 46 2HD LYS 46 2.620 10.824 -0.353 344 1HE LYS 46 1HE LYS 46 4.236 11.804 1.366 345 2HE LYS 46 2HE LYS 46 5.220 12.328 0.000 346 1HZ LYS 46 1HZ LYS 46 3.135 13.405 -0.869 347 2HZ LYS 46 2HZ LYS 46 2.445 13.123 0.655 348 3HZ LYS 46 3HZ LYS 46 3.814 14.119 0.516 349 HA PRO 47 HA PRO 47 2.736 4.666 -3.019 350 1HB PRO 47 1HB PRO 47 5.397 3.984 -3.124 351 2HB PRO 47 2HB PRO 47 4.600 4.994 -4.343 352 1HG PRO 47 1HG PRO 47 6.493 5.800 -2.188 353 2HG PRO 47 2HG PRO 47 6.164 6.583 -3.742 354 1HD PRO 47 1HD PRO 47 5.167 7.405 -1.217 355 2HD PRO 47 2HD PRO 47 4.609 7.981 -2.803 356 H GLY 48 H GLY 48 2.434 2.727 -1.908 357 1HA GLY 48 1HA GLY 48 4.185 1.743 0.132 358 2HA GLY 48 2HA GLY 48 2.811 2.546 0.892 359 H MET 49 H MET 49 2.311 0.339 1.710 360 HA MET 49 HA MET 49 0.937 -1.314 -0.375 361 1HB MET 49 1HB MET 49 1.259 -3.208 1.304 362 2HB MET 49 2HB MET 49 2.735 -2.609 0.548 363 1HG MET 49 1HG MET 49 3.255 -1.261 2.496 364 2HG MET 49 2HG MET 49 1.705 -1.659 3.236 365 1HE MET 49 1HE MET 49 0.922 -3.449 3.982 366 2HE MET 49 2HE MET 49 1.608 -5.070 4.155 367 3HE MET 49 3HE MET 49 1.971 -3.824 5.346 368 H ILE 50 H ILE 50 -0.570 -2.922 1.395 369 HA ILE 50 HA ILE 50 -1.945 -1.403 3.394 370 HB ILE 50 HB ILE 50 -3.102 -0.019 2.011 371 1HG1 ILE 50 1HG1 ILE 50 -4.761 -1.852 2.787 372 2HG1 ILE 50 2HG1 ILE 50 -5.271 -0.801 1.468 373 1HG2 ILE 50 1HG2 ILE 50 -2.176 -1.921 -0.070 374 2HG2 ILE 50 2HG2 ILE 50 -3.613 -0.973 -0.459 375 3HG2 ILE 50 3HG2 ILE 50 -2.104 -0.158 -0.036 376 1HD1 ILE 50 1HD1 ILE 50 -3.816 -3.046 0.392 377 2HD1 ILE 50 2HD1 ILE 50 -5.095 -3.630 1.449 378 3HD1 ILE 50 3HD1 ILE 50 -5.489 -2.573 0.096 379 H ARG 51 H ARG 51 -3.515 -2.646 4.458 380 HA ARG 51 HA ARG 51 -3.995 -5.393 3.378 381 1HB ARG 51 1HB ARG 51 -2.290 -5.000 5.420 382 2HB ARG 51 2HB ARG 51 -3.800 -5.003 6.332 383 1HG ARG 51 1HG ARG 51 -3.285 -7.156 4.300 384 2HG ARG 51 2HG ARG 51 -2.559 -7.274 5.903 385 1HD ARG 51 1HD ARG 51 -5.446 -6.572 5.813 386 2HD ARG 51 2HD ARG 51 -5.026 -8.222 5.351 387 HE ARG 51 HE ARG 51 -4.474 -8.648 7.606 388 1HH1 ARG 51 1HH1 ARG 51 -5.910 -5.663 7.446 389 2HH1 ARG 51 2HH1 ARG 51 -5.172 -5.015 8.874 390 1HH2 ARG 51 1HH2 ARG 51 -2.951 -7.652 9.242 391 2HH2 ARG 51 2HH2 ARG 51 -3.494 -6.139 9.888 392 H ILE 52 H ILE 52 -6.182 -5.809 3.286 393 HA ILE 52 HA ILE 52 -7.947 -4.166 5.055 394 HB ILE 52 HB ILE 52 -8.646 -5.154 2.306 395 1HG1 ILE 52 1HG1 ILE 52 -7.739 -2.387 3.098 396 2HG1 ILE 52 2HG1 ILE 52 -6.709 -3.567 2.308 397 1HG2 ILE 52 1HG2 ILE 52 -9.919 -3.286 4.292 398 2HG2 ILE 52 2HG2 ILE 52 -10.334 -3.233 2.579 399 3HG2 ILE 52 3HG2 ILE 52 -10.627 -4.701 3.512 400 1HD1 ILE 52 1HD1 ILE 52 -8.842 -3.648 0.649 401 2HD1 ILE 52 2HD1 ILE 52 -8.950 -1.975 1.197 402 3HD1 ILE 52 3HD1 ILE 52 -7.479 -2.553 0.410 403 H VAL 53 H VAL 53 -10.123 -5.148 5.385 404 HA VAL 53 HA VAL 53 -10.046 -8.126 5.344 405 HB VAL 53 HB VAL 53 -10.707 -6.292 7.655 406 1HG1 VAL 53 1HG1 VAL 53 -11.566 -9.126 7.114 407 2HG1 VAL 53 2HG1 VAL 53 -11.334 -8.557 8.767 408 3HG1 VAL 53 3HG1 VAL 53 -12.526 -7.779 7.724 409 1HG2 VAL 53 1HG2 VAL 53 -8.388 -7.580 6.974 410 2HG2 VAL 53 2HG2 VAL 53 -8.837 -7.163 8.628 411 3HG2 VAL 53 3HG2 VAL 53 -9.158 -8.783 8.009 412 H LYS 54 H LYS 54 -11.773 -8.801 4.194 413 HA LYS 54 HA LYS 54 -13.955 -7.040 3.489 414 1HB LYS 54 1HB LYS 54 -13.061 -9.740 2.827 415 2HB LYS 54 2HB LYS 54 -14.815 -9.642 2.981 416 1HG LYS 54 1HG LYS 54 -14.010 -7.321 1.574 417 2HG LYS 54 2HG LYS 54 -13.142 -8.673 0.845 418 1HD LYS 54 1HD LYS 54 -15.712 -9.674 1.254 419 2HD LYS 54 2HD LYS 54 -15.981 -8.016 0.712 420 1HE LYS 54 1HE LYS 54 -14.162 -9.988 -0.697 421 2HE LYS 54 2HE LYS 54 -15.826 -9.656 -1.177 422 1HZ LYS 54 1HZ LYS 54 -14.739 -7.187 -0.949 423 2HZ LYS 54 2HZ LYS 54 -13.453 -8.093 -1.593 424 3HZ LYS 54 3HZ LYS 54 -14.946 -8.036 -2.403 425 H GLN 55 H GLN 55 -15.830 -6.702 4.597 426 HA GLN 55 HA GLN 55 -17.401 -6.870 6.338 427 1HB GLN 55 1HB GLN 55 -18.222 -8.778 5.152 428 2HB GLN 55 2HB GLN 55 -16.858 -9.770 5.665 429 1HG GLN 55 1HG GLN 55 -17.692 -10.058 7.809 430 2HG GLN 55 2HG GLN 55 -18.602 -8.546 7.769 431 1HE2 GLN 55 2HE2 GLN 55 -20.817 -8.797 7.455 432 2HE2 GLN 55 1HE2 GLN 55 -21.553 -10.145 6.733 433 H HIS 56 H HIS 56 -15.849 -9.853 7.348 434 HA HIS 56 HA HIS 56 -14.075 -8.673 9.288 435 1HB HIS 56 1HB HIS 56 -16.591 -8.329 10.118 436 2HB HIS 56 2HB HIS 56 -16.380 -9.996 10.653 437 HD1 HIS 56 HD1 HIS 56 -16.626 -7.800 12.780 438 HD2 HIS 56 HD2 HIS 56 -12.974 -9.067 11.217 439 HE1 HIS 56 HE1 HIS 56 -14.863 -7.196 14.495 440 H GLY 57 H GLY 57 -13.318 -10.542 7.644 441 1HA GLY 57 1HA GLY 57 -12.710 -12.821 9.305 442 2HA GLY 57 2HA GLY 57 -13.898 -13.248 8.072 443 H HIS 58 H HIS 58 -13.243 -12.449 5.780 444 HA HIS 58 HA HIS 58 -10.605 -13.548 5.214 445 1HB HIS 58 1HB HIS 58 -12.569 -12.151 3.369 446 2HB HIS 58 2HB HIS 58 -11.177 -13.107 2.863 447 HD1 HIS 58 HD1 HIS 58 -11.442 -15.627 2.800 448 HD2 HIS 58 HD2 HIS 58 -14.654 -13.738 4.670 449 HE1 HIS 58 HE1 HIS 58 -13.202 -17.409 3.175 450 H GLU 59 H GLU 59 -9.302 -12.131 3.446 451 HA GLU 59 HA GLU 59 -9.289 -9.265 4.085 452 1HB GLU 59 1HB GLU 59 -6.767 -9.483 4.691 453 2HB GLU 59 2HB GLU 59 -7.962 -9.866 5.932 454 1HG GLU 59 1HG GLU 59 -7.358 -12.173 4.252 455 2HG GLU 59 2HG GLU 59 -5.918 -11.548 5.056 456 H GLU 60 H GLU 60 -7.927 -8.064 2.617 457 HA GLU 60 HA GLU 60 -6.921 -9.679 0.306 458 1HB GLU 60 1HB GLU 60 -9.041 -7.842 0.290 459 2HB GLU 60 2HB GLU 60 -7.678 -6.958 -0.397 460 1HG GLU 60 1HG GLU 60 -7.541 -9.519 -1.544 461 2HG GLU 60 2HG GLU 60 -9.251 -9.088 -1.579 462 H PHE 61 H PHE 61 -5.086 -8.683 -0.826 463 HA PHE 61 HA PHE 61 -3.609 -6.740 0.908 464 1HB PHE 61 1HB PHE 61 -2.759 -9.260 -0.427 465 2HB PHE 61 2HB PHE 61 -1.606 -7.924 -0.451 466 HD1 PHE 61 HD1 PHE 61 -4.044 -9.412 1.994 467 HD2 PHE 61 HD2 PHE 61 -0.088 -7.889 1.307 468 HE1 PHE 61 HE1 PHE 61 -3.457 -9.869 4.359 469 HE2 PHE 61 HE2 PHE 61 0.499 -8.345 3.672 470 HZ PHE 61 HZ PHE 61 -1.186 -9.335 5.199 471 H ILE 62 H ILE 62 -3.196 -4.830 -0.073 472 HA ILE 62 HA ILE 62 -3.046 -4.794 -3.058 473 HB ILE 62 HB ILE 62 -4.150 -2.464 -1.518 474 1HG1 ILE 62 1HG1 ILE 62 -5.443 -4.438 -0.776 475 2HG1 ILE 62 2HG1 ILE 62 -6.417 -3.397 -1.814 476 1HG2 ILE 62 1HG2 ILE 62 -3.831 -3.311 -4.285 477 2HG2 ILE 62 2HG2 ILE 62 -5.506 -2.890 -3.926 478 3HG2 ILE 62 3HG2 ILE 62 -4.221 -1.714 -3.645 479 1HD1 ILE 62 1HD1 ILE 62 -4.980 -5.268 -3.457 480 2HD1 ILE 62 2HD1 ILE 62 -5.828 -6.150 -2.187 481 3HD1 ILE 62 3HD1 ILE 62 -6.725 -5.084 -3.269 482 H TYR 63 H TYR 63 -2.116 -2.472 -3.689 483 HA TYR 63 HA TYR 63 -0.292 -1.202 -1.874 484 1HB TYR 63 1HB TYR 63 1.276 -2.874 -1.884 485 2HB TYR 63 2HB TYR 63 0.656 -3.581 -3.372 486 HD1 TYR 63 HD1 TYR 63 1.188 -2.426 -5.584 487 HD2 TYR 63 HD2 TYR 63 3.180 -1.454 -1.904 488 HE1 TYR 63 HE1 TYR 63 3.029 -1.368 -6.862 489 HE2 TYR 63 HE2 TYR 63 5.020 -0.395 -3.184 490 HH TYR 63 HH TYR 63 5.876 -0.017 -5.196 491 H LEU 64 H LEU 64 -0.055 0.812 -2.722 492 HA LEU 64 HA LEU 64 -0.380 1.112 -5.679 493 1HB LEU 64 1HB LEU 64 -0.801 3.321 -3.668 494 2HB LEU 64 2HB LEU 64 -1.421 3.203 -5.315 495 HG LEU 64 HG LEU 64 -2.382 0.910 -4.016 496 1HD1 LEU 64 1HD1 LEU 64 -2.166 3.258 -2.196 497 2HD1 LEU 64 2HD1 LEU 64 -3.697 2.381 -2.185 498 3HD1 LEU 64 3HD1 LEU 64 -2.193 1.537 -1.812 499 1HD2 LEU 64 1HD2 LEU 64 -3.328 3.058 -5.538 500 2HD2 LEU 64 2HD2 LEU 64 -4.266 1.660 -5.016 501 3HD2 LEU 64 3HD2 LEU 64 -4.267 3.135 -4.048 502 H SER 65 H SER 65 0.655 3.469 -6.244 503 HA SER 65 HA SER 65 3.240 3.826 -4.860 504 1HB SER 65 1HB SER 65 3.307 2.082 -6.873 505 2HB SER 65 2HB SER 65 3.365 3.555 -7.838 506 HG SER 65 HG SER 65 5.278 4.038 -7.009 507 H GLY 66 H GLY 66 0.620 5.282 -5.672 508 1HA GLY 66 1HA GLY 66 1.111 7.870 -5.583 509 2HA GLY 66 2HA GLY 66 1.816 7.557 -7.171 510 H GLY 67 H GLY 67 -0.458 9.267 -6.670 511 1HA GLY 67 1HA GLY 67 -2.154 9.040 -8.694 512 2HA GLY 67 2HA GLY 67 -2.753 7.699 -7.716 513 H ILE 68 H ILE 68 -4.747 9.190 -7.834 514 HA ILE 68 HA ILE 68 -4.600 11.223 -5.640 515 HB ILE 68 HB ILE 68 -5.192 12.041 -7.980 516 1HG1 ILE 68 1HG1 ILE 68 -7.586 12.884 -6.789 517 2HG1 ILE 68 2HG1 ILE 68 -6.513 12.533 -5.433 518 1HG2 ILE 68 1HG2 ILE 68 -6.742 9.835 -8.121 519 2HG2 ILE 68 2HG2 ILE 68 -7.946 10.997 -7.563 520 3HG2 ILE 68 3HG2 ILE 68 -7.068 11.289 -9.065 521 1HD1 ILE 68 1HD1 ILE 68 -4.787 13.839 -7.063 522 2HD1 ILE 68 2HD1 ILE 68 -6.295 14.627 -7.525 523 3HD1 ILE 68 3HD1 ILE 68 -5.764 14.657 -5.844 524 H LEU 69 H LEU 69 -5.569 10.502 -3.809 525 HA LEU 69 HA LEU 69 -7.648 8.389 -4.047 526 1HB LEU 69 1HB LEU 69 -5.973 7.677 -2.548 527 2HB LEU 69 2HB LEU 69 -5.803 9.282 -1.840 528 HG LEU 69 HG LEU 69 -8.458 7.924 -1.608 529 1HD1 LEU 69 1HD1 LEU 69 -6.288 6.449 -0.934 530 2HD1 LEU 69 2HD1 LEU 69 -6.502 7.372 0.554 531 3HD1 LEU 69 3HD1 LEU 69 -7.817 6.369 -0.058 532 1HD2 LEU 69 1HD2 LEU 69 -7.517 10.306 -0.767 533 2HD2 LEU 69 2HD2 LEU 69 -8.748 9.411 0.124 534 3HD2 LEU 69 3HD2 LEU 69 -7.058 9.320 0.622 535 H GLU 70 H GLU 70 -9.621 8.602 -2.866 536 HA GLU 70 HA GLU 70 -10.269 11.195 -1.631 537 1HB GLU 70 1HB GLU 70 -10.744 11.636 -3.996 538 2HB GLU 70 2HB GLU 70 -11.726 10.172 -4.090 539 1HG GLU 70 1HG GLU 70 -13.241 11.103 -2.354 540 2HG GLU 70 2HG GLU 70 -12.285 12.586 -2.341 541 H VAL 71 H VAL 71 -11.745 10.865 0.012 542 HA VAL 71 HA VAL 71 -12.821 8.103 0.267 543 HB VAL 71 HB VAL 71 -11.495 9.018 2.151 544 1HG1 VAL 71 1HG1 VAL 71 -12.910 11.364 1.576 545 2HG1 VAL 71 2HG1 VAL 71 -13.553 10.829 3.129 546 3HG1 VAL 71 3HG1 VAL 71 -11.822 11.106 2.940 547 1HG2 VAL 71 1HG2 VAL 71 -14.065 7.814 2.251 548 2HG2 VAL 71 2HG2 VAL 71 -12.796 7.738 3.474 549 3HG2 VAL 71 3HG2 VAL 71 -14.017 9.010 3.545 550 H GLN 72 H GLN 72 -15.015 7.697 0.374 551 HA GLN 72 HA GLN 72 -16.832 10.065 0.128 552 1HB GLN 72 1HB GLN 72 -17.664 7.442 -1.033 553 2HB GLN 72 2HB GLN 72 -17.992 9.078 -1.604 554 1HG GLN 72 1HG GLN 72 -15.252 8.905 -1.865 555 2HG GLN 72 2HG GLN 72 -15.781 7.277 -2.290 556 1HE2 GLN 72 2HE2 GLN 72 -16.653 10.712 -2.993 557 2HE2 GLN 72 1HE2 GLN 72 -17.076 10.423 -4.610 558 HA PRO 73 HA PRO 73 -19.187 8.306 3.386 559 1HB PRO 73 1HB PRO 73 -21.784 8.612 2.536 560 2HB PRO 73 2HB PRO 73 -20.762 9.955 3.077 561 1HG PRO 73 1HG PRO 73 -21.595 9.231 0.311 562 2HG PRO 73 2HG PRO 73 -21.118 10.807 0.963 563 1HD PRO 73 1HD PRO 73 -19.500 9.080 -0.601 564 2HD PRO 73 2HD PRO 73 -18.947 10.517 0.286 565 H GLY 74 H GLY 74 -18.818 6.074 3.524 566 1HA GLY 74 1HA GLY 74 -19.497 3.818 3.498 567 2HA GLY 74 2HA GLY 74 -20.943 4.309 2.618 568 H ASN 75 H ASN 75 -17.496 4.700 1.770 569 HA ASN 75 HA ASN 75 -17.046 2.656 0.002 570 1HB ASN 75 1HB ASN 75 -18.984 2.930 -1.302 571 2HB ASN 75 2HB ASN 75 -18.922 4.688 -1.194 572 1HD2 ASN 75 2HD2 ASN 75 -18.260 5.646 -3.113 573 2HD2 ASN 75 1HD2 ASN 75 -17.206 4.947 -4.245 574 H VAL 76 H VAL 76 -14.882 3.001 -0.162 575 HA VAL 76 HA VAL 76 -13.917 5.798 -0.541 576 HB VAL 76 HB VAL 76 -12.606 3.275 0.487 577 1HG1 VAL 76 1HG1 VAL 76 -11.062 4.395 -1.113 578 2HG1 VAL 76 2HG1 VAL 76 -11.240 5.896 -0.204 579 3HG1 VAL 76 3HG1 VAL 76 -10.480 4.495 0.548 580 1HG2 VAL 76 1HG2 VAL 76 -13.975 5.036 1.881 581 2HG2 VAL 76 2HG2 VAL 76 -12.434 4.445 2.506 582 3HG2 VAL 76 3HG2 VAL 76 -12.520 6.019 1.714 583 H THR 77 H THR 77 -12.533 6.289 -2.303 584 HA THR 77 HA THR 77 -11.945 4.126 -4.239 585 HB THR 77 HB THR 77 -13.637 6.558 -4.865 586 HG1 THR 77 HG1 THR 77 -15.091 5.087 -4.562 587 1HG2 THR 77 1HG2 THR 77 -11.906 4.852 -6.580 588 2HG2 THR 77 2HG2 THR 77 -13.505 5.249 -7.208 589 3HG2 THR 77 3HG2 THR 77 -12.378 6.538 -6.783 590 H VAL 78 H VAL 78 -10.035 4.493 -5.297 591 HA VAL 78 HA VAL 78 -8.939 7.224 -5.474 592 HB VAL 78 HB VAL 78 -8.006 6.706 -3.361 593 1HG1 VAL 78 1HG1 VAL 78 -8.632 4.124 -3.888 594 2HG1 VAL 78 2HG1 VAL 78 -6.887 4.063 -4.124 595 3HG1 VAL 78 3HG1 VAL 78 -7.549 4.602 -2.582 596 1HG2 VAL 78 1HG2 VAL 78 -6.308 7.440 -5.008 597 2HG2 VAL 78 2HG2 VAL 78 -5.610 6.348 -3.811 598 3HG2 VAL 78 3HG2 VAL 78 -5.995 5.755 -5.426 599 H LEU 79 H LEU 79 -7.504 7.420 -7.212 600 HA LEU 79 HA LEU 79 -7.247 4.977 -8.903 601 1HB LEU 79 1HB LEU 79 -6.964 7.902 -9.660 602 2HB LEU 79 2HB LEU 79 -6.920 6.535 -10.775 603 HG LEU 79 HG LEU 79 -9.262 6.015 -9.537 604 1HD1 LEU 79 1HD1 LEU 79 -8.586 8.623 -8.652 605 2HD1 LEU 79 2HD1 LEU 79 -9.886 8.811 -9.829 606 3HD1 LEU 79 3HD1 LEU 79 -10.115 7.774 -8.421 607 1HD2 LEU 79 1HD2 LEU 79 -8.831 7.959 -11.829 608 2HD2 LEU 79 2HD2 LEU 79 -8.929 6.203 -11.964 609 3HD2 LEU 79 3HD2 LEU 79 -10.348 7.131 -11.478 610 H ALA 80 H ALA 80 -5.191 4.687 -10.064 611 HA ALA 80 HA ALA 80 -2.840 6.197 -9.242 612 1HB ALA 80 1HB ALA 80 -3.526 3.593 -7.949 613 2HB ALA 80 2HB ALA 80 -1.837 3.873 -8.379 614 3HB ALA 80 3HB ALA 80 -2.665 4.982 -7.286 615 H ASP 81 H ASP 81 -0.816 4.588 -9.962 616 HA ASP 81 HA ASP 81 -1.598 3.602 -12.679 617 1HB ASP 81 1HB ASP 81 -0.173 5.684 -12.630 618 2HB ASP 81 2HB ASP 81 1.094 4.727 -11.861 619 H THR 82 H THR 82 0.536 3.091 -9.885 620 HA THR 82 HA THR 82 1.273 0.422 -10.961 621 HB THR 82 HB THR 82 2.310 1.564 -8.379 622 HG1 THR 82 HG1 THR 82 3.789 2.753 -9.509 623 1HG2 THR 82 1HG2 THR 82 2.802 -0.720 -9.932 624 2HG2 THR 82 2HG2 THR 82 4.191 0.333 -10.199 625 3HG2 THR 82 3HG2 THR 82 3.752 -0.148 -8.560 626 H ALA 83 H ALA 83 0.835 -1.483 -9.719 627 HA ALA 83 HA ALA 83 -0.639 -1.270 -7.201 628 1HB ALA 83 1HB ALA 83 -2.077 -1.330 -9.672 629 2HB ALA 83 2HB ALA 83 -2.326 -2.872 -8.854 630 3HB ALA 83 3HB ALA 83 -2.725 -1.364 -8.033 631 H ILE 84 H ILE 84 -0.527 -3.199 -6.050 632 HA ILE 84 HA ILE 84 0.539 -5.585 -7.490 633 HB ILE 84 HB ILE 84 1.573 -4.306 -4.951 634 1HG1 ILE 84 1HG1 ILE 84 2.990 -5.345 -7.425 635 2HG1 ILE 84 2HG1 ILE 84 2.528 -3.659 -7.187 636 1HG2 ILE 84 1HG2 ILE 84 1.615 -7.159 -5.832 637 2HG2 ILE 84 2HG2 ILE 84 3.077 -6.503 -5.098 638 3HG2 ILE 84 3HG2 ILE 84 1.558 -6.490 -4.202 639 1HD1 ILE 84 1HD1 ILE 84 4.342 -5.243 -5.343 640 2HD1 ILE 84 2HD1 ILE 84 4.889 -4.065 -6.537 641 3HD1 ILE 84 3HD1 ILE 84 3.912 -3.542 -5.165 642 H ARG 85 H ARG 85 -0.726 -7.342 -7.070 643 HA ARG 85 HA ARG 85 -2.741 -7.130 -4.915 644 1HB ARG 85 1HB ARG 85 -3.520 -7.856 -7.116 645 2HB ARG 85 2HB ARG 85 -2.361 -9.185 -7.113 646 1HG ARG 85 1HG ARG 85 -3.904 -10.457 -6.082 647 2HG ARG 85 2HG ARG 85 -3.776 -9.393 -4.681 648 1HD ARG 85 1HD ARG 85 -5.600 -8.067 -5.368 649 2HD ARG 85 2HD ARG 85 -5.514 -8.652 -7.029 650 HE ARG 85 HE ARG 85 -6.095 -10.796 -5.164 651 1HH1 ARG 85 1HH1 ARG 85 -7.173 -9.421 -7.930 652 2HH1 ARG 85 2HH1 ARG 85 -8.865 -9.488 -7.563 653 1HH2 ARG 85 1HH2 ARG 85 -8.376 -10.334 -4.234 654 2HH2 ARG 85 2HH2 ARG 85 -9.547 -10.009 -5.469 655 H GLY 86 H GLY 86 -1.484 -7.506 -3.039 656 1HA GLY 86 1HA GLY 86 -0.146 -8.746 -1.529 657 2HA GLY 86 2HA GLY 86 -1.313 -10.004 -1.937 658 H GLN 87 H GLN 87 -0.614 -11.751 -3.126 659 HA GLN 87 HA GLN 87 2.286 -11.846 -3.729 660 1HB GLN 87 1HB GLN 87 0.301 -13.747 -2.864 661 2HB GLN 87 2HB GLN 87 1.048 -14.316 -4.357 662 1HG GLN 87 1HG GLN 87 3.211 -13.356 -2.927 663 2HG GLN 87 2HG GLN 87 2.203 -14.075 -1.671 664 1HE2 GLN 87 2HE2 GLN 87 2.388 -16.310 -1.434 665 2HE2 GLN 87 1HE2 GLN 87 3.042 -17.358 -2.599 666 H ASP 88 H ASP 88 2.096 -10.438 -5.634 667 HA ASP 88 HA ASP 88 0.771 -11.757 -7.967 668 1HB ASP 88 1HB ASP 88 0.768 -9.076 -7.082 669 2HB ASP 88 2HB ASP 88 1.791 -9.104 -8.519 670 H LEU 89 H LEU 89 3.728 -9.910 -7.139 671 HA LEU 89 HA LEU 89 5.119 -11.150 -9.441 672 1HB LEU 89 1HB LEU 89 5.917 -9.018 -7.444 673 2HB LEU 89 2HB LEU 89 7.024 -9.663 -8.653 674 HG LEU 89 HG LEU 89 4.804 -9.084 -10.170 675 1HD1 LEU 89 1HD1 LEU 89 4.314 -7.787 -7.771 676 2HD1 LEU 89 2HD1 LEU 89 5.056 -6.527 -8.757 677 3HD1 LEU 89 3HD1 LEU 89 3.608 -7.354 -9.329 678 1HD2 LEU 89 1HD2 LEU 89 7.481 -8.033 -9.715 679 2HD2 LEU 89 2HD2 LEU 89 6.589 -8.189 -11.229 680 3HD2 LEU 89 3HD2 LEU 89 6.372 -6.758 -10.220 681 H ASP 90 H ASP 90 4.296 -12.784 -7.119 682 HA ASP 90 HA ASP 90 5.224 -14.492 -5.804 683 1HB ASP 90 1HB ASP 90 7.706 -13.787 -7.403 684 2HB ASP 90 2HB ASP 90 7.529 -15.219 -6.386 685 H GLU 91 H GLU 91 7.333 -14.813 -4.282 686 HA GLU 91 HA GLU 91 7.636 -12.206 -2.855 687 1HB GLU 91 1HB GLU 91 8.299 -14.822 -1.561 688 2HB GLU 91 2HB GLU 91 7.635 -13.354 -0.843 689 1HG GLU 91 1HG GLU 91 5.650 -14.048 -2.606 690 2HG GLU 91 2HG GLU 91 6.240 -15.630 -2.096 691 H ALA 92 H ALA 92 9.401 -15.035 -4.061 692 HA ALA 92 HA ALA 92 11.971 -13.972 -3.121 693 1HB ALA 92 1HB ALA 92 10.986 -16.488 -4.081 694 2HB ALA 92 2HB ALA 92 12.351 -16.000 -5.086 695 3HB ALA 92 3HB ALA 92 12.545 -16.135 -3.339 696 H ARG 93 H ARG 93 9.941 -13.474 -5.808 697 HA ARG 93 HA ARG 93 12.095 -12.863 -7.705 698 1HB ARG 93 1HB ARG 93 9.813 -13.701 -8.399 699 2HB ARG 93 2HB ARG 93 9.161 -12.140 -7.904 700 1HG ARG 93 1HG ARG 93 10.411 -10.973 -9.557 701 2HG ARG 93 2HG ARG 93 11.445 -12.367 -9.866 702 1HD ARG 93 1HD ARG 93 9.774 -12.111 -11.657 703 2HD ARG 93 2HD ARG 93 9.504 -13.606 -10.763 704 HE ARG 93 HE ARG 93 7.927 -11.565 -9.560 705 1HH1 ARG 93 1HH1 ARG 93 7.784 -14.215 -11.582 706 2HH1 ARG 93 2HH1 ARG 93 6.306 -13.771 -12.368 707 1HH2 ARG 93 1HH2 ARG 93 6.196 -10.606 -10.957 708 2HH2 ARG 93 2HH2 ARG 93 5.408 -11.727 -12.015 709 H ALA 94 H ALA 94 10.161 -11.164 -5.339 710 HA ALA 94 HA ALA 94 10.996 -8.523 -6.365 711 1HB ALA 94 1HB ALA 94 8.731 -8.803 -5.398 712 2HB ALA 94 2HB ALA 94 9.454 -9.271 -3.859 713 3HB ALA 94 3HB ALA 94 9.681 -7.636 -4.477 714 H MET 95 H MET 95 12.169 -10.943 -4.289 715 HA MET 95 HA MET 95 13.558 -9.295 -2.369 716 1HB MET 95 1HB MET 95 13.304 -12.113 -3.011 717 2HB MET 95 2HB MET 95 14.984 -11.698 -2.675 718 1HG MET 95 1HG MET 95 14.333 -10.670 -0.548 719 2HG MET 95 2HG MET 95 12.634 -11.001 -0.890 720 1HE MET 95 1HE MET 95 11.936 -12.034 0.784 721 2HE MET 95 2HE MET 95 12.141 -13.730 1.214 722 3HE MET 95 3HE MET 95 13.193 -12.500 1.928 723 H GLU 96 H GLU 96 14.152 -10.173 -5.662 724 HA GLU 96 HA GLU 96 17.018 -9.870 -5.665 725 1HB GLU 96 1HB GLU 96 14.868 -9.850 -7.761 726 2HB GLU 96 2HB GLU 96 16.498 -9.330 -8.189 727 1HG GLU 96 1HG GLU 96 16.785 -11.569 -8.577 728 2HG GLU 96 2HG GLU 96 17.094 -11.593 -6.840 729 H ALA 97 H ALA 97 14.410 -7.613 -5.516 730 HA ALA 97 HA ALA 97 16.060 -5.387 -6.536 731 1HB ALA 97 1HB ALA 97 13.587 -5.573 -7.012 732 2HB ALA 97 2HB ALA 97 13.299 -5.265 -5.299 733 3HB ALA 97 3HB ALA 97 14.077 -4.036 -6.298 734 H LYS 98 H LYS 98 14.317 -6.118 -3.489 735 HA LYS 98 HA LYS 98 15.347 -3.990 -1.966 736 1HB LYS 98 1HB LYS 98 13.625 -5.946 -1.405 737 2HB LYS 98 2HB LYS 98 15.051 -6.652 -0.645 738 1HG LYS 98 1HG LYS 98 14.607 -3.779 -0.082 739 2HG LYS 98 2HG LYS 98 13.411 -4.880 0.605 740 1HD LYS 98 1HD LYS 98 14.883 -5.720 2.109 741 2HD LYS 98 2HD LYS 98 16.177 -5.823 0.913 742 1HE LYS 98 1HE LYS 98 17.046 -3.814 1.509 743 2HE LYS 98 2HE LYS 98 15.454 -3.066 1.641 744 1HZ LYS 98 1HZ LYS 98 15.764 -4.978 3.683 745 2HZ LYS 98 2HZ LYS 98 17.101 -3.936 3.705 746 3HZ LYS 98 3HZ LYS 98 15.530 -3.301 3.825 747 H ARG 99 H ARG 99 16.800 -7.176 -2.608 748 HA ARG 99 HA ARG 99 19.018 -6.842 -0.820 749 1HB ARG 99 1HB ARG 99 18.117 -8.803 -2.673 750 2HB ARG 99 2HB ARG 99 19.784 -8.409 -3.097 751 1HG ARG 99 1HG ARG 99 19.896 -8.531 -0.345 752 2HG ARG 99 2HG ARG 99 18.741 -9.807 -0.732 753 1HD ARG 99 1HD ARG 99 20.292 -10.980 -2.060 754 2HD ARG 99 2HD ARG 99 21.336 -9.571 -2.245 755 HE ARG 99 HE ARG 99 21.291 -11.395 0.059 756 1HH1 ARG 99 1HH2 ARG 99 23.726 -10.212 -1.354 757 2HH1 ARG 99 2HH2 ARG 99 24.291 -9.091 -0.161 758 1HH2 ARG 99 1HH1 ARG 99 21.338 -9.139 1.661 759 2HH2 ARG 99 2HH1 ARG 99 22.936 -8.482 1.548 760 H LYS 100 H LYS 100 18.517 -5.910 -4.203 761 HA LYS 100 HA LYS 100 21.296 -4.991 -4.465 762 1HB LYS 100 1HB LYS 100 18.924 -5.237 -6.237 763 2HB LYS 100 2HB LYS 100 20.057 -3.943 -6.628 764 1HG LYS 100 1HG LYS 100 21.720 -6.092 -6.065 765 2HG LYS 100 2HG LYS 100 20.373 -6.836 -6.926 766 1HD LYS 100 1HD LYS 100 20.916 -5.833 -8.889 767 2HD LYS 100 2HD LYS 100 21.297 -4.299 -8.106 768 1HE LYS 100 1HE LYS 100 23.301 -6.019 -7.214 769 2HE LYS 100 2HE LYS 100 23.089 -6.457 -8.909 770 1HZ LYS 100 1HZ LYS 100 23.399 -3.663 -7.966 771 2HZ LYS 100 2HZ LYS 100 24.698 -4.623 -8.499 772 3HZ LYS 100 3HZ LYS 100 23.439 -4.221 -9.568 773 H ALA 101 H ALA 101 18.560 -3.752 -3.002 774 HA ALA 101 HA ALA 101 19.083 -0.940 -3.744 775 1HB ALA 101 1HB ALA 101 17.034 -2.300 -1.988 776 2HB ALA 101 2HB ALA 101 17.202 -0.545 -2.041 777 3HB ALA 101 3HB ALA 101 16.768 -1.434 -3.502 778 H GLU 102 H GLU 102 19.922 -3.199 -1.256 779 HA GLU 102 HA GLU 102 20.504 -1.238 0.804 780 1HB GLU 102 1HB GLU 102 20.097 -3.556 1.424 781 2HB GLU 102 2HB GLU 102 21.445 -4.095 0.424 782 1HG GLU 102 1HG GLU 102 22.197 -4.000 2.729 783 2HG GLU 102 2HG GLU 102 22.975 -2.692 1.836 784 H GLU 103 H GLU 103 22.377 -2.804 -1.765 785 HA GLU 103 HA GLU 103 24.938 -1.794 -0.911 786 1HB GLU 103 1HB GLU 103 24.110 -3.581 -2.817 787 2HB GLU 103 2HB GLU 103 24.552 -2.192 -3.812 788 1HG GLU 103 1HG GLU 103 26.779 -2.274 -3.186 789 2HG GLU 103 2HG GLU 103 26.421 -3.010 -1.623 790 H HIS 104 H HIS 104 22.262 -0.378 -2.621 791 HA HIS 104 HA HIS 104 23.748 1.733 -3.924 792 1HB HIS 104 1HB HIS 104 21.049 0.870 -3.814 793 2HB HIS 104 2HB HIS 104 21.064 2.547 -3.271 794 HD1 HIS 104 HD1 HIS 104 21.159 0.520 -6.287 795 HD2 HIS 104 HD2 HIS 104 22.533 4.305 -5.206 796 HE1 HIS 104 HE1 HIS 104 21.630 1.756 -8.448 797 H ILE 105 H ILE 105 21.770 1.681 -0.934 798 HA ILE 105 HA ILE 105 22.845 4.324 -0.184 799 HB ILE 105 HB ILE 105 20.921 2.469 1.254 800 1HG1 ILE 105 1HG1 ILE 105 20.373 5.021 -0.291 801 2HG1 ILE 105 2HG1 ILE 105 20.150 3.404 -0.959 802 1HG2 ILE 105 1HG2 ILE 105 22.031 5.194 1.845 803 2HG2 ILE 105 2HG2 ILE 105 20.383 4.809 2.338 804 3HG2 ILE 105 3HG2 ILE 105 21.733 3.851 2.947 805 1HD1 ILE 105 1HD1 ILE 105 18.799 4.429 1.554 806 2HD1 ILE 105 2HD1 ILE 105 18.035 4.351 -0.035 807 3HD1 ILE 105 3HD1 ILE 105 18.526 2.867 0.783 808 H SER 106 H SER 106 24.494 1.749 -0.281 809 HA SER 106 HA SER 106 25.154 0.715 2.209 810 1HB SER 106 1HB SER 106 27.643 1.025 1.157 811 2HB SER 106 2HB SER 106 26.526 -0.240 0.655 812 HG SER 106 HG SER 106 27.018 2.278 -0.545 813 H SER 107 H SER 107 26.593 3.674 0.785 814 HA SER 107 HA SER 107 27.524 4.440 3.502 815 1HB SER 107 1HB SER 107 28.111 5.994 0.995 816 2HB SER 107 2HB SER 107 29.081 5.846 2.458 817 HG SER 107 HG SER 107 29.282 4.443 0.251 818 H SER 108 H SER 108 26.557 6.096 4.602 819 HA SER 108 HA SER 108 25.072 8.196 3.230 820 1HB SER 108 1HB SER 108 23.117 7.037 3.161 821 2HB SER 108 2HB SER 108 23.691 5.825 4.302 822 HG SER 108 HG SER 108 22.949 6.992 5.931 823 H HIS 109 H HIS 109 24.925 9.994 4.542 824 HA HIS 109 HA HIS 109 24.928 9.855 7.432 825 1HB HIS 109 1HB HIS 109 27.147 10.856 7.810 826 2HB HIS 109 2HB HIS 109 27.306 9.292 7.010 827 HD1 HIS 109 HD1 HIS 109 29.134 12.083 6.830 828 HD2 HIS 109 HD2 HIS 109 26.760 10.313 3.894 829 HE1 HIS 109 HE1 HIS 109 30.009 12.914 4.604 830 H GLY 110 H GLY 110 25.187 12.166 8.339 831 1HA GLY 110 1HA GLY 110 25.040 14.558 7.982 832 2HA GLY 110 2HA GLY 110 24.578 14.250 6.309 833 H ASP 111 H ASP 111 22.882 15.925 7.158 834 HA ASP 111 HA ASP 111 20.650 14.537 8.558 835 1HB ASP 111 1HB ASP 111 21.649 17.008 9.017 836 2HB ASP 111 2HB ASP 111 20.420 17.408 7.814 837 H VAL 112 H VAL 112 18.776 14.043 7.466 838 HA VAL 112 HA VAL 112 17.524 13.519 5.531 839 HB VAL 112 HB VAL 112 16.563 15.485 4.501 840 1HG1 VAL 112 1HG1 VAL 112 17.273 16.007 7.404 841 2HG1 VAL 112 2HG1 VAL 112 15.979 16.817 6.520 842 3HG1 VAL 112 3HG1 VAL 112 15.888 15.083 6.821 843 1HG2 VAL 112 1HG2 VAL 112 18.887 16.562 4.194 844 2HG2 VAL 112 2HG2 VAL 112 17.551 17.648 4.575 845 3HG2 VAL 112 3HG2 VAL 112 18.687 17.171 5.836 846 H ASP 113 H ASP 113 20.476 13.374 5.256 847 HA ASP 113 HA ASP 113 21.098 14.354 2.575 848 1HB ASP 113 1HB ASP 113 22.858 14.155 4.273 849 2HB ASP 113 2HB ASP 113 22.549 12.424 4.412 850 H TYR 114 H TYR 114 21.956 11.054 3.340 851 HA TYR 114 HA TYR 114 20.836 10.096 0.851 852 1HB TYR 114 1HB TYR 114 22.677 9.141 2.738 853 2HB TYR 114 2HB TYR 114 21.325 8.011 2.829 854 HD1 TYR 114 HD1 TYR 114 20.256 7.803 0.196 855 HD2 TYR 114 HD2 TYR 114 24.359 8.287 1.372 856 HE1 TYR 114 HE1 TYR 114 20.990 6.753 -1.928 857 HE2 TYR 114 HE2 TYR 114 25.093 7.238 -0.752 858 HH TYR 114 HH TYR 114 24.174 6.902 -3.048 859 H ALA 115 H ALA 115 19.684 10.519 4.064 860 HA ALA 115 HA ALA 115 17.627 8.597 4.250 861 1HB ALA 115 1HB ALA 115 18.338 11.117 5.518 862 2HB ALA 115 2HB ALA 115 16.588 10.961 5.348 863 3HB ALA 115 3HB ALA 115 17.504 9.723 6.205 864 H GLN 116 H GLN 116 17.641 11.795 2.689 865 HA GLN 116 HA GLN 116 14.889 11.784 1.898 866 1HB GLN 116 1HB GLN 116 17.212 13.429 1.473 867 2HB GLN 116 2HB GLN 116 16.412 13.152 -0.074 868 1HG GLN 116 1HG GLN 116 14.259 13.861 0.916 869 2HG GLN 116 2HG GLN 116 15.074 14.165 2.451 870 1HE2 GLN 116 2HE2 GLN 116 15.214 16.412 2.640 871 2HE2 GLN 116 1HE2 GLN 116 15.774 17.451 1.421 872 H ALA 117 H ALA 117 17.850 10.758 0.188 873 HA ALA 117 HA ALA 117 16.471 9.893 -2.189 874 1HB ALA 117 1HB ALA 117 19.003 10.361 -1.837 875 2HB ALA 117 2HB ALA 117 19.072 8.709 -1.224 876 3HB ALA 117 3HB ALA 117 18.549 9.013 -2.880 877 H SER 118 H SER 118 16.590 8.617 0.950 878 HA SER 118 HA SER 118 16.330 5.803 0.167 879 1HB SER 118 1HB SER 118 17.373 6.445 2.325 880 2HB SER 118 2HB SER 118 15.845 7.155 2.841 881 HG SER 118 HG SER 118 16.367 4.441 2.184 882 H ALA 119 H ALA 119 14.309 8.303 -0.261 883 HA ALA 119 HA ALA 119 11.851 7.069 0.790 884 1HB ALA 119 1HB ALA 119 12.373 9.550 -0.866 885 2HB ALA 119 2HB ALA 119 10.756 9.016 -0.411 886 3HB ALA 119 3HB ALA 119 11.917 9.474 0.835 887 H GLU 120 H GLU 120 13.387 7.640 -2.369 888 HA GLU 120 HA GLU 120 11.212 6.366 -3.833 889 1HB GLU 120 1HB GLU 120 12.595 6.661 -5.783 890 2HB GLU 120 2HB GLU 120 12.784 8.108 -4.792 891 1HG GLU 120 1HG GLU 120 14.724 6.324 -3.832 892 2HG GLU 120 2HG GLU 120 14.789 6.164 -5.588 893 H LEU 121 H LEU 121 13.988 5.277 -2.114 894 HA LEU 121 HA LEU 121 14.417 2.815 -3.575 895 1HB LEU 121 1HB LEU 121 16.105 3.867 -2.049 896 2HB LEU 121 2HB LEU 121 15.081 3.434 -0.681 897 HG LEU 121 HG LEU 121 15.723 1.246 -2.588 898 1HD1 LEU 121 1HD1 LEU 121 17.773 2.856 -1.236 899 2HD1 LEU 121 2HD1 LEU 121 17.856 1.143 -0.827 900 3HD1 LEU 121 3HD1 LEU 121 17.952 1.652 -2.513 901 1HD2 LEU 121 1HD2 LEU 121 15.110 1.668 0.290 902 2HD2 LEU 121 2HD2 LEU 121 14.587 0.378 -0.793 903 3HD2 LEU 121 3HD2 LEU 121 16.200 0.331 -0.081 904 H ALA 122 H ALA 122 13.055 3.307 -0.294 905 HA ALA 122 HA ALA 122 11.964 0.730 0.008 906 1HB ALA 122 1HB ALA 122 12.064 2.875 1.608 907 2HB ALA 122 2HB ALA 122 10.395 3.039 1.063 908 3HB ALA 122 3HB ALA 122 10.914 1.566 1.883 909 H LYS 123 H LYS 123 10.936 3.299 -2.052 910 HA LYS 123 HA LYS 123 8.199 2.980 -2.330 911 1HB LYS 123 1HB LYS 123 10.246 4.109 -3.871 912 2HB LYS 123 2HB LYS 123 9.457 2.962 -4.954 913 1HG LYS 123 1HG LYS 123 7.440 4.083 -4.903 914 2HG LYS 123 2HG LYS 123 7.710 4.709 -3.276 915 1HD LYS 123 1HD LYS 123 8.559 6.625 -4.096 916 2HD LYS 123 2HD LYS 123 9.724 5.734 -5.077 917 1HE LYS 123 1HE LYS 123 6.870 5.812 -5.977 918 2HE LYS 123 2HE LYS 123 7.869 7.245 -6.224 919 1HZ LYS 123 1HZ LYS 123 8.778 4.548 -7.025 920 2HZ LYS 123 2HZ LYS 123 7.851 5.523 -8.061 921 3HZ LYS 123 3HZ LYS 123 9.375 6.052 -7.530 922 H ALA 124 H ALA 124 10.726 0.804 -3.557 923 HA ALA 124 HA ALA 124 8.680 -0.973 -4.732 924 1HB ALA 124 1HB ALA 124 11.496 -0.507 -5.121 925 2HB ALA 124 2HB ALA 124 11.223 -2.216 -4.781 926 3HB ALA 124 3HB ALA 124 10.384 -1.439 -6.123 927 H ILE 125 H ILE 125 10.596 -0.716 -1.830 928 HA ILE 125 HA ILE 125 10.328 -3.520 -1.090 929 HB ILE 125 HB ILE 125 11.203 -1.034 0.386 930 1HG1 ILE 125 1HG1 ILE 125 13.323 -2.456 0.510 931 2HG1 ILE 125 2HG1 ILE 125 12.534 -3.564 -0.614 932 1HG2 ILE 125 1HG2 ILE 125 10.523 -3.756 1.447 933 2HG2 ILE 125 2HG2 ILE 125 11.907 -2.902 2.132 934 3HG2 ILE 125 3HG2 ILE 125 10.300 -2.176 2.198 935 1HD1 ILE 125 1HD1 ILE 125 12.950 -0.607 -1.138 936 2HD1 ILE 125 2HD1 ILE 125 13.989 -1.886 -1.765 937 3HD1 ILE 125 3HD1 ILE 125 12.303 -1.795 -2.270 938 H ALA 126 H ALA 126 8.075 -1.107 -1.325 939 HA ALA 126 HA ALA 126 6.612 -1.523 1.146 940 1HB ALA 126 1HB ALA 126 6.469 0.409 -0.682 941 2HB ALA 126 2HB ALA 126 5.229 -0.646 -1.357 942 3HB ALA 126 3HB ALA 126 5.062 -0.030 0.286 943 H GLN 127 H GLN 127 6.822 -3.176 -1.906 944 HA GLN 127 HA GLN 127 4.340 -4.703 -1.423 945 1HB GLN 127 1HB GLN 127 4.781 -5.725 -3.579 946 2HB GLN 127 2HB GLN 127 5.036 -3.987 -3.733 947 1HG GLN 127 1HG GLN 127 7.515 -4.539 -3.135 948 2HG GLN 127 2HG GLN 127 7.087 -6.187 -3.599 949 1HE2 GLN 127 2HE2 GLN 127 6.703 -2.830 -4.886 950 2HE2 GLN 127 1HE2 GLN 127 6.969 -3.268 -6.504 951 H LEU 128 H LEU 128 7.833 -5.101 -1.215 952 HA LEU 128 HA LEU 128 7.886 -7.945 -0.922 953 1HB LEU 128 1HB LEU 128 9.790 -5.993 -1.052 954 2HB LEU 128 2HB LEU 128 9.851 -6.404 0.662 955 HG LEU 128 HG LEU 128 9.661 -8.810 -0.930 956 1HD1 LEU 128 1HD1 LEU 128 10.771 -7.264 -2.610 957 2HD1 LEU 128 2HD1 LEU 128 12.108 -7.109 -1.471 958 3HD1 LEU 128 3HD1 LEU 128 11.720 -8.683 -2.166 959 1HD2 LEU 128 1HD2 LEU 128 11.311 -7.613 1.226 960 2HD2 LEU 128 2HD2 LEU 128 10.605 -9.226 1.114 961 3HD2 LEU 128 3HD2 LEU 128 12.106 -8.858 0.263 962 H ARG 129 H ARG 129 6.873 -5.423 1.224 963 HA ARG 129 HA ARG 129 7.112 -7.142 3.616 964 1HB ARG 129 1HB ARG 129 6.816 -4.308 3.096 965 2HB ARG 129 2HB ARG 129 5.587 -4.857 4.236 966 1HG ARG 129 1HG ARG 129 7.179 -5.613 5.788 967 2HG ARG 129 2HG ARG 129 8.459 -5.694 4.578 968 1HD ARG 129 1HD ARG 129 7.872 -3.059 4.434 969 2HD ARG 129 2HD ARG 129 7.459 -3.361 6.122 970 HE ARG 129 HE ARG 129 9.993 -4.546 5.624 971 1HH1 ARG 129 1HH1 ARG 129 10.594 -2.143 4.073 972 2HH1 ARG 129 2HH1 ARG 129 11.077 -0.994 5.276 973 1HH2 ARG 129 1HH2 ARG 129 9.700 -2.776 7.912 974 2HH2 ARG 129 2HH2 ARG 129 10.571 -1.353 7.450 975 H VAL 130 H VAL 130 4.500 -5.572 1.739 976 HA VAL 130 HA VAL 130 2.357 -6.697 3.243 977 HB VAL 130 HB VAL 130 2.448 -4.835 1.337 978 1HG1 VAL 130 1HG1 VAL 130 2.886 -6.937 -0.282 979 2HG1 VAL 130 2HG1 VAL 130 1.123 -6.950 -0.289 980 3HG1 VAL 130 3HG1 VAL 130 1.997 -5.510 -0.812 981 1HG2 VAL 130 1HG2 VAL 130 0.414 -6.322 2.683 982 2HG2 VAL 130 2HG2 VAL 130 0.325 -4.677 2.055 983 3HG2 VAL 130 3HG2 VAL 130 -0.125 -6.038 1.028 984 H ILE 131 H ILE 131 4.342 -8.019 0.675 985 HA ILE 131 HA ILE 131 2.562 -10.355 0.351 986 HB ILE 131 HB ILE 131 3.713 -9.334 -1.611 987 1HG1 ILE 131 1HG1 ILE 131 4.484 -12.174 -0.870 988 2HG1 ILE 131 2HG1 ILE 131 3.056 -11.664 -1.773 989 1HG2 ILE 131 1HG2 ILE 131 5.823 -8.912 -0.107 990 2HG2 ILE 131 2HG2 ILE 131 6.274 -10.544 -0.601 991 3HG2 ILE 131 3HG2 ILE 131 6.043 -9.287 -1.816 992 1HD1 ILE 131 1HD1 ILE 131 5.237 -10.531 -3.141 993 2HD1 ILE 131 2HD1 ILE 131 5.739 -12.175 -2.747 994 3HD1 ILE 131 3HD1 ILE 131 4.258 -11.901 -3.664 995 H GLU 132 H GLU 132 5.593 -9.499 1.913 996 HA GLU 132 HA GLU 132 6.439 -12.224 2.407 997 1HB GLU 132 1HB GLU 132 7.252 -9.514 3.389 998 2HB GLU 132 2HB GLU 132 7.797 -10.935 4.279 999 1HG GLU 132 1HG GLU 132 8.091 -10.834 1.287 1000 2HG GLU 132 2HG GLU 132 9.277 -10.033 2.320 1001 H LEU 133 H LEU 133 4.470 -9.891 4.193 1002 HA LEU 133 HA LEU 133 4.366 -11.612 6.566 1003 1HB LEU 133 1HB LEU 133 2.977 -9.909 7.527 1004 2HB LEU 133 2HB LEU 133 4.238 -9.074 6.619 1005 HG LEU 133 HG LEU 133 2.388 -9.344 4.668 1006 1HD1 LEU 133 1HD1 LEU 133 1.002 -9.727 7.245 1007 2HD1 LEU 133 2HD1 LEU 133 0.288 -8.490 6.210 1008 3HD1 LEU 133 3HD1 LEU 133 0.476 -10.139 5.613 1009 1HD2 LEU 133 1HD2 LEU 133 3.491 -7.253 5.398 1010 2HD2 LEU 133 2HD2 LEU 133 1.760 -7.009 5.165 1011 3HD2 LEU 133 3HD2 LEU 133 2.414 -7.177 6.794 1012 H THR 134 H THR 134 3.153 -12.157 3.668 1013 HA THR 134 HA THR 134 0.341 -12.647 4.353 1014 HB THR 134 HB THR 134 0.204 -13.599 2.078 1015 HG1 THR 134 HG1 THR 134 2.137 -13.545 0.824 1016 1HG2 THR 134 1HG2 THR 134 0.085 -11.135 2.421 1017 2HG2 THR 134 2HG2 THR 134 1.825 -11.039 2.148 1018 3HG2 THR 134 3HG2 THR 134 0.756 -11.564 0.847 1019 H LYS 135 H LYS 135 3.268 -14.264 4.866 1020 HA LYS 135 HA LYS 135 2.152 -16.975 4.647 1021 1HB LYS 135 1HB LYS 135 4.345 -17.711 5.461 1022 2HB LYS 135 2HB LYS 135 4.547 -16.540 4.158 1023 1HG LYS 135 1HG LYS 135 4.759 -14.746 5.931 1024 2HG LYS 135 2HG LYS 135 4.817 -16.038 7.131 1025 1HD LYS 135 1HD LYS 135 6.695 -16.990 5.509 1026 2HD LYS 135 2HD LYS 135 6.830 -15.294 5.047 1027 1HE LYS 135 1HE LYS 135 7.912 -14.796 6.958 1028 2HE LYS 135 2HE LYS 135 6.639 -15.540 7.925 1029 1HZ LYS 135 1HZ LYS 135 7.767 -17.720 7.067 1030 2HZ LYS 135 2HZ LYS 135 9.120 -16.710 6.897 1031 3HZ LYS 135 3HZ LYS 135 8.385 -16.894 8.418 1032 H LYS 136 H LYS 136 3.256 -14.831 7.295 1033 HA LYS 136 HA LYS 136 2.269 -16.688 9.327 1034 1HB LYS 136 1HB LYS 136 4.158 -14.722 9.355 1035 2HB LYS 136 2HB LYS 136 2.795 -13.878 10.093 1036 1HG LYS 136 1HG LYS 136 3.454 -14.882 12.016 1037 2HG LYS 136 2HG LYS 136 2.703 -16.329 11.344 1038 1HD LYS 136 1HD LYS 136 4.716 -17.291 10.797 1039 2HD LYS 136 2HD LYS 136 5.487 -15.738 10.473 1040 1HE LYS 136 1HE LYS 136 5.078 -15.447 13.112 1041 2HE LYS 136 2HE LYS 136 5.194 -17.206 13.048 1042 1HZ LYS 136 1HZ LYS 136 7.185 -15.629 11.592 1043 2HZ LYS 136 2HZ LYS 136 7.318 -15.715 13.280 1044 3HZ LYS 136 3HZ LYS 136 7.345 -17.139 12.355 1045 H ALA 137 H ALA 137 0.734 -14.582 7.258 1046 HA ALA 137 HA ALA 137 -1.197 -13.436 9.114 1047 1HB ALA 137 1HB ALA 137 -0.484 -12.989 6.450 1048 2HB ALA 137 2HB ALA 137 -2.114 -13.653 6.354 1049 3HB ALA 137 3HB ALA 137 -1.806 -12.209 7.318 1050 H MET 138 H MET 138 -0.865 -16.443 7.413 1051 HA MET 138 HA MET 138 -3.679 -17.160 7.476 1052 1HB MET 138 1HB MET 138 -1.137 -18.757 7.097 1053 2HB MET 138 2HB MET 138 -2.736 -19.501 7.084 1054 1HG MET 138 1HG MET 138 -3.387 -17.842 5.286 1055 2HG MET 138 2HG MET 138 -1.689 -17.370 5.205 1056 1HE MET 138 1HE MET 138 -2.079 -17.718 2.865 1057 2HE MET 138 2HE MET 138 -0.465 -18.435 2.959 1058 3HE MET 138 3HE MET 138 -1.727 -19.221 2.015 Start of MODEL 16 1 1H ALA 1 1H ALA 1 -21.816 -1.682 12.144 2 2H ALA 1 2H ALA 1 -22.706 -3.009 11.574 3 3H ALA 1 3H ALA 1 -22.008 -3.059 13.121 4 HA ALA 1 HA ALA 1 -20.188 -3.964 12.291 5 1HB ALA 1 1HB ALA 1 -22.036 -3.969 10.075 6 2HB ALA 1 2HB ALA 1 -20.395 -3.726 9.478 7 3HB ALA 1 3HB ALA 1 -20.775 -5.140 10.462 8 H MET 2 H MET 2 -18.108 -3.238 11.835 9 HA MET 2 HA MET 2 -17.891 -0.362 11.140 10 1HB MET 2 1HB MET 2 -16.314 -2.287 12.717 11 2HB MET 2 2HB MET 2 -15.341 -1.206 11.716 12 1HG MET 2 1HG MET 2 -16.865 0.677 12.663 13 2HG MET 2 2HG MET 2 -17.285 -0.500 13.906 14 1HE MET 2 1HE MET 2 -16.264 -1.263 15.502 15 2HE MET 2 2HE MET 2 -14.623 -1.881 15.259 16 3HE MET 2 3HE MET 2 -14.907 -0.529 16.353 17 H THR 3 H THR 3 -18.018 -0.290 8.884 18 HA THR 3 HA THR 3 -15.681 -0.848 7.365 19 HB THR 3 HB THR 3 -16.489 -3.230 7.790 20 HG1 THR 3 HG1 THR 3 -16.593 -3.454 5.257 21 1HG2 THR 3 1HG2 THR 3 -18.922 -2.602 7.562 22 2HG2 THR 3 2HG2 THR 3 -18.646 -2.440 5.828 23 3HG2 THR 3 3HG2 THR 3 -18.440 -4.006 6.611 24 H TYR 4 H TYR 4 -15.832 0.566 5.737 25 HA TYR 4 HA TYR 4 -18.529 1.423 4.821 26 1HB TYR 4 1HB TYR 4 -17.301 3.348 3.818 27 2HB TYR 4 2HB TYR 4 -17.054 3.232 5.559 28 HD1 TYR 4 HD1 TYR 4 -15.506 2.387 2.262 29 HD2 TYR 4 HD2 TYR 4 -14.872 2.949 6.473 30 HE1 TYR 4 HE1 TYR 4 -13.082 2.310 1.897 31 HE2 TYR 4 HE2 TYR 4 -12.413 2.858 6.104 32 HH TYR 4 HH TYR 4 -11.064 2.966 2.909 33 H HIS 5 H HIS 5 -17.631 2.385 2.257 34 HA HIS 5 HA HIS 5 -16.873 -0.188 0.937 35 1HB HIS 5 1HB HIS 5 -19.073 -0.025 0.223 36 2HB HIS 5 2HB HIS 5 -19.085 1.734 0.333 37 HD1 HIS 5 HD1 HIS 5 -18.899 -0.919 -2.117 38 HD2 HIS 5 HD2 HIS 5 -17.282 2.901 -1.789 39 HE1 HIS 5 HE1 HIS 5 -18.137 -0.256 -4.442 40 H LEU 6 H LEU 6 -15.372 -0.017 -0.773 41 HA LEU 6 HA LEU 6 -14.478 2.720 -1.436 42 1HB LEU 6 1HB LEU 6 -12.242 2.390 -0.950 43 2HB LEU 6 2HB LEU 6 -12.997 1.452 0.330 44 HG LEU 6 HG LEU 6 -12.885 -0.506 -1.366 45 1HD1 LEU 6 1HD1 LEU 6 -11.346 1.642 -2.677 46 2HD1 LEU 6 2HD1 LEU 6 -10.505 0.092 -2.599 47 3HD1 LEU 6 3HD1 LEU 6 -12.086 0.201 -3.375 48 1HD2 LEU 6 1HD2 LEU 6 -10.888 0.639 0.456 49 2HD2 LEU 6 2HD2 LEU 6 -11.479 -1.018 0.331 50 3HD2 LEU 6 3HD2 LEU 6 -10.198 -0.456 -0.743 51 H ASP 7 H ASP 7 -13.012 2.683 -3.444 52 HA ASP 7 HA ASP 7 -13.458 0.342 -5.190 53 1HB ASP 7 1HB ASP 7 -15.176 2.602 -5.277 54 2HB ASP 7 2HB ASP 7 -14.148 2.681 -6.708 55 H VAL 8 H VAL 8 -11.230 0.085 -5.431 56 HA VAL 8 HA VAL 8 -9.669 2.431 -6.399 57 HB VAL 8 HB VAL 8 -7.688 1.074 -5.953 58 1HG1 VAL 8 1HG1 VAL 8 -9.631 1.824 -3.990 59 2HG1 VAL 8 2HG1 VAL 8 -8.865 0.325 -3.465 60 3HG1 VAL 8 3HG1 VAL 8 -7.877 1.743 -3.816 61 1HG2 VAL 8 1HG2 VAL 8 -9.759 -1.083 -5.618 62 2HG2 VAL 8 2HG2 VAL 8 -8.262 -1.120 -6.548 63 3HG2 VAL 8 3HG2 VAL 8 -8.210 -1.212 -4.787 64 H VAL 9 H VAL 9 -8.555 2.306 -8.414 65 HA VAL 9 HA VAL 9 -8.895 -0.080 -10.097 66 HB VAL 9 HB VAL 9 -9.971 2.485 -11.233 67 1HG1 VAL 9 1HG1 VAL 9 -10.015 -0.431 -11.824 68 2HG1 VAL 9 2HG1 VAL 9 -11.475 0.475 -12.220 69 3HG1 VAL 9 3HG1 VAL 9 -9.929 0.940 -12.930 70 1HG2 VAL 9 1HG2 VAL 9 -11.182 2.131 -9.092 71 2HG2 VAL 9 2HG2 VAL 9 -12.233 1.859 -10.482 72 3HG2 VAL 9 3HG2 VAL 9 -11.572 0.486 -9.597 73 H SER 10 H SER 10 -7.053 -0.264 -11.286 74 HA SER 10 HA SER 10 -5.433 2.212 -11.703 75 1HB SER 10 1HB SER 10 -4.740 -0.322 -10.638 76 2HB SER 10 2HB SER 10 -3.955 -0.209 -12.211 77 HG SER 10 HG SER 10 -2.770 1.417 -11.513 78 H ALA 11 H ALA 11 -5.968 2.938 -13.728 79 HA ALA 11 HA ALA 11 -6.182 2.949 -16.060 80 1HB ALA 11 1HB ALA 11 -4.318 0.611 -15.624 81 2HB ALA 11 2HB ALA 11 -4.796 1.139 -17.237 82 3HB ALA 11 3HB ALA 11 -3.914 2.237 -16.174 83 H GLU 12 H GLU 12 -5.872 -0.529 -16.207 84 HA GLU 12 HA GLU 12 -8.833 -0.813 -16.366 85 1HB GLU 12 1HB GLU 12 -6.836 -1.669 -18.479 86 2HB GLU 12 2HB GLU 12 -8.510 -2.221 -18.434 87 1HG GLU 12 1HG GLU 12 -8.925 -0.388 -19.711 88 2HG GLU 12 2HG GLU 12 -8.822 0.491 -18.186 89 H GLN 13 H GLN 13 -7.647 -1.688 -14.157 90 HA GLN 13 HA GLN 13 -7.354 -4.631 -14.602 91 1HB GLN 13 1HB GLN 13 -5.419 -2.846 -13.541 92 2HB GLN 13 2HB GLN 13 -6.027 -3.803 -12.189 93 1HG GLN 13 1HG GLN 13 -4.787 -5.544 -12.886 94 2HG GLN 13 2HG GLN 13 -5.701 -5.572 -14.395 95 1HE2 GLN 13 2HE2 GLN 13 -2.582 -5.395 -13.307 96 2HE2 GLN 13 1HE2 GLN 13 -1.884 -4.504 -14.573 97 H GLN 14 H GLN 14 -7.799 -5.845 -12.470 98 HA GLN 14 HA GLN 14 -10.113 -4.527 -11.108 99 1HB GLN 14 1HB GLN 14 -10.113 -6.881 -12.518 100 2HB GLN 14 2HB GLN 14 -9.846 -7.454 -10.872 101 1HG GLN 14 1HG GLN 14 -11.906 -5.360 -11.100 102 2HG GLN 14 2HG GLN 14 -12.310 -6.867 -11.924 103 1HE2 GLN 14 2HE2 GLN 14 -11.410 -5.513 -8.741 104 2HE2 GLN 14 1HE2 GLN 14 -12.008 -6.819 -7.837 105 H MET 15 H MET 15 -9.456 -3.811 -9.127 106 HA MET 15 HA MET 15 -7.597 -5.572 -7.577 107 1HB MET 15 1HB MET 15 -7.749 -2.621 -7.932 108 2HB MET 15 2HB MET 15 -7.347 -3.204 -6.316 109 1HG MET 15 1HG MET 15 -5.622 -4.720 -7.488 110 2HG MET 15 2HG MET 15 -5.868 -3.695 -8.902 111 1HE MET 15 1HE MET 15 -3.586 -4.526 -6.735 112 2HE MET 15 2HE MET 15 -2.878 -3.580 -8.049 113 3HE MET 15 3HE MET 15 -2.608 -3.106 -6.374 114 H PHE 16 H PHE 16 -9.557 -2.817 -6.494 115 HA PHE 16 HA PHE 16 -11.122 -4.714 -4.793 116 1HB PHE 16 1HB PHE 16 -9.237 -3.430 -3.598 117 2HB PHE 16 2HB PHE 16 -10.220 -1.988 -3.851 118 HD1 PHE 16 HD1 PHE 16 -10.123 -5.326 -2.239 119 HD2 PHE 16 HD2 PHE 16 -12.219 -1.599 -2.587 120 HE1 PHE 16 HE1 PHE 16 -11.506 -5.916 -0.268 121 HE2 PHE 16 HE2 PHE 16 -13.598 -2.172 -0.627 122 HZ PHE 16 HZ PHE 16 -13.241 -4.344 0.542 123 H SER 17 H SER 17 -13.291 -4.097 -4.416 124 HA SER 17 HA SER 17 -14.387 -1.541 -5.120 125 1HB SER 17 1HB SER 17 -15.665 -2.309 -7.154 126 2HB SER 17 2HB SER 17 -13.929 -2.155 -7.413 127 HG SER 17 HG SER 17 -13.724 -4.335 -7.329 128 H GLY 18 H GLY 18 -15.526 -1.883 -3.159 129 1HA GLY 18 1HA GLY 18 -18.104 -2.808 -3.157 130 2HA GLY 18 2HA GLY 18 -17.184 -4.273 -2.809 131 H LEU 19 H LEU 19 -17.928 -4.458 -0.648 132 HA LEU 19 HA LEU 19 -17.912 -2.292 1.230 133 1HB LEU 19 1HB LEU 19 -17.617 -5.245 1.846 134 2HB LEU 19 2HB LEU 19 -18.231 -3.989 2.924 135 HG LEU 19 HG LEU 19 -19.524 -5.155 0.463 136 1HD1 LEU 19 1HD1 LEU 19 -19.851 -5.467 3.234 137 2HD1 LEU 19 2HD1 LEU 19 -21.210 -4.466 2.721 138 3HD1 LEU 19 3HD1 LEU 19 -20.942 -6.040 1.972 139 1HD2 LEU 19 1HD2 LEU 19 -19.512 -2.654 0.240 140 2HD2 LEU 19 2HD2 LEU 19 -21.136 -3.313 0.460 141 3HD2 LEU 19 3HD2 LEU 19 -20.304 -2.547 1.814 142 H VAL 20 H VAL 20 -16.388 -2.453 3.288 143 HA VAL 20 HA VAL 20 -13.800 -3.554 3.124 144 HB VAL 20 HB VAL 20 -13.068 -2.418 1.270 145 1HG1 VAL 20 1HG1 VAL 20 -15.316 -0.569 1.914 146 2HG1 VAL 20 2HG1 VAL 20 -14.016 0.045 0.899 147 3HG1 VAL 20 3HG1 VAL 20 -14.928 -1.376 0.398 148 1HG2 VAL 20 1HG2 VAL 20 -12.855 -0.303 3.422 149 2HG2 VAL 20 2HG2 VAL 20 -11.606 -1.453 2.906 150 3HG2 VAL 20 3HG2 VAL 20 -12.112 -0.145 1.831 151 H GLU 21 H GLU 21 -12.502 -2.872 4.890 152 HA GLU 21 HA GLU 21 -13.517 -0.631 6.559 153 1HB GLU 21 1HB GLU 21 -14.653 -2.388 7.655 154 2HB GLU 21 2HB GLU 21 -13.345 -3.534 7.378 155 1HG GLU 21 1HG GLU 21 -12.465 -1.225 8.931 156 2HG GLU 21 2HG GLU 21 -13.788 -2.084 9.718 157 H LYS 22 H LYS 22 -11.049 -3.195 6.217 158 HA LYS 22 HA LYS 22 -9.081 -1.413 7.531 159 1HB LYS 22 1HB LYS 22 -9.350 -4.025 7.861 160 2HB LYS 22 2HB LYS 22 -8.364 -4.095 6.400 161 1HG LYS 22 1HG LYS 22 -6.544 -3.014 7.419 162 2HG LYS 22 2HG LYS 22 -7.548 -2.334 8.701 163 1HD LYS 22 1HD LYS 22 -7.986 -4.866 9.290 164 2HD LYS 22 2HD LYS 22 -6.477 -5.119 8.413 165 1HE LYS 22 1HE LYS 22 -5.458 -4.633 10.377 166 2HE LYS 22 2HE LYS 22 -5.873 -2.957 10.018 167 1HZ LYS 22 1HZ LYS 22 -7.766 -4.765 11.392 168 2HZ LYS 22 2HZ LYS 22 -6.597 -3.888 12.252 169 3HZ LYS 22 3HZ LYS 22 -7.772 -3.067 11.342 170 H ILE 23 H ILE 23 -7.757 -0.169 6.345 171 HA ILE 23 HA ILE 23 -6.867 -1.002 3.639 172 HB ILE 23 HB ILE 23 -7.483 1.348 2.830 173 1HG1 ILE 23 1HG1 ILE 23 -8.056 2.099 5.182 174 2HG1 ILE 23 2HG1 ILE 23 -9.220 2.540 3.943 175 1HG2 ILE 23 1HG2 ILE 23 -9.417 -0.898 3.225 176 2HG2 ILE 23 2HG2 ILE 23 -10.008 0.614 2.546 177 3HG2 ILE 23 3HG2 ILE 23 -8.720 -0.270 1.735 178 1HD1 ILE 23 1HD1 ILE 23 -10.304 0.189 4.654 179 2HD1 ILE 23 2HD1 ILE 23 -9.481 0.554 6.166 180 3HD1 ILE 23 3HD1 ILE 23 -10.675 1.669 5.528 181 H GLN 24 H GLN 24 -5.064 -0.920 5.458 182 HA GLN 24 HA GLN 24 -4.093 1.849 5.931 183 1HB GLN 24 1HB GLN 24 -4.242 0.032 7.754 184 2HB GLN 24 2HB GLN 24 -2.828 -0.682 6.979 185 1HG GLN 24 1HG GLN 24 -1.766 1.658 7.155 186 2HG GLN 24 2HG GLN 24 -3.073 2.032 8.279 187 1HE2 GLN 24 2HE2 GLN 24 0.077 1.034 8.283 188 2HE2 GLN 24 1HE2 GLN 24 0.090 0.111 9.708 189 H VAL 25 H VAL 25 -2.373 2.680 4.886 190 HA VAL 25 HA VAL 25 -0.714 0.821 3.231 191 HB VAL 25 HB VAL 25 -2.002 2.206 1.738 192 1HG1 VAL 25 1HG1 VAL 25 -1.162 4.409 3.622 193 2HG1 VAL 25 2HG1 VAL 25 -1.693 4.766 1.978 194 3HG1 VAL 25 3HG1 VAL 25 -2.790 3.970 3.106 195 1HG2 VAL 25 1HG2 VAL 25 0.854 2.411 1.985 196 2HG2 VAL 25 2HG2 VAL 25 -0.124 2.442 0.517 197 3HG2 VAL 25 3HG2 VAL 25 0.222 3.942 1.379 198 H THR 26 H THR 26 1.508 1.078 3.418 199 HA THR 26 HA THR 26 2.397 3.121 5.417 200 HB THR 26 HB THR 26 3.450 0.349 4.797 201 HG1 THR 26 HG1 THR 26 2.932 1.345 7.344 202 1HG2 THR 26 1HG2 THR 26 4.738 2.679 6.187 203 2HG2 THR 26 2HG2 THR 26 5.084 1.037 6.727 204 3HG2 THR 26 3HG2 THR 26 5.454 1.516 5.072 205 H GLY 27 H GLY 27 3.899 4.576 4.751 206 1HA GLY 27 1HA GLY 27 5.536 3.975 2.346 207 2HA GLY 27 2HA GLY 27 4.538 5.430 2.323 208 H SER 28 H SER 28 5.399 7.262 3.211 209 HA SER 28 HA SER 28 7.467 7.043 5.308 210 1HB SER 28 1HB SER 28 8.805 6.933 3.269 211 2HB SER 28 2HB SER 28 7.981 8.348 2.617 212 HG SER 28 HG SER 28 10.118 8.272 4.164 213 H GLU 29 H GLU 29 7.916 9.179 6.287 214 HA GLU 29 HA GLU 29 7.084 11.152 7.255 215 1HB GLU 29 1HB GLU 29 6.372 11.590 4.339 216 2HB GLU 29 2HB GLU 29 6.291 12.844 5.577 217 1HG GLU 29 1HG GLU 29 8.663 12.680 6.000 218 2HG GLU 29 2HG GLU 29 8.800 11.263 4.958 219 H GLY 30 H GLY 30 5.332 8.957 7.521 220 1HA GLY 30 1HA GLY 30 3.018 9.847 8.540 221 2HA GLY 30 2HA GLY 30 2.640 9.965 6.821 222 H GLU 31 H GLU 31 0.947 8.333 7.718 223 HA GLU 31 HA GLU 31 1.518 5.751 6.668 224 1HB GLU 31 1HB GLU 31 1.682 4.400 8.679 225 2HB GLU 31 2HB GLU 31 2.951 5.623 8.729 226 1HG GLU 31 1HG GLU 31 0.698 6.834 9.908 227 2HG GLU 31 2HG GLU 31 0.755 5.202 10.571 228 H LEU 32 H LEU 32 -0.196 4.263 8.474 229 HA LEU 32 HA LEU 32 -2.488 3.861 8.802 230 1HB LEU 32 1HB LEU 32 -2.301 6.841 9.152 231 2HB LEU 32 2HB LEU 32 -3.897 6.071 9.081 232 HG LEU 32 HG LEU 32 -1.716 5.052 10.919 233 1HD1 LEU 32 1HD1 LEU 32 -2.811 7.601 11.096 234 2HD1 LEU 32 2HD1 LEU 32 -3.822 6.644 12.179 235 3HD1 LEU 32 3HD1 LEU 32 -2.076 6.701 12.423 236 1HD2 LEU 32 1HD2 LEU 32 -3.997 3.867 10.217 237 2HD2 LEU 32 2HD2 LEU 32 -3.405 3.786 11.876 238 3HD2 LEU 32 3HD2 LEU 32 -4.662 4.946 11.444 239 H GLY 33 H GLY 33 -4.006 3.310 7.306 240 1HA GLY 33 1HA GLY 33 -3.978 4.823 4.760 241 2HA GLY 33 2HA GLY 33 -4.607 3.205 4.940 242 H ILE 34 H ILE 34 -6.639 2.942 6.123 243 HA ILE 34 HA ILE 34 -8.097 5.269 6.978 244 HB ILE 34 HB ILE 34 -8.524 4.243 4.217 245 1HG1 ILE 34 1HG1 ILE 34 -7.746 6.499 4.500 246 2HG1 ILE 34 2HG1 ILE 34 -9.437 6.613 4.020 247 1HG2 ILE 34 1HG2 ILE 34 -10.590 3.491 5.487 248 2HG2 ILE 34 2HG2 ILE 34 -10.885 5.184 5.873 249 3HG2 ILE 34 3HG2 ILE 34 -10.905 4.644 4.195 250 1HD1 ILE 34 1HD1 ILE 34 -9.867 6.523 6.621 251 2HD1 ILE 34 2HD1 ILE 34 -8.195 7.108 6.708 252 3HD1 ILE 34 3HD1 ILE 34 -9.423 8.050 5.847 253 H TYR 35 H TYR 35 -10.255 4.704 7.772 254 HA TYR 35 HA TYR 35 -10.845 1.844 8.137 255 1HB TYR 35 1HB TYR 35 -10.966 2.803 10.767 256 2HB TYR 35 2HB TYR 35 -9.752 1.702 10.120 257 HD1 TYR 35 HD1 TYR 35 -7.638 2.691 9.075 258 HD2 TYR 35 HD2 TYR 35 -10.396 5.021 11.404 259 HE1 TYR 35 HE1 TYR 35 -5.906 4.439 9.365 260 HE2 TYR 35 HE2 TYR 35 -8.660 6.768 11.704 261 HH TYR 35 HH TYR 35 -6.512 7.483 10.274 262 HA PRO 36 HA PRO 36 -14.932 3.380 8.578 263 1HB PRO 36 1HB PRO 36 -15.984 1.828 10.590 264 2HB PRO 36 2HB PRO 36 -15.672 1.232 8.951 265 1HG PRO 36 1HG PRO 36 -14.134 0.725 11.459 266 2HG PRO 36 2HG PRO 36 -14.293 -0.291 10.016 267 1HD PRO 36 1HD PRO 36 -12.067 1.323 10.645 268 2HD PRO 36 2HD PRO 36 -12.414 0.617 9.052 269 H GLY 37 H GLY 37 -14.573 5.521 9.378 270 1HA GLY 37 1HA GLY 37 -15.794 6.633 11.437 271 2HA GLY 37 2HA GLY 37 -14.476 5.870 12.327 272 H HIS 38 H HIS 38 -12.916 6.430 9.633 273 HA HIS 38 HA HIS 38 -11.466 8.691 10.580 274 1HB HIS 38 1HB HIS 38 -10.876 6.877 8.759 275 2HB HIS 38 2HB HIS 38 -11.588 8.049 7.649 276 HD1 HIS 38 HD1 HIS 38 -9.911 9.630 6.727 277 HD2 HIS 38 HD2 HIS 38 -8.870 8.386 10.567 278 HE1 HIS 38 HE1 HIS 38 -7.711 10.757 7.273 279 H ALA 39 H ALA 39 -11.220 10.649 8.836 280 HA ALA 39 HA ALA 39 -13.973 11.780 8.622 281 1HB ALA 39 1HB ALA 39 -11.595 12.830 9.685 282 2HB ALA 39 2HB ALA 39 -11.823 13.676 8.156 283 3HB ALA 39 3HB ALA 39 -13.090 13.713 9.379 284 HA PRO 40 HA PRO 40 -13.695 12.023 4.251 285 1HB PRO 40 1HB PRO 40 -14.930 14.430 3.764 286 2HB PRO 40 2HB PRO 40 -15.797 12.970 4.270 287 1HG PRO 40 1HG PRO 40 -15.136 15.403 5.860 288 2HG PRO 40 2HG PRO 40 -16.459 14.245 6.079 289 1HD PRO 40 1HD PRO 40 -14.060 14.342 7.588 290 2HD PRO 40 2HD PRO 40 -15.245 13.017 7.586 291 H LEU 41 H LEU 41 -11.243 12.339 4.426 292 HA LEU 41 HA LEU 41 -10.388 15.140 3.896 293 1HB LEU 41 1HB LEU 41 -8.590 12.732 4.249 294 2HB LEU 41 2HB LEU 41 -8.173 14.436 4.434 295 HG LEU 41 HG LEU 41 -10.070 12.870 6.207 296 1HD1 LEU 41 1HD1 LEU 41 -7.528 12.500 6.397 297 2HD1 LEU 41 2HD1 LEU 41 -7.450 14.167 6.966 298 3HD1 LEU 41 3HD1 LEU 41 -8.378 12.970 7.869 299 1HD2 LEU 41 1HD2 LEU 41 -9.903 15.661 5.659 300 2HD2 LEU 41 2HD2 LEU 41 -10.869 14.860 6.898 301 3HD2 LEU 41 3HD2 LEU 41 -9.232 15.403 7.270 302 H LEU 42 H LEU 42 -9.011 15.567 2.032 303 HA LEU 42 HA LEU 42 -9.282 13.521 -0.135 304 1HB LEU 42 1HB LEU 42 -10.877 15.347 -0.531 305 2HB LEU 42 2HB LEU 42 -9.578 16.532 -0.381 306 HG LEU 42 HG LEU 42 -8.737 14.581 -2.279 307 1HD1 LEU 42 1HD1 LEU 42 -11.537 15.658 -2.730 308 2HD1 LEU 42 2HD1 LEU 42 -10.541 14.932 -3.992 309 3HD1 LEU 42 3HD1 LEU 42 -11.063 13.962 -2.614 310 1HD2 LEU 42 1HD2 LEU 42 -8.226 17.084 -2.047 311 2HD2 LEU 42 2HD2 LEU 42 -8.492 16.495 -3.688 312 3HD2 LEU 42 3HD2 LEU 42 -9.772 17.368 -2.845 313 H THR 43 H THR 43 -7.156 12.790 -0.117 314 HA THR 43 HA THR 43 -5.095 14.828 -0.821 315 HB THR 43 HB THR 43 -3.466 13.634 0.630 316 HG1 THR 43 HG1 THR 43 -5.757 12.283 1.606 317 1HG2 THR 43 1HG2 THR 43 -5.976 14.785 1.836 318 2HG2 THR 43 2HG2 THR 43 -4.627 14.272 2.850 319 3HG2 THR 43 3HG2 THR 43 -4.397 15.546 1.653 320 H ALA 44 H ALA 44 -2.941 13.159 -1.190 321 HA ALA 44 HA ALA 44 -3.908 11.449 -3.431 322 1HB ALA 44 1HB ALA 44 -2.108 13.337 -3.668 323 2HB ALA 44 2HB ALA 44 -1.021 12.149 -2.948 324 3HB ALA 44 3HB ALA 44 -1.835 11.791 -4.470 325 H ILE 45 H ILE 45 -1.905 9.649 -3.736 326 HA ILE 45 HA ILE 45 -1.974 8.139 -1.155 327 HB ILE 45 HB ILE 45 -1.889 7.211 -4.035 328 1HG1 ILE 45 1HG1 ILE 45 -3.937 5.965 -3.260 329 2HG1 ILE 45 2HG1 ILE 45 -3.814 6.826 -1.724 330 1HG2 ILE 45 1HG2 ILE 45 -1.165 5.803 -1.491 331 2HG2 ILE 45 2HG2 ILE 45 -2.015 4.898 -2.743 332 3HG2 ILE 45 3HG2 ILE 45 -0.457 5.644 -3.098 333 1HD1 ILE 45 1HD1 ILE 45 -3.702 8.508 -4.164 334 2HD1 ILE 45 2HD1 ILE 45 -5.258 7.753 -3.817 335 3HD1 ILE 45 3HD1 ILE 45 -4.504 8.811 -2.623 336 H LYS 46 H LYS 46 -0.035 8.141 -0.139 337 HA LYS 46 HA LYS 46 2.417 8.963 -1.373 338 1HB LYS 46 1HB LYS 46 1.549 7.975 1.244 339 2HB LYS 46 2HB LYS 46 3.166 7.417 0.813 340 1HG LYS 46 1HG LYS 46 3.876 9.442 1.538 341 2HG LYS 46 2HG LYS 46 3.215 10.065 0.026 342 1HD LYS 46 1HD LYS 46 1.529 11.127 1.090 343 2HD LYS 46 2HD LYS 46 1.152 9.703 2.061 344 1HE LYS 46 1HE LYS 46 2.750 10.263 3.715 345 2HE LYS 46 2HE LYS 46 3.568 11.409 2.654 346 1HZ LYS 46 1HZ LYS 46 0.864 12.140 2.908 347 2HZ LYS 46 2HZ LYS 46 1.516 11.924 4.459 348 3HZ LYS 46 3HZ LYS 46 2.247 13.010 3.376 349 HA PRO 47 HA PRO 47 3.883 5.240 -3.172 350 1HB PRO 47 1HB PRO 47 6.579 5.423 -2.661 351 2HB PRO 47 2HB PRO 47 5.740 6.421 -3.861 352 1HG PRO 47 1HG PRO 47 6.760 7.189 -1.168 353 2HG PRO 47 2HG PRO 47 6.495 8.201 -2.598 354 1HD PRO 47 1HD PRO 47 4.790 8.030 -0.338 355 2HD PRO 47 2HD PRO 47 4.395 8.792 -1.894 356 H GLY 48 H GLY 48 3.564 3.206 -2.331 357 1HA GLY 48 1HA GLY 48 5.266 1.840 -0.606 358 2HA GLY 48 2HA GLY 48 4.088 2.605 0.460 359 H MET 49 H MET 49 3.314 0.460 1.031 360 HA MET 49 HA MET 49 1.633 -0.775 -1.122 361 1HB MET 49 1HB MET 49 1.834 -2.841 0.498 362 2HB MET 49 2HB MET 49 3.151 -2.474 -0.616 363 1HG MET 49 1HG MET 49 4.106 -2.871 1.578 364 2HG MET 49 2HG MET 49 4.247 -1.151 1.216 365 1HE MET 49 1HE MET 49 2.472 -3.939 2.643 366 2HE MET 49 2HE MET 49 1.854 -3.427 4.221 367 3HE MET 49 3HE MET 49 0.874 -3.206 2.773 368 H ILE 50 H ILE 50 -0.251 -2.104 0.011 369 HA ILE 50 HA ILE 50 -1.201 -0.823 2.487 370 HB ILE 50 HB ILE 50 -1.887 0.672 0.576 371 1HG1 ILE 50 1HG1 ILE 50 -3.919 -0.769 2.289 372 2HG1 ILE 50 2HG1 ILE 50 -3.224 0.834 2.533 373 1HG2 ILE 50 1HG2 ILE 50 -2.374 -1.706 -0.716 374 2HG2 ILE 50 2HG2 ILE 50 -4.002 -1.218 -0.238 375 3HG2 ILE 50 3HG2 ILE 50 -3.012 -0.143 -1.226 376 1HD1 ILE 50 1HD1 ILE 50 -4.400 0.945 -0.005 377 2HD1 ILE 50 2HD1 ILE 50 -5.561 0.066 0.990 378 3HD1 ILE 50 3HD1 ILE 50 -5.026 1.675 1.474 379 H ARG 51 H ARG 51 -2.345 -2.293 3.659 380 HA ARG 51 HA ARG 51 -3.164 -4.818 2.312 381 1HB ARG 51 1HB ARG 51 -3.511 -5.554 4.761 382 2HB ARG 51 2HB ARG 51 -1.844 -5.290 4.244 383 1HG ARG 51 1HG ARG 51 -3.157 -2.857 5.242 384 2HG ARG 51 2HG ARG 51 -3.014 -4.129 6.457 385 1HD ARG 51 1HD ARG 51 -0.589 -3.810 4.840 386 2HD ARG 51 2HD ARG 51 -1.004 -2.362 5.757 387 HE ARG 51 HE ARG 51 -0.907 -4.987 7.163 388 1HH1 ARG 51 1HH1 ARG 51 1.337 -2.756 6.223 389 2HH1 ARG 51 2HH1 ARG 51 1.818 -2.270 7.815 390 1HH2 ARG 51 1HH2 ARG 51 -0.773 -3.945 9.397 391 2HH2 ARG 51 2HH2 ARG 51 0.623 -2.941 9.611 392 H ILE 52 H ILE 52 -5.387 -5.559 2.613 393 HA ILE 52 HA ILE 52 -7.225 -3.537 3.769 394 HB ILE 52 HB ILE 52 -6.694 -3.638 1.082 395 1HG1 ILE 52 1HG1 ILE 52 -9.232 -2.760 2.461 396 2HG1 ILE 52 2HG1 ILE 52 -7.769 -1.802 2.219 397 1HG2 ILE 52 1HG2 ILE 52 -7.994 -5.889 1.137 398 2HG2 ILE 52 2HG2 ILE 52 -9.426 -4.880 1.349 399 3HG2 ILE 52 3HG2 ILE 52 -8.430 -4.708 -0.097 400 1HD1 ILE 52 1HD1 ILE 52 -8.590 -2.936 -0.290 401 2HD1 ILE 52 2HD1 ILE 52 -9.951 -2.081 0.437 402 3HD1 ILE 52 3HD1 ILE 52 -8.430 -1.234 0.148 403 H VAL 53 H VAL 53 -9.129 -4.400 4.605 404 HA VAL 53 HA VAL 53 -9.505 -7.348 4.327 405 HB VAL 53 HB VAL 53 -9.603 -5.624 6.812 406 1HG1 VAL 53 1HG1 VAL 53 -11.233 -7.932 6.108 407 2HG1 VAL 53 2HG1 VAL 53 -10.249 -8.242 7.538 408 3HG1 VAL 53 3HG1 VAL 53 -11.352 -6.866 7.507 409 1HG2 VAL 53 1HG2 VAL 53 -7.830 -7.664 5.685 410 2HG2 VAL 53 2HG2 VAL 53 -7.526 -6.512 6.985 411 3HG2 VAL 53 3HG2 VAL 53 -8.335 -8.041 7.333 412 H LYS 54 H LYS 54 -11.309 -7.370 3.019 413 HA LYS 54 HA LYS 54 -13.366 -5.382 3.033 414 1HB LYS 54 1HB LYS 54 -12.786 -7.293 1.298 415 2HB LYS 54 2HB LYS 54 -13.959 -8.213 2.242 416 1HG LYS 54 1HG LYS 54 -15.009 -5.582 1.772 417 2HG LYS 54 2HG LYS 54 -14.490 -6.274 0.235 418 1HD LYS 54 1HD LYS 54 -15.724 -8.412 1.005 419 2HD LYS 54 2HD LYS 54 -16.497 -7.371 2.201 420 1HE LYS 54 1HE LYS 54 -17.962 -6.717 0.624 421 2HE LYS 54 2HE LYS 54 -16.626 -5.983 -0.263 422 1HZ LYS 54 1HZ LYS 54 -17.045 -8.878 -0.476 423 2HZ LYS 54 2HZ LYS 54 -18.074 -7.845 -1.342 424 3HZ LYS 54 3HZ LYS 54 -16.398 -7.792 -1.612 425 H GLN 55 H GLN 55 -15.216 -5.203 4.253 426 HA GLN 55 HA GLN 55 -16.551 -5.528 6.166 427 1HB GLN 55 1HB GLN 55 -16.474 -8.173 4.740 428 2HB GLN 55 2HB GLN 55 -17.342 -8.031 6.269 429 1HG GLN 55 1HG GLN 55 -17.980 -5.780 4.581 430 2HG GLN 55 2HG GLN 55 -18.265 -7.283 3.702 431 1HE2 GLN 55 2HE2 GLN 55 -20.597 -7.176 3.873 432 2HE2 GLN 55 1HE2 GLN 55 -21.400 -7.361 5.357 433 H HIS 56 H HIS 56 -15.532 -8.820 6.609 434 HA HIS 56 HA HIS 56 -13.384 -8.162 8.481 435 1HB HIS 56 1HB HIS 56 -16.028 -8.146 9.451 436 2HB HIS 56 2HB HIS 56 -15.344 -9.685 9.972 437 HD1 HIS 56 HD1 HIS 56 -15.813 -6.676 11.478 438 HD2 HIS 56 HD2 HIS 56 -12.295 -8.771 10.697 439 HE1 HIS 56 HE1 HIS 56 -14.077 -5.789 13.095 440 H GLY 57 H GLY 57 -14.153 -9.966 6.119 441 1HA GLY 57 1HA GLY 57 -13.020 -12.447 7.315 442 2HA GLY 57 2HA GLY 57 -14.440 -12.563 6.273 443 H HIS 58 H HIS 58 -14.101 -11.285 4.101 444 HA HIS 58 HA HIS 58 -11.857 -12.503 2.752 445 1HB HIS 58 1HB HIS 58 -13.844 -10.383 1.888 446 2HB HIS 58 2HB HIS 58 -12.636 -11.085 0.811 447 HD1 HIS 58 HD1 HIS 58 -13.328 -13.172 -0.368 448 HD2 HIS 58 HD2 HIS 58 -15.595 -12.529 3.070 449 HE1 HIS 58 HE1 HIS 58 -15.080 -15.000 -0.312 450 H GLU 59 H GLU 59 -9.921 -11.557 2.085 451 HA GLU 59 HA GLU 59 -9.479 -8.688 2.732 452 1HB GLU 59 1HB GLU 59 -7.197 -9.401 3.682 453 2HB GLU 59 2HB GLU 59 -8.606 -9.705 4.699 454 1HG GLU 59 1HG GLU 59 -8.624 -12.028 3.427 455 2HG GLU 59 2HG GLU 59 -6.920 -11.652 3.167 456 H GLU 60 H GLU 60 -8.341 -7.694 1.119 457 HA GLU 60 HA GLU 60 -6.908 -9.460 -0.828 458 1HB GLU 60 1HB GLU 60 -9.092 -7.723 -1.277 459 2HB GLU 60 2HB GLU 60 -7.681 -6.921 -1.966 460 1HG GLU 60 1HG GLU 60 -7.122 -8.966 -3.224 461 2HG GLU 60 2HG GLU 60 -8.529 -9.776 -2.534 462 H PHE 61 H PHE 61 -4.988 -8.542 -1.787 463 HA PHE 61 HA PHE 61 -3.693 -6.515 -0.030 464 1HB PHE 61 1HB PHE 61 -2.709 -8.726 -1.795 465 2HB PHE 61 2HB PHE 61 -1.659 -7.333 -1.541 466 HD1 PHE 61 HD1 PHE 61 -3.593 -9.984 0.221 467 HD2 PHE 61 HD2 PHE 61 -0.489 -7.027 0.505 468 HE1 PHE 61 HE1 PHE 61 -2.934 -10.889 2.433 469 HE2 PHE 61 HE2 PHE 61 0.173 -7.937 2.716 470 HZ PHE 61 HZ PHE 61 -1.053 -9.865 3.682 471 H ILE 62 H ILE 62 -2.503 -4.750 -1.053 472 HA ILE 62 HA ILE 62 -2.925 -4.279 -3.923 473 HB ILE 62 HB ILE 62 -4.156 -2.466 -1.826 474 1HG1 ILE 62 1HG1 ILE 62 -5.352 -4.128 -4.067 475 2HG1 ILE 62 2HG1 ILE 62 -5.525 -4.437 -2.338 476 1HG2 ILE 62 1HG2 ILE 62 -3.717 -2.158 -4.802 477 2HG2 ILE 62 2HG2 ILE 62 -4.954 -1.245 -3.936 478 3HG2 ILE 62 3HG2 ILE 62 -3.253 -1.046 -3.512 479 1HD1 ILE 62 1HD1 ILE 62 -6.259 -1.705 -2.935 480 2HD1 ILE 62 2HD1 ILE 62 -7.182 -2.816 -3.947 481 3HD1 ILE 62 3HD1 ILE 62 -7.230 -2.974 -2.192 482 H TYR 63 H TYR 63 -1.724 -2.329 -4.642 483 HA TYR 63 HA TYR 63 0.037 -0.976 -2.765 484 1HB TYR 63 1HB TYR 63 1.587 -2.657 -2.747 485 2HB TYR 63 2HB TYR 63 0.948 -3.395 -4.210 486 HD1 TYR 63 HD1 TYR 63 1.455 -2.246 -6.450 487 HD2 TYR 63 HD2 TYR 63 3.555 -1.343 -2.817 488 HE1 TYR 63 HE1 TYR 63 3.304 -1.265 -7.771 489 HE2 TYR 63 HE2 TYR 63 5.410 -0.356 -4.136 490 HH TYR 63 HH TYR 63 5.481 0.757 -6.656 491 H LEU 64 H LEU 64 1.195 0.758 -3.818 492 HA LEU 64 HA LEU 64 1.278 1.178 -6.629 493 1HB LEU 64 1HB LEU 64 -0.551 2.722 -6.988 494 2HB LEU 64 2HB LEU 64 -1.222 1.240 -6.309 495 HG LEU 64 HG LEU 64 -0.434 3.586 -4.574 496 1HD1 LEU 64 1HD1 LEU 64 -2.495 3.583 -6.487 497 2HD1 LEU 64 2HD1 LEU 64 -3.292 3.256 -4.949 498 3HD1 LEU 64 3HD1 LEU 64 -2.306 4.706 -5.141 499 1HD2 LEU 64 1HD2 LEU 64 -2.102 1.085 -4.239 500 2HD2 LEU 64 2HD2 LEU 64 -0.695 1.589 -3.302 501 3HD2 LEU 64 3HD2 LEU 64 -2.226 2.445 -3.122 502 H SER 65 H SER 65 1.924 3.459 -7.136 503 HA SER 65 HA SER 65 2.730 5.046 -4.759 504 1HB SER 65 1HB SER 65 4.547 3.636 -6.632 505 2HB SER 65 2HB SER 65 4.976 5.305 -6.261 506 HG SER 65 HG SER 65 4.525 3.166 -4.447 507 H GLY 66 H GLY 66 0.703 5.482 -6.787 508 1HA GLY 66 1HA GLY 66 1.294 8.195 -7.485 509 2HA GLY 66 2HA GLY 66 1.513 7.172 -8.906 510 H GLY 67 H GLY 67 -0.742 8.976 -7.227 511 1HA GLY 67 1HA GLY 67 -2.895 8.671 -8.896 512 2HA GLY 67 2HA GLY 67 -3.081 7.310 -7.790 513 H ILE 68 H ILE 68 -5.134 8.846 -7.512 514 HA ILE 68 HA ILE 68 -4.551 10.557 -5.131 515 HB ILE 68 HB ILE 68 -6.790 11.168 -7.057 516 1HG1 ILE 68 1HG1 ILE 68 -5.001 13.011 -7.777 517 2HG1 ILE 68 2HG1 ILE 68 -3.865 11.743 -7.318 518 1HG2 ILE 68 1HG2 ILE 68 -6.384 12.122 -4.614 519 2HG2 ILE 68 2HG2 ILE 68 -5.231 13.160 -5.454 520 3HG2 ILE 68 3HG2 ILE 68 -6.935 13.180 -5.914 521 1HD1 ILE 68 1HD1 ILE 68 -6.200 11.055 -9.074 522 2HD1 ILE 68 2HD1 ILE 68 -4.788 11.838 -9.782 523 3HD1 ILE 68 3HD1 ILE 68 -4.618 10.281 -8.972 524 H LEU 69 H LEU 69 -5.869 10.129 -3.385 525 HA LEU 69 HA LEU 69 -8.167 8.278 -3.866 526 1HB LEU 69 1HB LEU 69 -6.565 6.979 -2.710 527 2HB LEU 69 2HB LEU 69 -6.085 8.328 -1.681 528 HG LEU 69 HG LEU 69 -8.920 7.352 -1.575 529 1HD1 LEU 69 1HD1 LEU 69 -6.643 5.705 -1.041 530 2HD1 LEU 69 2HD1 LEU 69 -7.394 6.116 0.500 531 3HD1 LEU 69 3HD1 LEU 69 -8.345 5.335 -0.763 532 1HD2 LEU 69 1HD2 LEU 69 -7.243 9.214 -0.191 533 2HD2 LEU 69 2HD2 LEU 69 -8.948 8.868 0.091 534 3HD2 LEU 69 3HD2 LEU 69 -7.709 7.948 0.945 535 H GLU 70 H GLU 70 -10.069 8.718 -2.714 536 HA GLU 70 HA GLU 70 -10.069 11.126 -0.956 537 1HB GLU 70 1HB GLU 70 -10.850 11.997 -3.049 538 2HB GLU 70 2HB GLU 70 -11.871 10.587 -3.331 539 1HG GLU 70 1HG GLU 70 -13.386 11.208 -1.602 540 2HG GLU 70 2HG GLU 70 -12.266 12.404 -0.949 541 H VAL 71 H VAL 71 -11.185 10.717 0.913 542 HA VAL 71 HA VAL 71 -12.748 8.191 1.025 543 HB VAL 71 HB VAL 71 -10.845 8.755 2.674 544 1HG1 VAL 71 1HG1 VAL 71 -11.969 11.126 2.980 545 2HG1 VAL 71 2HG1 VAL 71 -12.955 10.276 4.169 546 3HG1 VAL 71 3HG1 VAL 71 -11.202 10.328 4.352 547 1HG2 VAL 71 1HG2 VAL 71 -13.618 8.039 3.678 548 2HG2 VAL 71 2HG2 VAL 71 -12.419 6.916 3.036 549 3HG2 VAL 71 3HG2 VAL 71 -12.120 7.747 4.562 550 H GLN 72 H GLN 72 -14.930 8.309 1.006 551 HA GLN 72 HA GLN 72 -16.198 10.946 1.556 552 1HB GLN 72 1HB GLN 72 -16.707 8.798 -0.323 553 2HB GLN 72 2HB GLN 72 -18.148 9.134 0.639 554 1HG GLN 72 1HG GLN 72 -18.527 10.940 -0.648 555 2HG GLN 72 2HG GLN 72 -17.040 11.651 -0.019 556 1HE2 GLN 72 2HE2 GLN 72 -17.979 12.011 -2.762 557 2HE2 GLN 72 1HE2 GLN 72 -16.829 11.297 -3.784 558 HA PRO 73 HA PRO 73 -18.225 9.479 5.159 559 1HB PRO 73 1HB PRO 73 -20.794 10.402 4.836 560 2HB PRO 73 2HB PRO 73 -19.416 11.448 5.219 561 1HG PRO 73 1HG PRO 73 -20.867 11.127 2.633 562 2HG PRO 73 2HG PRO 73 -19.956 12.518 3.244 563 1HD PRO 73 1HD PRO 73 -19.038 10.642 1.331 564 2HD PRO 73 2HD PRO 73 -18.041 11.839 2.186 565 H GLY 74 H GLY 74 -18.019 7.162 4.137 566 1HA GLY 74 1HA GLY 74 -19.649 5.272 4.721 567 2HA GLY 74 2HA GLY 74 -20.754 6.073 3.605 568 H ASN 75 H ASN 75 -18.088 6.690 2.018 569 HA ASN 75 HA ASN 75 -17.620 3.974 0.920 570 1HB ASN 75 1HB ASN 75 -18.569 6.313 -0.764 571 2HB ASN 75 2HB ASN 75 -18.066 4.740 -1.385 572 1HD2 ASN 75 2HD2 ASN 75 -20.818 6.419 -0.789 573 2HD2 ASN 75 1HD2 ASN 75 -21.861 5.152 -0.356 574 H VAL 76 H VAL 76 -16.020 4.425 -1.147 575 HA VAL 76 HA VAL 76 -14.152 6.621 -0.662 576 HB VAL 76 HB VAL 76 -13.527 3.766 0.091 577 1HG1 VAL 76 1HG1 VAL 76 -11.542 5.942 -0.631 578 2HG1 VAL 76 2HG1 VAL 76 -11.131 4.385 0.089 579 3HG1 VAL 76 3HG1 VAL 76 -11.817 4.453 -1.534 580 1HG2 VAL 76 1HG2 VAL 76 -13.543 6.454 1.371 581 2HG2 VAL 76 2HG2 VAL 76 -13.941 4.879 2.059 582 3HG2 VAL 76 3HG2 VAL 76 -12.254 5.355 1.863 583 H THR 77 H THR 77 -12.315 6.477 -2.297 584 HA THR 77 HA THR 77 -12.505 4.596 -4.485 585 HB THR 77 HB THR 77 -13.114 7.212 -5.636 586 HG1 THR 77 HG1 THR 77 -15.074 7.493 -4.808 587 1HG2 THR 77 1HG2 THR 77 -13.395 4.479 -6.236 588 2HG2 THR 77 2HG2 THR 77 -15.040 5.102 -6.105 589 3HG2 THR 77 3HG2 THR 77 -13.905 5.841 -7.235 590 H VAL 78 H VAL 78 -10.634 4.704 -5.723 591 HA VAL 78 HA VAL 78 -9.003 7.156 -5.707 592 HB VAL 78 HB VAL 78 -8.151 6.234 -3.685 593 1HG1 VAL 78 1HG1 VAL 78 -8.575 3.644 -5.119 594 2HG1 VAL 78 2HG1 VAL 78 -7.300 3.717 -3.904 595 3HG1 VAL 78 3HG1 VAL 78 -8.966 4.081 -3.456 596 1HG2 VAL 78 1HG2 VAL 78 -6.461 6.790 -5.537 597 2HG2 VAL 78 2HG2 VAL 78 -5.876 5.764 -4.227 598 3HG2 VAL 78 3HG2 VAL 78 -6.315 5.049 -5.779 599 H LEU 79 H LEU 79 -7.696 7.256 -7.530 600 HA LEU 79 HA LEU 79 -7.747 4.844 -9.300 601 1HB LEU 79 1HB LEU 79 -7.362 7.650 -10.320 602 2HB LEU 79 2HB LEU 79 -7.965 6.232 -11.179 603 HG LEU 79 HG LEU 79 -9.437 7.550 -8.883 604 1HD1 LEU 79 1HD1 LEU 79 -9.078 8.898 -11.102 605 2HD1 LEU 79 2HD1 LEU 79 -10.242 7.756 -11.773 606 3HD1 LEU 79 3HD1 LEU 79 -10.700 8.788 -10.418 607 1HD2 LEU 79 1HD2 LEU 79 -9.709 5.035 -10.020 608 2HD2 LEU 79 2HD2 LEU 79 -10.966 5.892 -9.128 609 3HD2 LEU 79 3HD2 LEU 79 -10.909 5.992 -10.887 610 H ALA 80 H ALA 80 -5.806 4.379 -10.465 611 HA ALA 80 HA ALA 80 -3.417 6.020 -9.953 612 1HB ALA 80 1HB ALA 80 -3.867 3.310 -8.726 613 2HB ALA 80 2HB ALA 80 -2.235 3.816 -9.164 614 3HB ALA 80 3HB ALA 80 -3.167 4.755 -7.997 615 H ASP 81 H ASP 81 -1.447 4.778 -11.020 616 HA ASP 81 HA ASP 81 -2.471 3.586 -13.565 617 1HB ASP 81 1HB ASP 81 -0.703 5.775 -13.088 618 2HB ASP 81 2HB ASP 81 0.238 4.474 -13.818 619 H THR 82 H THR 82 0.069 3.393 -11.089 620 HA THR 82 HA THR 82 0.791 0.700 -12.152 621 HB THR 82 HB THR 82 2.315 2.586 -10.329 622 HG1 THR 82 HG1 THR 82 3.760 2.234 -12.304 623 1HG2 THR 82 1HG2 THR 82 2.566 0.064 -9.932 624 2HG2 THR 82 2HG2 THR 82 3.313 0.005 -11.529 625 3HG2 THR 82 3HG2 THR 82 4.045 0.971 -10.247 626 H ALA 83 H ALA 83 0.460 -1.084 -10.833 627 HA ALA 83 HA ALA 83 0.022 -0.749 -7.951 628 1HB ALA 83 1HB ALA 83 -2.195 -0.403 -9.508 629 2HB ALA 83 2HB ALA 83 -2.254 -2.143 -9.221 630 3HB ALA 83 3HB ALA 83 -2.237 -1.024 -7.857 631 H ILE 84 H ILE 84 -0.324 -2.887 -6.894 632 HA ILE 84 HA ILE 84 0.420 -5.230 -8.553 633 HB ILE 84 HB ILE 84 1.965 -4.139 -6.196 634 1HG1 ILE 84 1HG1 ILE 84 2.885 -5.229 -8.871 635 2HG1 ILE 84 2HG1 ILE 84 2.566 -3.520 -8.572 636 1HG2 ILE 84 1HG2 ILE 84 1.696 -6.960 -7.186 637 2HG2 ILE 84 2HG2 ILE 84 3.239 -6.409 -6.532 638 3HG2 ILE 84 3HG2 ILE 84 1.790 -6.367 -5.528 639 1HD1 ILE 84 1HD1 ILE 84 4.226 -4.533 -6.460 640 2HD1 ILE 84 2HD1 ILE 84 4.948 -4.965 -8.009 641 3HD1 ILE 84 3HD1 ILE 84 4.598 -3.277 -7.641 642 H ARG 85 H ARG 85 -1.145 -6.710 -8.070 643 HA ARG 85 HA ARG 85 -2.380 -6.615 -5.361 644 1HB ARG 85 1HB ARG 85 -4.003 -8.302 -6.572 645 2HB ARG 85 2HB ARG 85 -4.134 -6.575 -6.898 646 1HG ARG 85 1HG ARG 85 -2.791 -6.812 -8.921 647 2HG ARG 85 2HG ARG 85 -2.523 -8.522 -8.575 648 1HD ARG 85 1HD ARG 85 -5.251 -7.274 -9.022 649 2HD ARG 85 2HD ARG 85 -4.337 -8.142 -10.256 650 HE ARG 85 HE ARG 85 -5.105 -9.494 -7.705 651 1HH1 ARG 85 1HH1 ARG 85 -6.341 -9.020 -10.752 652 2HH1 ARG 85 2HH1 ARG 85 -6.389 -10.691 -11.205 653 1HH2 ARG 85 1HH2 ARG 85 -4.583 -11.762 -8.444 654 2HH2 ARG 85 2HH2 ARG 85 -5.396 -12.244 -9.895 655 H GLY 86 H GLY 86 -1.330 -7.942 -3.960 656 1HA GLY 86 1HA GLY 86 -0.657 -10.016 -3.047 657 2HA GLY 86 2HA GLY 86 -1.146 -10.793 -4.553 658 H GLN 87 H GLN 87 0.768 -11.998 -4.811 659 HA GLN 87 HA GLN 87 3.276 -10.410 -5.148 660 1HB GLN 87 1HB GLN 87 3.806 -13.217 -5.264 661 2HB GLN 87 2HB GLN 87 4.307 -12.072 -4.024 662 1HG GLN 87 1HG GLN 87 2.222 -12.417 -2.803 663 2HG GLN 87 2HG GLN 87 1.615 -13.469 -4.080 664 1HE2 GLN 87 2HE2 GLN 87 1.565 -15.478 -2.980 665 2HE2 GLN 87 1HE2 GLN 87 2.935 -16.204 -2.289 666 H ASP 88 H ASP 88 1.166 -10.525 -7.139 667 HA ASP 88 HA ASP 88 1.403 -12.370 -9.187 668 1HB ASP 88 1HB ASP 88 0.090 -10.065 -9.003 669 2HB ASP 88 2HB ASP 88 1.447 -9.483 -9.968 670 H LEU 89 H LEU 89 3.754 -9.932 -8.248 671 HA LEU 89 HA LEU 89 5.538 -10.957 -10.421 672 1HB LEU 89 1HB LEU 89 4.813 -8.247 -9.674 673 2HB LEU 89 2HB LEU 89 6.557 -8.487 -9.561 674 HG LEU 89 HG LEU 89 5.273 -9.658 -11.957 675 1HD1 LEU 89 1HD1 LEU 89 5.480 -6.662 -11.531 676 2HD1 LEU 89 2HD1 LEU 89 5.228 -7.429 -13.098 677 3HD1 LEU 89 3HD1 LEU 89 4.007 -7.582 -11.835 678 1HD2 LEU 89 1HD2 LEU 89 7.813 -8.335 -11.128 679 2HD2 LEU 89 2HD2 LEU 89 7.567 -9.779 -12.112 680 3HD2 LEU 89 3HD2 LEU 89 7.351 -8.180 -12.823 681 H ASP 90 H ASP 90 6.977 -12.317 -9.472 682 HA ASP 90 HA ASP 90 8.595 -13.112 -7.973 683 1HB ASP 90 1HB ASP 90 8.708 -10.132 -7.537 684 2HB ASP 90 2HB ASP 90 9.696 -11.222 -6.563 685 H GLU 91 H GLU 91 8.879 -13.620 -5.678 686 HA GLU 91 HA GLU 91 6.785 -12.621 -3.842 687 1HB GLU 91 1HB GLU 91 6.551 -15.230 -3.239 688 2HB GLU 91 2HB GLU 91 5.515 -14.449 -4.435 689 1HG GLU 91 1HG GLU 91 6.627 -15.407 -6.229 690 2HG GLU 91 2HG GLU 91 8.144 -15.561 -5.342 691 H ALA 92 H ALA 92 8.721 -15.574 -3.557 692 HA ALA 92 HA ALA 92 9.825 -14.652 -1.029 693 1HB ALA 92 1HB ALA 92 9.877 -17.130 -2.644 694 2HB ALA 92 2HB ALA 92 11.319 -16.846 -1.668 695 3HB ALA 92 3HB ALA 92 9.734 -16.927 -0.898 696 H ARG 93 H ARG 93 10.745 -14.353 -4.327 697 HA ARG 93 HA ARG 93 13.613 -14.086 -3.817 698 1HB ARG 93 1HB ARG 93 12.101 -14.547 -6.075 699 2HB ARG 93 2HB ARG 93 12.558 -12.854 -6.270 700 1HG ARG 93 1HG ARG 93 14.444 -13.800 -7.176 701 2HG ARG 93 2HG ARG 93 14.934 -13.841 -5.482 702 1HD ARG 93 1HD ARG 93 14.805 -16.103 -5.378 703 2HD ARG 93 2HD ARG 93 13.299 -16.146 -6.294 704 HE ARG 93 HE ARG 93 14.746 -15.861 -8.362 705 1HH1 ARG 93 1HH1 ARG 93 16.807 -15.927 -5.752 706 2HH1 ARG 93 2HH1 ARG 93 17.785 -17.243 -6.313 707 1HH2 ARG 93 1HH2 ARG 93 15.673 -18.037 -8.947 708 2HH2 ARG 93 2HH2 ARG 93 17.141 -18.438 -8.120 709 H ALA 94 H ALA 94 11.055 -12.169 -3.008 710 HA ALA 94 HA ALA 94 12.339 -9.596 -3.689 711 1HB ALA 94 1HB ALA 94 9.850 -9.883 -3.821 712 2HB ALA 94 2HB ALA 94 9.826 -10.118 -2.072 713 3HB ALA 94 3HB ALA 94 10.342 -8.573 -2.748 714 H MET 95 H MET 95 12.616 -11.898 -1.280 715 HA MET 95 HA MET 95 12.964 -10.068 0.975 716 1HB MET 95 1HB MET 95 12.762 -12.915 0.567 717 2HB MET 95 2HB MET 95 14.197 -12.555 1.527 718 1HG MET 95 1HG MET 95 12.578 -10.951 2.835 719 2HG MET 95 2HG MET 95 11.315 -11.965 2.139 720 1HE MET 95 1HE MET 95 12.244 -14.353 1.634 721 2HE MET 95 2HE MET 95 13.733 -14.911 2.394 722 3HE MET 95 3HE MET 95 12.165 -15.434 3.022 723 H GLU 96 H GLU 96 14.938 -11.379 -1.564 724 HA GLU 96 HA GLU 96 17.450 -10.742 -0.145 725 1HB GLU 96 1HB GLU 96 16.703 -12.124 -2.683 726 2HB GLU 96 2HB GLU 96 18.289 -11.355 -2.616 727 1HG GLU 96 1HG GLU 96 17.436 -13.049 -0.301 728 2HG GLU 96 2HG GLU 96 17.961 -13.854 -1.781 729 H ALA 97 H ALA 97 15.341 -9.380 -2.594 730 HA ALA 97 HA ALA 97 17.244 -7.444 -3.596 731 1HB ALA 97 1HB ALA 97 14.952 -8.270 -4.602 732 2HB ALA 97 2HB ALA 97 14.278 -6.965 -3.625 733 3HB ALA 97 3HB ALA 97 15.475 -6.607 -4.870 734 H LYS 98 H LYS 98 15.291 -7.651 -0.753 735 HA LYS 98 HA LYS 98 15.317 -4.753 -0.260 736 1HB LYS 98 1HB LYS 98 13.479 -6.359 0.503 737 2HB LYS 98 2HB LYS 98 14.622 -6.931 1.719 738 1HG LYS 98 1HG LYS 98 14.842 -4.235 2.051 739 2HG LYS 98 2HG LYS 98 13.149 -4.370 1.575 740 1HD LYS 98 1HD LYS 98 12.560 -5.407 3.509 741 2HD LYS 98 2HD LYS 98 14.020 -6.397 3.529 742 1HE LYS 98 1HE LYS 98 14.686 -5.061 5.235 743 2HE LYS 98 2HE LYS 98 15.025 -3.870 3.979 744 1HZ LYS 98 1HZ LYS 98 12.272 -3.854 4.613 745 2HZ LYS 98 2HZ LYS 98 13.181 -3.670 6.036 746 3HZ LYS 98 3HZ LYS 98 13.404 -2.594 4.745 747 H ARG 99 H ARG 99 17.248 -7.551 0.554 748 HA ARG 99 HA ARG 99 18.659 -6.213 2.740 749 1HB ARG 99 1HB ARG 99 18.841 -8.845 1.342 750 2HB ARG 99 2HB ARG 99 20.285 -8.261 2.170 751 1HG ARG 99 1HG ARG 99 19.404 -8.699 4.200 752 2HG ARG 99 2HG ARG 99 17.895 -7.882 3.792 753 1HD ARG 99 1HD ARG 99 16.848 -9.833 3.330 754 2HD ARG 99 2HD ARG 99 18.209 -10.423 2.376 755 HE ARG 99 HE ARG 99 18.241 -10.553 5.364 756 1HH1 ARG 99 1HH2 ARG 99 16.962 -12.863 3.914 757 2HH1 ARG 99 2HH2 ARG 99 18.296 -13.953 3.739 758 1HH2 ARG 99 1HH1 ARG 99 20.697 -11.542 4.409 759 2HH2 ARG 99 2HH1 ARG 99 20.412 -13.205 4.017 760 H LYS 100 H LYS 100 19.482 -7.163 -0.609 761 HA LYS 100 HA LYS 100 22.076 -5.968 -0.615 762 1HB LYS 100 1HB LYS 100 20.221 -6.234 -2.998 763 2HB LYS 100 2HB LYS 100 21.985 -6.176 -3.018 764 1HG LYS 100 1HG LYS 100 21.599 -8.262 -1.325 765 2HG LYS 100 2HG LYS 100 20.179 -8.432 -2.355 766 1HD LYS 100 1HD LYS 100 21.800 -8.177 -4.339 767 2HD LYS 100 2HD LYS 100 23.087 -8.460 -3.166 768 1HE LYS 100 1HE LYS 100 22.610 -10.669 -3.005 769 2HE LYS 100 2HE LYS 100 20.872 -10.376 -2.949 770 1HZ LYS 100 1HZ LYS 100 22.393 -10.060 -5.458 771 2HZ LYS 100 2HZ LYS 100 21.817 -11.581 -4.970 772 3HZ LYS 100 3HZ LYS 100 20.727 -10.313 -5.250 773 H ALA 101 H ALA 101 18.869 -4.634 -0.974 774 HA ALA 101 HA ALA 101 19.801 -2.081 -2.054 775 1HB ALA 101 1HB ALA 101 17.362 -3.340 -1.997 776 2HB ALA 101 2HB ALA 101 17.174 -2.149 -0.710 777 3HB ALA 101 3HB ALA 101 17.587 -1.626 -2.343 778 H GLU 102 H GLU 102 18.669 -3.288 1.103 779 HA GLU 102 HA GLU 102 18.794 -0.878 2.558 780 1HB GLU 102 1HB GLU 102 17.894 -2.875 3.583 781 2HB GLU 102 2HB GLU 102 19.435 -3.716 3.412 782 1HG GLU 102 1HG GLU 102 19.425 -3.013 5.667 783 2HG GLU 102 2HG GLU 102 20.411 -1.798 4.856 784 H GLU 103 H GLU 103 21.387 -3.131 1.670 785 HA GLU 103 HA GLU 103 23.504 -2.200 3.210 786 1HB GLU 103 1HB GLU 103 23.234 -3.732 0.863 787 2HB GLU 103 2HB GLU 103 24.370 -2.446 0.456 788 1HG GLU 103 1HG GLU 103 24.584 -4.243 2.889 789 2HG GLU 103 2HG GLU 103 25.525 -4.430 1.409 790 H HIS 104 H HIS 104 22.190 -0.714 0.251 791 HA HIS 104 HA HIS 104 24.118 1.450 0.237 792 1HB HIS 104 1HB HIS 104 21.660 0.730 -1.263 793 2HB HIS 104 2HB HIS 104 22.034 2.452 -1.183 794 HD1 HIS 104 HD1 HIS 104 22.675 2.392 -3.746 795 HD2 HIS 104 HD2 HIS 104 25.089 0.035 -1.297 796 HE1 HIS 104 HE1 HIS 104 24.717 1.790 -5.119 797 H ILE 105 H ILE 105 20.838 1.032 1.516 798 HA ILE 105 HA ILE 105 20.781 3.809 2.493 799 HB ILE 105 HB ILE 105 18.793 1.634 3.152 800 1HG1 ILE 105 1HG1 ILE 105 18.674 3.432 0.719 801 2HG1 ILE 105 2HG1 ILE 105 19.320 1.792 0.650 802 1HG2 ILE 105 1HG2 ILE 105 18.699 4.648 2.894 803 2HG2 ILE 105 2HG2 ILE 105 17.261 3.644 3.083 804 3HG2 ILE 105 3HG2 ILE 105 18.477 3.693 4.360 805 1HD1 ILE 105 1HD1 ILE 105 16.710 2.039 2.013 806 2HD1 ILE 105 2HD1 ILE 105 16.683 2.406 0.288 807 3HD1 ILE 105 3HD1 ILE 105 17.261 0.836 0.846 808 H SER 106 H SER 106 22.720 1.653 3.501 809 HA SER 106 HA SER 106 22.048 0.845 6.126 810 1HB SER 106 1HB SER 106 24.295 0.674 4.511 811 2HB SER 106 2HB SER 106 24.840 1.692 5.841 812 HG SER 106 HG SER 106 23.610 -0.069 7.110 813 H SER 107 H SER 107 23.913 3.756 5.160 814 HA SER 107 HA SER 107 22.975 5.011 7.710 815 1HB SER 107 1HB SER 107 25.412 6.127 6.482 816 2HB SER 107 2HB SER 107 25.075 5.748 8.169 817 HG SER 107 HG SER 107 25.287 3.483 7.466 818 H SER 108 H SER 108 22.016 7.012 7.516 819 HA SER 108 HA SER 108 22.134 8.337 4.841 820 1HB SER 108 1HB SER 108 19.720 8.910 5.121 821 2HB SER 108 2HB SER 108 19.993 7.175 4.987 822 HG SER 108 HG SER 108 19.867 7.052 7.252 823 H HIS 109 H HIS 109 20.962 10.652 5.203 824 HA HIS 109 HA HIS 109 21.163 11.904 7.759 825 1HB HIS 109 1HB HIS 109 23.674 11.599 6.268 826 2HB HIS 109 2HB HIS 109 23.320 13.271 6.703 827 HD1 HIS 109 HD1 HIS 109 24.929 10.399 8.043 828 HD2 HIS 109 HD2 HIS 109 22.426 13.312 9.663 829 HE1 HIS 109 HE1 HIS 109 25.272 10.325 10.552 830 H GLY 110 H GLY 110 21.748 14.478 7.176 831 1HA GLY 110 1HA GLY 110 20.787 16.377 6.188 832 2HA GLY 110 2HA GLY 110 21.023 15.522 4.662 833 H ASP 111 H ASP 111 18.841 17.018 4.644 834 HA ASP 111 HA ASP 111 16.507 15.564 5.676 835 1HB ASP 111 1HB ASP 111 16.529 18.043 5.582 836 2HB ASP 111 2HB ASP 111 16.666 17.963 3.825 837 H VAL 112 H VAL 112 17.083 16.794 2.372 838 HA VAL 112 HA VAL 112 15.901 14.254 1.350 839 HB VAL 112 HB VAL 112 15.335 15.455 -0.647 840 1HG1 VAL 112 1HG1 VAL 112 14.161 16.006 1.654 841 2HG1 VAL 112 2HG1 VAL 112 14.897 17.591 1.415 842 3HG1 VAL 112 3HG1 VAL 112 13.773 16.950 0.216 843 1HG2 VAL 112 1HG2 VAL 112 17.498 17.236 0.304 844 2HG2 VAL 112 2HG2 VAL 112 16.999 16.854 -1.343 845 3HG2 VAL 112 3HG2 VAL 112 16.119 18.067 -0.415 846 H ASP 113 H ASP 113 18.830 15.115 2.143 847 HA ASP 113 HA ASP 113 20.437 15.027 -0.199 848 1HB ASP 113 1HB ASP 113 21.416 15.627 1.935 849 2HB ASP 113 2HB ASP 113 20.987 14.057 2.618 850 H TYR 114 H TYR 114 21.031 12.299 1.870 851 HA TYR 114 HA TYR 114 20.963 10.476 -0.380 852 1HB TYR 114 1HB TYR 114 22.408 10.295 1.745 853 2HB TYR 114 2HB TYR 114 20.956 9.685 2.540 854 HD1 TYR 114 HD1 TYR 114 19.749 7.681 1.462 855 HD2 TYR 114 HD2 TYR 114 23.752 8.862 0.442 856 HE1 TYR 114 HE1 TYR 114 20.172 5.429 0.512 857 HE2 TYR 114 HE2 TYR 114 24.174 6.610 -0.507 858 HH TYR 114 HH TYR 114 23.349 4.590 -0.879 859 H ALA 115 H ALA 115 18.643 11.684 1.821 860 HA ALA 115 HA ALA 115 16.826 9.474 1.940 861 1HB ALA 115 1HB ALA 115 16.901 12.217 2.777 862 2HB ALA 115 2HB ALA 115 15.370 11.924 1.949 863 3HB ALA 115 3HB ALA 115 15.828 10.933 3.335 864 H GLN 116 H GLN 116 17.618 11.726 -0.567 865 HA GLN 116 HA GLN 116 15.164 11.644 -2.046 866 1HB GLN 116 1HB GLN 116 17.708 12.821 -2.348 867 2HB GLN 116 2HB GLN 116 17.487 11.796 -3.769 868 1HG GLN 116 1HG GLN 116 15.055 12.895 -3.728 869 2HG GLN 116 2HG GLN 116 15.920 14.184 -2.891 870 1HE2 GLN 116 2HE2 GLN 116 14.824 14.547 -5.534 871 2HE2 GLN 116 1HE2 GLN 116 16.117 14.758 -6.613 872 H ALA 117 H ALA 117 18.145 9.686 -2.306 873 HA ALA 117 HA ALA 117 17.067 7.975 -4.376 874 1HB ALA 117 1HB ALA 117 19.437 7.788 -2.518 875 2HB ALA 117 2HB ALA 117 19.017 6.463 -3.603 876 3HB ALA 117 3HB ALA 117 19.429 8.046 -4.263 877 H SER 118 H SER 118 16.318 8.249 -1.119 878 HA SER 118 HA SER 118 15.858 5.381 -0.645 879 1HB SER 118 1HB SER 118 15.883 7.828 0.951 880 2HB SER 118 2HB SER 118 14.509 6.796 1.335 881 HG SER 118 HG SER 118 15.988 5.813 2.494 882 H ALA 119 H ALA 119 14.210 7.917 -2.178 883 HA ALA 119 HA ALA 119 11.512 6.951 -1.523 884 1HB ALA 119 1HB ALA 119 12.614 9.347 -2.563 885 2HB ALA 119 2HB ALA 119 11.571 8.685 -3.821 886 3HB ALA 119 3HB ALA 119 10.919 9.009 -2.215 887 H GLU 120 H GLU 120 13.890 6.571 -4.077 888 HA GLU 120 HA GLU 120 11.981 5.286 -5.898 889 1HB GLU 120 1HB GLU 120 13.951 4.903 -7.322 890 2HB GLU 120 2HB GLU 120 13.903 6.579 -6.776 891 1HG GLU 120 1HG GLU 120 15.980 6.305 -5.953 892 2HG GLU 120 2HG GLU 120 15.308 5.177 -4.778 893 H LEU 121 H LEU 121 14.301 4.318 -3.457 894 HA LEU 121 HA LEU 121 14.271 1.501 -4.260 895 1HB LEU 121 1HB LEU 121 15.825 3.149 -2.518 896 2HB LEU 121 2HB LEU 121 15.154 1.830 -1.559 897 HG LEU 121 HG LEU 121 16.682 1.519 -4.161 898 1HD1 LEU 121 1HD1 LEU 121 17.952 2.186 -2.023 899 2HD1 LEU 121 2HD1 LEU 121 17.499 0.599 -1.401 900 3HD1 LEU 121 3HD1 LEU 121 18.499 0.726 -2.849 901 1HD2 LEU 121 1HD2 LEU 121 14.793 -0.155 -3.513 902 2HD2 LEU 121 2HD2 LEU 121 16.374 -0.808 -3.940 903 3HD2 LEU 121 3HD2 LEU 121 15.903 -0.676 -2.246 904 H ALA 122 H ALA 122 13.227 3.162 -1.258 905 HA ALA 122 HA ALA 122 11.799 1.140 -0.044 906 1HB ALA 122 1HB ALA 122 11.691 4.048 -0.027 907 2HB ALA 122 2HB ALA 122 10.095 3.344 0.230 908 3HB ALA 122 3HB ALA 122 11.431 2.915 1.299 909 H LYS 123 H LYS 123 10.711 3.110 -2.792 910 HA LYS 123 HA LYS 123 8.036 2.401 -2.988 911 1HB LYS 123 1HB LYS 123 10.174 2.907 -5.016 912 2HB LYS 123 2HB LYS 123 8.636 2.251 -5.581 913 1HG LYS 123 1HG LYS 123 7.926 4.273 -3.775 914 2HG LYS 123 2HG LYS 123 9.264 4.949 -4.702 915 1HD LYS 123 1HD LYS 123 7.194 3.469 -6.243 916 2HD LYS 123 2HD LYS 123 6.718 5.032 -5.576 917 1HE LYS 123 1HE LYS 123 9.374 5.111 -6.789 918 2HE LYS 123 2HE LYS 123 8.127 4.637 -7.942 919 1HZ LYS 123 1HZ LYS 123 6.834 6.575 -7.254 920 2HZ LYS 123 2HZ LYS 123 8.081 7.042 -6.199 921 3HZ LYS 123 3HZ LYS 123 8.345 7.024 -7.877 922 H ALA 124 H ALA 124 10.688 0.537 -4.527 923 HA ALA 124 HA ALA 124 8.982 -1.720 -5.091 924 1HB ALA 124 1HB ALA 124 11.713 -0.951 -5.582 925 2HB ALA 124 2HB ALA 124 11.677 -2.596 -4.945 926 3HB ALA 124 3HB ALA 124 10.756 -2.191 -6.393 927 H ILE 125 H ILE 125 10.738 -0.699 -2.278 928 HA ILE 125 HA ILE 125 10.984 -3.305 -1.047 929 HB ILE 125 HB ILE 125 10.889 -0.565 0.252 930 1HG1 ILE 125 1HG1 ILE 125 12.697 -0.554 -1.310 931 2HG1 ILE 125 2HG1 ILE 125 13.427 -0.926 0.251 932 1HG2 ILE 125 1HG2 ILE 125 11.015 -3.233 1.317 933 2HG2 ILE 125 2HG2 ILE 125 12.546 -2.414 1.630 934 3HG2 ILE 125 3HG2 ILE 125 11.032 -1.699 2.188 935 1HD1 ILE 125 1HD1 ILE 125 13.059 -3.411 -0.412 936 2HD1 ILE 125 2HD1 ILE 125 12.864 -2.788 -2.051 937 3HD1 ILE 125 3HD1 ILE 125 14.379 -2.532 -1.185 938 H ALA 126 H ALA 126 8.278 -1.498 -1.793 939 HA ALA 126 HA ALA 126 6.741 -2.131 0.631 940 1HB ALA 126 1HB ALA 126 6.288 -0.066 -0.674 941 2HB ALA 126 2HB ALA 126 5.811 -1.060 -2.050 942 3HB ALA 126 3HB ALA 126 4.862 -1.100 -0.564 943 H GLN 127 H GLN 127 7.669 -3.793 -2.163 944 HA GLN 127 HA GLN 127 5.238 -5.415 -2.411 945 1HB GLN 127 1HB GLN 127 7.242 -4.819 -4.150 946 2HB GLN 127 2HB GLN 127 7.776 -6.402 -3.583 947 1HG GLN 127 1HG GLN 127 5.840 -7.476 -4.362 948 2HG GLN 127 2HG GLN 127 4.915 -5.975 -4.416 949 1HE2 GLN 127 2HE2 GLN 127 5.722 -8.063 -6.590 950 2HE2 GLN 127 1HE2 GLN 127 6.344 -7.100 -7.842 951 H LEU 128 H LEU 128 8.282 -5.564 -0.702 952 HA LEU 128 HA LEU 128 8.138 -8.410 -0.121 953 1HB LEU 128 1HB LEU 128 10.285 -7.210 -0.073 954 2HB LEU 128 2HB LEU 128 9.695 -6.187 1.236 955 HG LEU 128 HG LEU 128 9.420 -8.175 2.671 956 1HD1 LEU 128 1HD1 LEU 128 9.665 -9.522 0.155 957 2HD1 LEU 128 2HD1 LEU 128 10.965 -10.076 1.211 958 3HD1 LEU 128 3HD1 LEU 128 9.286 -10.214 1.731 959 1HD2 LEU 128 1HD2 LEU 128 11.973 -7.260 1.542 960 2HD2 LEU 128 2HD2 LEU 128 11.512 -7.494 3.227 961 3HD2 LEU 128 3HD2 LEU 128 12.067 -8.865 2.266 962 H ARG 129 H ARG 129 6.403 -5.735 0.978 963 HA ARG 129 HA ARG 129 5.985 -6.788 3.705 964 1HB ARG 129 1HB ARG 129 6.060 -4.260 2.855 965 2HB ARG 129 2HB ARG 129 4.342 -4.557 2.587 966 1HG ARG 129 1HG ARG 129 4.593 -3.690 4.829 967 2HG ARG 129 2HG ARG 129 4.200 -5.405 4.958 968 1HD ARG 129 1HD ARG 129 6.103 -5.763 6.098 969 2HD ARG 129 2HD ARG 129 7.040 -5.161 4.730 970 HE ARG 129 HE ARG 129 7.292 -3.111 5.876 971 1HH1 ARG 129 1HH2 ARG 129 6.570 -5.095 8.243 972 2HH1 ARG 129 2HH2 ARG 129 5.541 -4.049 9.164 973 1HH2 ARG 129 1HH1 ARG 129 5.187 -1.719 6.622 974 2HH2 ARG 129 2HH1 ARG 129 4.760 -2.138 8.248 975 H VAL 130 H VAL 130 4.097 -6.280 0.719 976 HA VAL 130 HA VAL 130 1.664 -7.391 1.796 977 HB VAL 130 HB VAL 130 0.948 -7.509 -0.581 978 1HG1 VAL 130 1HG1 VAL 130 1.183 -5.323 0.885 979 2HG1 VAL 130 2HG1 VAL 130 2.428 -4.917 -0.296 980 3HG1 VAL 130 3HG1 VAL 130 0.771 -5.203 -0.826 981 1HG2 VAL 130 1HG2 VAL 130 3.313 -8.149 -1.351 982 2HG2 VAL 130 2HG2 VAL 130 2.444 -6.995 -2.363 983 3HG2 VAL 130 3HG2 VAL 130 3.691 -6.430 -1.253 984 H ILE 131 H ILE 131 4.534 -8.783 0.417 985 HA ILE 131 HA ILE 131 3.234 -11.395 -0.020 986 HB ILE 131 HB ILE 131 4.931 -10.636 -1.624 987 1HG1 ILE 131 1HG1 ILE 131 4.630 -13.112 -0.847 988 2HG1 ILE 131 2HG1 ILE 131 6.026 -12.699 -1.836 989 1HG2 ILE 131 1HG2 ILE 131 6.265 -9.289 -0.008 990 2HG2 ILE 131 2HG2 ILE 131 6.868 -10.786 0.704 991 3HG2 ILE 131 3HG2 ILE 131 7.266 -10.379 -0.964 992 1HD1 ILE 131 1HD1 ILE 131 6.604 -12.307 0.987 993 2HD1 ILE 131 2HD1 ILE 131 6.064 -13.954 0.673 994 3HD1 ILE 131 3HD1 ILE 131 7.451 -13.300 -0.196 995 H GLU 132 H GLU 132 5.822 -10.057 2.058 996 HA GLU 132 HA GLU 132 6.384 -12.404 3.518 997 1HB GLU 132 1HB GLU 132 7.335 -10.987 5.188 998 2HB GLU 132 2HB GLU 132 7.563 -10.140 3.659 999 1HG GLU 132 1HG GLU 132 5.591 -8.758 4.091 1000 2HG GLU 132 2HG GLU 132 5.279 -9.638 5.588 1001 H LEU 133 H LEU 133 3.604 -10.321 3.612 1002 HA LEU 133 HA LEU 133 2.648 -11.296 6.199 1003 1HB LEU 133 1HB LEU 133 1.946 -9.214 4.348 1004 2HB LEU 133 2HB LEU 133 0.512 -10.183 4.691 1005 HG LEU 133 HG LEU 133 1.390 -9.989 7.188 1006 1HD1 LEU 133 1HD1 LEU 133 3.450 -8.734 6.326 1007 2HD1 LEU 133 2HD1 LEU 133 2.367 -7.380 6.010 1008 3HD1 LEU 133 3HD1 LEU 133 2.579 -7.973 7.657 1009 1HD2 LEU 133 1HD2 LEU 133 -0.390 -8.408 5.498 1010 2HD2 LEU 133 2HD2 LEU 133 -0.639 -8.992 7.142 1011 3HD2 LEU 133 3HD2 LEU 133 0.219 -7.476 6.866 1012 H THR 134 H THR 134 1.843 -11.883 2.771 1013 HA THR 134 HA THR 134 -0.375 -13.517 2.966 1014 HB THR 134 HB THR 134 0.545 -14.803 1.022 1015 HG1 THR 134 HG1 THR 134 2.703 -13.406 0.532 1016 1HG2 THR 134 1HG2 THR 134 -0.274 -12.201 1.128 1017 2HG2 THR 134 2HG2 THR 134 1.311 -12.024 0.373 1018 3HG2 THR 134 3HG2 THR 134 0.090 -13.060 -0.368 1019 H LYS 135 H LYS 135 2.944 -14.352 3.848 1020 HA LYS 135 HA LYS 135 2.458 -17.159 4.260 1021 1HB LYS 135 1HB LYS 135 4.568 -15.227 5.210 1022 2HB LYS 135 2HB LYS 135 4.533 -16.888 5.805 1023 1HG LYS 135 1HG LYS 135 4.296 -17.435 3.209 1024 2HG LYS 135 2HG LYS 135 5.099 -15.872 3.051 1025 1HD LYS 135 1HD LYS 135 6.898 -17.384 3.161 1026 2HD LYS 135 2HD LYS 135 6.764 -16.801 4.821 1027 1HE LYS 135 1HE LYS 135 4.980 -18.960 4.672 1028 2HE LYS 135 2HE LYS 135 6.414 -19.495 3.795 1029 1HZ LYS 135 1HZ LYS 135 7.138 -18.103 6.156 1030 2HZ LYS 135 2HZ LYS 135 6.087 -19.385 6.528 1031 3HZ LYS 135 3HZ LYS 135 7.526 -19.688 5.684 1032 H LYS 136 H LYS 136 2.576 -14.401 6.541 1033 HA LYS 136 HA LYS 136 1.380 -16.148 8.623 1034 1HB LYS 136 1HB LYS 136 2.339 -13.277 8.837 1035 2HB LYS 136 2HB LYS 136 1.904 -14.342 10.175 1036 1HG LYS 136 1HG LYS 136 3.834 -15.671 8.509 1037 2HG LYS 136 2HG LYS 136 4.443 -14.071 8.936 1038 1HD LYS 136 1HD LYS 136 4.770 -14.666 11.090 1039 2HD LYS 136 2HD LYS 136 3.169 -15.400 11.201 1040 1HE LYS 136 1HE LYS 136 5.311 -16.812 9.646 1041 2HE LYS 136 2HE LYS 136 5.326 -16.907 11.407 1042 1HZ LYS 136 1HZ LYS 136 2.853 -17.434 9.890 1043 2HZ LYS 136 2HZ LYS 136 4.011 -18.655 10.100 1044 3HZ LYS 136 3HZ LYS 136 3.274 -17.943 11.455 1045 H ALA 137 H ALA 137 -0.368 -15.613 6.515 1046 HA ALA 137 HA ALA 137 -2.105 -13.395 7.469 1047 1HB ALA 137 1HB ALA 137 -1.442 -14.142 4.931 1048 2HB ALA 137 2HB ALA 137 -2.957 -15.020 5.145 1049 3HB ALA 137 3HB ALA 137 -2.918 -13.268 5.341 1050 H MET 138 H MET 138 -2.078 -16.911 7.028 1051 HA MET 138 HA MET 138 -4.851 -17.223 7.873 1052 1HB MET 138 1HB MET 138 -3.528 -18.842 6.399 1053 2HB MET 138 2HB MET 138 -2.717 -19.366 7.875 1054 1HG MET 138 1HG MET 138 -4.659 -20.282 8.781 1055 2HG MET 138 2HG MET 138 -5.716 -19.252 7.816 1056 1HE MET 138 1HE MET 138 -7.278 -20.602 6.631 1057 2HE MET 138 2HE MET 138 -6.423 -19.633 5.434 1058 3HE MET 138 3HE MET 138 -6.818 -21.313 5.078 Start of MODEL 17 1 1H ALA 1 1H ALA 1 -24.769 -0.064 10.586 2 2H ALA 1 2H ALA 1 -26.328 0.221 9.974 3 3H ALA 1 3H ALA 1 -25.124 -0.414 8.962 4 HA ALA 1 HA ALA 1 -25.236 1.819 8.356 5 1HB ALA 1 1HB ALA 1 -26.393 2.161 10.818 6 2HB ALA 1 2HB ALA 1 -24.829 2.943 11.053 7 3HB ALA 1 3HB ALA 1 -25.901 3.482 9.759 8 H MET 2 H MET 2 -23.127 0.535 7.891 9 HA MET 2 HA MET 2 -20.890 2.208 8.534 10 1HB MET 2 1HB MET 2 -19.591 0.643 9.918 11 2HB MET 2 2HB MET 2 -21.094 1.075 10.732 12 1HG MET 2 1HG MET 2 -22.132 -1.011 9.844 13 2HG MET 2 2HG MET 2 -20.573 -1.457 9.149 14 1HE MET 2 1HE MET 2 -22.497 -2.826 10.846 15 2HE MET 2 2HE MET 2 -21.628 -3.670 12.135 16 3HE MET 2 3HE MET 2 -22.638 -2.276 12.513 17 H THR 3 H THR 3 -18.762 0.571 8.068 18 HA THR 3 HA THR 3 -17.648 -0.476 6.284 19 HB THR 3 HB THR 3 -20.121 -2.056 5.693 20 HG1 THR 3 HG1 THR 3 -18.598 -2.829 7.875 21 1HG2 THR 3 1HG2 THR 3 -17.154 -2.449 5.796 22 2HG2 THR 3 2HG2 THR 3 -18.212 -3.848 5.973 23 3HG2 THR 3 3HG2 THR 3 -18.292 -2.865 4.513 24 H TYR 4 H TYR 4 -17.388 0.999 4.661 25 HA TYR 4 HA TYR 4 -19.709 1.597 2.901 26 1HB TYR 4 1HB TYR 4 -18.173 3.392 2.008 27 2HB TYR 4 2HB TYR 4 -18.518 3.547 3.724 28 HD1 TYR 4 HD1 TYR 4 -15.962 2.281 1.301 29 HD2 TYR 4 HD2 TYR 4 -16.791 3.458 5.348 30 HE1 TYR 4 HE1 TYR 4 -13.555 2.208 1.802 31 HE2 TYR 4 HE2 TYR 4 -14.364 3.380 5.862 32 HH TYR 4 HH TYR 4 -11.981 2.596 3.325 33 H HIS 5 H HIS 5 -17.910 2.270 0.666 34 HA HIS 5 HA HIS 5 -16.912 -0.442 -0.109 35 1HB HIS 5 1HB HIS 5 -18.676 -0.487 -1.572 36 2HB HIS 5 2HB HIS 5 -19.010 1.229 -1.361 37 HD1 HIS 5 HD1 HIS 5 -18.124 -0.966 -3.959 38 HD2 HIS 5 HD2 HIS 5 -16.625 2.721 -2.755 39 HE1 HIS 5 HE1 HIS 5 -16.865 -0.021 -5.943 40 H LEU 6 H LEU 6 -14.928 -0.266 -1.407 41 HA LEU 6 HA LEU 6 -14.022 2.521 -1.857 42 1HB LEU 6 1HB LEU 6 -11.864 2.175 -0.943 43 2HB LEU 6 2HB LEU 6 -12.978 1.501 0.241 44 HG LEU 6 HG LEU 6 -12.645 -0.715 -1.036 45 1HD1 LEU 6 1HD1 LEU 6 -10.617 1.076 -2.253 46 2HD1 LEU 6 2HD1 LEU 6 -10.032 -0.521 -1.784 47 3HD1 LEU 6 3HD1 LEU 6 -11.375 -0.373 -2.916 48 1HD2 LEU 6 1HD2 LEU 6 -11.129 0.616 1.044 49 2HD2 LEU 6 2HD2 LEU 6 -11.618 -1.075 0.937 50 3HD2 LEU 6 3HD2 LEU 6 -10.118 -0.540 0.177 51 H ASP 7 H ASP 7 -12.017 2.505 -3.383 52 HA ASP 7 HA ASP 7 -12.012 0.159 -5.198 53 1HB ASP 7 1HB ASP 7 -13.750 1.625 -6.121 54 2HB ASP 7 2HB ASP 7 -12.623 2.983 -6.116 55 H VAL 8 H VAL 8 -9.819 -0.256 -4.860 56 HA VAL 8 HA VAL 8 -7.940 2.024 -5.265 57 HB VAL 8 HB VAL 8 -7.684 0.760 -3.159 58 1HG1 VAL 8 1HG1 VAL 8 -8.367 -1.426 -4.702 59 2HG1 VAL 8 2HG1 VAL 8 -6.635 -1.656 -4.462 60 3HG1 VAL 8 3HG1 VAL 8 -7.705 -1.507 -3.068 61 1HG2 VAL 8 1HG2 VAL 8 -5.713 1.676 -4.565 62 2HG2 VAL 8 2HG2 VAL 8 -5.336 0.515 -3.293 63 3HG2 VAL 8 3HG2 VAL 8 -5.403 -0.011 -4.975 64 H VAL 9 H VAL 9 -7.481 2.141 -7.440 65 HA VAL 9 HA VAL 9 -6.512 -0.370 -8.738 66 HB VAL 9 HB VAL 9 -7.487 0.641 -10.900 67 1HG1 VAL 9 1HG1 VAL 9 -8.401 -1.300 -9.446 68 2HG1 VAL 9 2HG1 VAL 9 -9.591 -0.128 -8.880 69 3HG1 VAL 9 3HG1 VAL 9 -9.508 -0.541 -10.592 70 1HG2 VAL 9 1HG2 VAL 9 -7.908 2.878 -9.730 71 2HG2 VAL 9 2HG2 VAL 9 -9.248 2.244 -10.686 72 3HG2 VAL 9 3HG2 VAL 9 -9.269 2.092 -8.928 73 H SER 10 H SER 10 -4.818 -0.023 -10.298 74 HA SER 10 HA SER 10 -3.857 2.644 -10.909 75 1HB SER 10 1HB SER 10 -1.643 1.437 -9.529 76 2HB SER 10 2HB SER 10 -2.415 2.990 -9.220 77 HG SER 10 HG SER 10 -3.209 0.436 -8.257 78 H ALA 11 H ALA 11 -4.226 1.300 -12.938 79 HA ALA 11 HA ALA 11 -3.193 0.350 -14.827 80 1HB ALA 11 1HB ALA 11 -1.139 1.575 -13.747 81 2HB ALA 11 2HB ALA 11 -0.661 -0.051 -13.257 82 3HB ALA 11 3HB ALA 11 -0.859 0.332 -14.967 83 H GLU 12 H GLU 12 -3.943 -1.132 -12.038 84 HA GLU 12 HA GLU 12 -3.695 -3.796 -13.244 85 1HB GLU 12 1HB GLU 12 -2.224 -3.027 -10.713 86 2HB GLU 12 2HB GLU 12 -2.599 -4.699 -11.124 87 1HG GLU 12 1HG GLU 12 -1.441 -4.322 -13.339 88 2HG GLU 12 2HG GLU 12 -0.904 -2.761 -12.716 89 H GLN 13 H GLN 13 -6.062 -3.269 -13.094 90 HA GLN 13 HA GLN 13 -7.453 -2.871 -10.669 91 1HB GLN 13 1HB GLN 13 -9.417 -3.664 -11.826 92 2HB GLN 13 2HB GLN 13 -8.434 -2.783 -12.996 93 1HG GLN 13 1HG GLN 13 -7.428 -4.982 -13.699 94 2HG GLN 13 2HG GLN 13 -8.600 -5.789 -12.655 95 1HE2 GLN 13 2HE2 GLN 13 -8.920 -2.994 -14.923 96 2HE2 GLN 13 1HE2 GLN 13 -10.208 -3.669 -15.800 97 H GLN 14 H GLN 14 -9.227 -5.006 -10.386 98 HA GLN 14 HA GLN 14 -9.443 -7.140 -9.427 99 1HB GLN 14 1HB GLN 14 -7.363 -7.440 -11.272 100 2HB GLN 14 2HB GLN 14 -6.702 -8.064 -9.760 101 1HG GLN 14 1HG GLN 14 -8.099 -9.856 -9.749 102 2HG GLN 14 2HG GLN 14 -9.479 -8.894 -10.284 103 1HE2 GLN 14 2HE2 GLN 14 -6.461 -8.868 -12.121 104 2HE2 GLN 14 1HE2 GLN 14 -7.051 -9.745 -13.449 105 H MET 15 H MET 15 -8.483 -4.759 -7.983 106 HA MET 15 HA MET 15 -6.737 -6.035 -5.924 107 1HB MET 15 1HB MET 15 -7.288 -3.166 -6.675 108 2HB MET 15 2HB MET 15 -6.616 -3.575 -5.096 109 1HG MET 15 1HG MET 15 -4.820 -4.889 -6.312 110 2HG MET 15 2HG MET 15 -5.422 -4.182 -7.812 111 1HE MET 15 1HE MET 15 -2.828 -4.272 -5.815 112 2HE MET 15 2HE MET 15 -2.356 -3.482 -7.326 113 3HE MET 15 3HE MET 15 -2.061 -2.686 -5.782 114 H PHE 16 H PHE 16 -9.080 -3.377 -5.584 115 HA PHE 16 HA PHE 16 -10.796 -5.110 -3.902 116 1HB PHE 16 1HB PHE 16 -9.024 -4.031 -2.430 117 2HB PHE 16 2HB PHE 16 -9.746 -2.478 -2.843 118 HD1 PHE 16 HD1 PHE 16 -12.066 -1.954 -2.193 119 HD2 PHE 16 HD2 PHE 16 -10.163 -5.584 -0.940 120 HE1 PHE 16 HE1 PHE 16 -13.839 -2.283 -0.518 121 HE2 PHE 16 HE2 PHE 16 -11.941 -5.924 0.757 122 HZ PHE 16 HZ PHE 16 -13.781 -4.270 0.968 123 H SER 17 H SER 17 -12.810 -4.748 -4.652 124 HA SER 17 HA SER 17 -13.691 -1.954 -5.105 125 1HB SER 17 1HB SER 17 -14.385 -2.274 -7.315 126 2HB SER 17 2HB SER 17 -12.867 -3.167 -7.283 127 HG SER 17 HG SER 17 -13.945 -5.025 -7.306 128 H GLY 18 H GLY 18 -15.335 -1.890 -3.639 129 1HA GLY 18 1HA GLY 18 -17.838 -2.777 -3.774 130 2HA GLY 18 2HA GLY 18 -17.055 -4.280 -3.286 131 H LEU 19 H LEU 19 -18.466 -4.013 -1.345 132 HA LEU 19 HA LEU 19 -18.461 -1.997 0.544 133 1HB LEU 19 1HB LEU 19 -18.607 -3.848 2.291 134 2HB LEU 19 2HB LEU 19 -19.789 -3.920 0.990 135 HG LEU 19 HG LEU 19 -18.446 -6.083 1.728 136 1HD1 LEU 19 1HD1 LEU 19 -19.937 -5.349 -0.459 137 2HD1 LEU 19 2HD1 LEU 19 -18.443 -5.924 -1.201 138 3HD1 LEU 19 3HD1 LEU 19 -19.360 -6.982 -0.128 139 1HD2 LEU 19 1HD2 LEU 19 -16.567 -4.742 -0.248 140 2HD2 LEU 19 2HD2 LEU 19 -16.204 -5.167 1.421 141 3HD2 LEU 19 3HD2 LEU 19 -16.475 -6.438 0.229 142 H VAL 20 H VAL 20 -17.279 -2.229 2.811 143 HA VAL 20 HA VAL 20 -14.736 -3.243 3.199 144 HB VAL 20 HB VAL 20 -13.649 -2.216 1.435 145 1HG1 VAL 20 1HG1 VAL 20 -15.885 -0.280 1.625 146 2HG1 VAL 20 2HG1 VAL 20 -14.381 0.315 0.931 147 3HG1 VAL 20 3HG1 VAL 20 -15.198 -1.068 0.211 148 1HG2 VAL 20 1HG2 VAL 20 -13.734 -0.035 3.517 149 2HG2 VAL 20 2HG2 VAL 20 -12.518 -1.315 3.362 150 3HG2 VAL 20 3HG2 VAL 20 -12.637 -0.051 2.135 151 H GLU 21 H GLU 21 -13.816 -2.368 5.183 152 HA GLU 21 HA GLU 21 -15.215 -0.043 6.366 153 1HB GLU 21 1HB GLU 21 -15.336 -1.615 8.538 154 2HB GLU 21 2HB GLU 21 -16.664 -1.500 7.394 155 1HG GLU 21 1HG GLU 21 -16.504 -3.709 7.031 156 2HG GLU 21 2HG GLU 21 -14.888 -3.469 6.380 157 H LYS 22 H LYS 22 -12.686 -2.530 6.744 158 HA LYS 22 HA LYS 22 -11.218 -0.533 8.405 159 1HB LYS 22 1HB LYS 22 -11.829 -3.276 8.873 160 2HB LYS 22 2HB LYS 22 -10.080 -3.131 8.685 161 1HG LYS 22 1HG LYS 22 -10.296 -2.626 10.935 162 2HG LYS 22 2HG LYS 22 -10.430 -1.014 10.233 163 1HD LYS 22 1HD LYS 22 -12.971 -1.476 10.137 164 2HD LYS 22 2HD LYS 22 -12.636 -2.797 11.256 165 1HE LYS 22 1HE LYS 22 -12.124 -1.381 12.989 166 2HE LYS 22 2HE LYS 22 -11.432 -0.160 11.922 167 1HZ LYS 22 1HZ LYS 22 -13.880 0.077 11.139 168 2HZ LYS 22 2HZ LYS 22 -14.243 -0.624 12.644 169 3HZ LYS 22 3HZ LYS 22 -13.376 0.836 12.569 170 H ILE 23 H ILE 23 -10.421 0.388 6.322 171 HA ILE 23 HA ILE 23 -8.335 -1.309 5.017 172 HB ILE 23 HB ILE 23 -8.425 0.145 3.155 173 1HG1 ILE 23 1HG1 ILE 23 -10.042 2.158 4.737 174 2HG1 ILE 23 2HG1 ILE 23 -8.284 2.244 4.609 175 1HG2 ILE 23 1HG2 ILE 23 -10.917 -0.745 4.318 176 2HG2 ILE 23 2HG2 ILE 23 -11.172 0.726 3.377 177 3HG2 ILE 23 3HG2 ILE 23 -10.441 -0.688 2.620 178 1HD1 ILE 23 1HD1 ILE 23 -9.765 1.883 2.061 179 2HD1 ILE 23 2HD1 ILE 23 -9.928 3.454 2.842 180 3HD1 ILE 23 3HD1 ILE 23 -8.331 2.851 2.403 181 H GLN 24 H GLN 24 -6.173 -0.205 4.696 182 HA GLN 24 HA GLN 24 -5.603 2.145 6.332 183 1HB GLN 24 1HB GLN 24 -5.753 0.105 7.928 184 2HB GLN 24 2HB GLN 24 -4.223 -0.388 7.200 185 1HG GLN 24 1HG GLN 24 -3.052 1.304 8.192 186 2HG GLN 24 2HG GLN 24 -4.382 2.452 8.030 187 1HE2 GLN 24 2HE2 GLN 24 -5.962 2.552 9.750 188 2HE2 GLN 24 1HE2 GLN 24 -5.736 1.749 11.230 189 H VAL 25 H VAL 25 -4.179 3.187 5.045 190 HA VAL 25 HA VAL 25 -2.287 1.568 3.415 191 HB VAL 25 HB VAL 25 -2.339 4.510 3.094 192 1HG1 VAL 25 1HG1 VAL 25 -1.135 2.721 1.681 193 2HG1 VAL 25 2HG1 VAL 25 -2.727 2.351 1.022 194 3HG1 VAL 25 3HG1 VAL 25 -2.038 3.960 0.809 195 1HG2 VAL 25 1HG2 VAL 25 -4.779 2.816 2.867 196 2HG2 VAL 25 2HG2 VAL 25 -4.639 4.544 3.188 197 3HG2 VAL 25 3HG2 VAL 25 -4.476 3.936 1.540 198 H THR 26 H THR 26 -0.395 1.214 4.455 199 HA THR 26 HA THR 26 0.642 3.300 6.305 200 HB THR 26 HB THR 26 1.523 0.426 5.879 201 HG1 THR 26 HG1 THR 26 0.158 -0.031 7.406 202 1HG2 THR 26 1HG2 THR 26 2.337 2.483 7.953 203 2HG2 THR 26 2HG2 THR 26 2.839 0.791 7.939 204 3HG2 THR 26 3HG2 THR 26 3.356 1.874 6.648 205 H GLY 27 H GLY 27 1.927 4.755 5.274 206 1HA GLY 27 1HA GLY 27 4.041 3.679 3.463 207 2HA GLY 27 2HA GLY 27 3.071 5.056 2.944 208 H SER 28 H SER 28 3.991 7.005 3.340 209 HA SER 28 HA SER 28 5.917 7.188 5.625 210 1HB SER 28 1HB SER 28 6.584 7.520 3.027 211 2HB SER 28 2HB SER 28 6.079 9.164 3.406 212 HG SER 28 HG SER 28 7.477 8.640 5.416 213 H GLU 29 H GLU 29 5.258 8.545 7.210 214 HA GLU 29 HA GLU 29 4.298 10.447 8.225 215 1HB GLU 29 1HB GLU 29 4.924 11.454 5.845 216 2HB GLU 29 2HB GLU 29 3.175 11.403 5.619 217 1HG GLU 29 1HG GLU 29 2.770 12.910 7.356 218 2HG GLU 29 2HG GLU 29 4.304 12.559 8.152 219 H GLY 30 H GLY 30 2.566 9.772 9.391 220 1HA GLY 30 1HA GLY 30 0.236 9.549 9.817 221 2HA GLY 30 2HA GLY 30 -0.065 9.657 8.083 222 H GLU 31 H GLU 31 -1.353 7.714 9.605 223 HA GLU 31 HA GLU 31 -0.507 5.295 8.220 224 1HB GLU 31 1HB GLU 31 1.016 5.383 10.238 225 2HB GLU 31 2HB GLU 31 -0.425 5.269 11.249 226 1HG GLU 31 1HG GLU 31 -0.523 3.043 10.944 227 2HG GLU 31 2HG GLU 31 -0.515 3.247 9.192 228 H LEU 32 H LEU 32 -2.825 6.236 7.698 229 HA LEU 32 HA LEU 32 -4.732 4.538 9.196 230 1HB LEU 32 1HB LEU 32 -4.878 7.543 9.034 231 2HB LEU 32 2HB LEU 32 -6.354 6.579 9.175 232 HG LEU 32 HG LEU 32 -4.018 6.193 11.058 233 1HD1 LEU 32 1HD1 LEU 32 -6.121 8.315 11.022 234 2HD1 LEU 32 2HD1 LEU 32 -5.705 7.599 12.579 235 3HD1 LEU 32 3HD1 LEU 32 -4.460 8.391 11.612 236 1HD2 LEU 32 1HD2 LEU 32 -6.565 4.957 10.640 237 2HD2 LEU 32 2HD2 LEU 32 -5.366 4.585 11.879 238 3HD2 LEU 32 3HD2 LEU 32 -6.612 5.791 12.194 239 H GLY 33 H GLY 33 -6.390 3.804 7.898 240 1HA GLY 33 1HA GLY 33 -6.289 4.651 5.044 241 2HA GLY 33 2HA GLY 33 -7.000 3.145 5.634 242 H ILE 34 H ILE 34 -9.166 3.130 6.109 243 HA ILE 34 HA ILE 34 -10.533 5.627 6.787 244 HB ILE 34 HB ILE 34 -10.981 4.228 4.148 245 1HG1 ILE 34 1HG1 ILE 34 -9.496 6.189 4.243 246 2HG1 ILE 34 2HG1 ILE 34 -10.983 6.592 3.379 247 1HG2 ILE 34 1HG2 ILE 34 -13.133 4.639 5.686 248 2HG2 ILE 34 2HG2 ILE 34 -12.909 6.292 5.141 249 3HG2 ILE 34 3HG2 ILE 34 -13.164 5.005 3.967 250 1HD1 ILE 34 1HD1 ILE 34 -11.752 7.135 5.915 251 2HD1 ILE 34 2HD1 ILE 34 -10.027 7.520 6.031 252 3HD1 ILE 34 3HD1 ILE 34 -11.042 8.348 4.843 253 H TYR 35 H TYR 35 -12.412 5.264 7.904 254 HA TYR 35 HA TYR 35 -13.423 2.478 8.131 255 1HB TYR 35 1HB TYR 35 -13.525 3.401 10.745 256 2HB TYR 35 2HB TYR 35 -12.337 2.259 10.123 257 HD1 TYR 35 HD1 TYR 35 -10.243 3.365 8.914 258 HD2 TYR 35 HD2 TYR 35 -12.797 5.388 11.716 259 HE1 TYR 35 HE1 TYR 35 -8.456 5.025 9.344 260 HE2 TYR 35 HE2 TYR 35 -11.008 7.049 12.144 261 HH TYR 35 HH TYR 35 -8.155 6.805 11.806 262 HA PRO 36 HA PRO 36 -17.335 4.439 8.477 263 1HB PRO 36 1HB PRO 36 -18.567 3.105 10.551 264 2HB PRO 36 2HB PRO 36 -18.336 2.417 8.934 265 1HG PRO 36 1HG PRO 36 -16.841 1.834 11.457 266 2HG PRO 36 2HG PRO 36 -17.158 0.777 10.070 267 1HD PRO 36 1HD PRO 36 -14.727 2.077 10.573 268 2HD PRO 36 2HD PRO 36 -15.221 1.415 9.002 269 H GLY 37 H GLY 37 -16.718 6.535 9.152 270 1HA GLY 37 1HA GLY 37 -17.715 7.998 11.061 271 2HA GLY 37 2HA GLY 37 -16.643 7.044 12.090 272 H HIS 38 H HIS 38 -15.032 7.256 9.240 273 HA HIS 38 HA HIS 38 -13.127 9.180 10.259 274 1HB HIS 38 1HB HIS 38 -12.708 7.176 8.658 275 2HB HIS 38 2HB HIS 38 -13.263 8.265 7.387 276 HD1 HIS 38 HD1 HIS 38 -11.403 9.501 6.309 277 HD2 HIS 38 HD2 HIS 38 -10.556 8.669 10.304 278 HE1 HIS 38 HE1 HIS 38 -9.093 10.434 6.760 279 H ALA 39 H ALA 39 -12.459 11.121 8.916 280 HA ALA 39 HA ALA 39 -14.879 12.664 8.213 281 1HB ALA 39 1HB ALA 39 -12.493 13.318 9.470 282 2HB ALA 39 2HB ALA 39 -12.295 13.998 7.855 283 3HB ALA 39 3HB ALA 39 -13.673 14.473 8.849 284 HA PRO 40 HA PRO 40 -14.216 12.664 3.873 285 1HB PRO 40 1HB PRO 40 -14.442 15.320 3.186 286 2HB PRO 40 2HB PRO 40 -15.817 14.307 3.657 287 1HG PRO 40 1HG PRO 40 -14.422 16.428 5.224 288 2HG PRO 40 2HG PRO 40 -16.097 15.864 5.343 289 1HD PRO 40 1HD PRO 40 -13.996 15.164 7.098 290 2HD PRO 40 2HD PRO 40 -15.568 14.347 6.981 291 H LEU 41 H LEU 41 -12.057 12.048 3.500 292 HA LEU 41 HA LEU 41 -9.927 14.096 3.701 293 1HB LEU 41 1HB LEU 41 -10.062 11.199 3.825 294 2HB LEU 41 2HB LEU 41 -8.849 11.721 2.656 295 HG LEU 41 HG LEU 41 -7.913 11.504 4.953 296 1HD1 LEU 41 1HD1 LEU 41 -7.000 13.143 3.305 297 2HD1 LEU 41 2HD1 LEU 41 -8.066 14.374 3.984 298 3HD1 LEU 41 3HD1 LEU 41 -6.788 13.669 4.975 299 1HD2 LEU 41 1HD2 LEU 41 -10.246 12.398 5.877 300 2HD2 LEU 41 2HD2 LEU 41 -8.750 12.674 6.772 301 3HD2 LEU 41 3HD2 LEU 41 -9.427 13.956 5.767 302 H LEU 42 H LEU 42 -8.877 14.941 1.903 303 HA LEU 42 HA LEU 42 -9.633 13.883 -0.773 304 1HB LEU 42 1HB LEU 42 -10.644 16.295 0.341 305 2HB LEU 42 2HB LEU 42 -9.478 16.749 -0.901 306 HG LEU 42 HG LEU 42 -11.535 14.615 -1.439 307 1HD1 LEU 42 1HD1 LEU 42 -12.735 16.642 -0.647 308 2HD1 LEU 42 2HD1 LEU 42 -11.883 17.600 -1.859 309 3HD1 LEU 42 3HD1 LEU 42 -13.013 16.343 -2.363 310 1HD2 LEU 42 1HD2 LEU 42 -9.396 15.390 -2.870 311 2HD2 LEU 42 2HD2 LEU 42 -10.899 14.879 -3.638 312 3HD2 LEU 42 3HD2 LEU 42 -10.550 16.596 -3.441 313 H THR 43 H THR 43 -7.211 13.368 0.408 314 HA THR 43 HA THR 43 -5.362 15.269 -0.977 315 HB THR 43 HB THR 43 -3.703 14.818 0.694 316 HG1 THR 43 HG1 THR 43 -3.694 12.939 1.587 317 1HG2 THR 43 1HG2 THR 43 -6.420 15.583 1.505 318 2HG2 THR 43 2HG2 THR 43 -5.421 15.009 2.840 319 3HG2 THR 43 3HG2 THR 43 -4.880 16.367 1.854 320 H ALA 44 H ALA 44 -3.162 13.281 -0.404 321 HA ALA 44 HA ALA 44 -3.762 11.498 -2.709 322 1HB ALA 44 1HB ALA 44 -1.512 13.032 -2.017 323 2HB ALA 44 2HB ALA 44 -1.037 11.360 -1.720 324 3HB ALA 44 3HB ALA 44 -1.616 11.841 -3.315 325 H ILE 45 H ILE 45 -2.481 9.291 -2.459 326 HA ILE 45 HA ILE 45 -3.346 8.145 0.152 327 HB ILE 45 HB ILE 45 -4.190 7.202 -2.072 328 1HG1 ILE 45 1HG1 ILE 45 -3.367 4.767 -1.241 329 2HG1 ILE 45 2HG1 ILE 45 -2.941 5.715 0.184 330 1HG2 ILE 45 1HG2 ILE 45 -1.538 7.302 -2.772 331 2HG2 ILE 45 2HG2 ILE 45 -1.725 5.604 -2.333 332 3HG2 ILE 45 3HG2 ILE 45 -2.747 6.309 -3.585 333 1HD1 ILE 45 1HD1 ILE 45 -5.556 6.481 -0.798 334 2HD1 ILE 45 2HD1 ILE 45 -5.494 4.746 -0.493 335 3HD1 ILE 45 3HD1 ILE 45 -5.100 5.883 0.797 336 H LYS 46 H LYS 46 -1.884 6.765 1.322 337 HA LYS 46 HA LYS 46 0.918 7.569 1.042 338 1HB LYS 46 1HB LYS 46 -0.757 6.265 3.073 339 2HB LYS 46 2HB LYS 46 0.867 5.589 2.964 340 1HG LYS 46 1HG LYS 46 1.204 7.348 4.458 341 2HG LYS 46 2HG LYS 46 1.607 8.114 2.922 342 1HD LYS 46 1HD LYS 46 -1.117 8.480 3.042 343 2HD LYS 46 2HD LYS 46 -0.651 8.631 4.736 344 1HE LYS 46 1HE LYS 46 0.009 10.737 4.284 345 2HE LYS 46 2HE LYS 46 1.308 10.051 3.309 346 1HZ LYS 46 1HZ LYS 46 -1.374 10.291 2.142 347 2HZ LYS 46 2HZ LYS 46 -0.410 11.681 2.261 348 3HZ LYS 46 3HZ LYS 46 0.145 10.339 1.380 349 HA PRO 47 HA PRO 47 2.063 4.029 -1.345 350 1HB PRO 47 1HB PRO 47 4.782 4.322 -1.074 351 2HB PRO 47 2HB PRO 47 3.793 5.324 -2.151 352 1HG PRO 47 1HG PRO 47 5.026 6.039 0.465 353 2HG PRO 47 2HG PRO 47 4.582 7.090 -0.889 354 1HD PRO 47 1HD PRO 47 3.107 6.746 1.512 355 2HD PRO 47 2HD PRO 47 2.538 7.555 0.036 356 H GLY 48 H GLY 48 3.826 2.152 -1.012 357 1HA GLY 48 1HA GLY 48 4.974 0.714 0.586 358 2HA GLY 48 2HA GLY 48 4.006 1.434 1.873 359 H MET 49 H MET 49 2.697 -0.139 2.681 360 HA MET 49 HA MET 49 1.275 -1.891 0.709 361 1HB MET 49 1HB MET 49 1.179 -3.590 2.528 362 2HB MET 49 2HB MET 49 2.838 -3.192 2.078 363 1HG MET 49 1HG MET 49 3.166 -1.865 4.008 364 2HG MET 49 2HG MET 49 1.435 -1.748 4.325 365 1HE MET 49 1HE MET 49 0.225 -4.366 3.971 366 2HE MET 49 2HE MET 49 0.400 -5.214 5.513 367 3HE MET 49 3HE MET 49 -0.005 -3.500 5.487 368 H ILE 50 H ILE 50 -0.816 -2.836 1.932 369 HA ILE 50 HA ILE 50 -2.040 -0.823 3.707 370 HB ILE 50 HB ILE 50 -2.459 0.074 1.454 371 1HG1 ILE 50 1HG1 ILE 50 -4.780 -1.152 2.953 372 2HG1 ILE 50 2HG1 ILE 50 -4.236 0.524 2.964 373 1HG2 ILE 50 1HG2 ILE 50 -2.457 -2.515 0.634 374 2HG2 ILE 50 2HG2 ILE 50 -4.195 -2.213 0.703 375 3HG2 ILE 50 3HG2 ILE 50 -3.164 -1.202 -0.309 376 1HD1 ILE 50 1HD1 ILE 50 -4.742 0.141 0.301 377 2HD1 ILE 50 2HD1 ILE 50 -5.983 -0.870 1.042 378 3HD1 ILE 50 3HD1 ILE 50 -5.892 0.846 1.440 379 H ARG 51 H ARG 51 -3.362 -1.863 5.137 380 HA ARG 51 HA ARG 51 -4.085 -4.696 4.560 381 1HB ARG 51 1HB ARG 51 -3.212 -3.324 6.905 382 2HB ARG 51 2HB ARG 51 -4.874 -3.843 7.190 383 1HG ARG 51 1HG ARG 51 -4.338 -6.128 6.722 384 2HG ARG 51 2HG ARG 51 -2.755 -5.695 6.077 385 1HD ARG 51 1HD ARG 51 -3.685 -5.725 8.939 386 2HD ARG 51 2HD ARG 51 -2.226 -6.429 8.240 387 HE ARG 51 HE ARG 51 -1.345 -4.099 8.025 388 1HH1 ARG 51 1HH1 ARG 51 -2.763 -5.095 10.814 389 2HH1 ARG 51 2HH1 ARG 51 -3.138 -3.522 11.435 390 1HH2 ARG 51 1HH2 ARG 51 -2.396 -1.886 8.470 391 2HH2 ARG 51 2HH2 ARG 51 -2.927 -1.705 10.108 392 H ILE 52 H ILE 52 -6.347 -5.334 4.723 393 HA ILE 52 HA ILE 52 -8.292 -3.134 5.080 394 HB ILE 52 HB ILE 52 -7.330 -3.792 2.579 395 1HG1 ILE 52 1HG1 ILE 52 -9.997 -2.569 3.296 396 2HG1 ILE 52 2HG1 ILE 52 -8.450 -1.719 3.197 397 1HG2 ILE 52 1HG2 ILE 52 -8.862 -5.915 2.923 398 2HG2 ILE 52 2HG2 ILE 52 -10.157 -4.785 2.535 399 3HG2 ILE 52 3HG2 ILE 52 -8.855 -5.069 1.380 400 1HD1 ILE 52 1HD1 ILE 52 -8.765 -3.231 0.806 401 2HD1 ILE 52 2HD1 ILE 52 -10.257 -2.329 1.069 402 3HD1 ILE 52 3HD1 ILE 52 -8.716 -1.475 0.979 403 H VAL 53 H VAL 53 -10.508 -3.886 5.246 404 HA VAL 53 HA VAL 53 -10.856 -6.805 5.673 405 HB VAL 53 HB VAL 53 -11.415 -4.601 7.663 406 1HG1 VAL 53 1HG1 VAL 53 -12.545 -7.415 7.619 407 2HG1 VAL 53 2HG1 VAL 53 -12.680 -6.289 8.970 408 3HG1 VAL 53 3HG1 VAL 53 -13.467 -5.923 7.435 409 1HG2 VAL 53 1HG2 VAL 53 -9.232 -6.031 7.536 410 2HG2 VAL 53 2HG2 VAL 53 -10.015 -5.821 9.101 411 3HG2 VAL 53 3HG2 VAL 53 -10.237 -7.319 8.198 412 H LYS 54 H LYS 54 -12.252 -7.019 3.933 413 HA LYS 54 HA LYS 54 -14.232 -5.087 3.184 414 1HB LYS 54 1HB LYS 54 -15.111 -6.833 1.723 415 2HB LYS 54 2HB LYS 54 -13.348 -6.863 1.668 416 1HG LYS 54 1HG LYS 54 -13.602 -8.596 3.632 417 2HG LYS 54 2HG LYS 54 -15.232 -8.792 2.988 418 1HD LYS 54 1HD LYS 54 -13.060 -8.796 0.974 419 2HD LYS 54 2HD LYS 54 -13.085 -10.180 2.067 420 1HE LYS 54 1HE LYS 54 -15.273 -10.804 1.415 421 2HE LYS 54 2HE LYS 54 -15.591 -9.233 0.679 422 1HZ LYS 54 1HZ LYS 54 -13.586 -11.194 -0.294 423 2HZ LYS 54 2HZ LYS 54 -15.125 -10.962 -0.970 424 3HZ LYS 54 3HZ LYS 54 -13.977 -9.710 -1.023 425 H GLN 55 H GLN 55 -16.538 -5.206 3.456 426 HA GLN 55 HA GLN 55 -17.543 -5.543 5.996 427 1HB GLN 55 1HB GLN 55 -18.814 -4.635 4.032 428 2HB GLN 55 2HB GLN 55 -19.082 -6.293 3.495 429 1HG GLN 55 1HG GLN 55 -20.763 -6.575 4.966 430 2HG GLN 55 2HG GLN 55 -19.762 -6.001 6.300 431 1HE2 GLN 55 2HE2 GLN 55 -20.830 -4.288 7.298 432 2HE2 GLN 55 1HE2 GLN 55 -21.631 -3.032 6.482 433 H HIS 56 H HIS 56 -17.655 -8.110 3.489 434 HA HIS 56 HA HIS 56 -18.836 -10.159 4.919 435 1HB HIS 56 1HB HIS 56 -17.171 -9.985 2.629 436 2HB HIS 56 2HB HIS 56 -16.499 -11.255 3.652 437 HD1 HIS 56 HD1 HIS 56 -17.600 -13.480 3.426 438 HD2 HIS 56 HD2 HIS 56 -20.161 -10.388 2.305 439 HE1 HIS 56 HE1 HIS 56 -19.728 -14.576 2.601 440 H GLY 57 H GLY 57 -15.342 -9.358 5.040 441 1HA GLY 57 1HA GLY 57 -14.674 -9.379 7.602 442 2HA GLY 57 2HA GLY 57 -15.113 -11.082 7.452 443 H HIS 58 H HIS 58 -14.108 -11.486 4.795 444 HA HIS 58 HA HIS 58 -11.476 -12.288 5.259 445 1HB HIS 58 1HB HIS 58 -13.183 -11.946 2.940 446 2HB HIS 58 2HB HIS 58 -11.518 -11.506 2.553 447 HD1 HIS 58 HD1 HIS 58 -9.936 -13.471 4.235 448 HD2 HIS 58 HD2 HIS 58 -13.342 -14.586 2.103 449 HE1 HIS 58 HE1 HIS 58 -9.772 -15.973 3.880 450 H GLU 59 H GLU 59 -9.575 -11.205 5.508 451 HA GLU 59 HA GLU 59 -9.575 -8.280 4.912 452 1HB GLU 59 1HB GLU 59 -7.416 -8.453 6.394 453 2HB GLU 59 2HB GLU 59 -8.999 -8.512 7.170 454 1HG GLU 59 1HG GLU 59 -8.841 -10.763 7.645 455 2HG GLU 59 2HG GLU 59 -7.823 -11.094 6.242 456 H GLU 60 H GLU 60 -8.420 -7.638 3.156 457 HA GLU 60 HA GLU 60 -6.192 -9.414 2.240 458 1HB GLU 60 1HB GLU 60 -8.541 -8.779 0.852 459 2HB GLU 60 2HB GLU 60 -7.309 -7.730 0.148 460 1HG GLU 60 1HG GLU 60 -6.636 -10.610 0.628 461 2HG GLU 60 2HG GLU 60 -7.647 -10.197 -0.758 462 H PHE 61 H PHE 61 -4.290 -8.354 1.582 463 HA PHE 61 HA PHE 61 -4.235 -5.420 2.161 464 1HB PHE 61 1HB PHE 61 -1.661 -6.000 2.394 465 2HB PHE 61 2HB PHE 61 -2.767 -6.299 3.737 466 HD1 PHE 61 HD1 PHE 61 -3.547 -8.577 4.246 467 HD2 PHE 61 HD2 PHE 61 -0.741 -7.819 1.087 468 HE1 PHE 61 HE1 PHE 61 -2.999 -10.994 4.156 469 HE2 PHE 61 HE2 PHE 61 -0.188 -10.236 0.996 470 HZ PHE 61 HZ PHE 61 -1.318 -11.823 2.531 471 H ILE 62 H ILE 62 -3.476 -4.079 0.564 472 HA ILE 62 HA ILE 62 -2.567 -5.397 -1.958 473 HB ILE 62 HB ILE 62 -3.430 -2.530 -1.879 474 1HG1 ILE 62 1HG1 ILE 62 -5.119 -3.846 -0.542 475 2HG1 ILE 62 2HG1 ILE 62 -5.775 -3.137 -2.018 476 1HG2 ILE 62 1HG2 ILE 62 -2.780 -4.468 -3.831 477 2HG2 ILE 62 2HG2 ILE 62 -4.520 -4.208 -3.964 478 3HG2 ILE 62 3HG2 ILE 62 -3.411 -2.845 -4.110 479 1HD1 ILE 62 1HD1 ILE 62 -4.794 -5.994 -1.744 480 2HD1 ILE 62 2HD1 ILE 62 -6.486 -5.498 -1.743 481 3HD1 ILE 62 3HD1 ILE 62 -5.503 -5.278 -3.191 482 H TYR 63 H TYR 63 -1.522 -2.901 -3.046 483 HA TYR 63 HA TYR 63 0.483 -1.848 -1.244 484 1HB TYR 63 1HB TYR 63 1.675 -3.859 -1.442 485 2HB TYR 63 2HB TYR 63 1.184 -4.098 -3.116 486 HD1 TYR 63 HD1 TYR 63 2.272 -2.868 -4.942 487 HD2 TYR 63 HD2 TYR 63 3.519 -2.375 -0.863 488 HE1 TYR 63 HE1 TYR 63 4.351 -1.760 -5.713 489 HE2 TYR 63 HE2 TYR 63 5.599 -1.264 -1.633 490 HH TYR 63 HH TYR 63 7.005 -1.395 -3.935 491 H LEU 64 H LEU 64 0.876 0.161 -2.012 492 HA LEU 64 HA LEU 64 0.781 0.592 -4.969 493 1HB LEU 64 1HB LEU 64 -0.183 2.607 -2.926 494 2HB LEU 64 2HB LEU 64 -0.416 2.643 -4.674 495 HG LEU 64 HG LEU 64 -1.432 0.218 -3.314 496 1HD1 LEU 64 1HD1 LEU 64 -2.005 2.728 -2.166 497 2HD1 LEU 64 2HD1 LEU 64 -3.426 2.306 -3.121 498 3HD1 LEU 64 3HD1 LEU 64 -2.847 1.208 -1.869 499 1HD2 LEU 64 1HD2 LEU 64 -1.692 1.454 -5.786 500 2HD2 LEU 64 2HD2 LEU 64 -2.716 0.151 -5.182 501 3HD2 LEU 64 3HD2 LEU 64 -3.220 1.830 -4.989 502 H SER 65 H SER 65 1.783 2.957 -5.358 503 HA SER 65 HA SER 65 4.142 3.273 -3.553 504 1HB SER 65 1HB SER 65 4.116 2.507 -6.366 505 2HB SER 65 2HB SER 65 5.055 3.971 -6.096 506 HG SER 65 HG SER 65 6.504 2.504 -5.564 507 H GLY 66 H GLY 66 1.443 4.718 -4.526 508 1HA GLY 66 1HA GLY 66 1.584 7.201 -3.691 509 2HA GLY 66 2HA GLY 66 2.689 7.373 -5.054 510 H GLY 67 H GLY 67 -0.056 8.536 -4.513 511 1HA GLY 67 1HA GLY 67 -1.037 8.634 -7.145 512 2HA GLY 67 2HA GLY 67 -1.920 7.331 -6.346 513 H ILE 68 H ILE 68 -3.880 8.621 -6.521 514 HA ILE 68 HA ILE 68 -4.027 10.693 -4.379 515 HB ILE 68 HB ILE 68 -5.498 10.912 -7.016 516 1HG1 ILE 68 1HG1 ILE 68 -3.017 12.440 -6.181 517 2HG1 ILE 68 2HG1 ILE 68 -2.967 11.032 -7.242 518 1HG2 ILE 68 1HG2 ILE 68 -5.447 12.367 -4.476 519 2HG2 ILE 68 2HG2 ILE 68 -5.158 13.415 -5.865 520 3HG2 ILE 68 3HG2 ILE 68 -6.626 12.441 -5.786 521 1HD1 ILE 68 1HD1 ILE 68 -4.885 13.224 -7.915 522 2HD1 ILE 68 2HD1 ILE 68 -3.171 13.495 -8.234 523 3HD1 ILE 68 3HD1 ILE 68 -4.003 12.137 -8.988 524 H LEU 69 H LEU 69 -5.756 10.401 -3.030 525 HA LEU 69 HA LEU 69 -7.772 8.353 -3.854 526 1HB LEU 69 1HB LEU 69 -7.956 7.686 -1.577 527 2HB LEU 69 2HB LEU 69 -6.226 7.868 -1.860 528 HG LEU 69 HG LEU 69 -7.037 10.421 -1.100 529 1HD1 LEU 69 1HD1 LEU 69 -8.776 8.344 0.095 530 2HD1 LEU 69 2HD1 LEU 69 -8.061 9.476 1.243 531 3HD1 LEU 69 3HD1 LEU 69 -9.053 10.076 -0.086 532 1HD2 LEU 69 1HD2 LEU 69 -5.036 8.845 -0.458 533 2HD2 LEU 69 2HD2 LEU 69 -5.559 10.081 0.686 534 3HD2 LEU 69 3HD2 LEU 69 -6.061 8.405 0.909 535 H GLU 70 H GLU 70 -9.731 8.811 -2.011 536 HA GLU 70 HA GLU 70 -10.419 11.527 -1.515 537 1HB GLU 70 1HB GLU 70 -12.075 11.917 -3.298 538 2HB GLU 70 2HB GLU 70 -10.467 11.692 -3.987 539 1HG GLU 70 1HG GLU 70 -10.977 9.604 -4.854 540 2HG GLU 70 2HG GLU 70 -12.211 9.285 -3.634 541 H VAL 71 H VAL 71 -12.468 11.658 -0.463 542 HA VAL 71 HA VAL 71 -13.604 8.989 0.200 543 HB VAL 71 HB VAL 71 -12.876 10.421 2.087 544 1HG1 VAL 71 1HG1 VAL 71 -14.136 12.441 0.517 545 2HG1 VAL 71 2HG1 VAL 71 -15.007 12.338 2.047 546 3HG1 VAL 71 3HG1 VAL 71 -13.269 12.637 2.040 547 1HG2 VAL 71 1HG2 VAL 71 -14.924 8.862 2.162 548 2HG2 VAL 71 2HG2 VAL 71 -14.825 10.098 3.417 549 3HG2 VAL 71 3HG2 VAL 71 -15.898 10.326 2.037 550 H GLN 72 H GLN 72 -15.742 8.515 -0.169 551 HA GLN 72 HA GLN 72 -17.391 10.609 -1.523 552 1HB GLN 72 1HB GLN 72 -17.370 7.648 -2.193 553 2HB GLN 72 2HB GLN 72 -18.249 8.919 -3.043 554 1HG GLN 72 1HG GLN 72 -15.939 10.009 -3.418 555 2HG GLN 72 2HG GLN 72 -15.273 8.441 -2.962 556 1HE2 GLN 72 2HE2 GLN 72 -17.499 9.987 -5.315 557 2HE2 GLN 72 1HE2 GLN 72 -17.312 8.795 -6.510 558 HA PRO 73 HA PRO 73 -20.493 9.515 1.375 559 1HB PRO 73 1HB PRO 73 -22.764 9.938 -0.121 560 2HB PRO 73 2HB PRO 73 -21.767 11.243 0.547 561 1HG PRO 73 1HG PRO 73 -21.948 10.270 -2.270 562 2HG PRO 73 2HG PRO 73 -21.537 11.882 -1.665 563 1HD PRO 73 1HD PRO 73 -19.694 9.972 -2.608 564 2HD PRO 73 2HD PRO 73 -19.289 11.409 -1.644 565 H GLY 74 H GLY 74 -20.062 7.223 1.547 566 1HA GLY 74 1HA GLY 74 -21.340 5.141 1.668 567 2HA GLY 74 2HA GLY 74 -22.072 5.548 0.116 568 H ASN 75 H ASN 75 -18.800 6.316 0.042 569 HA ASN 75 HA ASN 75 -17.626 3.744 -0.437 570 1HB ASN 75 1HB ASN 75 -17.407 4.387 -3.045 571 2HB ASN 75 2HB ASN 75 -18.699 3.357 -2.429 572 1HD2 ASN 75 2HD2 ASN 75 -20.858 4.235 -2.356 573 2HD2 ASN 75 1HD2 ASN 75 -21.251 5.735 -3.044 574 H VAL 76 H VAL 76 -15.603 4.185 -2.067 575 HA VAL 76 HA VAL 76 -14.506 6.896 -1.837 576 HB VAL 76 HB VAL 76 -12.552 6.232 -0.500 577 1HG1 VAL 76 1HG1 VAL 76 -14.590 7.104 0.639 578 2HG1 VAL 76 2HG1 VAL 76 -15.141 5.444 0.869 579 3HG1 VAL 76 3HG1 VAL 76 -13.667 6.002 1.662 580 1HG2 VAL 76 1HG2 VAL 76 -12.774 3.777 -1.261 581 2HG2 VAL 76 2HG2 VAL 76 -12.286 4.054 0.411 582 3HG2 VAL 76 3HG2 VAL 76 -13.953 3.608 0.039 583 H THR 77 H THR 77 -12.620 7.119 -3.207 584 HA THR 77 HA THR 77 -11.904 4.673 -4.767 585 HB THR 77 HB THR 77 -11.784 6.782 -6.600 586 HG1 THR 77 HG1 THR 77 -13.962 7.569 -6.440 587 1HG2 THR 77 1HG2 THR 77 -13.721 4.528 -6.096 588 2HG2 THR 77 2HG2 THR 77 -13.903 5.599 -7.485 589 3HG2 THR 77 3HG2 THR 77 -12.442 4.627 -7.307 590 H VAL 78 H VAL 78 -9.869 5.091 -6.095 591 HA VAL 78 HA VAL 78 -8.123 7.279 -5.484 592 HB VAL 78 HB VAL 78 -7.908 6.441 -3.270 593 1HG1 VAL 78 1HG1 VAL 78 -8.493 3.928 -4.565 594 2HG1 VAL 78 2HG1 VAL 78 -7.065 3.756 -3.544 595 3HG1 VAL 78 3HG1 VAL 78 -8.581 4.335 -2.851 596 1HG2 VAL 78 1HG2 VAL 78 -5.739 6.893 -4.379 597 2HG2 VAL 78 2HG2 VAL 78 -5.593 5.607 -3.182 598 3HG2 VAL 78 3HG2 VAL 78 -5.662 5.210 -4.899 599 H LEU 79 H LEU 79 -6.906 7.317 -7.312 600 HA LEU 79 HA LEU 79 -6.219 4.698 -8.582 601 1HB LEU 79 1HB LEU 79 -6.654 7.452 -9.759 602 2HB LEU 79 2HB LEU 79 -5.897 6.141 -10.665 603 HG LEU 79 HG LEU 79 -8.291 5.168 -9.390 604 1HD1 LEU 79 1HD1 LEU 79 -8.462 7.895 -10.192 605 2HD1 LEU 79 2HD1 LEU 79 -9.346 6.942 -11.384 606 3HD1 LEU 79 3HD1 LEU 79 -9.774 6.835 -9.675 607 1HD2 LEU 79 1HD2 LEU 79 -6.857 4.698 -11.665 608 2HD2 LEU 79 2HD2 LEU 79 -8.504 4.120 -11.408 609 3HD2 LEU 79 3HD2 LEU 79 -8.223 5.604 -12.319 610 H ALA 80 H ALA 80 -4.069 4.288 -9.091 611 HA ALA 80 HA ALA 80 -2.100 6.418 -8.365 612 1HB ALA 80 1HB ALA 80 -2.495 3.927 -7.065 613 2HB ALA 80 2HB ALA 80 -0.995 3.786 -7.984 614 3HB ALA 80 3HB ALA 80 -1.186 5.080 -6.802 615 H ASP 81 H ASP 81 0.196 5.533 -9.258 616 HA ASP 81 HA ASP 81 -0.304 4.985 -12.138 617 1HB ASP 81 1HB ASP 81 1.097 6.966 -11.412 618 2HB ASP 81 2HB ASP 81 2.294 5.813 -10.818 619 H THR 82 H THR 82 0.390 3.256 -9.393 620 HA THR 82 HA THR 82 1.378 0.993 -10.978 621 HB THR 82 HB THR 82 3.036 2.411 -8.896 622 HG1 THR 82 HG1 THR 82 3.445 1.303 -11.466 623 1HG2 THR 82 1HG2 THR 82 2.806 -0.510 -9.393 624 2HG2 THR 82 2HG2 THR 82 4.437 0.144 -9.230 625 3HG2 THR 82 3HG2 THR 82 3.267 0.347 -7.925 626 H ALA 83 H ALA 83 0.830 -0.980 -9.990 627 HA ALA 83 HA ALA 83 -0.185 -0.930 -7.205 628 1HB ALA 83 1HB ALA 83 -1.945 -0.702 -9.350 629 2HB ALA 83 2HB ALA 83 -1.983 -2.422 -8.959 630 3HB ALA 83 3HB ALA 83 -2.366 -1.228 -7.720 631 H ILE 84 H ILE 84 1.388 -2.398 -6.536 632 HA ILE 84 HA ILE 84 1.417 -5.038 -7.945 633 HB ILE 84 HB ILE 84 3.570 -3.506 -6.483 634 1HG1 ILE 84 1HG1 ILE 84 4.781 -4.417 -8.627 635 2HG1 ILE 84 2HG1 ILE 84 3.139 -4.664 -9.224 636 1HG2 ILE 84 1HG2 ILE 84 3.204 -6.447 -6.717 637 2HG2 ILE 84 2HG2 ILE 84 4.811 -5.830 -7.106 638 3HG2 ILE 84 3HG2 ILE 84 4.105 -5.517 -5.520 639 1HD1 ILE 84 1HD1 ILE 84 3.651 -2.035 -7.961 640 2HD1 ILE 84 2HD1 ILE 84 4.489 -2.320 -9.486 641 3HD1 ILE 84 3HD1 ILE 84 2.731 -2.428 -9.413 642 H ARG 85 H ARG 85 -0.415 -5.742 -6.653 643 HA ARG 85 HA ARG 85 -0.770 -5.657 -3.911 644 1HB ARG 85 1HB ARG 85 -2.044 -6.973 -5.863 645 2HB ARG 85 2HB ARG 85 -1.145 -8.331 -5.183 646 1HG ARG 85 1HG ARG 85 -2.048 -7.155 -2.904 647 2HG ARG 85 2HG ARG 85 -3.365 -6.761 -4.009 648 1HD ARG 85 1HD ARG 85 -2.240 -9.552 -3.648 649 2HD ARG 85 2HD ARG 85 -3.674 -8.952 -2.817 650 HE ARG 85 HE ARG 85 -4.191 -8.472 -5.504 651 1HH1 ARG 85 1HH1 ARG 85 -4.191 -10.976 -3.225 652 2HH1 ARG 85 2HH1 ARG 85 -4.609 -12.222 -4.352 653 1HH2 ARG 85 1HH2 ARG 85 -4.347 -10.161 -7.131 654 2HH2 ARG 85 2HH2 ARG 85 -4.696 -11.761 -6.565 655 H GLY 86 H GLY 86 -0.305 -7.383 -2.252 656 1HA GLY 86 1HA GLY 86 2.427 -7.721 -1.783 657 2HA GLY 86 2HA GLY 86 1.194 -8.768 -1.082 658 H GLN 87 H GLN 87 0.289 -10.414 -2.817 659 HA GLN 87 HA GLN 87 2.673 -11.775 -3.931 660 1HB GLN 87 1HB GLN 87 1.165 -13.709 -4.188 661 2HB GLN 87 2HB GLN 87 1.121 -13.089 -2.539 662 1HG GLN 87 1HG GLN 87 -1.089 -12.717 -2.705 663 2HG GLN 87 2HG GLN 87 -0.831 -11.689 -4.114 664 1HE2 GLN 87 2HE2 GLN 87 -3.109 -13.366 -4.026 665 2HE2 GLN 87 1HE2 GLN 87 -2.929 -14.609 -5.167 666 H ASP 88 H ASP 88 1.763 -9.417 -5.285 667 HA ASP 88 HA ASP 88 0.043 -9.753 -7.457 668 1HB ASP 88 1HB ASP 88 1.210 -7.632 -6.953 669 2HB ASP 88 2HB ASP 88 2.733 -8.347 -7.485 670 H LEU 89 H LEU 89 3.512 -10.606 -7.329 671 HA LEU 89 HA LEU 89 3.154 -12.958 -8.943 672 1HB LEU 89 1HB LEU 89 3.089 -10.692 -10.483 673 2HB LEU 89 2HB LEU 89 4.810 -11.076 -10.506 674 HG LEU 89 HG LEU 89 3.123 -13.443 -10.849 675 1HD1 LEU 89 1HD1 LEU 89 1.842 -11.470 -11.983 676 2HD1 LEU 89 2HD1 LEU 89 3.140 -11.532 -13.175 677 3HD1 LEU 89 3HD1 LEU 89 2.117 -12.943 -12.909 678 1HD2 LEU 89 1HD2 LEU 89 5.548 -12.164 -12.042 679 2HD2 LEU 89 2HD2 LEU 89 5.331 -13.806 -11.434 680 3HD2 LEU 89 3HD2 LEU 89 4.691 -13.359 -13.015 681 H ASP 90 H ASP 90 5.609 -10.379 -8.530 682 HA ASP 90 HA ASP 90 7.719 -12.364 -8.134 683 1HB ASP 90 1HB ASP 90 7.523 -9.427 -8.397 684 2HB ASP 90 2HB ASP 90 8.807 -9.987 -7.324 685 H GLU 91 H GLU 91 7.640 -13.493 -6.232 686 HA GLU 91 HA GLU 91 6.898 -12.028 -3.746 687 1HB GLU 91 1HB GLU 91 7.118 -14.989 -4.364 688 2HB GLU 91 2HB GLU 91 6.761 -14.342 -2.762 689 1HG GLU 91 1HG GLU 91 4.767 -13.199 -3.667 690 2HG GLU 91 2HG GLU 91 5.119 -13.856 -5.266 691 H ALA 92 H ALA 92 9.149 -14.727 -4.417 692 HA ALA 92 HA ALA 92 11.017 -13.637 -2.422 693 1HB ALA 92 1HB ALA 92 11.042 -16.122 -4.151 694 2HB ALA 92 2HB ALA 92 12.368 -15.692 -3.070 695 3HB ALA 92 3HB ALA 92 10.765 -16.025 -2.412 696 H ARG 93 H ARG 93 10.556 -13.481 -5.828 697 HA ARG 93 HA ARG 93 13.366 -12.944 -6.461 698 1HB ARG 93 1HB ARG 93 10.923 -12.392 -8.165 699 2HB ARG 93 2HB ARG 93 12.589 -12.569 -8.714 700 1HG ARG 93 1HG ARG 93 11.301 -14.810 -7.187 701 2HG ARG 93 2HG ARG 93 10.933 -14.606 -8.901 702 1HD ARG 93 1HD ARG 93 13.126 -15.032 -9.563 703 2HD ARG 93 2HD ARG 93 13.797 -14.551 -8.004 704 HE ARG 93 HE ARG 93 12.623 -16.726 -7.161 705 1HH1 ARG 93 1HH1 ARG 93 14.698 -16.223 -9.794 706 2HH1 ARG 93 2HH1 ARG 93 14.679 -17.870 -10.329 707 1HH2 ARG 93 1HH2 ARG 93 12.247 -18.857 -8.064 708 2HH2 ARG 93 2HH2 ARG 93 13.292 -19.361 -9.350 709 H ALA 94 H ALA 94 11.055 -11.188 -4.870 710 HA ALA 94 HA ALA 94 11.730 -8.587 -6.101 711 1HB ALA 94 1HB ALA 94 9.399 -9.083 -5.319 712 2HB ALA 94 2HB ALA 94 10.014 -9.172 -3.669 713 3HB ALA 94 3HB ALA 94 10.095 -7.652 -4.559 714 H MET 95 H MET 95 12.772 -10.624 -3.537 715 HA MET 95 HA MET 95 13.827 -8.594 -1.778 716 1HB MET 95 1HB MET 95 13.833 -11.496 -1.963 717 2HB MET 95 2HB MET 95 15.420 -10.886 -1.493 718 1HG MET 95 1HG MET 95 13.416 -9.403 -0.077 719 2HG MET 95 2HG MET 95 13.095 -11.125 0.129 720 1HE MET 95 1HE MET 95 13.275 -11.321 2.203 721 2HE MET 95 2HE MET 95 14.753 -11.624 3.127 722 3HE MET 95 3HE MET 95 14.047 -10.009 3.089 723 H GLU 96 H GLU 96 15.140 -10.392 -4.536 724 HA GLU 96 HA GLU 96 17.848 -9.751 -4.371 725 1HB GLU 96 1HB GLU 96 16.161 -10.777 -6.338 726 2HB GLU 96 2HB GLU 96 16.829 -9.319 -7.074 727 1HG GLU 96 1HG GLU 96 18.789 -10.366 -7.408 728 2HG GLU 96 2HG GLU 96 18.933 -10.671 -5.676 729 H ALA 97 H ALA 97 15.161 -7.661 -5.322 730 HA ALA 97 HA ALA 97 16.731 -5.481 -6.310 731 1HB ALA 97 1HB ALA 97 14.016 -6.009 -5.992 732 2HB ALA 97 2HB ALA 97 14.308 -4.658 -4.897 733 3HB ALA 97 3HB ALA 97 14.710 -4.509 -6.608 734 H LYS 98 H LYS 98 15.238 -5.958 -3.087 735 HA LYS 98 HA LYS 98 16.350 -3.689 -1.833 736 1HB LYS 98 1HB LYS 98 14.633 -5.285 -0.863 737 2HB LYS 98 2HB LYS 98 15.964 -6.384 -0.504 738 1HG LYS 98 1HG LYS 98 16.426 -3.612 0.380 739 2HG LYS 98 2HG LYS 98 15.077 -4.411 1.190 740 1HD LYS 98 1HD LYS 98 17.179 -6.313 1.026 741 2HD LYS 98 2HD LYS 98 17.896 -4.806 1.598 742 1HE LYS 98 1HE LYS 98 15.300 -5.701 2.795 743 2HE LYS 98 2HE LYS 98 16.788 -6.497 3.310 744 1HZ LYS 98 1HZ LYS 98 17.577 -3.998 3.456 745 2HZ LYS 98 2HZ LYS 98 15.916 -3.738 3.705 746 3HZ LYS 98 3HZ LYS 98 16.786 -4.763 4.745 747 H ARG 99 H ARG 99 17.863 -6.654 -2.827 748 HA ARG 99 HA ARG 99 20.172 -6.428 -1.075 749 1HB ARG 99 1HB ARG 99 19.414 -8.106 -3.435 750 2HB ARG 99 2HB ARG 99 21.120 -8.001 -3.001 751 1HG ARG 99 1HG ARG 99 18.944 -8.688 -1.010 752 2HG ARG 99 2HG ARG 99 19.865 -9.904 -1.895 753 1HD ARG 99 1HD ARG 99 21.393 -9.768 -0.238 754 2HD ARG 99 2HD ARG 99 21.824 -8.194 -0.904 755 HE ARG 99 HE ARG 99 20.368 -7.155 0.769 756 1HH1 ARG 99 1HH2 ARG 99 22.214 -8.946 2.359 757 2HH1 ARG 99 2HH2 ARG 99 21.098 -9.750 3.411 758 1HH2 ARG 99 1HH1 ARG 99 18.306 -8.886 1.546 759 2HH2 ARG 99 2HH1 ARG 99 18.886 -9.717 2.952 760 H LYS 100 H LYS 100 19.872 -6.021 -4.630 761 HA LYS 100 HA LYS 100 22.408 -4.718 -4.902 762 1HB LYS 100 1HB LYS 100 19.958 -4.967 -6.620 763 2HB LYS 100 2HB LYS 100 21.220 -3.822 -7.080 764 1HG LYS 100 1HG LYS 100 22.668 -6.085 -6.424 765 2HG LYS 100 2HG LYS 100 21.231 -6.754 -7.198 766 1HD LYS 100 1HD LYS 100 22.887 -4.517 -8.393 767 2HD LYS 100 2HD LYS 100 23.111 -6.219 -8.797 768 1HE LYS 100 1HE LYS 100 21.167 -6.332 -10.002 769 2HE LYS 100 2HE LYS 100 20.329 -5.190 -8.952 770 1HZ LYS 100 1HZ LYS 100 22.356 -3.758 -10.138 771 2HZ LYS 100 2HZ LYS 100 21.706 -4.704 -11.386 772 3HZ LYS 100 3HZ LYS 100 20.697 -3.666 -10.497 773 H ALA 101 H ALA 101 19.472 -3.621 -3.584 774 HA ALA 101 HA ALA 101 19.945 -0.785 -4.240 775 1HB ALA 101 1HB ALA 101 17.635 -1.943 -3.951 776 2HB ALA 101 2HB ALA 101 17.951 -1.808 -2.220 777 3HB ALA 101 3HB ALA 101 17.861 -0.356 -3.216 778 H GLU 102 H GLU 102 20.260 -2.990 -1.490 779 HA GLU 102 HA GLU 102 20.825 -1.091 0.536 780 1HB GLU 102 1HB GLU 102 20.484 -3.445 1.069 781 2HB GLU 102 2HB GLU 102 21.918 -3.893 0.143 782 1HG GLU 102 1HG GLU 102 23.246 -3.479 1.911 783 2HG GLU 102 2HG GLU 102 22.601 -1.844 2.055 784 H GLU 103 H GLU 103 22.645 -1.951 -2.247 785 HA GLU 103 HA GLU 103 25.285 -1.386 -1.251 786 1HB GLU 103 1HB GLU 103 24.264 -2.344 -3.616 787 2HB GLU 103 2HB GLU 103 24.777 -0.719 -4.075 788 1HG GLU 103 1HG GLU 103 26.940 -1.414 -2.666 789 2HG GLU 103 2HG GLU 103 26.416 -3.031 -3.136 790 H HIS 104 H HIS 104 23.110 0.628 -3.276 791 HA HIS 104 HA HIS 104 24.712 3.009 -2.821 792 1HB HIS 104 1HB HIS 104 22.762 2.278 -4.646 793 2HB HIS 104 2HB HIS 104 21.930 3.459 -3.634 794 HD1 HIS 104 HD1 HIS 104 22.006 5.443 -5.236 795 HD2 HIS 104 HD2 HIS 104 25.767 3.774 -4.558 796 HE1 HIS 104 HE1 HIS 104 23.691 7.032 -6.261 797 H ILE 105 H ILE 105 22.411 1.346 -0.963 798 HA ILE 105 HA ILE 105 21.241 3.655 0.371 799 HB ILE 105 HB ILE 105 21.315 0.698 1.008 800 1HG1 ILE 105 1HG1 ILE 105 19.898 1.630 -0.894 801 2HG1 ILE 105 2HG1 ILE 105 19.006 0.752 0.350 802 1HG2 ILE 105 1HG2 ILE 105 19.974 2.952 2.531 803 2HG2 ILE 105 2HG2 ILE 105 19.658 1.238 2.796 804 3HG2 ILE 105 3HG2 ILE 105 21.257 1.902 3.132 805 1HD1 ILE 105 1HD1 ILE 105 19.377 3.746 0.491 806 2HD1 ILE 105 2HD1 ILE 105 18.037 3.021 -0.399 807 3HD1 ILE 105 3HD1 ILE 105 18.194 2.749 1.337 808 H SER 106 H SER 106 24.287 2.215 0.486 809 HA SER 106 HA SER 106 25.054 2.136 3.154 810 1HB SER 106 1HB SER 106 26.396 2.161 0.739 811 2HB SER 106 2HB SER 106 26.969 3.638 1.510 812 HG SER 106 HG SER 106 28.022 1.466 1.979 813 H SER 107 H SER 107 25.496 5.084 1.159 814 HA SER 107 HA SER 107 24.130 6.926 2.718 815 1HB SER 107 1HB SER 107 25.183 6.792 4.728 816 2HB SER 107 2HB SER 107 26.569 5.945 4.046 817 HG SER 107 HG SER 107 27.571 7.784 3.880 818 H SER 108 H SER 108 25.102 9.215 2.499 819 HA SER 108 HA SER 108 27.138 9.467 0.376 820 1HB SER 108 1HB SER 108 24.224 10.003 -0.006 821 2HB SER 108 2HB SER 108 25.366 11.123 -0.742 822 HG SER 108 HG SER 108 24.627 8.772 -1.637 823 H HIS 109 H HIS 109 24.668 11.257 2.247 824 HA HIS 109 HA HIS 109 26.552 12.872 3.639 825 1HB HIS 109 1HB HIS 109 27.093 13.884 1.507 826 2HB HIS 109 2HB HIS 109 25.386 14.113 1.131 827 HD1 HIS 109 HD1 HIS 109 24.961 16.567 1.294 828 HD2 HIS 109 HD2 HIS 109 27.332 15.206 4.440 829 HE1 HIS 109 HE1 HIS 109 25.307 18.545 2.838 830 H GLY 110 H GLY 110 23.551 13.861 1.961 831 1HA GLY 110 1HA GLY 110 21.645 13.310 3.892 832 2HA GLY 110 2HA GLY 110 22.396 14.801 4.462 833 H ASP 111 H ASP 111 20.366 15.917 4.088 834 HA ASP 111 HA ASP 111 18.897 17.224 2.816 835 1HB ASP 111 1HB ASP 111 21.189 17.050 0.835 836 2HB ASP 111 2HB ASP 111 19.847 18.192 0.739 837 H VAL 112 H VAL 112 20.030 16.083 -0.256 838 HA VAL 112 HA VAL 112 17.661 14.264 -0.391 839 HB VAL 112 HB VAL 112 17.276 14.947 -2.644 840 1HG1 VAL 112 1HG1 VAL 112 16.714 16.601 -0.757 841 2HG1 VAL 112 2HG1 VAL 112 18.126 17.513 -1.293 842 3HG1 VAL 112 3HG1 VAL 112 16.772 17.257 -2.393 843 1HG2 VAL 112 1HG2 VAL 112 20.108 15.577 -2.531 844 2HG2 VAL 112 2HG2 VAL 112 19.080 15.335 -3.943 845 3HG2 VAL 112 3HG2 VAL 112 19.195 16.930 -3.200 846 H ASP 113 H ASP 113 21.039 14.584 -0.726 847 HA ASP 113 HA ASP 113 21.783 12.755 -2.691 848 1HB ASP 113 1HB ASP 113 22.908 13.324 0.051 849 2HB ASP 113 2HB ASP 113 23.669 12.146 -1.022 850 H TYR 114 H TYR 114 22.316 11.410 0.485 851 HA TYR 114 HA TYR 114 21.229 8.848 -0.360 852 1HB TYR 114 1HB TYR 114 23.071 8.694 1.126 853 2HB TYR 114 2HB TYR 114 22.407 9.914 2.212 854 HD1 TYR 114 HD1 TYR 114 21.439 6.588 0.751 855 HD2 TYR 114 HD2 TYR 114 21.414 9.177 4.177 856 HE1 TYR 114 HE1 TYR 114 20.341 4.809 2.087 857 HE2 TYR 114 HE2 TYR 114 20.317 7.399 5.514 858 HH TYR 114 HH TYR 114 19.894 5.125 5.548 859 H ALA 115 H ALA 115 20.063 11.658 1.258 860 HA ALA 115 HA ALA 115 17.899 10.545 2.748 861 1HB ALA 115 1HB ALA 115 18.866 13.144 2.019 862 2HB ALA 115 2HB ALA 115 17.133 13.081 1.690 863 3HB ALA 115 3HB ALA 115 17.736 12.721 3.308 864 H GLN 116 H GLN 116 18.392 10.990 -0.646 865 HA GLN 116 HA GLN 116 15.527 10.858 -1.298 866 1HB GLN 116 1HB GLN 116 18.073 11.009 -2.904 867 2HB GLN 116 2HB GLN 116 16.543 10.602 -3.684 868 1HG GLN 116 1HG GLN 116 16.714 12.999 -1.873 869 2HG GLN 116 2HG GLN 116 17.261 13.115 -3.546 870 1HE2 GLN 116 2HE2 GLN 116 14.929 14.526 -2.523 871 2HE2 GLN 116 1HE2 GLN 116 13.569 13.912 -3.333 872 H ALA 117 H ALA 117 18.389 8.785 -1.880 873 HA ALA 117 HA ALA 117 16.755 6.552 -2.765 874 1HB ALA 117 1HB ALA 117 19.274 7.093 -3.264 875 2HB ALA 117 2HB ALA 117 19.565 6.243 -1.746 876 3HB ALA 117 3HB ALA 117 18.771 5.412 -3.083 877 H SER 118 H SER 118 17.150 7.879 0.247 878 HA SER 118 HA SER 118 17.254 5.315 1.712 879 1HB SER 118 1HB SER 118 18.457 7.205 2.679 880 2HB SER 118 2HB SER 118 16.991 8.181 2.668 881 HG SER 118 HG SER 118 17.063 7.352 4.678 882 H ALA 119 H ALA 119 14.933 7.862 0.903 883 HA ALA 119 HA ALA 119 12.825 6.508 2.467 884 1HB ALA 119 1HB ALA 119 13.158 9.141 1.147 885 2HB ALA 119 2HB ALA 119 11.522 8.481 1.134 886 3HB ALA 119 3HB ALA 119 12.359 8.734 2.666 887 H GLU 120 H GLU 120 13.874 6.859 -0.864 888 HA GLU 120 HA GLU 120 11.391 5.738 -1.946 889 1HB GLU 120 1HB GLU 120 12.522 5.842 -4.100 890 2HB GLU 120 2HB GLU 120 12.812 7.349 -3.230 891 1HG GLU 120 1HG GLU 120 15.030 7.001 -3.282 892 2HG GLU 120 2HG GLU 120 14.832 5.425 -2.513 893 H LEU 121 H LEU 121 14.103 4.462 -0.400 894 HA LEU 121 HA LEU 121 14.157 1.943 -1.923 895 1HB LEU 121 1HB LEU 121 15.945 3.280 -0.199 896 2HB LEU 121 2HB LEU 121 15.484 1.800 0.641 897 HG LEU 121 HG LEU 121 17.396 1.292 -0.748 898 1HD1 LEU 121 1HD1 LEU 121 14.813 0.096 -1.104 899 2HD1 LEU 121 2HD1 LEU 121 15.673 0.046 -2.642 900 3HD1 LEU 121 3HD1 LEU 121 16.398 -0.672 -1.204 901 1HD2 LEU 121 1HD2 LEU 121 16.499 3.303 -2.368 902 2HD2 LEU 121 2HD2 LEU 121 17.721 2.125 -2.849 903 3HD2 LEU 121 3HD2 LEU 121 16.035 1.884 -3.309 904 H ALA 122 H ALA 122 13.235 2.983 1.373 905 HA ALA 122 HA ALA 122 12.285 0.462 2.270 906 1HB ALA 122 1HB ALA 122 12.610 2.464 3.729 907 2HB ALA 122 2HB ALA 122 11.182 3.193 2.994 908 3HB ALA 122 3HB ALA 122 11.027 1.715 3.944 909 H LYS 123 H LYS 123 11.009 2.603 -0.093 910 HA LYS 123 HA LYS 123 8.221 1.972 0.136 911 1HB LYS 123 1HB LYS 123 9.947 3.377 -1.719 912 2HB LYS 123 2HB LYS 123 8.781 2.384 -2.595 913 1HG LYS 123 1HG LYS 123 7.208 3.467 -0.623 914 2HG LYS 123 2HG LYS 123 8.336 4.785 -0.944 915 1HD LYS 123 1HD LYS 123 6.961 3.320 -3.195 916 2HD LYS 123 2HD LYS 123 6.193 4.684 -2.383 917 1HE LYS 123 1HE LYS 123 8.972 5.250 -3.074 918 2HE LYS 123 2HE LYS 123 8.004 4.851 -4.494 919 1HZ LYS 123 1HZ LYS 123 6.443 6.501 -2.917 920 2HZ LYS 123 2HZ LYS 123 7.983 7.209 -2.937 921 3HZ LYS 123 3HZ LYS 123 7.179 6.887 -4.399 922 H ALA 124 H ALA 124 10.908 0.406 -1.566 923 HA ALA 124 HA ALA 124 9.176 -1.567 -2.841 924 1HB ALA 124 1HB ALA 124 11.448 -0.798 -3.708 925 2HB ALA 124 2HB ALA 124 12.167 -1.767 -2.421 926 3HB ALA 124 3HB ALA 124 11.199 -2.544 -3.674 927 H ILE 125 H ILE 125 10.447 -1.158 0.285 928 HA ILE 125 HA ILE 125 10.637 -4.022 0.906 929 HB ILE 125 HB ILE 125 10.916 -1.475 2.501 930 1HG1 ILE 125 1HG1 ILE 125 13.176 -2.210 2.777 931 2HG1 ILE 125 2HG1 ILE 125 12.788 -3.837 2.218 932 1HG2 ILE 125 1HG2 ILE 125 10.720 -4.313 3.546 933 2HG2 ILE 125 2HG2 ILE 125 11.430 -2.988 4.468 934 3HG2 ILE 125 3HG2 ILE 125 9.727 -2.931 4.011 935 1HD1 ILE 125 1HD1 ILE 125 12.416 -1.416 0.448 936 2HD1 ILE 125 2HD1 ILE 125 13.950 -2.282 0.530 937 3HD1 ILE 125 3HD1 ILE 125 12.497 -3.113 -0.026 938 H ALA 126 H ALA 126 8.123 -1.809 0.546 939 HA ALA 126 HA ALA 126 6.387 -2.637 2.694 940 1HB ALA 126 1HB ALA 126 6.277 -0.664 0.816 941 2HB ALA 126 2HB ALA 126 5.128 -1.820 0.141 942 3HB ALA 126 3HB ALA 126 4.888 -1.184 1.769 943 H GLN 127 H GLN 127 6.675 -3.653 -0.718 944 HA GLN 127 HA GLN 127 4.598 -5.638 -0.562 945 1HB GLN 127 1HB GLN 127 5.449 -4.718 -2.706 946 2HB GLN 127 2HB GLN 127 6.994 -5.520 -2.420 947 1HG GLN 127 1HG GLN 127 4.671 -7.305 -2.159 948 2HG GLN 127 2HG GLN 127 4.878 -6.637 -3.779 949 1HE2 GLN 127 2HE2 GLN 127 5.450 -9.444 -2.655 950 2HE2 GLN 127 1HE2 GLN 127 7.058 -9.749 -3.105 951 H LEU 128 H LEU 128 7.932 -5.580 0.419 952 HA LEU 128 HA LEU 128 8.294 -8.462 0.491 953 1HB LEU 128 1HB LEU 128 9.806 -6.063 1.390 954 2HB LEU 128 2HB LEU 128 10.131 -7.564 2.257 955 HG LEU 128 HG LEU 128 10.386 -8.658 -0.048 956 1HD1 LEU 128 1HD1 LEU 128 9.310 -6.501 -1.093 957 2HD1 LEU 128 2HD1 LEU 128 10.953 -5.868 -1.011 958 3HD1 LEU 128 3HD1 LEU 128 10.614 -7.320 -1.952 959 1HD2 LEU 128 1HD2 LEU 128 12.299 -6.530 0.951 960 2HD2 LEU 128 2HD2 LEU 128 12.334 -8.257 1.311 961 3HD2 LEU 128 3HD2 LEU 128 12.717 -7.687 -0.314 962 H ARG 129 H ARG 129 6.679 -6.182 2.484 963 HA ARG 129 HA ARG 129 6.861 -7.866 4.901 964 1HB ARG 129 1HB ARG 129 6.112 -5.116 4.284 965 2HB ARG 129 2HB ARG 129 4.940 -5.893 5.350 966 1HG ARG 129 1HG ARG 129 6.506 -6.259 7.034 967 2HG ARG 129 2HG ARG 129 7.869 -6.225 5.913 968 1HD ARG 129 1HD ARG 129 7.971 -4.170 7.134 969 2HD ARG 129 2HD ARG 129 7.335 -3.758 5.543 970 HE ARG 129 HE ARG 129 5.164 -3.416 6.538 971 1HH1 ARG 129 1HH1 ARG 129 7.160 -5.104 8.722 972 2HH1 ARG 129 2HH1 ARG 129 6.474 -4.387 10.142 973 1HH2 ARG 129 1HH2 ARG 129 4.458 -2.186 8.375 974 2HH2 ARG 129 2HH2 ARG 129 4.945 -2.732 9.945 975 H VAL 130 H VAL 130 4.271 -6.673 2.723 976 HA VAL 130 HA VAL 130 2.180 -8.202 3.907 977 HB VAL 130 HB VAL 130 1.024 -7.918 1.703 978 1HG1 VAL 130 1HG1 VAL 130 1.741 -6.000 3.585 979 2HG1 VAL 130 2HG1 VAL 130 2.141 -5.240 2.045 980 3HG1 VAL 130 3HG1 VAL 130 0.501 -5.816 2.343 981 1HG2 VAL 130 1HG2 VAL 130 3.031 -8.141 0.275 982 2HG2 VAL 130 2HG2 VAL 130 2.181 -6.628 -0.049 983 3HG2 VAL 130 3HG2 VAL 130 3.654 -6.623 0.922 984 H ILE 131 H ILE 131 4.585 -9.041 1.451 985 HA ILE 131 HA ILE 131 3.422 -11.509 0.609 986 HB ILE 131 HB ILE 131 5.281 -10.551 -0.626 987 1HG1 ILE 131 1HG1 ILE 131 6.014 -13.147 0.764 988 2HG1 ILE 131 2HG1 ILE 131 5.104 -12.979 -0.738 989 1HG2 ILE 131 1HG2 ILE 131 6.842 -10.990 1.938 990 2HG2 ILE 131 2HG2 ILE 131 7.562 -10.524 0.398 991 3HG2 ILE 131 3HG2 ILE 131 6.437 -9.436 1.209 992 1HD1 ILE 131 1HD1 ILE 131 7.947 -12.002 -0.362 993 2HD1 ILE 131 2HD1 ILE 131 7.524 -13.550 -1.093 994 3HD1 ILE 131 3HD1 ILE 131 7.035 -12.044 -1.869 995 H GLU 132 H GLU 132 5.472 -10.684 3.379 996 HA GLU 132 HA GLU 132 6.196 -13.231 4.281 997 1HB GLU 132 1HB GLU 132 5.191 -11.009 6.080 998 2HB GLU 132 2HB GLU 132 6.332 -12.287 6.499 999 1HG GLU 132 1HG GLU 132 7.356 -11.008 4.183 1000 2HG GLU 132 2HG GLU 132 6.875 -9.730 5.301 1001 H LEU 133 H LEU 133 3.042 -11.723 4.266 1002 HA LEU 133 HA LEU 133 1.821 -13.610 6.112 1003 1HB LEU 133 1HB LEU 133 0.797 -11.524 4.201 1004 2HB LEU 133 2HB LEU 133 -0.323 -12.684 4.918 1005 HG LEU 133 HG LEU 133 0.931 -11.990 7.156 1006 1HD1 LEU 133 1HD1 LEU 133 1.824 -10.047 5.162 1007 2HD1 LEU 133 2HD1 LEU 133 1.042 -9.277 6.543 1008 3HD1 LEU 133 3HD1 LEU 133 2.430 -10.336 6.794 1009 1HD2 LEU 133 1HD2 LEU 133 -1.506 -11.705 6.537 1010 2HD2 LEU 133 2HD2 LEU 133 -0.871 -10.437 7.585 1011 3HD2 LEU 133 3HD2 LEU 133 -1.085 -10.130 5.862 1012 H THR 134 H THR 134 1.366 -13.134 2.591 1013 HA THR 134 HA THR 134 -0.063 -15.434 1.993 1014 HB THR 134 HB THR 134 1.292 -15.405 -0.218 1015 HG1 THR 134 HG1 THR 134 3.005 -14.227 -0.139 1016 1HG2 THR 134 1HG2 THR 134 -0.910 -14.163 0.420 1017 2HG2 THR 134 2HG2 THR 134 0.114 -12.729 0.493 1018 3HG2 THR 134 3HG2 THR 134 -0.027 -13.635 -1.014 1019 H LYS 135 H LYS 135 3.365 -15.182 2.767 1020 HA LYS 135 HA LYS 135 4.212 -17.745 1.890 1021 1HB LYS 135 1HB LYS 135 5.124 -15.929 4.120 1022 2HB LYS 135 2HB LYS 135 5.881 -17.500 3.857 1023 1HG LYS 135 1HG LYS 135 5.704 -16.321 1.308 1024 2HG LYS 135 2HG LYS 135 6.250 -15.034 2.383 1025 1HD LYS 135 1HD LYS 135 7.907 -16.810 3.306 1026 2HD LYS 135 2HD LYS 135 7.552 -17.693 1.822 1027 1HE LYS 135 1HE LYS 135 8.232 -14.788 1.610 1028 2HE LYS 135 2HE LYS 135 9.539 -15.932 1.913 1029 1HZ LYS 135 1HZ LYS 135 8.330 -17.218 -0.013 1030 2HZ LYS 135 2HZ LYS 135 7.813 -15.654 -0.431 1031 3HZ LYS 135 3HZ LYS 135 9.472 -16.009 -0.342 1032 H LYS 136 H LYS 136 3.485 -16.894 5.299 1033 HA LYS 136 HA LYS 136 3.216 -19.619 6.124 1034 1HB LYS 136 1HB LYS 136 3.247 -17.150 7.391 1035 2HB LYS 136 2HB LYS 136 1.604 -17.727 7.670 1036 1HG LYS 136 1HG LYS 136 2.347 -19.183 9.213 1037 2HG LYS 136 2HG LYS 136 3.429 -19.916 8.027 1038 1HD LYS 136 1HD LYS 136 4.722 -17.554 8.609 1039 2HD LYS 136 2HD LYS 136 4.030 -17.994 10.170 1040 1HE LYS 136 1HE LYS 136 5.646 -19.883 8.436 1041 2HE LYS 136 2HE LYS 136 6.311 -18.966 9.788 1042 1HZ LYS 136 1HZ LYS 136 4.244 -20.052 10.988 1043 2HZ LYS 136 2HZ LYS 136 4.487 -21.243 9.800 1044 3HZ LYS 136 3HZ LYS 136 5.739 -20.851 10.875 1045 H ALA 137 H ALA 137 1.107 -17.597 4.338 1046 HA ALA 137 HA ALA 137 -1.399 -18.781 5.184 1047 1HB ALA 137 1HB ALA 137 -0.489 -16.939 3.045 1048 2HB ALA 137 2HB ALA 137 -1.934 -17.881 2.678 1049 3HB ALA 137 3HB ALA 137 -1.901 -16.834 4.097 1050 H MET 138 H MET 138 0.984 -19.520 2.678 1051 HA MET 138 HA MET 138 -0.651 -21.923 1.963 1052 1HB MET 138 1HB MET 138 0.866 -19.991 0.354 1053 2HB MET 138 2HB MET 138 1.262 -21.669 -0.019 1054 1HG MET 138 1HG MET 138 -0.572 -21.301 -1.417 1055 2HG MET 138 2HG MET 138 -1.344 -22.000 0.007 1056 1HE MET 138 1HE MET 138 -3.297 -21.497 -0.312 1057 2HE MET 138 2HE MET 138 -4.037 -20.102 0.486 1058 3HE MET 138 3HE MET 138 -3.853 -20.123 -1.266 Start of MODEL 18 1 1H ALA 1 1H ALA 1 -24.393 2.721 10.867 2 2H ALA 1 2H ALA 1 -25.857 2.097 10.272 3 3H ALA 1 3H ALA 1 -24.578 1.048 10.659 4 HA ALA 1 HA ALA 1 -24.750 1.328 8.269 5 1HB ALA 1 1HB ALA 1 -25.154 4.062 9.080 6 2HB ALA 1 2HB ALA 1 -23.770 3.976 7.990 7 3HB ALA 1 3HB ALA 1 -25.337 3.351 7.476 8 H MET 2 H MET 2 -22.902 0.152 9.752 9 HA MET 2 HA MET 2 -20.323 1.560 9.586 10 1HB MET 2 1HB MET 2 -21.313 -0.400 11.255 11 2HB MET 2 2HB MET 2 -20.277 -1.323 10.166 12 1HG MET 2 1HG MET 2 -18.352 -0.190 10.811 13 2HG MET 2 2HG MET 2 -19.243 1.248 11.310 14 1HE MET 2 1HE MET 2 -17.571 -1.754 11.946 15 2HE MET 2 2HE MET 2 -16.890 -0.713 13.194 16 3HE MET 2 3HE MET 2 -17.754 -2.189 13.643 17 H THR 3 H THR 3 -18.497 -0.183 8.746 18 HA THR 3 HA THR 3 -17.529 -1.075 6.805 19 HB THR 3 HB THR 3 -19.708 -2.256 5.465 20 HG1 THR 3 HG1 THR 3 -19.932 -2.735 8.233 21 1HG2 THR 3 1HG2 THR 3 -17.335 -3.001 6.925 22 2HG2 THR 3 2HG2 THR 3 -18.641 -4.128 7.284 23 3HG2 THR 3 3HG2 THR 3 -18.143 -3.859 5.614 24 H TYR 4 H TYR 4 -17.485 -0.803 4.424 25 HA TYR 4 HA TYR 4 -19.463 0.970 3.207 26 1HB TYR 4 1HB TYR 4 -17.885 2.790 2.703 27 2HB TYR 4 2HB TYR 4 -18.085 2.592 4.440 28 HD1 TYR 4 HD1 TYR 4 -16.374 0.670 5.430 29 HD2 TYR 4 HD2 TYR 4 -15.720 3.156 1.988 30 HE1 TYR 4 HE1 TYR 4 -13.933 0.373 5.681 31 HE2 TYR 4 HE2 TYR 4 -13.272 2.860 2.243 32 HH TYR 4 HH TYR 4 -11.663 1.768 3.333 33 H HIS 5 H HIS 5 -17.289 1.842 1.241 34 HA HIS 5 HA HIS 5 -16.878 -0.825 -0.048 35 1HB HIS 5 1HB HIS 5 -18.838 0.581 -0.949 36 2HB HIS 5 2HB HIS 5 -17.602 1.660 -1.595 37 HD1 HIS 5 HD1 HIS 5 -15.552 0.001 -2.830 38 HD2 HIS 5 HD2 HIS 5 -19.543 -1.189 -2.920 39 HE1 HIS 5 HE1 HIS 5 -15.758 -1.662 -4.728 40 H LEU 6 H LEU 6 -14.864 -1.119 -0.923 41 HA LEU 6 HA LEU 6 -12.999 1.162 -0.906 42 1HB LEU 6 1HB LEU 6 -12.812 -1.406 0.140 43 2HB LEU 6 2HB LEU 6 -11.900 -1.491 -1.368 44 HG LEU 6 HG LEU 6 -10.323 -0.773 0.215 45 1HD1 LEU 6 1HD1 LEU 6 -11.127 0.898 -1.850 46 2HD1 LEU 6 2HD1 LEU 6 -10.966 1.983 -0.472 47 3HD1 LEU 6 3HD1 LEU 6 -9.592 1.002 -0.981 48 1HD2 LEU 6 1HD2 LEU 6 -12.648 0.706 1.335 49 2HD2 LEU 6 2HD2 LEU 6 -11.384 -0.197 2.169 50 3HD2 LEU 6 3HD2 LEU 6 -11.054 1.426 1.564 51 H ASP 7 H ASP 7 -12.459 1.950 -2.951 52 HA ASP 7 HA ASP 7 -12.519 0.009 -5.215 53 1HB ASP 7 1HB ASP 7 -14.406 2.089 -4.814 54 2HB ASP 7 2HB ASP 7 -13.358 2.602 -6.137 55 H VAL 8 H VAL 8 -10.126 0.238 -4.594 56 HA VAL 8 HA VAL 8 -8.942 2.747 -5.685 57 HB VAL 8 HB VAL 8 -8.048 2.243 -3.529 58 1HG1 VAL 8 1HG1 VAL 8 -8.299 -0.531 -4.507 59 2HG1 VAL 8 2HG1 VAL 8 -6.852 -0.220 -3.548 60 3HG1 VAL 8 3HG1 VAL 8 -8.448 0.103 -2.869 61 1HG2 VAL 8 1HG2 VAL 8 -6.444 2.339 -5.785 62 2HG2 VAL 8 2HG2 VAL 8 -5.871 2.478 -4.123 63 3HG2 VAL 8 3HG2 VAL 8 -5.842 0.914 -4.938 64 H VAL 9 H VAL 9 -8.112 2.688 -7.718 65 HA VAL 9 HA VAL 9 -7.272 0.031 -8.806 66 HB VAL 9 HB VAL 9 -8.055 0.913 -11.052 67 1HG1 VAL 9 1HG1 VAL 9 -9.861 0.260 -8.748 68 2HG1 VAL 9 2HG1 VAL 9 -10.580 0.699 -10.298 69 3HG1 VAL 9 3HG1 VAL 9 -9.500 -0.691 -10.190 70 1HG2 VAL 9 1HG2 VAL 9 -9.282 3.003 -9.229 71 2HG2 VAL 9 2HG2 VAL 9 -8.164 3.280 -10.564 72 3HG2 VAL 9 3HG2 VAL 9 -9.806 2.728 -10.891 73 H SER 10 H SER 10 -6.121 0.759 -11.133 74 HA SER 10 HA SER 10 -4.463 3.131 -10.922 75 1HB SER 10 1HB SER 10 -2.306 1.728 -10.789 76 2HB SER 10 2HB SER 10 -3.204 1.953 -9.291 77 HG SER 10 HG SER 10 -2.770 -0.317 -10.795 78 H ALA 11 H ALA 11 -4.656 3.618 -13.073 79 HA ALA 11 HA ALA 11 -4.435 3.400 -15.399 80 1HB ALA 11 1HB ALA 11 -2.476 1.391 -14.326 81 2HB ALA 11 2HB ALA 11 -2.805 1.437 -16.058 82 3HB ALA 11 3HB ALA 11 -2.167 2.866 -15.243 83 H GLU 12 H GLU 12 -3.940 -0.047 -14.952 84 HA GLU 12 HA GLU 12 -6.787 -0.578 -15.608 85 1HB GLU 12 1HB GLU 12 -6.080 -2.150 -17.420 86 2HB GLU 12 2HB GLU 12 -5.697 -0.468 -17.785 87 1HG GLU 12 1HG GLU 12 -3.471 -0.868 -17.787 88 2HG GLU 12 2HG GLU 12 -3.561 -1.819 -16.305 89 H GLN 13 H GLN 13 -6.200 -1.155 -13.185 90 HA GLN 13 HA GLN 13 -5.834 -4.085 -13.140 91 1HB GLN 13 1HB GLN 13 -3.991 -2.113 -11.804 92 2HB GLN 13 2HB GLN 13 -4.249 -3.712 -11.103 93 1HG GLN 13 1HG GLN 13 -3.578 -4.764 -13.224 94 2HG GLN 13 2HG GLN 13 -3.330 -3.171 -13.940 95 1HE2 GLN 13 2HE2 GLN 13 -1.199 -2.464 -13.845 96 2HE2 GLN 13 1HE2 GLN 13 -0.059 -2.946 -12.684 97 H GLN 14 H GLN 14 -7.837 -4.497 -12.262 98 HA GLN 14 HA GLN 14 -9.098 -2.801 -10.301 99 1HB GLN 14 1HB GLN 14 -9.616 -5.646 -11.194 100 2HB GLN 14 2HB GLN 14 -10.617 -4.825 -9.995 101 1HG GLN 14 1HG GLN 14 -11.458 -3.303 -11.539 102 2HG GLN 14 2HG GLN 14 -10.055 -3.447 -12.597 103 1HE2 GLN 14 2HE2 GLN 14 -12.556 -5.711 -11.282 104 2HE2 GLN 14 1HE2 GLN 14 -12.843 -6.478 -12.768 105 H MET 15 H MET 15 -8.031 -2.525 -8.373 106 HA MET 15 HA MET 15 -6.675 -4.809 -7.100 107 1HB MET 15 1HB MET 15 -6.776 -1.864 -6.687 108 2HB MET 15 2HB MET 15 -6.484 -2.853 -5.256 109 1HG MET 15 1HG MET 15 -4.938 -3.346 -7.793 110 2HG MET 15 2HG MET 15 -4.432 -2.088 -6.665 111 1HE MET 15 1HE MET 15 -2.353 -2.838 -6.250 112 2HE MET 15 2HE MET 15 -1.823 -4.279 -5.373 113 3HE MET 15 3HE MET 15 -2.232 -4.385 -7.084 114 H PHE 16 H PHE 16 -8.499 -2.427 -5.254 115 HA PHE 16 HA PHE 16 -10.127 -4.688 -4.172 116 1HB PHE 16 1HB PHE 16 -8.634 -3.497 -2.545 117 2HB PHE 16 2HB PHE 16 -9.539 -2.018 -2.858 118 HD1 PHE 16 HD1 PHE 16 -11.796 -4.675 -3.228 119 HD2 PHE 16 HD2 PHE 16 -9.731 -2.456 -0.179 120 HE1 PHE 16 HE1 PHE 16 -13.493 -5.371 -1.571 121 HE2 PHE 16 HE2 PHE 16 -11.437 -3.147 1.470 122 HZ PHE 16 HZ PHE 16 -13.309 -4.615 0.778 123 H SER 17 H SER 17 -12.128 -4.681 -5.079 124 HA SER 17 HA SER 17 -13.564 -2.084 -5.165 125 1HB SER 17 1HB SER 17 -14.475 -2.565 -7.362 126 2HB SER 17 2HB SER 17 -12.720 -2.675 -7.461 127 HG SER 17 HG SER 17 -13.965 -4.455 -8.416 128 H GLY 18 H GLY 18 -14.480 -3.009 -3.153 129 1HA GLY 18 1HA GLY 18 -17.025 -4.231 -3.597 130 2HA GLY 18 2HA GLY 18 -15.896 -5.458 -3.020 131 H LEU 19 H LEU 19 -17.943 -5.004 -1.352 132 HA LEU 19 HA LEU 19 -17.874 -2.887 0.476 133 1HB LEU 19 1HB LEU 19 -18.385 -5.824 1.040 134 2HB LEU 19 2HB LEU 19 -18.803 -4.501 2.130 135 HG LEU 19 HG LEU 19 -19.900 -5.016 -0.644 136 1HD1 LEU 19 1HD1 LEU 19 -20.938 -6.259 1.232 137 2HD1 LEU 19 2HD1 LEU 19 -21.221 -4.734 2.073 138 3HD1 LEU 19 3HD1 LEU 19 -22.049 -5.070 0.552 139 1HD2 LEU 19 1HD2 LEU 19 -20.179 -2.592 1.158 140 2HD2 LEU 19 2HD2 LEU 19 -19.484 -2.631 -0.461 141 3HD2 LEU 19 3HD2 LEU 19 -21.211 -2.905 -0.238 142 H VAL 20 H VAL 20 -16.958 -2.892 2.728 143 HA VAL 20 HA VAL 20 -14.645 -4.576 3.280 144 HB VAL 20 HB VAL 20 -13.218 -3.282 2.044 145 1HG1 VAL 20 1HG1 VAL 20 -15.480 -1.366 2.121 146 2HG1 VAL 20 2HG1 VAL 20 -13.879 -0.681 1.837 147 3HG1 VAL 20 3HG1 VAL 20 -14.513 -1.918 0.752 148 1HG2 VAL 20 1HG2 VAL 20 -13.661 -1.386 4.374 149 2HG2 VAL 20 2HG2 VAL 20 -12.543 -2.756 4.355 150 3HG2 VAL 20 3HG2 VAL 20 -12.265 -1.373 3.293 151 H GLU 21 H GLU 21 -13.652 -3.934 5.409 152 HA GLU 21 HA GLU 21 -15.597 -2.384 7.066 153 1HB GLU 21 1HB GLU 21 -15.082 -5.121 7.256 154 2HB GLU 21 2HB GLU 21 -14.118 -4.408 8.551 155 1HG GLU 21 1HG GLU 21 -16.531 -3.024 8.683 156 2HG GLU 21 2HG GLU 21 -17.016 -4.685 8.346 157 H LYS 22 H LYS 22 -12.216 -3.438 6.668 158 HA LYS 22 HA LYS 22 -11.352 -0.875 7.803 159 1HB LYS 22 1HB LYS 22 -11.612 -2.179 9.835 160 2HB LYS 22 2HB LYS 22 -10.697 -3.516 9.135 161 1HG LYS 22 1HG LYS 22 -8.840 -1.677 8.805 162 2HG LYS 22 2HG LYS 22 -9.720 -0.846 10.086 163 1HD LYS 22 1HD LYS 22 -8.726 -3.702 10.268 164 2HD LYS 22 2HD LYS 22 -7.889 -2.310 10.955 165 1HE LYS 22 1HE LYS 22 -9.285 -2.229 12.730 166 2HE LYS 22 2HE LYS 22 -10.711 -2.371 11.702 167 1HZ LYS 22 1HZ LYS 22 -9.000 -4.716 12.195 168 2HZ LYS 22 2HZ LYS 22 -10.158 -4.255 13.345 169 3HZ LYS 22 3HZ LYS 22 -10.643 -4.658 11.768 170 H ILE 23 H ILE 23 -10.002 -0.299 6.181 171 HA ILE 23 HA ILE 23 -8.135 -2.341 5.056 172 HB ILE 23 HB ILE 23 -8.946 -1.359 3.149 173 1HG1 ILE 23 1HG1 ILE 23 -7.131 0.935 3.944 174 2HG1 ILE 23 2HG1 ILE 23 -6.540 -0.613 3.342 175 1HG2 ILE 23 1HG2 ILE 23 -9.490 1.112 4.802 176 2HG2 ILE 23 2HG2 ILE 23 -9.846 0.974 3.081 177 3HG2 ILE 23 3HG2 ILE 23 -10.665 -0.074 4.239 178 1HD1 ILE 23 1HD1 ILE 23 -8.605 0.269 1.583 179 2HD1 ILE 23 2HD1 ILE 23 -7.499 1.619 1.833 180 3HD1 ILE 23 3HD1 ILE 23 -6.887 0.078 1.232 181 H GLN 24 H GLN 24 -5.859 -1.920 5.162 182 HA GLN 24 HA GLN 24 -5.130 0.312 7.020 183 1HB GLN 24 1HB GLN 24 -3.920 -2.458 6.779 184 2HB GLN 24 2HB GLN 24 -3.249 -1.163 7.771 185 1HG GLN 24 1HG GLN 24 -5.948 -1.231 8.478 186 2HG GLN 24 2HG GLN 24 -5.498 -2.930 8.325 187 1HE2 GLN 24 2HE2 GLN 24 -3.448 -0.166 9.377 188 2HE2 GLN 24 1HE2 GLN 24 -3.111 -0.806 10.912 189 H VAL 25 H VAL 25 -3.358 1.562 6.453 190 HA VAL 25 HA VAL 25 -1.824 0.770 4.022 191 HB VAL 25 HB VAL 25 -2.835 3.589 4.479 192 1HG1 VAL 25 1HG1 VAL 25 -0.807 2.599 2.888 193 2HG1 VAL 25 2HG1 VAL 25 -2.175 2.646 1.776 194 3HG1 VAL 25 3HG1 VAL 25 -1.666 4.114 2.609 195 1HG2 VAL 25 1HG2 VAL 25 -4.516 1.538 3.899 196 2HG2 VAL 25 2HG2 VAL 25 -4.739 3.169 3.272 197 3HG2 VAL 25 3HG2 VAL 25 -3.960 1.941 2.277 198 H THR 26 H THR 26 0.353 1.143 4.291 199 HA THR 26 HA THR 26 1.200 3.070 6.394 200 HB THR 26 HB THR 26 2.210 0.215 6.192 201 HG1 THR 26 HG1 THR 26 1.136 -0.050 8.129 202 1HG2 THR 26 1HG2 THR 26 3.796 2.138 6.905 203 2HG2 THR 26 2HG2 THR 26 2.808 2.215 8.365 204 3HG2 THR 26 3HG2 THR 26 3.675 0.731 7.964 205 H GLY 27 H GLY 27 2.435 4.471 5.252 206 1HA GLY 27 1HA GLY 27 4.400 3.322 3.303 207 2HA GLY 27 2HA GLY 27 3.597 4.871 3.040 208 H SER 28 H SER 28 4.542 6.692 3.894 209 HA SER 28 HA SER 28 6.867 6.258 5.731 210 1HB SER 28 1HB SER 28 6.857 8.838 4.395 211 2HB SER 28 2HB SER 28 8.109 7.600 4.412 212 HG SER 28 HG SER 28 5.825 7.766 2.736 213 H GLU 29 H GLU 29 4.766 9.010 4.805 214 HA GLU 29 HA GLU 29 4.392 9.524 7.730 215 1HB GLU 29 1HB GLU 29 4.082 11.923 7.075 216 2HB GLU 29 2HB GLU 29 5.698 11.313 6.717 217 1HG GLU 29 1HG GLU 29 4.973 10.864 4.374 218 2HG GLU 29 2HG GLU 29 3.409 11.591 4.749 219 H GLY 30 H GLY 30 2.276 9.796 8.433 220 1HA GLY 30 1HA GLY 30 -0.079 9.948 8.291 221 2HA GLY 30 2HA GLY 30 0.093 10.316 6.572 222 H GLU 31 H GLU 31 0.500 7.577 8.832 223 HA GLU 31 HA GLU 31 -0.196 5.730 6.604 224 1HB GLU 31 1HB GLU 31 0.441 3.996 8.452 225 2HB GLU 31 2HB GLU 31 1.728 4.916 7.673 226 1HG GLU 31 1HG GLU 31 2.100 6.241 9.535 227 2HG GLU 31 2HG GLU 31 0.443 6.070 10.117 228 H LEU 32 H LEU 32 -2.485 6.509 6.760 229 HA LEU 32 HA LEU 32 -3.910 5.267 9.085 230 1HB LEU 32 1HB LEU 32 -4.347 7.767 7.550 231 2HB LEU 32 2HB LEU 32 -5.806 6.836 7.913 232 HG LEU 32 HG LEU 32 -3.747 7.488 10.033 233 1HD1 LEU 32 1HD1 LEU 32 -6.107 9.101 9.049 234 2HD1 LEU 32 2HD1 LEU 32 -5.467 9.285 10.682 235 3HD1 LEU 32 3HD1 LEU 32 -4.445 9.639 9.288 236 1HD2 LEU 32 1HD2 LEU 32 -6.072 5.871 9.928 237 2HD2 LEU 32 2HD2 LEU 32 -5.140 6.306 11.359 238 3HD2 LEU 32 3HD2 LEU 32 -6.509 7.301 10.863 239 H GLY 33 H GLY 33 -5.846 4.085 8.599 240 1HA GLY 33 1HA GLY 33 -5.833 2.957 5.845 241 2HA GLY 33 2HA GLY 33 -6.570 2.188 7.257 242 H ILE 34 H ILE 34 -8.205 2.418 5.085 243 HA ILE 34 HA ILE 34 -9.751 4.915 5.513 244 HB ILE 34 HB ILE 34 -9.793 2.813 3.344 245 1HG1 ILE 34 1HG1 ILE 34 -8.147 4.693 3.264 246 2HG1 ILE 34 2HG1 ILE 34 -9.305 4.752 1.933 247 1HG2 ILE 34 1HG2 ILE 34 -12.143 3.510 4.069 248 2HG2 ILE 34 2HG2 ILE 34 -11.710 5.146 3.582 249 3HG2 ILE 34 3HG2 ILE 34 -11.736 3.848 2.389 250 1HD1 ILE 34 1HD1 ILE 34 -10.709 6.255 3.552 251 2HD1 ILE 34 2HD1 ILE 34 -9.174 6.477 4.398 252 3HD1 ILE 34 3HD1 ILE 34 -9.330 6.966 2.709 253 H TYR 35 H TYR 35 -11.674 4.906 6.511 254 HA TYR 35 HA TYR 35 -12.909 2.279 7.205 255 1HB TYR 35 1HB TYR 35 -13.491 3.724 9.404 256 2HB TYR 35 2HB TYR 35 -12.024 2.757 9.286 257 HD1 TYR 35 HD1 TYR 35 -9.870 3.908 8.459 258 HD2 TYR 35 HD2 TYR 35 -13.396 6.072 9.634 259 HE1 TYR 35 HE1 TYR 35 -8.519 5.965 8.718 260 HE2 TYR 35 HE2 TYR 35 -12.039 8.132 9.891 261 HH TYR 35 HH TYR 35 -9.926 9.055 9.076 262 HA PRO 36 HA PRO 36 -16.710 4.155 6.103 263 1HB PRO 36 1HB PRO 36 -18.421 3.322 8.098 264 2HB PRO 36 2HB PRO 36 -17.839 2.270 6.794 265 1HG PRO 36 1HG PRO 36 -16.981 2.369 9.657 266 2HG PRO 36 2HG PRO 36 -16.999 0.995 8.537 267 1HD PRO 36 1HD PRO 36 -14.716 2.451 9.247 268 2HD PRO 36 2HD PRO 36 -14.855 1.416 7.813 269 H GLY 37 H GLY 37 -16.003 6.362 6.469 270 1HA GLY 37 1HA GLY 37 -17.451 8.218 7.625 271 2HA GLY 37 2HA GLY 37 -16.755 7.539 9.096 272 H HIS 38 H HIS 38 -14.371 7.103 6.901 273 HA HIS 38 HA HIS 38 -12.515 8.858 7.939 274 1HB HIS 38 1HB HIS 38 -11.968 7.149 6.242 275 2HB HIS 38 2HB HIS 38 -12.781 8.113 5.009 276 HD1 HIS 38 HD1 HIS 38 -9.730 8.103 7.223 277 HD2 HIS 38 HD2 HIS 38 -11.318 10.359 4.098 278 HE1 HIS 38 HE1 HIS 38 -7.908 9.708 6.499 279 H ALA 39 H ALA 39 -12.180 11.038 7.889 280 HA ALA 39 HA ALA 39 -14.141 12.882 7.156 281 1HB ALA 39 1HB ALA 39 -11.574 13.033 8.209 282 2HB ALA 39 2HB ALA 39 -11.447 13.931 6.696 283 3HB ALA 39 3HB ALA 39 -12.642 14.404 7.903 284 HA PRO 40 HA PRO 40 -13.891 13.464 2.814 285 1HB PRO 40 1HB PRO 40 -13.823 16.199 2.535 286 2HB PRO 40 2HB PRO 40 -15.271 15.299 3.019 287 1HG PRO 40 1HG PRO 40 -13.457 16.977 4.690 288 2HG PRO 40 2HG PRO 40 -15.172 16.598 4.927 289 1HD PRO 40 1HD PRO 40 -13.007 15.399 6.299 290 2HD PRO 40 2HD PRO 40 -14.681 14.807 6.272 291 H LEU 41 H LEU 41 -11.641 12.539 2.732 292 HA LEU 41 HA LEU 41 -9.481 14.557 2.456 293 1HB LEU 41 1HB LEU 41 -9.606 11.817 3.314 294 2HB LEU 41 2HB LEU 41 -8.512 11.938 1.936 295 HG LEU 41 HG LEU 41 -7.330 12.318 4.086 296 1HD1 LEU 41 1HD1 LEU 41 -6.810 13.537 1.847 297 2HD1 LEU 41 2HD1 LEU 41 -7.491 14.958 2.639 298 3HD1 LEU 41 3HD1 LEU 41 -6.075 14.162 3.324 299 1HD2 LEU 41 1HD2 LEU 41 -9.659 13.792 4.687 300 2HD2 LEU 41 2HD2 LEU 41 -8.224 13.619 5.697 301 3HD2 LEU 41 3HD2 LEU 41 -8.359 14.980 4.583 302 H LEU 42 H LEU 42 -8.133 14.550 0.537 303 HA LEU 42 HA LEU 42 -8.930 13.042 -1.823 304 1HB LEU 42 1HB LEU 42 -9.465 15.162 -3.139 305 2HB LEU 42 2HB LEU 42 -10.699 14.654 -1.985 306 HG LEU 42 HG LEU 42 -8.790 16.317 -0.632 307 1HD1 LEU 42 1HD1 LEU 42 -9.389 17.091 -3.385 308 2HD1 LEU 42 2HD1 LEU 42 -9.896 18.318 -2.222 309 3HD1 LEU 42 3HD1 LEU 42 -8.217 17.777 -2.259 310 1HD2 LEU 42 1HD2 LEU 42 -11.720 16.498 -1.358 311 2HD2 LEU 42 2HD2 LEU 42 -11.009 16.087 0.203 312 3HD2 LEU 42 3HD2 LEU 42 -10.918 17.742 -0.400 313 H THR 43 H THR 43 -6.524 13.545 -0.269 314 HA THR 43 HA THR 43 -4.884 15.217 -2.102 315 HB THR 43 HB THR 43 -3.219 15.223 -0.378 316 HG1 THR 43 HG1 THR 43 -3.010 13.573 0.884 317 1HG2 THR 43 1HG2 THR 43 -6.054 15.539 0.540 318 2HG2 THR 43 2HG2 THR 43 -4.753 15.689 1.720 319 3HG2 THR 43 3HG2 THR 43 -4.807 16.766 0.325 320 H ALA 44 H ALA 44 -2.462 13.656 -1.269 321 HA ALA 44 HA ALA 44 -2.795 11.463 -3.254 322 1HB ALA 44 1HB ALA 44 -0.327 12.803 -2.112 323 2HB ALA 44 2HB ALA 44 -0.281 11.445 -3.235 324 3HB ALA 44 3HB ALA 44 -0.968 12.987 -3.743 325 H ILE 45 H ILE 45 -1.619 9.395 -2.738 326 HA ILE 45 HA ILE 45 -1.953 8.757 0.160 327 HB ILE 45 HB ILE 45 -1.915 6.938 -2.270 328 1HG1 ILE 45 1HG1 ILE 45 -4.144 7.832 -0.410 329 2HG1 ILE 45 2HG1 ILE 45 -3.964 8.272 -2.111 330 1HG2 ILE 45 1HG2 ILE 45 -2.340 6.356 0.676 331 2HG2 ILE 45 2HG2 ILE 45 -2.631 5.199 -0.623 332 3HG2 ILE 45 3HG2 ILE 45 -0.998 5.794 -0.320 333 1HD1 ILE 45 1HD1 ILE 45 -3.862 5.581 -2.335 334 2HD1 ILE 45 2HD1 ILE 45 -4.884 5.717 -0.903 335 3HD1 ILE 45 3HD1 ILE 45 -5.371 6.490 -2.412 336 H LYS 46 H LYS 46 -0.338 7.164 1.044 337 HA LYS 46 HA LYS 46 2.365 7.874 0.046 338 1HB LYS 46 1HB LYS 46 1.219 7.012 2.649 339 2HB LYS 46 2HB LYS 46 2.854 6.451 2.291 340 1HG LYS 46 1HG LYS 46 2.781 8.667 3.484 341 2HG LYS 46 2HG LYS 46 3.623 8.718 1.934 342 1HD LYS 46 1HD LYS 46 1.736 9.711 0.839 343 2HD LYS 46 2HD LYS 46 0.695 9.419 2.234 344 1HE LYS 46 1HE LYS 46 1.651 11.133 3.480 345 2HE LYS 46 2HE LYS 46 3.176 11.063 2.598 346 1HZ LYS 46 1HZ LYS 46 1.639 11.774 0.622 347 2HZ LYS 46 2HZ LYS 46 0.665 12.384 1.870 348 3HZ LYS 46 3HZ LYS 46 2.265 12.929 1.700 349 HA PRO 47 HA PRO 47 3.025 3.863 -1.627 350 1HB PRO 47 1HB PRO 47 5.773 3.876 -1.586 351 2HB PRO 47 2HB PRO 47 4.811 4.804 -2.747 352 1HG PRO 47 1HG PRO 47 6.324 5.772 -0.369 353 2HG PRO 47 2HG PRO 47 5.886 6.640 -1.850 354 1HD PRO 47 1HD PRO 47 4.584 6.860 0.661 355 2HD PRO 47 2HD PRO 47 3.985 7.485 -0.890 356 H GLY 48 H GLY 48 2.913 1.874 -0.614 357 1HA GLY 48 1HA GLY 48 4.829 0.822 1.167 358 2HA GLY 48 2HA GLY 48 3.561 1.537 2.162 359 H MET 49 H MET 49 2.852 -0.510 2.942 360 HA MET 49 HA MET 49 1.646 -2.304 0.873 361 1HB MET 49 1HB MET 49 1.576 -3.911 2.937 362 2HB MET 49 2HB MET 49 3.115 -3.643 2.118 363 1HG MET 49 1HG MET 49 3.901 -2.199 3.802 364 2HG MET 49 2HG MET 49 2.281 -1.895 4.426 365 1HE MET 49 1HE MET 49 0.787 -3.738 4.781 366 2HE MET 49 2HE MET 49 1.271 -5.431 4.715 367 3HE MET 49 3HE MET 49 1.092 -4.619 6.277 368 H ILE 50 H ILE 50 -0.295 -3.606 2.141 369 HA ILE 50 HA ILE 50 -1.883 -1.768 3.796 370 HB ILE 50 HB ILE 50 -2.663 -2.500 0.969 371 1HG1 ILE 50 1HG1 ILE 50 -2.556 0.138 2.458 372 2HG1 ILE 50 2HG1 ILE 50 -1.357 -0.422 1.291 373 1HG2 ILE 50 1HG2 ILE 50 -4.352 -2.312 3.288 374 2HG2 ILE 50 2HG2 ILE 50 -4.691 -0.954 2.216 375 3HG2 ILE 50 3HG2 ILE 50 -4.815 -2.606 1.612 376 1HD1 ILE 50 1HD1 ILE 50 -4.268 -0.275 0.538 377 2HD1 ILE 50 2HD1 ILE 50 -3.250 1.164 0.458 378 3HD1 ILE 50 3HD1 ILE 50 -2.852 -0.254 -0.513 379 H ARG 51 H ARG 51 -3.365 -2.861 5.037 380 HA ARG 51 HA ARG 51 -3.869 -5.741 4.409 381 1HB ARG 51 1HB ARG 51 -2.240 -5.686 6.230 382 2HB ARG 51 2HB ARG 51 -3.218 -4.516 7.115 383 1HG ARG 51 1HG ARG 51 -4.531 -6.136 7.973 384 2HG ARG 51 2HG ARG 51 -4.774 -6.867 6.385 385 1HD ARG 51 1HD ARG 51 -3.079 -8.376 6.673 386 2HD ARG 51 2HD ARG 51 -2.083 -7.238 7.579 387 HE ARG 51 HE ARG 51 -2.908 -8.317 9.493 388 1HH1 ARG 51 1HH1 ARG 51 -4.762 -9.509 6.994 389 2HH1 ARG 51 2HH1 ARG 51 -6.203 -9.743 7.926 390 1HH2 ARG 51 1HH2 ARG 51 -4.991 -8.076 10.714 391 2HH2 ARG 51 2HH2 ARG 51 -6.334 -8.929 10.030 392 H ILE 52 H ILE 52 -6.045 -5.866 4.033 393 HA ILE 52 HA ILE 52 -7.823 -4.042 5.602 394 HB ILE 52 HB ILE 52 -8.461 -5.275 2.932 395 1HG1 ILE 52 1HG1 ILE 52 -7.382 -2.488 3.357 396 2HG1 ILE 52 2HG1 ILE 52 -6.342 -3.846 2.937 397 1HG2 ILE 52 1HG2 ILE 52 -9.695 -3.265 4.742 398 2HG2 ILE 52 2HG2 ILE 52 -9.818 -2.973 3.008 399 3HG2 ILE 52 3HG2 ILE 52 -10.460 -4.461 3.698 400 1HD1 ILE 52 1HD1 ILE 52 -8.754 -3.592 1.256 401 2HD1 ILE 52 2HD1 ILE 52 -7.609 -2.259 1.102 402 3HD1 ILE 52 3HD1 ILE 52 -7.084 -3.913 0.790 403 H VAL 53 H VAL 53 -10.099 -4.897 5.767 404 HA VAL 53 HA VAL 53 -10.236 -7.855 6.001 405 HB VAL 53 HB VAL 53 -10.906 -5.814 8.142 406 1HG1 VAL 53 1HG1 VAL 53 -12.388 -8.091 7.516 407 2HG1 VAL 53 2HG1 VAL 53 -11.336 -8.611 8.832 408 3HG1 VAL 53 3HG1 VAL 53 -12.407 -7.227 9.051 409 1HG2 VAL 53 1HG2 VAL 53 -9.098 -8.250 8.083 410 2HG2 VAL 53 2HG2 VAL 53 -8.572 -6.566 8.107 411 3HG2 VAL 53 3HG2 VAL 53 -9.402 -7.252 9.505 412 H LYS 54 H LYS 54 -11.734 -8.054 4.327 413 HA LYS 54 HA LYS 54 -13.804 -6.199 3.749 414 1HB LYS 54 1HB LYS 54 -12.903 -8.636 2.681 415 2HB LYS 54 2HB LYS 54 -14.593 -8.912 3.106 416 1HG LYS 54 1HG LYS 54 -14.656 -6.388 1.987 417 2HG LYS 54 2HG LYS 54 -13.456 -7.221 0.997 418 1HD LYS 54 1HD LYS 54 -15.564 -9.065 1.400 419 2HD LYS 54 2HD LYS 54 -16.325 -7.526 0.989 420 1HE LYS 54 1HE LYS 54 -14.963 -7.335 -1.019 421 2HE LYS 54 2HE LYS 54 -14.059 -8.787 -0.584 422 1HZ LYS 54 1HZ LYS 54 -16.254 -9.971 -0.626 423 2HZ LYS 54 2HZ LYS 54 -16.915 -8.585 -1.344 424 3HZ LYS 54 3HZ LYS 54 -15.683 -9.445 -2.137 425 H GLN 55 H GLN 55 -15.663 -5.759 4.796 426 HA GLN 55 HA GLN 55 -17.304 -5.898 6.486 427 1HB GLN 55 1HB GLN 55 -17.282 -8.618 5.177 428 2HB GLN 55 2HB GLN 55 -18.425 -8.235 6.466 429 1HG GLN 55 1HG GLN 55 -18.857 -6.075 4.987 430 2HG GLN 55 2HG GLN 55 -18.244 -7.110 3.697 431 1HE2 GLN 55 2HE2 GLN 55 -19.619 -8.766 2.909 432 2HE2 GLN 55 1HE2 GLN 55 -21.165 -9.079 3.536 433 H HIS 56 H HIS 56 -16.526 -9.279 6.955 434 HA HIS 56 HA HIS 56 -14.741 -8.832 9.209 435 1HB HIS 56 1HB HIS 56 -16.926 -8.181 10.199 436 2HB HIS 56 2HB HIS 56 -17.573 -9.764 9.768 437 HD1 HIS 56 HD1 HIS 56 -17.717 -9.428 12.645 438 HD2 HIS 56 HD2 HIS 56 -14.120 -10.572 10.872 439 HE1 HIS 56 HE1 HIS 56 -16.333 -10.515 14.467 440 H GLY 57 H GLY 57 -14.335 -10.397 6.995 441 1HA GLY 57 1HA GLY 57 -14.375 -13.116 8.192 442 2HA GLY 57 2HA GLY 57 -15.053 -12.919 6.575 443 H HIS 58 H HIS 58 -13.650 -12.761 4.830 444 HA HIS 58 HA HIS 58 -10.895 -13.565 5.274 445 1HB HIS 58 1HB HIS 58 -12.622 -12.995 2.906 446 2HB HIS 58 2HB HIS 58 -10.874 -12.928 2.677 447 HD1 HIS 58 HD1 HIS 58 -13.529 -15.298 4.027 448 HD2 HIS 58 HD2 HIS 58 -9.677 -15.424 2.438 449 HE1 HIS 58 HE1 HIS 58 -12.948 -17.747 3.752 450 H GLU 59 H GLU 59 -9.110 -12.278 4.067 451 HA GLU 59 HA GLU 59 -9.504 -9.348 4.514 452 1HB GLU 59 1HB GLU 59 -6.965 -10.903 5.095 453 2HB GLU 59 2HB GLU 59 -7.263 -9.197 5.433 454 1HG GLU 59 1HG GLU 59 -8.164 -9.731 7.422 455 2HG GLU 59 2HG GLU 59 -9.373 -10.732 6.616 456 H GLU 60 H GLU 60 -7.787 -8.060 3.271 457 HA GLU 60 HA GLU 60 -6.953 -9.506 0.794 458 1HB GLU 60 1HB GLU 60 -9.016 -7.593 0.958 459 2HB GLU 60 2HB GLU 60 -7.640 -6.747 0.249 460 1HG GLU 60 1HG GLU 60 -7.420 -8.430 -1.481 461 2HG GLU 60 2HG GLU 60 -8.655 -9.433 -0.720 462 H PHE 61 H PHE 61 -4.988 -8.792 -0.088 463 HA PHE 61 HA PHE 61 -3.483 -6.834 1.602 464 1HB PHE 61 1HB PHE 61 -2.677 -9.307 0.094 465 2HB PHE 61 2HB PHE 61 -1.489 -8.030 0.352 466 HD1 PHE 61 HD1 PHE 61 -4.220 -9.625 2.388 467 HD2 PHE 61 HD2 PHE 61 -0.110 -8.390 2.186 468 HE1 PHE 61 HE1 PHE 61 -3.865 -10.422 4.709 469 HE2 PHE 61 HE2 PHE 61 0.243 -9.188 4.508 470 HZ PHE 61 HZ PHE 61 -1.635 -10.202 5.770 471 H ILE 62 H ILE 62 -2.682 -5.008 0.589 472 HA ILE 62 HA ILE 62 -2.616 -4.967 -2.385 473 HB ILE 62 HB ILE 62 -4.131 -3.044 -0.608 474 1HG1 ILE 62 1HG1 ILE 62 -5.849 -3.522 -2.480 475 2HG1 ILE 62 2HG1 ILE 62 -4.789 -4.856 -2.935 476 1HG2 ILE 62 1HG2 ILE 62 -2.740 -2.581 -3.175 477 2HG2 ILE 62 2HG2 ILE 62 -4.430 -2.073 -3.151 478 3HG2 ILE 62 3HG2 ILE 62 -3.294 -1.418 -1.971 479 1HD1 ILE 62 1HD1 ILE 62 -5.133 -4.934 -0.099 480 2HD1 ILE 62 2HD1 ILE 62 -6.727 -4.787 -0.838 481 3HD1 ILE 62 3HD1 ILE 62 -5.664 -6.118 -1.293 482 H TYR 63 H TYR 63 -1.078 -3.516 -3.233 483 HA TYR 63 HA TYR 63 0.487 -1.874 -1.324 484 1HB TYR 63 1HB TYR 63 1.857 -3.769 -1.215 485 2HB TYR 63 2HB TYR 63 1.504 -4.243 -2.874 486 HD1 TYR 63 HD1 TYR 63 2.451 -2.845 -4.777 487 HD2 TYR 63 HD2 TYR 63 3.731 -2.393 -0.701 488 HE1 TYR 63 HE1 TYR 63 4.499 -1.682 -5.550 489 HE2 TYR 63 HE2 TYR 63 5.778 -1.228 -1.474 490 HH TYR 63 HH TYR 63 6.795 -0.275 -3.238 491 H LEU 64 H LEU 64 1.661 -0.178 -2.396 492 HA LEU 64 HA LEU 64 1.669 0.058 -5.289 493 1HB LEU 64 1HB LEU 64 0.231 2.239 -5.122 494 2HB LEU 64 2HB LEU 64 -0.591 0.683 -5.217 495 HG LEU 64 HG LEU 64 0.041 1.261 -2.467 496 1HD1 LEU 64 1HD1 LEU 64 -1.033 3.501 -4.111 497 2HD1 LEU 64 2HD1 LEU 64 -1.817 3.206 -2.560 498 3HD1 LEU 64 3HD1 LEU 64 -0.089 3.551 -2.623 499 1HD2 LEU 64 1HD2 LEU 64 -2.375 0.734 -4.167 500 2HD2 LEU 64 2HD2 LEU 64 -1.725 -0.214 -2.830 501 3HD2 LEU 64 3HD2 LEU 64 -2.603 1.280 -2.505 502 H SER 65 H SER 65 2.069 2.679 -5.679 503 HA SER 65 HA SER 65 4.261 3.341 -3.759 504 1HB SER 65 1HB SER 65 3.948 4.071 -6.687 505 2HB SER 65 2HB SER 65 5.268 4.609 -5.652 506 HG SER 65 HG SER 65 4.597 1.881 -6.020 507 H GLY 66 H GLY 66 2.712 5.395 -6.206 508 1HA GLY 66 1HA GLY 66 1.554 7.048 -4.013 509 2HA GLY 66 2HA GLY 66 2.591 7.816 -5.217 510 H GLY 67 H GLY 67 0.006 8.723 -4.974 511 1HA GLY 67 1HA GLY 67 -1.006 8.723 -7.569 512 2HA GLY 67 2HA GLY 67 -1.821 7.374 -6.774 513 H ILE 68 H ILE 68 -3.626 9.092 -7.419 514 HA ILE 68 HA ILE 68 -3.923 11.107 -5.249 515 HB ILE 68 HB ILE 68 -5.504 10.692 -7.805 516 1HG1 ILE 68 1HG1 ILE 68 -4.347 13.133 -8.007 517 2HG1 ILE 68 2HG1 ILE 68 -3.125 12.304 -7.042 518 1HG2 ILE 68 1HG2 ILE 68 -5.671 12.767 -5.604 519 2HG2 ILE 68 2HG2 ILE 68 -6.396 12.988 -7.196 520 3HG2 ILE 68 3HG2 ILE 68 -6.947 11.679 -6.150 521 1HD1 ILE 68 1HD1 ILE 68 -4.214 10.805 -9.368 522 2HD1 ILE 68 2HD1 ILE 68 -3.174 12.180 -9.736 523 3HD1 ILE 68 3HD1 ILE 68 -2.568 10.861 -8.736 524 H LEU 69 H LEU 69 -5.981 11.190 -4.071 525 HA LEU 69 HA LEU 69 -7.475 8.602 -4.107 526 1HB LEU 69 1HB LEU 69 -7.575 8.690 -1.634 527 2HB LEU 69 2HB LEU 69 -5.911 8.580 -2.208 528 HG LEU 69 HG LEU 69 -6.560 11.340 -2.120 529 1HD1 LEU 69 1HD1 LEU 69 -7.899 9.762 -0.043 530 2HD1 LEU 69 2HD1 LEU 69 -6.827 10.998 0.616 531 3HD1 LEU 69 3HD1 LEU 69 -8.126 11.454 -0.487 532 1HD2 LEU 69 1HD2 LEU 69 -4.354 10.156 -1.745 533 2HD2 LEU 69 2HD2 LEU 69 -4.711 11.419 -0.567 534 3HD2 LEU 69 3HD2 LEU 69 -4.934 9.723 -0.136 535 H GLU 70 H GLU 70 -9.594 8.846 -2.845 536 HA GLU 70 HA GLU 70 -10.715 11.491 -2.488 537 1HB GLU 70 1HB GLU 70 -10.763 11.494 -4.925 538 2HB GLU 70 2HB GLU 70 -11.522 9.901 -4.944 539 1HG GLU 70 1HG GLU 70 -13.513 10.959 -4.932 540 2HG GLU 70 2HG GLU 70 -13.159 11.437 -3.273 541 H VAL 71 H VAL 71 -12.240 11.196 -0.920 542 HA VAL 71 HA VAL 71 -13.314 8.448 -0.546 543 HB VAL 71 HB VAL 71 -12.199 9.605 1.377 544 1HG1 VAL 71 1HG1 VAL 71 -14.415 11.558 0.820 545 2HG1 VAL 71 2HG1 VAL 71 -13.828 11.354 2.470 546 3HG1 VAL 71 3HG1 VAL 71 -12.722 11.874 1.199 547 1HG2 VAL 71 1HG2 VAL 71 -14.797 8.331 1.302 548 2HG2 VAL 71 2HG2 VAL 71 -13.525 8.181 2.515 549 3HG2 VAL 71 3HG2 VAL 71 -14.717 9.474 2.642 550 H GLN 72 H GLN 72 -15.548 8.065 -0.417 551 HA GLN 72 HA GLN 72 -17.330 10.349 -1.144 552 1HB GLN 72 1HB GLN 72 -17.805 7.582 -2.231 553 2HB GLN 72 2HB GLN 72 -18.379 9.129 -2.852 554 1HG GLN 72 1HG GLN 72 -16.081 9.728 -3.508 555 2HG GLN 72 2HG GLN 72 -15.497 8.188 -2.881 556 1HE2 GLN 72 2HE2 GLN 72 -18.558 8.659 -4.665 557 2HE2 GLN 72 1HE2 GLN 72 -18.113 7.712 -6.000 558 HA PRO 73 HA PRO 73 -19.943 8.794 2.017 559 1HB PRO 73 1HB PRO 73 -22.421 9.422 1.003 560 2HB PRO 73 2HB PRO 73 -21.301 10.622 1.669 561 1HG PRO 73 1HG PRO 73 -21.990 10.077 -1.181 562 2HG PRO 73 2HG PRO 73 -21.416 11.576 -0.432 563 1HD PRO 73 1HD PRO 73 -19.846 9.774 -1.945 564 2HD PRO 73 2HD PRO 73 -19.230 11.087 -0.919 565 H GLY 74 H GLY 74 -19.912 6.546 2.149 566 1HA GLY 74 1HA GLY 74 -21.220 4.511 2.049 567 2HA GLY 74 2HA GLY 74 -21.971 5.102 0.567 568 H ASN 75 H ASN 75 -18.725 5.768 0.335 569 HA ASN 75 HA ASN 75 -17.555 3.247 -0.288 570 1HB ASN 75 1HB ASN 75 -17.623 3.746 -2.891 571 2HB ASN 75 2HB ASN 75 -18.934 2.853 -2.119 572 1HD2 ASN 75 2HD2 ASN 75 -20.625 3.605 -3.523 573 2HD2 ASN 75 1HD2 ASN 75 -21.119 5.228 -3.569 574 H VAL 76 H VAL 76 -15.515 3.564 -1.615 575 HA VAL 76 HA VAL 76 -14.582 6.389 -1.651 576 HB VAL 76 HB VAL 76 -12.540 5.831 -0.488 577 1HG1 VAL 76 1HG1 VAL 76 -14.986 5.925 0.717 578 2HG1 VAL 76 2HG1 VAL 76 -14.393 4.367 1.293 579 3HG1 VAL 76 3HG1 VAL 76 -13.460 5.832 1.597 580 1HG2 VAL 76 1HG2 VAL 76 -13.208 3.191 -1.348 581 2HG2 VAL 76 2HG2 VAL 76 -11.725 3.732 -0.562 582 3HG2 VAL 76 3HG2 VAL 76 -13.082 3.165 0.410 583 H THR 77 H THR 77 -12.423 6.516 -2.864 584 HA THR 77 HA THR 77 -11.709 4.292 -4.584 585 HB THR 77 HB THR 77 -13.240 6.625 -5.758 586 HG1 THR 77 HG1 THR 77 -14.078 4.290 -6.605 587 1HG2 THR 77 1HG2 THR 77 -11.139 5.867 -7.024 588 2HG2 THR 77 2HG2 THR 77 -11.984 4.340 -7.282 589 3HG2 THR 77 3HG2 THR 77 -12.656 5.839 -7.923 590 H VAL 78 H VAL 78 -9.631 4.577 -5.277 591 HA VAL 78 HA VAL 78 -8.530 7.345 -5.349 592 HB VAL 78 HB VAL 78 -6.602 6.729 -4.064 593 1HG1 VAL 78 1HG1 VAL 78 -9.141 6.771 -2.995 594 2HG1 VAL 78 2HG1 VAL 78 -8.497 5.255 -2.364 595 3HG1 VAL 78 3HG1 VAL 78 -7.650 6.770 -2.053 596 1HG2 VAL 78 1HG2 VAL 78 -7.503 4.011 -4.775 597 2HG2 VAL 78 2HG2 VAL 78 -5.873 4.611 -4.470 598 3HG2 VAL 78 3HG2 VAL 78 -6.917 4.167 -3.119 599 H LEU 79 H LEU 79 -7.102 7.655 -7.050 600 HA LEU 79 HA LEU 79 -6.697 5.312 -8.842 601 1HB LEU 79 1HB LEU 79 -7.182 8.152 -9.244 602 2HB LEU 79 2HB LEU 79 -5.751 7.616 -10.127 603 HG LEU 79 HG LEU 79 -7.611 5.567 -10.521 604 1HD1 LEU 79 1HD1 LEU 79 -8.917 8.298 -10.740 605 2HD1 LEU 79 2HD1 LEU 79 -9.580 6.814 -11.426 606 3HD1 LEU 79 3HD1 LEU 79 -9.414 6.979 -9.679 607 1HD2 LEU 79 1HD2 LEU 79 -5.918 7.025 -12.031 608 2HD2 LEU 79 2HD2 LEU 79 -7.188 6.024 -12.735 609 3HD2 LEU 79 3HD2 LEU 79 -7.440 7.758 -12.534 610 H ALA 80 H ALA 80 -4.621 4.671 -9.467 611 HA ALA 80 HA ALA 80 -2.311 6.205 -8.409 612 1HB ALA 80 1HB ALA 80 -3.078 4.359 -6.772 613 2HB ALA 80 2HB ALA 80 -2.486 3.219 -7.981 614 3HB ALA 80 3HB ALA 80 -1.376 4.370 -7.234 615 H ASP 81 H ASP 81 -0.222 4.821 -9.179 616 HA ASP 81 HA ASP 81 -0.752 4.070 -12.027 617 1HB ASP 81 1HB ASP 81 1.624 5.509 -10.811 618 2HB ASP 81 2HB ASP 81 1.586 4.900 -12.466 619 H THR 82 H THR 82 1.249 3.472 -9.153 620 HA THR 82 HA THR 82 2.166 0.924 -10.399 621 HB THR 82 HB THR 82 3.183 2.479 -8.001 622 HG1 THR 82 HG1 THR 82 5.100 2.276 -9.524 623 1HG2 THR 82 1HG2 THR 82 3.259 -0.068 -7.808 624 2HG2 THR 82 2HG2 THR 82 4.371 -0.037 -9.176 625 3HG2 THR 82 3HG2 THR 82 4.806 0.768 -7.669 626 H ALA 83 H ALA 83 1.060 -0.873 -9.793 627 HA ALA 83 HA ALA 83 -0.010 -0.986 -7.012 628 1HB ALA 83 1HB ALA 83 -1.726 -0.434 -8.943 629 2HB ALA 83 2HB ALA 83 -1.604 -2.164 -9.263 630 3HB ALA 83 3HB ALA 83 -2.151 -1.596 -7.685 631 H ILE 84 H ILE 84 1.778 -2.404 -6.545 632 HA ILE 84 HA ILE 84 1.796 -4.993 -8.011 633 HB ILE 84 HB ILE 84 3.743 -3.708 -6.080 634 1HG1 ILE 84 1HG1 ILE 84 5.240 -4.132 -8.148 635 2HG1 ILE 84 2HG1 ILE 84 3.730 -4.395 -9.022 636 1HG2 ILE 84 1HG2 ILE 84 3.290 -6.520 -6.681 637 2HG2 ILE 84 2HG2 ILE 84 4.908 -6.012 -7.165 638 3HG2 ILE 84 3HG2 ILE 84 4.378 -5.795 -5.498 639 1HD1 ILE 84 1HD1 ILE 84 3.788 -1.972 -7.326 640 2HD1 ILE 84 2HD1 ILE 84 4.887 -1.946 -8.705 641 3HD1 ILE 84 3HD1 ILE 84 3.158 -2.189 -8.960 642 H ARG 85 H ARG 85 -0.057 -5.963 -7.087 643 HA ARG 85 HA ARG 85 -0.977 -5.993 -4.494 644 1HB ARG 85 1HB ARG 85 -1.579 -7.450 -6.693 645 2HB ARG 85 2HB ARG 85 -0.775 -8.689 -5.728 646 1HG ARG 85 1HG ARG 85 -2.291 -7.772 -3.790 647 2HG ARG 85 2HG ARG 85 -3.273 -7.138 -5.110 648 1HD ARG 85 1HD ARG 85 -3.738 -9.281 -5.959 649 2HD ARG 85 2HD ARG 85 -2.371 -10.012 -5.119 650 HE ARG 85 HE ARG 85 -3.699 -9.590 -2.983 651 1HH1 ARG 85 1HH1 ARG 85 -5.634 -8.445 -5.386 652 2HH1 ARG 85 2HH1 ARG 85 -6.980 -9.495 -5.088 653 1HH2 ARG 85 1HH2 ARG 85 -5.242 -11.534 -2.886 654 2HH2 ARG 85 2HH2 ARG 85 -6.758 -11.240 -3.671 655 H GLY 86 H GLY 86 -0.571 -7.340 -2.624 656 1HA GLY 86 1HA GLY 86 2.030 -7.523 -1.706 657 2HA GLY 86 2HA GLY 86 0.766 -8.629 -1.161 658 H GLN 87 H GLN 87 0.322 -9.841 -3.752 659 HA GLN 87 HA GLN 87 2.503 -11.784 -3.693 660 1HB GLN 87 1HB GLN 87 -0.048 -11.500 -5.278 661 2HB GLN 87 2HB GLN 87 1.151 -12.721 -5.702 662 1HG GLN 87 1HG GLN 87 1.066 -13.376 -3.194 663 2HG GLN 87 2HG GLN 87 -0.442 -12.461 -3.158 664 1HE2 GLN 87 2HE2 GLN 87 -1.551 -13.081 -5.660 665 2HE2 GLN 87 1HE2 GLN 87 -1.857 -14.749 -5.750 666 H ASP 88 H ASP 88 1.071 -10.080 -6.486 667 HA ASP 88 HA ASP 88 2.141 -8.829 -8.175 668 1HB ASP 88 1HB ASP 88 4.217 -7.966 -7.803 669 2HB ASP 88 2HB ASP 88 3.992 -8.619 -6.186 670 H LEU 89 H LEU 89 3.645 -11.908 -7.238 671 HA LEU 89 HA LEU 89 2.899 -13.419 -9.433 672 1HB LEU 89 1HB LEU 89 4.765 -11.391 -10.237 673 2HB LEU 89 2HB LEU 89 5.548 -12.964 -10.382 674 HG LEU 89 HG LEU 89 2.742 -12.619 -11.393 675 1HD1 LEU 89 1HD1 LEU 89 4.937 -11.067 -12.307 676 2HD1 LEU 89 2HD1 LEU 89 4.663 -12.323 -13.515 677 3HD1 LEU 89 3HD1 LEU 89 3.350 -11.237 -13.061 678 1HD2 LEU 89 1HD2 LEU 89 5.130 -14.344 -12.110 679 2HD2 LEU 89 2HD2 LEU 89 3.632 -14.867 -11.342 680 3HD2 LEU 89 3HD2 LEU 89 3.621 -14.337 -13.023 681 H ASP 90 H ASP 90 5.938 -12.582 -7.744 682 HA ASP 90 HA ASP 90 6.201 -15.484 -7.065 683 1HB ASP 90 1HB ASP 90 8.234 -13.414 -7.835 684 2HB ASP 90 2HB ASP 90 8.710 -14.722 -6.753 685 H GLU 91 H GLU 91 8.008 -15.418 -5.063 686 HA GLU 91 HA GLU 91 6.820 -13.553 -3.046 687 1HB GLU 91 1HB GLU 91 7.760 -16.399 -2.577 688 2HB GLU 91 2HB GLU 91 7.029 -15.330 -1.380 689 1HG GLU 91 1HG GLU 91 4.919 -15.623 -2.211 690 2HG GLU 91 2HG GLU 91 5.480 -15.718 -3.880 691 H ALA 92 H ALA 92 9.548 -15.863 -3.075 692 HA ALA 92 HA ALA 92 11.241 -14.062 -1.578 693 1HB ALA 92 1HB ALA 92 11.581 -16.705 -2.938 694 2HB ALA 92 2HB ALA 92 13.030 -15.788 -2.530 695 3HB ALA 92 3HB ALA 92 11.900 -16.259 -1.261 696 H ARG 93 H ARG 93 10.358 -14.177 -4.852 697 HA ARG 93 HA ARG 93 12.890 -13.111 -5.890 698 1HB ARG 93 1HB ARG 93 10.522 -14.263 -6.997 699 2HB ARG 93 2HB ARG 93 10.723 -12.656 -7.697 700 1HG ARG 93 1HG ARG 93 11.956 -14.211 -9.075 701 2HG ARG 93 2HG ARG 93 13.128 -13.252 -8.170 702 1HD ARG 93 1HD ARG 93 13.637 -15.016 -6.709 703 2HD ARG 93 2HD ARG 93 12.133 -15.867 -7.062 704 HE ARG 93 HE ARG 93 14.320 -15.635 -9.090 705 1HH1 ARG 93 1HH1 ARG 93 11.457 -16.885 -9.400 706 2HH1 ARG 93 2HH1 ARG 93 11.872 -18.565 -9.360 707 1HH2 ARG 93 1HH2 ARG 93 15.074 -18.018 -8.149 708 2HH2 ARG 93 2HH2 ARG 93 13.921 -19.208 -8.655 709 H ALA 94 H ALA 94 10.637 -11.778 -3.951 710 HA ALA 94 HA ALA 94 10.381 -9.194 -5.358 711 1HB ALA 94 1HB ALA 94 9.265 -10.397 -2.852 712 2HB ALA 94 2HB ALA 94 9.334 -8.640 -2.978 713 3HB ALA 94 3HB ALA 94 8.425 -9.573 -4.166 714 H MET 95 H MET 95 12.402 -10.741 -3.030 715 HA MET 95 HA MET 95 13.408 -8.332 -1.762 716 1HB MET 95 1HB MET 95 13.884 -11.208 -1.628 717 2HB MET 95 2HB MET 95 15.382 -10.285 -1.532 718 1HG MET 95 1HG MET 95 13.574 -8.880 0.085 719 2HG MET 95 2HG MET 95 13.288 -10.580 0.456 720 1HE MET 95 1HE MET 95 14.066 -11.439 2.181 721 2HE MET 95 2HE MET 95 15.601 -11.247 3.025 722 3HE MET 95 3HE MET 95 14.376 -9.984 3.138 723 H GLU 96 H GLU 96 14.122 -10.079 -4.692 724 HA GLU 96 HA GLU 96 16.778 -9.197 -5.173 725 1HB GLU 96 1HB GLU 96 14.790 -10.600 -6.597 726 2HB GLU 96 2HB GLU 96 15.211 -9.217 -7.609 727 1HG GLU 96 1HG GLU 96 17.296 -10.011 -8.035 728 2HG GLU 96 2HG GLU 96 17.528 -10.555 -6.374 729 H ALA 97 H ALA 97 13.831 -7.432 -5.089 730 HA ALA 97 HA ALA 97 14.663 -5.294 -6.881 731 1HB ALA 97 1HB ALA 97 12.267 -5.821 -6.361 732 2HB ALA 97 2HB ALA 97 12.537 -5.233 -4.721 733 3HB ALA 97 3HB ALA 97 12.684 -4.129 -6.088 734 H LYS 98 H LYS 98 14.571 -5.720 -3.338 735 HA LYS 98 HA LYS 98 15.496 -3.124 -2.648 736 1HB LYS 98 1HB LYS 98 14.617 -4.765 -1.004 737 2HB LYS 98 2HB LYS 98 16.072 -5.737 -1.219 738 1HG LYS 98 1HG LYS 98 16.826 -3.007 -0.706 739 2HG LYS 98 2HG LYS 98 15.710 -3.549 0.548 740 1HD LYS 98 1HD LYS 98 17.557 -5.670 -0.016 741 2HD LYS 98 2HD LYS 98 18.468 -4.189 0.282 742 1HE LYS 98 1HE LYS 98 18.140 -5.204 2.424 743 2HE LYS 98 2HE LYS 98 17.006 -3.856 2.343 744 1HZ LYS 98 1HZ LYS 98 16.237 -6.597 1.543 745 2HZ LYS 98 2HZ LYS 98 16.111 -6.067 3.149 746 3HZ LYS 98 3HZ LYS 98 15.226 -5.288 1.928 747 H ARG 99 H ARG 99 17.142 -5.770 -4.131 748 HA ARG 99 HA ARG 99 19.822 -4.954 -3.312 749 1HB ARG 99 1HB ARG 99 18.828 -7.270 -4.301 750 2HB ARG 99 2HB ARG 99 19.461 -6.559 -5.786 751 1HG ARG 99 1HG ARG 99 21.123 -6.642 -3.271 752 2HG ARG 99 2HG ARG 99 21.069 -8.019 -4.374 753 1HD ARG 99 1HD ARG 99 22.227 -6.922 -6.018 754 2HD ARG 99 2HD ARG 99 21.519 -5.358 -5.617 755 HE ARG 99 HE ARG 99 23.626 -5.043 -4.583 756 1HH1 ARG 99 1HH1 ARG 99 23.034 -8.369 -4.528 757 2HH1 ARG 99 2HH1 ARG 99 23.877 -8.664 -3.045 758 1HH2 ARG 99 1HH2 ARG 99 24.393 -5.304 -2.360 759 2HH2 ARG 99 2HH2 ARG 99 24.645 -6.929 -1.817 760 H LYS 100 H LYS 100 17.729 -4.423 -6.124 761 HA LYS 100 HA LYS 100 19.807 -2.986 -7.597 762 1HB LYS 100 1HB LYS 100 17.995 -2.481 -9.193 763 2HB LYS 100 2HB LYS 100 18.008 -4.197 -8.784 764 1HG LYS 100 1HG LYS 100 16.008 -4.087 -7.692 765 2HG LYS 100 2HG LYS 100 16.351 -2.493 -7.019 766 1HD LYS 100 1HD LYS 100 15.751 -1.398 -9.058 767 2HD LYS 100 2HD LYS 100 15.728 -2.920 -9.947 768 1HE LYS 100 1HE LYS 100 13.909 -2.557 -7.584 769 2HE LYS 100 2HE LYS 100 13.461 -1.866 -9.143 770 1HZ LYS 100 1HZ LYS 100 14.318 -4.681 -8.906 771 2HZ LYS 100 2HZ LYS 100 12.707 -4.231 -8.625 772 3HZ LYS 100 3HZ LYS 100 13.415 -3.945 -10.143 773 H ALA 101 H ALA 101 17.494 -2.215 -5.160 774 HA ALA 101 HA ALA 101 17.472 0.661 -5.828 775 1HB ALA 101 1HB ALA 101 15.870 -1.133 -4.207 776 2HB ALA 101 2HB ALA 101 16.354 0.285 -3.276 777 3HB ALA 101 3HB ALA 101 15.478 0.482 -4.794 778 H GLU 102 H GLU 102 18.929 -1.545 -3.482 779 HA GLU 102 HA GLU 102 19.932 0.268 -1.593 780 1HB GLU 102 1HB GLU 102 20.226 -2.153 -1.362 781 2HB GLU 102 2HB GLU 102 21.307 -2.174 -2.756 782 1HG GLU 102 1HG GLU 102 22.829 -0.605 -1.534 783 2HG GLU 102 2HG GLU 102 21.786 -0.757 -0.119 784 H GLU 103 H GLU 103 21.015 -0.332 -4.886 785 HA GLU 103 HA GLU 103 23.550 0.962 -4.737 786 1HB GLU 103 1HB GLU 103 22.634 -0.413 -6.674 787 2HB GLU 103 2HB GLU 103 21.698 1.011 -7.131 788 1HG GLU 103 1HG GLU 103 23.516 1.712 -8.265 789 2HG GLU 103 2HG GLU 103 24.278 1.990 -6.698 790 H HIS 104 H HIS 104 20.399 2.292 -5.821 791 HA HIS 104 HA HIS 104 21.336 4.991 -6.025 792 1HB HIS 104 1HB HIS 104 18.693 3.631 -5.954 793 2HB HIS 104 2HB HIS 104 18.703 5.339 -5.517 794 HD1 HIS 104 HD1 HIS 104 18.277 6.764 -7.506 795 HD2 HIS 104 HD2 HIS 104 20.482 3.373 -8.514 796 HE1 HIS 104 HE1 HIS 104 18.747 6.927 -9.989 797 H ILE 105 H ILE 105 20.631 3.022 -3.312 798 HA ILE 105 HA ILE 105 20.054 5.279 -1.515 799 HB ILE 105 HB ILE 105 20.554 2.352 -0.894 800 1HG1 ILE 105 1HG1 ILE 105 18.586 2.887 -2.421 801 2HG1 ILE 105 2HG1 ILE 105 18.169 2.076 -0.911 802 1HG2 ILE 105 1HG2 ILE 105 20.155 4.720 0.736 803 2HG2 ILE 105 2HG2 ILE 105 18.876 3.537 1.012 804 3HG2 ILE 105 3HG2 ILE 105 20.565 3.080 1.236 805 1HD1 ILE 105 1HD1 ILE 105 18.158 5.085 -1.112 806 2HD1 ILE 105 2HD1 ILE 105 16.754 4.134 -1.597 807 3HD1 ILE 105 3HD1 ILE 105 17.339 4.060 0.065 808 H SER 106 H SER 106 22.746 4.690 -3.008 809 HA SER 106 HA SER 106 24.566 4.464 -0.687 810 1HB SER 106 1HB SER 106 25.267 4.856 -3.608 811 2HB SER 106 2HB SER 106 26.343 4.322 -2.321 812 HG SER 106 HG SER 106 25.536 2.569 -3.548 813 H SER 107 H SER 107 26.579 6.179 -2.104 814 HA SER 107 HA SER 107 27.300 8.405 -1.960 815 1HB SER 107 1HB SER 107 24.425 9.202 -2.398 816 2HB SER 107 2HB SER 107 25.885 10.030 -2.932 817 HG SER 107 HG SER 107 25.299 8.973 -4.709 818 H SER 108 H SER 108 27.873 8.929 0.106 819 HA SER 108 HA SER 108 25.683 9.820 1.935 820 1HB SER 108 1HB SER 108 28.170 8.608 3.071 821 2HB SER 108 2HB SER 108 26.535 8.624 3.725 822 HG SER 108 HG SER 108 26.839 6.587 2.986 823 H HIS 109 H HIS 109 25.977 12.007 1.993 824 HA HIS 109 HA HIS 109 28.155 13.225 3.296 825 1HB HIS 109 1HB HIS 109 28.753 12.505 0.570 826 2HB HIS 109 2HB HIS 109 28.743 14.262 0.726 827 HD1 HIS 109 HD1 HIS 109 30.131 15.113 3.006 828 HD2 HIS 109 HD2 HIS 109 31.157 11.419 1.368 829 HE1 HIS 109 HE1 HIS 109 32.439 14.553 3.888 830 H GLY 110 H GLY 110 25.570 13.753 3.583 831 1HA GLY 110 1HA GLY 110 25.330 16.547 2.967 832 2HA GLY 110 2HA GLY 110 24.298 15.609 1.886 833 H ASP 111 H ASP 111 23.193 17.402 3.751 834 HA ASP 111 HA ASP 111 22.447 16.196 6.230 835 1HB ASP 111 1HB ASP 111 21.731 18.557 4.712 836 2HB ASP 111 2HB ASP 111 20.293 17.814 5.416 837 H VAL 112 H VAL 112 20.441 16.547 3.274 838 HA VAL 112 HA VAL 112 18.797 14.262 4.222 839 HB VAL 112 HB VAL 112 17.195 14.945 2.529 840 1HG1 VAL 112 1HG1 VAL 112 18.434 17.204 4.112 841 2HG1 VAL 112 2HG1 VAL 112 16.949 17.412 3.183 842 3HG1 VAL 112 3HG1 VAL 112 17.002 16.255 4.513 843 1HG2 VAL 112 1HG2 VAL 112 19.560 16.479 1.518 844 2HG2 VAL 112 2HG2 VAL 112 18.352 15.564 0.617 845 3HG2 VAL 112 3HG2 VAL 112 17.954 17.160 1.255 846 H ASP 113 H ASP 113 21.595 14.259 2.878 847 HA ASP 113 HA ASP 113 21.323 13.023 0.312 848 1HB ASP 113 1HB ASP 113 23.454 13.934 1.114 849 2HB ASP 113 2HB ASP 113 23.493 12.742 2.413 850 H TYR 114 H TYR 114 22.959 10.972 2.584 851 HA TYR 114 HA TYR 114 21.430 8.669 1.818 852 1HB TYR 114 1HB TYR 114 23.687 8.371 2.653 853 2HB TYR 114 2HB TYR 114 23.277 9.163 4.174 854 HD1 TYR 114 HD1 TYR 114 22.518 6.192 2.054 855 HD2 TYR 114 HD2 TYR 114 22.313 7.948 5.969 856 HE1 TYR 114 HE1 TYR 114 21.791 4.015 2.992 857 HE2 TYR 114 HE2 TYR 114 21.585 5.769 6.906 858 HH TYR 114 HH TYR 114 21.969 3.176 6.033 859 H ALA 115 H ALA 115 20.966 11.168 4.125 860 HA ALA 115 HA ALA 115 19.284 9.826 6.013 861 1HB ALA 115 1HB ALA 115 19.927 12.611 5.252 862 2HB ALA 115 2HB ALA 115 18.339 12.389 5.992 863 3HB ALA 115 3HB ALA 115 19.794 11.887 6.856 864 H GLN 116 H GLN 116 18.635 11.474 2.940 865 HA GLN 116 HA GLN 116 15.746 10.950 3.160 866 1HB GLN 116 1HB GLN 116 16.921 12.998 2.032 867 2HB GLN 116 2HB GLN 116 17.132 11.904 0.664 868 1HG GLN 116 1HG GLN 116 15.059 12.678 0.087 869 2HG GLN 116 2HG GLN 116 14.523 11.442 1.225 870 1HE2 GLN 116 2HE2 GLN 116 14.421 14.802 0.562 871 2HE2 GLN 116 1HE2 GLN 116 13.823 15.316 2.065 872 H ALA 117 H ALA 117 18.463 9.199 2.233 873 HA ALA 117 HA ALA 117 17.240 7.744 0.009 874 1HB ALA 117 1HB ALA 117 19.725 8.078 0.273 875 2HB ALA 117 2HB ALA 117 19.669 6.981 1.654 876 3HB ALA 117 3HB ALA 117 19.249 6.396 0.044 877 H SER 118 H SER 118 17.735 7.236 3.483 878 HA SER 118 HA SER 118 17.011 4.529 3.688 879 1HB SER 118 1HB SER 118 16.647 6.893 5.507 880 2HB SER 118 2HB SER 118 15.939 5.342 5.943 881 HG SER 118 HG SER 118 17.966 5.303 6.770 882 H ALA 119 H ALA 119 14.935 7.382 3.321 883 HA ALA 119 HA ALA 119 12.439 6.062 3.753 884 1HB ALA 119 1HB ALA 119 13.075 8.438 1.975 885 2HB ALA 119 2HB ALA 119 11.458 7.955 2.490 886 3HB ALA 119 3HB ALA 119 12.633 8.513 3.680 887 H GLU 120 H GLU 120 14.134 6.809 0.682 888 HA GLU 120 HA GLU 120 12.283 5.311 -0.940 889 1HB GLU 120 1HB GLU 120 15.182 5.984 -1.533 890 2HB GLU 120 2HB GLU 120 13.943 5.550 -2.712 891 1HG GLU 120 1HG GLU 120 13.820 7.973 -0.892 892 2HG GLU 120 2HG GLU 120 14.304 8.012 -2.587 893 H LEU 121 H LEU 121 14.604 4.302 1.289 894 HA LEU 121 HA LEU 121 15.355 1.836 -0.114 895 1HB LEU 121 1HB LEU 121 17.052 2.654 1.316 896 2HB LEU 121 2HB LEU 121 15.915 2.974 2.625 897 HG LEU 121 HG LEU 121 15.534 0.530 2.863 898 1HD1 LEU 121 1HD1 LEU 121 16.724 0.447 0.321 899 2HD1 LEU 121 2HD1 LEU 121 17.896 -0.310 1.399 900 3HD1 LEU 121 3HD1 LEU 121 16.250 -0.935 1.309 901 1HD2 LEU 121 1HD2 LEU 121 18.252 1.761 3.154 902 2HD2 LEU 121 2HD2 LEU 121 17.127 1.231 4.404 903 3HD2 LEU 121 3HD2 LEU 121 18.064 0.042 3.499 904 H ALA 122 H ALA 122 13.426 2.656 2.791 905 HA ALA 122 HA ALA 122 12.412 -0.088 2.967 906 1HB ALA 122 1HB ALA 122 12.780 1.274 5.002 907 2HB ALA 122 2HB ALA 122 11.554 2.416 4.449 908 3HB ALA 122 3HB ALA 122 11.098 0.763 4.863 909 H LYS 123 H LYS 123 11.779 2.166 0.761 910 HA LYS 123 HA LYS 123 8.885 2.338 0.850 911 1HB LYS 123 1HB LYS 123 10.311 3.981 -0.365 912 2HB LYS 123 2HB LYS 123 10.753 2.714 -1.511 913 1HG LYS 123 1HG LYS 123 8.313 2.412 -2.024 914 2HG LYS 123 2HG LYS 123 7.974 3.812 -1.006 915 1HD LYS 123 1HD LYS 123 8.266 5.039 -2.888 916 2HD LYS 123 2HD LYS 123 9.988 4.741 -2.653 917 1HE LYS 123 1HE LYS 123 9.322 4.123 -4.938 918 2HE LYS 123 2HE LYS 123 9.810 2.690 -4.033 919 1HZ LYS 123 1HZ LYS 123 7.072 3.150 -3.612 920 2HZ LYS 123 2HZ LYS 123 7.369 3.178 -5.285 921 3HZ LYS 123 3HZ LYS 123 7.817 1.823 -4.362 922 H ALA 124 H ALA 124 11.214 0.207 -0.769 923 HA ALA 124 HA ALA 124 9.022 -1.282 -2.074 924 1HB ALA 124 1HB ALA 124 11.483 -0.765 -2.967 925 2HB ALA 124 2HB ALA 124 11.848 -2.255 -2.100 926 3HB ALA 124 3HB ALA 124 10.650 -2.259 -3.394 927 H ILE 125 H ILE 125 10.845 -1.395 0.839 928 HA ILE 125 HA ILE 125 10.720 -4.251 1.271 929 HB ILE 125 HB ILE 125 11.208 -1.861 3.043 930 1HG1 ILE 125 1HG1 ILE 125 13.391 -2.975 3.328 931 2HG1 ILE 125 2HG1 ILE 125 12.834 -4.327 2.343 932 1HG2 ILE 125 1HG2 ILE 125 10.863 -4.746 3.915 933 2HG2 ILE 125 2HG2 ILE 125 11.619 -3.499 4.907 934 3HG2 ILE 125 3HG2 ILE 125 9.920 -3.358 4.455 935 1HD1 ILE 125 1HD1 ILE 125 12.660 -1.560 1.212 936 2HD1 ILE 125 2HD1 ILE 125 14.230 -2.360 1.252 937 3HD1 ILE 125 3HD1 ILE 125 12.886 -3.095 0.376 938 H ALA 126 H ALA 126 8.302 -1.938 1.110 939 HA ALA 126 HA ALA 126 6.593 -2.889 3.257 940 1HB ALA 126 1HB ALA 126 6.566 -0.716 1.530 941 2HB ALA 126 2HB ALA 126 5.216 -1.698 0.963 942 3HB ALA 126 3HB ALA 126 5.269 -1.159 2.642 943 H GLN 127 H GLN 127 7.276 -3.902 0.006 944 HA GLN 127 HA GLN 127 4.846 -5.527 -0.240 945 1HB GLN 127 1HB GLN 127 6.304 -4.436 -2.134 946 2HB GLN 127 2HB GLN 127 7.290 -5.887 -1.952 947 1HG GLN 127 1HG GLN 127 4.777 -6.963 -2.006 948 2HG GLN 127 2HG GLN 127 4.581 -5.584 -3.088 949 1HE2 GLN 127 2HE2 GLN 127 4.585 -8.365 -3.982 950 2HE2 GLN 127 1HE2 GLN 127 5.930 -8.562 -4.997 951 H LEU 128 H LEU 128 7.704 -5.844 1.473 952 HA LEU 128 HA LEU 128 8.049 -8.732 1.069 953 1HB LEU 128 1HB LEU 128 9.768 -6.789 1.839 954 2HB LEU 128 2HB LEU 128 9.275 -7.395 3.420 955 HG LEU 128 HG LEU 128 9.691 -9.682 1.826 956 1HD1 LEU 128 1HD1 LEU 128 10.959 -7.937 0.376 957 2HD1 LEU 128 2HD1 LEU 128 12.143 -7.934 1.684 958 3HD1 LEU 128 3HD1 LEU 128 11.801 -9.425 0.808 959 1HD2 LEU 128 1HD2 LEU 128 10.513 -8.552 4.307 960 2HD2 LEU 128 2HD2 LEU 128 10.651 -10.232 3.788 961 3HD2 LEU 128 3HD2 LEU 128 11.970 -9.102 3.478 962 H ARG 129 H ARG 129 6.555 -6.572 3.433 963 HA ARG 129 HA ARG 129 6.030 -8.675 5.369 964 1HB ARG 129 1HB ARG 129 5.737 -5.837 5.236 965 2HB ARG 129 2HB ARG 129 4.162 -6.524 5.638 966 1HG ARG 129 1HG ARG 129 4.943 -6.628 7.762 967 2HG ARG 129 2HG ARG 129 5.878 -8.014 7.204 968 1HD ARG 129 1HD ARG 129 7.044 -5.330 6.671 969 2HD ARG 129 2HD ARG 129 7.029 -5.864 8.352 970 HE ARG 129 HE ARG 129 8.126 -7.725 6.314 971 1HH1 ARG 129 1HH1 ARG 129 8.994 -5.059 8.209 972 2HH1 ARG 129 2HH1 ARG 129 10.381 -5.812 8.921 973 1HH2 ARG 129 1HH2 ARG 129 9.721 -8.932 7.562 974 2HH2 ARG 129 2HH2 ARG 129 10.792 -8.003 8.557 975 H VAL 130 H VAL 130 4.098 -7.052 2.853 976 HA VAL 130 HA VAL 130 1.616 -8.290 3.350 977 HB VAL 130 HB VAL 130 1.204 -7.969 0.884 978 1HG1 VAL 130 1HG1 VAL 130 1.876 -5.997 2.894 979 2HG1 VAL 130 2HG1 VAL 130 2.265 -5.391 1.284 980 3HG1 VAL 130 3HG1 VAL 130 0.627 -5.933 1.651 981 1HG2 VAL 130 1HG2 VAL 130 4.129 -7.179 0.996 982 2HG2 VAL 130 2HG2 VAL 130 3.396 -8.430 -0.009 983 3HG2 VAL 130 3HG2 VAL 130 3.056 -6.730 -0.329 984 H ILE 131 H ILE 131 4.553 -9.709 2.228 985 HA ILE 131 HA ILE 131 3.195 -12.020 0.994 986 HB ILE 131 HB ILE 131 6.121 -11.404 1.494 987 1HG1 ILE 131 1HG1 ILE 131 4.389 -11.406 -0.998 988 2HG1 ILE 131 2HG1 ILE 131 5.107 -9.993 -0.222 989 1HG2 ILE 131 1HG2 ILE 131 4.753 -13.760 0.175 990 2HG2 ILE 131 2HG2 ILE 131 6.445 -13.355 -0.113 991 3HG2 ILE 131 3HG2 ILE 131 5.907 -13.790 1.509 992 1HD1 ILE 131 1HD1 ILE 131 7.261 -11.729 -0.608 993 2HD1 ILE 131 2HD1 ILE 131 6.311 -11.883 -2.086 994 3HD1 ILE 131 3HD1 ILE 131 6.890 -10.298 -1.572 995 H GLU 132 H GLU 132 5.727 -11.781 3.515 996 HA GLU 132 HA GLU 132 5.512 -14.296 4.629 997 1HB GLU 132 1HB GLU 132 5.832 -11.675 6.119 998 2HB GLU 132 2HB GLU 132 6.188 -13.266 6.795 999 1HG GLU 132 1HG GLU 132 7.453 -12.329 4.219 1000 2HG GLU 132 2HG GLU 132 8.164 -11.949 5.788 1001 H LEU 133 H LEU 133 3.278 -11.593 5.107 1002 HA LEU 133 HA LEU 133 1.762 -12.921 7.193 1003 1HB LEU 133 1HB LEU 133 1.544 -10.431 5.609 1004 2HB LEU 133 2HB LEU 133 0.011 -11.113 6.158 1005 HG LEU 133 HG LEU 133 1.653 -11.364 8.380 1006 1HD1 LEU 133 1HD1 LEU 133 2.217 -8.775 6.913 1007 2HD1 LEU 133 2HD1 LEU 133 2.500 -8.984 8.641 1008 3HD1 LEU 133 3HD1 LEU 133 3.388 -9.967 7.477 1009 1HD2 LEU 133 1HD2 LEU 133 -0.799 -10.427 7.874 1010 2HD2 LEU 133 2HD2 LEU 133 0.043 -10.038 9.374 1011 3HD2 LEU 133 3HD2 LEU 133 0.029 -8.878 8.046 1012 H THR 134 H THR 134 1.034 -12.275 3.738 1013 HA THR 134 HA THR 134 -1.375 -13.610 3.483 1014 HB THR 134 HB THR 134 -0.497 -14.327 1.167 1015 HG1 THR 134 HG1 THR 134 1.648 -12.637 1.840 1016 1HG2 THR 134 1HG2 THR 134 -0.312 -11.441 2.069 1017 2HG2 THR 134 2HG2 THR 134 -0.429 -11.962 0.389 1018 3HG2 THR 134 3HG2 THR 134 -1.763 -12.269 1.502 1019 H LYS 135 H LYS 135 1.797 -15.038 3.975 1020 HA LYS 135 HA LYS 135 1.227 -17.717 3.254 1021 1HB LYS 135 1HB LYS 135 3.081 -16.487 5.291 1022 2HB LYS 135 2HB LYS 135 2.964 -18.238 5.108 1023 1HG LYS 135 1HG LYS 135 3.174 -17.370 2.491 1024 2HG LYS 135 2HG LYS 135 4.240 -16.260 3.354 1025 1HD LYS 135 1HD LYS 135 5.207 -18.355 4.498 1026 2HD LYS 135 2HD LYS 135 4.380 -19.275 3.240 1027 1HE LYS 135 1HE LYS 135 5.957 -18.748 1.720 1028 2HE LYS 135 2HE LYS 135 5.818 -17.030 2.093 1029 1HZ LYS 135 1HZ LYS 135 7.223 -17.439 4.063 1030 2HZ LYS 135 2HZ LYS 135 7.446 -19.041 3.549 1031 3HZ LYS 135 3HZ LYS 135 8.022 -17.757 2.597 1032 H LYS 136 H LYS 136 0.955 -16.203 6.498 1033 HA LYS 136 HA LYS 136 -0.590 -18.534 7.441 1034 1HB LYS 136 1HB LYS 136 -0.536 -17.433 9.618 1035 2HB LYS 136 2HB LYS 136 1.084 -17.407 8.919 1036 1HG LYS 136 1HG LYS 136 0.906 -15.119 8.315 1037 2HG LYS 136 2HG LYS 136 -0.843 -15.114 8.537 1038 1HD LYS 136 1HD LYS 136 0.861 -15.820 10.889 1039 2HD LYS 136 2HD LYS 136 0.787 -14.127 10.402 1040 1HE LYS 136 1HE LYS 136 -1.312 -13.895 11.202 1041 2HE LYS 136 2HE LYS 136 -1.851 -15.369 10.397 1042 1HZ LYS 136 1HZ LYS 136 -0.099 -15.802 12.650 1043 2HZ LYS 136 2HZ LYS 136 -1.586 -15.092 13.055 1044 3HZ LYS 136 3HZ LYS 136 -1.551 -16.581 12.235 1045 H ALA 137 H ALA 137 -1.361 -15.956 5.590 1046 HA ALA 137 HA ALA 137 -3.977 -15.475 6.938 1047 1HB ALA 137 1HB ALA 137 -2.280 -13.629 5.977 1048 2HB ALA 137 2HB ALA 137 -3.183 -13.955 4.498 1049 3HB ALA 137 3HB ALA 137 -4.028 -13.399 5.943 1050 H MET 138 H MET 138 -3.663 -17.972 5.717 1051 HA MET 138 HA MET 138 -5.216 -17.675 3.179 1052 1HB MET 138 1HB MET 138 -3.300 -19.778 4.171 1053 2HB MET 138 2HB MET 138 -4.490 -20.166 2.928 1054 1HG MET 138 1HG MET 138 -3.565 -18.665 1.388 1055 2HG MET 138 2HG MET 138 -2.770 -17.717 2.644 1056 1HE MET 138 1HE MET 138 -1.120 -18.060 0.399 1057 2HE MET 138 2HE MET 138 -0.177 -19.531 0.129 1058 3HE MET 138 3HE MET 138 -1.895 -19.500 -0.255 Start of MODEL 19 1 1H ALA 1 1H ALA 1 -23.687 1.269 12.350 2 2H ALA 1 2H ALA 1 -23.352 0.407 13.776 3 3H ALA 1 3H ALA 1 -22.460 1.799 13.399 4 HA ALA 1 HA ALA 1 -20.950 0.348 12.627 5 1HB ALA 1 1HB ALA 1 -23.223 -1.449 12.962 6 2HB ALA 1 2HB ALA 1 -22.266 -1.864 11.539 7 3HB ALA 1 3HB ALA 1 -21.498 -1.785 13.126 8 H MET 2 H MET 2 -20.358 1.521 10.828 9 HA MET 2 HA MET 2 -22.099 1.372 8.417 10 1HB MET 2 1HB MET 2 -21.039 3.568 9.458 11 2HB MET 2 2HB MET 2 -19.621 3.054 8.543 12 1HG MET 2 1HG MET 2 -20.957 2.962 6.486 13 2HG MET 2 2HG MET 2 -22.400 3.428 7.388 14 1HE MET 2 1HE MET 2 -23.019 5.168 8.223 15 2HE MET 2 2HE MET 2 -22.054 6.518 8.811 16 3HE MET 2 3HE MET 2 -22.864 6.624 7.242 17 H THR 3 H THR 3 -21.549 -0.103 6.882 18 HA THR 3 HA THR 3 -18.921 -1.417 7.018 19 HB THR 3 HB THR 3 -20.678 -1.963 4.695 20 HG1 THR 3 HG1 THR 3 -22.375 -2.559 5.798 21 1HG2 THR 3 1HG2 THR 3 -18.973 -3.416 6.656 22 2HG2 THR 3 2HG2 THR 3 -20.309 -4.314 5.937 23 3HG2 THR 3 3HG2 THR 3 -19.074 -3.593 4.905 24 H TYR 4 H TYR 4 -18.724 -1.843 4.109 25 HA TYR 4 HA TYR 4 -17.832 0.918 3.362 26 1HB TYR 4 1HB TYR 4 -16.394 -1.563 3.741 27 2HB TYR 4 2HB TYR 4 -16.089 -0.807 2.205 28 HD1 TYR 4 HD1 TYR 4 -16.292 0.004 5.806 29 HD2 TYR 4 HD2 TYR 4 -14.566 0.756 1.978 30 HE1 TYR 4 HE1 TYR 4 -14.665 1.483 6.860 31 HE2 TYR 4 HE2 TYR 4 -12.899 2.235 2.959 32 HH TYR 4 HH TYR 4 -13.046 3.732 5.466 33 H HIS 5 H HIS 5 -16.767 0.835 1.337 34 HA HIS 5 HA HIS 5 -17.620 -0.887 -0.836 35 1HB HIS 5 1HB HIS 5 -19.390 0.901 -0.855 36 2HB HIS 5 2HB HIS 5 -18.114 2.113 -0.920 37 HD1 HIS 5 HD1 HIS 5 -16.224 1.161 -3.017 38 HD2 HIS 5 HD2 HIS 5 -20.334 0.661 -3.412 39 HE1 HIS 5 HE1 HIS 5 -16.638 0.750 -5.459 40 H LEU 6 H LEU 6 -15.271 -1.323 -0.674 41 HA LEU 6 HA LEU 6 -13.471 0.973 -0.824 42 1HB LEU 6 1HB LEU 6 -13.276 -1.500 0.350 43 2HB LEU 6 2HB LEU 6 -12.342 -1.731 -1.120 44 HG LEU 6 HG LEU 6 -10.808 -0.896 0.476 45 1HD1 LEU 6 1HD1 LEU 6 -10.781 0.212 -1.753 46 2HD1 LEU 6 2HD1 LEU 6 -11.815 1.475 -1.099 47 3HD1 LEU 6 3HD1 LEU 6 -10.179 1.264 -0.471 48 1HD2 LEU 6 1HD2 LEU 6 -12.994 1.073 1.134 49 2HD2 LEU 6 2HD2 LEU 6 -12.300 -0.154 2.195 50 3HD2 LEU 6 3HD2 LEU 6 -11.343 1.251 1.714 51 H ASP 7 H ASP 7 -12.491 1.535 -2.840 52 HA ASP 7 HA ASP 7 -12.513 -0.497 -5.001 53 1HB ASP 7 1HB ASP 7 -14.445 1.554 -4.855 54 2HB ASP 7 2HB ASP 7 -13.299 2.065 -6.095 55 H VAL 8 H VAL 8 -10.176 -0.378 -4.573 56 HA VAL 8 HA VAL 8 -8.931 2.150 -5.569 57 HB VAL 8 HB VAL 8 -8.139 1.669 -3.355 58 1HG1 VAL 8 1HG1 VAL 8 -8.254 -1.119 -4.357 59 2HG1 VAL 8 2HG1 VAL 8 -6.900 -0.754 -3.287 60 3HG1 VAL 8 3HG1 VAL 8 -8.556 -0.492 -2.737 61 1HG2 VAL 8 1HG2 VAL 8 -6.470 1.940 -5.469 62 2HG2 VAL 8 2HG2 VAL 8 -5.894 1.806 -3.808 63 3HG2 VAL 8 3HG2 VAL 8 -5.913 0.384 -4.852 64 H VAL 9 H VAL 9 -8.734 1.819 -7.770 65 HA VAL 9 HA VAL 9 -7.596 -0.791 -8.669 66 HB VAL 9 HB VAL 9 -8.441 -0.217 -10.886 67 1HG1 VAL 9 1HG1 VAL 9 -10.009 -1.253 -9.270 68 2HG1 VAL 9 2HG1 VAL 9 -10.513 0.353 -8.742 69 3HG1 VAL 9 3HG1 VAL 9 -10.849 -0.180 -10.390 70 1HG2 VAL 9 1HG2 VAL 9 -8.259 2.421 -9.902 71 2HG2 VAL 9 2HG2 VAL 9 -8.826 1.920 -11.496 72 3HG2 VAL 9 3HG2 VAL 9 -9.977 2.135 -10.177 73 H SER 10 H SER 10 -5.836 -0.732 -10.231 74 HA SER 10 HA SER 10 -4.152 1.712 -9.913 75 1HB SER 10 1HB SER 10 -2.248 0.274 -10.413 76 2HB SER 10 2HB SER 10 -3.203 -0.469 -9.134 77 HG SER 10 HG SER 10 -4.303 -1.485 -11.114 78 H ALA 11 H ALA 11 -2.420 1.024 -12.130 79 HA ALA 11 HA ALA 11 -3.512 2.482 -14.231 80 1HB ALA 11 1HB ALA 11 -1.429 0.332 -14.101 81 2HB ALA 11 2HB ALA 11 -1.970 0.889 -15.684 82 3HB ALA 11 3HB ALA 11 -1.256 2.031 -14.545 83 H GLU 12 H GLU 12 -3.665 -1.065 -13.810 84 HA GLU 12 HA GLU 12 -6.250 -1.132 -15.174 85 1HB GLU 12 1HB GLU 12 -5.424 -2.784 -16.909 86 2HB GLU 12 2HB GLU 12 -4.867 -1.128 -17.149 87 1HG GLU 12 1HG GLU 12 -2.892 -2.082 -15.537 88 2HG GLU 12 2HG GLU 12 -3.327 -3.549 -16.417 89 H GLN 13 H GLN 13 -6.081 -1.873 -12.689 90 HA GLN 13 HA GLN 13 -6.504 -4.751 -12.729 91 1HB GLN 13 1HB GLN 13 -3.903 -4.176 -12.435 92 2HB GLN 13 2HB GLN 13 -4.406 -3.970 -10.756 93 1HG GLN 13 1HG GLN 13 -4.277 -6.210 -10.540 94 2HG GLN 13 2HG GLN 13 -5.687 -6.315 -11.595 95 1HE2 GLN 13 2HE2 GLN 13 -5.356 -7.513 -13.474 96 2HE2 GLN 13 1HE2 GLN 13 -3.846 -7.800 -14.192 97 H GLN 14 H GLN 14 -8.272 -4.929 -11.450 98 HA GLN 14 HA GLN 14 -8.925 -2.872 -9.486 99 1HB GLN 14 1HB GLN 14 -10.864 -4.467 -8.994 100 2HB GLN 14 2HB GLN 14 -10.780 -3.842 -10.641 101 1HG GLN 14 1HG GLN 14 -9.203 -6.275 -10.309 102 2HG GLN 14 2HG GLN 14 -10.905 -6.529 -9.923 103 1HE2 GLN 14 2HE2 GLN 14 -11.791 -7.444 -11.801 104 2HE2 GLN 14 1HE2 GLN 14 -11.610 -6.800 -13.361 105 H MET 15 H MET 15 -8.028 -2.864 -7.488 106 HA MET 15 HA MET 15 -6.843 -5.330 -6.395 107 1HB MET 15 1HB MET 15 -6.890 -2.443 -5.511 108 2HB MET 15 2HB MET 15 -6.271 -3.719 -4.463 109 1HG MET 15 1HG MET 15 -4.548 -4.290 -6.001 110 2HG MET 15 2HG MET 15 -5.299 -3.366 -7.302 111 1HE MET 15 1HE MET 15 -2.876 -3.862 -5.138 112 2HE MET 15 2HE MET 15 -1.877 -2.621 -5.906 113 3HE MET 15 3HE MET 15 -2.381 -2.437 -4.228 114 H PHE 16 H PHE 16 -8.830 -2.857 -4.743 115 HA PHE 16 HA PHE 16 -10.353 -5.125 -3.526 116 1HB PHE 16 1HB PHE 16 -8.963 -3.814 -1.914 117 2HB PHE 16 2HB PHE 16 -9.882 -2.373 -2.343 118 HD1 PHE 16 HD1 PHE 16 -11.988 -5.191 -2.623 119 HD2 PHE 16 HD2 PHE 16 -10.266 -2.567 0.315 120 HE1 PHE 16 HE1 PHE 16 -13.724 -5.863 -0.995 121 HE2 PHE 16 HE2 PHE 16 -12.010 -3.219 1.916 122 HZ PHE 16 HZ PHE 16 -13.730 -4.873 1.277 123 H SER 17 H SER 17 -12.358 -5.235 -4.431 124 HA SER 17 HA SER 17 -13.866 -2.699 -4.642 125 1HB SER 17 1HB SER 17 -14.760 -3.326 -6.839 126 2HB SER 17 2HB SER 17 -13.008 -3.190 -6.901 127 HG SER 17 HG SER 17 -14.124 -5.156 -7.823 128 H GLY 18 H GLY 18 -15.069 -3.323 -2.813 129 1HA GLY 18 1HA GLY 18 -17.435 -4.811 -3.247 130 2HA GLY 18 2HA GLY 18 -16.283 -5.893 -2.464 131 H LEU 19 H LEU 19 -18.172 -5.673 -0.787 132 HA LEU 19 HA LEU 19 -18.316 -3.217 0.748 133 1HB LEU 19 1HB LEU 19 -19.102 -6.028 1.578 134 2HB LEU 19 2HB LEU 19 -19.640 -4.526 2.330 135 HG LEU 19 HG LEU 19 -20.275 -5.530 -0.452 136 1HD1 LEU 19 1HD1 LEU 19 -21.985 -4.700 1.913 137 2HD1 LEU 19 2HD1 LEU 19 -22.601 -5.227 0.346 138 3HD1 LEU 19 3HD1 LEU 19 -21.709 -6.354 1.368 139 1HD2 LEU 19 1HD2 LEU 19 -20.486 -2.771 0.751 140 2HD2 LEU 19 2HD2 LEU 19 -19.859 -3.234 -0.830 141 3HD2 LEU 19 3HD2 LEU 19 -21.594 -3.290 -0.518 142 H VAL 20 H VAL 20 -17.474 -2.906 2.929 143 HA VAL 20 HA VAL 20 -15.430 -4.816 3.888 144 HB VAL 20 HB VAL 20 -13.616 -3.780 3.025 145 1HG1 VAL 20 1HG1 VAL 20 -15.773 -2.447 1.617 146 2HG1 VAL 20 2HG1 VAL 20 -14.395 -1.382 1.813 147 3HG1 VAL 20 3HG1 VAL 20 -14.209 -2.933 1.031 148 1HG2 VAL 20 1HG2 VAL 20 -14.636 -1.548 4.725 149 2HG2 VAL 20 2HG2 VAL 20 -13.042 -2.304 4.686 150 3HG2 VAL 20 3HG2 VAL 20 -13.475 -1.098 3.465 151 H GLU 21 H GLU 21 -14.237 -3.461 5.911 152 HA GLU 21 HA GLU 21 -16.309 -1.830 7.262 153 1HB GLU 21 1HB GLU 21 -16.356 -4.493 7.754 154 2HB GLU 21 2HB GLU 21 -15.160 -3.992 8.950 155 1HG GLU 21 1HG GLU 21 -16.785 -2.213 9.707 156 2HG GLU 21 2HG GLU 21 -17.987 -2.948 8.646 157 H LYS 22 H LYS 22 -13.036 -3.242 7.427 158 HA LYS 22 HA LYS 22 -12.185 -0.667 8.652 159 1HB LYS 22 1HB LYS 22 -11.877 -3.412 9.791 160 2HB LYS 22 2HB LYS 22 -10.549 -2.271 10.009 161 1HG LYS 22 1HG LYS 22 -11.861 -1.810 11.882 162 2HG LYS 22 2HG LYS 22 -12.467 -0.619 10.730 163 1HD LYS 22 1HD LYS 22 -14.488 -1.656 10.518 164 2HD LYS 22 2HD LYS 22 -13.780 -3.269 10.613 165 1HE LYS 22 1HE LYS 22 -14.278 -3.415 12.804 166 2HE LYS 22 2HE LYS 22 -13.446 -1.895 13.133 167 1HZ LYS 22 1HZ LYS 22 -15.445 -0.717 12.387 168 2HZ LYS 22 2HZ LYS 22 -16.240 -2.204 12.170 169 3HZ LYS 22 3HZ LYS 22 -15.757 -1.713 13.724 170 H ILE 23 H ILE 23 -11.217 -0.104 6.654 171 HA ILE 23 HA ILE 23 -9.060 -1.898 5.653 172 HB ILE 23 HB ILE 23 -10.238 -1.234 3.769 173 1HG1 ILE 23 1HG1 ILE 23 -8.287 1.061 4.181 174 2HG1 ILE 23 2HG1 ILE 23 -7.905 -0.496 3.455 175 1HG2 ILE 23 1HG2 ILE 23 -10.662 1.426 5.151 176 2HG2 ILE 23 2HG2 ILE 23 -11.223 1.053 3.524 177 3HG2 ILE 23 3HG2 ILE 23 -11.863 0.160 4.900 178 1HD1 ILE 23 1HD1 ILE 23 -9.822 0.052 1.792 179 2HD1 ILE 23 2HD1 ILE 23 -9.632 1.711 2.359 180 3HD1 ILE 23 3HD1 ILE 23 -8.280 0.882 1.589 181 H GLN 24 H GLN 24 -6.910 -0.849 5.216 182 HA GLN 24 HA GLN 24 -6.435 1.649 6.740 183 1HB GLN 24 1HB GLN 24 -5.179 -1.027 7.367 184 2HB GLN 24 2HB GLN 24 -4.446 0.499 7.863 185 1HG GLN 24 1HG GLN 24 -6.784 1.049 8.853 186 2HG GLN 24 2HG GLN 24 -7.084 -0.683 8.714 187 1HE2 GLN 24 2HE2 GLN 24 -7.122 -0.758 11.133 188 2HE2 GLN 24 1HE2 GLN 24 -5.660 -0.753 11.995 189 H VAL 25 H VAL 25 -4.130 2.400 6.418 190 HA VAL 25 HA VAL 25 -2.646 1.276 4.166 191 HB VAL 25 HB VAL 25 -4.296 2.495 2.892 192 1HG1 VAL 25 1HG1 VAL 25 -3.756 4.633 4.941 193 2HG1 VAL 25 2HG1 VAL 25 -4.389 5.064 3.352 194 3HG1 VAL 25 3HG1 VAL 25 -5.305 3.983 4.402 195 1HG2 VAL 25 1HG2 VAL 25 -1.835 2.726 2.297 196 2HG2 VAL 25 2HG2 VAL 25 -2.873 4.014 1.686 197 3HG2 VAL 25 3HG2 VAL 25 -1.868 4.292 3.107 198 H THR 26 H THR 26 -0.511 2.029 4.191 199 HA THR 26 HA THR 26 0.105 4.185 6.170 200 HB THR 26 HB THR 26 1.483 1.506 5.831 201 HG1 THR 26 HG1 THR 26 -0.063 1.307 7.318 202 1HG2 THR 26 1HG2 THR 26 3.091 3.447 5.983 203 2HG2 THR 26 2HG2 THR 26 2.378 3.833 7.549 204 3HG2 THR 26 3HG2 THR 26 3.211 2.296 7.314 205 H GLY 27 H GLY 27 1.384 5.750 5.322 206 1HA GLY 27 1HA GLY 27 3.540 6.112 3.998 207 2HA GLY 27 2HA GLY 27 2.768 5.147 2.740 208 H SER 28 H SER 28 0.590 7.154 4.450 209 HA SER 28 HA SER 28 0.657 9.120 2.194 210 1HB SER 28 1HB SER 28 -1.401 7.467 2.731 211 2HB SER 28 2HB SER 28 -1.816 8.786 3.822 212 HG SER 28 HG SER 28 -2.700 9.147 1.771 213 H GLU 29 H GLU 29 -1.298 10.832 3.555 214 HA GLU 29 HA GLU 29 0.443 12.573 4.951 215 1HB GLU 29 1HB GLU 29 -2.189 12.675 4.111 216 2HB GLU 29 2HB GLU 29 -2.344 12.694 5.868 217 1HG GLU 29 1HG GLU 29 -0.256 14.433 5.479 218 2HG GLU 29 2HG GLU 29 -1.252 14.747 4.058 219 H GLY 30 H GLY 30 1.619 11.597 6.612 220 1HA GLY 30 1HA GLY 30 1.920 11.073 8.903 221 2HA GLY 30 2HA GLY 30 0.169 11.135 9.113 222 H GLU 31 H GLU 31 -1.047 9.234 8.807 223 HA GLU 31 HA GLU 31 -0.037 6.820 7.646 224 1HB GLU 31 1HB GLU 31 1.236 7.275 10.000 225 2HB GLU 31 2HB GLU 31 -0.177 6.390 10.577 226 1HG GLU 31 1HG GLU 31 0.291 4.547 9.065 227 2HG GLU 31 2HG GLU 31 1.620 5.444 8.329 228 H LEU 32 H LEU 32 -2.520 8.479 7.979 229 HA LEU 32 HA LEU 32 -4.380 6.944 9.575 230 1HB LEU 32 1HB LEU 32 -4.705 9.008 7.397 231 2HB LEU 32 2HB LEU 32 -6.106 8.158 8.062 232 HG LEU 32 HG LEU 32 -4.106 9.857 9.590 233 1HD1 LEU 32 1HD1 LEU 32 -6.488 10.495 8.228 234 2HD1 LEU 32 2HD1 LEU 32 -6.919 10.457 9.938 235 3HD1 LEU 32 3HD1 LEU 32 -5.620 11.512 9.379 236 1HD2 LEU 32 1HD2 LEU 32 -6.106 7.819 10.457 237 2HD2 LEU 32 2HD2 LEU 32 -4.583 8.290 11.213 238 3HD2 LEU 32 3HD2 LEU 32 -6.013 9.305 11.402 239 H GLY 33 H GLY 33 -5.848 5.360 8.887 240 1HA GLY 33 1HA GLY 33 -5.102 4.024 6.335 241 2HA GLY 33 2HA GLY 33 -5.988 3.266 7.666 242 H ILE 34 H ILE 34 -8.091 2.936 7.125 243 HA ILE 34 HA ILE 34 -9.612 5.186 5.997 244 HB ILE 34 HB ILE 34 -9.314 2.547 4.541 245 1HG1 ILE 34 1HG1 ILE 34 -7.619 4.387 4.151 246 2HG1 ILE 34 2HG1 ILE 34 -8.537 3.930 2.714 247 1HG2 ILE 34 1HG2 ILE 34 -11.531 4.458 4.672 248 2HG2 ILE 34 2HG2 ILE 34 -10.933 4.221 3.031 249 3HG2 ILE 34 3HG2 ILE 34 -11.487 2.841 3.970 250 1HD1 ILE 34 1HD1 ILE 34 -10.153 5.799 3.265 251 2HD1 ILE 34 2HD1 ILE 34 -9.009 6.329 4.504 252 3HD1 ILE 34 3HD1 ILE 34 -8.535 6.337 2.804 253 H TYR 35 H TYR 35 -11.453 5.271 7.111 254 HA TYR 35 HA TYR 35 -12.752 2.744 8.002 255 1HB TYR 35 1HB TYR 35 -12.812 5.081 9.857 256 2HB TYR 35 2HB TYR 35 -12.814 3.360 10.227 257 HD1 TYR 35 HD1 TYR 35 -10.557 6.004 8.769 258 HD2 TYR 35 HD2 TYR 35 -10.878 2.359 11.028 259 HE1 TYR 35 HE1 TYR 35 -8.122 6.066 9.220 260 HE2 TYR 35 HE2 TYR 35 -8.440 2.425 11.477 261 HH TYR 35 HH TYR 35 -6.633 4.744 11.461 262 HA PRO 36 HA PRO 36 -16.490 4.850 6.959 263 1HB PRO 36 1HB PRO 36 -18.101 4.888 9.193 264 2HB PRO 36 2HB PRO 36 -17.792 3.437 8.225 265 1HG PRO 36 1HG PRO 36 -16.726 4.162 10.906 266 2HG PRO 36 2HG PRO 36 -16.937 2.561 10.179 267 1HD PRO 36 1HD PRO 36 -14.505 3.989 10.408 268 2HD PRO 36 2HD PRO 36 -14.767 2.528 9.432 269 H GLY 37 H GLY 37 -15.366 6.920 6.675 270 1HA GLY 37 1HA GLY 37 -16.082 9.284 6.967 271 2HA GLY 37 2HA GLY 37 -16.196 8.959 8.700 272 H HIS 38 H HIS 38 -13.677 8.231 6.269 273 HA HIS 38 HA HIS 38 -11.610 9.054 8.186 274 1HB HIS 38 1HB HIS 38 -11.153 7.088 6.870 275 2HB HIS 38 2HB HIS 38 -11.494 7.940 5.366 276 HD1 HIS 38 HD1 HIS 38 -9.386 8.510 4.184 277 HD2 HIS 38 HD2 HIS 38 -8.909 8.723 8.319 278 HE1 HIS 38 HE1 HIS 38 -6.994 9.233 4.592 279 H ALA 39 H ALA 39 -13.191 11.237 7.594 280 HA ALA 39 HA ALA 39 -13.071 13.458 6.851 281 1HB ALA 39 1HB ALA 39 -10.500 12.667 7.676 282 2HB ALA 39 2HB ALA 39 -10.261 13.506 6.144 283 3HB ALA 39 3HB ALA 39 -11.086 14.318 7.475 284 HA PRO 40 HA PRO 40 -13.124 13.434 2.459 285 1HB PRO 40 1HB PRO 40 -12.900 16.132 1.984 286 2HB PRO 40 2HB PRO 40 -14.374 15.370 2.604 287 1HG PRO 40 1HG PRO 40 -12.380 17.045 4.050 288 2HG PRO 40 2HG PRO 40 -14.092 16.774 4.414 289 1HD PRO 40 1HD PRO 40 -11.887 15.548 5.718 290 2HD PRO 40 2HD PRO 40 -13.595 15.084 5.877 291 H LEU 41 H LEU 41 -10.734 12.454 2.819 292 HA LEU 41 HA LEU 41 -8.548 14.274 2.168 293 1HB LEU 41 1HB LEU 41 -8.854 11.449 2.886 294 2HB LEU 41 2HB LEU 41 -7.638 11.707 1.635 295 HG LEU 41 HG LEU 41 -6.630 11.869 3.880 296 1HD1 LEU 41 1HD1 LEU 41 -6.236 13.562 1.786 297 2HD1 LEU 41 2HD1 LEU 41 -6.636 14.715 3.057 298 3HD1 LEU 41 3HD1 LEU 41 -5.280 13.607 3.267 299 1HD2 LEU 41 1HD2 LEU 41 -8.679 14.080 4.221 300 2HD2 LEU 41 2HD2 LEU 41 -8.539 12.602 5.175 301 3HD2 LEU 41 3HD2 LEU 41 -7.299 13.851 5.296 302 H LEU 42 H LEU 42 -7.645 14.624 0.140 303 HA LEU 42 HA LEU 42 -8.466 12.960 -2.141 304 1HB LEU 42 1HB LEU 42 -10.279 14.697 -1.828 305 2HB LEU 42 2HB LEU 42 -9.061 15.930 -2.154 306 HG LEU 42 HG LEU 42 -8.556 14.627 -4.306 307 1HD1 LEU 42 1HD1 LEU 42 -10.234 12.767 -3.190 308 2HD1 LEU 42 2HD1 LEU 42 -11.324 13.608 -4.292 309 3HD1 LEU 42 3HD1 LEU 42 -9.853 12.858 -4.909 310 1HD2 LEU 42 1HD2 LEU 42 -10.074 16.763 -3.894 311 2HD2 LEU 42 2HD2 LEU 42 -10.052 15.975 -5.472 312 3HD2 LEU 42 3HD2 LEU 42 -11.372 15.658 -4.347 313 H THR 43 H THR 43 -5.989 12.825 -1.583 314 HA THR 43 HA THR 43 -4.624 14.792 -3.357 315 HB THR 43 HB THR 43 -3.899 15.658 -1.325 316 HG1 THR 43 HG1 THR 43 -2.103 14.861 -2.516 317 1HG2 THR 43 1HG2 THR 43 -4.397 12.881 -0.357 318 2HG2 THR 43 2HG2 THR 43 -3.220 13.854 0.525 319 3HG2 THR 43 3HG2 THR 43 -4.880 14.422 0.352 320 H ALA 44 H ALA 44 -2.867 12.420 -1.483 321 HA ALA 44 HA ALA 44 -2.931 10.445 -3.673 322 1HB ALA 44 1HB ALA 44 -0.437 11.978 -2.884 323 2HB ALA 44 2HB ALA 44 -0.397 10.462 -3.784 324 3HB ALA 44 3HB ALA 44 -1.173 11.882 -4.484 325 H ILE 45 H ILE 45 -1.661 8.452 -3.011 326 HA ILE 45 HA ILE 45 -1.692 8.218 -0.037 327 HB ILE 45 HB ILE 45 -1.943 5.917 -1.974 328 1HG1 ILE 45 1HG1 ILE 45 -4.398 6.814 -0.634 329 2HG1 ILE 45 2HG1 ILE 45 -3.775 7.984 -1.798 330 1HG2 ILE 45 1HG2 ILE 45 -2.426 6.355 0.970 331 2HG2 ILE 45 2HG2 ILE 45 -3.186 5.016 0.111 332 3HG2 ILE 45 3HG2 ILE 45 -1.427 5.127 0.191 333 1HD1 ILE 45 1HD1 ILE 45 -3.480 5.560 -3.116 334 2HD1 ILE 45 2HD1 ILE 45 -5.017 5.378 -2.272 335 3HD1 ILE 45 3HD1 ILE 45 -4.778 6.723 -3.387 336 H LYS 46 H LYS 46 0.417 8.614 -2.428 337 HA LYS 46 HA LYS 46 2.676 8.022 -2.777 338 1HB LYS 46 1HB LYS 46 2.202 8.661 -0.027 339 2HB LYS 46 2HB LYS 46 3.396 7.366 -0.093 340 1HG LYS 46 1HG LYS 46 4.832 9.133 -0.392 341 2HG LYS 46 2HG LYS 46 4.346 8.927 -2.076 342 1HD LYS 46 1HD LYS 46 3.699 11.092 -1.991 343 2HD LYS 46 2HD LYS 46 2.327 10.516 -1.042 344 1HE LYS 46 1HE LYS 46 3.636 12.393 0.040 345 2HE LYS 46 2HE LYS 46 3.481 10.941 1.028 346 1HZ LYS 46 1HZ LYS 46 5.753 10.774 -0.659 347 2HZ LYS 46 2HZ LYS 46 5.816 12.193 0.272 348 3HZ LYS 46 3HZ LYS 46 5.668 10.687 1.036 349 HA PRO 47 HA PRO 47 3.324 3.666 -2.680 350 1HB PRO 47 1HB PRO 47 5.986 3.413 -2.043 351 2HB PRO 47 2HB PRO 47 5.408 4.002 -3.611 352 1HG PRO 47 1HG PRO 47 6.635 5.535 -1.373 353 2HG PRO 47 2HG PRO 47 6.583 5.920 -3.101 354 1HD PRO 47 1HD PRO 47 4.939 7.043 -1.074 355 2HD PRO 47 2HD PRO 47 4.725 7.230 -2.828 356 H GLY 48 H GLY 48 2.496 2.311 -1.110 357 1HA GLY 48 1HA GLY 48 3.958 1.843 1.362 358 2HA GLY 48 2HA GLY 48 2.443 2.702 1.634 359 H MET 49 H MET 49 1.585 0.865 2.783 360 HA MET 49 HA MET 49 0.747 -1.353 0.953 361 1HB MET 49 1HB MET 49 0.907 -2.901 2.885 362 2HB MET 49 2HB MET 49 2.472 -2.188 2.497 363 1HG MET 49 1HG MET 49 2.531 -1.691 4.719 364 2HG MET 49 2HG MET 49 1.487 -0.346 4.256 365 1HE MET 49 1HE MET 49 1.633 -3.957 4.670 366 2HE MET 49 2HE MET 49 0.505 -4.402 5.948 367 3HE MET 49 3HE MET 49 -0.060 -4.253 4.279 368 H ILE 50 H ILE 50 -1.072 -2.656 2.465 369 HA ILE 50 HA ILE 50 -2.835 -0.691 3.789 370 HB ILE 50 HB ILE 50 -3.448 -2.000 1.146 371 1HG1 ILE 50 1HG1 ILE 50 -3.828 0.773 2.317 372 2HG1 ILE 50 2HG1 ILE 50 -2.647 0.296 1.098 373 1HG2 ILE 50 1HG2 ILE 50 -5.295 -1.553 3.425 374 2HG2 ILE 50 2HG2 ILE 50 -5.858 -0.957 1.864 375 3HG2 ILE 50 3HG2 ILE 50 -5.439 -2.659 2.060 376 1HD1 ILE 50 1HD1 ILE 50 -4.564 -0.378 -0.390 377 2HD1 ILE 50 2HD1 ILE 50 -5.662 0.323 0.800 378 3HD1 ILE 50 3HD1 ILE 50 -4.502 1.350 -0.044 379 H ARG 51 H ARG 51 -4.380 -1.680 5.128 380 HA ARG 51 HA ARG 51 -4.401 -4.659 5.226 381 1HB ARG 51 1HB ARG 51 -2.791 -3.829 6.933 382 2HB ARG 51 2HB ARG 51 -4.068 -2.831 7.629 383 1HG ARG 51 1HG ARG 51 -4.503 -4.626 8.943 384 2HG ARG 51 2HG ARG 51 -5.265 -5.312 7.508 385 1HD ARG 51 1HD ARG 51 -2.690 -5.948 6.991 386 2HD ARG 51 2HD ARG 51 -2.647 -5.962 8.754 387 HE ARG 51 HE ARG 51 -4.651 -7.576 7.230 388 1HH1 ARG 51 1HH1 ARG 51 -4.208 -7.159 10.343 389 2HH1 ARG 51 2HH1 ARG 51 -3.556 -8.715 10.733 390 1HH2 ARG 51 1HH2 ARG 51 -2.966 -9.589 7.429 391 2HH2 ARG 51 2HH2 ARG 51 -2.852 -10.091 9.082 392 H ILE 52 H ILE 52 -6.532 -5.308 5.181 393 HA ILE 52 HA ILE 52 -8.536 -3.425 6.338 394 HB ILE 52 HB ILE 52 -8.994 -5.124 3.898 395 1HG1 ILE 52 1HG1 ILE 52 -8.345 -2.171 4.019 396 2HG1 ILE 52 2HG1 ILE 52 -7.224 -3.422 3.492 397 1HG2 ILE 52 1HG2 ILE 52 -10.535 -2.970 5.325 398 2HG2 ILE 52 2HG2 ILE 52 -10.853 -3.359 3.635 399 3HG2 ILE 52 3HG2 ILE 52 -11.068 -4.592 4.881 400 1HD1 ILE 52 1HD1 ILE 52 -9.318 -4.041 1.919 401 2HD1 ILE 52 2HD1 ILE 52 -9.611 -2.312 2.109 402 3HD1 ILE 52 3HD1 ILE 52 -8.084 -2.879 1.435 403 H VAL 53 H VAL 53 -10.678 -4.518 6.749 404 HA VAL 53 HA VAL 53 -10.393 -7.389 7.439 405 HB VAL 53 HB VAL 53 -11.227 -5.144 9.293 406 1HG1 VAL 53 1HG1 VAL 53 -11.514 -8.141 9.654 407 2HG1 VAL 53 2HG1 VAL 53 -11.820 -6.928 10.898 408 3HG1 VAL 53 3HG1 VAL 53 -12.838 -6.991 9.458 409 1HG2 VAL 53 1HG2 VAL 53 -8.904 -6.954 9.005 410 2HG2 VAL 53 2HG2 VAL 53 -9.002 -5.359 9.751 411 3HG2 VAL 53 3HG2 VAL 53 -9.518 -6.787 10.651 412 H LYS 54 H LYS 54 -12.435 -8.464 7.581 413 HA LYS 54 HA LYS 54 -14.747 -8.770 7.225 414 1HB LYS 54 1HB LYS 54 -14.850 -6.319 8.144 415 2HB LYS 54 2HB LYS 54 -15.051 -5.881 6.447 416 1HG LYS 54 1HG LYS 54 -16.725 -8.127 7.452 417 2HG LYS 54 2HG LYS 54 -17.138 -6.512 8.030 418 1HD LYS 54 1HD LYS 54 -17.930 -5.868 6.007 419 2HD LYS 54 2HD LYS 54 -16.576 -6.606 5.149 420 1HE LYS 54 1HE LYS 54 -18.200 -8.052 4.429 421 2HE LYS 54 2HE LYS 54 -17.860 -8.841 5.969 422 1HZ LYS 54 1HZ LYS 54 -19.643 -6.820 6.538 423 2HZ LYS 54 2HZ LYS 54 -20.228 -7.534 5.114 424 3HZ LYS 54 3HZ LYS 54 -19.966 -8.487 6.497 425 H GLN 55 H GLN 55 -13.988 -6.121 4.946 426 HA GLN 55 HA GLN 55 -14.297 -6.094 2.608 427 1HB GLN 55 1HB GLN 55 -12.041 -7.051 2.834 428 2HB GLN 55 2HB GLN 55 -12.729 -8.669 2.973 429 1HG GLN 55 1HG GLN 55 -13.775 -7.321 0.631 430 2HG GLN 55 2HG GLN 55 -12.012 -7.337 0.599 431 1HE2 GLN 55 2HE2 GLN 55 -11.009 -9.595 1.101 432 2HE2 GLN 55 1HE2 GLN 55 -11.830 -10.948 0.488 433 H HIS 56 H HIS 56 -14.237 -9.598 2.503 434 HA HIS 56 HA HIS 56 -17.157 -9.827 2.470 435 1HB HIS 56 1HB HIS 56 -15.949 -9.101 0.090 436 2HB HIS 56 2HB HIS 56 -16.068 -10.854 -0.052 437 HD1 HIS 56 HD1 HIS 56 -17.861 -8.825 -1.695 438 HD2 HIS 56 HD2 HIS 56 -19.033 -10.802 1.783 439 HE1 HIS 56 HE1 HIS 56 -20.393 -8.883 -1.723 440 H GLY 57 H GLY 57 -15.121 -11.071 4.043 441 1HA GLY 57 1HA GLY 57 -15.875 -13.708 4.182 442 2HA GLY 57 2HA GLY 57 -14.615 -13.736 2.948 443 H HIS 58 H HIS 58 -13.007 -11.622 4.123 444 HA HIS 58 HA HIS 58 -12.368 -12.299 6.864 445 1HB HIS 58 1HB HIS 58 -11.508 -14.227 5.189 446 2HB HIS 58 2HB HIS 58 -10.149 -13.114 5.055 447 HD1 HIS 58 HD1 HIS 58 -10.422 -12.069 8.076 448 HD2 HIS 58 HD2 HIS 58 -10.127 -16.049 6.870 449 HE1 HIS 58 HE1 HIS 58 -9.542 -13.358 10.070 450 H GLU 59 H GLU 59 -9.472 -11.778 6.416 451 HA GLU 59 HA GLU 59 -9.719 -8.848 5.936 452 1HB GLU 59 1HB GLU 59 -7.725 -8.597 7.246 453 2HB GLU 59 2HB GLU 59 -8.741 -9.752 8.110 454 1HG GLU 59 1HG GLU 59 -7.201 -11.256 6.266 455 2HG GLU 59 2HG GLU 59 -6.091 -10.134 7.052 456 H GLU 60 H GLU 60 -7.930 -7.800 4.727 457 HA GLU 60 HA GLU 60 -6.209 -9.479 3.059 458 1HB GLU 60 1HB GLU 60 -7.154 -8.707 0.913 459 2HB GLU 60 2HB GLU 60 -8.351 -9.619 1.833 460 1HG GLU 60 1HG GLU 60 -9.736 -7.851 1.722 461 2HG GLU 60 2HG GLU 60 -8.576 -6.922 2.672 462 H PHE 61 H PHE 61 -4.442 -8.288 2.347 463 HA PHE 61 HA PHE 61 -4.492 -5.374 3.022 464 1HB PHE 61 1HB PHE 61 -1.892 -5.782 2.877 465 2HB PHE 61 2HB PHE 61 -2.775 -6.274 4.324 466 HD1 PHE 61 HD1 PHE 61 -1.538 -7.518 1.033 467 HD2 PHE 61 HD2 PHE 61 -2.820 -8.536 5.002 468 HE1 PHE 61 HE1 PHE 61 -0.838 -9.870 0.655 469 HE2 PHE 61 HE2 PHE 61 -2.120 -10.886 4.627 470 HZ PHE 61 HZ PHE 61 -1.130 -11.553 2.454 471 H ILE 62 H ILE 62 -3.488 -3.908 1.520 472 HA ILE 62 HA ILE 62 -3.055 -5.044 -1.213 473 HB ILE 62 HB ILE 62 -4.427 -2.422 -0.544 474 1HG1 ILE 62 1HG1 ILE 62 -5.820 -4.602 -2.008 475 2HG1 ILE 62 2HG1 ILE 62 -5.542 -4.880 -0.288 476 1HG2 ILE 62 1HG2 ILE 62 -3.503 -3.742 -3.072 477 2HG2 ILE 62 2HG2 ILE 62 -4.989 -2.791 -3.111 478 3HG2 ILE 62 3HG2 ILE 62 -3.470 -2.037 -2.624 479 1HD1 ILE 62 1HD1 ILE 62 -6.551 -2.633 0.181 480 2HD1 ILE 62 2HD1 ILE 62 -6.952 -2.502 -1.530 481 3HD1 ILE 62 3HD1 ILE 62 -7.686 -3.768 -0.547 482 H TYR 63 H TYR 63 -1.358 -4.088 -2.379 483 HA TYR 63 HA TYR 63 0.303 -2.159 -0.811 484 1HB TYR 63 1HB TYR 63 1.544 -4.177 -1.054 485 2HB TYR 63 2HB TYR 63 1.059 -4.362 -2.738 486 HD1 TYR 63 HD1 TYR 63 2.019 -2.928 -4.494 487 HD2 TYR 63 HD2 TYR 63 3.310 -2.644 -0.408 488 HE1 TYR 63 HE1 TYR 63 4.010 -1.643 -5.216 489 HE2 TYR 63 HE2 TYR 63 5.302 -1.354 -1.127 490 HH TYR 63 HH TYR 63 5.799 0.202 -3.290 491 H LEU 64 H LEU 64 0.663 -0.195 -1.740 492 HA LEU 64 HA LEU 64 -0.003 0.103 -4.643 493 1HB LEU 64 1HB LEU 64 -0.848 1.633 -2.257 494 2HB LEU 64 2HB LEU 64 -0.324 2.619 -3.623 495 HG LEU 64 HG LEU 64 -2.248 0.330 -4.010 496 1HD1 LEU 64 1HD1 LEU 64 -2.853 3.182 -3.186 497 2HD1 LEU 64 2HD1 LEU 64 -4.051 2.105 -3.903 498 3HD1 LEU 64 3HD1 LEU 64 -3.324 1.703 -2.347 499 1HD2 LEU 64 1HD2 LEU 64 -0.986 1.577 -5.897 500 2HD2 LEU 64 2HD2 LEU 64 -2.735 1.410 -6.060 501 3HD2 LEU 64 3HD2 LEU 64 -2.042 2.938 -5.517 502 H SER 65 H SER 65 1.076 2.237 -5.493 503 HA SER 65 HA SER 65 3.831 2.438 -4.341 504 1HB SER 65 1HB SER 65 4.803 2.250 -6.435 505 2HB SER 65 2HB SER 65 3.403 1.204 -6.662 506 HG SER 65 HG SER 65 2.313 3.094 -7.487 507 H GLY 66 H GLY 66 1.219 4.055 -6.115 508 1HA GLY 66 1HA GLY 66 1.464 6.526 -4.809 509 2HA GLY 66 2HA GLY 66 2.512 6.630 -6.224 510 H GLY 67 H GLY 67 -0.131 7.964 -5.557 511 1HA GLY 67 1HA GLY 67 -1.222 8.193 -8.113 512 2HA GLY 67 2HA GLY 67 -2.103 6.860 -7.367 513 H ILE 68 H ILE 68 -3.850 8.640 -7.800 514 HA ILE 68 HA ILE 68 -3.925 10.633 -5.590 515 HB ILE 68 HB ILE 68 -5.780 10.296 -7.970 516 1HG1 ILE 68 1HG1 ILE 68 -3.489 12.239 -7.519 517 2HG1 ILE 68 2HG1 ILE 68 -3.456 10.870 -8.630 518 1HG2 ILE 68 1HG2 ILE 68 -6.438 11.549 -5.722 519 2HG2 ILE 68 2HG2 ILE 68 -5.438 12.828 -6.408 520 3HG2 ILE 68 3HG2 ILE 68 -6.845 12.239 -7.291 521 1HD1 ILE 68 1HD1 ILE 68 -5.817 12.271 -9.249 522 2HD1 ILE 68 2HD1 ILE 68 -4.581 13.510 -9.029 523 3HD1 ILE 68 3HD1 ILE 68 -4.336 12.219 -10.204 524 H LEU 69 H LEU 69 -5.805 10.700 -4.176 525 HA LEU 69 HA LEU 69 -7.438 8.200 -4.221 526 1HB LEU 69 1HB LEU 69 -7.165 7.894 -1.868 527 2HB LEU 69 2HB LEU 69 -5.547 8.174 -2.512 528 HG LEU 69 HG LEU 69 -6.098 10.698 -1.997 529 1HD1 LEU 69 1HD1 LEU 69 -8.303 9.217 -0.763 530 2HD1 LEU 69 2HD1 LEU 69 -7.452 10.256 0.381 531 3HD1 LEU 69 3HD1 LEU 69 -8.153 10.946 -1.084 532 1HD2 LEU 69 1HD2 LEU 69 -5.383 8.574 0.040 533 2HD2 LEU 69 2HD2 LEU 69 -4.279 9.575 -0.902 534 3HD2 LEU 69 3HD2 LEU 69 -5.255 10.300 0.376 535 H GLU 70 H GLU 70 -9.495 8.384 -3.125 536 HA GLU 70 HA GLU 70 -10.432 11.072 -2.352 537 1HB GLU 70 1HB GLU 70 -12.420 10.854 -3.907 538 2HB GLU 70 2HB GLU 70 -10.886 11.152 -4.726 539 1HG GLU 70 1HG GLU 70 -10.652 8.759 -5.214 540 2HG GLU 70 2HG GLU 70 -12.150 8.421 -4.347 541 H VAL 71 H VAL 71 -11.399 10.608 -0.417 542 HA VAL 71 HA VAL 71 -12.717 7.951 -0.129 543 HB VAL 71 HB VAL 71 -10.906 8.683 1.487 544 1HG1 VAL 71 1HG1 VAL 71 -12.130 11.071 1.486 545 2HG1 VAL 71 2HG1 VAL 71 -12.948 10.353 2.874 546 3HG1 VAL 71 3HG1 VAL 71 -11.190 10.502 2.865 547 1HG2 VAL 71 1HG2 VAL 71 -13.120 7.158 1.882 548 2HG2 VAL 71 2HG2 VAL 71 -11.892 7.414 3.121 549 3HG2 VAL 71 3HG2 VAL 71 -13.364 8.385 3.127 550 H GLN 72 H GLN 72 -14.810 7.798 0.794 551 HA GLN 72 HA GLN 72 -16.370 10.327 0.985 552 1HB GLN 72 1HB GLN 72 -17.741 7.982 -0.245 553 2HB GLN 72 2HB GLN 72 -17.938 9.702 -0.578 554 1HG GLN 72 1HG GLN 72 -15.456 8.171 -1.380 555 2HG GLN 72 2HG GLN 72 -16.854 8.345 -2.440 556 1HE2 GLN 72 2HE2 GLN 72 -14.688 9.503 -3.520 557 2HE2 GLN 72 1HE2 GLN 72 -14.682 11.188 -3.315 558 HA PRO 73 HA PRO 73 -18.288 8.361 4.415 559 1HB PRO 73 1HB PRO 73 -20.972 8.848 4.073 560 2HB PRO 73 2HB PRO 73 -19.798 10.095 4.531 561 1HG PRO 73 1HG PRO 73 -21.146 9.661 1.912 562 2HG PRO 73 2HG PRO 73 -20.467 11.149 2.590 563 1HD PRO 73 1HD PRO 73 -19.261 9.488 0.628 564 2HD PRO 73 2HD PRO 73 -18.479 10.827 1.495 565 H GLY 74 H GLY 74 -18.009 6.108 4.260 566 1HA GLY 74 1HA GLY 74 -18.875 3.907 4.214 567 2HA GLY 74 2HA GLY 74 -20.382 4.551 3.561 568 H ASN 75 H ASN 75 -17.183 5.123 2.165 569 HA ASN 75 HA ASN 75 -17.060 3.069 0.270 570 1HB ASN 75 1HB ASN 75 -19.169 3.617 -0.678 571 2HB ASN 75 2HB ASN 75 -18.862 5.351 -0.561 572 1HD2 ASN 75 2HD2 ASN 75 -19.276 5.537 -2.919 573 2HD2 ASN 75 1HD2 ASN 75 -18.095 5.043 -4.034 574 H VAL 76 H VAL 76 -14.896 3.300 -0.003 575 HA VAL 76 HA VAL 76 -13.864 6.035 -0.625 576 HB VAL 76 HB VAL 76 -11.814 5.461 0.408 577 1HG1 VAL 76 1HG1 VAL 76 -14.065 5.479 1.860 578 2HG1 VAL 76 2HG1 VAL 76 -13.553 3.824 2.195 579 3HG1 VAL 76 3HG1 VAL 76 -12.489 5.174 2.592 580 1HG2 VAL 76 1HG2 VAL 76 -12.780 2.619 0.083 581 2HG2 VAL 76 2HG2 VAL 76 -11.287 3.343 -0.514 582 3HG2 VAL 76 3HG2 VAL 76 -11.485 3.022 1.209 583 H THR 77 H THR 77 -12.277 6.190 -2.322 584 HA THR 77 HA THR 77 -11.766 3.809 -3.980 585 HB THR 77 HB THR 77 -13.244 6.223 -5.078 586 HG1 THR 77 HG1 THR 77 -13.995 3.602 -4.385 587 1HG2 THR 77 1HG2 THR 77 -11.484 4.513 -6.375 588 2HG2 THR 77 2HG2 THR 77 -13.066 3.812 -6.721 589 3HG2 THR 77 3HG2 THR 77 -12.731 5.489 -7.151 590 H VAL 78 H VAL 78 -9.793 4.011 -4.997 591 HA VAL 78 HA VAL 78 -8.646 6.720 -5.362 592 HB VAL 78 HB VAL 78 -6.658 6.264 -4.135 593 1HG1 VAL 78 1HG1 VAL 78 -9.063 5.185 -2.634 594 2HG1 VAL 78 2HG1 VAL 78 -7.533 5.616 -1.869 595 3HG1 VAL 78 3HG1 VAL 78 -8.500 6.855 -2.668 596 1HG2 VAL 78 1HG2 VAL 78 -7.682 3.411 -3.951 597 2HG2 VAL 78 2HG2 VAL 78 -6.283 3.965 -4.869 598 3HG2 VAL 78 3HG2 VAL 78 -6.256 4.014 -3.107 599 H LEU 79 H LEU 79 -7.071 6.786 -7.023 600 HA LEU 79 HA LEU 79 -6.802 4.238 -8.571 601 1HB LEU 79 1HB LEU 79 -6.794 7.078 -9.642 602 2HB LEU 79 2HB LEU 79 -6.721 5.598 -10.600 603 HG LEU 79 HG LEU 79 -8.960 5.385 -8.845 604 1HD1 LEU 79 1HD1 LEU 79 -8.553 8.003 -9.022 605 2HD1 LEU 79 2HD1 LEU 79 -9.320 7.789 -10.594 606 3HD1 LEU 79 3HD1 LEU 79 -10.183 7.334 -9.125 607 1HD2 LEU 79 1HD2 LEU 79 -8.261 5.136 -11.640 608 2HD2 LEU 79 2HD2 LEU 79 -9.571 4.355 -10.756 609 3HD2 LEU 79 3HD2 LEU 79 -9.822 5.942 -11.481 610 H ALA 80 H ALA 80 -4.735 3.706 -9.311 611 HA ALA 80 HA ALA 80 -2.534 5.625 -8.732 612 1HB ALA 80 1HB ALA 80 -3.097 3.237 -7.242 613 2HB ALA 80 2HB ALA 80 -1.585 3.014 -8.122 614 3HB ALA 80 3HB ALA 80 -1.772 4.379 -7.021 615 H ASP 81 H ASP 81 -0.382 4.451 -9.624 616 HA ASP 81 HA ASP 81 -1.079 3.638 -12.402 617 1HB ASP 81 1HB ASP 81 0.512 5.593 -11.883 618 2HB ASP 81 2HB ASP 81 1.673 4.362 -11.381 619 H THR 82 H THR 82 0.698 2.573 -9.536 620 HA THR 82 HA THR 82 1.156 -0.038 -10.919 621 HB THR 82 HB THR 82 2.781 1.378 -8.794 622 HG1 THR 82 HG1 THR 82 4.334 0.591 -10.605 623 1HG2 THR 82 1HG2 THR 82 2.904 -1.484 -9.768 624 2HG2 THR 82 2HG2 THR 82 4.225 -0.695 -8.906 625 3HG2 THR 82 3HG2 THR 82 2.666 -0.925 -8.112 626 H ALA 83 H ALA 83 0.684 -1.929 -9.732 627 HA ALA 83 HA ALA 83 -0.516 -1.602 -7.034 628 1HB ALA 83 1HB ALA 83 -1.994 -2.134 -9.485 629 2HB ALA 83 2HB ALA 83 -2.184 -3.448 -8.325 630 3HB ALA 83 3HB ALA 83 -2.607 -1.798 -7.866 631 H ILE 84 H ILE 84 1.283 -2.785 -6.215 632 HA ILE 84 HA ILE 84 1.691 -5.514 -7.306 633 HB ILE 84 HB ILE 84 3.334 -4.409 -5.062 634 1HG1 ILE 84 1HG1 ILE 84 3.594 -3.583 -7.974 635 2HG1 ILE 84 2HG1 ILE 84 3.135 -2.519 -6.644 636 1HG2 ILE 84 1HG2 ILE 84 3.648 -6.699 -6.020 637 2HG2 ILE 84 2HG2 ILE 84 4.033 -5.953 -7.570 638 3HG2 ILE 84 3HG2 ILE 84 5.078 -5.678 -6.176 639 1HD1 ILE 84 1HD1 ILE 84 5.359 -3.235 -5.549 640 2HD1 ILE 84 2HD1 ILE 84 5.798 -3.850 -7.142 641 3HD1 ILE 84 3HD1 ILE 84 5.454 -2.135 -6.924 642 H ARG 85 H ARG 85 -0.704 -5.403 -6.104 643 HA ARG 85 HA ARG 85 -1.075 -5.653 -3.385 644 1HB ARG 85 1HB ARG 85 -2.883 -5.965 -5.029 645 2HB ARG 85 2HB ARG 85 -2.186 -7.510 -5.512 646 1HG ARG 85 1HG ARG 85 -2.390 -8.126 -2.988 647 2HG ARG 85 2HG ARG 85 -3.526 -6.779 -2.917 648 1HD ARG 85 1HD ARG 85 -4.890 -7.789 -4.672 649 2HD ARG 85 2HD ARG 85 -3.727 -9.099 -4.859 650 HE ARG 85 HE ARG 85 -4.749 -8.883 -2.139 651 1HH1 ARG 85 1HH1 ARG 85 -6.863 -9.172 -4.508 652 2HH1 ARG 85 2HH1 ARG 85 -7.187 -10.867 -4.363 653 1HH2 ARG 85 1HH2 ARG 85 -4.474 -11.480 -2.293 654 2HH2 ARG 85 2HH2 ARG 85 -5.835 -12.173 -3.109 655 H GLY 86 H GLY 86 -0.773 -7.305 -1.825 656 1HA GLY 86 1HA GLY 86 1.580 -8.744 -1.768 657 2HA GLY 86 2HA GLY 86 0.137 -9.283 -0.909 658 H GLN 87 H GLN 87 -1.417 -9.675 -3.378 659 HA GLN 87 HA GLN 87 -0.066 -12.169 -4.313 660 1HB GLN 87 1HB GLN 87 -2.290 -12.316 -3.053 661 2HB GLN 87 2HB GLN 87 -3.023 -11.566 -4.472 662 1HG GLN 87 1HG GLN 87 -2.514 -13.385 -5.857 663 2HG GLN 87 2HG GLN 87 -1.253 -13.977 -4.775 664 1HE2 GLN 87 2HE2 GLN 87 -2.052 -14.850 -2.606 665 2HE2 GLN 87 1HE2 GLN 87 -3.575 -15.597 -2.556 666 H ASP 88 H ASP 88 0.977 -10.330 -5.756 667 HA ASP 88 HA ASP 88 -0.666 -10.172 -8.249 668 1HB ASP 88 1HB ASP 88 0.423 -8.015 -6.664 669 2HB ASP 88 2HB ASP 88 1.160 -8.015 -8.266 670 H LEU 89 H LEU 89 2.638 -9.040 -7.665 671 HA LEU 89 HA LEU 89 3.809 -11.402 -8.953 672 1HB LEU 89 1HB LEU 89 3.155 -8.997 -10.470 673 2HB LEU 89 2HB LEU 89 4.880 -9.362 -10.528 674 HG LEU 89 HG LEU 89 2.974 -11.631 -10.891 675 1HD1 LEU 89 1HD1 LEU 89 2.520 -9.373 -12.368 676 2HD1 LEU 89 2HD1 LEU 89 3.702 -10.208 -13.375 677 3HD1 LEU 89 3HD1 LEU 89 2.193 -11.009 -12.938 678 1HD2 LEU 89 1HD2 LEU 89 5.757 -10.856 -11.617 679 2HD2 LEU 89 2HD2 LEU 89 5.128 -12.415 -11.088 680 3HD2 LEU 89 3HD2 LEU 89 4.904 -11.894 -12.758 681 H ASP 90 H ASP 90 6.297 -10.442 -9.574 682 HA ASP 90 HA ASP 90 8.330 -9.948 -8.507 683 1HB ASP 90 1HB ASP 90 6.526 -7.673 -8.157 684 2HB ASP 90 2HB ASP 90 7.731 -7.774 -6.872 685 H GLU 91 H GLU 91 7.880 -12.009 -7.244 686 HA GLU 91 HA GLU 91 7.189 -11.479 -4.397 687 1HB GLU 91 1HB GLU 91 7.685 -14.175 -5.678 688 2HB GLU 91 2HB GLU 91 6.831 -13.831 -4.173 689 1HG GLU 91 1HG GLU 91 4.895 -13.602 -5.292 690 2HG GLU 91 2HG GLU 91 5.604 -12.338 -6.298 691 H ALA 92 H ALA 92 9.529 -13.648 -6.029 692 HA ALA 92 HA ALA 92 11.369 -13.516 -3.801 693 1HB ALA 92 1HB ALA 92 11.487 -14.634 -6.591 694 2HB ALA 92 2HB ALA 92 12.954 -14.539 -5.618 695 3HB ALA 92 3HB ALA 92 11.579 -15.486 -5.051 696 H ARG 93 H ARG 93 10.816 -11.526 -6.572 697 HA ARG 93 HA ARG 93 13.492 -10.398 -6.705 698 1HB ARG 93 1HB ARG 93 10.896 -9.970 -8.027 699 2HB ARG 93 2HB ARG 93 11.844 -8.498 -7.817 700 1HG ARG 93 1HG ARG 93 13.320 -9.121 -9.405 701 2HG ARG 93 2HG ARG 93 13.508 -10.722 -8.687 702 1HD ARG 93 1HD ARG 93 11.228 -11.281 -9.728 703 2HD ARG 93 2HD ARG 93 11.424 -9.806 -10.674 704 HE ARG 93 HE ARG 93 13.665 -11.723 -10.789 705 1HH1 ARG 93 1HH1 ARG 93 10.616 -10.777 -12.068 706 2HH1 ARG 93 2HH1 ARG 93 11.023 -11.183 -13.701 707 1HH2 ARG 93 1HH2 ARG 93 14.280 -12.099 -12.946 708 2HH2 ARG 93 2HH2 ARG 93 13.096 -11.929 -14.199 709 H ALA 94 H ALA 94 11.155 -10.194 -4.360 710 HA ALA 94 HA ALA 94 11.572 -7.337 -3.733 711 1HB ALA 94 1HB ALA 94 9.597 -9.323 -3.093 712 2HB ALA 94 2HB ALA 94 10.280 -8.700 -1.591 713 3HB ALA 94 3HB ALA 94 9.556 -7.591 -2.757 714 H MET 95 H MET 95 12.910 -10.409 -2.982 715 HA MET 95 HA MET 95 14.099 -9.538 -0.436 716 1HB MET 95 1HB MET 95 13.767 -12.048 -1.901 717 2HB MET 95 2HB MET 95 15.388 -11.873 -1.230 718 1HG MET 95 1HG MET 95 14.270 -11.222 0.967 719 2HG MET 95 2HG MET 95 12.752 -11.758 0.249 720 1HE MET 95 1HE MET 95 16.231 -12.288 0.871 721 2HE MET 95 2HE MET 95 16.127 -13.528 2.117 722 3HE MET 95 3HE MET 95 16.599 -13.963 0.469 723 H GLU 96 H GLU 96 15.058 -9.994 -3.807 724 HA GLU 96 HA GLU 96 17.871 -9.362 -3.225 725 1HB GLU 96 1HB GLU 96 16.870 -10.888 -5.136 726 2HB GLU 96 2HB GLU 96 16.709 -9.354 -5.994 727 1HG GLU 96 1HG GLU 96 19.314 -9.798 -4.651 728 2HG GLU 96 2HG GLU 96 18.978 -10.848 -6.027 729 H ALA 97 H ALA 97 14.974 -7.712 -4.280 730 HA ALA 97 HA ALA 97 16.123 -5.412 -5.476 731 1HB ALA 97 1HB ALA 97 13.589 -5.727 -3.844 732 2HB ALA 97 2HB ALA 97 14.003 -4.263 -4.734 733 3HB ALA 97 3HB ALA 97 13.737 -5.775 -5.601 734 H LYS 98 H LYS 98 15.115 -5.856 -2.062 735 HA LYS 98 HA LYS 98 16.026 -3.396 -1.063 736 1HB LYS 98 1HB LYS 98 14.767 -5.118 0.252 737 2HB LYS 98 2HB LYS 98 16.250 -6.068 0.354 738 1HG LYS 98 1HG LYS 98 17.044 -3.515 1.138 739 2HG LYS 98 2HG LYS 98 15.456 -3.712 1.884 740 1HD LYS 98 1HD LYS 98 16.870 -6.173 2.187 741 2HD LYS 98 2HD LYS 98 17.943 -4.868 2.695 742 1HE LYS 98 1HE LYS 98 16.018 -3.962 4.075 743 2HE LYS 98 2HE LYS 98 15.157 -5.460 3.720 744 1HZ LYS 98 1HZ LYS 98 17.304 -6.565 4.565 745 2HZ LYS 98 2HZ LYS 98 17.616 -5.062 5.292 746 3HZ LYS 98 3HZ LYS 98 16.213 -5.931 5.698 747 H ARG 99 H ARG 99 17.859 -6.092 -2.227 748 HA ARG 99 HA ARG 99 20.336 -5.344 -0.864 749 1HB ARG 99 1HB ARG 99 19.948 -7.163 -3.259 750 2HB ARG 99 2HB ARG 99 21.358 -7.098 -2.202 751 1HG ARG 99 1HG ARG 99 19.781 -7.672 -0.280 752 2HG ARG 99 2HG ARG 99 18.567 -8.034 -1.509 753 1HD ARG 99 1HD ARG 99 19.477 -10.123 -1.446 754 2HD ARG 99 2HD ARG 99 20.709 -9.412 -2.487 755 HE ARG 99 HE ARG 99 21.855 -8.885 -0.163 756 1HH1 ARG 99 1HH1 ARG 99 21.280 -11.752 -1.706 757 2HH1 ARG 99 2HH1 ARG 99 21.490 -12.771 -0.321 758 1HH2 ARG 99 1HH2 ARG 99 21.563 -10.140 1.935 759 2HH2 ARG 99 2HH2 ARG 99 21.655 -11.857 1.740 760 H LYS 100 H LYS 100 19.333 -5.338 -4.312 761 HA LYS 100 HA LYS 100 21.559 -3.842 -5.246 762 1HB LYS 100 1HB LYS 100 19.032 -4.769 -6.304 763 2HB LYS 100 2HB LYS 100 19.353 -3.123 -6.852 764 1HG LYS 100 1HG LYS 100 21.815 -4.218 -7.178 765 2HG LYS 100 2HG LYS 100 20.804 -5.634 -7.465 766 1HD LYS 100 1HD LYS 100 19.787 -4.702 -9.332 767 2HD LYS 100 2HD LYS 100 20.064 -3.049 -8.785 768 1HE LYS 100 1HE LYS 100 22.238 -3.004 -9.568 769 2HE LYS 100 2HE LYS 100 22.451 -4.744 -9.382 770 1HZ LYS 100 1HZ LYS 100 20.411 -4.332 -11.233 771 2HZ LYS 100 2HZ LYS 100 21.696 -3.312 -11.674 772 3HZ LYS 100 3HZ LYS 100 21.951 -4.983 -11.509 773 H ALA 101 H ALA 101 18.795 -2.853 -3.429 774 HA ALA 101 HA ALA 101 19.036 -0.025 -4.210 775 1HB ALA 101 1HB ALA 101 17.095 -1.667 -2.822 776 2HB ALA 101 2HB ALA 101 17.474 -0.230 -1.872 777 3HB ALA 101 3HB ALA 101 16.888 -0.063 -3.528 778 H GLU 102 H GLU 102 19.717 -2.044 -1.351 779 HA GLU 102 HA GLU 102 20.641 0.004 0.372 780 1HB GLU 102 1HB GLU 102 20.303 -2.271 1.178 781 2HB GLU 102 2HB GLU 102 21.575 -2.871 0.113 782 1HG GLU 102 1HG GLU 102 23.080 -1.123 1.345 783 2HG GLU 102 2HG GLU 102 21.828 -1.180 2.586 784 H GLU 103 H GLU 103 22.264 -1.682 -2.274 785 HA GLU 103 HA GLU 103 24.925 -0.831 -1.764 786 1HB GLU 103 1HB GLU 103 23.421 -1.931 -4.017 787 2HB GLU 103 2HB GLU 103 24.672 -0.802 -4.537 788 1HG GLU 103 1HG GLU 103 26.127 -2.143 -2.757 789 2HG GLU 103 2HG GLU 103 24.951 -3.411 -3.106 790 H HIS 104 H HIS 104 22.408 0.712 -3.789 791 HA HIS 104 HA HIS 104 23.993 3.046 -4.371 792 1HB HIS 104 1HB HIS 104 21.344 2.068 -4.966 793 2HB HIS 104 2HB HIS 104 21.250 3.751 -4.451 794 HD1 HIS 104 HD1 HIS 104 20.958 2.580 -7.463 795 HD2 HIS 104 HD2 HIS 104 24.249 4.577 -5.864 796 HE1 HIS 104 HE1 HIS 104 22.231 3.550 -9.427 797 H ILE 105 H ILE 105 22.227 2.046 -1.588 798 HA ILE 105 HA ILE 105 21.782 4.747 -0.553 799 HB ILE 105 HB ILE 105 21.498 1.973 0.617 800 1HG1 ILE 105 1HG1 ILE 105 19.548 4.204 -0.043 801 2HG1 ILE 105 2HG1 ILE 105 19.754 2.702 -0.945 802 1HG2 ILE 105 1HG2 ILE 105 21.519 4.642 1.963 803 2HG2 ILE 105 2HG2 ILE 105 20.302 3.473 2.477 804 3HG2 ILE 105 3HG2 ILE 105 22.015 3.067 2.585 805 1HD1 ILE 105 1HD1 ILE 105 19.148 2.562 1.989 806 2HD1 ILE 105 2HD1 ILE 105 17.838 2.906 0.860 807 3HD1 ILE 105 3HD1 ILE 105 18.759 1.409 0.713 808 H SER 106 H SER 106 24.300 2.332 -0.411 809 HA SER 106 HA SER 106 25.685 3.866 1.733 810 1HB SER 106 1HB SER 106 25.397 1.228 1.611 811 2HB SER 106 2HB SER 106 26.801 1.348 0.555 812 HG SER 106 HG SER 106 26.812 2.780 2.956 813 H SER 107 H SER 107 26.694 5.590 0.737 814 HA SER 107 HA SER 107 28.860 4.948 -1.150 815 1HB SER 107 1HB SER 107 26.519 6.716 -1.887 816 2HB SER 107 2HB SER 107 28.066 6.781 -2.725 817 HG SER 107 HG SER 107 27.729 4.817 -3.530 818 H SER 108 H SER 108 27.050 7.490 0.573 819 HA SER 108 HA SER 108 29.593 8.597 1.549 820 1HB SER 108 1HB SER 108 28.389 10.924 0.685 821 2HB SER 108 2HB SER 108 29.732 10.120 -0.123 822 HG SER 108 HG SER 108 28.271 9.063 -1.437 823 H HIS 109 H HIS 109 28.659 10.999 2.559 824 HA HIS 109 HA HIS 109 26.475 10.086 4.390 825 1HB HIS 109 1HB HIS 109 29.065 11.365 4.856 826 2HB HIS 109 2HB HIS 109 27.737 12.243 5.615 827 HD1 HIS 109 HD1 HIS 109 29.628 10.853 7.502 828 HD2 HIS 109 HD2 HIS 109 26.303 8.927 5.881 829 HE1 HIS 109 HE1 HIS 109 29.087 8.926 9.054 830 H GLY 110 H GLY 110 27.748 13.362 4.081 831 1HA GLY 110 1HA GLY 110 26.711 15.350 3.382 832 2HA GLY 110 2HA GLY 110 25.690 14.361 2.340 833 H ASP 111 H ASP 111 24.336 16.359 3.379 834 HA ASP 111 HA ASP 111 22.971 15.280 5.813 835 1HB ASP 111 1HB ASP 111 22.063 17.792 5.757 836 2HB ASP 111 2HB ASP 111 23.609 17.393 6.503 837 H VAL 112 H VAL 112 20.930 14.547 5.504 838 HA VAL 112 HA VAL 112 19.020 13.915 4.263 839 HB VAL 112 HB VAL 112 17.579 15.821 3.753 840 1HG1 VAL 112 1HG1 VAL 112 18.605 15.211 6.218 841 2HG1 VAL 112 2HG1 VAL 112 18.953 16.936 6.113 842 3HG1 VAL 112 3HG1 VAL 112 17.295 16.360 5.943 843 1HG2 VAL 112 1HG2 VAL 112 19.512 17.131 2.683 844 2HG2 VAL 112 2HG2 VAL 112 18.373 18.067 3.653 845 3HG2 VAL 112 3HG2 VAL 112 19.943 17.621 4.322 846 H ASP 113 H ASP 113 21.563 14.010 2.741 847 HA ASP 113 HA ASP 113 20.816 15.015 0.083 848 1HB ASP 113 1HB ASP 113 23.148 15.163 0.743 849 2HB ASP 113 2HB ASP 113 23.196 13.433 1.091 850 H TYR 114 H TYR 114 22.393 11.908 0.365 851 HA TYR 114 HA TYR 114 20.401 10.694 -1.375 852 1HB TYR 114 1HB TYR 114 21.806 8.778 -1.379 853 2HB TYR 114 2HB TYR 114 22.927 10.131 -1.244 854 HD1 TYR 114 HD1 TYR 114 21.298 7.357 0.562 855 HD2 TYR 114 HD2 TYR 114 24.146 10.563 0.817 856 HE1 TYR 114 HE1 TYR 114 22.162 6.421 2.688 857 HE2 TYR 114 HE2 TYR 114 25.010 9.625 2.946 858 HH TYR 114 HH TYR 114 23.419 6.925 4.540 859 H ALA 115 H ALA 115 20.938 11.013 2.011 860 HA ALA 115 HA ALA 115 19.541 8.789 3.058 861 1HB ALA 115 1HB ALA 115 20.664 11.158 4.056 862 2HB ALA 115 2HB ALA 115 18.960 11.249 4.504 863 3HB ALA 115 3HB ALA 115 19.930 9.866 5.010 864 H GLN 116 H GLN 116 18.422 11.635 1.408 865 HA GLN 116 HA GLN 116 15.642 11.384 2.259 866 1HB GLN 116 1HB GLN 116 17.196 13.095 0.376 867 2HB GLN 116 2HB GLN 116 15.474 12.902 0.040 868 1HG GLN 116 1HG GLN 116 16.190 13.435 2.871 869 2HG GLN 116 2HG GLN 116 16.444 14.770 1.745 870 1HE2 GLN 116 2HE2 GLN 116 14.173 13.709 3.837 871 2HE2 GLN 116 1HE2 GLN 116 12.758 14.176 3.025 872 H ALA 117 H ALA 117 17.610 10.313 -0.468 873 HA ALA 117 HA ALA 117 15.333 9.290 -1.980 874 1HB ALA 117 1HB ALA 117 18.320 8.824 -2.232 875 2HB ALA 117 2HB ALA 117 17.123 8.198 -3.365 876 3HB ALA 117 3HB ALA 117 17.341 9.939 -3.188 877 H SER 118 H SER 118 17.327 8.152 0.602 878 HA SER 118 HA SER 118 17.073 5.328 0.165 879 1HB SER 118 1HB SER 118 17.289 6.766 2.825 880 2HB SER 118 2HB SER 118 17.722 5.091 2.492 881 HG SER 118 HG SER 118 19.112 6.248 0.777 882 H ALA 119 H ALA 119 15.045 7.695 1.866 883 HA ALA 119 HA ALA 119 13.201 5.816 2.984 884 1HB ALA 119 1HB ALA 119 13.020 8.736 2.251 885 2HB ALA 119 2HB ALA 119 11.607 7.867 2.849 886 3HB ALA 119 3HB ALA 119 13.049 8.003 3.855 887 H GLU 120 H GLU 120 13.790 6.723 -0.245 888 HA GLU 120 HA GLU 120 11.069 6.265 -1.222 889 1HB GLU 120 1HB GLU 120 13.711 6.424 -2.709 890 2HB GLU 120 2HB GLU 120 12.115 6.415 -3.461 891 1HG GLU 120 1HG GLU 120 12.392 8.426 -1.338 892 2HG GLU 120 2HG GLU 120 13.488 8.681 -2.697 893 H LEU 121 H LEU 121 14.025 4.398 -0.813 894 HA LEU 121 HA LEU 121 12.957 2.101 -2.299 895 1HB LEU 121 1HB LEU 121 15.358 2.090 -0.464 896 2HB LEU 121 2HB LEU 121 15.044 1.052 -1.854 897 HG LEU 121 HG LEU 121 15.455 4.051 -2.027 898 1HD1 LEU 121 1HD1 LEU 121 17.506 2.857 -1.289 899 2HD1 LEU 121 2HD1 LEU 121 17.368 1.788 -2.685 900 3HD1 LEU 121 3HD1 LEU 121 17.677 3.508 -2.919 901 1HD2 LEU 121 1HD2 LEU 121 14.235 2.319 -3.802 902 2HD2 LEU 121 2HD2 LEU 121 14.997 3.847 -4.244 903 3HD2 LEU 121 3HD2 LEU 121 15.903 2.339 -4.377 904 H ALA 122 H ALA 122 13.476 3.032 1.089 905 HA ALA 122 HA ALA 122 12.805 0.567 2.306 906 1HB ALA 122 1HB ALA 122 13.162 3.297 3.133 907 2HB ALA 122 2HB ALA 122 11.720 2.645 3.909 908 3HB ALA 122 3HB ALA 122 13.272 1.831 4.107 909 H LYS 123 H LYS 123 10.789 2.900 0.689 910 HA LYS 123 HA LYS 123 8.299 1.934 1.883 911 1HB LYS 123 1HB LYS 123 8.804 3.658 -0.563 912 2HB LYS 123 2HB LYS 123 7.219 3.356 0.152 913 1HG LYS 123 1HG LYS 123 9.457 4.431 1.852 914 2HG LYS 123 2HG LYS 123 8.517 5.522 0.832 915 1HD LYS 123 1HD LYS 123 6.555 3.994 2.029 916 2HD LYS 123 2HD LYS 123 7.747 4.161 3.318 917 1HE LYS 123 1HE LYS 123 7.467 6.436 3.473 918 2HE LYS 123 2HE LYS 123 7.110 6.613 1.754 919 1HZ LYS 123 1HZ LYS 123 5.247 5.269 3.618 920 2HZ LYS 123 2HZ LYS 123 5.202 6.947 3.354 921 3HZ LYS 123 3HZ LYS 123 4.926 5.880 2.065 922 H ALA 124 H ALA 124 10.231 1.232 -0.969 923 HA ALA 124 HA ALA 124 8.189 -0.271 -2.356 924 1HB ALA 124 1HB ALA 124 11.214 -0.315 -2.557 925 2HB ALA 124 2HB ALA 124 10.142 -1.199 -3.643 926 3HB ALA 124 3HB ALA 124 10.094 0.564 -3.599 927 H ILE 125 H ILE 125 10.405 -1.002 0.238 928 HA ILE 125 HA ILE 125 10.149 -3.901 -0.070 929 HB ILE 125 HB ILE 125 11.253 -2.181 2.170 930 1HG1 ILE 125 1HG1 ILE 125 13.117 -3.931 0.832 931 2HG1 ILE 125 2HG1 ILE 125 12.270 -2.948 -0.363 932 1HG2 ILE 125 1HG2 ILE 125 10.883 -5.141 1.872 933 2HG2 ILE 125 2HG2 ILE 125 12.327 -4.545 2.689 934 3HG2 ILE 125 3HG2 ILE 125 10.729 -4.137 3.313 935 1HD1 ILE 125 1HD1 ILE 125 12.869 -1.225 1.797 936 2HD1 ILE 125 2HD1 ILE 125 14.335 -2.153 1.485 937 3HD1 ILE 125 3HD1 ILE 125 13.593 -1.216 0.190 938 H ALA 126 H ALA 126 7.978 -1.614 0.839 939 HA ALA 126 HA ALA 126 6.878 -2.763 3.251 940 1HB ALA 126 1HB ALA 126 6.458 -0.411 2.358 941 2HB ALA 126 2HB ALA 126 5.372 -1.149 1.179 942 3HB ALA 126 3HB ALA 126 5.024 -1.281 2.902 943 H GLN 127 H GLN 127 6.660 -3.543 -0.123 944 HA GLN 127 HA GLN 127 4.191 -5.089 0.115 945 1HB GLN 127 1HB GLN 127 4.546 -5.674 -2.177 946 2HB GLN 127 2HB GLN 127 5.085 -4.003 -2.023 947 1HG GLN 127 1HG GLN 127 7.380 -5.350 -1.404 948 2HG GLN 127 2HG GLN 127 6.655 -6.440 -2.586 949 1HE2 GLN 127 2HE2 GLN 127 8.805 -5.469 -3.698 950 2HE2 GLN 127 1HE2 GLN 127 8.532 -4.120 -4.691 951 H LEU 128 H LEU 128 7.425 -5.603 0.993 952 HA LEU 128 HA LEU 128 7.577 -8.447 0.460 953 1HB LEU 128 1HB LEU 128 9.437 -6.612 1.085 954 2HB LEU 128 2HB LEU 128 9.142 -7.260 2.699 955 HG LEU 128 HG LEU 128 9.435 -9.256 0.519 956 1HD1 LEU 128 1HD1 LEU 128 11.283 -7.194 0.599 957 2HD1 LEU 128 2HD1 LEU 128 12.024 -8.429 1.618 958 3HD1 LEU 128 3HD1 LEU 128 11.581 -8.810 -0.046 959 1HD2 LEU 128 1HD2 LEU 128 10.124 -8.942 3.427 960 2HD2 LEU 128 2HD2 LEU 128 9.203 -10.219 2.634 961 3HD2 LEU 128 3HD2 LEU 128 10.958 -10.165 2.470 962 H ARG 129 H ARG 129 6.355 -6.482 3.109 963 HA ARG 129 HA ARG 129 6.133 -8.736 4.949 964 1HB ARG 129 1HB ARG 129 6.335 -6.288 5.623 965 2HB ARG 129 2HB ARG 129 4.657 -6.100 5.115 966 1HG ARG 129 1HG ARG 129 4.704 -8.417 6.717 967 2HG ARG 129 2HG ARG 129 5.695 -7.232 7.569 968 1HD ARG 129 1HD ARG 129 3.361 -5.923 6.517 969 2HD ARG 129 2HD ARG 129 2.863 -7.341 7.439 970 HE ARG 129 HE ARG 129 3.327 -5.994 9.311 971 1HH1 ARG 129 1HH1 ARG 129 4.920 -4.534 6.739 972 2HH1 ARG 129 2HH1 ARG 129 6.216 -3.881 7.684 973 1HH2 ARG 129 1HH2 ARG 129 5.306 -5.563 10.576 974 2HH2 ARG 129 2HH2 ARG 129 6.435 -4.464 9.857 975 H VAL 130 H VAL 130 3.804 -6.834 3.010 976 HA VAL 130 HA VAL 130 1.505 -8.357 3.734 977 HB VAL 130 HB VAL 130 0.508 -7.437 1.645 978 1HG1 VAL 130 1HG1 VAL 130 2.154 -5.556 3.358 979 2HG1 VAL 130 2HG1 VAL 130 0.909 -5.014 2.233 980 3HG1 VAL 130 3HG1 VAL 130 0.472 -6.030 3.607 981 1HG2 VAL 130 1HG2 VAL 130 3.362 -6.519 1.194 982 2HG2 VAL 130 2HG2 VAL 130 2.401 -7.566 0.148 983 3HG2 VAL 130 3HG2 VAL 130 1.976 -5.863 0.322 984 H ILE 131 H ILE 131 3.870 -8.781 1.107 985 HA ILE 131 HA ILE 131 2.508 -10.968 -0.157 986 HB ILE 131 HB ILE 131 4.345 -9.703 -1.249 987 1HG1 ILE 131 1HG1 ILE 131 4.907 -12.660 -0.847 988 2HG1 ILE 131 2HG1 ILE 131 3.801 -11.974 -2.037 989 1HG2 ILE 131 1HG2 ILE 131 5.746 -9.453 0.793 990 2HG2 ILE 131 2HG2 ILE 131 6.115 -11.176 0.727 991 3HG2 ILE 131 3HG2 ILE 131 6.663 -10.106 -0.564 992 1HD1 ILE 131 1HD1 ILE 131 6.153 -10.581 -2.498 993 2HD1 ILE 131 2HD1 ILE 131 6.718 -12.211 -2.132 994 3HD1 ILE 131 3HD1 ILE 131 5.570 -11.950 -3.446 995 H GLU 132 H GLU 132 5.027 -10.839 2.361 996 HA GLU 132 HA GLU 132 5.501 -13.603 2.643 997 1HB GLU 132 1HB GLU 132 5.448 -11.381 4.701 998 2HB GLU 132 2HB GLU 132 5.970 -13.022 5.081 999 1HG GLU 132 1HG GLU 132 7.248 -12.080 2.654 1000 2HG GLU 132 2HG GLU 132 7.550 -10.969 3.989 1001 H LEU 133 H LEU 133 2.729 -11.691 3.556 1002 HA LEU 133 HA LEU 133 1.597 -13.672 5.361 1003 1HB LEU 133 1HB LEU 133 0.756 -11.078 4.184 1004 2HB LEU 133 2HB LEU 133 -0.547 -12.191 4.602 1005 HG LEU 133 HG LEU 133 1.235 -12.312 6.769 1006 1HD1 LEU 133 1HD1 LEU 133 1.000 -9.553 5.597 1007 2HD1 LEU 133 2HD1 LEU 133 1.089 -9.754 7.347 1008 3HD1 LEU 133 3HD1 LEU 133 2.403 -10.336 6.325 1009 1HD2 LEU 133 1HD2 LEU 133 -1.502 -11.712 6.199 1010 2HD2 LEU 133 2HD2 LEU 133 -0.795 -12.193 7.741 1011 3HD2 LEU 133 3HD2 LEU 133 -0.902 -10.486 7.315 1012 H THR 134 H THR 134 0.919 -12.685 1.989 1013 HA THR 134 HA THR 134 -1.138 -14.529 1.433 1014 HB THR 134 HB THR 134 -0.072 -14.468 -0.960 1015 HG1 THR 134 HG1 THR 134 1.711 -13.390 -1.113 1016 1HG2 THR 134 1HG2 THR 134 -1.886 -12.915 0.307 1017 2HG2 THR 134 2HG2 THR 134 -0.655 -11.704 -0.048 1018 3HG2 THR 134 3HG2 THR 134 -1.380 -12.635 -1.359 1019 H LYS 135 H LYS 135 2.220 -15.089 2.025 1020 HA LYS 135 HA LYS 135 2.362 -17.662 0.666 1021 1HB LYS 135 1HB LYS 135 4.113 -16.224 2.660 1022 2HB LYS 135 2HB LYS 135 4.446 -17.891 2.190 1023 1HG LYS 135 1HG LYS 135 4.779 -17.300 -0.084 1024 2HG LYS 135 2HG LYS 135 4.041 -15.713 0.138 1025 1HD LYS 135 1HD LYS 135 6.238 -15.059 0.254 1026 2HD LYS 135 2HD LYS 135 6.027 -15.515 1.946 1027 1HE LYS 135 1HE LYS 135 7.926 -16.740 1.439 1028 2HE LYS 135 2HE LYS 135 6.682 -17.920 1.026 1029 1HZ LYS 135 1HZ LYS 135 7.007 -16.339 -1.210 1030 2HZ LYS 135 2HZ LYS 135 8.581 -16.663 -0.659 1031 3HZ LYS 135 3HZ LYS 135 7.520 -17.942 -1.009 1032 H LYS 136 H LYS 136 2.295 -16.736 4.130 1033 HA LYS 136 HA LYS 136 1.597 -19.498 4.864 1034 1HB LYS 136 1HB LYS 136 1.671 -18.647 7.178 1035 2HB LYS 136 2HB LYS 136 3.125 -18.181 6.293 1036 1HG LYS 136 1HG LYS 136 2.507 -15.951 6.173 1037 2HG LYS 136 2HG LYS 136 0.783 -16.318 6.259 1038 1HD LYS 136 1HD LYS 136 1.585 -15.274 8.354 1039 2HD LYS 136 2HD LYS 136 1.015 -16.919 8.633 1040 1HE LYS 136 1HE LYS 136 3.830 -16.896 7.912 1041 2HE LYS 136 2HE LYS 136 3.527 -15.889 9.329 1042 1HZ LYS 136 1HZ LYS 136 2.008 -18.094 9.772 1043 2HZ LYS 136 2HZ LYS 136 3.401 -18.742 9.052 1044 3HZ LYS 136 3HZ LYS 136 3.534 -17.792 10.456 1045 H ALA 137 H ALA 137 -0.170 -17.168 3.498 1046 HA ALA 137 HA ALA 137 -2.440 -16.915 5.256 1047 1HB ALA 137 1HB ALA 137 -2.056 -16.534 2.284 1048 2HB ALA 137 2HB ALA 137 -3.629 -16.319 3.052 1049 3HB ALA 137 3HB ALA 137 -2.269 -15.297 3.523 1050 H MET 138 H MET 138 -1.891 -18.967 2.369 1051 HA MET 138 HA MET 138 -4.091 -20.730 3.371 1052 1HB MET 138 1HB MET 138 -3.000 -20.527 0.549 1053 2HB MET 138 2HB MET 138 -4.422 -21.432 1.070 1054 1HG MET 138 1HG MET 138 -4.708 -18.741 1.986 1055 2HG MET 138 2HG MET 138 -4.275 -18.692 0.277 1056 1HE MET 138 1HE MET 138 -6.584 -20.090 2.995 1057 2HE MET 138 2HE MET 138 -7.768 -21.060 2.110 1058 3HE MET 138 3HE MET 138 -6.088 -21.583 2.201 Start of MODEL 20 1 1H ALA 1 1H ALA 1 -25.796 0.098 9.380 2 2H ALA 1 2H ALA 1 -26.612 1.389 8.642 3 3H ALA 1 3H ALA 1 -26.100 0.064 7.709 4 HA ALA 1 HA ALA 1 -24.471 1.574 7.213 5 1HB ALA 1 1HB ALA 1 -25.395 2.749 9.670 6 2HB ALA 1 2HB ALA 1 -23.635 2.641 9.710 7 3HB ALA 1 3HB ALA 1 -24.436 3.492 8.390 8 H MET 2 H MET 2 -23.882 -0.919 7.323 9 HA MET 2 HA MET 2 -21.472 -1.110 9.074 10 1HB MET 2 1HB MET 2 -23.804 -2.928 8.922 11 2HB MET 2 2HB MET 2 -22.228 -3.721 8.874 12 1HG MET 2 1HG MET 2 -23.033 -1.669 10.954 13 2HG MET 2 2HG MET 2 -23.115 -3.413 11.203 14 1HE MET 2 1HE MET 2 -21.905 -0.931 12.421 15 2HE MET 2 2HE MET 2 -20.723 -1.843 13.370 16 3HE MET 2 3HE MET 2 -20.184 -0.621 12.221 17 H THR 3 H THR 3 -19.671 -1.911 8.021 18 HA THR 3 HA THR 3 -18.335 -2.516 6.189 19 HB THR 3 HB THR 3 -20.336 -4.095 4.779 20 HG1 THR 3 HG1 THR 3 -21.307 -4.948 6.414 21 1HG2 THR 3 1HG2 THR 3 -17.857 -4.381 4.705 22 2HG2 THR 3 2HG2 THR 3 -17.896 -4.887 6.394 23 3HG2 THR 3 3HG2 THR 3 -18.700 -5.860 5.163 24 H TYR 4 H TYR 4 -18.267 -0.473 5.185 25 HA TYR 4 HA TYR 4 -20.401 0.354 3.353 26 1HB TYR 4 1HB TYR 4 -18.809 2.268 2.901 27 2HB TYR 4 2HB TYR 4 -19.245 2.075 4.591 28 HD1 TYR 4 HD1 TYR 4 -16.504 1.457 2.097 29 HD2 TYR 4 HD2 TYR 4 -17.671 1.439 6.246 30 HE1 TYR 4 HE1 TYR 4 -14.138 1.288 2.757 31 HE2 TYR 4 HE2 TYR 4 -15.293 1.219 6.897 32 HH TYR 4 HH TYR 4 -13.225 0.482 5.984 33 H HIS 5 H HIS 5 -18.258 1.471 1.501 34 HA HIS 5 HA HIS 5 -17.347 -1.000 0.155 35 1HB HIS 5 1HB HIS 5 -19.224 -0.715 -1.186 36 2HB HIS 5 2HB HIS 5 -19.287 1.025 -0.884 37 HD1 HIS 5 HD1 HIS 5 -18.205 -1.389 -3.401 38 HD2 HIS 5 HD2 HIS 5 -17.028 2.420 -2.223 39 HE1 HIS 5 HE1 HIS 5 -16.746 -0.476 -5.261 40 H LEU 6 H LEU 6 -15.257 -0.718 -0.630 41 HA LEU 6 HA LEU 6 -14.356 2.098 -0.852 42 1HB LEU 6 1HB LEU 6 -12.394 1.710 0.298 43 2HB LEU 6 2HB LEU 6 -13.440 0.557 1.121 44 HG LEU 6 HG LEU 6 -12.671 -1.116 -0.689 45 1HD1 LEU 6 1HD1 LEU 6 -11.001 1.259 -1.229 46 2HD1 LEU 6 2HD1 LEU 6 -10.105 -0.256 -1.127 47 3HD1 LEU 6 3HD1 LEU 6 -11.419 -0.083 -2.291 48 1HD2 LEU 6 1HD2 LEU 6 -11.357 -0.151 1.745 49 2HD2 LEU 6 2HD2 LEU 6 -11.737 -1.800 1.258 50 3HD2 LEU 6 3HD2 LEU 6 -10.269 -1.023 0.669 51 H ASP 7 H ASP 7 -12.859 2.499 -2.610 52 HA ASP 7 HA ASP 7 -12.476 0.216 -4.480 53 1HB ASP 7 1HB ASP 7 -14.485 2.077 -4.867 54 2HB ASP 7 2HB ASP 7 -13.166 2.709 -5.852 55 H VAL 8 H VAL 8 -10.230 0.335 -3.912 56 HA VAL 8 HA VAL 8 -8.838 2.850 -4.681 57 HB VAL 8 HB VAL 8 -8.197 1.959 -2.504 58 1HG1 VAL 8 1HG1 VAL 8 -8.503 -0.545 -3.880 59 2HG1 VAL 8 2HG1 VAL 8 -6.878 -0.460 -3.201 60 3HG1 VAL 8 3HG1 VAL 8 -8.283 -0.261 -2.154 61 1HG2 VAL 8 1HG2 VAL 8 -6.422 2.386 -4.673 62 2HG2 VAL 8 2HG2 VAL 8 -6.068 2.544 -2.952 63 3HG2 VAL 8 3HG2 VAL 8 -5.790 1.008 -3.773 64 H VAL 9 H VAL 9 -7.662 2.909 -6.572 65 HA VAL 9 HA VAL 9 -6.939 0.331 -7.860 66 HB VAL 9 HB VAL 9 -7.759 1.518 -10.064 67 1HG1 VAL 9 1HG1 VAL 9 -8.880 -0.345 -8.236 68 2HG1 VAL 9 2HG1 VAL 9 -10.195 0.701 -8.770 69 3HG1 VAL 9 3HG1 VAL 9 -9.233 -0.181 -9.956 70 1HG2 VAL 9 1HG2 VAL 9 -8.337 3.577 -8.506 71 2HG2 VAL 9 2HG2 VAL 9 -9.415 3.149 -9.835 72 3HG2 VAL 9 3HG2 VAL 9 -9.808 2.659 -8.186 73 H SER 10 H SER 10 -5.320 0.622 -9.581 74 HA SER 10 HA SER 10 -3.589 2.977 -9.017 75 1HB SER 10 1HB SER 10 -1.781 1.660 -9.957 76 2HB SER 10 2HB SER 10 -2.649 0.655 -8.800 77 HG SER 10 HG SER 10 -2.525 -0.598 -10.564 78 H ALA 11 H ALA 11 -2.171 2.442 -11.622 79 HA ALA 11 HA ALA 11 -3.819 4.235 -13.248 80 1HB ALA 11 1HB ALA 11 -1.199 4.144 -13.004 81 2HB ALA 11 2HB ALA 11 -1.321 2.909 -14.257 82 3HB ALA 11 3HB ALA 11 -1.919 4.540 -14.566 83 H GLU 12 H GLU 12 -3.584 0.872 -12.871 84 HA GLU 12 HA GLU 12 -4.754 0.468 -15.595 85 1HB GLU 12 1HB GLU 12 -3.300 -1.585 -13.904 86 2HB GLU 12 2HB GLU 12 -3.865 -1.794 -15.562 87 1HG GLU 12 1HG GLU 12 -2.217 -0.411 -16.445 88 2HG GLU 12 2HG GLU 12 -2.010 0.477 -14.936 89 H GLN 13 H GLN 13 -6.024 1.143 -12.931 90 HA GLN 13 HA GLN 13 -7.796 0.373 -11.566 91 1HB GLN 13 1HB GLN 13 -8.430 -0.002 -14.411 92 2HB GLN 13 2HB GLN 13 -9.396 -1.015 -13.338 93 1HG GLN 13 1HG GLN 13 -9.311 1.489 -12.076 94 2HG GLN 13 2HG GLN 13 -9.557 1.851 -13.785 95 1HE2 GLN 13 2HE2 GLN 13 -11.777 2.113 -14.094 96 2HE2 GLN 13 1HE2 GLN 13 -12.972 1.078 -13.475 97 H GLN 14 H GLN 14 -6.690 -1.185 -10.249 98 HA GLN 14 HA GLN 14 -7.703 -3.849 -10.397 99 1HB GLN 14 1HB GLN 14 -5.403 -3.358 -12.045 100 2HB GLN 14 2HB GLN 14 -4.940 -4.432 -10.723 101 1HG GLN 14 1HG GLN 14 -6.580 -6.040 -11.302 102 2HG GLN 14 2HG GLN 14 -7.458 -4.897 -12.320 103 1HE2 GLN 14 2HE2 GLN 14 -3.945 -5.706 -12.215 104 2HE2 GLN 14 1HE2 GLN 14 -3.848 -6.138 -13.853 105 H MET 15 H MET 15 -8.035 -3.426 -8.177 106 HA MET 15 HA MET 15 -5.765 -4.060 -6.457 107 1HB MET 15 1HB MET 15 -6.748 -1.273 -6.755 108 2HB MET 15 2HB MET 15 -6.508 -1.833 -5.099 109 1HG MET 15 1HG MET 15 -4.225 -2.752 -6.142 110 2HG MET 15 2HG MET 15 -4.503 -1.429 -7.274 111 1HE MET 15 1HE MET 15 -2.234 -1.823 -5.896 112 2HE MET 15 2HE MET 15 -1.809 -0.165 -5.451 113 3HE MET 15 3HE MET 15 -2.021 -1.389 -4.201 114 H PHE 16 H PHE 16 -8.503 -2.086 -5.444 115 HA PHE 16 HA PHE 16 -9.858 -4.545 -4.448 116 1HB PHE 16 1HB PHE 16 -8.524 -3.531 -2.588 117 2HB PHE 16 2HB PHE 16 -9.454 -2.042 -2.784 118 HD1 PHE 16 HD1 PHE 16 -9.652 -5.627 -1.873 119 HD2 PHE 16 HD2 PHE 16 -11.757 -1.888 -2.048 120 HE1 PHE 16 HE1 PHE 16 -11.500 -6.590 -0.530 121 HE2 PHE 16 HE2 PHE 16 -13.595 -2.844 -0.752 122 HZ PHE 16 HZ PHE 16 -13.472 -5.198 0.031 123 H SER 17 H SER 17 -12.121 -4.392 -4.392 124 HA SER 17 HA SER 17 -13.502 -1.861 -4.755 125 1HB SER 17 1HB SER 17 -14.373 -2.259 -6.988 126 2HB SER 17 2HB SER 17 -12.613 -2.302 -7.060 127 HG SER 17 HG SER 17 -12.788 -4.268 -7.752 128 H GLY 18 H GLY 18 -14.511 -2.835 -2.844 129 1HA GLY 18 1HA GLY 18 -16.952 -4.237 -3.475 130 2HA GLY 18 2HA GLY 18 -15.797 -5.327 -2.705 131 H LEU 19 H LEU 19 -17.888 -5.086 -1.156 132 HA LEU 19 HA LEU 19 -17.963 -2.718 0.493 133 1HB LEU 19 1HB LEU 19 -18.941 -5.494 1.202 134 2HB LEU 19 2HB LEU 19 -19.469 -3.972 1.914 135 HG LEU 19 HG LEU 19 -20.046 -5.077 -0.824 136 1HD1 LEU 19 1HD1 LEU 19 -21.495 -4.229 1.613 137 2HD1 LEU 19 2HD1 LEU 19 -22.265 -3.807 0.083 138 3HD1 LEU 19 3HD1 LEU 19 -21.893 -5.492 0.447 139 1HD2 LEU 19 1HD2 LEU 19 -19.953 -2.175 0.025 140 2HD2 LEU 19 2HD2 LEU 19 -19.273 -2.909 -1.429 141 3HD2 LEU 19 3HD2 LEU 19 -21.020 -2.723 -1.267 142 H VAL 20 H VAL 20 -16.915 -2.307 2.435 143 HA VAL 20 HA VAL 20 -15.272 -4.456 3.622 144 HB VAL 20 HB VAL 20 -13.230 -3.259 3.520 145 1HG1 VAL 20 1HG1 VAL 20 -14.388 -4.140 1.301 146 2HG1 VAL 20 2HG1 VAL 20 -14.346 -2.417 0.897 147 3HG1 VAL 20 3HG1 VAL 20 -12.847 -3.287 1.266 148 1HG2 VAL 20 1HG2 VAL 20 -15.009 -0.933 2.918 149 2HG2 VAL 20 2HG2 VAL 20 -13.594 -1.011 3.969 150 3HG2 VAL 20 3HG2 VAL 20 -13.388 -0.951 2.206 151 H GLU 21 H GLU 21 -14.806 -4.151 5.819 152 HA GLU 21 HA GLU 21 -16.398 -1.981 7.105 153 1HB GLU 21 1HB GLU 21 -16.246 -4.778 7.573 154 2HB GLU 21 2HB GLU 21 -15.508 -3.984 8.965 155 1HG GLU 21 1HG GLU 21 -17.621 -2.391 8.748 156 2HG GLU 21 2HG GLU 21 -18.316 -3.801 7.950 157 H LYS 22 H LYS 22 -13.241 -3.668 7.259 158 HA LYS 22 HA LYS 22 -12.188 -1.208 8.590 159 1HB LYS 22 1HB LYS 22 -12.376 -3.840 9.722 160 2HB LYS 22 2HB LYS 22 -10.674 -3.420 9.522 161 1HG LYS 22 1HG LYS 22 -12.561 -1.385 10.666 162 2HG LYS 22 2HG LYS 22 -11.956 -2.678 11.702 163 1HD LYS 22 1HD LYS 22 -9.937 -1.693 11.872 164 2HD LYS 22 2HD LYS 22 -9.809 -1.533 10.120 165 1HE LYS 22 1HE LYS 22 -10.568 0.621 10.130 166 2HE LYS 22 2HE LYS 22 -11.723 0.312 11.426 167 1HZ LYS 22 1HZ LYS 22 -8.849 0.266 12.024 168 2HZ LYS 22 2HZ LYS 22 -9.634 1.764 11.863 169 3HZ LYS 22 3HZ LYS 22 -10.151 0.651 13.038 170 H ILE 23 H ILE 23 -10.832 -0.370 7.064 171 HA ILE 23 HA ILE 23 -9.122 -2.269 5.522 172 HB ILE 23 HB ILE 23 -9.319 0.651 4.870 173 1HG1 ILE 23 1HG1 ILE 23 -11.624 -0.096 5.266 174 2HG1 ILE 23 2HG1 ILE 23 -11.352 0.159 3.543 175 1HG2 ILE 23 1HG2 ILE 23 -8.619 -1.917 3.542 176 2HG2 ILE 23 2HG2 ILE 23 -9.453 -0.724 2.547 177 3HG2 ILE 23 3HG2 ILE 23 -7.922 -0.313 3.320 178 1HD1 ILE 23 1HD1 ILE 23 -10.622 -2.535 4.316 179 2HD1 ILE 23 2HD1 ILE 23 -12.287 -2.189 4.776 180 3HD1 ILE 23 3HD1 ILE 23 -11.781 -2.010 3.098 181 H GLN 24 H GLN 24 -6.957 -0.761 4.878 182 HA GLN 24 HA GLN 24 -5.914 0.884 6.974 183 1HB GLN 24 1HB GLN 24 -6.058 -1.607 7.927 184 2HB GLN 24 2HB GLN 24 -4.528 -1.759 7.062 185 1HG GLN 24 1HG GLN 24 -3.716 0.298 8.237 186 2HG GLN 24 2HG GLN 24 -5.204 0.297 9.184 187 1HE2 GLN 24 2HE2 GLN 24 -5.131 -2.791 9.131 188 2HE2 GLN 24 1HE2 GLN 24 -3.985 -3.188 10.319 189 H VAL 25 H VAL 25 -5.009 2.101 5.324 190 HA VAL 25 HA VAL 25 -3.067 0.723 3.527 191 HB VAL 25 HB VAL 25 -4.633 1.987 2.249 192 1HG1 VAL 25 1HG1 VAL 25 -4.401 3.852 4.539 193 2HG1 VAL 25 2HG1 VAL 25 -4.591 4.614 2.959 194 3HG1 VAL 25 3HG1 VAL 25 -5.801 3.468 3.537 195 1HG2 VAL 25 1HG2 VAL 25 -1.898 2.667 2.321 196 2HG2 VAL 25 2HG2 VAL 25 -3.021 2.931 0.987 197 3HG2 VAL 25 3HG2 VAL 25 -2.763 4.198 2.187 198 H THR 26 H THR 26 -0.904 1.259 3.634 199 HA THR 26 HA THR 26 -0.151 3.389 5.596 200 HB THR 26 HB THR 26 1.364 0.814 5.080 201 HG1 THR 26 HG1 THR 26 -0.143 0.026 6.307 202 1HG2 THR 26 1HG2 THR 26 1.869 3.286 6.588 203 2HG2 THR 26 2HG2 THR 26 2.100 1.815 7.533 204 3HG2 THR 26 3HG2 THR 26 3.003 2.053 6.037 205 H GLY 27 H GLY 27 0.800 5.027 4.492 206 1HA GLY 27 1HA GLY 27 2.381 4.339 2.052 207 2HA GLY 27 2HA GLY 27 1.613 5.903 2.332 208 H SER 28 H SER 28 2.422 7.011 4.440 209 HA SER 28 HA SER 28 5.055 6.355 5.423 210 1HB SER 28 1HB SER 28 5.891 7.105 3.308 211 2HB SER 28 2HB SER 28 4.805 8.491 3.292 212 HG SER 28 HG SER 28 5.974 9.403 4.943 213 H GLU 29 H GLU 29 3.994 9.647 4.683 214 HA GLU 29 HA GLU 29 3.775 10.143 7.600 215 1HB GLU 29 1HB GLU 29 4.523 11.717 5.266 216 2HB GLU 29 2HB GLU 29 3.311 12.546 6.243 217 1HG GLU 29 1HG GLU 29 4.762 12.898 7.948 218 2HG GLU 29 2HG GLU 29 5.419 11.264 7.839 219 H GLY 30 H GLY 30 1.692 8.731 7.338 220 1HA GLY 30 1HA GLY 30 -0.603 9.805 8.034 221 2HA GLY 30 2HA GLY 30 -0.591 10.374 6.364 222 H GLU 31 H GLU 31 -0.623 7.452 8.372 223 HA GLU 31 HA GLU 31 -1.653 5.957 5.994 224 1HB GLU 31 1HB GLU 31 -0.882 3.904 7.241 225 2HB GLU 31 2HB GLU 31 0.427 4.979 6.748 226 1HG GLU 31 1HG GLU 31 0.977 5.481 8.893 227 2HG GLU 31 2HG GLU 31 -0.712 5.624 9.386 228 H LEU 32 H LEU 32 -3.854 6.560 6.406 229 HA LEU 32 HA LEU 32 -4.979 5.581 8.994 230 1HB LEU 32 1HB LEU 32 -5.733 7.739 7.084 231 2HB LEU 32 2HB LEU 32 -7.063 6.877 7.871 232 HG LEU 32 HG LEU 32 -4.715 7.960 9.443 233 1HD1 LEU 32 1HD1 LEU 32 -7.044 9.390 8.271 234 2HD1 LEU 32 2HD1 LEU 32 -6.665 9.755 9.955 235 3HD1 LEU 32 3HD1 LEU 32 -5.449 10.004 8.702 236 1HD2 LEU 32 1HD2 LEU 32 -6.493 6.225 10.282 237 2HD2 LEU 32 2HD2 LEU 32 -6.079 7.593 11.315 238 3HD2 LEU 32 3HD2 LEU 32 -7.561 7.625 10.361 239 H GLY 33 H GLY 33 -6.842 4.238 8.946 240 1HA GLY 33 1HA GLY 33 -7.135 2.702 6.411 241 2HA GLY 33 2HA GLY 33 -7.637 2.136 8.012 242 H ILE 34 H ILE 34 -9.593 1.994 6.101 243 HA ILE 34 HA ILE 34 -11.145 4.510 6.396 244 HB ILE 34 HB ILE 34 -11.568 2.099 4.615 245 1HG1 ILE 34 1HG1 ILE 34 -9.763 3.833 4.095 246 2HG1 ILE 34 2HG1 ILE 34 -10.979 3.597 2.838 247 1HG2 ILE 34 1HG2 ILE 34 -13.686 3.230 5.547 248 2HG2 ILE 34 2HG2 ILE 34 -13.198 4.656 4.647 249 3HG2 ILE 34 3HG2 ILE 34 -13.549 3.157 3.792 250 1HD1 ILE 34 1HD1 ILE 34 -11.950 5.556 4.685 251 2HD1 ILE 34 2HD1 ILE 34 -10.314 6.012 4.196 252 3HD1 ILE 34 3HD1 ILE 34 -11.567 5.754 2.975 253 H TYR 35 H TYR 35 -12.763 4.637 7.788 254 HA TYR 35 HA TYR 35 -13.952 2.123 8.875 255 1HB TYR 35 1HB TYR 35 -14.160 3.753 11.002 256 2HB TYR 35 2HB TYR 35 -12.737 2.748 10.746 257 HD1 TYR 35 HD1 TYR 35 -10.776 3.823 9.371 258 HD2 TYR 35 HD2 TYR 35 -13.966 6.071 11.178 259 HE1 TYR 35 HE1 TYR 35 -9.386 5.871 9.281 260 HE2 TYR 35 HE2 TYR 35 -12.570 8.118 11.083 261 HH TYR 35 HH TYR 35 -10.679 9.017 10.312 262 HA PRO 36 HA PRO 36 -17.826 4.069 8.189 263 1HB PRO 36 1HB PRO 36 -19.220 3.587 10.520 264 2HB PRO 36 2HB PRO 36 -18.923 2.362 9.274 265 1HG PRO 36 1HG PRO 36 -17.581 2.714 11.925 266 2HG PRO 36 2HG PRO 36 -17.871 1.229 11.002 267 1HD PRO 36 1HD PRO 36 -15.420 2.552 11.140 268 2HD PRO 36 2HD PRO 36 -15.877 1.409 9.864 269 H GLY 37 H GLY 37 -16.776 6.197 8.208 270 1HA GLY 37 1HA GLY 37 -18.074 8.188 9.666 271 2HA GLY 37 2HA GLY 37 -16.626 7.807 10.603 272 H HIS 38 H HIS 38 -15.152 7.071 8.085 273 HA HIS 38 HA HIS 38 -13.670 9.341 7.585 274 1HB HIS 38 1HB HIS 38 -13.715 6.846 6.510 275 2HB HIS 38 2HB HIS 38 -14.339 7.778 5.150 276 HD1 HIS 38 HD1 HIS 38 -12.262 7.806 3.689 277 HD2 HIS 38 HD2 HIS 38 -11.505 9.121 7.571 278 HE1 HIS 38 HE1 HIS 38 -9.906 8.732 3.685 279 H ALA 39 H ALA 39 -13.713 10.849 5.664 280 HA ALA 39 HA ALA 39 -15.812 11.299 3.919 281 1HB ALA 39 1HB ALA 39 -16.658 11.741 6.646 282 2HB ALA 39 2HB ALA 39 -16.761 13.243 5.728 283 3HB ALA 39 3HB ALA 39 -17.614 11.805 5.165 284 HA PRO 40 HA PRO 40 -13.721 15.505 4.779 285 1HB PRO 40 1HB PRO 40 -12.177 15.732 7.036 286 2HB PRO 40 2HB PRO 40 -13.913 16.084 6.995 287 1HG PRO 40 1HG PRO 40 -12.505 13.728 8.160 288 2HG PRO 40 2HG PRO 40 -14.072 14.430 8.599 289 1HD PRO 40 1HD PRO 40 -13.664 12.105 7.028 290 2HD PRO 40 2HD PRO 40 -15.197 12.981 7.228 291 H LEU 41 H LEU 41 -12.412 12.768 4.027 292 HA LEU 41 HA LEU 41 -9.564 13.605 4.212 293 1HB LEU 41 1HB LEU 41 -10.908 11.066 4.266 294 2HB LEU 41 2HB LEU 41 -9.798 11.100 2.895 295 HG LEU 41 HG LEU 41 -8.629 10.311 4.907 296 1HD1 LEU 41 1HD1 LEU 41 -7.827 12.396 3.221 297 2HD1 LEU 41 2HD1 LEU 41 -7.405 12.953 4.841 298 3HD1 LEU 41 3HD1 LEU 41 -6.776 11.417 4.244 299 1HD2 LEU 41 1HD2 LEU 41 -9.903 12.769 6.037 300 2HD2 LEU 41 2HD2 LEU 41 -9.654 11.191 6.785 301 3HD2 LEU 41 3HD2 LEU 41 -8.308 12.323 6.645 302 H LEU 42 H LEU 42 -8.972 14.894 2.535 303 HA LEU 42 HA LEU 42 -9.529 13.954 -0.215 304 1HB LEU 42 1HB LEU 42 -10.814 16.267 1.036 305 2HB LEU 42 2HB LEU 42 -9.942 16.694 -0.436 306 HG LEU 42 HG LEU 42 -11.925 14.410 -0.236 307 1HD1 LEU 42 1HD1 LEU 42 -12.760 16.885 0.001 308 2HD1 LEU 42 2HD1 LEU 42 -12.395 16.984 -1.722 309 3HD1 LEU 42 3HD1 LEU 42 -13.574 15.810 -1.136 310 1HD2 LEU 42 1HD2 LEU 42 -10.147 14.217 -1.982 311 2HD2 LEU 42 2HD2 LEU 42 -11.758 14.399 -2.678 312 3HD2 LEU 42 3HD2 LEU 42 -10.655 15.775 -2.633 313 H THR 43 H THR 43 -7.178 13.560 -0.016 314 HA THR 43 HA THR 43 -5.656 15.989 -0.750 315 HB THR 43 HB THR 43 -5.497 15.526 1.786 316 HG1 THR 43 HG1 THR 43 -3.430 16.223 1.740 317 1HG2 THR 43 1HG2 THR 43 -4.967 12.958 0.924 318 2HG2 THR 43 2HG2 THR 43 -3.359 13.578 1.296 319 3HG2 THR 43 3HG2 THR 43 -4.614 13.583 2.534 320 H ALA 44 H ALA 44 -3.137 14.366 -0.387 321 HA ALA 44 HA ALA 44 -3.470 12.725 -2.853 322 1HB ALA 44 1HB ALA 44 -1.753 14.636 -2.708 323 2HB ALA 44 2HB ALA 44 -0.848 13.584 -1.619 324 3HB ALA 44 3HB ALA 44 -1.158 13.078 -3.281 325 H ILE 45 H ILE 45 -1.528 10.916 -2.764 326 HA ILE 45 HA ILE 45 -1.744 9.557 -0.113 327 HB ILE 45 HB ILE 45 -1.763 7.865 -2.569 328 1HG1 ILE 45 1HG1 ILE 45 -4.242 9.274 -1.525 329 2HG1 ILE 45 2HG1 ILE 45 -3.438 9.656 -3.048 330 1HG2 ILE 45 1HG2 ILE 45 -2.323 7.669 0.269 331 2HG2 ILE 45 2HG2 ILE 45 -3.694 7.086 -0.676 332 3HG2 ILE 45 3HG2 ILE 45 -2.095 6.378 -0.910 333 1HD1 ILE 45 1HD1 ILE 45 -3.907 6.808 -2.854 334 2HD1 ILE 45 2HD1 ILE 45 -5.416 7.691 -2.622 335 3HD1 ILE 45 3HD1 ILE 45 -4.464 7.942 -4.085 336 H LYS 46 H LYS 46 -0.071 7.772 0.078 337 HA LYS 46 HA LYS 46 2.412 8.557 -1.398 338 1HB LYS 46 1HB LYS 46 2.595 7.115 1.209 339 2HB LYS 46 2HB LYS 46 3.650 8.356 0.538 340 1HG LYS 46 1HG LYS 46 0.833 8.975 1.449 341 2HG LYS 46 2HG LYS 46 2.210 9.046 2.546 342 1HD LYS 46 1HD LYS 46 3.323 10.579 0.834 343 2HD LYS 46 2HD LYS 46 1.748 10.686 0.050 344 1HE LYS 46 1HE LYS 46 0.767 11.784 1.874 345 2HE LYS 46 2HE LYS 46 1.998 11.210 3.000 346 1HZ LYS 46 1HZ LYS 46 3.270 12.680 0.995 347 2HZ LYS 46 2HZ LYS 46 1.954 13.603 1.546 348 3HZ LYS 46 3HZ LYS 46 3.132 13.058 2.643 349 HA PRO 47 HA PRO 47 2.808 4.391 -2.724 350 1HB PRO 47 1HB PRO 47 5.536 4.056 -2.631 351 2HB PRO 47 2HB PRO 47 4.710 5.031 -3.859 352 1HG PRO 47 1HG PRO 47 6.303 5.933 -1.505 353 2HG PRO 47 2HG PRO 47 6.000 6.764 -3.041 354 1HD PRO 47 1HD PRO 47 4.706 7.300 -0.578 355 2HD PRO 47 2HD PRO 47 4.198 7.887 -2.176 356 H GLY 48 H GLY 48 2.206 2.656 -1.471 357 1HA GLY 48 1HA GLY 48 4.045 1.473 0.430 358 2HA GLY 48 2HA GLY 48 2.689 2.255 1.245 359 H MET 49 H MET 49 1.694 0.338 1.961 360 HA MET 49 HA MET 49 0.608 -1.400 -0.218 361 1HB MET 49 1HB MET 49 0.544 -3.221 1.547 362 2HB MET 49 2HB MET 49 2.159 -2.743 1.031 363 1HG MET 49 1HG MET 49 2.312 -2.809 3.387 364 2HG MET 49 2HG MET 49 2.097 -1.098 3.030 365 1HE MET 49 1HE MET 49 0.506 -4.411 3.871 366 2HE MET 49 2HE MET 49 -1.120 -4.049 4.442 367 3HE MET 49 3HE MET 49 -0.738 -3.883 2.730 368 H ILE 50 H ILE 50 -1.318 -2.783 1.095 369 HA ILE 50 HA ILE 50 -2.899 -0.997 2.800 370 HB ILE 50 HB ILE 50 -3.360 -0.087 0.552 371 1HG1 ILE 50 1HG1 ILE 50 -5.145 -0.439 2.444 372 2HG1 ILE 50 2HG1 ILE 50 -5.679 0.053 0.840 373 1HG2 ILE 50 1HG2 ILE 50 -2.898 -2.135 -0.735 374 2HG2 ILE 50 2HG2 ILE 50 -4.338 -2.894 -0.055 375 3HG2 ILE 50 3HG2 ILE 50 -4.497 -1.499 -1.123 376 1HD1 ILE 50 1HD1 ILE 50 -5.490 -2.851 1.066 377 2HD1 ILE 50 2HD1 ILE 50 -6.581 -2.172 2.271 378 3HD1 ILE 50 3HD1 ILE 50 -6.854 -1.857 0.557 379 H ARG 51 H ARG 51 -4.847 -2.084 3.594 380 HA ARG 51 HA ARG 51 -5.147 -4.941 2.919 381 1HB ARG 51 1HB ARG 51 -3.422 -4.443 4.903 382 2HB ARG 51 2HB ARG 51 -4.916 -4.326 5.832 383 1HG ARG 51 1HG ARG 51 -5.501 -6.550 5.427 384 2HG ARG 51 2HG ARG 51 -4.498 -6.653 3.979 385 1HD ARG 51 1HD ARG 51 -3.395 -7.902 5.733 386 2HD ARG 51 2HD ARG 51 -2.471 -6.426 5.451 387 HE ARG 51 HE ARG 51 -3.824 -5.516 7.476 388 1HH1 ARG 51 1HH2 ARG 51 -1.459 -7.029 8.355 389 2HH1 ARG 51 2HH2 ARG 51 -2.129 -8.228 9.412 390 1HH2 ARG 51 1HH1 ARG 51 -5.367 -7.841 8.234 391 2HH2 ARG 51 2HH1 ARG 51 -4.340 -8.689 9.340 392 H ILE 52 H ILE 52 -7.300 -5.531 3.107 393 HA ILE 52 HA ILE 52 -9.086 -3.567 4.447 394 HB ILE 52 HB ILE 52 -10.887 -4.489 3.013 395 1HG1 ILE 52 1HG1 ILE 52 -9.452 -6.596 2.519 396 2HG1 ILE 52 2HG1 ILE 52 -10.410 -5.929 1.197 397 1HG2 ILE 52 1HG2 ILE 52 -8.538 -3.016 1.890 398 2HG2 ILE 52 2HG2 ILE 52 -9.906 -3.426 0.853 399 3HG2 ILE 52 3HG2 ILE 52 -10.153 -2.423 2.279 400 1HD1 ILE 52 1HD1 ILE 52 -7.751 -4.712 1.447 401 2HD1 ILE 52 2HD1 ILE 52 -7.702 -6.439 1.088 402 3HD1 ILE 52 3HD1 ILE 52 -8.569 -5.339 0.015 403 H VAL 53 H VAL 53 -11.026 -4.456 5.404 404 HA VAL 53 HA VAL 53 -10.735 -7.288 6.287 405 HB VAL 53 HB VAL 53 -11.497 -4.857 7.931 406 1HG1 VAL 53 1HG1 VAL 53 -12.633 -7.451 8.043 407 2HG1 VAL 53 2HG1 VAL 53 -11.533 -7.318 9.418 408 3HG1 VAL 53 3HG1 VAL 53 -12.827 -6.138 9.203 409 1HG2 VAL 53 1HG2 VAL 53 -9.249 -6.832 7.861 410 2HG2 VAL 53 2HG2 VAL 53 -9.207 -5.099 8.188 411 3HG2 VAL 53 3HG2 VAL 53 -9.758 -6.219 9.435 412 H LYS 54 H LYS 54 -12.184 -7.192 4.204 413 HA LYS 54 HA LYS 54 -14.695 -6.104 4.067 414 1HB LYS 54 1HB LYS 54 -13.949 -8.948 3.352 415 2HB LYS 54 2HB LYS 54 -15.410 -8.127 2.800 416 1HG LYS 54 1HG LYS 54 -13.650 -6.279 2.038 417 2HG LYS 54 2HG LYS 54 -12.565 -7.669 2.010 418 1HD LYS 54 1HD LYS 54 -15.272 -7.815 0.697 419 2HD LYS 54 2HD LYS 54 -13.899 -7.105 -0.152 420 1HE LYS 54 1HE LYS 54 -12.860 -9.452 0.924 421 2HE LYS 54 2HE LYS 54 -14.480 -9.913 0.400 422 1HZ LYS 54 1HZ LYS 54 -13.291 -8.256 -1.544 423 2HZ LYS 54 2HZ LYS 54 -12.232 -9.535 -1.182 424 3HZ LYS 54 3HZ LYS 54 -13.815 -9.864 -1.695 425 H GLN 55 H GLN 55 -16.447 -6.106 5.329 426 HA GLN 55 HA GLN 55 -17.821 -6.641 7.160 427 1HB GLN 55 1HB GLN 55 -18.630 -8.257 5.514 428 2HB GLN 55 2HB GLN 55 -17.351 -9.387 5.959 429 1HG GLN 55 1HG GLN 55 -19.579 -9.878 7.036 430 2HG GLN 55 2HG GLN 55 -18.261 -9.642 8.184 431 1HE2 GLN 55 2HE2 GLN 55 -21.155 -8.096 6.802 432 2HE2 GLN 55 1HE2 GLN 55 -21.302 -6.909 8.007 433 H HIS 56 H HIS 56 -16.320 -9.790 7.436 434 HA HIS 56 HA HIS 56 -14.402 -9.002 9.472 435 1HB HIS 56 1HB HIS 56 -16.941 -9.048 10.424 436 2HB HIS 56 2HB HIS 56 -16.503 -10.742 10.645 437 HD1 HIS 56 HD1 HIS 56 -16.824 -9.401 13.229 438 HD2 HIS 56 HD2 HIS 56 -13.240 -9.093 11.123 439 HE1 HIS 56 HE1 HIS 56 -15.052 -8.767 14.922 440 H GLY 57 H GLY 57 -12.811 -10.493 9.233 441 1HA GLY 57 1HA GLY 57 -12.173 -12.883 9.520 442 2HA GLY 57 2HA GLY 57 -13.613 -13.303 8.592 443 H HIS 58 H HIS 58 -13.649 -12.392 6.298 444 HA HIS 58 HA HIS 58 -11.227 -13.164 4.937 445 1HB HIS 58 1HB HIS 58 -13.931 -12.290 4.205 446 2HB HIS 58 2HB HIS 58 -12.693 -11.711 3.089 447 HD1 HIS 58 HD1 HIS 58 -14.857 -14.447 3.387 448 HD2 HIS 58 HD2 HIS 58 -10.769 -14.167 2.624 449 HE1 HIS 58 HE1 HIS 58 -14.182 -16.627 2.291 450 H GLU 59 H GLU 59 -9.583 -11.896 4.121 451 HA GLU 59 HA GLU 59 -9.848 -8.979 3.997 452 1HB GLU 59 1HB GLU 59 -7.605 -8.924 5.451 453 2HB GLU 59 2HB GLU 59 -9.195 -8.825 6.206 454 1HG GLU 59 1HG GLU 59 -9.144 -11.343 6.433 455 2HG GLU 59 2HG GLU 59 -7.461 -11.289 5.906 456 H GLU 60 H GLU 60 -7.851 -8.003 3.040 457 HA GLU 60 HA GLU 60 -5.888 -9.860 1.879 458 1HB GLU 60 1HB GLU 60 -8.244 -9.124 0.420 459 2HB GLU 60 2HB GLU 60 -6.850 -8.358 -0.344 460 1HG GLU 60 1HG GLU 60 -5.917 -10.898 0.239 461 2HG GLU 60 2HG GLU 60 -7.590 -11.190 -0.237 462 H PHE 61 H PHE 61 -4.427 -8.426 0.280 463 HA PHE 61 HA PHE 61 -4.337 -5.615 1.194 464 1HB PHE 61 1HB PHE 61 -1.770 -6.039 1.500 465 2HB PHE 61 2HB PHE 61 -2.882 -6.462 2.801 466 HD1 PHE 61 HD1 PHE 61 -3.538 -8.806 3.194 467 HD2 PHE 61 HD2 PHE 61 -0.643 -7.734 0.211 468 HE1 PHE 61 HE1 PHE 61 -2.793 -11.171 3.070 469 HE2 PHE 61 HE2 PHE 61 0.103 -10.099 0.081 470 HZ PHE 61 HZ PHE 61 -0.975 -11.817 1.511 471 H ILE 62 H ILE 62 -3.033 -4.268 -0.190 472 HA ILE 62 HA ILE 62 -2.156 -5.555 -2.735 473 HB ILE 62 HB ILE 62 -3.408 -2.836 -2.831 474 1HG1 ILE 62 1HG1 ILE 62 -4.965 -4.313 -1.500 475 2HG1 ILE 62 2HG1 ILE 62 -5.641 -3.757 -3.032 476 1HG2 ILE 62 1HG2 ILE 62 -2.701 -5.053 -4.639 477 2HG2 ILE 62 2HG2 ILE 62 -4.280 -4.339 -4.964 478 3HG2 ILE 62 3HG2 ILE 62 -2.837 -3.328 -4.975 479 1HD1 ILE 62 1HD1 ILE 62 -4.242 -6.143 -3.616 480 2HD1 ILE 62 2HD1 ILE 62 -5.165 -6.463 -2.147 481 3HD1 ILE 62 3HD1 ILE 62 -5.990 -5.906 -3.603 482 H TYR 63 H TYR 63 -1.300 -3.124 -3.950 483 HA TYR 63 HA TYR 63 0.434 -1.728 -2.042 484 1HB TYR 63 1HB TYR 63 1.852 -3.622 -2.328 485 2HB TYR 63 2HB TYR 63 1.522 -3.701 -4.058 486 HD1 TYR 63 HD1 TYR 63 3.224 -1.720 -1.403 487 HD2 TYR 63 HD2 TYR 63 2.739 -2.371 -5.620 488 HE1 TYR 63 HE1 TYR 63 5.175 -0.258 -1.856 489 HE2 TYR 63 HE2 TYR 63 4.688 -0.917 -6.075 490 HH TYR 63 HH TYR 63 6.171 1.002 -3.571 491 H LEU 64 H LEU 64 0.177 0.333 -2.734 492 HA LEU 64 HA LEU 64 0.096 0.821 -5.685 493 1HB LEU 64 1HB LEU 64 -1.165 2.865 -5.175 494 2HB LEU 64 2HB LEU 64 -1.979 1.466 -4.473 495 HG LEU 64 HG LEU 64 0.037 2.947 -2.819 496 1HD1 LEU 64 1HD1 LEU 64 -1.823 4.462 -3.993 497 2HD1 LEU 64 2HD1 LEU 64 -2.827 3.798 -2.703 498 3HD1 LEU 64 3HD1 LEU 64 -1.369 4.707 -2.306 499 1HD2 LEU 64 1HD2 LEU 64 -1.676 0.777 -2.443 500 2HD2 LEU 64 2HD2 LEU 64 -0.855 1.681 -1.169 501 3HD2 LEU 64 3HD2 LEU 64 -2.501 2.110 -1.635 502 H SER 65 H SER 65 0.851 3.256 -6.083 503 HA SER 65 HA SER 65 3.321 3.701 -4.457 504 1HB SER 65 1HB SER 65 2.945 3.886 -7.455 505 2HB SER 65 2HB SER 65 4.333 4.575 -6.617 506 HG SER 65 HG SER 65 4.482 2.340 -5.676 507 H GLY 66 H GLY 66 0.937 4.980 -3.811 508 1HA GLY 66 1HA GLY 66 0.570 7.260 -3.140 509 2HA GLY 66 2HA GLY 66 1.660 7.787 -4.424 510 H GLY 67 H GLY 67 -0.234 9.320 -4.793 511 1HA GLY 67 1HA GLY 67 -1.514 9.336 -7.060 512 2HA GLY 67 2HA GLY 67 -2.425 8.010 -6.336 513 H ILE 68 H ILE 68 -4.418 8.980 -6.060 514 HA ILE 68 HA ILE 68 -4.484 11.304 -4.187 515 HB ILE 68 HB ILE 68 -6.110 10.918 -6.717 516 1HG1 ILE 68 1HG1 ILE 68 -4.890 13.514 -6.241 517 2HG1 ILE 68 2HG1 ILE 68 -3.681 12.231 -6.203 518 1HG2 ILE 68 1HG2 ILE 68 -6.576 12.561 -4.264 519 2HG2 ILE 68 2HG2 ILE 68 -6.944 13.294 -5.826 520 3HG2 ILE 68 3HG2 ILE 68 -7.745 11.799 -5.341 521 1HD1 ILE 68 1HD1 ILE 68 -4.741 11.370 -8.370 522 2HD1 ILE 68 2HD1 ILE 68 -5.600 12.910 -8.437 523 3HD1 ILE 68 3HD1 ILE 68 -3.837 12.879 -8.491 524 H LEU 69 H LEU 69 -6.266 11.259 -2.717 525 HA LEU 69 HA LEU 69 -7.937 8.787 -2.852 526 1HB LEU 69 1HB LEU 69 -7.622 8.349 -0.537 527 2HB LEU 69 2HB LEU 69 -6.009 8.693 -1.161 528 HG LEU 69 HG LEU 69 -6.715 11.192 -0.501 529 1HD1 LEU 69 1HD1 LEU 69 -8.798 9.587 0.604 530 2HD1 LEU 69 2HD1 LEU 69 -7.827 10.197 1.944 531 3HD1 LEU 69 3HD1 LEU 69 -8.550 11.323 0.794 532 1HD2 LEU 69 1HD2 LEU 69 -4.993 9.264 0.476 533 2HD2 LEU 69 2HD2 LEU 69 -5.061 10.935 1.035 534 3HD2 LEU 69 3HD2 LEU 69 -5.947 9.678 1.900 535 H GLU 70 H GLU 70 -10.077 9.161 -2.578 536 HA GLU 70 HA GLU 70 -10.927 11.694 -1.256 537 1HB GLU 70 1HB GLU 70 -12.802 11.739 -3.024 538 2HB GLU 70 2HB GLU 70 -11.195 12.233 -3.559 539 1HG GLU 70 1HG GLU 70 -10.787 10.102 -4.585 540 2HG GLU 70 2HG GLU 70 -12.218 9.397 -3.834 541 H VAL 71 H VAL 71 -12.463 11.277 0.290 542 HA VAL 71 HA VAL 71 -13.612 8.536 0.335 543 HB VAL 71 HB VAL 71 -12.487 9.217 2.378 544 1HG1 VAL 71 1HG1 VAL 71 -14.358 11.597 2.239 545 2HG1 VAL 71 2HG1 VAL 71 -13.408 11.180 3.665 546 3HG1 VAL 71 3HG1 VAL 71 -12.596 11.622 2.163 547 1HG2 VAL 71 1HG2 VAL 71 -15.359 8.673 2.245 548 2HG2 VAL 71 2HG2 VAL 71 -14.136 7.975 3.306 549 3HG2 VAL 71 3HG2 VAL 71 -14.903 9.506 3.731 550 H GLN 72 H GLN 72 -15.722 8.209 -0.128 551 HA GLN 72 HA GLN 72 -17.476 10.611 -0.389 552 1HB GLN 72 1HB GLN 72 -18.382 7.999 -1.476 553 2HB GLN 72 2HB GLN 72 -18.493 9.610 -2.183 554 1HG GLN 72 1HG GLN 72 -15.938 9.460 -2.489 555 2HG GLN 72 2HG GLN 72 -16.129 7.734 -2.179 556 1HE2 GLN 72 2HE2 GLN 72 -17.295 10.350 -4.348 557 2HE2 GLN 72 1HE2 GLN 72 -17.646 9.321 -5.652 558 HA PRO 73 HA PRO 73 -20.139 9.095 2.753 559 1HB PRO 73 1HB PRO 73 -22.636 9.554 1.700 560 2HB PRO 73 2HB PRO 73 -21.570 10.842 2.289 561 1HG PRO 73 1HG PRO 73 -22.232 10.094 -0.519 562 2HG PRO 73 2HG PRO 73 -21.713 11.657 0.134 563 1HD PRO 73 1HD PRO 73 -20.081 9.803 -1.261 564 2HD PRO 73 2HD PRO 73 -19.514 11.219 -0.348 565 H GLY 74 H GLY 74 -20.189 6.894 3.132 566 1HA GLY 74 1HA GLY 74 -21.135 4.726 3.075 567 2HA GLY 74 2HA GLY 74 -22.207 5.267 1.784 568 H ASN 75 H ASN 75 -18.829 5.881 1.396 569 HA ASN 75 HA ASN 75 -17.872 3.500 0.263 570 1HB ASN 75 1HB ASN 75 -18.215 4.061 -2.206 571 2HB ASN 75 2HB ASN 75 -19.646 3.494 -1.345 572 1HD2 ASN 75 2HD2 ASN 75 -18.857 5.716 -3.595 573 2HD2 ASN 75 1HD2 ASN 75 -19.930 6.967 -3.190 574 H VAL 76 H VAL 76 -15.868 3.892 -1.008 575 HA VAL 76 HA VAL 76 -14.966 6.724 -1.053 576 HB VAL 76 HB VAL 76 -12.822 6.090 0.015 577 1HG1 VAL 76 1HG1 VAL 76 -15.344 5.452 1.571 578 2HG1 VAL 76 2HG1 VAL 76 -13.762 5.668 2.319 579 3HG1 VAL 76 3HG1 VAL 76 -14.524 7.010 1.465 580 1HG2 VAL 76 1HG2 VAL 76 -14.213 3.427 0.451 581 2HG2 VAL 76 2HG2 VAL 76 -12.842 3.705 -0.624 582 3HG2 VAL 76 3HG2 VAL 76 -12.647 3.884 1.120 583 H THR 77 H THR 77 -13.004 6.991 -2.417 584 HA THR 77 HA THR 77 -12.295 4.712 -4.155 585 HB THR 77 HB THR 77 -12.808 6.890 -5.922 586 HG1 THR 77 HG1 THR 77 -14.283 7.637 -4.389 587 1HG2 THR 77 1HG2 THR 77 -14.223 4.243 -5.497 588 2HG2 THR 77 2HG2 THR 77 -14.376 5.255 -6.934 589 3HG2 THR 77 3HG2 THR 77 -12.824 4.518 -6.535 590 H VAL 78 H VAL 78 -10.240 4.983 -5.078 591 HA VAL 78 HA VAL 78 -8.946 7.630 -4.970 592 HB VAL 78 HB VAL 78 -7.176 7.024 -3.510 593 1HG1 VAL 78 1HG1 VAL 78 -9.731 5.810 -2.413 594 2HG1 VAL 78 2HG1 VAL 78 -8.336 6.284 -1.445 595 3HG1 VAL 78 3HG1 VAL 78 -9.264 7.507 -2.311 596 1HG2 VAL 78 1HG2 VAL 78 -6.914 4.706 -4.500 597 2HG2 VAL 78 2HG2 VAL 78 -6.738 4.773 -2.747 598 3HG2 VAL 78 3HG2 VAL 78 -8.238 4.184 -3.459 599 H LEU 79 H LEU 79 -6.930 7.646 -6.216 600 HA LEU 79 HA LEU 79 -6.667 5.264 -8.007 601 1HB LEU 79 1HB LEU 79 -6.454 8.210 -8.680 602 2HB LEU 79 2HB LEU 79 -5.944 6.922 -9.772 603 HG LEU 79 HG LEU 79 -8.346 5.968 -9.345 604 1HD1 LEU 79 1HD1 LEU 79 -8.436 8.713 -8.194 605 2HD1 LEU 79 2HD1 LEU 79 -9.811 8.222 -9.182 606 3HD1 LEU 79 3HD1 LEU 79 -9.367 7.281 -7.759 607 1HD2 LEU 79 1HD2 LEU 79 -7.562 8.313 -11.069 608 2HD2 LEU 79 2HD2 LEU 79 -7.835 6.636 -11.544 609 3HD2 LEU 79 3HD2 LEU 79 -9.203 7.671 -11.134 610 H ALA 80 H ALA 80 -4.440 5.154 -9.029 611 HA ALA 80 HA ALA 80 -2.313 6.464 -7.435 612 1HB ALA 80 1HB ALA 80 -3.131 3.983 -6.670 613 2HB ALA 80 2HB ALA 80 -1.905 3.561 -7.866 614 3HB ALA 80 3HB ALA 80 -1.477 4.564 -6.480 615 H ASP 81 H ASP 81 -0.350 4.523 -8.559 616 HA ASP 81 HA ASP 81 -0.592 5.097 -11.469 617 1HB ASP 81 1HB ASP 81 1.614 5.980 -9.615 618 2HB ASP 81 2HB ASP 81 1.946 5.684 -11.322 619 H THR 82 H THR 82 1.600 3.608 -9.045 620 HA THR 82 HA THR 82 1.912 1.323 -10.946 621 HB THR 82 HB THR 82 3.736 2.400 -8.783 622 HG1 THR 82 HG1 THR 82 5.145 2.502 -10.608 623 1HG2 THR 82 1HG2 THR 82 3.604 -0.279 -10.092 624 2HG2 THR 82 2HG2 THR 82 5.196 0.433 -9.833 625 3HG2 THR 82 3HG2 THR 82 4.123 0.151 -8.463 626 H ALA 83 H ALA 83 1.690 -0.805 -10.117 627 HA ALA 83 HA ALA 83 0.778 -1.059 -7.298 628 1HB ALA 83 1HB ALA 83 -0.769 -1.770 -9.775 629 2HB ALA 83 2HB ALA 83 -0.987 -2.724 -8.308 630 3HB ALA 83 3HB ALA 83 -1.335 -0.995 -8.296 631 H ILE 84 H ILE 84 1.233 -3.114 -6.396 632 HA ILE 84 HA ILE 84 2.735 -4.983 -8.176 633 HB ILE 84 HB ILE 84 3.366 -4.162 -5.332 634 1HG1 ILE 84 1HG1 ILE 84 4.894 -3.961 -7.949 635 2HG1 ILE 84 2HG1 ILE 84 4.188 -2.615 -7.052 636 1HG2 ILE 84 1HG2 ILE 84 4.595 -6.322 -7.062 637 2HG2 ILE 84 2HG2 ILE 84 5.221 -5.791 -5.501 638 3HG2 ILE 84 3HG2 ILE 84 3.646 -6.578 -5.598 639 1HD1 ILE 84 1HD1 ILE 84 5.657 -3.568 -5.073 640 2HD1 ILE 84 2HD1 ILE 84 6.593 -4.277 -6.390 641 3HD1 ILE 84 3HD1 ILE 84 6.384 -2.528 -6.298 642 H ARG 85 H ARG 85 0.438 -4.550 -5.579 643 HA ARG 85 HA ARG 85 -1.101 -6.050 -4.647 644 1HB ARG 85 1HB ARG 85 -0.936 -6.838 -7.226 645 2HB ARG 85 2HB ARG 85 -0.294 -8.280 -6.441 646 1HG ARG 85 1HG ARG 85 -2.271 -8.602 -5.167 647 2HG ARG 85 2HG ARG 85 -2.850 -6.972 -5.506 648 1HD ARG 85 1HD ARG 85 -2.849 -7.696 -7.988 649 2HD ARG 85 2HD ARG 85 -2.734 -9.343 -7.367 650 HE ARG 85 HE ARG 85 -4.935 -7.611 -6.369 651 1HH1 ARG 85 1HH1 ARG 85 -4.122 -9.644 -8.940 652 2HH1 ARG 85 2HH1 ARG 85 -5.508 -10.671 -8.786 653 1HH2 ARG 85 1HH2 ARG 85 -6.587 -9.215 -5.828 654 2HH2 ARG 85 2HH2 ARG 85 -6.903 -10.427 -7.025 655 H GLY 86 H GLY 86 -1.089 -7.860 -3.166 656 1HA GLY 86 1HA GLY 86 1.222 -8.236 -1.660 657 2HA GLY 86 2HA GLY 86 -0.084 -9.421 -1.718 658 H GLN 87 H GLN 87 0.293 -9.853 -4.637 659 HA GLN 87 HA GLN 87 3.005 -10.819 -5.016 660 1HB GLN 87 1HB GLN 87 1.142 -12.522 -3.660 661 2HB GLN 87 2HB GLN 87 1.465 -13.206 -5.254 662 1HG GLN 87 1HG GLN 87 3.918 -12.923 -4.809 663 2HG GLN 87 2HG GLN 87 3.514 -12.425 -3.166 664 1HE2 GLN 87 2HE2 GLN 87 3.087 -15.176 -5.446 665 2HE2 GLN 87 1HE2 GLN 87 2.994 -16.362 -4.235 666 H ASP 88 H ASP 88 2.523 -9.470 -6.928 667 HA ASP 88 HA ASP 88 0.447 -10.282 -8.791 668 1HB ASP 88 1HB ASP 88 1.398 -7.968 -8.697 669 2HB ASP 88 2HB ASP 88 2.918 -8.607 -9.324 670 H LEU 89 H LEU 89 3.776 -11.176 -8.232 671 HA LEU 89 HA LEU 89 3.652 -13.570 -9.719 672 1HB LEU 89 1HB LEU 89 3.687 -11.429 -11.470 673 2HB LEU 89 2HB LEU 89 5.391 -11.874 -11.371 674 HG LEU 89 HG LEU 89 4.386 -13.169 -13.151 675 1HD1 LEU 89 1HD1 LEU 89 5.990 -14.282 -11.513 676 2HD1 LEU 89 2HD1 LEU 89 4.573 -15.000 -10.747 677 3HD1 LEU 89 3HD1 LEU 89 4.956 -15.382 -12.426 678 1HD2 LEU 89 1HD2 LEU 89 2.363 -13.993 -11.043 679 2HD2 LEU 89 2HD2 LEU 89 2.044 -12.995 -12.461 680 3HD2 LEU 89 3HD2 LEU 89 2.471 -14.694 -12.658 681 H ASP 90 H ASP 90 5.896 -10.839 -9.168 682 HA ASP 90 HA ASP 90 8.041 -12.754 -8.472 683 1HB ASP 90 1HB ASP 90 7.875 -9.850 -9.112 684 2HB ASP 90 2HB ASP 90 9.165 -10.351 -8.018 685 H GLU 91 H GLU 91 8.232 -13.430 -6.399 686 HA GLU 91 HA GLU 91 7.491 -11.518 -4.225 687 1HB GLU 91 1HB GLU 91 6.390 -13.243 -2.991 688 2HB GLU 91 2HB GLU 91 5.766 -13.371 -4.635 689 1HG GLU 91 1HG GLU 91 7.348 -15.179 -5.123 690 2HG GLU 91 2HG GLU 91 8.041 -15.028 -3.508 691 H ALA 92 H ALA 92 9.362 -14.363 -5.208 692 HA ALA 92 HA ALA 92 10.983 -14.371 -2.785 693 1HB ALA 92 1HB ALA 92 10.474 -16.255 -4.652 694 2HB ALA 92 2HB ALA 92 12.008 -15.643 -5.271 695 3HB ALA 92 3HB ALA 92 11.913 -16.290 -3.633 696 H ARG 93 H ARG 93 10.985 -12.588 -5.716 697 HA ARG 93 HA ARG 93 13.867 -11.964 -5.572 698 1HB ARG 93 1HB ARG 93 12.717 -12.205 -7.775 699 2HB ARG 93 2HB ARG 93 11.721 -10.804 -7.376 700 1HG ARG 93 1HG ARG 93 13.351 -9.414 -8.056 701 2HG ARG 93 2HG ARG 93 14.480 -10.146 -6.916 702 1HD ARG 93 1HD ARG 93 14.640 -12.063 -8.682 703 2HD ARG 93 2HD ARG 93 13.972 -10.868 -9.795 704 HE ARG 93 HE ARG 93 16.674 -10.865 -8.701 705 1HH1 ARG 93 1HH1 ARG 93 14.785 -9.644 -11.111 706 2HH1 ARG 93 2HH1 ARG 93 15.465 -8.051 -11.119 707 1HH2 ARG 93 1HH2 ARG 93 17.255 -8.516 -8.186 708 2HH2 ARG 93 2HH2 ARG 93 16.864 -7.412 -9.462 709 H ALA 94 H ALA 94 11.268 -11.020 -3.823 710 HA ALA 94 HA ALA 94 11.883 -8.129 -3.787 711 1HB ALA 94 1HB ALA 94 9.609 -9.728 -3.148 712 2HB ALA 94 2HB ALA 94 10.116 -8.914 -1.668 713 3HB ALA 94 3HB ALA 94 9.740 -7.969 -3.109 714 H MET 95 H MET 95 12.806 -11.009 -2.192 715 HA MET 95 HA MET 95 13.609 -9.666 0.303 716 1HB MET 95 1HB MET 95 13.323 -12.418 -0.653 717 2HB MET 95 2HB MET 95 14.809 -12.173 0.262 718 1HG MET 95 1HG MET 95 13.023 -10.806 1.809 719 2HG MET 95 2HG MET 95 12.000 -12.095 1.175 720 1HE MET 95 1HE MET 95 12.617 -11.410 3.955 721 2HE MET 95 2HE MET 95 13.475 -12.638 4.897 722 3HE MET 95 3HE MET 95 14.363 -11.304 4.164 723 H GLU 96 H GLU 96 15.267 -11.378 -2.372 724 HA GLU 96 HA GLU 96 17.918 -10.787 -1.581 725 1HB GLU 96 1HB GLU 96 16.565 -11.507 -4.127 726 2HB GLU 96 2HB GLU 96 18.152 -10.750 -4.279 727 1HG GLU 96 1HG GLU 96 18.670 -12.518 -2.292 728 2HG GLU 96 2HG GLU 96 17.422 -13.404 -3.170 729 H ALA 97 H ALA 97 15.525 -8.802 -3.228 730 HA ALA 97 HA ALA 97 17.220 -6.757 -4.219 731 1HB ALA 97 1HB ALA 97 14.357 -6.855 -3.319 732 2HB ALA 97 2HB ALA 97 15.091 -5.295 -3.691 733 3HB ALA 97 3HB ALA 97 15.008 -6.549 -4.929 734 H LYS 98 H LYS 98 15.502 -6.895 -1.076 735 HA LYS 98 HA LYS 98 16.535 -4.521 0.026 736 1HB LYS 98 1HB LYS 98 14.790 -5.841 1.139 737 2HB LYS 98 2HB LYS 98 15.945 -7.140 1.438 738 1HG LYS 98 1HG LYS 98 17.283 -5.698 2.862 739 2HG LYS 98 2HG LYS 98 16.267 -4.310 2.472 740 1HD LYS 98 1HD LYS 98 14.871 -4.853 4.147 741 2HD LYS 98 2HD LYS 98 14.565 -6.415 3.389 742 1HE LYS 98 1HE LYS 98 17.002 -6.902 4.457 743 2HE LYS 98 2HE LYS 98 16.397 -5.722 5.620 744 1HZ LYS 98 1HZ LYS 98 14.269 -7.344 5.225 745 2HZ LYS 98 2HZ LYS 98 15.570 -8.435 5.161 746 3HZ LYS 98 3HZ LYS 98 15.349 -7.450 6.527 747 H ARG 99 H ARG 99 18.052 -7.671 -0.358 748 HA ARG 99 HA ARG 99 20.288 -7.197 1.386 749 1HB ARG 99 1HB ARG 99 19.641 -9.116 -0.810 750 2HB ARG 99 2HB ARG 99 21.336 -8.936 -0.358 751 1HG ARG 99 1HG ARG 99 20.978 -10.269 1.418 752 2HG ARG 99 2HG ARG 99 19.853 -9.070 2.059 753 1HD ARG 99 1HD ARG 99 18.251 -10.205 0.217 754 2HD ARG 99 2HD ARG 99 19.293 -11.585 0.566 755 HE ARG 99 HE ARG 99 17.216 -10.684 2.269 756 1HH1 ARG 99 1HH1 ARG 99 20.200 -12.300 2.179 757 2HH1 ARG 99 2HH1 ARG 99 20.342 -12.464 3.897 758 1HH2 ARG 99 1HH2 ARG 99 17.543 -10.535 4.579 759 2HH2 ARG 99 2HH2 ARG 99 18.837 -11.464 5.256 760 H LYS 100 H LYS 100 19.807 -6.683 -2.112 761 HA LYS 100 HA LYS 100 22.492 -5.521 -2.379 762 1HB LYS 100 1HB LYS 100 21.980 -5.304 -4.713 763 2HB LYS 100 2HB LYS 100 21.309 -6.853 -4.199 764 1HG LYS 100 1HG LYS 100 19.090 -5.862 -3.977 765 2HG LYS 100 2HG LYS 100 19.734 -4.268 -4.374 766 1HD LYS 100 1HD LYS 100 20.599 -5.473 -6.547 767 2HD LYS 100 2HD LYS 100 19.341 -6.649 -6.163 768 1HE LYS 100 1HE LYS 100 18.573 -3.775 -6.039 769 2HE LYS 100 2HE LYS 100 18.852 -4.454 -7.642 770 1HZ LYS 100 1HZ LYS 100 17.331 -6.288 -7.011 771 2HZ LYS 100 2HZ LYS 100 16.965 -5.450 -5.578 772 3HZ LYS 100 3HZ LYS 100 16.573 -4.770 -7.083 773 H ALA 101 H ALA 101 19.567 -4.407 -1.213 774 HA ALA 101 HA ALA 101 19.851 -1.667 -2.284 775 1HB ALA 101 1HB ALA 101 17.727 -3.232 -1.106 776 2HB ALA 101 2HB ALA 101 17.917 -1.716 -0.224 777 3HB ALA 101 3HB ALA 101 17.622 -1.693 -1.962 778 H GLU 102 H GLU 102 21.137 -3.474 0.245 779 HA GLU 102 HA GLU 102 21.262 -1.260 2.179 780 1HB GLU 102 1HB GLU 102 21.062 -3.536 3.042 781 2HB GLU 102 2HB GLU 102 22.522 -4.019 2.178 782 1HG GLU 102 1HG GLU 102 23.682 -3.441 4.025 783 2HG GLU 102 2HG GLU 102 23.291 -1.764 3.645 784 H GLU 103 H GLU 103 23.229 -2.647 -0.351 785 HA GLU 103 HA GLU 103 25.766 -1.605 0.489 786 1HB GLU 103 1HB GLU 103 25.247 -3.320 -1.381 787 2HB GLU 103 2HB GLU 103 24.943 -1.911 -2.399 788 1HG GLU 103 1HG GLU 103 27.152 -1.627 -2.701 789 2HG GLU 103 2HG GLU 103 27.387 -1.487 -0.958 790 H HIS 104 H HIS 104 23.209 -0.272 -1.605 791 HA HIS 104 HA HIS 104 24.692 2.220 -2.011 792 1HB HIS 104 1HB HIS 104 22.063 1.100 -2.878 793 2HB HIS 104 2HB HIS 104 22.242 2.856 -2.875 794 HD1 HIS 104 HD1 HIS 104 22.527 3.286 -5.358 795 HD2 HIS 104 HD2 HIS 104 25.122 0.343 -3.948 796 HE1 HIS 104 HE1 HIS 104 24.135 2.782 -7.249 797 H ILE 105 H ILE 105 22.624 0.947 0.398 798 HA ILE 105 HA ILE 105 21.684 3.595 1.300 799 HB ILE 105 HB ILE 105 21.297 0.784 2.354 800 1HG1 ILE 105 1HG1 ILE 105 20.043 1.570 0.300 801 2HG1 ILE 105 2HG1 ILE 105 19.005 1.118 1.654 802 1HG2 ILE 105 1HG2 ILE 105 20.782 3.442 3.605 803 2HG2 ILE 105 2HG2 ILE 105 19.524 2.218 3.773 804 3HG2 ILE 105 3HG2 ILE 105 21.154 1.895 4.365 805 1HD1 ILE 105 1HD1 ILE 105 19.779 3.909 1.836 806 2HD1 ILE 105 2HD1 ILE 105 19.004 3.572 0.288 807 3HD1 ILE 105 3HD1 ILE 105 18.163 3.203 1.794 808 H SER 106 H SER 106 24.320 1.441 1.863 809 HA SER 106 HA SER 106 24.942 2.558 4.516 810 1HB SER 106 1HB SER 106 25.485 0.216 4.108 811 2HB SER 106 2HB SER 106 26.457 0.653 2.706 812 HG SER 106 HG SER 106 27.267 0.443 5.168 813 H SER 107 H SER 107 24.879 4.769 3.196 814 HA SER 107 HA SER 107 27.600 5.721 3.092 815 1HB SER 107 1HB SER 107 27.076 4.459 0.806 816 2HB SER 107 2HB SER 107 26.283 5.984 0.417 817 HG SER 107 HG SER 107 28.430 6.121 -0.185 818 H SER 108 H SER 108 27.608 8.082 2.317 819 HA SER 108 HA SER 108 25.150 9.528 2.028 820 1HB SER 108 1HB SER 108 24.750 8.924 4.349 821 2HB SER 108 2HB SER 108 26.366 9.455 4.806 822 HG SER 108 HG SER 108 25.441 11.315 5.109 823 H HIS 109 H HIS 109 26.230 10.809 0.532 824 HA HIS 109 HA HIS 109 28.066 12.824 1.615 825 1HB HIS 109 1HB HIS 109 29.301 10.587 0.741 826 2HB HIS 109 2HB HIS 109 29.154 11.451 -0.790 827 HD1 HIS 109 HD1 HIS 109 31.490 12.353 -1.104 828 HD2 HIS 109 HD2 HIS 109 29.998 13.148 2.707 829 HE1 HIS 109 HE1 HIS 109 33.165 13.887 0.017 830 H GLY 110 H GLY 110 26.044 13.972 0.887 831 1HA GLY 110 1HA GLY 110 26.361 15.528 -1.365 832 2HA GLY 110 2HA GLY 110 25.510 14.111 -1.980 833 H ASP 111 H ASP 111 24.202 16.499 -2.154 834 HA ASP 111 HA ASP 111 22.551 17.032 0.177 835 1HB ASP 111 1HB ASP 111 23.095 18.686 -1.684 836 2HB ASP 111 2HB ASP 111 21.950 17.798 -2.689 837 H VAL 112 H VAL 112 21.952 15.448 -2.976 838 HA VAL 112 HA VAL 112 19.594 14.114 -1.702 839 HB VAL 112 HB VAL 112 18.563 14.028 -3.912 840 1HG1 VAL 112 1HG1 VAL 112 18.514 16.154 -2.428 841 2HG1 VAL 112 2HG1 VAL 112 19.621 16.839 -3.619 842 3HG1 VAL 112 3HG1 VAL 112 18.009 16.316 -4.110 843 1HG2 VAL 112 1HG2 VAL 112 21.137 14.145 -4.863 844 2HG2 VAL 112 2HG2 VAL 112 19.697 14.384 -5.853 845 3HG2 VAL 112 3HG2 VAL 112 20.560 15.777 -5.201 846 H ASP 113 H ASP 113 22.358 13.179 -1.656 847 HA ASP 113 HA ASP 113 22.548 11.032 -3.641 848 1HB ASP 113 1HB ASP 113 24.598 12.067 -2.826 849 2HB ASP 113 2HB ASP 113 24.169 11.674 -1.159 850 H TYR 114 H TYR 114 23.299 10.244 -0.330 851 HA TYR 114 HA TYR 114 21.646 7.882 -0.402 852 1HB TYR 114 1HB TYR 114 23.494 7.684 1.036 853 2HB TYR 114 2HB TYR 114 23.267 9.297 1.707 854 HD1 TYR 114 HD1 TYR 114 21.068 6.270 1.310 855 HD2 TYR 114 HD2 TYR 114 22.693 9.240 3.954 856 HE1 TYR 114 HE1 TYR 114 19.761 5.312 3.188 857 HE2 TYR 114 HE2 TYR 114 21.387 8.283 5.832 858 HH TYR 114 HH TYR 114 18.980 6.747 5.802 859 H ALA 115 H ALA 115 21.027 11.165 0.201 860 HA ALA 115 HA ALA 115 18.861 10.925 2.089 861 1HB ALA 115 1HB ALA 115 20.214 13.003 0.617 862 2HB ALA 115 2HB ALA 115 18.467 13.207 0.451 863 3HB ALA 115 3HB ALA 115 19.199 13.154 2.054 864 H GLN 116 H GLN 116 19.065 10.966 -1.458 865 HA GLN 116 HA GLN 116 16.146 10.805 -1.738 866 1HB GLN 116 1HB GLN 116 18.379 11.414 -3.440 867 2HB GLN 116 2HB GLN 116 17.443 10.107 -4.169 868 1HG GLN 116 1HG GLN 116 16.133 12.602 -3.075 869 2HG GLN 116 2HG GLN 116 16.692 12.489 -4.744 870 1HE2 GLN 116 2HE2 GLN 116 15.436 11.240 -6.221 871 2HE2 GLN 116 1HE2 GLN 116 13.995 10.456 -5.784 872 H ALA 117 H ALA 117 18.558 8.610 -0.974 873 HA ALA 117 HA ALA 117 17.356 6.347 -2.443 874 1HB ALA 117 1HB ALA 117 19.857 6.595 -2.062 875 2HB ALA 117 2HB ALA 117 19.550 6.255 -0.358 876 3HB ALA 117 3HB ALA 117 19.178 5.040 -1.581 877 H SER 118 H SER 118 17.091 7.896 0.626 878 HA SER 118 HA SER 118 16.143 5.561 2.087 879 1HB SER 118 1HB SER 118 16.324 8.502 2.610 880 2HB SER 118 2HB SER 118 15.217 7.549 3.594 881 HG SER 118 HG SER 118 17.229 6.087 3.678 882 H ALA 119 H ALA 119 14.676 8.076 0.121 883 HA ALA 119 HA ALA 119 11.954 7.271 0.935 884 1HB ALA 119 1HB ALA 119 13.096 9.622 -0.110 885 2HB ALA 119 2HB ALA 119 12.060 8.995 -1.392 886 3HB ALA 119 3HB ALA 119 11.386 9.325 0.204 887 H GLU 120 H GLU 120 14.172 6.852 -1.773 888 HA GLU 120 HA GLU 120 12.173 5.671 -3.527 889 1HB GLU 120 1HB GLU 120 15.197 5.467 -3.644 890 2HB GLU 120 2HB GLU 120 14.076 5.096 -4.954 891 1HG GLU 120 1HG GLU 120 13.706 7.773 -3.779 892 2HG GLU 120 2HG GLU 120 15.263 7.543 -4.575 893 H LEU 121 H LEU 121 14.576 4.437 -1.234 894 HA LEU 121 HA LEU 121 14.176 1.658 -1.961 895 1HB LEU 121 1HB LEU 121 16.148 2.821 -0.646 896 2HB LEU 121 2HB LEU 121 15.134 2.487 0.759 897 HG LEU 121 HG LEU 121 15.584 0.287 -1.219 898 1HD1 LEU 121 1HD1 LEU 121 17.732 1.673 0.015 899 2HD1 LEU 121 2HD1 LEU 121 17.540 0.151 0.886 900 3HD1 LEU 121 3HD1 LEU 121 17.799 0.142 -0.859 901 1HD2 LEU 121 1HD2 LEU 121 14.510 0.649 1.434 902 2HD2 LEU 121 2HD2 LEU 121 14.474 -0.792 0.418 903 3HD2 LEU 121 3HD2 LEU 121 15.843 -0.506 1.490 904 H ALA 122 H ALA 122 13.284 3.424 1.034 905 HA ALA 122 HA ALA 122 11.660 1.548 2.239 906 1HB ALA 122 1HB ALA 122 11.151 4.526 1.986 907 2HB ALA 122 2HB ALA 122 10.293 3.470 3.108 908 3HB ALA 122 3HB ALA 122 12.032 3.710 3.277 909 H LYS 123 H LYS 123 10.976 3.323 -0.697 910 HA LYS 123 HA LYS 123 8.149 2.894 -0.803 911 1HB LYS 123 1HB LYS 123 9.120 4.460 -2.341 912 2HB LYS 123 2HB LYS 123 10.229 3.244 -2.975 913 1HG LYS 123 1HG LYS 123 8.340 1.963 -3.883 914 2HG LYS 123 2HG LYS 123 7.207 3.139 -3.215 915 1HD LYS 123 1HD LYS 123 7.526 4.556 -4.943 916 2HD LYS 123 2HD LYS 123 9.281 4.423 -4.814 917 1HE LYS 123 1HE LYS 123 9.350 2.500 -6.195 918 2HE LYS 123 2HE LYS 123 7.621 2.211 -6.021 919 1HZ LYS 123 1HZ LYS 123 7.228 4.306 -7.216 920 2HZ LYS 123 2HZ LYS 123 8.899 4.471 -7.461 921 3HZ LYS 123 3HZ LYS 123 8.063 3.167 -8.160 922 H ALA 124 H ALA 124 10.799 1.038 -2.346 923 HA ALA 124 HA ALA 124 9.040 -1.090 -3.199 924 1HB ALA 124 1HB ALA 124 11.989 -0.632 -3.115 925 2HB ALA 124 2HB ALA 124 11.423 -2.295 -3.275 926 3HB ALA 124 3HB ALA 124 10.962 -1.087 -4.475 927 H ILE 125 H ILE 125 10.370 -0.275 -0.169 928 HA ILE 125 HA ILE 125 10.526 -3.024 0.842 929 HB ILE 125 HB ILE 125 10.535 -0.403 2.370 930 1HG1 ILE 125 1HG1 ILE 125 12.358 -0.485 0.721 931 2HG1 ILE 125 2HG1 ILE 125 13.003 -0.684 2.351 932 1HG2 ILE 125 1HG2 ILE 125 10.849 -3.267 3.085 933 2HG2 ILE 125 2HG2 ILE 125 12.012 -2.160 3.815 934 3HG2 ILE 125 3HG2 ILE 125 10.284 -1.916 4.069 935 1HD1 ILE 125 1HD1 ILE 125 12.336 -3.280 1.466 936 2HD1 ILE 125 2HD1 ILE 125 13.154 -2.503 0.111 937 3HD1 ILE 125 3HD1 ILE 125 13.954 -2.610 1.679 938 H ALA 126 H ALA 126 7.963 -1.154 -0.006 939 HA ALA 126 HA ALA 126 6.277 -1.658 2.346 940 1HB ALA 126 1HB ALA 126 6.182 0.084 0.111 941 2HB ALA 126 2HB ALA 126 4.769 -0.965 -0.010 942 3HB ALA 126 3HB ALA 126 5.036 -0.009 1.448 943 H GLN 127 H GLN 127 6.669 -2.961 -0.938 944 HA GLN 127 HA GLN 127 4.467 -4.844 -0.640 945 1HB GLN 127 1HB GLN 127 5.286 -3.983 -2.854 946 2HB GLN 127 2HB GLN 127 6.762 -4.922 -2.620 947 1HG GLN 127 1HG GLN 127 4.514 -6.624 -2.109 948 2HG GLN 127 2HG GLN 127 4.269 -5.824 -3.662 949 1HE2 GLN 127 2HE2 GLN 127 4.710 -7.908 -4.769 950 2HE2 GLN 127 1HE2 GLN 127 6.301 -8.480 -4.911 951 H LEU 128 H LEU 128 7.566 -4.714 0.650 952 HA LEU 128 HA LEU 128 8.126 -7.590 0.557 953 1HB LEU 128 1HB LEU 128 9.612 -5.259 1.108 954 2HB LEU 128 2HB LEU 128 9.576 -6.167 2.620 955 HG LEU 128 HG LEU 128 10.406 -7.264 -0.083 956 1HD1 LEU 128 1HD1 LEU 128 11.916 -5.638 1.368 957 2HD1 LEU 128 2HD1 LEU 128 12.181 -7.095 2.327 958 3HD1 LEU 128 3HD1 LEU 128 12.613 -7.074 0.617 959 1HD2 LEU 128 1HD2 LEU 128 9.226 -8.733 1.803 960 2HD2 LEU 128 2HD2 LEU 128 10.612 -9.352 0.903 961 3HD2 LEU 128 3HD2 LEU 128 10.837 -8.682 2.519 962 H ARG 129 H ARG 129 6.365 -5.410 2.590 963 HA ARG 129 HA ARG 129 6.419 -7.210 4.917 964 1HB ARG 129 1HB ARG 129 5.496 -4.481 4.333 965 2HB ARG 129 2HB ARG 129 4.399 -5.385 5.377 966 1HG ARG 129 1HG ARG 129 7.384 -5.162 5.850 967 2HG ARG 129 2HG ARG 129 6.180 -4.141 6.638 968 1HD ARG 129 1HD ARG 129 5.097 -6.141 7.589 969 2HD ARG 129 2HD ARG 129 6.295 -7.167 6.800 970 HE ARG 129 HE ARG 129 7.568 -5.174 8.463 971 1HH1 ARG 129 1HH2 ARG 129 5.673 -6.208 10.436 972 2HH1 ARG 129 2HH2 ARG 129 6.454 -7.633 11.038 973 1HH2 ARG 129 1HH1 ARG 129 8.675 -7.858 8.384 974 2HH2 ARG 129 2HH1 ARG 129 8.153 -8.566 9.877 975 H VAL 130 H VAL 130 4.241 -6.392 2.257 976 HA VAL 130 HA VAL 130 2.006 -7.906 3.340 977 HB VAL 130 HB VAL 130 1.007 -7.583 1.108 978 1HG1 VAL 130 1HG1 VAL 130 1.848 -5.555 2.911 979 2HG1 VAL 130 2HG1 VAL 130 2.049 -4.913 1.281 980 3HG1 VAL 130 3HG1 VAL 130 0.474 -5.512 1.804 981 1HG2 VAL 130 1HG2 VAL 130 3.812 -6.681 0.456 982 2HG2 VAL 130 2HG2 VAL 130 2.815 -7.863 -0.393 983 3HG2 VAL 130 3HG2 VAL 130 2.429 -6.145 -0.499 984 H ILE 131 H ILE 131 4.693 -8.583 1.149 985 HA ILE 131 HA ILE 131 3.752 -11.082 0.139 986 HB ILE 131 HB ILE 131 5.685 -9.982 -0.857 987 1HG1 ILE 131 1HG1 ILE 131 6.304 -12.626 0.490 988 2HG1 ILE 131 2HG1 ILE 131 5.671 -12.377 -1.138 989 1HG2 ILE 131 1HG2 ILE 131 6.529 -8.956 1.249 990 2HG2 ILE 131 2HG2 ILE 131 7.084 -10.543 1.777 991 3HG2 ILE 131 3HG2 ILE 131 7.804 -9.784 0.357 992 1HD1 ILE 131 1HD1 ILE 131 8.385 -11.423 -0.178 993 2HD1 ILE 131 2HD1 ILE 131 8.114 -12.879 -1.136 994 3HD1 ILE 131 3HD1 ILE 131 7.753 -11.293 -1.820 995 H GLU 132 H GLU 132 5.712 -10.306 3.026 996 HA GLU 132 HA GLU 132 6.320 -12.842 3.966 997 1HB GLU 132 1HB GLU 132 5.300 -10.466 5.551 998 2HB GLU 132 2HB GLU 132 6.020 -11.901 6.281 999 1HG GLU 132 1HG GLU 132 7.395 -10.140 4.230 1000 2HG GLU 132 2HG GLU 132 7.671 -10.056 5.970 1001 H LEU 133 H LEU 133 3.180 -11.231 3.991 1002 HA LEU 133 HA LEU 133 1.810 -13.144 5.632 1003 1HB LEU 133 1HB LEU 133 0.937 -11.136 3.561 1004 2HB LEU 133 2HB LEU 133 -0.227 -12.262 4.258 1005 HG LEU 133 HG LEU 133 0.887 -11.444 6.535 1006 1HD1 LEU 133 1HD1 LEU 133 1.566 -9.361 4.484 1007 2HD1 LEU 133 2HD1 LEU 133 1.155 -8.849 6.121 1008 3HD1 LEU 133 3HD1 LEU 133 2.523 -9.931 5.852 1009 1HD2 LEU 133 1HD2 LEU 133 -1.245 -10.143 4.847 1010 2HD2 LEU 133 2HD2 LEU 133 -1.436 -11.165 6.272 1011 3HD2 LEU 133 3HD2 LEU 133 -0.858 -9.508 6.447 1012 H THR 134 H THR 134 1.878 -12.785 2.069 1013 HA THR 134 HA THR 134 0.447 -15.086 1.380 1014 HB THR 134 HB THR 134 1.873 -15.104 -0.707 1015 HG1 THR 134 HG1 THR 134 3.763 -14.337 0.437 1016 1HG2 THR 134 1HG2 THR 134 0.269 -12.901 0.365 1017 2HG2 THR 134 2HG2 THR 134 1.380 -12.391 -0.905 1018 3HG2 THR 134 3HG2 THR 134 0.206 -13.668 -1.222 1019 H LYS 135 H LYS 135 3.722 -14.814 2.607 1020 HA LYS 135 HA LYS 135 4.609 -17.453 1.902 1021 1HB LYS 135 1HB LYS 135 5.423 -15.571 4.135 1022 2HB LYS 135 2HB LYS 135 6.239 -17.101 3.811 1023 1HG LYS 135 1HG LYS 135 5.825 -15.133 1.577 1024 2HG LYS 135 2HG LYS 135 7.156 -14.903 2.711 1025 1HD LYS 135 1HD LYS 135 7.182 -17.643 2.014 1026 2HD LYS 135 2HD LYS 135 6.964 -16.753 0.507 1027 1HE LYS 135 1HE LYS 135 9.114 -16.096 0.536 1028 2HE LYS 135 2HE LYS 135 8.914 -15.405 2.146 1029 1HZ LYS 135 1HZ LYS 135 8.963 -18.057 2.636 1030 2HZ LYS 135 2HZ LYS 135 10.067 -17.921 1.357 1031 3HZ LYS 135 3HZ LYS 135 10.299 -17.017 2.776 1032 H LYS 136 H LYS 136 3.349 -16.191 5.014 1033 HA LYS 136 HA LYS 136 2.942 -18.958 5.958 1034 1HB LYS 136 1HB LYS 136 2.508 -16.249 7.243 1035 2HB LYS 136 2HB LYS 136 2.115 -17.773 8.040 1036 1HG LYS 136 1HG LYS 136 4.856 -17.230 6.888 1037 2HG LYS 136 2HG LYS 136 4.431 -16.787 8.542 1038 1HD LYS 136 1HD LYS 136 3.911 -19.091 9.090 1039 2HD LYS 136 2HD LYS 136 4.130 -19.581 7.410 1040 1HE LYS 136 1HE LYS 136 6.396 -19.619 7.586 1041 2HE LYS 136 2HE LYS 136 6.436 -18.151 8.563 1042 1HZ LYS 136 1HZ LYS 136 5.213 -20.167 10.063 1043 2HZ LYS 136 2HZ LYS 136 6.644 -20.809 9.416 1044 3HZ LYS 136 3HZ LYS 136 6.697 -19.394 10.356 1045 H ALA 137 H ALA 137 1.325 -17.596 3.720 1046 HA ALA 137 HA ALA 137 -1.361 -18.136 4.924 1047 1HB ALA 137 1HB ALA 137 -0.695 -15.698 4.124 1048 2HB ALA 137 2HB ALA 137 -1.058 -16.358 2.530 1049 3HB ALA 137 3HB ALA 137 -2.300 -16.344 3.782 1050 H MET 138 H MET 138 0.223 -20.169 3.771 1051 HA MET 138 HA MET 138 -0.330 -20.580 0.985 1052 1HB MET 138 1HB MET 138 1.199 -21.869 2.868 1053 2HB MET 138 2HB MET 138 -0.132 -23.006 2.651 1054 1HG MET 138 1HG MET 138 1.296 -21.788 0.288 1055 2HG MET 138 2HG MET 138 1.892 -23.251 1.069 1056 1HE MET 138 1HE MET 138 1.832 -24.720 -0.692 1057 2HE MET 138 2HE MET 138 0.969 -25.645 0.534 1058 3HE MET 138 3HE MET 138 0.416 -25.665 -1.146 Start of MODEL 21 1 1H ALA 1 1H ALA 1 -24.291 0.261 4.764 2 2H ALA 1 2H ALA 1 -25.969 0.186 4.524 3 3H ALA 1 3H ALA 1 -25.044 1.347 3.697 4 HA ALA 1 HA ALA 1 -25.919 2.631 5.358 5 1HB ALA 1 1HB ALA 1 -27.068 0.739 6.469 6 2HB ALA 1 2HB ALA 1 -25.541 0.256 7.209 7 3HB ALA 1 3HB ALA 1 -26.284 1.795 7.644 8 H MET 2 H MET 2 -23.682 0.550 7.197 9 HA MET 2 HA MET 2 -21.782 2.862 7.247 10 1HB MET 2 1HB MET 2 -22.222 0.700 9.330 11 2HB MET 2 2HB MET 2 -21.039 2.004 9.445 12 1HG MET 2 1HG MET 2 -22.645 3.268 10.393 13 2HG MET 2 2HG MET 2 -23.470 3.273 8.835 14 1HE MET 2 1HE MET 2 -24.123 3.397 11.948 15 2HE MET 2 2HE MET 2 -25.644 3.573 11.075 16 3HE MET 2 3HE MET 2 -25.502 2.361 12.344 17 H THR 3 H THR 3 -21.728 0.944 5.152 18 HA THR 3 HA THR 3 -19.308 -0.686 5.844 19 HB THR 3 HB THR 3 -20.626 -1.234 3.269 20 HG1 THR 3 HG1 THR 3 -22.564 -1.551 3.973 21 1HG2 THR 3 1HG2 THR 3 -19.321 -2.617 5.504 22 2HG2 THR 3 2HG2 THR 3 -20.675 -3.511 4.810 23 3HG2 THR 3 3HG2 THR 3 -19.329 -3.014 3.785 24 H TYR 4 H TYR 4 -18.825 -1.032 2.902 25 HA TYR 4 HA TYR 4 -17.692 1.698 2.457 26 1HB TYR 4 1HB TYR 4 -16.461 -0.868 2.837 27 2HB TYR 4 2HB TYR 4 -15.969 -0.115 1.342 28 HD1 TYR 4 HD1 TYR 4 -16.372 0.498 4.940 29 HD2 TYR 4 HD2 TYR 4 -14.435 1.527 1.284 30 HE1 TYR 4 HE1 TYR 4 -14.799 1.851 6.192 31 HE2 TYR 4 HE2 TYR 4 -12.804 2.877 2.471 32 HH TYR 4 HH TYR 4 -12.970 4.193 4.949 33 H HIS 5 H HIS 5 -16.467 1.721 0.529 34 HA HIS 5 HA HIS 5 -17.235 0.251 -1.846 35 1HB HIS 5 1HB HIS 5 -18.965 2.071 -1.803 36 2HB HIS 5 2HB HIS 5 -17.672 3.262 -1.674 37 HD1 HIS 5 HD1 HIS 5 -15.680 2.534 -3.739 38 HD2 HIS 5 HD2 HIS 5 -19.753 2.036 -4.433 39 HE1 HIS 5 HE1 HIS 5 -15.947 2.370 -6.230 40 H LEU 6 H LEU 6 -14.939 -0.276 -1.646 41 HA LEU 6 HA LEU 6 -13.047 1.942 -1.453 42 1HB LEU 6 1HB LEU 6 -13.041 -0.830 -0.826 43 2HB LEU 6 2HB LEU 6 -11.812 -0.585 -2.053 44 HG LEU 6 HG LEU 6 -10.566 -0.132 -0.175 45 1HD1 LEU 6 1HD1 LEU 6 -10.957 1.986 -1.661 46 2HD1 LEU 6 2HD1 LEU 6 -11.799 2.586 -0.236 47 3HD1 LEU 6 3HD1 LEU 6 -10.094 2.141 -0.128 48 1HD2 LEU 6 1HD2 LEU 6 -13.179 0.243 1.005 49 2HD2 LEU 6 2HD2 LEU 6 -11.676 -0.264 1.770 50 3HD2 LEU 6 3HD2 LEU 6 -12.035 1.451 1.584 51 H ASP 7 H ASP 7 -12.167 2.820 -3.415 52 HA ASP 7 HA ASP 7 -12.191 1.017 -5.796 53 1HB ASP 7 1HB ASP 7 -14.070 2.821 -5.716 54 2HB ASP 7 2HB ASP 7 -12.773 3.966 -6.053 55 H VAL 8 H VAL 8 -9.880 0.818 -5.057 56 HA VAL 8 HA VAL 8 -8.268 3.193 -5.889 57 HB VAL 8 HB VAL 8 -7.669 2.682 -3.655 58 1HG1 VAL 8 1HG1 VAL 8 -7.681 -0.227 -4.504 59 2HG1 VAL 8 2HG1 VAL 8 -7.201 0.351 -2.912 60 3HG1 VAL 8 3HG1 VAL 8 -8.864 0.558 -3.462 61 1HG2 VAL 8 1HG2 VAL 8 -5.821 2.406 -5.670 62 2HG2 VAL 8 2HG2 VAL 8 -5.423 2.450 -3.953 63 3HG2 VAL 8 3HG2 VAL 8 -5.599 0.902 -4.777 64 H VAL 9 H VAL 9 -6.568 2.847 -7.401 65 HA VAL 9 HA VAL 9 -6.209 0.128 -8.499 66 HB VAL 9 HB VAL 9 -6.755 0.777 -10.777 67 1HG1 VAL 9 1HG1 VAL 9 -8.910 1.627 -8.818 68 2HG1 VAL 9 2HG1 VAL 9 -9.183 1.231 -10.515 69 3HG1 VAL 9 3HG1 VAL 9 -8.624 -0.014 -9.398 70 1HG2 VAL 9 1HG2 VAL 9 -6.347 3.393 -9.750 71 2HG2 VAL 9 2HG2 VAL 9 -6.710 2.938 -11.415 72 3HG2 VAL 9 3HG2 VAL 9 -8.020 3.319 -10.299 73 H SER 10 H SER 10 -4.303 -0.004 -9.879 74 HA SER 10 HA SER 10 -2.637 2.282 -10.419 75 1HB SER 10 1HB SER 10 -0.826 1.142 -8.735 76 2HB SER 10 2HB SER 10 -1.836 2.516 -8.294 77 HG SER 10 HG SER 10 -2.608 1.237 -6.823 78 H ALA 11 H ALA 11 -0.618 1.613 -11.473 79 HA ALA 11 HA ALA 11 0.613 0.203 -12.889 80 1HB ALA 11 1HB ALA 11 -0.466 -1.859 -10.946 81 2HB ALA 11 2HB ALA 11 0.724 -2.217 -12.197 82 3HB ALA 11 3HB ALA 11 1.119 -1.087 -10.902 83 H GLU 12 H GLU 12 -1.749 -2.325 -12.252 84 HA GLU 12 HA GLU 12 -2.499 -2.256 -15.109 85 1HB GLU 12 1HB GLU 12 -2.344 -4.277 -13.053 86 2HB GLU 12 2HB GLU 12 -3.959 -4.268 -13.762 87 1HG GLU 12 1HG GLU 12 -1.894 -3.974 -15.796 88 2HG GLU 12 2HG GLU 12 -1.685 -5.457 -14.864 89 H GLN 13 H GLN 13 -3.412 -0.263 -12.997 90 HA GLN 13 HA GLN 13 -5.407 0.806 -12.343 91 1HB GLN 13 1HB GLN 13 -5.929 -0.168 -15.150 92 2HB GLN 13 2HB GLN 13 -7.126 0.782 -14.272 93 1HG GLN 13 1HG GLN 13 -4.761 2.178 -13.852 94 2HG GLN 13 2HG GLN 13 -4.634 1.648 -15.530 95 1HE2 GLN 13 2HE2 GLN 13 -7.507 2.627 -13.577 96 2HE2 GLN 13 1HE2 GLN 13 -8.006 3.842 -14.653 97 H GLN 14 H GLN 14 -5.712 -0.981 -10.686 98 HA GLN 14 HA GLN 14 -8.344 -1.798 -10.433 99 1HB GLN 14 1HB GLN 14 -8.310 -3.153 -12.384 100 2HB GLN 14 2HB GLN 14 -6.718 -3.806 -12.002 101 1HG GLN 14 1HG GLN 14 -7.551 -5.290 -10.441 102 2HG GLN 14 2HG GLN 14 -8.912 -4.250 -10.023 103 1HE2 GLN 14 2HE2 GLN 14 -8.670 -7.193 -11.071 104 2HE2 GLN 14 1HE2 GLN 14 -9.801 -7.241 -12.337 105 H MET 15 H MET 15 -7.962 -1.595 -8.233 106 HA MET 15 HA MET 15 -6.152 -3.654 -7.039 107 1HB MET 15 1HB MET 15 -5.982 -0.821 -6.799 108 2HB MET 15 2HB MET 15 -6.517 -1.453 -5.241 109 1HG MET 15 1HG MET 15 -4.645 -2.997 -5.160 110 2HG MET 15 2HG MET 15 -4.145 -2.531 -6.786 111 1HE MET 15 1HE MET 15 -2.076 -2.505 -5.894 112 2HE MET 15 2HE MET 15 -1.276 -0.962 -5.608 113 3HE MET 15 3HE MET 15 -1.752 -1.982 -4.244 114 H PHE 16 H PHE 16 -8.548 -1.350 -5.691 115 HA PHE 16 HA PHE 16 -10.061 -3.740 -4.736 116 1HB PHE 16 1HB PHE 16 -8.785 -2.624 -2.866 117 2HB PHE 16 2HB PHE 16 -9.738 -1.169 -3.158 118 HD1 PHE 16 HD1 PHE 16 -11.749 -3.910 -4.011 119 HD2 PHE 16 HD2 PHE 16 -10.265 -1.832 -0.546 120 HE1 PHE 16 HE1 PHE 16 -13.555 -4.883 -2.642 121 HE2 PHE 16 HE2 PHE 16 -12.080 -2.780 0.788 122 HZ PHE 16 HZ PHE 16 -13.715 -4.334 -0.239 123 H SER 17 H SER 17 -11.987 -3.705 -5.804 124 HA SER 17 HA SER 17 -13.425 -1.116 -5.851 125 1HB SER 17 1HB SER 17 -14.219 -1.548 -8.133 126 2HB SER 17 2HB SER 17 -12.461 -1.492 -8.101 127 HG SER 17 HG SER 17 -12.836 -3.925 -7.673 128 H GLY 18 H GLY 18 -14.620 -1.953 -4.045 129 1HA GLY 18 1HA GLY 18 -17.029 -3.344 -4.762 130 2HA GLY 18 2HA GLY 18 -15.941 -4.441 -3.909 131 H LEU 19 H LEU 19 -17.638 -4.435 -2.194 132 HA LEU 19 HA LEU 19 -17.866 -1.911 -0.652 133 1HB LEU 19 1HB LEU 19 -19.105 -4.568 0.084 134 2HB LEU 19 2HB LEU 19 -19.648 -2.947 0.522 135 HG LEU 19 HG LEU 19 -19.720 -4.206 -2.233 136 1HD1 LEU 19 1HD1 LEU 19 -21.716 -3.589 -0.095 137 2HD1 LEU 19 2HD1 LEU 19 -22.219 -3.386 -1.773 138 3HD1 LEU 19 3HD1 LEU 19 -21.651 -4.957 -1.208 139 1HD2 LEU 19 1HD2 LEU 19 -20.260 -1.377 -1.295 140 2HD2 LEU 19 2HD2 LEU 19 -19.122 -1.899 -2.538 141 3HD2 LEU 19 3HD2 LEU 19 -20.858 -2.006 -2.830 142 H VAL 20 H VAL 20 -17.396 -1.962 1.719 143 HA VAL 20 HA VAL 20 -15.725 -4.200 2.664 144 HB VAL 20 HB VAL 20 -13.663 -3.328 2.395 145 1HG1 VAL 20 1HG1 VAL 20 -15.164 -1.271 0.786 146 2HG1 VAL 20 2HG1 VAL 20 -13.440 -1.546 0.697 147 3HG1 VAL 20 3HG1 VAL 20 -14.567 -2.804 0.213 148 1HG2 VAL 20 1HG2 VAL 20 -14.816 -1.034 3.838 149 2HG2 VAL 20 2HG2 VAL 20 -13.190 -1.719 3.919 150 3HG2 VAL 20 3HG2 VAL 20 -13.587 -0.547 2.654 151 H GLU 21 H GLU 21 -14.526 -3.051 4.862 152 HA GLU 21 HA GLU 21 -16.505 -1.428 6.299 153 1HB GLU 21 1HB GLU 21 -17.147 -3.980 6.399 154 2HB GLU 21 2HB GLU 21 -15.821 -4.075 7.557 155 1HG GLU 21 1HG GLU 21 -17.259 -1.799 8.324 156 2HG GLU 21 2HG GLU 21 -18.495 -2.989 7.915 157 H LYS 22 H LYS 22 -13.447 -3.222 6.302 158 HA LYS 22 HA LYS 22 -12.370 -1.088 8.064 159 1HB LYS 22 1HB LYS 22 -12.490 -4.014 8.668 160 2HB LYS 22 2HB LYS 22 -11.049 -3.123 9.162 161 1HG LYS 22 1HG LYS 22 -13.793 -2.047 9.776 162 2HG LYS 22 2HG LYS 22 -13.047 -3.253 10.826 163 1HD LYS 22 1HD LYS 22 -10.970 -1.646 10.728 164 2HD LYS 22 2HD LYS 22 -12.167 -0.439 10.256 165 1HE LYS 22 1HE LYS 22 -12.893 -2.136 12.578 166 2HE LYS 22 2HE LYS 22 -11.572 -0.996 12.840 167 1HZ LYS 22 1HZ LYS 22 -13.268 0.577 11.581 168 2HZ LYS 22 2HZ LYS 22 -14.387 -0.485 12.285 169 3HZ LYS 22 3HZ LYS 22 -13.296 0.374 13.267 170 H ILE 23 H ILE 23 -11.247 -0.337 6.166 171 HA ILE 23 HA ILE 23 -9.210 -2.205 5.032 172 HB ILE 23 HB ILE 23 -10.119 -1.195 3.172 173 1HG1 ILE 23 1HG1 ILE 23 -8.142 0.914 4.093 174 2HG1 ILE 23 2HG1 ILE 23 -7.763 -0.523 3.147 175 1HG2 ILE 23 1HG2 ILE 23 -11.779 0.102 4.431 176 2HG2 ILE 23 2HG2 ILE 23 -10.554 1.314 4.801 177 3HG2 ILE 23 3HG2 ILE 23 -11.075 1.069 3.136 178 1HD1 ILE 23 1HD1 ILE 23 -9.306 0.295 1.360 179 2HD1 ILE 23 2HD1 ILE 23 -9.540 1.777 2.287 180 3HD1 ILE 23 3HD1 ILE 23 -7.946 1.383 1.642 181 H GLN 24 H GLN 24 -7.011 -1.815 5.411 182 HA GLN 24 HA GLN 24 -6.397 0.540 7.153 183 1HB GLN 24 1HB GLN 24 -5.885 -2.322 7.520 184 2HB GLN 24 2HB GLN 24 -4.439 -1.332 7.714 185 1HG GLN 24 1HG GLN 24 -5.978 0.190 9.179 186 2HG GLN 24 2HG GLN 24 -7.012 -1.236 9.269 187 1HE2 GLN 24 2HE2 GLN 24 -4.667 -3.108 9.117 188 2HE2 GLN 24 1HE2 GLN 24 -3.926 -3.031 10.642 189 H VAL 25 H VAL 25 -4.050 1.159 7.074 190 HA VAL 25 HA VAL 25 -2.373 0.321 4.885 191 HB VAL 25 HB VAL 25 -4.143 1.602 3.642 192 1HG1 VAL 25 1HG1 VAL 25 -3.866 3.360 5.814 193 2HG1 VAL 25 2HG1 VAL 25 -3.175 4.220 4.439 194 3HG1 VAL 25 3HG1 VAL 25 -4.834 3.624 4.363 195 1HG2 VAL 25 1HG2 VAL 25 -1.680 1.438 2.968 196 2HG2 VAL 25 2HG2 VAL 25 -2.579 2.789 2.275 197 3HG2 VAL 25 3HG2 VAL 25 -1.491 3.059 3.637 198 H THR 26 H THR 26 -0.325 1.499 4.933 199 HA THR 26 HA THR 26 0.177 3.770 6.570 200 HB THR 26 HB THR 26 -0.411 2.429 8.482 201 HG1 THR 26 HG1 THR 26 1.895 2.081 9.304 202 1HG2 THR 26 1HG2 THR 26 -0.113 0.243 7.220 203 2HG2 THR 26 2HG2 THR 26 1.610 0.374 7.571 204 3HG2 THR 26 3HG2 THR 26 0.450 0.233 8.891 205 H GLY 27 H GLY 27 2.459 4.268 6.679 206 1HA GLY 27 1HA GLY 27 4.604 2.618 5.963 207 2HA GLY 27 2HA GLY 27 3.967 3.246 4.440 208 H SER 28 H SER 28 4.102 5.513 4.033 209 HA SER 28 HA SER 28 5.699 7.080 6.009 210 1HB SER 28 1HB SER 28 6.451 7.958 3.430 211 2HB SER 28 2HB SER 28 7.453 7.102 4.597 212 HG SER 28 HG SER 28 7.332 5.433 3.341 213 H GLU 29 H GLU 29 5.432 9.435 5.724 214 HA GLU 29 HA GLU 29 4.073 11.324 5.418 215 1HB GLU 29 1HB GLU 29 3.073 9.897 2.940 216 2HB GLU 29 2HB GLU 29 3.116 11.636 3.236 217 1HG GLU 29 1HG GLU 29 5.516 9.805 2.934 218 2HG GLU 29 2HG GLU 29 4.978 11.026 1.781 219 H GLY 30 H GLY 30 2.875 10.378 7.335 220 1HA GLY 30 1HA GLY 30 0.643 10.390 8.223 221 2HA GLY 30 2HA GLY 30 0.025 10.046 6.606 222 H GLU 31 H GLU 31 -0.290 8.648 9.325 223 HA GLU 31 HA GLU 31 0.267 5.915 8.267 224 1HB GLU 31 1HB GLU 31 1.266 7.149 10.772 225 2HB GLU 31 2HB GLU 31 0.616 5.517 10.930 226 1HG GLU 31 1HG GLU 31 2.261 4.584 9.617 227 2HG GLU 31 2HG GLU 31 2.451 6.038 8.636 228 H LEU 32 H LEU 32 -2.210 6.883 7.952 229 HA LEU 32 HA LEU 32 -3.758 5.825 10.285 230 1HB LEU 32 1HB LEU 32 -4.137 8.166 8.538 231 2HB LEU 32 2HB LEU 32 -5.595 7.186 8.747 232 HG LEU 32 HG LEU 32 -3.863 8.179 11.035 233 1HD1 LEU 32 1HD1 LEU 32 -5.239 9.875 9.552 234 2HD1 LEU 32 2HD1 LEU 32 -6.617 9.205 10.425 235 3HD1 LEU 32 3HD1 LEU 32 -5.307 9.985 11.311 236 1HD2 LEU 32 1HD2 LEU 32 -6.227 6.415 10.761 237 2HD2 LEU 32 2HD2 LEU 32 -5.011 6.475 12.037 238 3HD2 LEU 32 3HD2 LEU 32 -6.344 7.631 12.034 239 H GLY 33 H GLY 33 -5.681 4.588 9.754 240 1HA GLY 33 1HA GLY 33 -5.351 3.079 7.210 241 2HA GLY 33 2HA GLY 33 -6.260 2.521 8.619 242 H ILE 34 H ILE 34 -7.610 2.412 6.244 243 HA ILE 34 HA ILE 34 -9.213 4.915 6.141 244 HB ILE 34 HB ILE 34 -8.920 2.582 4.245 245 1HG1 ILE 34 1HG1 ILE 34 -7.307 4.498 4.187 246 2HG1 ILE 34 2HG1 ILE 34 -8.253 4.355 2.703 247 1HG2 ILE 34 1HG2 ILE 34 -11.170 4.504 4.575 248 2HG2 ILE 34 2HG2 ILE 34 -10.606 4.219 2.929 249 3HG2 ILE 34 3HG2 ILE 34 -11.178 2.872 3.909 250 1HD1 ILE 34 1HD1 ILE 34 -9.910 5.993 3.861 251 2HD1 ILE 34 2HD1 ILE 34 -8.560 6.350 4.944 252 3HD1 ILE 34 3HD1 ILE 34 -8.406 6.650 3.211 253 H TYR 35 H TYR 35 -11.156 4.977 7.089 254 HA TYR 35 HA TYR 35 -12.571 2.413 7.666 255 1HB TYR 35 1HB TYR 35 -13.232 3.746 9.868 256 2HB TYR 35 2HB TYR 35 -11.727 2.839 9.798 257 HD1 TYR 35 HD1 TYR 35 -9.630 4.216 8.868 258 HD2 TYR 35 HD2 TYR 35 -13.203 5.968 10.499 259 HE1 TYR 35 HE1 TYR 35 -8.393 6.311 9.337 260 HE2 TYR 35 HE2 TYR 35 -11.960 8.059 10.969 261 HH TYR 35 HH TYR 35 -10.044 9.200 10.509 262 HA PRO 36 HA PRO 36 -16.164 4.524 6.316 263 1HB PRO 36 1HB PRO 36 -18.064 3.872 8.210 264 2HB PRO 36 2HB PRO 36 -17.500 2.761 6.950 265 1HG PRO 36 1HG PRO 36 -16.800 2.821 9.857 266 2HG PRO 36 2HG PRO 36 -16.888 1.438 8.752 267 1HD PRO 36 1HD PRO 36 -14.520 2.657 9.572 268 2HD PRO 36 2HD PRO 36 -14.682 1.658 8.116 269 H GLY 37 H GLY 37 -15.311 6.643 6.660 270 1HA GLY 37 1HA GLY 37 -16.436 8.751 7.547 271 2HA GLY 37 2HA GLY 37 -16.271 8.008 9.140 272 H HIS 38 H HIS 38 -13.691 7.421 6.916 273 HA HIS 38 HA HIS 38 -11.713 8.545 8.619 274 1HB HIS 38 1HB HIS 38 -11.017 6.888 7.049 275 2HB HIS 38 2HB HIS 38 -11.688 7.786 5.689 276 HD1 HIS 38 HD1 HIS 38 -9.628 8.402 4.372 277 HD2 HIS 38 HD2 HIS 38 -9.205 9.256 8.430 278 HE1 HIS 38 HE1 HIS 38 -7.442 9.657 4.616 279 H ALA 39 H ALA 39 -10.579 10.524 8.503 280 HA ALA 39 HA ALA 39 -11.910 12.886 8.079 281 1HB ALA 39 1HB ALA 39 -9.258 12.187 8.582 282 2HB ALA 39 2HB ALA 39 -9.170 13.145 7.103 283 3HB ALA 39 3HB ALA 39 -9.910 13.825 8.553 284 HA PRO 40 HA PRO 40 -12.565 13.217 3.746 285 1HB PRO 40 1HB PRO 40 -13.118 15.907 3.667 286 2HB PRO 40 2HB PRO 40 -14.255 14.689 4.273 287 1HG PRO 40 1HG PRO 40 -12.622 16.659 5.804 288 2HG PRO 40 2HG PRO 40 -14.153 15.885 6.246 289 1HD PRO 40 1HD PRO 40 -11.581 15.158 7.195 290 2HD PRO 40 2HD PRO 40 -13.075 14.217 7.388 291 H LEU 41 H LEU 41 -10.015 12.876 3.653 292 HA LEU 41 HA LEU 41 -8.570 15.366 2.968 293 1HB LEU 41 1HB LEU 41 -7.561 12.508 2.880 294 2HB LEU 41 2HB LEU 41 -6.590 13.980 2.883 295 HG LEU 41 HG LEU 41 -8.371 12.998 5.131 296 1HD1 LEU 41 1HD1 LEU 41 -5.565 12.646 4.455 297 2HD1 LEU 41 2HD1 LEU 41 -5.748 13.455 6.013 298 3HD1 LEU 41 3HD1 LEU 41 -6.506 11.886 5.739 299 1HD2 LEU 41 1HD2 LEU 41 -6.815 15.560 4.718 300 2HD2 LEU 41 2HD2 LEU 41 -8.515 15.377 5.150 301 3HD2 LEU 41 3HD2 LEU 41 -7.260 14.986 6.325 302 H LEU 42 H LEU 42 -8.418 16.054 0.879 303 HA LEU 42 HA LEU 42 -9.125 14.089 -1.260 304 1HB LEU 42 1HB LEU 42 -10.010 15.904 -2.549 305 2HB LEU 42 2HB LEU 42 -10.645 16.106 -0.916 306 HG LEU 42 HG LEU 42 -8.088 17.434 -1.138 307 1HD1 LEU 42 1HD1 LEU 42 -9.674 17.521 -3.520 308 2HD1 LEU 42 2HD1 LEU 42 -9.741 19.107 -2.752 309 3HD1 LEU 42 3HD1 LEU 42 -8.183 18.393 -3.169 310 1HD2 LEU 42 1HD2 LEU 42 -10.949 18.227 -0.571 311 2HD2 LEU 42 2HD2 LEU 42 -9.612 18.079 0.567 312 3HD2 LEU 42 3HD2 LEU 42 -9.646 19.415 -0.583 313 H THR 43 H THR 43 -6.454 14.746 0.003 314 HA THR 43 HA THR 43 -5.045 15.809 -2.401 315 HB THR 43 HB THR 43 -3.073 15.864 -0.715 316 HG1 THR 43 HG1 THR 43 -5.046 16.048 1.235 317 1HG2 THR 43 1HG2 THR 43 -4.545 17.801 -1.553 318 2HG2 THR 43 2HG2 THR 43 -5.400 17.654 -0.017 319 3HG2 THR 43 3HG2 THR 43 -3.681 18.053 -0.037 320 H ALA 44 H ALA 44 -3.481 13.802 0.004 321 HA ALA 44 HA ALA 44 -3.392 11.559 -1.968 322 1HB ALA 44 1HB ALA 44 -1.117 12.854 -0.457 323 2HB ALA 44 2HB ALA 44 -0.993 11.214 -1.096 324 3HB ALA 44 3HB ALA 44 -1.253 12.572 -2.193 325 H ILE 45 H ILE 45 -2.505 9.506 -0.765 326 HA ILE 45 HA ILE 45 -3.750 9.455 1.956 327 HB ILE 45 HB ILE 45 -3.441 6.907 0.459 328 1HG1 ILE 45 1HG1 ILE 45 -4.209 8.367 -1.348 329 2HG1 ILE 45 2HG1 ILE 45 -5.548 7.347 -0.818 330 1HG2 ILE 45 1HG2 ILE 45 -4.695 7.727 2.761 331 2HG2 ILE 45 2HG2 ILE 45 -6.029 7.727 1.608 332 3HG2 ILE 45 3HG2 ILE 45 -5.094 6.255 1.875 333 1HD1 ILE 45 1HD1 ILE 45 -5.387 9.816 0.727 334 2HD1 ILE 45 2HD1 ILE 45 -5.580 10.130 -0.998 335 3HD1 ILE 45 3HD1 ILE 45 -6.758 9.130 -0.146 336 H LYS 46 H LYS 46 -2.736 6.668 2.285 337 HA LYS 46 HA LYS 46 0.149 7.328 2.706 338 1HB LYS 46 1HB LYS 46 -1.610 5.568 4.438 339 2HB LYS 46 2HB LYS 46 0.073 5.996 4.750 340 1HG LYS 46 1HG LYS 46 -0.791 7.708 5.965 341 2HG LYS 46 2HG LYS 46 -1.089 8.467 4.401 342 1HD LYS 46 1HD LYS 46 -3.343 7.588 4.333 343 2HD LYS 46 2HD LYS 46 -3.060 6.629 5.786 344 1HE LYS 46 1HE LYS 46 -4.271 8.617 6.443 345 2HE LYS 46 2HE LYS 46 -2.614 8.782 7.024 346 1HZ LYS 46 1HZ LYS 46 -2.990 9.775 4.357 347 2HZ LYS 46 2HZ LYS 46 -3.935 10.595 5.507 348 3HZ LYS 46 3HZ LYS 46 -2.247 10.512 5.691 349 HA PRO 47 HA PRO 47 0.587 3.676 0.170 350 1HB PRO 47 1HB PRO 47 3.327 3.807 0.017 351 2HB PRO 47 2HB PRO 47 2.244 4.814 -0.960 352 1HG PRO 47 1HG PRO 47 3.895 5.580 1.400 353 2HG PRO 47 2HG PRO 47 3.320 6.585 0.058 354 1HD PRO 47 1HD PRO 47 2.200 6.478 2.661 355 2HD PRO 47 2HD PRO 47 1.461 7.233 1.233 356 H GLY 48 H GLY 48 2.887 2.040 0.446 357 1HA GLY 48 1HA GLY 48 4.080 0.698 2.069 358 2HA GLY 48 2HA GLY 48 2.962 1.258 3.311 359 H MET 49 H MET 49 2.064 -0.643 4.036 360 HA MET 49 HA MET 49 1.023 -2.557 2.000 361 1HB MET 49 1HB MET 49 0.957 -4.195 3.777 362 2HB MET 49 2HB MET 49 2.529 -3.400 3.840 363 1HG MET 49 1HG MET 49 2.055 -3.054 6.031 364 2HG MET 49 2HG MET 49 0.998 -1.770 5.446 365 1HE MET 49 1HE MET 49 1.303 -5.349 5.212 366 2HE MET 49 2HE MET 49 0.398 -5.973 6.591 367 3HE MET 49 3HE MET 49 -0.366 -5.872 4.998 368 H ILE 50 H ILE 50 -1.097 -3.721 3.060 369 HA ILE 50 HA ILE 50 -2.860 -1.787 4.395 370 HB ILE 50 HB ILE 50 -3.205 -2.551 1.491 371 1HG1 ILE 50 1HG1 ILE 50 -3.170 0.064 3.024 372 2HG1 ILE 50 2HG1 ILE 50 -1.961 -0.504 1.874 373 1HG2 ILE 50 1HG2 ILE 50 -5.243 -2.272 3.523 374 2HG2 ILE 50 2HG2 ILE 50 -5.395 -0.983 2.330 375 3HG2 ILE 50 3HG2 ILE 50 -5.429 -2.669 1.816 376 1HD1 ILE 50 1HD1 ILE 50 -3.702 -0.497 0.090 377 2HD1 ILE 50 2HD1 ILE 50 -4.848 0.175 1.249 378 3HD1 ILE 50 3HD1 ILE 50 -3.429 1.106 0.772 379 H ARG 51 H ARG 51 -4.553 -2.816 5.418 380 HA ARG 51 HA ARG 51 -5.024 -5.698 4.778 381 1HB ARG 51 1HB ARG 51 -4.565 -4.420 7.485 382 2HB ARG 51 2HB ARG 51 -5.369 -5.980 7.307 383 1HG ARG 51 1HG ARG 51 -2.852 -5.720 5.786 384 2HG ARG 51 2HG ARG 51 -2.659 -5.668 7.539 385 1HD ARG 51 1HD ARG 51 -4.097 -7.754 7.656 386 2HD ARG 51 2HD ARG 51 -3.978 -7.846 5.899 387 HE ARG 51 HE ARG 51 -1.510 -8.101 6.192 388 1HH1 ARG 51 1HH2 ARG 51 -3.337 -10.162 7.781 389 2HH1 ARG 51 2HH2 ARG 51 -2.334 -10.386 9.174 390 1HH2 ARG 51 1HH1 ARG 51 -0.312 -7.656 8.485 391 2HH2 ARG 51 2HH1 ARG 51 -0.623 -8.964 9.576 392 H ILE 52 H ILE 52 -7.120 -5.719 4.049 393 HA ILE 52 HA ILE 52 -9.058 -3.929 5.443 394 HB ILE 52 HB ILE 52 -9.362 -5.015 2.662 395 1HG1 ILE 52 1HG1 ILE 52 -8.394 -2.246 3.326 396 2HG1 ILE 52 2HG1 ILE 52 -7.263 -3.575 3.072 397 1HG2 ILE 52 1HG2 ILE 52 -10.751 -2.960 4.347 398 2HG2 ILE 52 2HG2 ILE 52 -10.770 -2.812 2.590 399 3HG2 ILE 52 3HG2 ILE 52 -11.448 -4.243 3.360 400 1HD1 ILE 52 1HD1 ILE 52 -9.364 -3.384 1.020 401 2HD1 ILE 52 2HD1 ILE 52 -8.278 -1.994 1.067 402 3HD1 ILE 52 3HD1 ILE 52 -7.626 -3.616 0.834 403 H VAL 53 H VAL 53 -11.304 -4.704 5.448 404 HA VAL 53 HA VAL 53 -11.546 -7.673 5.455 405 HB VAL 53 HB VAL 53 -12.378 -5.722 7.620 406 1HG1 VAL 53 1HG1 VAL 53 -14.226 -7.317 6.998 407 2HG1 VAL 53 2HG1 VAL 53 -13.139 -8.647 7.400 408 3HG1 VAL 53 3HG1 VAL 53 -13.640 -7.508 8.650 409 1HG2 VAL 53 1HG2 VAL 53 -10.087 -7.187 7.327 410 2HG2 VAL 53 2HG2 VAL 53 -10.758 -6.714 8.887 411 3HG2 VAL 53 3HG2 VAL 53 -11.094 -8.317 8.232 412 H LYS 54 H LYS 54 -13.035 -8.050 3.884 413 HA LYS 54 HA LYS 54 -14.889 -6.086 2.925 414 1HB LYS 54 1HB LYS 54 -14.714 -9.085 2.588 415 2HB LYS 54 2HB LYS 54 -15.974 -8.123 1.816 416 1HG LYS 54 1HG LYS 54 -14.377 -6.865 0.560 417 2HG LYS 54 2HG LYS 54 -13.032 -7.489 1.516 418 1HD LYS 54 1HD LYS 54 -13.141 -9.610 0.523 419 2HD LYS 54 2HD LYS 54 -14.807 -9.380 -0.006 420 1HE LYS 54 1HE LYS 54 -12.848 -7.444 -1.096 421 2HE LYS 54 2HE LYS 54 -12.665 -9.107 -1.655 422 1HZ LYS 54 1HZ LYS 54 -15.396 -8.332 -1.619 423 2HZ LYS 54 2HZ LYS 54 -14.484 -7.253 -2.558 424 3HZ LYS 54 3HZ LYS 54 -14.461 -8.914 -2.913 425 H GLN 55 H GLN 55 -17.166 -5.967 3.225 426 HA GLN 55 HA GLN 55 -18.147 -6.275 5.840 427 1HB GLN 55 1HB GLN 55 -19.274 -4.908 4.127 428 2HB GLN 55 2HB GLN 55 -19.728 -6.370 3.253 429 1HG GLN 55 1HG GLN 55 -20.807 -7.101 5.511 430 2HG GLN 55 2HG GLN 55 -20.722 -5.386 5.919 431 1HE2 GLN 55 2HE2 GLN 55 -22.527 -4.207 5.290 432 2HE2 GLN 55 1HE2 GLN 55 -23.576 -4.626 4.022 433 H HIS 56 H HIS 56 -17.721 -8.325 6.732 434 HA HIS 56 HA HIS 56 -18.314 -10.538 7.275 435 1HB HIS 56 1HB HIS 56 -20.635 -9.646 6.499 436 2HB HIS 56 2HB HIS 56 -20.295 -10.518 5.004 437 HD1 HIS 56 HD1 HIS 56 -19.731 -13.153 5.324 438 HD2 HIS 56 HD2 HIS 56 -21.551 -11.265 8.565 439 HE1 HIS 56 HE1 HIS 56 -20.640 -14.993 6.809 440 H GLY 57 H GLY 57 -16.338 -11.419 6.565 441 1HA GLY 57 1HA GLY 57 -16.198 -13.431 4.737 442 2HA GLY 57 2HA GLY 57 -15.943 -12.015 3.715 443 H HIS 58 H HIS 58 -13.831 -13.590 3.672 444 HA HIS 58 HA HIS 58 -11.965 -13.366 5.831 445 1HB HIS 58 1HB HIS 58 -11.988 -14.714 3.454 446 2HB HIS 58 2HB HIS 58 -10.829 -13.433 3.101 447 HD1 HIS 58 HD1 HIS 58 -11.481 -15.694 6.119 448 HD2 HIS 58 HD2 HIS 58 -8.308 -14.266 3.824 449 HE1 HIS 58 HE1 HIS 58 -9.375 -16.690 7.111 450 H GLU 59 H GLU 59 -9.649 -12.266 4.764 451 HA GLU 59 HA GLU 59 -10.400 -9.426 4.219 452 1HB GLU 59 1HB GLU 59 -8.428 -8.808 5.703 453 2HB GLU 59 2HB GLU 59 -9.823 -9.477 6.551 454 1HG GLU 59 1HG GLU 59 -8.738 -11.729 6.465 455 2HG GLU 59 2HG GLU 59 -7.310 -10.973 5.756 456 H GLU 60 H GLU 60 -8.920 -8.296 2.883 457 HA GLU 60 HA GLU 60 -6.721 -9.964 1.728 458 1HB GLU 60 1HB GLU 60 -8.469 -9.841 0.067 459 2HB GLU 60 2HB GLU 60 -8.638 -8.103 0.303 460 1HG GLU 60 1HG GLU 60 -6.244 -7.849 -0.440 461 2HG GLU 60 2HG GLU 60 -6.252 -9.564 -0.856 462 H PHE 61 H PHE 61 -4.775 -8.914 1.516 463 HA PHE 61 HA PHE 61 -4.706 -6.090 2.481 464 1HB PHE 61 1HB PHE 61 -2.140 -6.807 2.709 465 2HB PHE 61 2HB PHE 61 -3.317 -7.168 3.971 466 HD1 PHE 61 HD1 PHE 61 -4.428 -9.445 4.010 467 HD2 PHE 61 HD2 PHE 61 -1.084 -8.534 1.478 468 HE1 PHE 61 HE1 PHE 61 -3.993 -11.869 3.716 469 HE2 PHE 61 HE2 PHE 61 -0.640 -10.961 1.187 470 HZ PHE 61 HZ PHE 61 -2.099 -12.627 2.304 471 H ILE 62 H ILE 62 -3.731 -4.532 1.230 472 HA ILE 62 HA ILE 62 -2.630 -5.435 -1.403 473 HB ILE 62 HB ILE 62 -4.131 -2.864 -0.818 474 1HG1 ILE 62 1HG1 ILE 62 -5.173 -5.055 -2.580 475 2HG1 ILE 62 2HG1 ILE 62 -5.351 -5.221 -0.833 476 1HG2 ILE 62 1HG2 ILE 62 -3.035 -4.121 -3.347 477 2HG2 ILE 62 2HG2 ILE 62 -4.190 -2.789 -3.350 478 3HG2 ILE 62 3HG2 ILE 62 -2.589 -2.566 -2.644 479 1HD1 ILE 62 1HD1 ILE 62 -6.407 -2.950 -0.777 480 2HD1 ILE 62 2HD1 ILE 62 -6.340 -2.918 -2.539 481 3HD1 ILE 62 3HD1 ILE 62 -7.333 -4.120 -1.716 482 H TYR 63 H TYR 63 -0.994 -3.937 -2.309 483 HA TYR 63 HA TYR 63 0.299 -2.175 -0.292 484 1HB TYR 63 1HB TYR 63 1.627 -4.092 0.014 485 2HB TYR 63 2HB TYR 63 1.520 -4.553 -1.684 486 HD1 TYR 63 HD1 TYR 63 2.684 -3.098 -3.417 487 HD2 TYR 63 HD2 TYR 63 3.414 -2.733 0.798 488 HE1 TYR 63 HE1 TYR 63 4.804 -1.910 -3.893 489 HE2 TYR 63 HE2 TYR 63 5.538 -1.540 0.324 490 HH TYR 63 HH TYR 63 6.425 -0.600 -2.955 491 H LEU 64 H LEU 64 1.584 -0.500 -1.264 492 HA LEU 64 HA LEU 64 2.139 -0.278 -4.046 493 1HB LEU 64 1HB LEU 64 0.387 1.136 -4.857 494 2HB LEU 64 2HB LEU 64 -0.416 -0.226 -4.073 495 HG LEU 64 HG LEU 64 0.088 2.496 -2.832 496 1HD1 LEU 64 1HD1 LEU 64 -1.951 1.600 -4.560 497 2HD1 LEU 64 2HD1 LEU 64 -2.660 1.593 -2.946 498 3HD1 LEU 64 3HD1 LEU 64 -1.953 3.074 -3.591 499 1HD2 LEU 64 1HD2 LEU 64 -0.898 -0.128 -1.761 500 2HD2 LEU 64 2HD2 LEU 64 0.143 1.070 -0.992 501 3HD2 LEU 64 3HD2 LEU 64 -1.591 1.363 -1.124 502 H SER 65 H SER 65 2.038 2.414 -4.493 503 HA SER 65 HA SER 65 3.219 3.678 -2.068 504 1HB SER 65 1HB SER 65 4.416 4.007 -4.823 505 2HB SER 65 2HB SER 65 5.110 4.480 -3.275 506 HG SER 65 HG SER 65 4.665 1.866 -4.286 507 H GLY 66 H GLY 66 3.796 6.145 -3.105 508 1HA GLY 66 1HA GLY 66 2.634 8.181 -3.414 509 2HA GLY 66 2HA GLY 66 2.165 7.413 -4.930 510 H GLY 67 H GLY 67 0.018 8.086 -5.036 511 1HA GLY 67 1HA GLY 67 -2.198 6.999 -4.421 512 2HA GLY 67 2HA GLY 67 -1.723 7.267 -2.744 513 H ILE 68 H ILE 68 -3.612 8.495 -5.146 514 HA ILE 68 HA ILE 68 -3.869 11.076 -3.741 515 HB ILE 68 HB ILE 68 -2.172 11.552 -5.463 516 1HG1 ILE 68 1HG1 ILE 68 -4.935 12.645 -6.077 517 2HG1 ILE 68 2HG1 ILE 68 -3.762 13.328 -4.951 518 1HG2 ILE 68 1HG2 ILE 68 -3.267 9.633 -6.946 519 2HG2 ILE 68 2HG2 ILE 68 -4.158 10.993 -7.630 520 3HG2 ILE 68 3HG2 ILE 68 -2.395 10.972 -7.692 521 1HD1 ILE 68 1HD1 ILE 68 -2.413 13.011 -7.423 522 2HD1 ILE 68 2HD1 ILE 68 -3.974 13.746 -7.791 523 3HD1 ILE 68 3HD1 ILE 68 -2.884 14.521 -6.643 524 H LEU 69 H LEU 69 -6.038 11.573 -3.635 525 HA LEU 69 HA LEU 69 -7.912 11.196 -5.721 526 1HB LEU 69 1HB LEU 69 -7.197 8.844 -4.712 527 2HB LEU 69 2HB LEU 69 -8.613 9.222 -3.744 528 HG LEU 69 HG LEU 69 -9.417 8.136 -5.784 529 1HD1 LEU 69 1HD1 LEU 69 -9.790 11.128 -5.702 530 2HD1 LEU 69 2HD1 LEU 69 -10.567 10.148 -6.943 531 3HD1 LEU 69 3HD1 LEU 69 -10.932 9.865 -5.243 532 1HD2 LEU 69 1HD2 LEU 69 -7.458 10.027 -7.039 533 2HD2 LEU 69 2HD2 LEU 69 -7.669 8.299 -7.321 534 3HD2 LEU 69 3HD2 LEU 69 -8.832 9.450 -7.982 535 H GLU 70 H GLU 70 -9.991 10.173 -3.680 536 HA GLU 70 HA GLU 70 -10.070 12.421 -1.764 537 1HB GLU 70 1HB GLU 70 -12.684 12.032 -3.014 538 2HB GLU 70 2HB GLU 70 -11.812 13.531 -2.699 539 1HG GLU 70 1HG GLU 70 -10.341 12.847 -4.731 540 2HG GLU 70 2HG GLU 70 -11.658 11.739 -5.118 541 H VAL 71 H VAL 71 -11.218 11.836 0.105 542 HA VAL 71 HA VAL 71 -12.188 9.012 0.120 543 HB VAL 71 HB VAL 71 -10.310 9.390 1.637 544 1HG1 VAL 71 1HG1 VAL 71 -10.798 11.869 1.890 545 2HG1 VAL 71 2HG1 VAL 71 -12.050 11.423 3.048 546 3HG1 VAL 71 3HG1 VAL 71 -10.362 11.033 3.377 547 1HG2 VAL 71 1HG2 VAL 71 -12.494 8.046 2.266 548 2HG2 VAL 71 2HG2 VAL 71 -11.256 8.329 3.487 549 3HG2 VAL 71 3HG2 VAL 71 -12.704 9.336 3.449 550 H GLN 72 H GLN 72 -14.320 8.693 0.427 551 HA GLN 72 HA GLN 72 -15.967 11.013 1.327 552 1HB GLN 72 1HB GLN 72 -16.295 8.941 -0.695 553 2HB GLN 72 2HB GLN 72 -17.672 8.987 0.407 554 1HG GLN 72 1HG GLN 72 -18.359 10.627 -1.046 555 2HG GLN 72 2HG GLN 72 -17.369 11.628 0.017 556 1HE2 GLN 72 2HE2 GLN 72 -17.306 12.912 -2.194 557 2HE2 GLN 72 1HE2 GLN 72 -16.024 12.523 -3.236 558 HA PRO 73 HA PRO 73 -17.297 8.843 4.910 559 1HB PRO 73 1HB PRO 73 -20.008 9.318 4.933 560 2HB PRO 73 2HB PRO 73 -18.795 10.551 5.320 561 1HG PRO 73 1HG PRO 73 -20.442 10.246 2.854 562 2HG PRO 73 2HG PRO 73 -19.720 11.708 3.547 563 1HD PRO 73 1HD PRO 73 -18.709 10.239 1.344 564 2HD PRO 73 2HD PRO 73 -17.842 11.501 2.247 565 H GLY 74 H GLY 74 -17.986 7.649 1.919 566 1HA GLY 74 1HA GLY 74 -18.692 5.027 2.932 567 2HA GLY 74 2HA GLY 74 -20.050 5.798 2.112 568 H ASN 75 H ASN 75 -16.607 6.108 1.283 569 HA ASN 75 HA ASN 75 -16.367 4.211 -0.741 570 1HB ASN 75 1HB ASN 75 -18.257 4.995 -1.940 571 2HB ASN 75 2HB ASN 75 -17.852 6.685 -1.639 572 1HD2 ASN 75 2HD2 ASN 75 -16.918 7.711 -3.405 573 2HD2 ASN 75 1HD2 ASN 75 -16.030 6.939 -4.628 574 H VAL 76 H VAL 76 -14.179 4.407 -0.142 575 HA VAL 76 HA VAL 76 -12.850 7.017 -0.656 576 HB VAL 76 HB VAL 76 -11.595 4.546 0.552 577 1HG1 VAL 76 1HG1 VAL 76 -10.995 7.497 0.470 578 2HG1 VAL 76 2HG1 VAL 76 -10.287 6.455 1.703 579 3HG1 VAL 76 3HG1 VAL 76 -9.959 6.152 -0.003 580 1HG2 VAL 76 1HG2 VAL 76 -13.499 6.525 1.732 581 2HG2 VAL 76 2HG2 VAL 76 -13.266 4.822 2.125 582 3HG2 VAL 76 3HG2 VAL 76 -12.125 6.028 2.720 583 H THR 77 H THR 77 -12.014 7.225 -2.687 584 HA THR 77 HA THR 77 -10.956 4.753 -4.013 585 HB THR 77 HB THR 77 -12.924 5.658 -5.167 586 HG1 THR 77 HG1 THR 77 -11.997 5.475 -7.064 587 1HG2 THR 77 1HG2 THR 77 -11.845 8.116 -4.358 588 2HG2 THR 77 2HG2 THR 77 -11.755 8.120 -6.119 589 3HG2 THR 77 3HG2 THR 77 -13.303 7.860 -5.315 590 H VAL 78 H VAL 78 -9.064 5.114 -5.425 591 HA VAL 78 HA VAL 78 -7.617 7.563 -5.608 592 HB VAL 78 HB VAL 78 -7.353 7.451 -3.197 593 1HG1 VAL 78 1HG1 VAL 78 -7.784 4.890 -3.239 594 2HG1 VAL 78 2HG1 VAL 78 -6.042 4.750 -3.483 595 3HG1 VAL 78 3HG1 VAL 78 -6.669 5.522 -2.026 596 1HG2 VAL 78 1HG2 VAL 78 -4.917 6.613 -4.787 597 2HG2 VAL 78 2HG2 VAL 78 -5.360 8.232 -4.249 598 3HG2 VAL 78 3HG2 VAL 78 -4.821 7.032 -3.077 599 H LEU 79 H LEU 79 -5.900 7.352 -6.957 600 HA LEU 79 HA LEU 79 -5.187 4.559 -7.753 601 1HB LEU 79 1HB LEU 79 -6.236 5.516 -9.638 602 2HB LEU 79 2HB LEU 79 -5.516 7.099 -9.349 603 HG LEU 79 HG LEU 79 -3.709 4.769 -9.899 604 1HD1 LEU 79 1HD1 LEU 79 -5.754 5.751 -11.704 605 2HD1 LEU 79 2HD1 LEU 79 -4.148 6.085 -12.351 606 3HD1 LEU 79 3HD1 LEU 79 -4.607 4.432 -11.940 607 1HD2 LEU 79 1HD2 LEU 79 -3.463 7.565 -9.518 608 2HD2 LEU 79 2HD2 LEU 79 -2.191 6.435 -9.980 609 3HD2 LEU 79 3HD2 LEU 79 -3.125 7.268 -11.223 610 H ALA 80 H ALA 80 -2.963 4.103 -8.028 611 HA ALA 80 HA ALA 80 -1.098 6.269 -7.136 612 1HB ALA 80 1HB ALA 80 -1.590 4.258 -5.536 613 2HB ALA 80 2HB ALA 80 -0.558 3.350 -6.640 614 3HB ALA 80 3HB ALA 80 0.083 4.756 -5.789 615 H ASP 81 H ASP 81 1.291 4.906 -7.605 616 HA ASP 81 HA ASP 81 1.207 4.644 -10.578 617 1HB ASP 81 1HB ASP 81 3.623 5.158 -8.823 618 2HB ASP 81 2HB ASP 81 3.526 5.312 -10.579 619 H THR 82 H THR 82 2.623 3.182 -7.648 620 HA THR 82 HA THR 82 3.258 0.759 -9.273 621 HB THR 82 HB THR 82 4.291 1.742 -6.601 622 HG1 THR 82 HG1 THR 82 6.194 1.079 -8.257 623 1HG2 THR 82 1HG2 THR 82 3.904 -0.708 -6.540 624 2HG2 THR 82 2HG2 THR 82 4.877 -0.882 -8.001 625 3HG2 THR 82 3HG2 THR 82 5.623 -0.313 -6.508 626 H ALA 83 H ALA 83 2.577 -1.313 -8.465 627 HA ALA 83 HA ALA 83 0.744 -1.356 -6.151 628 1HB ALA 83 1HB ALA 83 -0.124 -1.523 -8.982 629 2HB ALA 83 2HB ALA 83 -0.806 -2.738 -7.900 630 3HB ALA 83 3HB ALA 83 -1.030 -1.022 -7.554 631 H ILE 84 H ILE 84 2.190 -2.841 -5.187 632 HA ILE 84 HA ILE 84 2.622 -5.399 -6.655 633 HB ILE 84 HB ILE 84 4.058 -4.187 -4.278 634 1HG1 ILE 84 1HG1 ILE 84 5.537 -4.982 -6.696 635 2HG1 ILE 84 2HG1 ILE 84 4.368 -3.689 -6.969 636 1HG2 ILE 84 1HG2 ILE 84 4.114 -6.919 -5.508 637 2HG2 ILE 84 2HG2 ILE 84 5.610 -6.238 -4.869 638 3HG2 ILE 84 3HG2 ILE 84 4.216 -6.456 -3.810 639 1HD1 ILE 84 1HD1 ILE 84 5.980 -3.406 -4.508 640 2HD1 ILE 84 2HD1 ILE 84 6.892 -3.280 -6.012 641 3HD1 ILE 84 3HD1 ILE 84 5.537 -2.193 -5.709 642 H ARG 85 H ARG 85 0.194 -5.642 -5.969 643 HA ARG 85 HA ARG 85 -0.740 -5.992 -3.385 644 1HB ARG 85 1HB ARG 85 -2.133 -6.345 -5.393 645 2HB ARG 85 2HB ARG 85 -1.267 -7.844 -5.731 646 1HG ARG 85 1HG ARG 85 -2.247 -8.973 -3.962 647 2HG ARG 85 2HG ARG 85 -2.492 -7.499 -3.024 648 1HD ARG 85 1HD ARG 85 -4.666 -7.845 -3.695 649 2HD ARG 85 2HD ARG 85 -4.099 -6.920 -5.086 650 HE ARG 85 HE ARG 85 -3.669 -9.772 -5.427 651 1HH1 ARG 85 1HH1 ARG 85 -5.157 -7.037 -6.635 652 2HH1 ARG 85 2HH1 ARG 85 -6.494 -7.861 -7.363 653 1HH2 ARG 85 1HH2 ARG 85 -5.735 -10.923 -5.922 654 2HH2 ARG 85 2HH2 ARG 85 -6.821 -10.063 -6.963 655 H GLY 86 H GLY 86 -0.973 -7.988 -2.060 656 1HA GLY 86 1HA GLY 86 1.471 -9.175 -1.366 657 2HA GLY 86 2HA GLY 86 -0.097 -9.893 -0.997 658 H GLN 87 H GLN 87 2.458 -11.164 -1.895 659 HA GLN 87 HA GLN 87 3.242 -12.657 -3.555 660 1HB GLN 87 1HB GLN 87 1.404 -14.377 -4.084 661 2HB GLN 87 2HB GLN 87 1.832 -14.162 -2.387 662 1HG GLN 87 1HG GLN 87 -0.079 -12.650 -2.076 663 2HG GLN 87 2HG GLN 87 -0.496 -12.810 -3.782 664 1HE2 GLN 87 2HE2 GLN 87 -1.446 -13.937 -0.833 665 2HE2 GLN 87 1HE2 GLN 87 -2.009 -15.477 -1.273 666 H ASP 88 H ASP 88 2.482 -10.155 -4.705 667 HA ASP 88 HA ASP 88 0.707 -10.143 -6.835 668 1HB ASP 88 1HB ASP 88 2.066 -8.192 -6.325 669 2HB ASP 88 2HB ASP 88 3.538 -9.056 -6.771 670 H LEU 89 H LEU 89 4.038 -11.444 -6.897 671 HA LEU 89 HA LEU 89 3.181 -13.357 -8.982 672 1HB LEU 89 1HB LEU 89 4.509 -10.985 -9.681 673 2HB LEU 89 2HB LEU 89 5.760 -12.228 -9.702 674 HG LEU 89 HG LEU 89 3.573 -13.467 -10.903 675 1HD1 LEU 89 1HD1 LEU 89 2.535 -11.169 -11.012 676 2HD1 LEU 89 2HD1 LEU 89 3.876 -10.676 -12.044 677 3HD1 LEU 89 3HD1 LEU 89 2.763 -11.933 -12.584 678 1HD2 LEU 89 1HD2 LEU 89 6.205 -12.373 -11.685 679 2HD2 LEU 89 2HD2 LEU 89 5.509 -13.962 -12.002 680 3HD2 LEU 89 3HD2 LEU 89 5.074 -12.590 -13.021 681 H ASP 90 H ASP 90 6.141 -12.151 -7.345 682 HA ASP 90 HA ASP 90 6.664 -14.977 -6.525 683 1HB ASP 90 1HB ASP 90 8.311 -13.196 -8.153 684 2HB ASP 90 2HB ASP 90 9.172 -13.784 -6.730 685 H GLU 91 H GLU 91 8.897 -14.530 -4.951 686 HA GLU 91 HA GLU 91 8.178 -12.353 -3.068 687 1HB GLU 91 1HB GLU 91 8.078 -13.841 -1.159 688 2HB GLU 91 2HB GLU 91 6.947 -14.439 -2.373 689 1HG GLU 91 1HG GLU 91 8.940 -15.894 -3.192 690 2HG GLU 91 2HG GLU 91 9.647 -15.538 -1.615 691 H ALA 92 H ALA 92 10.420 -14.958 -3.961 692 HA ALA 92 HA ALA 92 12.566 -14.009 -2.266 693 1HB ALA 92 1HB ALA 92 12.467 -15.882 -4.638 694 2HB ALA 92 2HB ALA 92 13.973 -15.492 -3.807 695 3HB ALA 92 3HB ALA 92 12.668 -16.297 -2.935 696 H ARG 93 H ARG 93 11.566 -13.387 -5.597 697 HA ARG 93 HA ARG 93 13.980 -11.957 -6.327 698 1HB ARG 93 1HB ARG 93 11.909 -12.965 -7.759 699 2HB ARG 93 2HB ARG 93 11.433 -11.267 -7.688 700 1HG ARG 93 1HG ARG 93 13.020 -10.686 -9.176 701 2HG ARG 93 2HG ARG 93 14.269 -11.518 -8.249 702 1HD ARG 93 1HD ARG 93 12.986 -13.656 -9.291 703 2HD ARG 93 2HD ARG 93 12.676 -12.478 -10.566 704 HE ARG 93 HE ARG 93 15.380 -12.201 -10.096 705 1HH1 ARG 93 1HH1 ARG 93 13.192 -14.726 -10.952 706 2HH1 ARG 93 2HH1 ARG 93 14.413 -15.719 -11.669 707 1HH2 ARG 93 1HH2 ARG 93 17.004 -13.537 -10.934 708 2HH2 ARG 93 2HH2 ARG 93 16.569 -15.048 -11.659 709 H ALA 94 H ALA 94 11.454 -11.205 -4.234 710 HA ALA 94 HA ALA 94 11.524 -8.300 -4.771 711 1HB ALA 94 1HB ALA 94 9.386 -9.428 -4.139 712 2HB ALA 94 2HB ALA 94 10.096 -9.831 -2.576 713 3HB ALA 94 3HB ALA 94 9.832 -8.143 -3.016 714 H MET 95 H MET 95 13.183 -10.611 -2.891 715 HA MET 95 HA MET 95 13.952 -8.686 -0.790 716 1HB MET 95 1HB MET 95 14.035 -11.575 -1.155 717 2HB MET 95 2HB MET 95 15.576 -10.950 -0.568 718 1HG MET 95 1HG MET 95 13.988 -9.552 1.047 719 2HG MET 95 2HG MET 95 12.886 -10.893 0.735 720 1HE MET 95 1HE MET 95 12.539 -12.033 2.450 721 2HE MET 95 2HE MET 95 13.332 -13.476 1.825 722 3HE MET 95 3HE MET 95 13.621 -12.955 3.491 723 H GLU 96 H GLU 96 15.063 -9.768 -3.863 724 HA GLU 96 HA GLU 96 17.873 -9.103 -3.413 725 1HB GLU 96 1HB GLU 96 16.268 -10.278 -5.535 726 2HB GLU 96 2HB GLU 96 17.385 -9.071 -6.173 727 1HG GLU 96 1HG GLU 96 18.664 -10.733 -4.158 728 2HG GLU 96 2HG GLU 96 18.014 -11.707 -5.477 729 H ALA 97 H ALA 97 15.151 -7.229 -3.650 730 HA ALA 97 HA ALA 97 16.222 -5.121 -5.373 731 1HB ALA 97 1HB ALA 97 13.799 -5.371 -3.591 732 2HB ALA 97 2HB ALA 97 14.238 -3.830 -4.327 733 3HB ALA 97 3HB ALA 97 13.860 -5.217 -5.347 734 H LYS 98 H LYS 98 15.917 -5.722 -1.889 735 HA LYS 98 HA LYS 98 17.016 -3.123 -1.160 736 1HB LYS 98 1HB LYS 98 15.504 -4.650 0.275 737 2HB LYS 98 2HB LYS 98 16.971 -5.569 0.612 738 1HG LYS 98 1HG LYS 98 17.863 -3.038 1.063 739 2HG LYS 98 2HG LYS 98 16.175 -2.873 1.546 740 1HD LYS 98 1HD LYS 98 17.241 -3.575 3.528 741 2HD LYS 98 2HD LYS 98 16.563 -5.068 2.877 742 1HE LYS 98 1HE LYS 98 19.303 -4.321 1.976 743 2HE LYS 98 2HE LYS 98 19.131 -4.884 3.639 744 1HZ LYS 98 1HZ LYS 98 17.612 -6.629 2.239 745 2HZ LYS 98 2HZ LYS 98 18.906 -6.346 1.175 746 3HZ LYS 98 3HZ LYS 98 19.205 -6.911 2.750 747 H ARG 99 H ARG 99 18.285 -6.304 -1.873 748 HA ARG 99 HA ARG 99 20.892 -5.898 -0.690 749 1HB ARG 99 1HB ARG 99 19.608 -8.063 -1.717 750 2HB ARG 99 2HB ARG 99 20.670 -7.660 -3.067 751 1HG ARG 99 1HG ARG 99 22.613 -7.669 -1.542 752 2HG ARG 99 2HG ARG 99 21.551 -8.086 -0.196 753 1HD ARG 99 1HD ARG 99 22.217 -10.211 -0.791 754 2HD ARG 99 2HD ARG 99 20.836 -10.045 -1.875 755 HE ARG 99 HE ARG 99 22.350 -9.792 -3.712 756 1HH1 ARG 99 1HH1 ARG 99 24.096 -8.722 -1.066 757 2HH1 ARG 99 2HH1 ARG 99 25.593 -9.462 -1.524 758 1HH2 ARG 99 1HH2 ARG 99 24.207 -11.266 -4.141 759 2HH2 ARG 99 2HH2 ARG 99 25.656 -10.904 -3.263 760 H LYS 100 H LYS 100 19.584 -5.476 -3.981 761 HA LYS 100 HA LYS 100 22.144 -4.466 -4.984 762 1HB LYS 100 1HB LYS 100 19.577 -5.261 -6.101 763 2HB LYS 100 2HB LYS 100 20.129 -3.733 -6.789 764 1HG LYS 100 1HG LYS 100 22.388 -5.466 -6.610 765 2HG LYS 100 2HG LYS 100 21.075 -6.374 -7.362 766 1HD LYS 100 1HD LYS 100 20.767 -4.660 -9.044 767 2HD LYS 100 2HD LYS 100 21.919 -3.597 -8.235 768 1HE LYS 100 1HE LYS 100 23.418 -4.502 -9.694 769 2HE LYS 100 2HE LYS 100 23.432 -5.848 -8.555 770 1HZ LYS 100 1HZ LYS 100 21.225 -6.078 -10.304 771 2HZ LYS 100 2HZ LYS 100 22.651 -5.899 -11.210 772 3HZ LYS 100 3HZ LYS 100 22.522 -7.153 -10.075 773 H ALA 101 H ALA 101 19.288 -3.161 -3.502 774 HA ALA 101 HA ALA 101 19.766 -0.424 -4.435 775 1HB ALA 101 1HB ALA 101 17.490 -1.422 -3.779 776 2HB ALA 101 2HB ALA 101 18.024 -1.255 -2.107 777 3HB ALA 101 3HB ALA 101 17.864 0.174 -3.129 778 H GLU 102 H GLU 102 20.794 -2.452 -1.822 779 HA GLU 102 HA GLU 102 21.464 -0.407 0.081 780 1HB GLU 102 1HB GLU 102 21.378 -2.684 0.841 781 2HB GLU 102 2HB GLU 102 22.539 -3.200 -0.382 782 1HG GLU 102 1HG GLU 102 24.222 -1.645 0.699 783 2HG GLU 102 2HG GLU 102 23.064 -1.421 2.011 784 H GLU 103 H GLU 103 22.890 -1.386 -2.905 785 HA GLU 103 HA GLU 103 25.522 -0.227 -2.243 786 1HB GLU 103 1HB GLU 103 24.630 -2.156 -4.071 787 2HB GLU 103 2HB GLU 103 25.075 -0.768 -5.064 788 1HG GLU 103 1HG GLU 103 27.228 -1.384 -4.830 789 2HG GLU 103 2HG GLU 103 27.098 -0.966 -3.122 790 H HIS 104 H HIS 104 22.556 0.659 -3.873 791 HA HIS 104 HA HIS 104 23.698 2.967 -5.237 792 1HB HIS 104 1HB HIS 104 21.076 1.673 -5.008 793 2HB HIS 104 2HB HIS 104 20.975 3.434 -5.030 794 HD1 HIS 104 HD1 HIS 104 22.150 4.647 -7.108 795 HD2 HIS 104 HD2 HIS 104 21.701 0.519 -7.475 796 HE1 HIS 104 HE1 HIS 104 22.504 4.103 -9.555 797 H ILE 105 H ILE 105 21.709 2.487 -2.310 798 HA ILE 105 HA ILE 105 21.958 5.339 -1.631 799 HB ILE 105 HB ILE 105 20.667 3.022 -0.162 800 1HG1 ILE 105 1HG1 ILE 105 19.353 5.343 -1.596 801 2HG1 ILE 105 2HG1 ILE 105 19.697 3.811 -2.400 802 1HG2 ILE 105 1HG2 ILE 105 20.970 5.947 0.448 803 2HG2 ILE 105 2HG2 ILE 105 19.511 5.099 0.963 804 3HG2 ILE 105 3HG2 ILE 105 21.090 4.564 1.537 805 1HD1 ILE 105 1HD1 ILE 105 18.462 2.741 -0.366 806 2HD1 ILE 105 2HD1 ILE 105 17.808 4.361 -0.122 807 3HD1 ILE 105 3HD1 ILE 105 17.500 3.503 -1.632 808 H SER 106 H SER 106 24.177 3.062 -1.557 809 HA SER 106 HA SER 106 25.111 2.599 1.012 810 1HB SER 106 1HB SER 106 26.498 3.171 -1.578 811 2HB SER 106 2HB SER 106 27.466 3.120 -0.108 812 HG SER 106 HG SER 106 26.098 1.060 0.202 813 H SER 107 H SER 107 26.060 5.472 -0.918 814 HA SER 107 HA SER 107 26.807 6.857 1.585 815 1HB SER 107 1HB SER 107 27.943 8.399 0.232 816 2HB SER 107 2HB SER 107 28.099 6.910 -0.695 817 HG SER 107 HG SER 107 27.297 8.932 -1.778 818 H SER 108 H SER 108 26.147 9.510 0.771 819 HA SER 108 HA SER 108 23.485 9.901 -0.085 820 1HB SER 108 1HB SER 108 23.617 8.688 2.495 821 2HB SER 108 2HB SER 108 23.072 10.348 2.713 822 HG SER 108 HG SER 108 21.498 9.933 1.087 823 H HIS 109 H HIS 109 23.347 12.058 -0.466 824 HA HIS 109 HA HIS 109 24.371 14.015 1.444 825 1HB HIS 109 1HB HIS 109 25.851 13.351 -1.078 826 2HB HIS 109 2HB HIS 109 25.800 15.031 -0.543 827 HD1 HIS 109 HD1 HIS 109 26.328 15.176 2.253 828 HD2 HIS 109 HD2 HIS 109 27.991 12.046 0.059 829 HE1 HIS 109 HE1 HIS 109 28.264 14.290 3.624 830 H GLY 110 H GLY 110 22.258 14.865 1.359 831 1HA GLY 110 1HA GLY 110 21.663 16.932 -0.389 832 2HA GLY 110 2HA GLY 110 20.960 15.509 -1.159 833 H ASP 111 H ASP 111 19.712 17.918 0.215 834 HA ASP 111 HA ASP 111 18.476 16.932 2.639 835 1HB ASP 111 1HB ASP 111 18.314 19.336 0.949 836 2HB ASP 111 2HB ASP 111 16.784 18.895 1.709 837 H VAL 112 H VAL 112 17.444 17.110 -0.768 838 HA VAL 112 HA VAL 112 15.363 15.085 -0.103 839 HB VAL 112 HB VAL 112 13.699 16.249 -1.437 840 1HG1 VAL 112 1HG1 VAL 112 15.107 18.054 0.552 841 2HG1 VAL 112 2HG1 VAL 112 13.488 18.351 -0.081 842 3HG1 VAL 112 3HG1 VAL 112 13.803 16.918 0.896 843 1HG2 VAL 112 1HG2 VAL 112 16.080 17.786 -2.271 844 2HG2 VAL 112 2HG2 VAL 112 14.587 17.462 -3.151 845 3HG2 VAL 112 3HG2 VAL 112 14.649 18.769 -1.968 846 H ASP 113 H ASP 113 17.463 16.562 -2.519 847 HA ASP 113 HA ASP 113 16.815 15.294 -4.870 848 1HB ASP 113 1HB ASP 113 19.397 16.014 -3.575 849 2HB ASP 113 2HB ASP 113 19.482 14.931 -4.966 850 H TYR 114 H TYR 114 19.590 13.734 -3.422 851 HA TYR 114 HA TYR 114 18.520 11.108 -4.130 852 1HB TYR 114 1HB TYR 114 20.998 11.877 -4.194 853 2HB TYR 114 2HB TYR 114 20.980 11.612 -2.451 854 HD1 TYR 114 HD1 TYR 114 19.677 9.828 -5.498 855 HD2 TYR 114 HD2 TYR 114 21.801 9.554 -1.774 856 HE1 TYR 114 HE1 TYR 114 19.999 7.396 -5.860 857 HE2 TYR 114 HE2 TYR 114 22.123 7.124 -2.137 858 HH TYR 114 HH TYR 114 20.916 5.286 -3.457 859 H ALA 115 H ALA 115 18.608 13.166 -1.379 860 HA ALA 115 HA ALA 115 18.376 11.273 0.735 861 1HB ALA 115 1HB ALA 115 18.144 14.113 0.372 862 2HB ALA 115 2HB ALA 115 16.764 13.549 1.319 863 3HB ALA 115 3HB ALA 115 18.407 13.218 1.872 864 H GLN 116 H GLN 116 16.203 12.161 -1.781 865 HA GLN 116 HA GLN 116 13.786 11.304 -0.342 866 1HB GLN 116 1HB GLN 116 14.420 12.491 -2.993 867 2HB GLN 116 2HB GLN 116 13.004 11.440 -2.933 868 1HG GLN 116 1HG GLN 116 12.095 12.751 -1.059 869 2HG GLN 116 2HG GLN 116 13.514 13.798 -1.095 870 1HE2 GLN 116 2HE2 GLN 116 11.920 12.519 -4.015 871 2HE2 GLN 116 1HE2 GLN 116 11.375 14.025 -4.578 872 H ALA 117 H ALA 117 16.017 10.024 -2.768 873 HA ALA 117 HA ALA 117 14.491 7.694 -3.443 874 1HB ALA 117 1HB ALA 117 17.272 8.637 -3.810 875 2HB ALA 117 2HB ALA 117 17.071 6.885 -3.803 876 3HB ALA 117 3HB ALA 117 16.182 7.870 -4.966 877 H SER 118 H SER 118 16.016 8.563 -0.548 878 HA SER 118 HA SER 118 16.902 5.944 0.306 879 1HB SER 118 1HB SER 118 16.073 8.293 2.033 880 2HB SER 118 2HB SER 118 17.091 6.939 2.513 881 HG SER 118 HG SER 118 17.639 9.100 0.809 882 H ALA 119 H ALA 119 13.971 7.869 1.004 883 HA ALA 119 HA ALA 119 12.675 5.951 2.642 884 1HB ALA 119 1HB ALA 119 11.753 8.222 0.920 885 2HB ALA 119 2HB ALA 119 10.546 7.105 1.555 886 3HB ALA 119 3HB ALA 119 11.587 8.001 2.661 887 H GLU 120 H GLU 120 13.119 6.058 -0.819 888 HA GLU 120 HA GLU 120 10.985 4.288 -1.555 889 1HB GLU 120 1HB GLU 120 13.618 5.022 -2.832 890 2HB GLU 120 2HB GLU 120 12.558 3.811 -3.556 891 1HG GLU 120 1HG GLU 120 11.564 6.555 -2.774 892 2HG GLU 120 2HG GLU 120 12.243 6.222 -4.367 893 H LEU 121 H LEU 121 14.426 3.664 -0.819 894 HA LEU 121 HA LEU 121 14.464 0.888 -1.243 895 1HB LEU 121 1HB LEU 121 16.496 2.105 -0.689 896 2HB LEU 121 2HB LEU 121 15.865 2.498 0.911 897 HG LEU 121 HG LEU 121 15.813 0.118 1.500 898 1HD1 LEU 121 1HD1 LEU 121 16.521 -0.151 -1.397 899 2HD1 LEU 121 2HD1 LEU 121 17.145 -1.352 -0.266 900 3HD1 LEU 121 3HD1 LEU 121 15.405 -1.109 -0.424 901 1HD2 LEU 121 1HD2 LEU 121 17.952 1.571 1.652 902 2HD2 LEU 121 2HD2 LEU 121 18.148 -0.178 1.772 903 3HD2 LEU 121 3HD2 LEU 121 18.514 0.649 0.257 904 H ALA 122 H ALA 122 13.670 2.584 1.811 905 HA ALA 122 HA ALA 122 12.918 0.163 3.183 906 1HB ALA 122 1HB ALA 122 12.474 3.099 3.690 907 2HB ALA 122 2HB ALA 122 11.707 1.884 4.712 908 3HB ALA 122 3HB ALA 122 13.465 1.959 4.602 909 H LYS 123 H LYS 123 11.292 2.205 0.911 910 HA LYS 123 HA LYS 123 8.591 1.432 1.708 911 1HB LYS 123 1HB LYS 123 9.765 3.319 -0.071 912 2HB LYS 123 2HB LYS 123 8.712 2.279 -1.031 913 1HG LYS 123 1HG LYS 123 6.810 2.798 0.283 914 2HG LYS 123 2HG LYS 123 7.792 3.466 1.587 915 1HD LYS 123 1HD LYS 123 8.027 4.728 -1.110 916 2HD LYS 123 2HD LYS 123 6.564 5.050 -0.178 917 1HE LYS 123 1HE LYS 123 8.385 5.423 1.765 918 2HE LYS 123 2HE LYS 123 9.378 5.852 0.373 919 1HZ LYS 123 1HZ LYS 123 7.061 7.113 -0.157 920 2HZ LYS 123 2HZ LYS 123 7.138 7.245 1.532 921 3HZ LYS 123 3HZ LYS 123 8.411 7.838 0.578 922 H ALA 124 H ALA 124 11.110 -0.069 -0.044 923 HA ALA 124 HA ALA 124 9.288 -1.714 -1.684 924 1HB ALA 124 1HB ALA 124 12.076 -1.012 -1.755 925 2HB ALA 124 2HB ALA 124 11.924 -2.769 -1.723 926 3HB ALA 124 3HB ALA 124 11.119 -1.837 -2.985 927 H ILE 125 H ILE 125 10.581 -1.777 1.460 928 HA ILE 125 HA ILE 125 10.618 -4.720 1.651 929 HB ILE 125 HB ILE 125 11.126 -2.495 3.638 930 1HG1 ILE 125 1HG1 ILE 125 13.396 -3.442 3.626 931 2HG1 ILE 125 2HG1 ILE 125 12.877 -4.704 2.509 932 1HG2 ILE 125 1HG2 ILE 125 10.581 -5.393 4.058 933 2HG2 ILE 125 2HG2 ILE 125 11.929 -4.701 4.960 934 3HG2 ILE 125 3HG2 ILE 125 10.308 -4.029 5.142 935 1HD1 ILE 125 1HD1 ILE 125 12.430 -1.829 1.773 936 2HD1 ILE 125 2HD1 ILE 125 14.038 -2.526 1.580 937 3HD1 ILE 125 3HD1 ILE 125 12.666 -3.226 0.722 938 H ALA 126 H ALA 126 8.235 -2.412 1.627 939 HA ALA 126 HA ALA 126 6.590 -3.607 3.765 940 1HB ALA 126 1HB ALA 126 6.445 -1.209 2.023 941 2HB ALA 126 2HB ALA 126 4.897 -1.937 2.452 942 3HB ALA 126 3HB ALA 126 5.999 -1.398 3.719 943 H GLN 127 H GLN 127 7.026 -3.834 0.319 944 HA GLN 127 HA GLN 127 4.450 -5.061 -0.236 945 1HB GLN 127 1HB GLN 127 5.656 -5.761 -2.389 946 2HB GLN 127 2HB GLN 127 5.537 -4.028 -2.090 947 1HG GLN 127 1HG GLN 127 7.794 -3.858 -1.439 948 2HG GLN 127 2HG GLN 127 7.930 -5.590 -1.137 949 1HE2 GLN 127 2HE2 GLN 127 7.037 -6.779 -3.435 950 2HE2 GLN 127 1HE2 GLN 127 7.937 -6.268 -4.781 951 H LEU 128 H LEU 128 7.657 -6.224 0.657 952 HA LEU 128 HA LEU 128 6.914 -9.028 0.197 953 1HB LEU 128 1HB LEU 128 9.235 -8.379 -0.162 954 2HB LEU 128 2HB LEU 128 9.351 -7.764 1.486 955 HG LEU 128 HG LEU 128 8.400 -10.542 1.325 956 1HD1 LEU 128 1HD1 LEU 128 11.171 -9.785 0.358 957 2HD1 LEU 128 2HD1 LEU 128 10.719 -11.412 0.866 958 3HD1 LEU 128 3HD1 LEU 128 9.942 -10.678 -0.537 959 1HD2 LEU 128 1HD2 LEU 128 9.065 -9.321 3.405 960 2HD2 LEU 128 2HD2 LEU 128 9.992 -10.802 3.161 961 3HD2 LEU 128 3HD2 LEU 128 10.716 -9.236 2.790 962 H ARG 129 H ARG 129 6.297 -6.774 2.608 963 HA ARG 129 HA ARG 129 6.525 -8.565 4.903 964 1HB ARG 129 1HB ARG 129 5.893 -5.771 4.436 965 2HB ARG 129 2HB ARG 129 4.731 -6.498 5.545 966 1HG ARG 129 1HG ARG 129 7.598 -7.164 5.987 967 2HG ARG 129 2HG ARG 129 7.094 -5.520 6.382 968 1HD ARG 129 1HD ARG 129 6.724 -6.714 8.386 969 2HD ARG 129 2HD ARG 129 5.128 -6.642 7.639 970 HE ARG 129 HE ARG 129 5.525 -8.989 6.854 971 1HH1 ARG 129 1HH2 ARG 129 5.667 -8.573 9.965 972 2HH1 ARG 129 2HH2 ARG 129 6.943 -9.683 10.342 973 1HH2 ARG 129 1HH1 ARG 129 7.973 -10.030 7.050 974 2HH2 ARG 129 2HH1 ARG 129 8.248 -10.507 8.692 975 H VAL 130 H VAL 130 4.098 -7.796 2.515 976 HA VAL 130 HA VAL 130 1.945 -9.067 4.074 977 HB VAL 130 HB VAL 130 0.706 -8.748 1.812 978 1HG1 VAL 130 1HG1 VAL 130 1.438 -6.909 3.940 979 2HG1 VAL 130 2HG1 VAL 130 1.115 -6.048 2.435 980 3HG1 VAL 130 3HG1 VAL 130 -0.113 -7.109 3.126 981 1HG2 VAL 130 1HG2 VAL 130 3.199 -8.245 0.855 982 2HG2 VAL 130 2HG2 VAL 130 1.730 -7.604 0.120 983 3HG2 VAL 130 3HG2 VAL 130 2.669 -6.606 1.228 984 H ILE 131 H ILE 131 4.140 -9.864 1.438 985 HA ILE 131 HA ILE 131 2.768 -12.303 0.685 986 HB ILE 131 HB ILE 131 4.568 -12.679 -0.778 987 1HG1 ILE 131 1HG1 ILE 131 6.262 -11.067 1.159 988 2HG1 ILE 131 2HG1 ILE 131 6.371 -12.802 0.855 989 1HG2 ILE 131 1HG2 ILE 131 3.474 -10.168 -0.643 990 2HG2 ILE 131 2HG2 ILE 131 5.200 -9.806 -0.589 991 3HG2 ILE 131 3HG2 ILE 131 4.532 -10.726 -1.939 992 1HD1 ILE 131 1HD1 ILE 131 6.830 -12.189 -1.593 993 2HD1 ILE 131 2HD1 ILE 131 7.072 -10.538 -1.021 994 3HD1 ILE 131 3HD1 ILE 131 8.119 -11.834 -0.443 995 H GLU 132 H GLU 132 4.380 -11.471 3.476 996 HA GLU 132 HA GLU 132 5.773 -13.988 3.958 997 1HB GLU 132 1HB GLU 132 4.929 -11.864 5.951 998 2HB GLU 132 2HB GLU 132 6.160 -13.104 6.188 999 1HG GLU 132 1HG GLU 132 6.718 -11.656 3.762 1000 2HG GLU 132 2HG GLU 132 6.518 -10.517 5.093 1001 H LEU 133 H LEU 133 2.592 -12.633 4.728 1002 HA LEU 133 HA LEU 133 1.920 -14.964 6.403 1003 1HB LEU 133 1HB LEU 133 -0.177 -13.854 6.807 1004 2HB LEU 133 2HB LEU 133 1.087 -12.627 6.892 1005 HG LEU 133 HG LEU 133 0.237 -12.873 4.166 1006 1HD1 LEU 133 1HD1 LEU 133 -1.843 -13.508 5.933 1007 2HD1 LEU 133 2HD1 LEU 133 -2.104 -11.813 5.523 1008 3HD1 LEU 133 3HD1 LEU 133 -2.011 -13.026 4.245 1009 1HD2 LEU 133 1HD2 LEU 133 0.012 -10.733 6.301 1010 2HD2 LEU 133 2HD2 LEU 133 1.239 -10.864 5.040 1011 3HD2 LEU 133 3HD2 LEU 133 -0.424 -10.461 4.613 1012 H THR 134 H THR 134 2.212 -14.559 3.176 1013 HA THR 134 HA THR 134 -0.293 -15.845 2.340 1014 HB THR 134 HB THR 134 0.746 -15.829 0.092 1015 HG1 THR 134 HG1 THR 134 2.859 -16.138 0.443 1016 1HG2 THR 134 1HG2 THR 134 -0.353 -13.777 1.127 1017 2HG2 THR 134 2HG2 THR 134 1.275 -13.192 1.472 1018 3HG2 THR 134 3HG2 THR 134 0.768 -13.456 -0.197 1019 H LYS 135 H LYS 135 2.771 -16.816 3.519 1020 HA LYS 135 HA LYS 135 2.936 -19.382 2.186 1021 1HB LYS 135 1HB LYS 135 4.217 -18.235 4.675 1022 2HB LYS 135 2HB LYS 135 4.506 -19.895 4.157 1023 1HG LYS 135 1HG LYS 135 5.084 -18.857 1.852 1024 2HG LYS 135 2HG LYS 135 5.218 -17.335 2.734 1025 1HD LYS 135 1HD LYS 135 6.801 -18.518 4.325 1026 2HD LYS 135 2HD LYS 135 6.802 -19.873 3.196 1027 1HE LYS 135 1HE LYS 135 7.933 -18.683 1.553 1028 2HE LYS 135 2HE LYS 135 7.354 -17.123 2.140 1029 1HZ LYS 135 1HZ LYS 135 8.752 -17.541 4.161 1030 2HZ LYS 135 2HZ LYS 135 9.447 -18.848 3.335 1031 3HZ LYS 135 3HZ LYS 135 9.618 -17.270 2.725 1032 H LYS 136 H LYS 136 1.235 -18.154 4.975 1033 HA LYS 136 HA LYS 136 0.316 -20.938 5.580 1034 1HB LYS 136 1HB LYS 136 1.335 -18.865 7.295 1035 2HB LYS 136 2HB LYS 136 -0.344 -19.191 7.723 1036 1HG LYS 136 1HG LYS 136 0.098 -21.340 8.397 1037 2HG LYS 136 2HG LYS 136 1.382 -21.560 7.208 1038 1HD LYS 136 1HD LYS 136 1.794 -19.606 9.448 1039 2HD LYS 136 2HD LYS 136 1.985 -21.331 9.766 1040 1HE LYS 136 1HE LYS 136 3.353 -19.986 7.434 1041 2HE LYS 136 2HE LYS 136 4.093 -20.048 9.033 1042 1HZ LYS 136 1HZ LYS 136 3.127 -22.434 7.557 1043 2HZ LYS 136 2HZ LYS 136 4.740 -21.903 7.549 1044 3HZ LYS 136 3HZ LYS 136 4.019 -22.416 9.000 1045 H ALA 137 H ALA 137 -0.846 -19.347 3.509 1046 HA ALA 137 HA ALA 137 -3.462 -18.576 4.738 1047 1HB ALA 137 1HB ALA 137 -1.916 -17.559 2.387 1048 2HB ALA 137 2HB ALA 137 -3.678 -17.511 2.304 1049 3HB ALA 137 3HB ALA 137 -2.834 -16.662 3.598 1050 H MET 138 H MET 138 -1.928 -20.989 2.974 1051 HA MET 138 HA MET 138 -4.552 -21.887 1.848 1052 1HB MET 138 1HB MET 138 -2.100 -21.391 0.487 1053 2HB MET 138 2HB MET 138 -2.352 -23.137 0.497 1054 1HG MET 138 1HG MET 138 -4.646 -22.801 -0.375 1055 2HG MET 138 2HG MET 138 -4.365 -21.059 -0.416 1056 1HE MET 138 1HE MET 138 -3.052 -24.368 -1.116 1057 2HE MET 138 2HE MET 138 -3.817 -24.412 -2.704 1058 3HE MET 138 3HE MET 138 -2.062 -24.294 -2.581 Start of MODEL 22 1 1H ALA 1 1H ALA 1 -17.165 -1.362 11.803 2 2H ALA 1 2H ALA 1 -17.827 -0.727 13.234 3 3H ALA 1 3H ALA 1 -16.647 -1.948 13.308 4 HA ALA 1 HA ALA 1 -18.084 -3.605 12.769 5 1HB ALA 1 1HB ALA 1 -18.858 -2.314 14.838 6 2HB ALA 1 2HB ALA 1 -20.078 -1.578 13.798 7 3HB ALA 1 3HB ALA 1 -20.076 -3.322 14.056 8 H MET 2 H MET 2 -19.461 -0.501 11.659 9 HA MET 2 HA MET 2 -21.399 -1.665 9.903 10 1HB MET 2 1HB MET 2 -20.129 1.021 10.207 11 2HB MET 2 2HB MET 2 -20.964 0.678 8.693 12 1HG MET 2 1HG MET 2 -22.973 0.918 9.682 13 2HG MET 2 2HG MET 2 -22.543 -0.249 10.931 14 1HE MET 2 1HE MET 2 -21.557 2.940 9.479 15 2HE MET 2 2HE MET 2 -21.736 4.189 10.710 16 3HE MET 2 3HE MET 2 -20.260 3.229 10.647 17 H THR 3 H THR 3 -21.152 -1.049 7.397 18 HA THR 3 HA THR 3 -18.415 -1.731 6.441 19 HB THR 3 HB THR 3 -19.428 -3.422 4.878 20 HG1 THR 3 HG1 THR 3 -21.620 -2.398 5.471 21 1HG2 THR 3 1HG2 THR 3 -18.564 -3.752 7.427 22 2HG2 THR 3 2HG2 THR 3 -20.196 -4.406 7.563 23 3HG2 THR 3 3HG2 THR 3 -19.069 -5.090 6.393 24 H TYR 4 H TYR 4 -18.113 -1.167 4.201 25 HA TYR 4 HA TYR 4 -20.258 0.345 2.869 26 1HB TYR 4 1HB TYR 4 -18.895 2.348 2.589 27 2HB TYR 4 2HB TYR 4 -19.066 2.000 4.305 28 HD1 TYR 4 HD1 TYR 4 -17.106 0.093 5.049 29 HD2 TYR 4 HD2 TYR 4 -16.794 3.132 2.024 30 HE1 TYR 4 HE1 TYR 4 -14.650 0.078 5.291 31 HE2 TYR 4 HE2 TYR 4 -14.325 3.109 2.269 32 HH TYR 4 HH TYR 4 -12.575 1.645 3.051 33 H HIS 5 H HIS 5 -18.177 1.529 1.071 34 HA HIS 5 HA HIS 5 -17.192 -0.971 -0.259 35 1HB HIS 5 1HB HIS 5 -18.887 -0.558 -1.752 36 2HB HIS 5 2HB HIS 5 -19.037 1.130 -1.277 37 HD1 HIS 5 HD1 HIS 5 -18.048 -0.811 -4.086 38 HD2 HIS 5 HD2 HIS 5 -16.496 2.590 -2.260 39 HE1 HIS 5 HE1 HIS 5 -16.536 0.293 -5.792 40 H LEU 6 H LEU 6 -15.090 -0.660 -1.260 41 HA LEU 6 HA LEU 6 -14.020 2.084 -1.142 42 1HB LEU 6 1HB LEU 6 -12.015 1.490 -0.041 43 2HB LEU 6 2HB LEU 6 -13.287 0.696 0.885 44 HG LEU 6 HG LEU 6 -12.863 -1.309 -0.697 45 1HD1 LEU 6 1HD1 LEU 6 -10.743 0.572 -1.451 46 2HD1 LEU 6 2HD1 LEU 6 -10.127 -1.023 -1.018 47 3HD1 LEU 6 3HD1 LEU 6 -11.323 -0.859 -2.304 48 1HD2 LEU 6 1HD2 LEU 6 -11.644 -0.421 1.750 49 2HD2 LEU 6 2HD2 LEU 6 -12.071 -2.061 1.268 50 3HD2 LEU 6 3HD2 LEU 6 -10.494 -1.398 0.839 51 H ASP 7 H ASP 7 -12.244 2.460 -2.638 52 HA ASP 7 HA ASP 7 -11.840 0.305 -4.656 53 1HB ASP 7 1HB ASP 7 -13.482 2.597 -5.039 54 2HB ASP 7 2HB ASP 7 -12.025 2.825 -6.007 55 H VAL 8 H VAL 8 -9.665 0.042 -4.727 56 HA VAL 8 HA VAL 8 -7.950 2.476 -4.455 57 HB VAL 8 HB VAL 8 -7.405 0.954 -2.690 58 1HG1 VAL 8 1HG1 VAL 8 -7.454 -1.169 -4.851 59 2HG1 VAL 8 2HG1 VAL 8 -6.852 -1.449 -3.217 60 3HG1 VAL 8 3HG1 VAL 8 -8.545 -1.029 -3.474 61 1HG2 VAL 8 1HG2 VAL 8 -5.581 1.546 -4.774 62 2HG2 VAL 8 2HG2 VAL 8 -5.197 1.163 -3.096 63 3HG2 VAL 8 3HG2 VAL 8 -5.265 -0.123 -4.301 64 H VAL 9 H VAL 9 -7.912 3.052 -6.661 65 HA VAL 9 HA VAL 9 -7.035 0.964 -8.589 66 HB VAL 9 HB VAL 9 -7.930 3.807 -9.141 67 1HG1 VAL 9 1HG1 VAL 9 -7.067 1.484 -10.774 68 2HG1 VAL 9 2HG1 VAL 9 -8.498 2.338 -11.353 69 3HG1 VAL 9 3HG1 VAL 9 -6.980 3.209 -11.134 70 1HG2 VAL 9 1HG2 VAL 9 -9.546 1.997 -8.012 71 2HG2 VAL 9 2HG2 VAL 9 -10.121 3.076 -9.284 72 3HG2 VAL 9 3HG2 VAL 9 -9.653 1.422 -9.676 73 H SER 10 H SER 10 -5.224 1.416 -10.014 74 HA SER 10 HA SER 10 -3.329 3.450 -8.906 75 1HB SER 10 1HB SER 10 -1.581 1.934 -8.949 76 2HB SER 10 2HB SER 10 -2.912 0.835 -8.596 77 HG SER 10 HG SER 10 -2.258 -0.118 -10.357 78 H ALA 11 H ALA 11 -1.388 2.703 -11.030 79 HA ALA 11 HA ALA 11 -2.021 4.622 -12.984 80 1HB ALA 11 1HB ALA 11 -0.192 2.243 -12.930 81 2HB ALA 11 2HB ALA 11 -0.432 3.102 -14.451 82 3HB ALA 11 3HB ALA 11 0.211 3.956 -13.048 83 H GLU 12 H GLU 12 -2.785 1.160 -12.907 84 HA GLU 12 HA GLU 12 -5.118 1.441 -14.518 85 1HB GLU 12 1HB GLU 12 -4.212 0.193 -16.558 86 2HB GLU 12 2HB GLU 12 -3.716 1.879 -16.408 87 1HG GLU 12 1HG GLU 12 -1.536 1.339 -15.894 88 2HG GLU 12 2HG GLU 12 -1.986 -0.177 -15.112 89 H GLN 13 H GLN 13 -4.099 0.043 -12.144 90 HA GLN 13 HA GLN 13 -4.879 -2.722 -12.950 91 1HB GLN 13 1HB GLN 13 -2.438 -1.822 -11.485 92 2HB GLN 13 2HB GLN 13 -3.206 -3.318 -10.952 93 1HG GLN 13 1HG GLN 13 -2.832 -4.393 -12.990 94 2HG GLN 13 2HG GLN 13 -2.711 -2.877 -13.882 95 1HE2 GLN 13 2HE2 GLN 13 -1.001 -3.664 -10.835 96 2HE2 GLN 13 1HE2 GLN 13 0.557 -3.582 -11.505 97 H GLN 14 H GLN 14 -6.932 -1.543 -12.102 98 HA GLN 14 HA GLN 14 -7.424 -0.753 -9.495 99 1HB GLN 14 1HB GLN 14 -9.113 -0.902 -11.364 100 2HB GLN 14 2HB GLN 14 -9.231 -2.632 -11.042 101 1HG GLN 14 1HG GLN 14 -9.816 -2.066 -8.654 102 2HG GLN 14 2HG GLN 14 -9.897 -0.371 -9.137 103 1HE2 GLN 14 2HE2 GLN 14 -11.469 0.091 -11.022 104 2HE2 GLN 14 1HE2 GLN 14 -12.891 -0.832 -11.096 105 H MET 15 H MET 15 -8.149 -1.899 -7.575 106 HA MET 15 HA MET 15 -7.413 -4.790 -7.497 107 1HB MET 15 1HB MET 15 -6.583 -2.669 -5.494 108 2HB MET 15 2HB MET 15 -6.357 -4.403 -5.269 109 1HG MET 15 1HG MET 15 -5.334 -3.117 -7.777 110 2HG MET 15 2HG MET 15 -4.411 -2.939 -6.286 111 1HE MET 15 1HE MET 15 -2.657 -3.848 -6.269 112 2HE MET 15 2HE MET 15 -2.260 -5.569 -6.172 113 3HE MET 15 3HE MET 15 -2.236 -4.742 -7.727 114 H PHE 16 H PHE 16 -8.183 -3.004 -4.588 115 HA PHE 16 HA PHE 16 -10.506 -4.669 -4.125 116 1HB PHE 16 1HB PHE 16 -9.068 -3.610 -2.299 117 2HB PHE 16 2HB PHE 16 -9.855 -2.078 -2.686 118 HD1 PHE 16 HD1 PHE 16 -12.532 -2.290 -2.921 119 HD2 PHE 16 HD2 PHE 16 -10.046 -4.868 -0.562 120 HE1 PHE 16 HE1 PHE 16 -14.484 -2.962 -1.614 121 HE2 PHE 16 HE2 PHE 16 -12.015 -5.555 0.758 122 HZ PHE 16 HZ PHE 16 -14.237 -4.613 0.236 123 H SER 17 H SER 17 -12.599 -4.277 -4.727 124 HA SER 17 HA SER 17 -13.518 -1.545 -5.254 125 1HB SER 17 1HB SER 17 -13.818 -1.673 -7.547 126 2HB SER 17 2HB SER 17 -12.332 -2.602 -7.377 127 HG SER 17 HG SER 17 -13.450 -4.452 -7.617 128 H GLY 18 H GLY 18 -15.361 -1.643 -4.083 129 1HA GLY 18 1HA GLY 18 -17.772 -2.577 -4.573 130 2HA GLY 18 2HA GLY 18 -17.012 -4.120 -4.173 131 H LEU 19 H LEU 19 -18.579 -4.167 -2.331 132 HA LEU 19 HA LEU 19 -18.693 -2.265 -0.254 133 1HB LEU 19 1HB LEU 19 -19.617 -3.985 1.103 134 2HB LEU 19 2HB LEU 19 -20.064 -4.426 -0.544 135 HG LEU 19 HG LEU 19 -17.890 -5.612 1.183 136 1HD1 LEU 19 1HD1 LEU 19 -20.195 -6.553 1.273 137 2HD1 LEU 19 2HD1 LEU 19 -20.114 -6.851 -0.464 138 3HD1 LEU 19 3HD1 LEU 19 -19.024 -7.704 0.630 139 1HD2 LEU 19 1HD2 LEU 19 -16.916 -5.107 -1.040 140 2HD2 LEU 19 2HD2 LEU 19 -17.121 -6.846 -0.816 141 3HD2 LEU 19 3HD2 LEU 19 -18.264 -5.944 -1.811 142 H VAL 20 H VAL 20 -17.781 -3.389 2.127 143 HA VAL 20 HA VAL 20 -15.234 -4.507 2.240 144 HB VAL 20 HB VAL 20 -14.119 -2.873 1.055 145 1HG1 VAL 20 1HG1 VAL 20 -16.363 -1.157 1.882 146 2HG1 VAL 20 2HG1 VAL 20 -14.835 -0.361 1.512 147 3HG1 VAL 20 3HG1 VAL 20 -15.609 -1.378 0.305 148 1HG2 VAL 20 1HG2 VAL 20 -14.246 -1.815 3.859 149 2HG2 VAL 20 2HG2 VAL 20 -12.970 -2.796 3.103 150 3HG2 VAL 20 3HG2 VAL 20 -13.207 -1.115 2.607 151 H GLU 21 H GLU 21 -14.235 -4.120 4.477 152 HA GLU 21 HA GLU 21 -16.283 -2.940 6.308 153 1HB GLU 21 1HB GLU 21 -16.204 -5.532 6.163 154 2HB GLU 21 2HB GLU 21 -14.699 -5.385 7.072 155 1HG GLU 21 1HG GLU 21 -16.514 -3.680 8.373 156 2HG GLU 21 2HG GLU 21 -17.429 -5.145 8.016 157 H LYS 22 H LYS 22 -12.855 -3.803 5.857 158 HA LYS 22 HA LYS 22 -12.157 -1.479 7.524 159 1HB LYS 22 1HB LYS 22 -12.038 -4.233 8.510 160 2HB LYS 22 2HB LYS 22 -10.496 -3.387 8.640 161 1HG LYS 22 1HG LYS 22 -12.347 -1.483 9.457 162 2HG LYS 22 2HG LYS 22 -12.966 -2.981 10.150 163 1HD LYS 22 1HD LYS 22 -10.215 -1.777 10.524 164 2HD LYS 22 2HD LYS 22 -11.439 -2.071 11.761 165 1HE LYS 22 1HE LYS 22 -11.257 -4.558 11.056 166 2HE LYS 22 2HE LYS 22 -9.748 -4.080 10.278 167 1HZ LYS 22 1HZ LYS 22 -10.317 -3.384 13.092 168 2HZ LYS 22 2HZ LYS 22 -9.639 -4.886 12.675 169 3HZ LYS 22 3HZ LYS 22 -8.817 -3.452 12.298 170 H ILE 23 H ILE 23 -11.083 -0.658 5.680 171 HA ILE 23 HA ILE 23 -8.823 -2.283 4.588 172 HB ILE 23 HB ILE 23 -9.972 -1.362 2.763 173 1HG1 ILE 23 1HG1 ILE 23 -8.002 0.828 3.496 174 2HG1 ILE 23 2HG1 ILE 23 -7.574 -0.687 2.702 175 1HG2 ILE 23 1HG2 ILE 23 -10.565 0.834 4.677 176 2HG2 ILE 23 2HG2 ILE 23 -10.543 1.243 2.965 177 3HG2 ILE 23 3HG2 ILE 23 -11.641 -0.003 3.562 178 1HD1 ILE 23 1HD1 ILE 23 -9.781 0.576 1.323 179 2HD1 ILE 23 2HD1 ILE 23 -8.426 1.695 1.460 180 3HD1 ILE 23 3HD1 ILE 23 -8.197 0.123 0.696 181 H GLN 24 H GLN 24 -6.644 -1.258 4.618 182 HA GLN 24 HA GLN 24 -6.329 1.214 6.182 183 1HB GLN 24 1HB GLN 24 -6.505 -0.343 8.009 184 2HB GLN 24 2HB GLN 24 -5.398 -1.471 7.225 185 1HG GLN 24 1HG GLN 24 -3.638 -0.427 8.155 186 2HG GLN 24 2HG GLN 24 -4.123 1.095 7.409 187 1HE2 GLN 24 2HE2 GLN 24 -3.235 0.160 10.317 188 2HE2 GLN 24 1HE2 GLN 24 -4.345 0.976 11.309 189 H VAL 25 H VAL 25 -4.501 2.281 5.544 190 HA VAL 25 HA VAL 25 -2.621 0.781 3.773 191 HB VAL 25 HB VAL 25 -2.677 3.774 3.909 192 1HG1 VAL 25 1HG1 VAL 25 -1.604 1.671 2.225 193 2HG1 VAL 25 2HG1 VAL 25 -2.587 2.786 1.277 194 3HG1 VAL 25 3HG1 VAL 25 -1.229 3.395 2.224 195 1HG2 VAL 25 1HG2 VAL 25 -4.910 2.039 3.086 196 2HG2 VAL 25 2HG2 VAL 25 -4.900 3.768 3.435 197 3HG2 VAL 25 3HG2 VAL 25 -4.407 3.187 1.845 198 H THR 26 H THR 26 -0.549 0.521 4.473 199 HA THR 26 HA THR 26 0.269 2.010 6.927 200 HB THR 26 HB THR 26 1.176 -0.630 5.756 201 HG1 THR 26 HG1 THR 26 -0.726 -0.086 7.336 202 1HG2 THR 26 1HG2 THR 26 3.114 0.690 6.599 203 2HG2 THR 26 2HG2 THR 26 2.303 0.833 8.159 204 3HG2 THR 26 3HG2 THR 26 2.803 -0.751 7.567 205 H GLY 27 H GLY 27 1.542 3.731 6.457 206 1HA GLY 27 1HA GLY 27 3.750 3.346 4.499 207 2HA GLY 27 2HA GLY 27 2.680 4.736 4.299 208 H SER 28 H SER 28 3.595 6.550 5.096 209 HA SER 28 HA SER 28 5.138 6.325 7.649 210 1HB SER 28 1HB SER 28 6.841 6.829 6.133 211 2HB SER 28 2HB SER 28 5.777 7.776 5.098 212 HG SER 28 HG SER 28 7.370 8.867 6.611 213 H GLU 29 H GLU 29 4.604 7.835 9.214 214 HA GLU 29 HA GLU 29 3.180 9.371 10.289 215 1HB GLU 29 1HB GLU 29 4.689 10.654 8.332 216 2HB GLU 29 2HB GLU 29 3.047 11.222 8.031 217 1HG GLU 29 1HG GLU 29 2.815 11.953 10.331 218 2HG GLU 29 2HG GLU 29 4.370 11.238 10.758 219 H GLY 30 H GLY 30 1.357 7.827 10.025 220 1HA GLY 30 1HA GLY 30 -1.099 8.462 9.655 221 2HA GLY 30 2HA GLY 30 -0.624 8.741 7.978 222 H GLU 31 H GLU 31 -1.849 6.437 10.108 223 HA GLU 31 HA GLU 31 -1.266 4.285 8.120 224 1HB GLU 31 1HB GLU 31 0.089 4.042 10.232 225 2HB GLU 31 2HB GLU 31 -1.426 3.879 11.118 226 1HG GLU 31 1HG GLU 31 -1.637 1.722 10.502 227 2HG GLU 31 2HG GLU 31 -1.393 2.129 8.803 228 H LEU 32 H LEU 32 -3.534 5.511 7.648 229 HA LEU 32 HA LEU 32 -5.600 3.717 8.841 230 1HB LEU 32 1HB LEU 32 -5.589 6.705 8.727 231 2HB LEU 32 2HB LEU 32 -7.125 5.877 8.435 232 HG LEU 32 HG LEU 32 -5.830 4.644 10.680 233 1HD1 LEU 32 1HD1 LEU 32 -4.824 7.101 10.609 234 2HD1 LEU 32 2HD1 LEU 32 -6.397 7.521 11.287 235 3HD1 LEU 32 3HD1 LEU 32 -5.346 6.386 12.134 236 1HD2 LEU 32 1HD2 LEU 32 -8.309 4.882 10.008 237 2HD2 LEU 32 2HD2 LEU 32 -7.928 5.065 11.721 238 3HD2 LEU 32 3HD2 LEU 32 -8.223 6.491 10.727 239 H GLY 33 H GLY 33 -7.057 2.931 7.355 240 1HA GLY 33 1HA GLY 33 -6.597 3.715 4.523 241 2HA GLY 33 2HA GLY 33 -7.380 2.222 5.052 242 H ILE 34 H ILE 34 -9.588 2.228 5.388 243 HA ILE 34 HA ILE 34 -11.021 4.762 5.712 244 HB ILE 34 HB ILE 34 -11.370 3.071 3.219 245 1HG1 ILE 34 1HG1 ILE 34 -9.582 4.816 3.188 246 2HG1 ILE 34 2HG1 ILE 34 -10.903 5.194 2.081 247 1HG2 ILE 34 1HG2 ILE 34 -13.550 3.722 4.259 248 2HG2 ILE 34 2HG2 ILE 34 -13.034 5.406 4.218 249 3HG2 ILE 34 3HG2 ILE 34 -13.275 4.523 2.713 250 1HD1 ILE 34 1HD1 ILE 34 -11.943 6.547 3.963 251 2HD1 ILE 34 2HD1 ILE 34 -10.414 6.366 4.828 252 3HD1 ILE 34 3HD1 ILE 34 -10.458 7.218 3.283 253 H TYR 35 H TYR 35 -13.226 4.424 6.350 254 HA TYR 35 HA TYR 35 -14.214 1.678 6.656 255 1HB TYR 35 1HB TYR 35 -14.114 3.223 9.208 256 2HB TYR 35 2HB TYR 35 -14.068 1.483 8.951 257 HD1 TYR 35 HD1 TYR 35 -11.986 4.561 8.336 258 HD2 TYR 35 HD2 TYR 35 -12.065 0.340 9.147 259 HE1 TYR 35 HE1 TYR 35 -9.519 4.556 8.569 260 HE2 TYR 35 HE2 TYR 35 -9.597 0.340 9.376 261 HH TYR 35 HH TYR 35 -7.821 2.581 10.050 262 HA PRO 36 HA PRO 36 -18.067 3.811 6.760 263 1HB PRO 36 1HB PRO 36 -19.495 2.649 8.804 264 2HB PRO 36 2HB PRO 36 -19.156 1.840 7.263 265 1HG PRO 36 1HG PRO 36 -17.953 1.347 9.937 266 2HG PRO 36 2HG PRO 36 -18.080 0.258 8.547 267 1HD PRO 36 1HD PRO 36 -15.773 1.704 9.366 268 2HD PRO 36 2HD PRO 36 -15.962 0.790 7.855 269 H GLY 37 H GLY 37 -16.649 5.716 7.669 270 1HA GLY 37 1HA GLY 37 -17.717 7.615 9.057 271 2HA GLY 37 2HA GLY 37 -17.577 6.480 10.401 272 H HIS 38 H HIS 38 -15.188 6.870 7.814 273 HA HIS 38 HA HIS 38 -13.048 7.153 9.745 274 1HB HIS 38 1HB HIS 38 -12.708 6.105 7.528 275 2HB HIS 38 2HB HIS 38 -13.041 7.653 6.754 276 HD1 HIS 38 HD1 HIS 38 -10.806 8.428 5.922 277 HD2 HIS 38 HD2 HIS 38 -10.602 7.020 9.841 278 HE1 HIS 38 HE1 HIS 38 -8.453 8.899 6.732 279 H ALA 39 H ALA 39 -13.714 9.401 7.057 280 HA ALA 39 HA ALA 39 -14.384 11.708 8.473 281 1HB ALA 39 1HB ALA 39 -11.526 10.968 8.749 282 2HB ALA 39 2HB ALA 39 -11.836 12.651 8.324 283 3HB ALA 39 3HB ALA 39 -12.534 11.970 9.793 284 HA PRO 40 HA PRO 40 -14.135 13.354 4.411 285 1HB PRO 40 1HB PRO 40 -13.809 16.033 4.939 286 2HB PRO 40 2HB PRO 40 -15.338 15.168 5.175 287 1HG PRO 40 1HG PRO 40 -13.380 16.111 7.219 288 2HG PRO 40 2HG PRO 40 -15.125 15.841 7.376 289 1HD PRO 40 1HD PRO 40 -13.092 14.099 8.291 290 2HD PRO 40 2HD PRO 40 -14.816 13.698 8.128 291 H LEU 41 H LEU 41 -11.951 12.269 4.088 292 HA LEU 41 HA LEU 41 -9.620 14.070 4.367 293 1HB LEU 41 1HB LEU 41 -9.988 11.155 3.733 294 2HB LEU 41 2HB LEU 41 -8.473 11.956 3.319 295 HG LEU 41 HG LEU 41 -8.263 10.982 5.540 296 1HD1 LEU 41 1HD1 LEU 41 -7.785 13.645 4.910 297 2HD1 LEU 41 2HD1 LEU 41 -8.640 13.738 6.451 298 3HD1 LEU 41 3HD1 LEU 41 -7.156 12.793 6.321 299 1HD2 LEU 41 1HD2 LEU 41 -10.978 11.593 5.742 300 2HD2 LEU 41 2HD2 LEU 41 -9.962 10.952 7.034 301 3HD2 LEU 41 3HD2 LEU 41 -10.210 12.692 6.888 302 H LEU 42 H LEU 42 -8.726 15.146 2.672 303 HA LEU 42 HA LEU 42 -9.500 14.363 -0.096 304 1HB LEU 42 1HB LEU 42 -10.511 16.638 1.268 305 2HB LEU 42 2HB LEU 42 -9.325 17.233 0.105 306 HG LEU 42 HG LEU 42 -11.678 15.418 -0.498 307 1HD1 LEU 42 1HD1 LEU 42 -11.742 18.097 -0.164 308 2HD1 LEU 42 2HD1 LEU 42 -11.239 18.030 -1.853 309 3HD1 LEU 42 3HD1 LEU 42 -12.745 17.262 -1.351 310 1HD2 LEU 42 1HD2 LEU 42 -9.305 15.265 -1.767 311 2HD2 LEU 42 2HD2 LEU 42 -10.839 15.084 -2.618 312 3HD2 LEU 42 3HD2 LEU 42 -9.996 16.633 -2.640 313 H THR 43 H THR 43 -7.086 13.670 0.900 314 HA THR 43 HA THR 43 -5.238 15.692 -0.300 315 HB THR 43 HB THR 43 -3.574 15.140 1.362 316 HG1 THR 43 HG1 THR 43 -4.195 13.597 3.015 317 1HG2 THR 43 1HG2 THR 43 -6.248 16.043 2.106 318 2HG2 THR 43 2HG2 THR 43 -5.378 15.338 3.469 319 3HG2 THR 43 3HG2 THR 43 -4.677 16.690 2.578 320 H ALA 44 H ALA 44 -3.112 13.499 0.379 321 HA ALA 44 HA ALA 44 -3.566 11.996 -2.145 322 1HB ALA 44 1HB ALA 44 -1.283 13.197 -0.942 323 2HB ALA 44 2HB ALA 44 -1.006 11.456 -0.970 324 3HB ALA 44 3HB ALA 44 -1.363 12.317 -2.467 325 H ILE 45 H ILE 45 -1.922 9.785 -1.608 326 HA ILE 45 HA ILE 45 -3.431 8.430 0.593 327 HB ILE 45 HB ILE 45 -3.949 7.764 -1.850 328 1HG1 ILE 45 1HG1 ILE 45 -3.118 5.248 -0.674 329 2HG1 ILE 45 2HG1 ILE 45 -3.809 6.307 0.556 330 1HG2 ILE 45 1HG2 ILE 45 -1.328 7.709 -2.243 331 2HG2 ILE 45 2HG2 ILE 45 -1.492 6.060 -1.641 332 3HG2 ILE 45 3HG2 ILE 45 -2.383 6.567 -3.076 333 1HD1 ILE 45 1HD1 ILE 45 -5.271 6.235 -2.018 334 2HD1 ILE 45 2HD1 ILE 45 -5.308 4.739 -1.087 335 3HD1 ILE 45 3HD1 ILE 45 -5.895 6.238 -0.369 336 H LYS 46 H LYS 46 -2.195 7.337 2.086 337 HA LYS 46 HA LYS 46 0.604 7.824 2.264 338 1HB LYS 46 1HB LYS 46 -1.083 5.678 3.585 339 2HB LYS 46 2HB LYS 46 0.563 6.093 4.062 340 1HG LYS 46 1HG LYS 46 -0.581 7.466 5.517 341 2HG LYS 46 2HG LYS 46 -0.492 8.553 4.131 342 1HD LYS 46 1HD LYS 46 -2.729 8.498 3.830 343 2HD LYS 46 2HD LYS 46 -2.768 6.738 3.941 344 1HE LYS 46 1HE LYS 46 -3.448 6.800 6.093 345 2HE LYS 46 2HE LYS 46 -2.211 7.982 6.522 346 1HZ LYS 46 1HZ LYS 46 -4.217 9.152 4.889 347 2HZ LYS 46 2HZ LYS 46 -4.913 8.434 6.263 348 3HZ LYS 46 3HZ LYS 46 -3.696 9.606 6.438 349 HA PRO 47 HA PRO 47 2.018 4.674 -0.531 350 1HB PRO 47 1HB PRO 47 4.697 5.021 -0.022 351 2HB PRO 47 2HB PRO 47 3.747 6.111 -1.048 352 1HG PRO 47 1HG PRO 47 4.760 6.550 1.720 353 2HG PRO 47 2HG PRO 47 4.370 7.739 0.465 354 1HD PRO 47 1HD PRO 47 2.743 7.066 2.692 355 2HD PRO 47 2HD PRO 47 2.248 8.025 1.281 356 H GLY 48 H GLY 48 3.180 2.585 -0.379 357 1HA GLY 48 1HA GLY 48 4.536 1.119 1.211 358 2HA GLY 48 2HA GLY 48 3.370 1.606 2.443 359 H MET 49 H MET 49 2.451 -0.417 2.839 360 HA MET 49 HA MET 49 1.219 -1.806 0.495 361 1HB MET 49 1HB MET 49 1.135 -3.799 1.949 362 2HB MET 49 2HB MET 49 2.782 -3.180 1.830 363 1HG MET 49 1HG MET 49 2.829 -3.072 4.078 364 2HG MET 49 2HG MET 49 1.619 -1.793 3.984 365 1HE MET 49 1HE MET 49 2.551 -5.172 5.155 366 2HE MET 49 2HE MET 49 1.121 -6.194 5.032 367 3HE MET 49 3HE MET 49 1.955 -5.681 3.568 368 H ILE 50 H ILE 50 -0.811 -3.208 1.653 369 HA ILE 50 HA ILE 50 -2.362 -1.519 3.462 370 HB ILE 50 HB ILE 50 -2.755 -0.285 1.429 371 1HG1 ILE 50 1HG1 ILE 50 -5.003 -2.153 2.218 372 2HG1 ILE 50 2HG1 ILE 50 -4.766 -0.473 2.695 373 1HG2 ILE 50 1HG2 ILE 50 -3.386 -2.996 0.224 374 2HG2 ILE 50 2HG2 ILE 50 -3.654 -1.456 -0.591 375 3HG2 ILE 50 3HG2 ILE 50 -2.015 -1.960 -0.178 376 1HD1 ILE 50 1HD1 ILE 50 -5.297 -1.393 -0.140 377 2HD1 ILE 50 2HD1 ILE 50 -6.524 -0.737 0.943 378 3HD1 ILE 50 3HD1 ILE 50 -5.180 0.276 0.415 379 H ARG 51 H ARG 51 -3.997 -2.702 4.435 380 HA ARG 51 HA ARG 51 -4.613 -5.396 3.306 381 1HB ARG 51 1HB ARG 51 -3.009 -5.109 5.478 382 2HB ARG 51 2HB ARG 51 -4.588 -5.122 6.265 383 1HG ARG 51 1HG ARG 51 -4.342 -7.167 4.181 384 2HG ARG 51 2HG ARG 51 -3.169 -7.370 5.481 385 1HD ARG 51 1HD ARG 51 -5.818 -6.684 6.498 386 2HD ARG 51 2HD ARG 51 -5.839 -8.169 5.549 387 HE ARG 51 HE ARG 51 -3.857 -8.855 7.088 388 1HH1 ARG 51 1HH1 ARG 51 -6.961 -8.052 7.945 389 2HH1 ARG 51 2HH1 ARG 51 -6.644 -7.822 9.633 390 1HH2 ARG 51 1HH2 ARG 51 -3.199 -7.990 9.280 391 2HH2 ARG 51 2HH2 ARG 51 -4.514 -7.788 10.388 392 H ILE 52 H ILE 52 -6.808 -5.940 3.451 393 HA ILE 52 HA ILE 52 -8.537 -4.034 4.963 394 HB ILE 52 HB ILE 52 -9.277 -5.206 2.296 395 1HG1 ILE 52 1HG1 ILE 52 -8.316 -2.389 2.701 396 2HG1 ILE 52 2HG1 ILE 52 -7.193 -3.687 2.307 397 1HG2 ILE 52 1HG2 ILE 52 -10.445 -3.184 4.159 398 2HG2 ILE 52 2HG2 ILE 52 -10.733 -3.022 2.427 399 3HG2 ILE 52 3HG2 ILE 52 -11.249 -4.480 3.272 400 1HD1 ILE 52 1HD1 ILE 52 -9.680 -3.141 0.676 401 2HD1 ILE 52 2HD1 ILE 52 -8.124 -2.393 0.315 402 3HD1 ILE 52 3HD1 ILE 52 -8.298 -4.147 0.239 403 H VAL 53 H VAL 53 -10.857 -5.017 5.142 404 HA VAL 53 HA VAL 53 -10.727 -7.978 5.380 405 HB VAL 53 HB VAL 53 -11.467 -6.001 7.546 406 1HG1 VAL 53 1HG1 VAL 53 -12.129 -8.939 7.277 407 2HG1 VAL 53 2HG1 VAL 53 -12.109 -8.109 8.832 408 3HG1 VAL 53 3HG1 VAL 53 -13.239 -7.603 7.576 409 1HG2 VAL 53 1HG2 VAL 53 -9.310 -7.978 7.036 410 2HG2 VAL 53 2HG2 VAL 53 -9.262 -6.472 7.954 411 3HG2 VAL 53 3HG2 VAL 53 -9.936 -7.930 8.684 412 H LYS 54 H LYS 54 -12.265 -8.478 3.886 413 HA LYS 54 HA LYS 54 -14.890 -8.705 4.146 414 1HB LYS 54 1HB LYS 54 -15.297 -6.422 4.826 415 2HB LYS 54 2HB LYS 54 -14.469 -5.797 3.399 416 1HG LYS 54 1HG LYS 54 -16.390 -5.918 2.228 417 2HG LYS 54 2HG LYS 54 -16.484 -7.648 2.549 418 1HD LYS 54 1HD LYS 54 -17.320 -5.635 4.632 419 2HD LYS 54 2HD LYS 54 -18.440 -6.164 3.377 420 1HE LYS 54 1HE LYS 54 -17.443 -8.562 4.207 421 2HE LYS 54 2HE LYS 54 -17.391 -7.645 5.713 422 1HZ LYS 54 1HZ LYS 54 -19.720 -7.054 5.373 423 2HZ LYS 54 2HZ LYS 54 -19.759 -7.984 3.952 424 3HZ LYS 54 3HZ LYS 54 -19.517 -8.736 5.455 425 H GLN 55 H GLN 55 -14.475 -6.387 1.576 426 HA GLN 55 HA GLN 55 -14.627 -6.777 -0.747 427 1HB GLN 55 1HB GLN 55 -12.145 -7.337 0.111 428 2HB GLN 55 2HB GLN 55 -12.590 -8.941 -0.473 429 1HG GLN 55 1HG GLN 55 -13.493 -7.289 -2.499 430 2HG GLN 55 2HG GLN 55 -11.995 -6.505 -1.993 431 1HE2 GLN 55 2HE2 GLN 55 -11.730 -7.519 -4.458 432 2HE2 GLN 55 1HE2 GLN 55 -10.915 -9.009 -4.469 433 H HIS 56 H HIS 56 -14.077 -9.226 -2.153 434 HA HIS 56 HA HIS 56 -16.630 -10.586 -1.684 435 1HB HIS 56 1HB HIS 56 -15.752 -10.148 -3.983 436 2HB HIS 56 2HB HIS 56 -14.421 -11.257 -3.653 437 HD1 HIS 56 HD1 HIS 56 -14.904 -13.433 -4.758 438 HD2 HIS 56 HD2 HIS 56 -18.350 -11.759 -3.117 439 HE1 HIS 56 HE1 HIS 56 -16.768 -15.099 -5.157 440 H GLY 57 H GLY 57 -13.340 -11.008 -0.752 441 1HA GLY 57 1HA GLY 57 -13.850 -13.854 -0.020 442 2HA GLY 57 2HA GLY 57 -12.253 -13.110 -0.125 443 H HIS 58 H HIS 58 -11.543 -13.405 1.986 444 HA HIS 58 HA HIS 58 -13.242 -12.170 4.120 445 1HB HIS 58 1HB HIS 58 -11.858 -14.739 3.981 446 2HB HIS 58 2HB HIS 58 -11.385 -13.807 5.401 447 HD1 HIS 58 HD1 HIS 58 -13.475 -12.856 6.873 448 HD2 HIS 58 HD2 HIS 58 -14.341 -15.956 4.223 449 HE1 HIS 58 HE1 HIS 58 -15.702 -13.819 7.599 450 H GLU 59 H GLU 59 -10.152 -12.239 2.541 451 HA GLU 59 HA GLU 59 -9.308 -9.933 4.201 452 1HB GLU 59 1HB GLU 59 -7.892 -12.573 4.016 453 2HB GLU 59 2HB GLU 59 -6.938 -11.096 4.165 454 1HG GLU 59 1HG GLU 59 -8.748 -10.613 6.092 455 2HG GLU 59 2HG GLU 59 -8.769 -12.377 6.134 456 H GLU 60 H GLU 60 -8.562 -8.367 2.850 457 HA GLU 60 HA GLU 60 -7.755 -9.180 0.095 458 1HB GLU 60 1HB GLU 60 -9.161 -6.863 1.246 459 2HB GLU 60 2HB GLU 60 -7.912 -6.428 0.080 460 1HG GLU 60 1HG GLU 60 -10.102 -8.465 -0.420 461 2HG GLU 60 2HG GLU 60 -10.127 -6.799 -1.001 462 H PHE 61 H PHE 61 -5.708 -8.596 -0.692 463 HA PHE 61 HA PHE 61 -3.930 -7.124 1.202 464 1HB PHE 61 1HB PHE 61 -3.726 -9.897 0.371 465 2HB PHE 61 2HB PHE 61 -2.298 -8.987 -0.124 466 HD1 PHE 61 HD1 PHE 61 -4.433 -9.891 2.780 467 HD2 PHE 61 HD2 PHE 61 -0.725 -8.164 1.475 468 HE1 PHE 61 HE1 PHE 61 -3.603 -9.910 5.117 469 HE2 PHE 61 HE2 PHE 61 0.108 -8.183 3.811 470 HZ PHE 61 HZ PHE 61 -1.333 -9.054 5.633 471 H ILE 62 H ILE 62 -3.566 -5.273 0.053 472 HA ILE 62 HA ILE 62 -2.628 -5.598 -2.770 473 HB ILE 62 HB ILE 62 -3.881 -3.030 -1.880 474 1HG1 ILE 62 1HG1 ILE 62 -6.053 -4.231 -2.891 475 2HG1 ILE 62 2HG1 ILE 62 -5.280 -5.652 -2.187 476 1HG2 ILE 62 1HG2 ILE 62 -2.997 -4.274 -4.304 477 2HG2 ILE 62 2HG2 ILE 62 -4.733 -3.992 -4.428 478 3HG2 ILE 62 3HG2 ILE 62 -3.645 -2.649 -4.085 479 1HD1 ILE 62 1HD1 ILE 62 -5.140 -3.436 -0.338 480 2HD1 ILE 62 2HD1 ILE 62 -6.811 -3.702 -0.836 481 3HD1 ILE 62 3HD1 ILE 62 -5.886 -5.019 -0.114 482 H TYR 63 H TYR 63 -1.731 -2.988 -3.163 483 HA TYR 63 HA TYR 63 -0.162 -1.985 -0.979 484 1HB TYR 63 1HB TYR 63 1.487 -3.542 -0.993 485 2HB TYR 63 2HB TYR 63 0.946 -4.217 -2.524 486 HD1 TYR 63 HD1 TYR 63 1.615 -3.064 -4.679 487 HD2 TYR 63 HD2 TYR 63 3.363 -2.079 -0.884 488 HE1 TYR 63 HE1 TYR 63 3.518 -1.993 -5.842 489 HE2 TYR 63 HE2 TYR 63 5.271 -1.001 -2.045 490 HH TYR 63 HH TYR 63 6.042 -1.506 -5.164 491 H LEU 64 H LEU 64 0.190 0.112 -1.487 492 HA LEU 64 HA LEU 64 0.357 0.839 -4.385 493 1HB LEU 64 1HB LEU 64 -0.732 2.543 -2.123 494 2HB LEU 64 2HB LEU 64 -0.747 2.940 -3.842 495 HG LEU 64 HG LEU 64 -1.973 0.339 -3.117 496 1HD1 LEU 64 1HD1 LEU 64 -2.629 2.554 -1.548 497 2HD1 LEU 64 2HD1 LEU 64 -3.891 2.511 -2.780 498 3HD1 LEU 64 3HD1 LEU 64 -3.607 1.101 -1.757 499 1HD2 LEU 64 1HD2 LEU 64 -1.874 2.006 -5.327 500 2HD2 LEU 64 2HD2 LEU 64 -3.014 0.679 -5.105 501 3HD2 LEU 64 3HD2 LEU 64 -3.480 2.324 -4.670 502 H SER 65 H SER 65 1.250 3.368 -4.280 503 HA SER 65 HA SER 65 3.488 3.588 -2.377 504 1HB SER 65 1HB SER 65 5.236 3.524 -3.969 505 2HB SER 65 2HB SER 65 4.211 2.164 -4.419 506 HG SER 65 HG SER 65 4.519 4.678 -5.636 507 H GLY 66 H GLY 66 1.082 5.129 -2.959 508 1HA GLY 66 1HA GLY 66 1.310 7.640 -2.579 509 2HA GLY 66 2HA GLY 66 2.315 7.636 -4.029 510 H GLY 67 H GLY 67 0.170 9.279 -4.126 511 1HA GLY 67 1HA GLY 67 -1.186 9.137 -6.356 512 2HA GLY 67 2HA GLY 67 -1.975 7.778 -5.554 513 H ILE 68 H ILE 68 -3.938 9.192 -5.883 514 HA ILE 68 HA ILE 68 -4.110 11.331 -3.803 515 HB ILE 68 HB ILE 68 -4.616 12.047 -6.128 516 1HG1 ILE 68 1HG1 ILE 68 -7.045 11.934 -4.310 517 2HG1 ILE 68 2HG1 ILE 68 -5.751 13.127 -4.206 518 1HG2 ILE 68 1HG2 ILE 68 -5.638 9.617 -6.533 519 2HG2 ILE 68 2HG2 ILE 68 -7.131 10.432 -6.072 520 3HG2 ILE 68 3HG2 ILE 68 -6.202 11.011 -7.454 521 1HD1 ILE 68 1HD1 ILE 68 -7.323 12.701 -6.750 522 2HD1 ILE 68 2HD1 ILE 68 -7.859 13.825 -5.500 523 3HD1 ILE 68 3HD1 ILE 68 -6.312 14.079 -6.309 524 H LEU 69 H LEU 69 -6.029 11.368 -2.465 525 HA LEU 69 HA LEU 69 -7.578 8.820 -2.422 526 1HB LEU 69 1HB LEU 69 -6.070 8.427 -0.660 527 2HB LEU 69 2HB LEU 69 -6.035 10.123 -0.185 528 HG LEU 69 HG LEU 69 -8.627 8.623 -0.014 529 1HD1 LEU 69 1HD1 LEU 69 -6.476 7.482 1.147 530 2HD1 LEU 69 2HD1 LEU 69 -6.877 8.662 2.394 531 3HD1 LEU 69 3HD1 LEU 69 -8.073 7.468 1.893 532 1HD2 LEU 69 1HD2 LEU 69 -7.486 11.157 0.831 533 2HD2 LEU 69 2HD2 LEU 69 -9.175 10.649 0.819 534 3HD2 LEU 69 3HD2 LEU 69 -8.153 10.280 2.209 535 H GLU 70 H GLU 70 -9.753 9.178 -2.213 536 HA GLU 70 HA GLU 70 -10.655 11.807 -1.132 537 1HB GLU 70 1HB GLU 70 -12.084 10.607 -3.483 538 2HB GLU 70 2HB GLU 70 -12.001 12.292 -2.970 539 1HG GLU 70 1HG GLU 70 -9.774 12.538 -3.791 540 2HG GLU 70 2HG GLU 70 -9.580 10.795 -3.991 541 H VAL 71 H VAL 71 -12.319 11.557 0.314 542 HA VAL 71 HA VAL 71 -13.490 8.829 0.551 543 HB VAL 71 HB VAL 71 -12.388 9.982 2.539 544 1HG1 VAL 71 1HG1 VAL 71 -14.887 11.682 2.280 545 2HG1 VAL 71 2HG1 VAL 71 -13.842 11.655 3.700 546 3HG1 VAL 71 3HG1 VAL 71 -13.218 12.241 2.159 547 1HG2 VAL 71 1HG2 VAL 71 -14.828 8.481 2.338 548 2HG2 VAL 71 2HG2 VAL 71 -13.640 8.467 3.641 549 3HG2 VAL 71 3HG2 VAL 71 -14.976 9.618 3.678 550 H GLN 72 H GLN 72 -15.669 8.482 0.272 551 HA GLN 72 HA GLN 72 -17.371 10.885 -0.260 552 1HB GLN 72 1HB GLN 72 -18.056 8.314 -1.605 553 2HB GLN 72 2HB GLN 72 -18.210 9.968 -2.195 554 1HG GLN 72 1HG GLN 72 -15.620 8.414 -1.953 555 2HG GLN 72 2HG GLN 72 -16.468 8.787 -3.454 556 1HE2 GLN 72 2HE2 GLN 72 -14.013 9.799 -3.565 557 2HE2 GLN 72 1HE2 GLN 72 -13.953 11.452 -3.188 558 HA PRO 73 HA PRO 73 -20.311 9.114 2.471 559 1HB PRO 73 1HB PRO 73 -22.703 9.403 1.145 560 2HB PRO 73 2HB PRO 73 -21.809 10.755 1.865 561 1HG PRO 73 1HG PRO 73 -22.102 10.020 -1.006 562 2HG PRO 73 2HG PRO 73 -21.757 11.599 -0.281 563 1HD PRO 73 1HD PRO 73 -19.875 9.864 -1.505 564 2HD PRO 73 2HD PRO 73 -19.499 11.311 -0.546 565 H GLY 74 H GLY 74 -20.063 6.899 2.744 566 1HA GLY 74 1HA GLY 74 -20.653 4.631 2.561 567 2HA GLY 74 2HA GLY 74 -21.935 5.117 1.453 568 H ASN 75 H ASN 75 -18.539 5.908 0.934 569 HA ASN 75 HA ASN 75 -17.767 3.721 -0.671 570 1HB ASN 75 1HB ASN 75 -18.154 4.701 -2.959 571 2HB ASN 75 2HB ASN 75 -19.635 4.213 -2.134 572 1HD2 ASN 75 2HD2 ASN 75 -19.236 6.369 -4.221 573 2HD2 ASN 75 1HD2 ASN 75 -19.822 7.791 -3.504 574 H VAL 76 H VAL 76 -15.599 3.989 -0.994 575 HA VAL 76 HA VAL 76 -14.553 6.787 -1.086 576 HB VAL 76 HB VAL 76 -14.011 5.784 1.074 577 1HG1 VAL 76 1HG1 VAL 76 -12.830 3.542 -0.596 578 2HG1 VAL 76 2HG1 VAL 76 -12.671 3.692 1.154 579 3HG1 VAL 76 3HG1 VAL 76 -14.259 3.427 0.433 580 1HG2 VAL 76 1HG2 VAL 76 -12.206 6.876 -0.693 581 2HG2 VAL 76 2HG2 VAL 76 -11.872 6.548 1.006 582 3HG2 VAL 76 3HG2 VAL 76 -11.404 5.377 -0.225 583 H THR 77 H THR 77 -12.732 7.098 -2.472 584 HA THR 77 HA THR 77 -11.820 4.783 -4.078 585 HB THR 77 HB THR 77 -13.152 7.246 -5.237 586 HG1 THR 77 HG1 THR 77 -13.620 4.457 -5.437 587 1HG2 THR 77 1HG2 THR 77 -11.005 5.596 -6.287 588 2HG2 THR 77 2HG2 THR 77 -12.442 5.498 -7.305 589 3HG2 THR 77 3HG2 THR 77 -11.713 7.065 -6.958 590 H VAL 78 H VAL 78 -9.708 5.063 -4.817 591 HA VAL 78 HA VAL 78 -8.465 7.742 -4.556 592 HB VAL 78 HB VAL 78 -6.686 6.961 -3.141 593 1HG1 VAL 78 1HG1 VAL 78 -8.953 7.471 -2.088 594 2HG1 VAL 78 2HG1 VAL 78 -9.209 5.728 -2.006 595 3HG1 VAL 78 3HG1 VAL 78 -7.876 6.466 -1.117 596 1HG2 VAL 78 1HG2 VAL 78 -7.937 4.236 -3.581 597 2HG2 VAL 78 2HG2 VAL 78 -6.318 4.758 -4.043 598 3HG2 VAL 78 3HG2 VAL 78 -6.724 4.550 -2.340 599 H LEU 79 H LEU 79 -6.779 8.032 -6.032 600 HA LEU 79 HA LEU 79 -6.369 5.772 -7.930 601 1HB LEU 79 1HB LEU 79 -5.964 8.761 -8.199 602 2HB LEU 79 2HB LEU 79 -5.456 7.602 -9.427 603 HG LEU 79 HG LEU 79 -7.935 6.731 -9.203 604 1HD1 LEU 79 1HD1 LEU 79 -8.074 8.673 -7.311 605 2HD1 LEU 79 2HD1 LEU 79 -8.608 9.581 -8.725 606 3HD1 LEU 79 3HD1 LEU 79 -9.471 8.123 -8.237 607 1HD2 LEU 79 1HD2 LEU 79 -6.932 9.177 -10.657 608 2HD2 LEU 79 2HD2 LEU 79 -7.239 7.563 -11.299 609 3HD2 LEU 79 3HD2 LEU 79 -8.590 8.615 -10.875 610 H ALA 80 H ALA 80 -4.158 5.421 -8.741 611 HA ALA 80 HA ALA 80 -1.950 6.567 -7.160 612 1HB ALA 80 1HB ALA 80 -2.566 3.595 -7.146 613 2HB ALA 80 2HB ALA 80 -1.099 4.328 -6.497 614 3HB ALA 80 3HB ALA 80 -2.662 4.680 -5.760 615 H ASP 81 H ASP 81 0.052 4.792 -7.945 616 HA ASP 81 HA ASP 81 -0.133 4.923 -10.930 617 1HB ASP 81 1HB ASP 81 1.777 6.103 -9.115 618 2HB ASP 81 2HB ASP 81 2.591 4.943 -10.165 619 H THR 82 H THR 82 1.202 3.180 -8.139 620 HA THR 82 HA THR 82 1.647 0.840 -9.950 621 HB THR 82 HB THR 82 3.708 1.707 -8.860 622 HG1 THR 82 HG1 THR 82 4.088 -0.346 -9.028 623 1HG2 THR 82 1HG2 THR 82 2.387 2.502 -6.805 624 2HG2 THR 82 2HG2 THR 82 2.481 0.832 -6.245 625 3HG2 THR 82 3HG2 THR 82 3.958 1.761 -6.502 626 H ALA 83 H ALA 83 1.434 -1.304 -8.645 627 HA ALA 83 HA ALA 83 -0.249 -1.379 -6.317 628 1HB ALA 83 1HB ALA 83 -1.634 -0.802 -8.691 629 2HB ALA 83 2HB ALA 83 -1.919 -2.519 -8.405 630 3HB ALA 83 3HB ALA 83 -2.340 -1.336 -7.165 631 H ILE 84 H ILE 84 -0.035 -3.415 -5.441 632 HA ILE 84 HA ILE 84 0.509 -5.699 -7.247 633 HB ILE 84 HB ILE 84 2.318 -4.750 -5.016 634 1HG1 ILE 84 1HG1 ILE 84 3.040 -5.592 -7.826 635 2HG1 ILE 84 2HG1 ILE 84 2.527 -3.943 -7.465 636 1HG2 ILE 84 1HG2 ILE 84 1.818 -7.203 -4.868 637 2HG2 ILE 84 2HG2 ILE 84 2.446 -7.380 -6.506 638 3HG2 ILE 84 3HG2 ILE 84 3.510 -6.842 -5.206 639 1HD1 ILE 84 1HD1 ILE 84 4.351 -4.258 -5.507 640 2HD1 ILE 84 2HD1 ILE 84 5.034 -5.355 -6.708 641 3HD1 ILE 84 3HD1 ILE 84 4.777 -3.658 -7.110 642 H ARG 85 H ARG 85 0.040 -7.750 -6.235 643 HA ARG 85 HA ARG 85 -1.823 -7.480 -3.938 644 1HB ARG 85 1HB ARG 85 -1.983 -8.936 -6.282 645 2HB ARG 85 2HB ARG 85 -1.477 -10.152 -5.108 646 1HG ARG 85 1HG ARG 85 -3.481 -10.127 -4.056 647 2HG ARG 85 2HG ARG 85 -3.564 -8.365 -4.081 648 1HD ARG 85 1HD ARG 85 -5.371 -9.146 -5.451 649 2HD ARG 85 2HD ARG 85 -4.134 -8.542 -6.553 650 HE ARG 85 HE ARG 85 -4.147 -10.715 -7.445 651 1HH1 ARG 85 1HH2 ARG 85 -6.428 -11.606 -5.677 652 2HH1 ARG 85 2HH2 ARG 85 -5.726 -12.957 -4.852 653 1HH2 ARG 85 1HH1 ARG 85 -2.466 -12.105 -5.680 654 2HH2 ARG 85 2HH1 ARG 85 -3.480 -13.242 -4.855 655 H GLY 86 H GLY 86 -1.709 -9.622 -2.484 656 1HA GLY 86 1HA GLY 86 0.924 -9.556 -1.236 657 2HA GLY 86 2HA GLY 86 -0.450 -10.519 -0.697 658 H GLN 87 H GLN 87 -0.093 -11.100 -3.947 659 HA GLN 87 HA GLN 87 2.138 -12.877 -4.046 660 1HB GLN 87 1HB GLN 87 0.394 -14.953 -4.174 661 2HB GLN 87 2HB GLN 87 1.279 -14.525 -2.712 662 1HG GLN 87 1HG GLN 87 -0.579 -13.689 -1.670 663 2HG GLN 87 2HG GLN 87 -1.255 -13.048 -3.167 664 1HE2 GLN 87 2HE2 GLN 87 -2.623 -14.754 -1.108 665 2HE2 GLN 87 1HE2 GLN 87 -3.154 -16.133 -1.943 666 H ASP 88 H ASP 88 1.113 -11.003 -5.819 667 HA ASP 88 HA ASP 88 -0.690 -11.822 -7.790 668 1HB ASP 88 1HB ASP 88 1.015 -9.716 -7.531 669 2HB ASP 88 2HB ASP 88 1.811 -10.615 -8.824 670 H LEU 89 H LEU 89 2.853 -12.373 -7.908 671 HA LEU 89 HA LEU 89 2.324 -14.988 -9.213 672 1HB LEU 89 1HB LEU 89 3.492 -12.617 -10.503 673 2HB LEU 89 2HB LEU 89 4.496 -14.060 -10.642 674 HG LEU 89 HG LEU 89 1.598 -14.463 -11.119 675 1HD1 LEU 89 1HD1 LEU 89 3.008 -12.336 -12.433 676 2HD1 LEU 89 2HD1 LEU 89 2.713 -13.623 -13.602 677 3HD1 LEU 89 3HD1 LEU 89 1.363 -12.903 -12.723 678 1HD2 LEU 89 1HD2 LEU 89 4.224 -15.382 -12.300 679 2HD2 LEU 89 2HD2 LEU 89 3.006 -16.342 -11.460 680 3HD2 LEU 89 3HD2 LEU 89 2.687 -15.741 -13.086 681 H ASP 90 H ASP 90 5.175 -12.911 -8.577 682 HA ASP 90 HA ASP 90 6.489 -15.248 -7.307 683 1HB ASP 90 1HB ASP 90 7.765 -12.545 -7.685 684 2HB ASP 90 2HB ASP 90 8.531 -14.134 -7.646 685 H GLU 91 H GLU 91 8.151 -14.026 -5.475 686 HA GLU 91 HA GLU 91 6.804 -12.149 -3.761 687 1HB GLU 91 1HB GLU 91 6.458 -13.881 -1.873 688 2HB GLU 91 2HB GLU 91 5.265 -13.850 -3.172 689 1HG GLU 91 1HG GLU 91 6.114 -15.798 -4.173 690 2HG GLU 91 2HG GLU 91 7.672 -15.649 -3.358 691 H ALA 92 H ALA 92 9.161 -14.767 -4.074 692 HA ALA 92 HA ALA 92 10.745 -13.871 -1.796 693 1HB ALA 92 1HB ALA 92 11.333 -15.786 -4.068 694 2HB ALA 92 2HB ALA 92 12.450 -15.474 -2.740 695 3HB ALA 92 3HB ALA 92 10.876 -16.202 -2.417 696 H ARG 93 H ARG 93 10.489 -12.972 -5.125 697 HA ARG 93 HA ARG 93 13.189 -11.857 -5.299 698 1HB ARG 93 1HB ARG 93 12.193 -10.763 -7.403 699 2HB ARG 93 2HB ARG 93 12.259 -12.525 -7.383 700 1HG ARG 93 1HG ARG 93 10.005 -12.716 -7.411 701 2HG ARG 93 2HG ARG 93 9.805 -11.464 -6.185 702 1HD ARG 93 1HD ARG 93 10.531 -10.806 -9.044 703 2HD ARG 93 2HD ARG 93 8.856 -10.940 -8.510 704 HE ARG 93 HE ARG 93 9.694 -9.166 -6.717 705 1HH1 ARG 93 1HH1 ARG 93 12.252 -8.723 -8.238 706 2HH1 ARG 93 2HH1 ARG 93 11.839 -7.376 -9.245 707 1HH2 ARG 93 1HH2 ARG 93 8.421 -7.743 -8.795 708 2HH2 ARG 93 2HH2 ARG 93 9.672 -6.819 -9.557 709 H ALA 94 H ALA 94 10.623 -10.953 -3.490 710 HA ALA 94 HA ALA 94 10.803 -8.049 -4.029 711 1HB ALA 94 1HB ALA 94 8.628 -9.292 -3.430 712 2HB ALA 94 2HB ALA 94 9.270 -9.381 -1.789 713 3HB ALA 94 3HB ALA 94 8.967 -7.811 -2.535 714 H MET 95 H MET 95 11.809 -10.461 -1.690 715 HA MET 95 HA MET 95 12.810 -8.506 0.230 716 1HB MET 95 1HB MET 95 12.648 -11.450 -0.004 717 2HB MET 95 2HB MET 95 14.043 -10.848 0.889 718 1HG MET 95 1HG MET 95 12.707 -9.771 2.499 719 2HG MET 95 2HG MET 95 11.289 -9.772 1.449 720 1HE MET 95 1HE MET 95 13.738 -11.347 3.455 721 2HE MET 95 2HE MET 95 12.635 -12.015 4.655 722 3HE MET 95 3HE MET 95 13.434 -13.089 3.511 723 H GLU 96 H GLU 96 14.033 -10.149 -2.584 724 HA GLU 96 HA GLU 96 16.841 -9.904 -1.990 725 1HB GLU 96 1HB GLU 96 15.185 -10.480 -4.394 726 2HB GLU 96 2HB GLU 96 16.813 -9.868 -4.689 727 1HG GLU 96 1HG GLU 96 17.816 -11.668 -3.489 728 2HG GLU 96 2HG GLU 96 16.271 -12.159 -2.792 729 H ALA 97 H ALA 97 14.434 -7.634 -2.973 730 HA ALA 97 HA ALA 97 16.340 -5.735 -4.138 731 1HB ALA 97 1HB ALA 97 13.422 -5.920 -3.785 732 2HB ALA 97 2HB ALA 97 14.064 -4.288 -3.603 733 3HB ALA 97 3HB ALA 97 14.352 -5.188 -5.092 734 H LYS 98 H LYS 98 14.558 -6.094 -1.079 735 HA LYS 98 HA LYS 98 15.334 -3.630 0.102 736 1HB LYS 98 1HB LYS 98 13.638 -4.989 1.163 737 2HB LYS 98 2HB LYS 98 14.769 -6.329 1.361 738 1HG LYS 98 1HG LYS 98 15.934 -3.981 2.518 739 2HG LYS 98 2HG LYS 98 14.298 -4.164 3.151 740 1HD LYS 98 1HD LYS 98 15.430 -6.759 3.103 741 2HD LYS 98 2HD LYS 98 16.655 -5.693 3.793 742 1HE LYS 98 1HE LYS 98 14.346 -4.805 5.015 743 2HE LYS 98 2HE LYS 98 14.075 -6.545 4.912 744 1HZ LYS 98 1HZ LYS 98 16.567 -5.324 5.963 745 2HZ LYS 98 2HZ LYS 98 15.267 -5.805 6.946 746 3HZ LYS 98 3HZ LYS 98 16.112 -6.959 6.033 747 H ARG 99 H ARG 99 16.995 -6.767 -0.032 748 HA ARG 99 HA ARG 99 19.161 -6.027 1.706 749 1HB ARG 99 1HB ARG 99 18.369 -8.350 0.474 750 2HB ARG 99 2HB ARG 99 19.804 -7.921 -0.458 751 1HG ARG 99 1HG ARG 99 20.125 -7.574 2.447 752 2HG ARG 99 2HG ARG 99 19.848 -9.245 1.952 753 1HD ARG 99 1HD ARG 99 21.758 -7.743 0.266 754 2HD ARG 99 2HD ARG 99 22.295 -8.042 1.920 755 HE ARG 99 HE ARG 99 21.667 -10.139 -0.092 756 1HH1 ARG 99 1HH2 ARG 99 24.262 -9.487 1.566 757 2HH1 ARG 99 2HH2 ARG 99 24.280 -10.866 2.613 758 1HH2 ARG 99 1HH1 ARG 99 21.018 -11.791 1.890 759 2HH2 ARG 99 2HH1 ARG 99 22.443 -12.170 2.798 760 H LYS 100 H LYS 100 18.638 -5.703 -1.783 761 HA LYS 100 HA LYS 100 21.345 -4.577 -2.138 762 1HB LYS 100 1HB LYS 100 19.126 -4.746 -4.191 763 2HB LYS 100 2HB LYS 100 20.855 -4.568 -4.488 764 1HG LYS 100 1HG LYS 100 21.248 -6.797 -3.483 765 2HG LYS 100 2HG LYS 100 19.512 -6.980 -3.233 766 1HD LYS 100 1HD LYS 100 19.148 -7.516 -5.401 767 2HD LYS 100 2HD LYS 100 20.195 -6.219 -5.979 768 1HE LYS 100 1HE LYS 100 22.160 -7.554 -5.699 769 2HE LYS 100 2HE LYS 100 21.281 -8.774 -4.776 770 1HZ LYS 100 1HZ LYS 100 19.861 -8.911 -6.927 771 2HZ LYS 100 2HZ LYS 100 21.236 -8.238 -7.664 772 3HZ LYS 100 3HZ LYS 100 21.354 -9.719 -6.848 773 H ALA 101 H ALA 101 18.477 -3.405 -0.992 774 HA ALA 101 HA ALA 101 18.549 -0.814 -2.391 775 1HB ALA 101 1HB ALA 101 16.394 -1.869 -1.657 776 2HB ALA 101 2HB ALA 101 16.902 -1.648 0.017 777 3HB ALA 101 3HB ALA 101 16.626 -0.243 -1.013 778 H GLU 102 H GLU 102 18.892 -1.891 1.012 779 HA GLU 102 HA GLU 102 19.941 0.645 1.899 780 1HB GLU 102 1HB GLU 102 18.977 -0.743 3.576 781 2HB GLU 102 2HB GLU 102 19.936 -2.137 3.082 782 1HG GLU 102 1HG GLU 102 21.935 -1.217 3.979 783 2HG GLU 102 2HG GLU 102 21.226 0.392 4.116 784 H GLU 103 H GLU 103 21.451 -2.429 0.932 785 HA GLU 103 HA GLU 103 24.134 -1.803 1.545 786 1HB GLU 103 1HB GLU 103 22.726 -3.738 -0.098 787 2HB GLU 103 2HB GLU 103 24.214 -3.212 -0.885 788 1HG GLU 103 1HG GLU 103 25.549 -3.852 0.987 789 2HG GLU 103 2HG GLU 103 24.132 -4.050 2.019 790 H HIS 104 H HIS 104 22.253 -1.053 -1.390 791 HA HIS 104 HA HIS 104 24.447 0.221 -2.762 792 1HB HIS 104 1HB HIS 104 21.959 -0.581 -3.513 793 2HB HIS 104 2HB HIS 104 21.697 1.157 -3.353 794 HD1 HIS 104 HD1 HIS 104 24.064 2.479 -4.441 795 HD2 HIS 104 HD2 HIS 104 22.695 -1.086 -6.115 796 HE1 HIS 104 HE1 HIS 104 25.018 2.375 -6.786 797 H ILE 105 H ILE 105 22.224 1.258 -0.296 798 HA ILE 105 HA ILE 105 22.835 4.110 -0.748 799 HB ILE 105 HB ILE 105 21.173 2.713 1.371 800 1HG1 ILE 105 1HG1 ILE 105 20.321 4.392 -1.007 801 2HG1 ILE 105 2HG1 ILE 105 20.337 2.629 -1.006 802 1HG2 ILE 105 1HG2 ILE 105 21.949 5.560 0.904 803 2HG2 ILE 105 2HG2 ILE 105 20.304 5.231 1.447 804 3HG2 ILE 105 3HG2 ILE 105 21.677 4.708 2.424 805 1HD1 ILE 105 1HD1 ILE 105 18.854 2.735 1.059 806 2HD1 ILE 105 2HD1 ILE 105 18.675 4.459 0.737 807 3HD1 ILE 105 3HD1 ILE 105 18.102 3.279 -0.440 808 H SER 106 H SER 106 24.895 2.051 0.097 809 HA SER 106 HA SER 106 25.599 2.430 2.831 810 1HB SER 106 1HB SER 106 27.202 1.735 0.370 811 2HB SER 106 2HB SER 106 27.967 1.902 1.947 812 HG SER 106 HG SER 106 27.016 0.120 2.602 813 H SER 107 H SER 107 25.405 4.643 3.382 814 HA SER 107 HA SER 107 26.326 6.776 3.758 815 1HB SER 107 1HB SER 107 28.517 5.226 2.735 816 2HB SER 107 2HB SER 107 28.570 6.831 2.012 817 HG SER 107 HG SER 107 29.138 6.061 4.533 818 H SER 108 H SER 108 26.820 8.817 2.432 819 HA SER 108 HA SER 108 25.991 8.672 -0.395 820 1HB SER 108 1HB SER 108 23.909 8.842 1.154 821 2HB SER 108 2HB SER 108 24.443 10.495 1.442 822 HG SER 108 HG SER 108 23.208 9.423 -0.715 823 H HIS 109 H HIS 109 26.427 10.685 -1.519 824 HA HIS 109 HA HIS 109 27.693 12.871 -0.016 825 1HB HIS 109 1HB HIS 109 29.439 10.992 -0.560 826 2HB HIS 109 2HB HIS 109 29.338 11.626 -2.204 827 HD1 HIS 109 HD1 HIS 109 31.293 13.138 -2.531 828 HD2 HIS 109 HD2 HIS 109 29.575 13.648 1.233 829 HE1 HIS 109 HE1 HIS 109 32.540 15.046 -1.427 830 H GLY 110 H GLY 110 27.851 14.794 -1.292 831 1HA GLY 110 1HA GLY 110 27.762 15.811 -3.577 832 2HA GLY 110 2HA GLY 110 26.545 14.598 -3.978 833 H ASP 111 H ASP 111 26.403 15.963 -0.809 834 HA ASP 111 HA ASP 111 24.716 17.249 0.204 835 1HB ASP 111 1HB ASP 111 24.527 18.886 -2.301 836 2HB ASP 111 2HB ASP 111 24.556 19.417 -0.619 837 H VAL 112 H VAL 112 22.916 15.933 0.325 838 HA VAL 112 HA VAL 112 20.934 14.849 -0.375 839 HB VAL 112 HB VAL 112 19.253 16.453 -1.171 840 1HG1 VAL 112 1HG1 VAL 112 20.145 16.478 1.227 841 2HG1 VAL 112 2HG1 VAL 112 21.095 17.886 0.754 842 3HG1 VAL 112 3HG1 VAL 112 19.334 17.948 0.690 843 1HG2 VAL 112 1HG2 VAL 112 20.928 17.551 -2.785 844 2HG2 VAL 112 2HG2 VAL 112 19.818 18.635 -1.945 845 3HG2 VAL 112 3HG2 VAL 112 21.486 18.480 -1.395 846 H ASP 113 H ASP 113 23.154 14.500 -2.211 847 HA ASP 113 HA ASP 113 21.991 14.735 -4.909 848 1HB ASP 113 1HB ASP 113 24.361 15.129 -4.733 849 2HB ASP 113 2HB ASP 113 24.597 13.620 -3.846 850 H TYR 114 H TYR 114 23.812 11.880 -4.065 851 HA TYR 114 HA TYR 114 21.743 10.136 -5.089 852 1HB TYR 114 1HB TYR 114 24.247 9.660 -5.095 853 2HB TYR 114 2HB TYR 114 24.108 9.343 -3.366 854 HD1 TYR 114 HD1 TYR 114 22.737 8.320 -6.689 855 HD2 TYR 114 HD2 TYR 114 23.370 7.245 -2.578 856 HE1 TYR 114 HE1 TYR 114 21.958 6.017 -7.171 857 HE2 TYR 114 HE2 TYR 114 22.591 4.941 -3.061 858 HH TYR 114 HH TYR 114 22.326 3.698 -6.132 859 H ALA 115 H ALA 115 22.254 11.691 -2.129 860 HA ALA 115 HA ALA 115 21.153 9.736 -0.321 861 1HB ALA 115 1HB ALA 115 22.165 12.432 -0.221 862 2HB ALA 115 2HB ALA 115 20.621 12.356 0.634 863 3HB ALA 115 3HB ALA 115 21.945 11.290 1.107 864 H GLN 116 H GLN 116 19.785 12.032 -2.559 865 HA GLN 116 HA GLN 116 17.142 12.108 -1.356 866 1HB GLN 116 1HB GLN 116 18.396 13.049 -3.892 867 2HB GLN 116 2HB GLN 116 16.649 12.799 -3.910 868 1HG GLN 116 1HG GLN 116 17.985 14.351 -1.695 869 2HG GLN 116 2HG GLN 116 17.507 15.133 -3.201 870 1HE2 GLN 116 2HE2 GLN 116 15.475 16.073 -3.026 871 2HE2 GLN 116 1HE2 GLN 116 14.189 15.461 -2.103 872 H ALA 117 H ALA 117 18.806 9.987 -3.586 873 HA ALA 117 HA ALA 117 16.366 8.691 -4.534 874 1HB ALA 117 1HB ALA 117 18.851 8.814 -5.560 875 2HB ALA 117 2HB ALA 117 18.990 7.286 -4.690 876 3HB ALA 117 3HB ALA 117 17.747 7.488 -5.926 877 H SER 118 H SER 118 18.083 8.605 -1.642 878 HA SER 118 HA SER 118 17.688 5.762 -1.063 879 1HB SER 118 1HB SER 118 18.545 8.125 0.620 880 2HB SER 118 2HB SER 118 18.340 6.508 1.286 881 HG SER 118 HG SER 118 20.439 7.472 0.055 882 H ALA 119 H ALA 119 15.970 8.781 -0.502 883 HA ALA 119 HA ALA 119 14.151 7.757 1.482 884 1HB ALA 119 1HB ALA 119 14.546 10.215 0.043 885 2HB ALA 119 2HB ALA 119 12.842 9.765 -0.040 886 3HB ALA 119 3HB ALA 119 13.631 9.946 1.527 887 H GLU 120 H GLU 120 14.194 7.721 -2.040 888 HA GLU 120 HA GLU 120 11.450 6.678 -2.203 889 1HB GLU 120 1HB GLU 120 13.508 6.703 -4.420 890 2HB GLU 120 2HB GLU 120 11.751 6.718 -4.567 891 1HG GLU 120 1HG GLU 120 12.165 8.951 -3.049 892 2HG GLU 120 2HG GLU 120 13.615 8.951 -4.056 893 H LEU 121 H LEU 121 14.561 5.414 -1.639 894 HA LEU 121 HA LEU 121 14.164 2.817 -2.883 895 1HB LEU 121 1HB LEU 121 16.278 4.189 -1.535 896 2HB LEU 121 2HB LEU 121 16.011 2.655 -0.705 897 HG LEU 121 HG LEU 121 17.630 2.390 -2.550 898 1HD1 LEU 121 1HD1 LEU 121 15.279 0.873 -2.105 899 2HD1 LEU 121 2HD1 LEU 121 15.503 0.943 -3.853 900 3HD1 LEU 121 3HD1 LEU 121 16.792 0.319 -2.823 901 1HD2 LEU 121 1HD2 LEU 121 15.427 3.754 -4.032 902 2HD2 LEU 121 2HD2 LEU 121 17.173 3.911 -4.224 903 3HD2 LEU 121 3HD2 LEU 121 16.333 2.514 -4.898 904 H ALA 122 H ALA 122 13.292 4.284 0.155 905 HA ALA 122 HA ALA 122 12.798 1.747 1.520 906 1HB ALA 122 1HB ALA 122 11.992 4.597 2.166 907 2HB ALA 122 2HB ALA 122 11.683 3.219 3.222 908 3HB ALA 122 3HB ALA 122 13.341 3.698 2.860 909 H LYS 123 H LYS 123 11.208 3.402 -0.926 910 HA LYS 123 HA LYS 123 8.477 2.745 -0.056 911 1HB LYS 123 1HB LYS 123 9.725 4.304 -2.205 912 2HB LYS 123 2HB LYS 123 8.339 3.360 -2.752 913 1HG LYS 123 1HG LYS 123 7.003 4.942 -1.869 914 2HG LYS 123 2HG LYS 123 7.567 4.445 -0.274 915 1HD LYS 123 1HD LYS 123 8.431 6.522 -0.072 916 2HD LYS 123 2HD LYS 123 9.648 6.018 -1.247 917 1HE LYS 123 1HE LYS 123 6.959 7.183 -2.014 918 2HE LYS 123 2HE LYS 123 8.434 8.138 -1.873 919 1HZ LYS 123 1HZ LYS 123 9.347 6.257 -3.430 920 2HZ LYS 123 2HZ LYS 123 7.712 6.107 -3.855 921 3HZ LYS 123 3HZ LYS 123 8.511 7.592 -4.066 922 H ALA 124 H ALA 124 11.051 1.159 -1.643 923 HA ALA 124 HA ALA 124 9.292 -0.677 -3.142 924 1HB ALA 124 1HB ALA 124 12.136 0.004 -3.125 925 2HB ALA 124 2HB ALA 124 11.862 -1.737 -3.187 926 3HB ALA 124 3HB ALA 124 11.159 -0.689 -4.419 927 H ILE 125 H ILE 125 10.508 -0.397 0.005 928 HA ILE 125 HA ILE 125 10.770 -3.268 0.527 929 HB ILE 125 HB ILE 125 10.808 -0.797 2.269 930 1HG1 ILE 125 1HG1 ILE 125 13.134 -1.573 2.676 931 2HG1 ILE 125 2HG1 ILE 125 12.855 -2.933 1.588 932 1HG2 ILE 125 1HG2 ILE 125 10.491 -3.668 3.017 933 2HG2 ILE 125 2HG2 ILE 125 11.614 -2.703 3.975 934 3HG2 ILE 125 3HG2 ILE 125 9.923 -2.221 3.850 935 1HD1 ILE 125 1HD1 ILE 125 12.387 -0.099 0.672 936 2HD1 ILE 125 2HD1 ILE 125 13.996 -0.820 0.610 937 3HD1 ILE 125 3HD1 ILE 125 12.671 -1.539 -0.305 938 H ALA 126 H ALA 126 8.155 -1.281 0.009 939 HA ALA 126 HA ALA 126 6.418 -2.514 2.056 940 1HB ALA 126 1HB ALA 126 6.132 -0.119 1.485 941 2HB ALA 126 2HB ALA 126 5.751 -0.571 -0.177 942 3HB ALA 126 3HB ALA 126 4.673 -1.047 1.136 943 H GLN 127 H GLN 127 7.311 -2.963 -1.262 944 HA GLN 127 HA GLN 127 4.933 -4.354 -2.123 945 1HB GLN 127 1HB GLN 127 6.215 -5.014 -4.039 946 2HB GLN 127 2HB GLN 127 6.753 -3.386 -3.623 947 1HG GLN 127 1HG GLN 127 8.625 -4.437 -2.292 948 2HG GLN 127 2HG GLN 127 8.143 -5.997 -2.961 949 1HE2 GLN 127 2HE2 GLN 127 7.773 -5.713 -5.574 950 2HE2 GLN 127 1HE2 GLN 127 9.078 -4.964 -6.359 951 H LEU 128 H LEU 128 7.936 -5.362 -0.547 952 HA LEU 128 HA LEU 128 7.211 -8.205 -0.712 953 1HB LEU 128 1HB LEU 128 9.296 -8.620 0.393 954 2HB LEU 128 2HB LEU 128 9.599 -7.305 -0.742 955 HG LEU 128 HG LEU 128 8.710 -6.063 1.623 956 1HD1 LEU 128 1HD1 LEU 128 9.248 -8.348 2.652 957 2HD1 LEU 128 2HD1 LEU 128 10.935 -8.007 2.269 958 3HD1 LEU 128 3HD1 LEU 128 10.053 -6.958 3.378 959 1HD2 LEU 128 1HD2 LEU 128 11.454 -6.446 0.391 960 2HD2 LEU 128 2HD2 LEU 128 10.350 -5.094 0.139 961 3HD2 LEU 128 3HD2 LEU 128 11.131 -5.316 1.706 962 H ARG 129 H ARG 129 5.803 -5.877 0.950 963 HA ARG 129 HA ARG 129 5.872 -7.113 3.631 964 1HB ARG 129 1HB ARG 129 4.627 -4.637 2.455 965 2HB ARG 129 2HB ARG 129 4.079 -5.249 4.017 966 1HG ARG 129 1HG ARG 129 6.802 -5.366 4.311 967 2HG ARG 129 2HG ARG 129 6.617 -3.931 3.303 968 1HD ARG 129 1HD ARG 129 6.153 -2.823 5.219 969 2HD ARG 129 2HD ARG 129 4.594 -3.648 5.180 970 HE ARG 129 HE ARG 129 5.353 -4.666 7.161 971 1HH1 ARG 129 1HH1 ARG 129 8.092 -3.177 6.615 972 2HH1 ARG 129 2HH1 ARG 129 9.173 -4.518 6.806 973 1HH2 ARG 129 1HH2 ARG 129 6.663 -6.905 6.661 974 2HH2 ARG 129 2HH2 ARG 129 8.364 -6.628 6.833 975 H VAL 130 H VAL 130 3.408 -6.400 1.136 976 HA VAL 130 HA VAL 130 1.218 -7.674 2.343 977 HB VAL 130 HB VAL 130 0.403 -8.057 -0.005 978 1HG1 VAL 130 1HG1 VAL 130 1.553 -5.414 0.875 979 2HG1 VAL 130 2HG1 VAL 130 0.691 -5.555 -0.657 980 3HG1 VAL 130 3HG1 VAL 130 -0.133 -5.932 0.855 981 1HG2 VAL 130 1HG2 VAL 130 3.021 -8.301 -0.653 982 2HG2 VAL 130 2HG2 VAL 130 1.781 -7.860 -1.826 983 3HG2 VAL 130 3HG2 VAL 130 2.767 -6.606 -1.072 984 H ILE 131 H ILE 131 4.100 -9.086 1.061 985 HA ILE 131 HA ILE 131 2.905 -11.758 0.742 986 HB ILE 131 HB ILE 131 5.857 -11.112 0.769 987 1HG1 ILE 131 1HG1 ILE 131 4.192 -11.063 -1.738 988 2HG1 ILE 131 2HG1 ILE 131 4.350 -9.604 -0.760 989 1HG2 ILE 131 1HG2 ILE 131 4.389 -13.464 0.429 990 2HG2 ILE 131 2HG2 ILE 131 4.817 -12.981 -1.212 991 3HG2 ILE 131 3HG2 ILE 131 6.081 -13.221 -0.004 992 1HD1 ILE 131 1HD1 ILE 131 6.917 -10.175 -0.836 993 2HD1 ILE 131 2HD1 ILE 131 6.466 -11.109 -2.263 994 3HD1 ILE 131 3HD1 ILE 131 6.158 -9.374 -2.212 995 H GLU 132 H GLU 132 5.544 -10.419 2.767 996 HA GLU 132 HA GLU 132 6.013 -12.524 4.475 997 1HB GLU 132 1HB GLU 132 5.877 -9.562 4.992 998 2HB GLU 132 2HB GLU 132 6.239 -10.679 6.309 999 1HG GLU 132 1HG GLU 132 7.740 -10.753 3.687 1000 2HG GLU 132 2HG GLU 132 8.254 -9.735 5.032 1001 H LEU 133 H LEU 133 3.249 -10.291 4.660 1002 HA LEU 133 HA LEU 133 2.191 -11.492 7.082 1003 1HB LEU 133 1HB LEU 133 1.377 -9.396 5.168 1004 2HB LEU 133 2HB LEU 133 0.039 -10.276 5.907 1005 HG LEU 133 HG LEU 133 1.130 -9.867 8.153 1006 1HD1 LEU 133 1HD1 LEU 133 3.252 -9.010 6.514 1007 2HD1 LEU 133 2HD1 LEU 133 2.619 -7.543 7.261 1008 3HD1 LEU 133 3HD1 LEU 133 3.156 -8.886 8.270 1009 1HD2 LEU 133 1HD2 LEU 133 -0.053 -7.803 6.360 1010 2HD2 LEU 133 2HD2 LEU 133 -0.633 -8.410 7.911 1011 3HD2 LEU 133 3HD2 LEU 133 0.670 -7.223 7.860 1012 H THR 134 H THR 134 1.194 -11.649 3.647 1013 HA THR 134 HA THR 134 -0.931 -13.432 3.838 1014 HB THR 134 HB THR 134 -0.061 -14.333 1.577 1015 HG1 THR 134 HG1 THR 134 1.805 -13.619 0.916 1016 1HG2 THR 134 1HG2 THR 134 -0.753 -11.502 2.265 1017 2HG2 THR 134 2HG2 THR 134 -0.313 -11.889 0.601 1018 3HG2 THR 134 3HG2 THR 134 -1.687 -12.693 1.360 1019 H LYS 135 H LYS 135 2.442 -14.061 4.407 1020 HA LYS 135 HA LYS 135 2.315 -16.936 4.144 1021 1HB LYS 135 1HB LYS 135 4.219 -15.187 5.732 1022 2HB LYS 135 2HB LYS 135 4.464 -16.898 5.379 1023 1HG LYS 135 1HG LYS 135 3.869 -15.669 2.906 1024 2HG LYS 135 2HG LYS 135 5.028 -14.611 3.711 1025 1HD LYS 135 1HD LYS 135 6.492 -16.582 4.130 1026 2HD LYS 135 2HD LYS 135 5.355 -17.586 3.228 1027 1HE LYS 135 1HE LYS 135 6.251 -16.928 1.272 1028 2HE LYS 135 2HE LYS 135 6.004 -15.233 1.691 1029 1HZ LYS 135 1HZ LYS 135 8.054 -15.315 2.995 1030 2HZ LYS 135 2HZ LYS 135 8.303 -16.924 2.510 1031 3HZ LYS 135 3HZ LYS 135 8.335 -15.679 1.359 1032 H LYS 136 H LYS 136 2.427 -14.829 7.045 1033 HA LYS 136 HA LYS 136 1.334 -17.096 8.630 1034 1HB LYS 136 1HB LYS 136 2.998 -14.728 9.204 1035 2HB LYS 136 2HB LYS 136 1.760 -15.056 10.418 1036 1HG LYS 136 1HG LYS 136 2.785 -16.955 11.127 1037 2HG LYS 136 2HG LYS 136 3.203 -17.452 9.487 1038 1HD LYS 136 1HD LYS 136 4.711 -15.109 10.084 1039 2HD LYS 136 2HD LYS 136 4.888 -16.217 11.445 1040 1HE LYS 136 1HE LYS 136 6.093 -17.703 10.227 1041 2HE LYS 136 2HE LYS 136 5.042 -17.536 8.820 1042 1HZ LYS 136 1HZ LYS 136 6.359 -15.126 9.084 1043 2HZ LYS 136 2HZ LYS 136 7.547 -16.316 9.331 1044 3HZ LYS 136 3HZ LYS 136 6.626 -16.314 7.903 1045 H ALA 137 H ALA 137 -0.161 -15.196 6.708 1046 HA ALA 137 HA ALA 137 -1.898 -13.582 8.357 1047 1HB ALA 137 1HB ALA 137 -1.952 -14.557 5.518 1048 2HB ALA 137 2HB ALA 137 -3.410 -13.848 6.212 1049 3HB ALA 137 3HB ALA 137 -1.924 -12.903 6.128 1050 H MET 138 H MET 138 -1.808 -16.956 7.547 1051 HA MET 138 HA MET 138 -4.601 -17.334 8.496 1052 1HB MET 138 1HB MET 138 -2.841 -18.750 6.677 1053 2HB MET 138 2HB MET 138 -3.453 -19.839 7.922 1054 1HG MET 138 1HG MET 138 -5.743 -18.578 7.369 1055 2HG MET 138 2HG MET 138 -4.945 -18.343 5.813 1056 1HE MET 138 1HE MET 138 -5.803 -19.591 4.151 1057 2HE MET 138 2HE MET 138 -6.530 -21.203 4.226 1058 3HE MET 138 3HE MET 138 -7.284 -19.852 5.069 Start of MODEL 23 1 1H ALA 1 1H ALA 1 -19.358 1.289 12.716 2 2H ALA 1 2H ALA 1 -20.714 0.840 13.637 3 3H ALA 1 3H ALA 1 -19.188 0.202 14.011 4 HA ALA 1 HA ALA 1 -19.117 -1.024 11.968 5 1HB ALA 1 1HB ALA 1 -21.773 -1.327 13.403 6 2HB ALA 1 2HB ALA 1 -21.022 -2.547 12.374 7 3HB ALA 1 3HB ALA 1 -20.252 -2.074 13.888 8 H MET 2 H MET 2 -19.281 -0.107 9.938 9 HA MET 2 HA MET 2 -21.975 0.072 8.778 10 1HB MET 2 1HB MET 2 -21.407 2.354 9.834 11 2HB MET 2 2HB MET 2 -20.199 2.505 8.558 12 1HG MET 2 1HG MET 2 -22.757 1.619 7.493 13 2HG MET 2 2HG MET 2 -22.910 3.154 8.351 14 1HE MET 2 1HE MET 2 -22.798 1.607 5.495 15 2HE MET 2 2HE MET 2 -23.249 3.192 4.870 16 3HE MET 2 3HE MET 2 -21.787 2.389 4.282 17 H THR 3 H THR 3 -20.464 -1.812 7.917 18 HA THR 3 HA THR 3 -18.298 -1.525 6.216 19 HB THR 3 HB THR 3 -19.533 -3.306 4.756 20 HG1 THR 3 HG1 THR 3 -21.612 -2.957 5.347 21 1HG2 THR 3 1HG2 THR 3 -18.340 -3.390 7.397 22 2HG2 THR 3 2HG2 THR 3 -19.498 -4.703 7.176 23 3HG2 THR 3 3HG2 THR 3 -18.152 -4.513 6.052 24 H TYR 4 H TYR 4 -17.912 -0.308 4.491 25 HA TYR 4 HA TYR 4 -20.240 0.655 2.875 26 1HB TYR 4 1HB TYR 4 -18.871 2.660 2.368 27 2HB TYR 4 2HB TYR 4 -19.137 2.494 4.104 28 HD1 TYR 4 HD1 TYR 4 -16.697 1.763 1.383 29 HD2 TYR 4 HD2 TYR 4 -17.312 2.273 5.601 30 HE1 TYR 4 HE1 TYR 4 -14.254 1.698 1.742 31 HE2 TYR 4 HE2 TYR 4 -14.855 2.205 5.971 32 HH TYR 4 HH TYR 4 -12.604 1.974 3.219 33 H HIS 5 H HIS 5 -18.957 1.557 0.650 34 HA HIS 5 HA HIS 5 -17.541 -0.889 -0.317 35 1HB HIS 5 1HB HIS 5 -19.417 -0.821 -1.675 36 2HB HIS 5 2HB HIS 5 -19.559 0.932 -1.561 37 HD1 HIS 5 HD1 HIS 5 -18.547 -1.629 -3.879 38 HD2 HIS 5 HD2 HIS 5 -17.218 2.216 -3.009 39 HE1 HIS 5 HE1 HIS 5 -17.154 -0.884 -5.859 40 H LEU 6 H LEU 6 -15.635 -0.600 -1.582 41 HA LEU 6 HA LEU 6 -14.719 2.192 -1.859 42 1HB LEU 6 1HB LEU 6 -12.737 1.937 -0.697 43 2HB LEU 6 2HB LEU 6 -13.775 0.865 0.234 44 HG LEU 6 HG LEU 6 -13.017 -0.945 -1.450 45 1HD1 LEU 6 1HD1 LEU 6 -11.398 1.381 -2.186 46 2HD1 LEU 6 2HD1 LEU 6 -10.419 -0.048 -1.848 47 3HD1 LEU 6 3HD1 LEU 6 -11.684 -0.114 -3.077 48 1HD2 LEU 6 1HD2 LEU 6 -11.733 0.173 0.939 49 2HD2 LEU 6 2HD2 LEU 6 -12.136 -1.501 0.558 50 3HD2 LEU 6 3HD2 LEU 6 -10.643 -0.789 -0.057 51 H ASP 7 H ASP 7 -12.857 2.364 -3.422 52 HA ASP 7 HA ASP 7 -12.477 0.029 -5.174 53 1HB ASP 7 1HB ASP 7 -14.639 1.287 -5.864 54 2HB ASP 7 2HB ASP 7 -13.544 2.539 -6.453 55 H VAL 8 H VAL 8 -10.244 0.204 -4.855 56 HA VAL 8 HA VAL 8 -8.992 2.782 -5.705 57 HB VAL 8 HB VAL 8 -8.312 2.219 -3.470 58 1HG1 VAL 8 1HG1 VAL 8 -7.688 -0.535 -4.585 59 2HG1 VAL 8 2HG1 VAL 8 -7.334 -0.002 -2.942 60 3HG1 VAL 8 3HG1 VAL 8 -9.007 -0.137 -3.484 61 1HG2 VAL 8 1HG2 VAL 8 -6.494 2.242 -5.673 62 2HG2 VAL 8 2HG2 VAL 8 -6.197 2.764 -4.015 63 3HG2 VAL 8 3HG2 VAL 8 -5.882 1.093 -4.483 64 H VAL 9 H VAL 9 -8.390 2.653 -7.828 65 HA VAL 9 HA VAL 9 -7.171 0.080 -8.746 66 HB VAL 9 HB VAL 9 -8.184 0.346 -10.889 67 1HG1 VAL 9 1HG1 VAL 9 -10.163 1.151 -8.735 68 2HG1 VAL 9 2HG1 VAL 9 -10.607 0.539 -10.329 69 3HG1 VAL 9 3HG1 VAL 9 -9.735 -0.496 -9.199 70 1HG2 VAL 9 1HG2 VAL 9 -8.627 3.158 -9.928 71 2HG2 VAL 9 2HG2 VAL 9 -7.975 2.598 -11.468 72 3HG2 VAL 9 3HG2 VAL 9 -9.706 2.487 -11.152 73 H SER 10 H SER 10 -5.688 0.438 -10.679 74 HA SER 10 HA SER 10 -4.598 2.994 -11.304 75 1HB SER 10 1HB SER 10 -2.335 2.161 -9.965 76 2HB SER 10 2HB SER 10 -3.440 3.410 -9.400 77 HG SER 10 HG SER 10 -3.143 1.791 -7.827 78 H ALA 11 H ALA 11 -4.461 2.110 -13.392 79 HA ALA 11 HA ALA 11 -3.392 0.986 -15.156 80 1HB ALA 11 1HB ALA 11 -1.371 1.612 -13.495 81 2HB ALA 11 2HB ALA 11 -1.301 -0.144 -13.358 82 3HB ALA 11 3HB ALA 11 -1.129 0.625 -14.936 83 H GLU 12 H GLU 12 -4.619 -0.744 -15.763 84 HA GLU 12 HA GLU 12 -5.410 -2.950 -15.848 85 1HB GLU 12 1HB GLU 12 -3.009 -3.421 -14.054 86 2HB GLU 12 2HB GLU 12 -3.965 -4.694 -14.813 87 1HG GLU 12 1HG GLU 12 -2.853 -2.507 -16.536 88 2HG GLU 12 2HG GLU 12 -1.774 -3.792 -15.990 89 H GLN 13 H GLN 13 -7.273 -2.108 -14.598 90 HA GLN 13 HA GLN 13 -7.594 -1.965 -11.853 91 1HB GLN 13 1HB GLN 13 -9.568 -3.338 -13.703 92 2HB GLN 13 2HB GLN 13 -9.933 -2.526 -12.179 93 1HG GLN 13 1HG GLN 13 -10.378 -0.735 -13.515 94 2HG GLN 13 2HG GLN 13 -8.625 -0.540 -13.520 95 1HE2 GLN 13 1HE2 GLN 13 -9.157 0.468 -15.755 96 2HE2 GLN 13 2HE2 GLN 13 -9.238 -0.590 -17.080 97 H GLN 14 H GLN 14 -6.822 -3.386 -10.363 98 HA GLN 14 HA GLN 14 -7.807 -6.093 -10.237 99 1HB GLN 14 1HB GLN 14 -5.768 -7.318 -10.653 100 2HB GLN 14 2HB GLN 14 -6.054 -6.283 -12.053 101 1HG GLN 14 1HG GLN 14 -4.045 -5.320 -11.741 102 2HG GLN 14 2HG GLN 14 -4.568 -4.765 -10.150 103 1HE2 GLN 14 2HE2 GLN 14 -3.127 -7.612 -11.803 104 2HE2 GLN 14 1HE2 GLN 14 -2.316 -8.191 -10.428 105 H MET 15 H MET 15 -7.981 -4.193 -8.344 106 HA MET 15 HA MET 15 -6.005 -5.105 -6.302 107 1HB MET 15 1HB MET 15 -6.968 -2.259 -6.731 108 2HB MET 15 2HB MET 15 -5.971 -2.796 -5.376 109 1HG MET 15 1HG MET 15 -4.701 -3.767 -7.702 110 2HG MET 15 2HG MET 15 -5.159 -2.102 -8.062 111 1HE MET 15 1HE MET 15 -2.498 -3.584 -7.873 112 2HE MET 15 2HE MET 15 -1.366 -2.966 -6.673 113 3HE MET 15 3HE MET 15 -2.440 -4.312 -6.269 114 H PHE 16 H PHE 16 -8.525 -2.679 -5.833 115 HA PHE 16 HA PHE 16 -10.232 -4.716 -4.493 116 1HB PHE 16 1HB PHE 16 -8.647 -3.529 -2.850 117 2HB PHE 16 2HB PHE 16 -9.591 -2.076 -3.171 118 HD1 PHE 16 HD1 PHE 16 -9.650 -5.454 -1.686 119 HD2 PHE 16 HD2 PHE 16 -11.912 -1.895 -2.455 120 HE1 PHE 16 HE1 PHE 16 -11.392 -6.206 -0.090 121 HE2 PHE 16 HE2 PHE 16 -13.642 -2.630 -0.878 122 HZ PHE 16 HZ PHE 16 -13.392 -4.797 0.319 123 H SER 17 H SER 17 -12.313 -4.427 -5.132 124 HA SER 17 HA SER 17 -13.426 -1.745 -5.491 125 1HB SER 17 1HB SER 17 -14.094 -2.159 -7.865 126 2HB SER 17 2HB SER 17 -12.351 -2.016 -7.663 127 HG SER 17 HG SER 17 -13.935 -4.280 -8.160 128 H GLY 18 H GLY 18 -14.767 -2.700 -3.786 129 1HA GLY 18 1HA GLY 18 -17.248 -3.719 -4.718 130 2HA GLY 18 2HA GLY 18 -16.299 -5.079 -4.118 131 H LEU 19 H LEU 19 -17.545 -5.466 -2.267 132 HA LEU 19 HA LEU 19 -18.347 -3.366 -0.459 133 1HB LEU 19 1HB LEU 19 -18.064 -6.332 0.095 134 2HB LEU 19 2HB LEU 19 -19.018 -5.177 1.027 135 HG LEU 19 HG LEU 19 -19.507 -6.186 -1.773 136 1HD1 LEU 19 1HD1 LEU 19 -20.566 -6.757 0.768 137 2HD1 LEU 19 2HD1 LEU 19 -21.793 -5.780 -0.038 138 3HD1 LEU 19 3HD1 LEU 19 -21.217 -7.268 -0.790 139 1HD2 LEU 19 1HD2 LEU 19 -19.594 -3.679 -1.794 140 2HD2 LEU 19 2HD2 LEU 19 -21.174 -4.417 -2.076 141 3HD2 LEU 19 3HD2 LEU 19 -20.787 -3.745 -0.493 142 H VAL 20 H VAL 20 -17.527 -3.117 1.767 143 HA VAL 20 HA VAL 20 -15.000 -4.198 2.582 144 HB VAL 20 HB VAL 20 -13.710 -3.013 1.113 145 1HG1 VAL 20 1HG1 VAL 20 -16.128 -1.237 0.855 146 2HG1 VAL 20 2HG1 VAL 20 -14.584 -0.776 0.146 147 3HG1 VAL 20 3HG1 VAL 20 -15.377 -2.260 -0.368 148 1HG2 VAL 20 1HG2 VAL 20 -14.511 -0.810 3.040 149 2HG2 VAL 20 2HG2 VAL 20 -13.102 -1.873 3.156 150 3HG2 VAL 20 3HG2 VAL 20 -13.198 -0.672 1.868 151 H GLU 21 H GLU 21 -14.164 -2.984 4.558 152 HA GLU 21 HA GLU 21 -16.240 -1.216 5.764 153 1HB GLU 21 1HB GLU 21 -16.581 -3.612 6.496 154 2HB GLU 21 2HB GLU 21 -14.985 -3.546 7.239 155 1HG GLU 21 1HG GLU 21 -15.766 -1.524 8.535 156 2HG GLU 21 2HG GLU 21 -17.390 -1.840 7.922 157 H LYS 22 H LYS 22 -13.067 -2.731 6.522 158 HA LYS 22 HA LYS 22 -12.156 0.006 7.285 159 1HB LYS 22 1HB LYS 22 -12.465 -2.273 8.980 160 2HB LYS 22 2HB LYS 22 -10.743 -1.924 8.831 161 1HG LYS 22 1HG LYS 22 -11.935 0.589 9.113 162 2HG LYS 22 2HG LYS 22 -12.802 -0.439 10.254 163 1HD LYS 22 1HD LYS 22 -10.777 -1.087 11.354 164 2HD LYS 22 2HD LYS 22 -9.783 -0.387 10.076 165 1HE LYS 22 1HE LYS 22 -9.679 1.284 11.698 166 2HE LYS 22 2HE LYS 22 -11.036 1.838 10.717 167 1HZ LYS 22 1HZ LYS 22 -11.589 0.001 12.927 168 2HZ LYS 22 2HZ LYS 22 -11.230 1.614 13.309 169 3HZ LYS 22 3HZ LYS 22 -12.545 1.255 12.295 170 H ILE 23 H ILE 23 -10.625 0.533 5.794 171 HA ILE 23 HA ILE 23 -8.790 -1.599 4.807 172 HB ILE 23 HB ILE 23 -8.257 -0.134 2.989 173 1HG1 ILE 23 1HG1 ILE 23 -9.892 2.164 3.552 174 2HG1 ILE 23 2HG1 ILE 23 -8.789 1.904 4.899 175 1HG2 ILE 23 1HG2 ILE 23 -10.947 -0.828 3.625 176 2HG2 ILE 23 2HG2 ILE 23 -10.973 0.765 2.866 177 3HG2 ILE 23 3HG2 ILE 23 -10.233 -0.601 2.028 178 1HD1 ILE 23 1HD1 ILE 23 -7.694 1.675 2.129 179 2HD1 ILE 23 2HD1 ILE 23 -8.031 3.288 2.757 180 3HD1 ILE 23 3HD1 ILE 23 -6.900 2.230 3.603 181 H GLN 24 H GLN 24 -6.572 0.099 4.215 182 HA GLN 24 HA GLN 24 -5.837 1.609 6.586 183 1HB GLN 24 1HB GLN 24 -5.619 -1.105 6.924 184 2HB GLN 24 2HB GLN 24 -4.006 -0.688 6.343 185 1HG GLN 24 1HG GLN 24 -4.229 1.284 8.094 186 2HG GLN 24 2HG GLN 24 -5.408 0.203 8.838 187 1HE2 GLN 24 2HE2 GLN 24 -3.911 -0.145 10.677 188 2HE2 GLN 24 1HE2 GLN 24 -2.557 -1.153 10.500 189 H VAL 25 H VAL 25 -3.634 2.481 6.397 190 HA VAL 25 HA VAL 25 -2.191 1.984 3.886 191 HB VAL 25 HB VAL 25 -2.868 4.847 4.374 192 1HG1 VAL 25 1HG1 VAL 25 -2.041 3.066 2.123 193 2HG1 VAL 25 2HG1 VAL 25 -2.961 4.519 1.734 194 3HG1 VAL 25 3HG1 VAL 25 -1.421 4.651 2.583 195 1HG2 VAL 25 1HG2 VAL 25 -5.035 3.533 4.476 196 2HG2 VAL 25 2HG2 VAL 25 -4.948 4.705 3.162 197 3HG2 VAL 25 3HG2 VAL 25 -4.700 2.990 2.832 198 H THR 26 H THR 26 -0.144 1.842 4.600 199 HA THR 26 HA THR 26 0.696 3.636 6.837 200 HB THR 26 HB THR 26 1.832 0.965 5.953 201 HG1 THR 26 HG1 THR 26 1.101 0.531 8.209 202 1HG2 THR 26 1HG2 THR 26 3.372 2.845 6.960 203 2HG2 THR 26 2HG2 THR 26 2.579 2.408 8.474 204 3HG2 THR 26 3HG2 THR 26 3.489 1.195 7.573 205 H GLY 27 H GLY 27 1.744 5.363 5.989 206 1HA GLY 27 1HA GLY 27 4.059 4.885 4.233 207 2HA GLY 27 2HA GLY 27 2.770 5.862 3.526 208 H SER 28 H SER 28 4.017 5.783 6.868 209 HA SER 28 HA SER 28 4.816 7.529 8.216 210 1HB SER 28 1HB SER 28 6.057 7.840 5.593 211 2HB SER 28 2HB SER 28 5.900 9.378 6.437 212 HG SER 28 HG SER 28 7.581 7.328 6.907 213 H GLU 29 H GLU 29 4.589 9.989 8.544 214 HA GLU 29 HA GLU 29 3.100 11.792 8.765 215 1HB GLU 29 1HB GLU 29 2.216 11.328 5.934 216 2HB GLU 29 2HB GLU 29 2.552 12.849 6.761 217 1HG GLU 29 1HG GLU 29 4.978 11.472 6.858 218 2HG GLU 29 2HG GLU 29 4.360 11.141 5.240 219 H GLY 30 H GLY 30 2.069 9.329 9.641 220 1HA GLY 30 1HA GLY 30 -0.246 9.107 10.491 221 2HA GLY 30 2HA GLY 30 -0.812 9.653 8.911 222 H GLU 31 H GLU 31 -1.809 7.280 9.913 223 HA GLU 31 HA GLU 31 -1.010 5.412 7.831 224 1HB GLU 31 1HB GLU 31 -0.398 3.580 9.454 225 2HB GLU 31 2HB GLU 31 0.778 4.893 9.379 226 1HG GLU 31 1HG GLU 31 0.414 5.478 11.532 227 2HG GLU 31 2HG GLU 31 -1.337 5.393 11.338 228 H LEU 32 H LEU 32 -3.423 6.216 7.812 229 HA LEU 32 HA LEU 32 -5.018 4.153 9.276 230 1HB LEU 32 1HB LEU 32 -5.331 7.090 9.286 231 2HB LEU 32 2HB LEU 32 -6.825 6.194 8.962 232 HG LEU 32 HG LEU 32 -4.955 5.607 11.285 233 1HD1 LEU 32 1HD1 LEU 32 -7.273 7.468 10.974 234 2HD1 LEU 32 2HD1 LEU 32 -7.150 6.557 12.479 235 3HD1 LEU 32 3HD1 LEU 32 -5.836 7.623 11.984 236 1HD2 LEU 32 1HD2 LEU 32 -7.423 4.406 10.169 237 2HD2 LEU 32 2HD2 LEU 32 -6.150 3.664 11.137 238 3HD2 LEU 32 3HD2 LEU 32 -7.412 4.616 11.919 239 H GLY 33 H GLY 33 -6.775 3.312 8.117 240 1HA GLY 33 1HA GLY 33 -6.699 3.887 5.202 241 2HA GLY 33 2HA GLY 33 -7.374 2.429 5.932 242 H ILE 34 H ILE 34 -9.541 2.430 6.478 243 HA ILE 34 HA ILE 34 -10.939 4.972 6.832 244 HB ILE 34 HB ILE 34 -11.328 3.265 4.381 245 1HG1 ILE 34 1HG1 ILE 34 -10.043 5.371 4.271 246 2HG1 ILE 34 2HG1 ILE 34 -11.562 5.530 3.383 247 1HG2 ILE 34 1HG2 ILE 34 -13.514 3.395 5.696 248 2HG2 ILE 34 2HG2 ILE 34 -13.436 5.140 5.494 249 3HG2 ILE 34 3HG2 ILE 34 -13.570 4.095 4.082 250 1HD1 ILE 34 1HD1 ILE 34 -12.447 6.265 5.793 251 2HD1 ILE 34 2HD1 ILE 34 -10.752 6.748 5.983 252 3HD1 ILE 34 3HD1 ILE 34 -11.726 7.431 4.673 253 H TYR 35 H TYR 35 -13.143 4.629 7.605 254 HA TYR 35 HA TYR 35 -13.829 1.882 8.450 255 1HB TYR 35 1HB TYR 35 -14.188 3.338 10.795 256 2HB TYR 35 2HB TYR 35 -12.906 2.166 10.506 257 HD1 TYR 35 HD1 TYR 35 -10.746 3.066 9.328 258 HD2 TYR 35 HD2 TYR 35 -13.669 5.589 11.213 259 HE1 TYR 35 HE1 TYR 35 -9.079 4.892 9.457 260 HE2 TYR 35 HE2 TYR 35 -11.998 7.416 11.350 261 HH TYR 35 HH TYR 35 -8.764 7.058 9.918 262 HA PRO 36 HA PRO 36 -17.930 3.447 8.271 263 1HB PRO 36 1HB PRO 36 -19.125 2.382 10.512 264 2HB PRO 36 2HB PRO 36 -18.728 1.438 9.065 265 1HG PRO 36 1HG PRO 36 -17.344 1.495 11.712 266 2HG PRO 36 2HG PRO 36 -17.443 0.184 10.525 267 1HD PRO 36 1HD PRO 36 -15.222 1.864 10.903 268 2HD PRO 36 2HD PRO 36 -15.508 0.844 9.479 269 H GLY 37 H GLY 37 -16.995 5.673 8.748 270 1HA GLY 37 1HA GLY 37 -18.368 7.454 10.093 271 2HA GLY 37 2HA GLY 37 -17.639 6.653 11.486 272 H HIS 38 H HIS 38 -16.301 7.559 8.293 273 HA HIS 38 HA HIS 38 -14.081 8.917 9.762 274 1HB HIS 38 1HB HIS 38 -13.529 6.970 8.229 275 2HB HIS 38 2HB HIS 38 -14.067 7.978 6.884 276 HD1 HIS 38 HD1 HIS 38 -12.104 9.017 5.770 277 HD2 HIS 38 HD2 HIS 38 -11.562 8.785 9.897 278 HE1 HIS 38 HE1 HIS 38 -9.857 10.081 6.260 279 H ALA 39 H ALA 39 -16.895 9.692 8.272 280 HA ALA 39 HA ALA 39 -17.710 11.730 7.432 281 1HB ALA 39 1HB ALA 39 -15.190 12.432 8.773 282 2HB ALA 39 2HB ALA 39 -15.617 13.532 7.463 283 3HB ALA 39 3HB ALA 39 -16.743 13.267 8.793 284 HA PRO 40 HA PRO 40 -16.372 11.681 3.250 285 1HB PRO 40 1HB PRO 40 -17.543 14.014 2.391 286 2HB PRO 40 2HB PRO 40 -18.450 12.526 2.720 287 1HG PRO 40 1HG PRO 40 -18.289 15.024 4.343 288 2HG PRO 40 2HG PRO 40 -19.588 13.822 4.260 289 1HD PRO 40 1HD PRO 40 -17.663 14.041 6.323 290 2HD PRO 40 2HD PRO 40 -18.748 12.662 6.049 291 H LEU 41 H LEU 41 -14.053 12.051 3.680 292 HA LEU 41 HA LEU 41 -13.180 14.893 3.589 293 1HB LEU 41 1HB LEU 41 -11.339 12.523 3.863 294 2HB LEU 41 2HB LEU 41 -11.102 14.176 4.430 295 HG LEU 41 HG LEU 41 -13.009 12.107 5.547 296 1HD1 LEU 41 1HD1 LEU 41 -10.665 13.645 6.704 297 2HD1 LEU 41 2HD1 LEU 41 -11.717 12.574 7.630 298 3HD1 LEU 41 3HD1 LEU 41 -10.707 11.919 6.341 299 1HD2 LEU 41 1HD2 LEU 41 -14.083 14.350 5.417 300 2HD2 LEU 41 2HD2 LEU 41 -13.775 13.861 7.084 301 3HD2 LEU 41 3HD2 LEU 41 -12.717 15.034 6.300 302 H LEU 42 H LEU 42 -12.080 15.712 1.825 303 HA LEU 42 HA LEU 42 -11.637 13.827 -0.458 304 1HB LEU 42 1HB LEU 42 -12.359 16.771 -0.601 305 2HB LEU 42 2HB LEU 42 -12.161 15.677 -1.970 306 HG LEU 42 HG LEU 42 -14.235 15.395 0.225 307 1HD1 LEU 42 1HD1 LEU 42 -14.341 16.367 -2.635 308 2HD1 LEU 42 2HD1 LEU 42 -15.776 15.767 -1.803 309 3HD1 LEU 42 3HD1 LEU 42 -14.924 17.181 -1.183 310 1HD2 LEU 42 1HD2 LEU 42 -13.221 13.602 -1.888 311 2HD2 LEU 42 2HD2 LEU 42 -14.122 13.215 -0.422 312 3HD2 LEU 42 3HD2 LEU 42 -14.976 13.769 -1.863 313 H THR 43 H THR 43 -9.429 13.508 0.224 314 HA THR 43 HA THR 43 -7.691 15.868 -0.361 315 HB THR 43 HB THR 43 -6.253 15.349 1.468 316 HG1 THR 43 HG1 THR 43 -6.770 13.432 2.748 317 1HG2 THR 43 1HG2 THR 43 -8.840 16.107 1.880 318 2HG2 THR 43 2HG2 THR 43 -8.743 14.682 2.914 319 3HG2 THR 43 3HG2 THR 43 -7.624 16.025 3.154 320 H ALA 44 H ALA 44 -5.276 14.291 0.057 321 HA ALA 44 HA ALA 44 -5.414 12.678 -2.441 322 1HB ALA 44 1HB ALA 44 -3.330 14.288 -1.090 323 2HB ALA 44 2HB ALA 44 -2.762 12.782 -1.811 324 3HB ALA 44 3HB ALA 44 -3.579 13.985 -2.809 325 H ILE 45 H ILE 45 -3.847 10.705 -2.380 326 HA ILE 45 HA ILE 45 -4.477 9.190 0.104 327 HB ILE 45 HB ILE 45 -5.124 8.329 -2.219 328 1HG1 ILE 45 1HG1 ILE 45 -3.311 6.295 -1.040 329 2HG1 ILE 45 2HG1 ILE 45 -4.479 7.017 0.068 330 1HG2 ILE 45 1HG2 ILE 45 -2.671 9.010 -2.996 331 2HG2 ILE 45 2HG2 ILE 45 -2.299 7.373 -2.454 332 3HG2 ILE 45 3HG2 ILE 45 -3.502 7.632 -3.717 333 1HD1 ILE 45 1HD1 ILE 45 -6.260 6.533 -1.685 334 2HD1 ILE 45 2HD1 ILE 45 -5.048 5.564 -2.524 335 3HD1 ILE 45 3HD1 ILE 45 -5.567 5.115 -0.899 336 H LYS 46 H LYS 46 -2.702 7.542 0.718 337 HA LYS 46 HA LYS 46 -0.045 8.899 0.506 338 1HB LYS 46 1HB LYS 46 -1.199 7.212 2.749 339 2HB LYS 46 2HB LYS 46 0.460 7.809 2.704 340 1HG LYS 46 1HG LYS 46 -2.083 9.450 2.808 341 2HG LYS 46 2HG LYS 46 -0.805 9.373 4.022 342 1HD LYS 46 1HD LYS 46 0.779 10.264 2.241 343 2HD LYS 46 2HD LYS 46 -0.648 10.583 1.254 344 1HE LYS 46 1HE LYS 46 -1.071 11.583 3.927 345 2HE LYS 46 2HE LYS 46 0.433 12.234 3.277 346 1HZ LYS 46 1HZ LYS 46 -0.907 12.722 1.204 347 2HZ LYS 46 2HZ LYS 46 -2.289 12.431 2.141 348 3HZ LYS 46 3HZ LYS 46 -1.229 13.690 2.563 349 HA PRO 47 HA PRO 47 1.311 5.157 -1.405 350 1HB PRO 47 1HB PRO 47 4.009 5.648 -1.230 351 2HB PRO 47 2HB PRO 47 2.947 6.437 -2.408 352 1HG PRO 47 1HG PRO 47 4.156 7.560 0.076 353 2HG PRO 47 2HG PRO 47 3.646 8.397 -1.400 354 1HD PRO 47 1HD PRO 47 2.206 8.303 1.037 355 2HD PRO 47 2HD PRO 47 1.575 8.850 -0.530 356 H GLY 48 H GLY 48 2.087 3.108 -0.734 357 1HA GLY 48 1HA GLY 48 3.822 2.199 1.065 358 2HA GLY 48 2HA GLY 48 2.621 2.862 2.175 359 H MET 49 H MET 49 2.024 0.821 3.018 360 HA MET 49 HA MET 49 0.872 -1.136 1.086 361 1HB MET 49 1HB MET 49 0.956 -2.738 2.929 362 2HB MET 49 2HB MET 49 2.530 -1.959 2.764 363 1HG MET 49 1HG MET 49 2.254 -1.688 5.033 364 2HG MET 49 2HG MET 49 1.410 -0.239 4.491 365 1HE MET 49 1HE MET 49 1.341 -3.798 4.904 366 2HE MET 49 2HE MET 49 0.274 -4.043 6.283 367 3HE MET 49 3HE MET 49 -0.351 -4.244 4.648 368 H ILE 50 H ILE 50 -1.181 -2.301 2.101 369 HA ILE 50 HA ILE 50 -2.846 -0.410 3.646 370 HB ILE 50 HB ILE 50 -3.501 0.399 1.545 371 1HG1 ILE 50 1HG1 ILE 50 -5.309 -1.988 2.070 372 2HG1 ILE 50 2HG1 ILE 50 -5.504 -0.374 2.748 373 1HG2 ILE 50 1HG2 ILE 50 -2.487 -2.152 0.665 374 2HG2 ILE 50 2HG2 ILE 50 -4.065 -1.858 -0.065 375 3HG2 ILE 50 3HG2 ILE 50 -2.763 -0.688 -0.280 376 1HD1 ILE 50 1HD1 ILE 50 -5.276 -0.417 -0.185 377 2HD1 ILE 50 2HD1 ILE 50 -6.701 -1.249 0.439 378 3HD1 ILE 50 3HD1 ILE 50 -6.423 0.444 0.843 379 H ARG 51 H ARG 51 -4.666 -1.421 4.612 380 HA ARG 51 HA ARG 51 -4.687 -4.410 4.417 381 1HB ARG 51 1HB ARG 51 -3.923 -3.062 6.640 382 2HB ARG 51 2HB ARG 51 -5.666 -3.103 6.908 383 1HG ARG 51 1HG ARG 51 -5.630 -5.571 6.531 384 2HG ARG 51 2HG ARG 51 -3.872 -5.492 6.390 385 1HD ARG 51 1HD ARG 51 -4.395 -4.118 8.751 386 2HD ARG 51 2HD ARG 51 -5.543 -5.457 8.788 387 HE ARG 51 HE ARG 51 -2.783 -6.207 8.101 388 1HH1 ARG 51 1HH2 ARG 51 -2.810 -5.039 10.882 389 2HH1 ARG 51 2HH2 ARG 51 -3.126 -6.440 11.850 390 1HH2 ARG 51 1HH1 ARG 51 -4.228 -8.361 9.183 391 2HH2 ARG 51 2HH1 ARG 51 -3.927 -8.321 10.888 392 H ILE 52 H ILE 52 -6.984 -5.220 5.255 393 HA ILE 52 HA ILE 52 -9.160 -3.330 4.930 394 HB ILE 52 HB ILE 52 -8.059 -4.457 2.587 395 1HG1 ILE 52 1HG1 ILE 52 -10.738 -3.252 2.413 396 2HG1 ILE 52 2HG1 ILE 52 -9.546 -2.299 3.294 397 1HG2 ILE 52 1HG2 ILE 52 -10.824 -5.527 3.223 398 2HG2 ILE 52 2HG2 ILE 52 -10.119 -5.513 1.607 399 3HG2 ILE 52 3HG2 ILE 52 -9.380 -6.478 2.884 400 1HD1 ILE 52 1HD1 ILE 52 -8.525 -3.513 0.815 401 2HD1 ILE 52 2HD1 ILE 52 -9.797 -2.318 0.564 402 3HD1 ILE 52 3HD1 ILE 52 -8.325 -1.871 1.426 403 H VAL 53 H VAL 53 -11.119 -4.163 5.620 404 HA VAL 53 HA VAL 53 -11.167 -7.050 6.359 405 HB VAL 53 HB VAL 53 -11.760 -4.658 8.112 406 1HG1 VAL 53 1HG1 VAL 53 -12.551 -7.554 8.549 407 2HG1 VAL 53 2HG1 VAL 53 -12.681 -6.273 9.753 408 3HG1 VAL 53 3HG1 VAL 53 -13.658 -6.207 8.287 409 1HG2 VAL 53 1HG2 VAL 53 -9.871 -6.998 8.140 410 2HG2 VAL 53 2HG2 VAL 53 -9.533 -5.292 8.435 411 3HG2 VAL 53 3HG2 VAL 53 -10.355 -6.254 9.663 412 H LYS 54 H LYS 54 -12.871 -7.923 5.361 413 HA LYS 54 HA LYS 54 -15.482 -7.777 5.544 414 1HB LYS 54 1HB LYS 54 -15.679 -5.383 5.488 415 2HB LYS 54 2HB LYS 54 -14.724 -5.280 4.011 416 1HG LYS 54 1HG LYS 54 -17.044 -5.038 3.388 417 2HG LYS 54 2HG LYS 54 -16.529 -6.639 2.864 418 1HD LYS 54 1HD LYS 54 -17.468 -6.763 5.590 419 2HD LYS 54 2HD LYS 54 -18.694 -6.016 4.568 420 1HE LYS 54 1HE LYS 54 -19.210 -8.010 3.664 421 2HE LYS 54 2HE LYS 54 -17.532 -8.247 3.171 422 1HZ LYS 54 1HZ LYS 54 -17.190 -8.832 5.642 423 2HZ LYS 54 2HZ LYS 54 -18.871 -9.080 5.658 424 3HZ LYS 54 3HZ LYS 54 -17.886 -9.988 4.614 425 H GLN 55 H GLN 55 -14.395 -6.419 2.466 426 HA GLN 55 HA GLN 55 -14.568 -7.401 0.321 427 1HB GLN 55 1HB GLN 55 -12.311 -8.041 0.959 428 2HB GLN 55 2HB GLN 55 -12.922 -9.423 1.870 429 1HG GLN 55 1HG GLN 55 -14.057 -9.827 -0.603 430 2HG GLN 55 2HG GLN 55 -12.494 -9.131 -1.026 431 1HE2 GLN 55 2HE2 GLN 55 -10.598 -10.399 -0.635 432 2HE2 GLN 55 1HE2 GLN 55 -10.659 -11.989 -0.045 433 H HIS 56 H HIS 56 -14.368 -10.599 1.712 434 HA HIS 56 HA HIS 56 -17.283 -10.990 1.202 435 1HB HIS 56 1HB HIS 56 -16.055 -11.853 -0.741 436 2HB HIS 56 2HB HIS 56 -15.024 -12.814 0.319 437 HD1 HIS 56 HD1 HIS 56 -15.952 -14.995 -0.873 438 HD2 HIS 56 HD2 HIS 56 -18.811 -12.793 1.214 439 HE1 HIS 56 HE1 HIS 56 -17.969 -16.503 -0.615 440 H GLY 57 H GLY 57 -14.336 -12.099 2.823 441 1HA GLY 57 1HA GLY 57 -15.674 -12.684 5.271 442 2HA GLY 57 2HA GLY 57 -15.475 -14.189 4.373 443 H HIS 58 H HIS 58 -13.291 -11.387 4.497 444 HA HIS 58 HA HIS 58 -11.412 -12.528 6.329 445 1HB HIS 58 1HB HIS 58 -11.387 -13.771 3.809 446 2HB HIS 58 2HB HIS 58 -10.010 -12.669 3.790 447 HD1 HIS 58 HD1 HIS 58 -7.951 -13.771 4.633 448 HD2 HIS 58 HD2 HIS 58 -11.347 -15.215 6.573 449 HE1 HIS 58 HE1 HIS 58 -7.144 -15.502 6.298 450 H GLU 59 H GLU 59 -9.056 -11.461 5.582 451 HA GLU 59 HA GLU 59 -9.686 -8.647 4.791 452 1HB GLU 59 1HB GLU 59 -7.818 -8.006 6.415 453 2HB GLU 59 2HB GLU 59 -9.322 -8.557 7.153 454 1HG GLU 59 1HG GLU 59 -8.285 -10.894 7.186 455 2HG GLU 59 2HG GLU 59 -6.753 -10.110 6.797 456 H GLU 60 H GLU 60 -8.094 -7.631 3.504 457 HA GLU 60 HA GLU 60 -5.730 -9.292 2.771 458 1HB GLU 60 1HB GLU 60 -7.940 -8.340 1.011 459 2HB GLU 60 2HB GLU 60 -6.301 -8.233 0.367 460 1HG GLU 60 1HG GLU 60 -5.944 -10.622 0.876 461 2HG GLU 60 2HG GLU 60 -7.587 -10.730 1.507 462 H PHE 61 H PHE 61 -4.127 -7.925 1.486 463 HA PHE 61 HA PHE 61 -4.312 -5.049 2.223 464 1HB PHE 61 1HB PHE 61 -1.682 -5.408 2.519 465 2HB PHE 61 2HB PHE 61 -2.804 -5.653 3.856 466 HD1 PHE 61 HD1 PHE 61 -0.928 -7.376 1.158 467 HD2 PHE 61 HD2 PHE 61 -3.127 -7.809 4.818 468 HE1 PHE 61 HE1 PHE 61 -0.205 -9.748 1.313 469 HE2 PHE 61 HE2 PHE 61 -2.409 -10.177 4.974 470 HZ PHE 61 HZ PHE 61 -0.948 -11.148 3.220 471 H ILE 62 H ILE 62 -3.622 -3.682 0.609 472 HA ILE 62 HA ILE 62 -2.497 -4.978 -1.837 473 HB ILE 62 HB ILE 62 -3.554 -2.219 -2.051 474 1HG1 ILE 62 1HG1 ILE 62 -5.460 -4.550 -1.670 475 2HG1 ILE 62 2HG1 ILE 62 -5.151 -3.325 -0.440 476 1HG2 ILE 62 1HG2 ILE 62 -3.704 -4.807 -3.599 477 2HG2 ILE 62 2HG2 ILE 62 -4.698 -3.418 -4.034 478 3HG2 ILE 62 3HG2 ILE 62 -2.940 -3.290 -4.073 479 1HD1 ILE 62 1HD1 ILE 62 -5.702 -1.672 -2.452 480 2HD1 ILE 62 2HD1 ILE 62 -6.595 -3.073 -3.044 481 3HD1 ILE 62 3HD1 ILE 62 -6.989 -2.375 -1.473 482 H TYR 63 H TYR 63 -1.674 -2.463 -3.008 483 HA TYR 63 HA TYR 63 0.083 -1.019 -1.248 484 1HB TYR 63 1HB TYR 63 1.464 -2.942 -1.109 485 2HB TYR 63 2HB TYR 63 1.219 -3.344 -2.807 486 HD1 TYR 63 HD1 TYR 63 2.237 -1.890 -4.587 487 HD2 TYR 63 HD2 TYR 63 3.191 -1.428 -0.426 488 HE1 TYR 63 HE1 TYR 63 4.262 -0.596 -5.197 489 HE2 TYR 63 HE2 TYR 63 5.216 -0.133 -1.035 490 HH TYR 63 HH TYR 63 5.831 0.876 -4.334 491 H LEU 64 H LEU 64 0.461 0.899 -2.270 492 HA LEU 64 HA LEU 64 0.802 0.953 -5.204 493 1HB LEU 64 1HB LEU 64 -0.941 2.696 -5.482 494 2HB LEU 64 2HB LEU 64 -1.631 1.172 -4.924 495 HG LEU 64 HG LEU 64 -0.749 3.010 -2.780 496 1HD1 LEU 64 1HD1 LEU 64 -3.149 3.636 -4.529 497 2HD1 LEU 64 2HD1 LEU 64 -2.779 4.417 -2.991 498 3HD1 LEU 64 3HD1 LEU 64 -1.700 4.628 -4.370 499 1HD2 LEU 64 1HD2 LEU 64 -2.338 0.741 -3.045 500 2HD2 LEU 64 2HD2 LEU 64 -2.248 1.774 -1.618 501 3HD2 LEU 64 3HD2 LEU 64 -3.510 2.041 -2.821 502 H SER 65 H SER 65 0.631 3.726 -5.535 503 HA SER 65 HA SER 65 2.109 5.117 -3.455 504 1HB SER 65 1HB SER 65 3.596 3.595 -5.380 505 2HB SER 65 2HB SER 65 3.875 5.308 -5.681 506 HG SER 65 HG SER 65 5.253 4.996 -4.091 507 H GLY 66 H GLY 66 1.650 7.265 -3.689 508 1HA GLY 66 1HA GLY 66 1.060 9.297 -4.723 509 2HA GLY 66 2HA GLY 66 1.493 8.567 -6.272 510 H GLY 67 H GLY 67 -0.830 10.200 -5.867 511 1HA GLY 67 1HA GLY 67 -2.864 9.528 -7.262 512 2HA GLY 67 2HA GLY 67 -3.010 8.171 -6.145 513 H ILE 68 H ILE 68 -5.219 9.606 -6.205 514 HA ILE 68 HA ILE 68 -5.053 11.381 -3.800 515 HB ILE 68 HB ILE 68 -6.868 11.615 -6.220 516 1HG1 ILE 68 1HG1 ILE 68 -4.717 13.411 -5.048 517 2HG1 ILE 68 2HG1 ILE 68 -4.626 12.531 -6.574 518 1HG2 ILE 68 1HG2 ILE 68 -7.896 12.077 -3.894 519 2HG2 ILE 68 2HG2 ILE 68 -6.810 13.465 -3.832 520 3HG2 ILE 68 3HG2 ILE 68 -8.029 13.354 -5.102 521 1HD1 ILE 68 1HD1 ILE 68 -6.940 14.379 -6.156 522 2HD1 ILE 68 2HD1 ILE 68 -5.365 15.088 -6.510 523 3HD1 ILE 68 3HD1 ILE 68 -6.098 13.956 -7.647 524 H LEU 69 H LEU 69 -6.620 11.022 -2.209 525 HA LEU 69 HA LEU 69 -8.276 8.576 -2.609 526 1HB LEU 69 1HB LEU 69 -6.872 8.220 -0.746 527 2HB LEU 69 2HB LEU 69 -7.054 9.879 -0.178 528 HG LEU 69 HG LEU 69 -9.519 8.204 -0.359 529 1HD1 LEU 69 1HD1 LEU 69 -7.256 7.792 1.583 530 2HD1 LEU 69 2HD1 LEU 69 -8.922 7.515 2.090 531 3HD1 LEU 69 3HD1 LEU 69 -8.240 6.583 0.757 532 1HD2 LEU 69 1HD2 LEU 69 -8.935 10.731 0.525 533 2HD2 LEU 69 2HD2 LEU 69 -10.330 9.793 1.061 534 3HD2 LEU 69 3HD2 LEU 69 -8.856 9.813 2.030 535 H GLU 70 H GLU 70 -10.471 8.757 -2.552 536 HA GLU 70 HA GLU 70 -11.665 11.273 -1.479 537 1HB GLU 70 1HB GLU 70 -11.516 11.389 -3.976 538 2HB GLU 70 2HB GLU 70 -12.488 9.920 -4.068 539 1HG GLU 70 1HG GLU 70 -13.821 11.731 -2.312 540 2HG GLU 70 2HG GLU 70 -13.391 12.619 -3.773 541 H VAL 71 H VAL 71 -12.915 10.557 0.204 542 HA VAL 71 HA VAL 71 -14.208 7.891 -0.046 543 HB VAL 71 HB VAL 71 -12.809 8.619 2.004 544 1HG1 VAL 71 1HG1 VAL 71 -13.908 10.855 2.204 545 2HG1 VAL 71 2HG1 VAL 71 -15.409 10.039 2.645 546 3HG1 VAL 71 3HG1 VAL 71 -13.995 9.911 3.692 547 1HG2 VAL 71 1HG2 VAL 71 -15.644 7.592 2.345 548 2HG2 VAL 71 2HG2 VAL 71 -14.225 6.613 1.976 549 3HG2 VAL 71 3HG2 VAL 71 -14.356 7.422 3.536 550 H GLN 72 H GLN 72 -16.481 7.679 0.597 551 HA GLN 72 HA GLN 72 -18.063 10.192 0.440 552 1HB GLN 72 1HB GLN 72 -17.901 8.127 -1.609 553 2HB GLN 72 2HB GLN 72 -19.552 8.321 -1.018 554 1HG GLN 72 1HG GLN 72 -19.749 10.197 -2.242 555 2HG GLN 72 2HG GLN 72 -18.453 10.928 -1.295 556 1HE2 GLN 72 2HE2 GLN 72 -18.912 11.276 -4.207 557 2HE2 GLN 72 1HE2 GLN 72 -17.515 10.698 -4.979 558 HA PRO 73 HA PRO 73 -20.615 8.243 3.427 559 1HB PRO 73 1HB PRO 73 -23.115 9.118 2.691 560 2HB PRO 73 2HB PRO 73 -21.898 10.156 3.453 561 1HG PRO 73 1HG PRO 73 -22.787 10.084 0.607 562 2HG PRO 73 2HG PRO 73 -22.097 11.427 1.533 563 1HD PRO 73 1HD PRO 73 -20.709 9.816 -0.338 564 2HD PRO 73 2HD PRO 73 -19.972 10.938 0.826 565 H GLY 74 H GLY 74 -20.081 6.076 2.257 566 1HA GLY 74 1HA GLY 74 -21.759 4.103 2.274 567 2HA GLY 74 2HA GLY 74 -22.517 4.964 0.934 568 H ASN 75 H ASN 75 -19.553 5.780 0.272 569 HA ASN 75 HA ASN 75 -18.346 3.292 -0.607 570 1HB ASN 75 1HB ASN 75 -18.674 3.521 -2.980 571 2HB ASN 75 2HB ASN 75 -20.268 3.616 -2.230 572 1HD2 ASN 75 2HD2 ASN 75 -21.482 5.245 -3.188 573 2HD2 ASN 75 1HD2 ASN 75 -20.874 6.740 -3.714 574 H VAL 76 H VAL 76 -16.357 3.790 -1.984 575 HA VAL 76 HA VAL 76 -15.451 6.586 -1.920 576 HB VAL 76 HB VAL 76 -14.776 6.052 0.279 577 1HG1 VAL 76 1HG1 VAL 76 -15.325 3.641 0.119 578 2HG1 VAL 76 2HG1 VAL 76 -13.830 3.382 -0.775 579 3HG1 VAL 76 3HG1 VAL 76 -13.768 3.910 0.904 580 1HG2 VAL 76 1HG2 VAL 76 -12.851 6.421 -1.692 581 2HG2 VAL 76 2HG2 VAL 76 -12.588 6.577 0.044 582 3HG2 VAL 76 3HG2 VAL 76 -12.240 5.051 -0.769 583 H THR 77 H THR 77 -13.751 6.937 -3.396 584 HA THR 77 HA THR 77 -12.651 4.543 -4.792 585 HB THR 77 HB THR 77 -13.562 6.979 -6.328 586 HG1 THR 77 HG1 THR 77 -15.099 4.674 -6.358 587 1HG2 THR 77 1HG2 THR 77 -12.258 4.466 -6.911 588 2HG2 THR 77 2HG2 THR 77 -13.776 4.589 -7.801 589 3HG2 THR 77 3HG2 THR 77 -12.545 5.840 -7.979 590 H VAL 78 H VAL 78 -10.514 4.832 -5.475 591 HA VAL 78 HA VAL 78 -9.327 7.545 -5.242 592 HB VAL 78 HB VAL 78 -7.624 6.883 -3.735 593 1HG1 VAL 78 1HG1 VAL 78 -10.131 6.936 -2.891 594 2HG1 VAL 78 2HG1 VAL 78 -9.851 5.217 -2.613 595 3HG1 VAL 78 3HG1 VAL 78 -8.839 6.416 -1.809 596 1HG2 VAL 78 1HG2 VAL 78 -8.529 4.051 -4.336 597 2HG2 VAL 78 2HG2 VAL 78 -6.961 4.775 -4.698 598 3HG2 VAL 78 3HG2 VAL 78 -7.417 4.450 -3.026 599 H LEU 79 H LEU 79 -7.578 7.845 -6.668 600 HA LEU 79 HA LEU 79 -6.974 5.503 -8.432 601 1HB LEU 79 1HB LEU 79 -7.319 8.434 -9.032 602 2HB LEU 79 2HB LEU 79 -6.360 7.410 -10.100 603 HG LEU 79 HG LEU 79 -8.501 5.825 -9.881 604 1HD1 LEU 79 1HD1 LEU 79 -9.324 8.165 -8.537 605 2HD1 LEU 79 2HD1 LEU 79 -10.144 8.197 -10.099 606 3HD1 LEU 79 3HD1 LEU 79 -10.340 6.809 -9.028 607 1HD2 LEU 79 1HD2 LEU 79 -7.532 6.792 -11.967 608 2HD2 LEU 79 2HD2 LEU 79 -9.296 6.792 -11.988 609 3HD2 LEU 79 3HD2 LEU 79 -8.419 8.285 -11.658 610 H ALA 80 H ALA 80 -4.793 5.180 -9.023 611 HA ALA 80 HA ALA 80 -2.782 7.000 -7.791 612 1HB ALA 80 1HB ALA 80 -3.190 4.086 -7.242 613 2HB ALA 80 2HB ALA 80 -1.536 4.695 -7.313 614 3HB ALA 80 3HB ALA 80 -2.675 5.370 -6.148 615 H ASP 81 H ASP 81 -0.476 5.862 -8.559 616 HA ASP 81 HA ASP 81 -0.771 5.698 -11.524 617 1HB ASP 81 1HB ASP 81 0.644 7.532 -10.852 618 2HB ASP 81 2HB ASP 81 1.563 6.493 -9.762 619 H THR 82 H THR 82 1.033 4.234 -8.806 620 HA THR 82 HA THR 82 1.683 1.932 -10.577 621 HB THR 82 HB THR 82 3.466 3.098 -9.162 622 HG1 THR 82 HG1 THR 82 4.467 1.244 -9.158 623 1HG2 THR 82 1HG2 THR 82 1.909 1.687 -6.981 624 2HG2 THR 82 2HG2 THR 82 3.535 2.337 -6.778 625 3HG2 THR 82 3HG2 THR 82 2.189 3.423 -7.124 626 H ALA 83 H ALA 83 1.779 -0.193 -8.986 627 HA ALA 83 HA ALA 83 -0.253 -0.480 -7.007 628 1HB ALA 83 1HB ALA 83 -1.084 -0.875 -9.859 629 2HB ALA 83 2HB ALA 83 -1.747 -1.953 -8.630 630 3HB ALA 83 3HB ALA 83 -2.004 -0.211 -8.509 631 H ILE 84 H ILE 84 1.802 -1.610 -6.378 632 HA ILE 84 HA ILE 84 2.083 -4.277 -7.680 633 HB ILE 84 HB ILE 84 3.957 -2.671 -5.927 634 1HG1 ILE 84 1HG1 ILE 84 5.384 -3.175 -8.086 635 2HG1 ILE 84 2HG1 ILE 84 3.806 -3.435 -8.829 636 1HG2 ILE 84 1HG2 ILE 84 3.951 -5.560 -6.728 637 2HG2 ILE 84 2HG2 ILE 84 5.493 -4.708 -6.631 638 3HG2 ILE 84 3HG2 ILE 84 4.457 -4.823 -5.207 639 1HD1 ILE 84 1HD1 ILE 84 3.767 -1.037 -7.210 640 2HD1 ILE 84 2HD1 ILE 84 5.075 -0.961 -8.389 641 3HD1 ILE 84 3HD1 ILE 84 3.417 -1.222 -8.929 642 H ARG 85 H ARG 85 0.085 -4.937 -6.466 643 HA ARG 85 HA ARG 85 -0.290 -4.970 -3.713 644 1HB ARG 85 1HB ARG 85 -1.786 -5.996 -5.513 645 2HB ARG 85 2HB ARG 85 -0.743 -7.415 -5.442 646 1HG ARG 85 1HG ARG 85 -1.283 -6.900 -2.771 647 2HG ARG 85 2HG ARG 85 -2.814 -6.536 -3.568 648 1HD ARG 85 1HD ARG 85 -2.380 -8.789 -4.838 649 2HD ARG 85 2HD ARG 85 -1.295 -9.128 -3.489 650 HE ARG 85 HE ARG 85 -4.240 -8.826 -3.303 651 1HH1 ARG 85 1HH1 ARG 85 -1.580 -10.547 -2.282 652 2HH1 ARG 85 2HH1 ARG 85 -2.032 -10.623 -0.612 653 1HH2 ARG 85 1HH2 ARG 85 -4.659 -8.385 -0.950 654 2HH2 ARG 85 2HH2 ARG 85 -3.777 -9.399 0.142 655 H GLY 86 H GLY 86 0.352 -6.449 -2.017 656 1HA GLY 86 1HA GLY 86 3.025 -7.068 -1.750 657 2HA GLY 86 2HA GLY 86 1.769 -8.023 -0.962 658 H GLN 87 H GLN 87 0.548 -9.227 -3.155 659 HA GLN 87 HA GLN 87 2.321 -11.402 -3.703 660 1HB GLN 87 1HB GLN 87 -0.413 -10.702 -4.275 661 2HB GLN 87 2HB GLN 87 0.351 -11.306 -5.746 662 1HG GLN 87 1HG GLN 87 1.293 -13.046 -3.818 663 2HG GLN 87 2HG GLN 87 -0.364 -12.745 -3.295 664 1HE2 GLN 87 2HE2 GLN 87 -2.020 -12.840 -5.251 665 2HE2 GLN 87 1HE2 GLN 87 -1.779 -14.110 -6.352 666 H ASP 88 H ASP 88 0.873 -9.367 -6.241 667 HA ASP 88 HA ASP 88 1.774 -8.684 -8.301 668 1HB ASP 88 1HB ASP 88 2.960 -7.218 -6.561 669 2HB ASP 88 2HB ASP 88 4.338 -8.303 -6.748 670 H LEU 89 H LEU 89 1.884 -11.505 -7.831 671 HA LEU 89 HA LEU 89 2.898 -13.416 -8.741 672 1HB LEU 89 1HB LEU 89 2.956 -11.594 -10.702 673 2HB LEU 89 2HB LEU 89 4.695 -11.744 -10.442 674 HG LEU 89 HG LEU 89 3.870 -14.375 -10.418 675 1HD1 LEU 89 1HD1 LEU 89 1.647 -13.167 -11.333 676 2HD1 LEU 89 2HD1 LEU 89 2.527 -13.305 -12.854 677 3HD1 LEU 89 3HD1 LEU 89 2.161 -14.751 -11.913 678 1HD2 LEU 89 1HD2 LEU 89 5.750 -13.030 -11.669 679 2HD2 LEU 89 2HD2 LEU 89 5.178 -14.552 -12.351 680 3HD2 LEU 89 3HD2 LEU 89 4.596 -13.020 -13.003 681 H ASP 90 H ASP 90 4.849 -14.658 -8.530 682 HA ASP 90 HA ASP 90 6.913 -15.209 -7.559 683 1HB ASP 90 1HB ASP 90 7.249 -12.535 -8.677 684 2HB ASP 90 2HB ASP 90 8.267 -12.786 -7.259 685 H GLU 91 H GLU 91 8.479 -13.898 -5.693 686 HA GLU 91 HA GLU 91 7.041 -12.540 -3.631 687 1HB GLU 91 1HB GLU 91 7.033 -14.518 -1.995 688 2HB GLU 91 2HB GLU 91 5.783 -14.528 -3.239 689 1HG GLU 91 1HG GLU 91 7.494 -15.902 -4.635 690 2HG GLU 91 2HG GLU 91 8.297 -16.180 -3.088 691 H ALA 92 H ALA 92 9.515 -15.093 -4.045 692 HA ALA 92 HA ALA 92 11.240 -13.925 -2.013 693 1HB ALA 92 1HB ALA 92 11.115 -16.401 -2.899 694 2HB ALA 92 2HB ALA 92 12.231 -15.814 -4.131 695 3HB ALA 92 3HB ALA 92 12.673 -15.726 -2.425 696 H ARG 93 H ARG 93 10.849 -13.620 -5.480 697 HA ARG 93 HA ARG 93 13.407 -12.383 -5.997 698 1HB ARG 93 1HB ARG 93 10.789 -12.154 -7.515 699 2HB ARG 93 2HB ARG 93 12.371 -11.666 -8.124 700 1HG ARG 93 1HG ARG 93 12.878 -14.232 -7.312 701 2HG ARG 93 2HG ARG 93 11.209 -14.366 -7.864 702 1HD ARG 93 1HD ARG 93 11.749 -13.632 -10.046 703 2HD ARG 93 2HD ARG 93 13.301 -12.971 -9.533 704 HE ARG 93 HE ARG 93 12.754 -15.913 -9.618 705 1HH1 ARG 93 1HH1 ARG 93 15.176 -14.039 -8.553 706 2HH1 ARG 93 2HH1 ARG 93 16.371 -14.523 -9.709 707 1HH2 ARG 93 1HH2 ARG 93 14.106 -16.162 -11.759 708 2HH2 ARG 93 2HH2 ARG 93 15.765 -15.724 -11.525 709 H ALA 94 H ALA 94 10.760 -11.326 -4.225 710 HA ALA 94 HA ALA 94 11.054 -8.474 -4.940 711 1HB ALA 94 1HB ALA 94 9.033 -10.093 -3.692 712 2HB ALA 94 2HB ALA 94 9.493 -8.802 -2.581 713 3HB ALA 94 3HB ALA 94 8.924 -8.409 -4.204 714 H MET 95 H MET 95 12.208 -10.775 -2.638 715 HA MET 95 HA MET 95 13.068 -8.777 -0.676 716 1HB MET 95 1HB MET 95 13.044 -11.710 -0.921 717 2HB MET 95 2HB MET 95 14.480 -11.075 -0.120 718 1HG MET 95 1HG MET 95 12.628 -9.578 1.121 719 2HG MET 95 2HG MET 95 11.630 -10.982 0.743 720 1HE MET 95 1HE MET 95 12.485 -9.747 3.572 721 2HE MET 95 2HE MET 95 11.351 -11.089 3.436 722 3HE MET 95 3HE MET 95 12.717 -11.207 4.541 723 H GLU 96 H GLU 96 14.404 -10.469 -3.442 724 HA GLU 96 HA GLU 96 17.176 -9.921 -2.941 725 1HB GLU 96 1HB GLU 96 15.712 -11.252 -4.905 726 2HB GLU 96 2HB GLU 96 16.443 -9.898 -5.767 727 1HG GLU 96 1HG GLU 96 18.487 -10.841 -5.668 728 2HG GLU 96 2HG GLU 96 18.340 -11.105 -3.930 729 H ALA 97 H ALA 97 14.569 -8.039 -4.387 730 HA ALA 97 HA ALA 97 16.105 -6.008 -5.632 731 1HB ALA 97 1HB ALA 97 13.412 -5.863 -4.246 732 2HB ALA 97 2HB ALA 97 14.089 -4.554 -5.215 733 3HB ALA 97 3HB ALA 97 13.707 -6.103 -5.968 734 H LYS 98 H LYS 98 14.541 -5.767 -2.410 735 HA LYS 98 HA LYS 98 15.969 -3.464 -1.578 736 1HB LYS 98 1HB LYS 98 13.961 -4.390 -0.418 737 2HB LYS 98 2HB LYS 98 14.953 -5.724 0.172 738 1HG LYS 98 1HG LYS 98 16.505 -3.933 1.155 739 2HG LYS 98 2HG LYS 98 15.202 -2.787 0.837 740 1HD LYS 98 1HD LYS 98 14.688 -3.431 3.010 741 2HD LYS 98 2HD LYS 98 13.731 -4.592 2.089 742 1HE LYS 98 1HE LYS 98 16.177 -5.846 2.229 743 2HE LYS 98 2HE LYS 98 16.084 -5.043 3.795 744 1HZ LYS 98 1HZ LYS 98 13.848 -6.642 2.697 745 2HZ LYS 98 2HZ LYS 98 15.076 -7.332 3.646 746 3HZ LYS 98 3HZ LYS 98 14.081 -6.124 4.298 747 H ARG 99 H ARG 99 16.877 -6.855 -1.601 748 HA ARG 99 HA ARG 99 19.117 -6.644 0.187 749 1HB ARG 99 1HB ARG 99 18.188 -8.825 -0.420 750 2HB ARG 99 2HB ARG 99 18.608 -8.558 -2.112 751 1HG ARG 99 1HG ARG 99 20.815 -9.024 -1.775 752 2HG ARG 99 2HG ARG 99 20.841 -8.238 -0.198 753 1HD ARG 99 1HD ARG 99 19.372 -10.839 -0.588 754 2HD ARG 99 2HD ARG 99 21.110 -10.825 -0.287 755 HE ARG 99 HE ARG 99 19.091 -10.398 1.701 756 1HH1 ARG 99 1HH2 ARG 99 22.212 -10.933 1.762 757 2HH1 ARG 99 2HH2 ARG 99 22.691 -9.626 2.792 758 1HH2 ARG 99 1HH1 ARG 99 19.664 -7.958 2.529 759 2HH2 ARG 99 2HH1 ARG 99 21.250 -7.941 3.223 760 H LYS 100 H LYS 100 18.704 -6.008 -3.256 761 HA LYS 100 HA LYS 100 21.584 -5.645 -3.684 762 1HB LYS 100 1HB LYS 100 19.388 -4.749 -5.553 763 2HB LYS 100 2HB LYS 100 21.035 -5.244 -5.953 764 1HG LYS 100 1HG LYS 100 19.780 -7.390 -4.537 765 2HG LYS 100 2HG LYS 100 18.694 -6.874 -5.827 766 1HD LYS 100 1HD LYS 100 21.553 -7.066 -6.580 767 2HD LYS 100 2HD LYS 100 20.763 -8.599 -6.210 768 1HE LYS 100 1HE LYS 100 19.140 -6.798 -7.882 769 2HE LYS 100 2HE LYS 100 20.639 -7.328 -8.647 770 1HZ LYS 100 1HZ LYS 100 19.600 -9.559 -7.414 771 2HZ LYS 100 2HZ LYS 100 18.268 -8.803 -8.141 772 3HZ LYS 100 3HZ LYS 100 19.618 -9.230 -9.081 773 H ALA 101 H ALA 101 18.862 -3.709 -2.743 774 HA ALA 101 HA ALA 101 20.191 -1.170 -3.423 775 1HB ALA 101 1HB ALA 101 17.563 -1.960 -2.209 776 2HB ALA 101 2HB ALA 101 18.165 -0.323 -1.946 777 3HB ALA 101 3HB ALA 101 17.882 -0.907 -3.587 778 H GLU 102 H GLU 102 20.161 -3.421 -0.854 779 HA GLU 102 HA GLU 102 20.714 -1.584 1.319 780 1HB GLU 102 1HB GLU 102 19.852 -3.819 1.787 781 2HB GLU 102 2HB GLU 102 21.250 -4.554 1.002 782 1HG GLU 102 1HG GLU 102 22.370 -4.476 2.951 783 2HG GLU 102 2HG GLU 102 22.230 -2.718 2.951 784 H GLU 103 H GLU 103 22.548 -2.843 -1.293 785 HA GLU 103 HA GLU 103 25.147 -2.476 0.049 786 1HB GLU 103 1HB GLU 103 24.178 -3.623 -2.496 787 2HB GLU 103 2HB GLU 103 25.730 -2.790 -2.605 788 1HG GLU 103 1HG GLU 103 26.755 -4.528 -1.616 789 2HG GLU 103 2HG GLU 103 25.702 -4.368 -0.211 790 H HIS 104 H HIS 104 23.091 -0.817 -2.299 791 HA HIS 104 HA HIS 104 25.040 1.162 -3.064 792 1HB HIS 104 1HB HIS 104 22.020 1.430 -3.063 793 2HB HIS 104 2HB HIS 104 23.162 2.364 -4.028 794 HD1 HIS 104 HD1 HIS 104 21.111 0.854 -5.611 795 HD2 HIS 104 HD2 HIS 104 24.707 -0.897 -4.440 796 HE1 HIS 104 HE1 HIS 104 21.510 -1.082 -7.193 797 H ILE 105 H ILE 105 22.561 1.024 -0.526 798 HA ILE 105 HA ILE 105 23.005 3.752 0.355 799 HB ILE 105 HB ILE 105 21.727 1.379 1.749 800 1HG1 ILE 105 1HG1 ILE 105 20.417 3.794 0.470 801 2HG1 ILE 105 2HG1 ILE 105 20.693 2.288 -0.406 802 1HG2 ILE 105 1HG2 ILE 105 21.971 4.300 2.476 803 2HG2 ILE 105 2HG2 ILE 105 20.658 3.300 3.098 804 3HG2 ILE 105 3HG2 ILE 105 22.332 2.891 3.472 805 1HD1 ILE 105 1HD1 ILE 105 19.314 2.232 2.264 806 2HD1 ILE 105 2HD1 ILE 105 18.403 2.646 0.812 807 3HD1 ILE 105 3HD1 ILE 105 19.204 1.079 0.935 808 H SER 106 H SER 106 24.683 0.788 0.799 809 HA SER 106 HA SER 106 25.965 1.688 3.308 810 1HB SER 106 1HB SER 106 27.326 -0.544 2.666 811 2HB SER 106 2HB SER 106 25.767 -0.594 3.486 812 HG SER 106 HG SER 106 26.423 -1.563 1.099 813 H SER 107 H SER 107 26.309 3.057 0.616 814 HA SER 107 HA SER 107 29.251 3.250 0.778 815 1HB SER 107 1HB SER 107 28.122 2.942 -1.973 816 2HB SER 107 2HB SER 107 29.734 2.559 -1.375 817 HG SER 107 HG SER 107 28.984 0.700 -0.524 818 H SER 108 H SER 108 29.931 4.999 -0.998 819 HA SER 108 HA SER 108 29.642 7.166 -1.880 820 1HB SER 108 1HB SER 108 27.072 6.072 -2.036 821 2HB SER 108 2HB SER 108 26.851 7.582 -1.158 822 HG SER 108 HG SER 108 26.807 7.719 -3.519 823 H HIS 109 H HIS 109 28.794 9.409 -0.989 824 HA HIS 109 HA HIS 109 28.486 9.471 1.935 825 1HB HIS 109 1HB HIS 109 30.495 10.903 2.256 826 2HB HIS 109 2HB HIS 109 30.919 9.280 1.714 827 HD1 HIS 109 HD1 HIS 109 31.402 12.787 0.882 828 HD2 HIS 109 HD2 HIS 109 31.362 9.206 -1.252 829 HE1 HIS 109 HE1 HIS 109 32.529 13.262 -1.336 830 H GLY 110 H GLY 110 29.093 12.167 2.332 831 1HA GLY 110 1HA GLY 110 28.565 14.377 1.421 832 2HA GLY 110 2HA GLY 110 27.459 13.600 0.287 833 H ASP 111 H ASP 111 26.263 15.577 1.530 834 HA ASP 111 HA ASP 111 25.042 14.618 4.050 835 1HB ASP 111 1HB ASP 111 25.785 17.053 3.584 836 2HB ASP 111 2HB ASP 111 24.327 17.165 2.597 837 H VAL 112 H VAL 112 23.881 15.809 0.873 838 HA VAL 112 HA VAL 112 21.490 14.054 1.262 839 HB VAL 112 HB VAL 112 20.182 15.651 -0.005 840 1HG1 VAL 112 1HG1 VAL 112 21.140 16.110 2.504 841 2HG1 VAL 112 2HG1 VAL 112 21.656 17.584 1.685 842 3HG1 VAL 112 3HG1 VAL 112 19.950 17.139 1.708 843 1HG2 VAL 112 1HG2 VAL 112 22.828 16.518 -0.859 844 2HG2 VAL 112 2HG2 VAL 112 21.260 16.827 -1.605 845 3HG2 VAL 112 3HG2 VAL 112 21.849 17.883 -0.322 846 H ASP 113 H ASP 113 24.301 14.016 -0.257 847 HA ASP 113 HA ASP 113 23.746 13.732 -3.029 848 1HB ASP 113 1HB ASP 113 26.037 13.823 -2.212 849 2HB ASP 113 2HB ASP 113 25.800 12.343 -1.282 850 H TYR 114 H TYR 114 24.848 10.742 -1.629 851 HA TYR 114 HA TYR 114 22.799 9.236 -2.988 852 1HB TYR 114 1HB TYR 114 23.818 7.302 -2.052 853 2HB TYR 114 2HB TYR 114 25.150 8.433 -2.278 854 HD1 TYR 114 HD1 TYR 114 25.999 9.766 -0.316 855 HD2 TYR 114 HD2 TYR 114 23.155 6.578 0.124 856 HE1 TYR 114 HE1 TYR 114 26.495 9.658 2.111 857 HE2 TYR 114 HE2 TYR 114 23.652 6.469 2.550 858 HH TYR 114 HH TYR 114 25.319 7.078 4.112 859 H ALA 115 H ALA 115 23.003 10.839 0.037 860 HA ALA 115 HA ALA 115 21.194 9.376 1.642 861 1HB ALA 115 1HB ALA 115 22.530 11.833 1.792 862 2HB ALA 115 2HB ALA 115 20.820 12.258 1.870 863 3HB ALA 115 3HB ALA 115 21.500 11.129 3.042 864 H GLN 116 H GLN 116 20.669 11.428 -1.130 865 HA GLN 116 HA GLN 116 17.797 11.719 -0.694 866 1HB GLN 116 1HB GLN 116 19.793 12.599 -2.678 867 2HB GLN 116 2HB GLN 116 18.210 12.230 -3.366 868 1HG GLN 116 1HG GLN 116 17.385 13.623 -1.235 869 2HG GLN 116 2HG GLN 116 18.980 14.354 -1.416 870 1HE2 GLN 116 2HE2 GLN 116 18.434 16.359 -2.377 871 2HE2 GLN 116 1HE2 GLN 116 17.594 16.501 -3.845 872 H ALA 117 H ALA 117 19.930 9.511 -2.412 873 HA ALA 117 HA ALA 117 17.795 8.218 -3.909 874 1HB ALA 117 1HB ALA 117 20.419 8.246 -4.302 875 2HB ALA 117 2HB ALA 117 20.368 6.823 -3.262 876 3HB ALA 117 3HB ALA 117 19.458 6.845 -4.774 877 H SER 118 H SER 118 19.144 7.911 -0.716 878 HA SER 118 HA SER 118 18.165 5.217 -0.226 879 1HB SER 118 1HB SER 118 19.753 5.611 1.362 880 2HB SER 118 2HB SER 118 19.506 7.354 1.310 881 HG SER 118 HG SER 118 18.716 5.767 3.177 882 H ALA 119 H ALA 119 16.570 8.116 -0.664 883 HA ALA 119 HA ALA 119 14.515 7.753 1.390 884 1HB ALA 119 1HB ALA 119 15.160 10.000 0.463 885 2HB ALA 119 2HB ALA 119 14.441 9.519 -1.075 886 3HB ALA 119 3HB ALA 119 13.431 9.665 0.364 887 H GLU 120 H GLU 120 14.853 7.121 -2.089 888 HA GLU 120 HA GLU 120 12.105 6.098 -2.266 889 1HB GLU 120 1HB GLU 120 12.529 5.809 -4.588 890 2HB GLU 120 2HB GLU 120 13.392 7.283 -4.150 891 1HG GLU 120 1HG GLU 120 15.143 6.256 -5.192 892 2HG GLU 120 2HG GLU 120 15.314 5.427 -3.645 893 H LEU 121 H LEU 121 14.853 4.879 -0.934 894 HA LEU 121 HA LEU 121 14.731 2.163 -2.007 895 1HB LEU 121 1HB LEU 121 16.642 3.596 -0.638 896 2HB LEU 121 2HB LEU 121 16.010 2.532 0.619 897 HG LEU 121 HG LEU 121 17.837 1.394 -0.513 898 1HD1 LEU 121 1HD1 LEU 121 15.305 0.363 -0.159 899 2HD1 LEU 121 2HD1 LEU 121 15.635 -0.035 -1.845 900 3HD1 LEU 121 3HD1 LEU 121 16.730 -0.589 -0.578 901 1HD2 LEU 121 1HD2 LEU 121 17.091 2.830 -2.715 902 2HD2 LEU 121 2HD2 LEU 121 18.161 1.430 -2.773 903 3HD2 LEU 121 3HD2 LEU 121 16.442 1.240 -3.120 904 H ALA 122 H ALA 122 13.790 3.738 1.058 905 HA ALA 122 HA ALA 122 12.669 1.364 2.226 906 1HB ALA 122 1HB ALA 122 13.235 3.822 3.190 907 2HB ALA 122 2HB ALA 122 11.498 4.003 2.943 908 3HB ALA 122 3HB ALA 122 12.111 2.722 3.989 909 H LYS 123 H LYS 123 11.633 3.238 -0.388 910 HA LYS 123 HA LYS 123 8.772 3.062 0.013 911 1HB LYS 123 1HB LYS 123 10.038 4.627 -1.589 912 2HB LYS 123 2HB LYS 123 10.158 3.235 -2.666 913 1HG LYS 123 1HG LYS 123 8.039 3.532 -3.355 914 2HG LYS 123 2HG LYS 123 7.458 3.458 -1.692 915 1HD LYS 123 1HD LYS 123 6.846 5.624 -2.128 916 2HD LYS 123 2HD LYS 123 8.521 5.939 -1.674 917 1HE LYS 123 1HE LYS 123 9.195 5.824 -4.038 918 2HE LYS 123 2HE LYS 123 7.529 5.484 -4.504 919 1HZ LYS 123 1HZ LYS 123 8.256 7.899 -2.962 920 2HZ LYS 123 2HZ LYS 123 8.310 7.876 -4.657 921 3HZ LYS 123 3HZ LYS 123 6.839 7.600 -3.851 922 H ALA 124 H ALA 124 11.209 0.858 -1.117 923 HA ALA 124 HA ALA 124 9.224 -0.918 -2.391 924 1HB ALA 124 1HB ALA 124 12.132 -0.640 -2.395 925 2HB ALA 124 2HB ALA 124 11.624 -2.316 -2.192 926 3HB ALA 124 3HB ALA 124 11.078 -1.394 -3.591 927 H ILE 125 H ILE 125 10.197 -0.297 0.734 928 HA ILE 125 HA ILE 125 10.108 -3.105 1.644 929 HB ILE 125 HB ILE 125 10.601 -0.452 2.996 930 1HG1 ILE 125 1HG1 ILE 125 12.751 -1.379 3.455 931 2HG1 ILE 125 2HG1 ILE 125 12.212 -3.012 3.071 932 1HG2 ILE 125 1HG2 ILE 125 10.185 -3.140 4.345 933 2HG2 ILE 125 2HG2 ILE 125 10.762 -1.676 5.142 934 3HG2 ILE 125 3HG2 ILE 125 9.125 -1.738 4.493 935 1HD1 ILE 125 1HD1 ILE 125 12.165 -0.814 1.001 936 2HD1 ILE 125 2HD1 ILE 125 13.611 -1.783 1.284 937 3HD1 ILE 125 3HD1 ILE 125 12.122 -2.559 0.747 938 H ALA 126 H ALA 126 7.892 -0.661 0.931 939 HA ALA 126 HA ALA 126 5.965 -1.192 3.041 940 1HB ALA 126 1HB ALA 126 6.141 0.501 0.658 941 2HB ALA 126 2HB ALA 126 4.533 -0.188 0.879 942 3HB ALA 126 3HB ALA 126 5.264 0.774 2.163 943 H GLN 127 H GLN 127 6.528 -2.410 -0.237 944 HA GLN 127 HA GLN 127 4.131 -4.129 -0.074 945 1HB GLN 127 1HB GLN 127 4.640 -4.744 -2.358 946 2HB GLN 127 2HB GLN 127 4.824 -2.995 -2.217 947 1HG GLN 127 1HG GLN 127 6.974 -3.141 -2.856 948 2HG GLN 127 2HG GLN 127 7.315 -4.247 -1.524 949 1HE2 GLN 127 2HE2 GLN 127 8.502 -4.543 -4.152 950 2HE2 GLN 127 1HE2 GLN 127 7.921 -5.991 -4.820 951 H LEU 128 H LEU 128 7.160 -4.290 1.193 952 HA LEU 128 HA LEU 128 7.656 -7.137 0.580 953 1HB LEU 128 1HB LEU 128 9.276 -4.947 1.324 954 2HB LEU 128 2HB LEU 128 9.319 -6.063 2.690 955 HG LEU 128 HG LEU 128 9.704 -7.900 0.892 956 1HD1 LEU 128 1HD1 LEU 128 10.475 -5.390 -0.627 957 2HD1 LEU 128 2HD1 LEU 128 10.872 -7.033 -1.127 958 3HD1 LEU 128 3HD1 LEU 128 9.188 -6.515 -1.061 959 1HD2 LEU 128 1HD2 LEU 128 11.375 -6.897 2.567 960 2HD2 LEU 128 2HD2 LEU 128 12.065 -7.644 1.125 961 3HD2 LEU 128 3HD2 LEU 128 11.938 -5.889 1.234 962 H ARG 129 H ARG 129 6.298 -5.149 3.116 963 HA ARG 129 HA ARG 129 6.375 -7.301 5.110 964 1HB ARG 129 1HB ARG 129 5.242 -4.512 5.023 965 2HB ARG 129 2HB ARG 129 4.778 -5.623 6.312 966 1HG ARG 129 1HG ARG 129 7.405 -6.009 6.450 967 2HG ARG 129 2HG ARG 129 7.444 -4.397 5.736 968 1HD ARG 129 1HD ARG 129 7.227 -3.648 7.865 969 2HD ARG 129 2HD ARG 129 5.534 -4.115 7.702 970 HE ARG 129 HE ARG 129 7.359 -5.340 9.485 971 1HH1 ARG 129 1HH2 ARG 129 4.387 -5.829 9.442 972 2HH1 ARG 129 2HH2 ARG 129 4.312 -7.515 9.052 973 1HH2 ARG 129 1HH1 ARG 129 7.590 -7.673 7.932 974 2HH2 ARG 129 2HH1 ARG 129 6.126 -8.560 8.196 975 H VAL 130 H VAL 130 4.241 -6.230 2.598 976 HA VAL 130 HA VAL 130 1.907 -7.617 3.750 977 HB VAL 130 HB VAL 130 0.801 -6.915 1.620 978 1HG1 VAL 130 1HG1 VAL 130 1.542 -5.372 3.792 979 2HG1 VAL 130 2HG1 VAL 130 2.076 -4.397 2.422 980 3HG1 VAL 130 3HG1 VAL 130 0.387 -4.891 2.550 981 1HG2 VAL 130 1HG2 VAL 130 3.043 -7.012 0.352 982 2HG2 VAL 130 2HG2 VAL 130 1.973 -5.662 -0.025 983 3HG2 VAL 130 3HG2 VAL 130 3.360 -5.419 1.038 984 H ILE 131 H ILE 131 4.425 -8.172 1.378 985 HA ILE 131 HA ILE 131 3.086 -10.583 0.334 986 HB ILE 131 HB ILE 131 4.443 -9.039 -1.116 987 1HG1 ILE 131 1HG1 ILE 131 4.043 -11.608 -1.458 988 2HG1 ILE 131 2HG1 ILE 131 5.223 -10.781 -2.471 989 1HG2 ILE 131 1HG2 ILE 131 6.621 -10.059 0.702 990 2HG2 ILE 131 2HG2 ILE 131 6.981 -9.491 -0.929 991 3HG2 ILE 131 3HG2 ILE 131 6.256 -8.395 0.246 992 1HD1 ILE 131 1HD1 ILE 131 6.410 -11.733 0.023 993 2HD1 ILE 131 2HD1 ILE 131 5.698 -13.046 -0.915 994 3HD1 ILE 131 3HD1 ILE 131 6.926 -12.010 -1.640 995 H GLU 132 H GLU 132 5.166 -9.756 2.907 996 HA GLU 132 HA GLU 132 6.560 -12.325 3.025 997 1HB GLU 132 1HB GLU 132 6.754 -9.764 4.327 998 2HB GLU 132 2HB GLU 132 6.675 -11.038 5.544 999 1HG GLU 132 1HG GLU 132 8.430 -11.573 3.209 1000 2HG GLU 132 2HG GLU 132 8.979 -10.317 4.320 1001 H LEU 133 H LEU 133 3.696 -10.872 4.518 1002 HA LEU 133 HA LEU 133 3.378 -13.151 6.343 1003 1HB LEU 133 1HB LEU 133 1.554 -11.982 7.265 1004 2HB LEU 133 2HB LEU 133 2.653 -10.694 6.775 1005 HG LEU 133 HG LEU 133 1.245 -10.965 4.486 1006 1HD1 LEU 133 1HD1 LEU 133 -0.206 -12.482 6.432 1007 2HD1 LEU 133 2HD1 LEU 133 -1.147 -11.041 6.046 1008 3HD1 LEU 133 3HD1 LEU 133 -0.653 -12.144 4.761 1009 1HD2 LEU 133 1HD2 LEU 133 0.418 -9.384 6.942 1010 2HD2 LEU 133 2HD2 LEU 133 1.586 -8.872 5.724 1011 3HD2 LEU 133 3HD2 LEU 133 -0.116 -9.043 5.297 1012 H THR 134 H THR 134 2.946 -12.830 3.108 1013 HA THR 134 HA THR 134 0.367 -14.255 2.937 1014 HB THR 134 HB THR 134 1.251 -14.286 0.402 1015 HG1 THR 134 HG1 THR 134 3.122 -13.311 0.427 1016 1HG2 THR 134 1HG2 THR 134 -0.620 -12.897 1.793 1017 2HG2 THR 134 2HG2 THR 134 0.437 -11.579 1.287 1018 3HG2 THR 134 3HG2 THR 134 -0.291 -12.637 0.079 1019 H LYS 135 H LYS 135 3.824 -14.883 2.552 1020 HA LYS 135 HA LYS 135 3.407 -17.620 1.613 1021 1HB LYS 135 1HB LYS 135 5.855 -17.820 1.868 1022 2HB LYS 135 2HB LYS 135 5.435 -16.349 0.989 1023 1HG LYS 135 1HG LYS 135 5.885 -14.965 2.840 1024 2HG LYS 135 2HG LYS 135 5.777 -16.305 3.982 1025 1HD LYS 135 1HD LYS 135 7.811 -17.051 2.205 1026 2HD LYS 135 2HD LYS 135 8.085 -15.335 2.507 1027 1HE LYS 135 1HE LYS 135 7.937 -15.775 4.956 1028 2HE LYS 135 2HE LYS 135 7.777 -17.497 4.609 1029 1HZ LYS 135 1HZ LYS 135 9.974 -16.511 3.186 1030 2HZ LYS 135 2HZ LYS 135 10.118 -15.977 4.792 1031 3HZ LYS 135 3HZ LYS 135 9.965 -17.636 4.456 1032 H LYS 136 H LYS 136 3.650 -15.994 4.666 1033 HA LYS 136 HA LYS 136 4.206 -18.496 6.136 1034 1HB LYS 136 1HB LYS 136 4.532 -15.707 6.655 1035 2HB LYS 136 2HB LYS 136 3.431 -16.355 7.872 1036 1HG LYS 136 1HG LYS 136 5.127 -17.399 8.921 1037 2HG LYS 136 2HG LYS 136 5.601 -18.208 7.427 1038 1HD LYS 136 1HD LYS 136 7.492 -16.949 7.647 1039 2HD LYS 136 2HD LYS 136 6.492 -15.687 6.924 1040 1HE LYS 136 1HE LYS 136 5.907 -14.815 9.109 1041 2HE LYS 136 2HE LYS 136 6.721 -16.160 9.910 1042 1HZ LYS 136 1HZ LYS 136 8.182 -14.390 8.055 1043 2HZ LYS 136 2HZ LYS 136 7.966 -13.956 9.683 1044 3HZ LYS 136 3HZ LYS 136 8.797 -15.381 9.292 1045 H ALA 137 H ALA 137 1.517 -16.959 4.830 1046 HA ALA 137 HA ALA 137 -0.335 -17.793 6.976 1047 1HB ALA 137 1HB ALA 137 -0.489 -16.094 4.548 1048 2HB ALA 137 2HB ALA 137 -1.959 -16.977 4.963 1049 3HB ALA 137 3HB ALA 137 -1.237 -15.868 6.128 1050 H MET 138 H MET 138 1.249 -19.397 4.607 1051 HA MET 138 HA MET 138 -1.052 -21.002 3.673 1052 1HB MET 138 1HB MET 138 1.130 -20.251 2.334 1053 2HB MET 138 2HB MET 138 1.778 -21.733 3.038 1054 1HG MET 138 1HG MET 138 0.636 -22.981 1.558 1055 2HG MET 138 2HG MET 138 -0.879 -22.228 2.052 1056 1HE MET 138 1HE MET 138 1.854 -22.721 -0.012 1057 2HE MET 138 2HE MET 138 0.890 -22.676 -1.495 1058 3HE MET 138 3HE MET 138 2.061 -21.403 -1.161 Start of MODEL 24 1 1H ALA 1 1H ALA 1 -23.467 1.890 9.794 2 2H ALA 1 2H ALA 1 -24.213 3.261 10.465 3 3H ALA 1 3H ALA 1 -24.099 3.093 8.778 4 HA ALA 1 HA ALA 1 -22.200 4.203 8.802 5 1HB ALA 1 1HB ALA 1 -23.218 4.966 11.104 6 2HB ALA 1 2HB ALA 1 -21.931 3.970 11.786 7 3HB ALA 1 3HB ALA 1 -21.530 5.330 10.738 8 H MET 2 H MET 2 -22.172 1.494 11.107 9 HA MET 2 HA MET 2 -19.391 0.980 11.112 10 1HB MET 2 1HB MET 2 -21.820 -0.436 11.852 11 2HB MET 2 2HB MET 2 -20.627 -1.537 11.162 12 1HG MET 2 1HG MET 2 -19.261 -1.345 12.957 13 2HG MET 2 2HG MET 2 -19.448 0.407 13.012 14 1HE MET 2 1HE MET 2 -21.482 -2.748 13.162 15 2HE MET 2 2HE MET 2 -20.544 -3.013 14.629 16 3HE MET 2 3HE MET 2 -22.282 -2.750 14.740 17 H THR 3 H THR 3 -18.029 -0.063 9.674 18 HA THR 3 HA THR 3 -17.308 -0.995 7.641 19 HB THR 3 HB THR 3 -19.855 -2.065 6.733 20 HG1 THR 3 HG1 THR 3 -20.028 -3.468 8.612 21 1HG2 THR 3 1HG2 THR 3 -17.184 -2.765 6.726 22 2HG2 THR 3 2HG2 THR 3 -17.877 -3.895 7.890 23 3HG2 THR 3 3HG2 THR 3 -18.514 -3.819 6.247 24 H TYR 4 H TYR 4 -17.041 0.019 5.702 25 HA TYR 4 HA TYR 4 -19.348 1.547 4.597 26 1HB TYR 4 1HB TYR 4 -17.852 3.393 4.014 27 2HB TYR 4 2HB TYR 4 -17.777 3.094 5.749 28 HD1 TYR 4 HD1 TYR 4 -15.931 1.237 6.432 29 HD2 TYR 4 HD2 TYR 4 -15.833 3.671 2.895 30 HE1 TYR 4 HE1 TYR 4 -13.487 0.902 6.276 31 HE2 TYR 4 HE2 TYR 4 -13.379 3.337 2.739 32 HH TYR 4 HH TYR 4 -11.667 1.217 5.030 33 H HIS 5 H HIS 5 -17.725 2.521 2.376 34 HA HIS 5 HA HIS 5 -17.154 -0.063 0.980 35 1HB HIS 5 1HB HIS 5 -19.302 0.751 0.200 36 2HB HIS 5 2HB HIS 5 -18.647 2.369 -0.042 37 HD1 HIS 5 HD1 HIS 5 -16.410 2.295 -1.779 38 HD2 HIS 5 HD2 HIS 5 -19.310 -0.675 -2.141 39 HE1 HIS 5 HE1 HIS 5 -16.121 1.289 -4.084 40 H LEU 6 H LEU 6 -15.268 -0.050 -0.273 41 HA LEU 6 HA LEU 6 -13.976 2.574 -0.696 42 1HB LEU 6 1HB LEU 6 -11.990 2.019 0.317 43 2HB LEU 6 2HB LEU 6 -13.094 1.092 1.328 44 HG LEU 6 HG LEU 6 -12.734 -0.786 -0.438 45 1HD1 LEU 6 1HD1 LEU 6 -10.785 1.292 -1.195 46 2HD1 LEU 6 2HD1 LEU 6 -10.102 -0.329 -1.057 47 3HD1 LEU 6 3HD1 LEU 6 -11.452 -0.029 -2.152 48 1HD2 LEU 6 1HD2 LEU 6 -11.136 0.078 1.872 49 2HD2 LEU 6 2HD2 LEU 6 -11.806 -1.511 1.500 50 3HD2 LEU 6 3HD2 LEU 6 -10.272 -1.010 0.785 51 H ASP 7 H ASP 7 -12.335 2.499 -2.472 52 HA ASP 7 HA ASP 7 -12.501 0.117 -4.218 53 1HB ASP 7 1HB ASP 7 -14.436 1.692 -4.767 54 2HB ASP 7 2HB ASP 7 -13.217 2.842 -5.316 55 H VAL 8 H VAL 8 -10.282 -0.185 -4.233 56 HA VAL 8 HA VAL 8 -8.562 2.145 -4.919 57 HB VAL 8 HB VAL 8 -7.968 0.762 -2.917 58 1HG1 VAL 8 1HG1 VAL 8 -8.681 -1.354 -4.566 59 2HG1 VAL 8 2HG1 VAL 8 -6.921 -1.454 -4.526 60 3HG1 VAL 8 3HG1 VAL 8 -7.842 -1.498 -3.022 61 1HG2 VAL 8 1HG2 VAL 8 -6.311 1.517 -5.135 62 2HG2 VAL 8 2HG2 VAL 8 -5.893 1.469 -3.423 63 3HG2 VAL 8 3HG2 VAL 8 -5.670 0.036 -4.426 64 H VAL 9 H VAL 9 -7.896 2.304 -7.020 65 HA VAL 9 HA VAL 9 -7.626 -0.216 -8.594 66 HB VAL 9 HB VAL 9 -8.876 2.325 -9.670 67 1HG1 VAL 9 1HG1 VAL 9 -8.004 -0.254 -10.794 68 2HG1 VAL 9 2HG1 VAL 9 -9.650 0.201 -11.238 69 3HG1 VAL 9 3HG1 VAL 9 -8.306 1.284 -11.606 70 1HG2 VAL 9 1HG2 VAL 9 -10.059 -0.129 -8.398 71 2HG2 VAL 9 2HG2 VAL 9 -10.536 1.558 -8.211 72 3HG2 VAL 9 3HG2 VAL 9 -10.939 0.687 -9.690 73 H SER 10 H SER 10 -6.012 -0.133 -10.212 74 HA SER 10 HA SER 10 -4.414 2.369 -10.409 75 1HB SER 10 1HB SER 10 -2.917 -0.200 -10.191 76 2HB SER 10 2HB SER 10 -2.444 1.420 -9.683 77 HG SER 10 HG SER 10 -3.872 1.226 -7.940 78 H ALA 11 H ALA 11 -2.356 0.598 -11.828 79 HA ALA 11 HA ALA 11 -3.660 0.740 -14.462 80 1HB ALA 11 1HB ALA 11 -1.075 1.173 -13.600 81 2HB ALA 11 2HB ALA 11 -0.963 -0.424 -14.339 82 3HB ALA 11 3HB ALA 11 -1.555 0.944 -15.282 83 H GLU 12 H GLU 12 -4.532 -1.325 -12.502 84 HA GLU 12 HA GLU 12 -4.641 -3.570 -14.306 85 1HB GLU 12 1HB GLU 12 -3.449 -5.169 -12.730 86 2HB GLU 12 2HB GLU 12 -2.397 -4.045 -13.590 87 1HG GLU 12 1HG GLU 12 -3.426 -3.005 -11.032 88 2HG GLU 12 2HG GLU 12 -2.382 -4.417 -10.868 89 H GLN 13 H GLN 13 -6.886 -2.945 -13.697 90 HA GLN 13 HA GLN 13 -8.069 -2.905 -11.208 91 1HB GLN 13 1HB GLN 13 -9.289 -4.560 -13.419 92 2HB GLN 13 2HB GLN 13 -10.106 -3.544 -12.230 93 1HG GLN 13 1HG GLN 13 -8.435 -1.742 -13.474 94 2HG GLN 13 2HG GLN 13 -8.895 -2.803 -14.805 95 1HE2 GLN 13 2HE2 GLN 13 -11.342 -3.199 -15.024 96 2HE2 GLN 13 1HE2 GLN 13 -12.385 -1.923 -14.615 97 H GLN 14 H GLN 14 -7.362 -4.246 -9.573 98 HA GLN 14 HA GLN 14 -8.295 -6.904 -9.366 99 1HB GLN 14 1HB GLN 14 -6.218 -6.852 -11.160 100 2HB GLN 14 2HB GLN 14 -5.375 -7.205 -9.652 101 1HG GLN 14 1HG GLN 14 -6.809 -9.116 -9.231 102 2HG GLN 14 2HG GLN 14 -7.817 -8.716 -10.622 103 1HE2 GLN 14 2HE2 GLN 14 -6.869 -11.203 -10.854 104 2HE2 GLN 14 1HE2 GLN 14 -5.521 -11.302 -11.882 105 H MET 15 H MET 15 -8.430 -5.069 -7.485 106 HA MET 15 HA MET 15 -6.462 -5.985 -5.461 107 1HB MET 15 1HB MET 15 -7.105 -3.061 -5.951 108 2HB MET 15 2HB MET 15 -6.049 -3.696 -4.688 109 1HG MET 15 1HG MET 15 -5.598 -4.127 -7.653 110 2HG MET 15 2HG MET 15 -4.805 -2.869 -6.704 111 1HE MET 15 1HE MET 15 -2.912 -3.129 -5.193 112 2HE MET 15 2HE MET 15 -1.762 -4.408 -5.571 113 3HE MET 15 3HE MET 15 -2.432 -3.405 -6.866 114 H PHE 16 H PHE 16 -8.784 -3.302 -5.254 115 HA PHE 16 HA PHE 16 -10.638 -5.014 -3.700 116 1HB PHE 16 1HB PHE 16 -8.863 -3.897 -2.181 117 2HB PHE 16 2HB PHE 16 -9.698 -2.387 -2.545 118 HD1 PHE 16 HD1 PHE 16 -10.136 -5.792 -1.111 119 HD2 PHE 16 HD2 PHE 16 -11.805 -1.861 -1.530 120 HE1 PHE 16 HE1 PHE 16 -11.863 -6.336 0.583 121 HE2 PHE 16 HE2 PHE 16 -13.520 -2.391 0.143 122 HZ PHE 16 HZ PHE 16 -13.553 -4.639 1.216 123 H SER 17 H SER 17 -12.774 -4.252 -3.794 124 HA SER 17 HA SER 17 -13.504 -1.579 -4.539 125 1HB SER 17 1HB SER 17 -14.398 -2.191 -6.844 126 2HB SER 17 2HB SER 17 -12.646 -2.057 -6.722 127 HG SER 17 HG SER 17 -13.917 -4.523 -6.264 128 H GLY 18 H GLY 18 -14.984 -2.026 -2.810 129 1HA GLY 18 1HA GLY 18 -17.595 -2.688 -3.440 130 2HA GLY 18 2HA GLY 18 -16.874 -4.233 -2.989 131 H LEU 19 H LEU 19 -18.008 -4.473 -1.029 132 HA LEU 19 HA LEU 19 -18.209 -2.362 0.924 133 1HB LEU 19 1HB LEU 19 -18.453 -5.365 1.267 134 2HB LEU 19 2HB LEU 19 -18.966 -4.155 2.446 135 HG LEU 19 HG LEU 19 -20.105 -4.694 -0.298 136 1HD1 LEU 19 1HD1 LEU 19 -20.954 -5.855 1.792 137 2HD1 LEU 19 2HD1 LEU 19 -21.468 -4.271 2.371 138 3HD1 LEU 19 3HD1 LEU 19 -22.169 -4.941 0.898 139 1HD2 LEU 19 1HD2 LEU 19 -20.526 -2.233 1.437 140 2HD2 LEU 19 2HD2 LEU 19 -19.722 -2.262 -0.134 141 3HD2 LEU 19 3HD2 LEU 19 -21.447 -2.621 -0.017 142 H VAL 20 H VAL 20 -17.157 -2.543 3.139 143 HA VAL 20 HA VAL 20 -14.716 -4.035 3.445 144 HB VAL 20 HB VAL 20 -13.434 -2.800 2.043 145 1HG1 VAL 20 1HG1 VAL 20 -15.695 -0.827 2.169 146 2HG1 VAL 20 2HG1 VAL 20 -14.176 -0.398 1.385 147 3HG1 VAL 20 3HG1 VAL 20 -15.118 -1.761 0.791 148 1HG2 VAL 20 1HG2 VAL 20 -13.812 -0.770 4.253 149 2HG2 VAL 20 2HG2 VAL 20 -12.477 -1.912 4.043 150 3HG2 VAL 20 3HG2 VAL 20 -12.666 -0.562 2.921 151 H GLU 21 H GLU 21 -13.729 -3.604 5.533 152 HA GLU 21 HA GLU 21 -15.479 -1.904 7.265 153 1HB GLU 21 1HB GLU 21 -15.139 -4.562 7.523 154 2HB GLU 21 2HB GLU 21 -13.771 -4.009 8.488 155 1HG GLU 21 1HG GLU 21 -15.122 -2.970 10.060 156 2HG GLU 21 2HG GLU 21 -16.435 -2.709 8.910 157 H LYS 22 H LYS 22 -12.175 -3.280 7.630 158 HA LYS 22 HA LYS 22 -11.292 -0.498 8.294 159 1HB LYS 22 1HB LYS 22 -11.433 -1.799 10.345 160 2HB LYS 22 2HB LYS 22 -10.477 -3.094 9.625 161 1HG LYS 22 1HG LYS 22 -8.700 -2.034 10.559 162 2HG LYS 22 2HG LYS 22 -8.864 -0.906 9.214 163 1HD LYS 22 1HD LYS 22 -10.328 0.529 10.568 164 2HD LYS 22 2HD LYS 22 -10.215 -0.608 11.913 165 1HE LYS 22 1HE LYS 22 -8.220 0.224 12.560 166 2HE LYS 22 2HE LYS 22 -7.582 0.145 10.917 167 1HZ LYS 22 1HZ LYS 22 -9.458 2.181 10.946 168 2HZ LYS 22 2HZ LYS 22 -8.519 2.392 12.347 169 3HZ LYS 22 3HZ LYS 22 -7.773 2.334 10.822 170 H ILE 23 H ILE 23 -10.046 0.102 6.586 171 HA ILE 23 HA ILE 23 -8.060 -1.881 5.517 172 HB ILE 23 HB ILE 23 -8.154 -0.747 3.445 173 1HG1 ILE 23 1HG1 ILE 23 -9.668 1.479 3.478 174 2HG1 ILE 23 2HG1 ILE 23 -9.015 1.569 5.109 175 1HG2 ILE 23 1HG2 ILE 23 -10.557 -1.524 4.730 176 2HG2 ILE 23 2HG2 ILE 23 -10.926 -0.067 3.806 177 3HG2 ILE 23 3HG2 ILE 23 -10.231 -1.472 3.000 178 1HD1 ILE 23 1HD1 ILE 23 -6.817 0.861 3.536 179 2HD1 ILE 23 2HD1 ILE 23 -7.685 2.040 2.555 180 3HD1 ILE 23 3HD1 ILE 23 -7.151 2.467 4.179 181 H GLN 24 H GLN 24 -6.018 -1.510 6.314 182 HA GLN 24 HA GLN 24 -5.415 1.195 7.395 183 1HB GLN 24 1HB GLN 24 -4.770 -1.482 8.190 184 2HB GLN 24 2HB GLN 24 -3.269 -0.613 7.865 185 1HG GLN 24 1HG GLN 24 -5.035 1.154 9.260 186 2HG GLN 24 2HG GLN 24 -4.975 -0.375 10.140 187 1HE2 GLN 24 2HE2 GLN 24 -3.758 2.053 11.146 188 2HE2 GLN 24 1HE2 GLN 24 -2.080 1.809 11.190 189 H VAL 25 H VAL 25 -4.131 2.564 6.254 190 HA VAL 25 HA VAL 25 -2.445 1.378 4.086 191 HB VAL 25 HB VAL 25 -3.138 4.286 4.130 192 1HG1 VAL 25 1HG1 VAL 25 -2.436 2.157 2.142 193 2HG1 VAL 25 2HG1 VAL 25 -3.369 3.551 1.595 194 3HG1 VAL 25 3HG1 VAL 25 -1.777 3.783 2.317 195 1HG2 VAL 25 1HG2 VAL 25 -5.076 2.088 3.983 196 2HG2 VAL 25 2HG2 VAL 25 -5.358 3.818 4.181 197 3HG2 VAL 25 3HG2 VAL 25 -5.125 3.142 2.569 198 H THR 26 H THR 26 -0.305 1.436 4.530 199 HA THR 26 HA THR 26 0.698 3.646 6.282 200 HB THR 26 HB THR 26 1.553 0.738 6.206 201 HG1 THR 26 HG1 THR 26 1.113 1.388 8.601 202 1HG2 THR 26 1HG2 THR 26 2.944 3.194 7.108 203 2HG2 THR 26 2HG2 THR 26 2.960 1.847 8.246 204 3HG2 THR 26 3HG2 THR 26 3.610 1.636 6.619 205 H GLY 27 H GLY 27 1.807 4.983 4.939 206 1HA GLY 27 1HA GLY 27 3.741 3.720 3.039 207 2HA GLY 27 2HA GLY 27 2.762 5.107 2.556 208 H SER 28 H SER 28 4.502 6.546 2.264 209 HA SER 28 HA SER 28 6.282 7.016 4.599 210 1HB SER 28 1HB SER 28 6.437 7.566 1.674 211 2HB SER 28 2HB SER 28 7.240 8.708 2.747 212 HG SER 28 HG SER 28 8.611 7.189 3.358 213 H GLU 29 H GLU 29 6.112 8.875 5.816 214 HA GLU 29 HA GLU 29 5.335 10.992 6.498 215 1HB GLU 29 1HB GLU 29 5.671 11.300 3.813 216 2HB GLU 29 2HB GLU 29 3.933 11.565 3.950 217 1HG GLU 29 1HG GLU 29 4.244 13.339 5.540 218 2HG GLU 29 2HG GLU 29 5.958 12.962 5.715 219 H GLY 30 H GLY 30 3.755 10.363 7.960 220 1HA GLY 30 1HA GLY 30 1.544 10.182 8.763 221 2HA GLY 30 2HA GLY 30 0.978 10.616 7.147 222 H GLU 31 H GLU 31 -0.423 8.630 8.388 223 HA GLU 31 HA GLU 31 -0.232 6.454 6.563 224 1HB GLU 31 1HB GLU 31 0.572 4.686 8.145 225 2HB GLU 31 2HB GLU 31 1.819 5.859 7.720 226 1HG GLU 31 1HG GLU 31 1.839 6.808 9.819 227 2HG GLU 31 2HG GLU 31 0.137 6.451 10.112 228 H LEU 32 H LEU 32 -2.476 7.664 7.150 229 HA LEU 32 HA LEU 32 -3.814 6.267 9.405 230 1HB LEU 32 1HB LEU 32 -4.350 8.707 7.823 231 2HB LEU 32 2HB LEU 32 -5.786 7.742 8.201 232 HG LEU 32 HG LEU 32 -3.743 8.481 10.309 233 1HD1 LEU 32 1HD1 LEU 32 -5.387 10.293 8.921 234 2HD1 LEU 32 2HD1 LEU 32 -6.227 9.977 10.439 235 3HD1 LEU 32 3HD1 LEU 32 -4.568 10.575 10.458 236 1HD2 LEU 32 1HD2 LEU 32 -5.450 6.589 10.603 237 2HD2 LEU 32 2HD2 LEU 32 -5.464 7.845 11.840 238 3HD2 LEU 32 3HD2 LEU 32 -6.690 7.842 10.572 239 H GLY 33 H GLY 33 -5.731 5.000 9.021 240 1HA GLY 33 1HA GLY 33 -5.736 3.759 6.318 241 2HA GLY 33 2HA GLY 33 -6.416 3.027 7.774 242 H ILE 34 H ILE 34 -8.074 3.081 5.626 243 HA ILE 34 HA ILE 34 -9.764 5.496 5.958 244 HB ILE 34 HB ILE 34 -9.688 3.314 3.865 245 1HG1 ILE 34 1HG1 ILE 34 -8.130 5.250 3.691 246 2HG1 ILE 34 2HG1 ILE 34 -9.311 5.229 2.379 247 1HG2 ILE 34 1HG2 ILE 34 -12.072 4.035 4.643 248 2HG2 ILE 34 2HG2 ILE 34 -11.689 5.570 3.875 249 3HG2 ILE 34 3HG2 ILE 34 -11.705 4.089 2.921 250 1HD1 ILE 34 1HD1 ILE 34 -10.745 6.717 3.984 251 2HD1 ILE 34 2HD1 ILE 34 -9.204 7.024 4.791 252 3HD1 ILE 34 3HD1 ILE 34 -9.414 7.459 3.094 253 H TYR 35 H TYR 35 -11.499 5.396 7.193 254 HA TYR 35 HA TYR 35 -12.632 2.722 7.900 255 1HB TYR 35 1HB TYR 35 -13.276 4.194 10.057 256 2HB TYR 35 2HB TYR 35 -11.747 3.329 9.950 257 HD1 TYR 35 HD1 TYR 35 -9.746 4.665 8.829 258 HD2 TYR 35 HD2 TYR 35 -13.289 6.488 10.449 259 HE1 TYR 35 HE1 TYR 35 -8.549 6.821 9.018 260 HE2 TYR 35 HE2 TYR 35 -12.086 8.648 10.637 261 HH TYR 35 HH TYR 35 -9.167 9.114 10.817 262 HA PRO 36 HA PRO 36 -16.550 4.339 6.790 263 1HB PRO 36 1HB PRO 36 -18.188 3.521 8.849 264 2HB PRO 36 2HB PRO 36 -17.575 2.441 7.584 265 1HG PRO 36 1HG PRO 36 -16.680 2.709 10.425 266 2HG PRO 36 2HG PRO 36 -16.649 1.287 9.368 267 1HD PRO 36 1HD PRO 36 -14.428 2.876 9.973 268 2HD PRO 36 2HD PRO 36 -14.541 1.777 8.586 269 H GLY 37 H GLY 37 -16.051 6.589 6.985 270 1HA GLY 37 1HA GLY 37 -17.494 8.459 8.042 271 2HA GLY 37 2HA GLY 37 -16.824 7.875 9.566 272 H HIS 38 H HIS 38 -14.458 7.456 7.259 273 HA HIS 38 HA HIS 38 -12.628 9.277 8.319 274 1HB HIS 38 1HB HIS 38 -11.958 7.520 6.755 275 2HB HIS 38 2HB HIS 38 -12.851 8.305 5.453 276 HD1 HIS 38 HD1 HIS 38 -10.013 9.135 7.869 277 HD2 HIS 38 HD2 HIS 38 -11.315 10.113 4.032 278 HE1 HIS 38 HE1 HIS 38 -8.238 10.644 6.873 279 H ALA 39 H ALA 39 -12.253 11.456 8.063 280 HA ALA 39 HA ALA 39 -14.289 13.202 7.206 281 1HB ALA 39 1HB ALA 39 -11.612 13.436 8.180 282 2HB ALA 39 2HB ALA 39 -11.776 14.487 6.773 283 3HB ALA 39 3HB ALA 39 -12.870 14.671 8.144 284 HA PRO 40 HA PRO 40 -13.908 13.507 2.847 285 1HB PRO 40 1HB PRO 40 -14.131 16.216 2.428 286 2HB PRO 40 2HB PRO 40 -15.492 15.181 2.894 287 1HG PRO 40 1HG PRO 40 -13.960 17.129 4.555 288 2HG PRO 40 2HG PRO 40 -15.633 16.575 4.732 289 1HD PRO 40 1HD PRO 40 -13.429 15.691 6.268 290 2HD PRO 40 2HD PRO 40 -15.023 14.910 6.185 291 H LEU 41 H LEU 41 -11.586 12.843 2.840 292 HA LEU 41 HA LEU 41 -9.655 15.086 2.556 293 1HB LEU 41 1HB LEU 41 -9.501 12.324 3.470 294 2HB LEU 41 2HB LEU 41 -8.277 12.671 2.248 295 HG LEU 41 HG LEU 41 -7.417 13.190 4.492 296 1HD1 LEU 41 1HD1 LEU 41 -7.322 14.826 2.272 297 2HD1 LEU 41 2HD1 LEU 41 -7.829 15.941 3.541 298 3HD1 LEU 41 3HD1 LEU 41 -6.333 15.026 3.719 299 1HD2 LEU 41 1HD2 LEU 41 -10.052 14.089 4.921 300 2HD2 LEU 41 2HD2 LEU 41 -8.710 14.165 6.062 301 3HD2 LEU 41 3HD2 LEU 41 -9.045 15.534 5.004 302 H LEU 42 H LEU 42 -8.597 15.474 0.609 303 HA LEU 42 HA LEU 42 -9.029 13.616 -1.653 304 1HB LEU 42 1HB LEU 42 -10.780 15.692 -1.359 305 2HB LEU 42 2HB LEU 42 -9.525 16.450 -2.341 306 HG LEU 42 HG LEU 42 -10.238 13.733 -3.213 307 1HD1 LEU 42 1HD1 LEU 42 -12.377 15.344 -2.431 308 2HD1 LEU 42 2HD1 LEU 42 -12.260 15.603 -4.171 309 3HD1 LEU 42 3HD1 LEU 42 -12.460 13.971 -3.534 310 1HD2 LEU 42 1HD2 LEU 42 -10.056 16.441 -4.570 311 2HD2 LEU 42 2HD2 LEU 42 -8.780 15.225 -4.502 312 3HD2 LEU 42 3HD2 LEU 42 -10.257 14.904 -5.412 313 H THR 43 H THR 43 -6.742 13.311 -1.570 314 HA THR 43 HA THR 43 -5.225 15.491 -2.862 315 HB THR 43 HB THR 43 -3.538 15.642 -1.196 316 HG1 THR 43 HG1 THR 43 -4.773 13.610 0.308 317 1HG2 THR 43 1HG2 THR 43 -5.642 16.804 -0.594 318 2HG2 THR 43 2HG2 THR 43 -6.175 15.364 0.271 319 3HG2 THR 43 3HG2 THR 43 -4.766 16.260 0.837 320 H ALA 44 H ALA 44 -2.753 13.832 -1.902 321 HA ALA 44 HA ALA 44 -3.000 11.830 -4.086 322 1HB ALA 44 1HB ALA 44 -0.573 12.920 -2.629 323 2HB ALA 44 2HB ALA 44 -0.511 11.711 -3.910 324 3HB ALA 44 3HB ALA 44 -1.088 13.340 -4.262 325 H ILE 45 H ILE 45 -1.713 9.722 -3.595 326 HA ILE 45 HA ILE 45 -2.597 8.780 -0.913 327 HB ILE 45 HB ILE 45 -1.507 6.757 -2.742 328 1HG1 ILE 45 1HG1 ILE 45 -2.430 8.219 -4.468 329 2HG1 ILE 45 2HG1 ILE 45 -3.497 6.828 -4.264 330 1HG2 ILE 45 1HG2 ILE 45 -2.876 6.431 -0.629 331 2HG2 ILE 45 2HG2 ILE 45 -4.266 7.040 -1.528 332 3HG2 ILE 45 3HG2 ILE 45 -3.464 5.556 -2.042 333 1HD1 ILE 45 1HD1 ILE 45 -4.332 8.808 -2.400 334 2HD1 ILE 45 2HD1 ILE 45 -4.124 9.610 -3.957 335 3HD1 ILE 45 3HD1 ILE 45 -5.203 8.221 -3.817 336 H LYS 46 H LYS 46 -1.030 6.962 -0.037 337 HA LYS 46 HA LYS 46 1.733 8.094 -0.196 338 1HB LYS 46 1HB LYS 46 0.853 6.317 2.053 339 2HB LYS 46 2HB LYS 46 2.029 7.630 2.063 340 1HG LYS 46 1HG LYS 46 -0.402 8.846 1.358 341 2HG LYS 46 2HG LYS 46 -0.811 7.720 2.651 342 1HD LYS 46 1HD LYS 46 0.482 8.820 4.208 343 2HD LYS 46 2HD LYS 46 1.642 9.380 3.003 344 1HE LYS 46 1HE LYS 46 -0.284 10.853 2.111 345 2HE LYS 46 2HE LYS 46 -1.079 10.512 3.649 346 1HZ LYS 46 1HZ LYS 46 1.686 11.557 3.468 347 2HZ LYS 46 2HZ LYS 46 0.326 12.570 3.576 348 3HZ LYS 46 3HZ LYS 46 0.686 11.488 4.837 349 HA PRO 47 HA PRO 47 2.972 4.209 -1.873 350 1HB PRO 47 1HB PRO 47 5.677 4.507 -1.471 351 2HB PRO 47 2HB PRO 47 4.782 5.334 -2.758 352 1HG PRO 47 1HG PRO 47 5.849 6.444 -0.203 353 2HG PRO 47 2HG PRO 47 5.540 7.265 -1.741 354 1HD PRO 47 1HD PRO 47 3.885 7.370 0.550 355 2HD PRO 47 2HD PRO 47 3.435 7.892 -1.088 356 H GLY 48 H GLY 48 2.764 2.273 -0.803 357 1HA GLY 48 1HA GLY 48 4.544 1.212 1.062 358 2HA GLY 48 2HA GLY 48 3.312 2.020 2.029 359 H MET 49 H MET 49 2.664 -0.094 2.838 360 HA MET 49 HA MET 49 1.225 -1.775 0.825 361 1HB MET 49 1HB MET 49 1.323 -3.561 2.560 362 2HB MET 49 2HB MET 49 2.929 -2.999 2.094 363 1HG MET 49 1HG MET 49 3.310 -1.972 4.118 364 2HG MET 49 2HG MET 49 1.605 -1.594 4.365 365 1HE MET 49 1HE MET 49 0.031 -3.776 3.925 366 2HE MET 49 2HE MET 49 0.049 -5.008 5.185 367 3HE MET 49 3HE MET 49 -0.153 -3.305 5.613 368 H ILE 50 H ILE 50 -0.701 -3.011 2.200 369 HA ILE 50 HA ILE 50 -2.048 -1.170 4.038 370 HB ILE 50 HB ILE 50 -2.688 -0.085 2.011 371 1HG1 ILE 50 1HG1 ILE 50 -4.835 -2.024 2.925 372 2HG1 ILE 50 2HG1 ILE 50 -4.593 -0.366 3.472 373 1HG2 ILE 50 1HG2 ILE 50 -2.388 -2.729 0.940 374 2HG2 ILE 50 2HG2 ILE 50 -3.996 -2.133 0.525 375 3HG2 ILE 50 3HG2 ILE 50 -2.565 -1.208 0.066 376 1HD1 ILE 50 1HD1 ILE 50 -4.795 -0.381 0.611 377 2HD1 ILE 50 2HD1 ILE 50 -6.169 -1.256 1.287 378 3HD1 ILE 50 3HD1 ILE 50 -5.852 0.408 1.782 379 H ARG 51 H ARG 51 -3.436 -2.277 5.351 380 HA ARG 51 HA ARG 51 -3.938 -5.145 4.725 381 1HB ARG 51 1HB ARG 51 -3.225 -3.713 7.125 382 2HB ARG 51 2HB ARG 51 -4.794 -4.484 7.358 383 1HG ARG 51 1HG ARG 51 -3.271 -6.413 6.031 384 2HG ARG 51 2HG ARG 51 -2.153 -5.700 7.196 385 1HD ARG 51 1HD ARG 51 -4.867 -6.917 7.774 386 2HD ARG 51 2HD ARG 51 -3.295 -7.513 8.308 387 HE ARG 51 HE ARG 51 -3.276 -5.083 9.458 388 1HH1 ARG 51 1HH1 ARG 51 -5.205 -7.861 9.707 389 2HH1 ARG 51 2HH1 ARG 51 -6.268 -7.210 10.909 390 1HH2 ARG 51 1HH2 ARG 51 -4.907 -4.023 10.765 391 2HH2 ARG 51 2HH2 ARG 51 -6.102 -5.035 11.505 392 H ILE 52 H ILE 52 -6.232 -5.823 5.727 393 HA ILE 52 HA ILE 52 -8.256 -3.740 5.691 394 HB ILE 52 HB ILE 52 -7.400 -4.806 3.225 395 1HG1 ILE 52 1HG1 ILE 52 -9.925 -3.255 3.719 396 2HG1 ILE 52 2HG1 ILE 52 -8.315 -2.549 3.849 397 1HG2 ILE 52 1HG2 ILE 52 -9.071 -6.690 3.852 398 2HG2 ILE 52 2HG2 ILE 52 -10.318 -5.464 3.612 399 3HG2 ILE 52 3HG2 ILE 52 -9.260 -5.919 2.277 400 1HD1 ILE 52 1HD1 ILE 52 -8.275 -3.982 1.448 401 2HD1 ILE 52 2HD1 ILE 52 -9.836 -3.157 1.464 402 3HD1 ILE 52 3HD1 ILE 52 -8.344 -2.229 1.627 403 H VAL 53 H VAL 53 -10.356 -4.568 6.272 404 HA VAL 53 HA VAL 53 -10.435 -7.462 6.960 405 HB VAL 53 HB VAL 53 -11.066 -5.128 8.785 406 1HG1 VAL 53 1HG1 VAL 53 -12.797 -6.980 8.810 407 2HG1 VAL 53 2HG1 VAL 53 -11.515 -8.069 9.337 408 3HG1 VAL 53 3HG1 VAL 53 -11.984 -6.702 10.349 409 1HG2 VAL 53 1HG2 VAL 53 -8.682 -5.998 8.575 410 2HG2 VAL 53 2HG2 VAL 53 -9.364 -6.068 10.201 411 3HG2 VAL 53 3HG2 VAL 53 -9.270 -7.530 9.220 412 H LYS 54 H LYS 54 -11.982 -7.984 5.441 413 HA LYS 54 HA LYS 54 -14.661 -7.899 5.841 414 1HB LYS 54 1HB LYS 54 -14.771 -5.496 5.969 415 2HB LYS 54 2HB LYS 54 -13.851 -5.317 4.476 416 1HG LYS 54 1HG LYS 54 -15.699 -5.601 3.202 417 2HG LYS 54 2HG LYS 54 -16.211 -7.003 4.142 418 1HD LYS 54 1HD LYS 54 -16.569 -4.815 5.861 419 2HD LYS 54 2HD LYS 54 -17.164 -4.269 4.293 420 1HE LYS 54 1HE LYS 54 -19.059 -5.309 5.169 421 2HE LYS 54 2HE LYS 54 -18.338 -6.619 4.233 422 1HZ LYS 54 1HZ LYS 54 -17.101 -6.755 6.662 423 2HZ LYS 54 2HZ LYS 54 -18.718 -6.405 7.054 424 3HZ LYS 54 3HZ LYS 54 -18.351 -7.769 6.116 425 H GLN 55 H GLN 55 -13.979 -6.321 2.806 426 HA GLN 55 HA GLN 55 -14.099 -7.187 0.623 427 1HB GLN 55 1HB GLN 55 -11.806 -7.983 1.595 428 2HB GLN 55 2HB GLN 55 -12.572 -9.570 1.643 429 1HG GLN 55 1HG GLN 55 -13.268 -8.927 -0.841 430 2HG GLN 55 2HG GLN 55 -11.845 -7.890 -0.722 431 1HE2 GLN 55 2HE2 GLN 55 -11.812 -10.095 -2.504 432 2HE2 GLN 55 1HE2 GLN 55 -10.736 -11.269 -1.913 433 H HIS 56 H HIS 56 -16.117 -8.125 2.702 434 HA HIS 56 HA HIS 56 -17.776 -9.788 2.924 435 1HB HIS 56 1HB HIS 56 -17.712 -8.713 0.303 436 2HB HIS 56 2HB HIS 56 -17.979 -10.447 0.121 437 HD1 HIS 56 HD1 HIS 56 -20.226 -8.285 -0.386 438 HD2 HIS 56 HD2 HIS 56 -19.742 -10.462 3.138 439 HE1 HIS 56 HE1 HIS 56 -22.478 -8.284 0.773 440 H GLY 57 H GLY 57 -15.736 -11.122 3.732 441 1HA GLY 57 1HA GLY 57 -16.051 -13.803 3.131 442 2HA GLY 57 2HA GLY 57 -14.850 -13.257 1.959 443 H HIS 58 H HIS 58 -13.142 -11.696 3.177 444 HA HIS 58 HA HIS 58 -12.505 -12.526 5.901 445 1HB HIS 58 1HB HIS 58 -11.631 -14.221 3.866 446 2HB HIS 58 2HB HIS 58 -10.222 -13.221 4.218 447 HD1 HIS 58 HD1 HIS 58 -11.825 -16.215 5.338 448 HD2 HIS 58 HD2 HIS 58 -9.845 -13.092 7.263 449 HE1 HIS 58 HE1 HIS 58 -11.175 -17.081 7.627 450 H GLU 59 H GLU 59 -9.694 -11.962 5.700 451 HA GLU 59 HA GLU 59 -9.837 -9.049 5.042 452 1HB GLU 59 1HB GLU 59 -7.817 -8.941 6.624 453 2HB GLU 59 2HB GLU 59 -9.379 -9.289 7.366 454 1HG GLU 59 1HG GLU 59 -8.802 -11.439 7.891 455 2HG GLU 59 2HG GLU 59 -7.848 -11.647 6.422 456 H GLU 60 H GLU 60 -7.850 -8.095 4.129 457 HA GLU 60 HA GLU 60 -5.825 -9.926 3.051 458 1HB GLU 60 1HB GLU 60 -8.115 -9.077 1.470 459 2HB GLU 60 2HB GLU 60 -6.601 -8.528 0.749 460 1HG GLU 60 1HG GLU 60 -5.717 -10.872 0.998 461 2HG GLU 60 2HG GLU 60 -7.330 -11.370 1.510 462 H PHE 61 H PHE 61 -4.133 -8.649 1.829 463 HA PHE 61 HA PHE 61 -4.115 -5.788 2.687 464 1HB PHE 61 1HB PHE 61 -1.535 -6.225 2.844 465 2HB PHE 61 2HB PHE 61 -2.575 -6.724 4.179 466 HD1 PHE 61 HD1 PHE 61 -0.834 -7.917 1.121 467 HD2 PHE 61 HD2 PHE 61 -2.845 -9.027 4.749 468 HE1 PHE 61 HE1 PHE 61 -0.094 -10.265 0.812 469 HE2 PHE 61 HE2 PHE 61 -2.107 -11.375 4.441 470 HZ PHE 61 HZ PHE 61 -0.732 -11.994 2.472 471 H ILE 62 H ILE 62 -3.741 -4.417 1.004 472 HA ILE 62 HA ILE 62 -2.827 -5.607 -1.564 473 HB ILE 62 HB ILE 62 -3.742 -2.771 -1.395 474 1HG1 ILE 62 1HG1 ILE 62 -5.527 -5.191 -1.004 475 2HG1 ILE 62 2HG1 ILE 62 -5.381 -3.786 0.052 476 1HG2 ILE 62 1HG2 ILE 62 -3.139 -4.529 -3.418 477 2HG2 ILE 62 2HG2 ILE 62 -4.895 -4.673 -3.330 478 3HG2 ILE 62 3HG2 ILE 62 -4.151 -3.097 -3.607 479 1HD1 ILE 62 1HD1 ILE 62 -6.031 -2.565 -2.288 480 2HD1 ILE 62 2HD1 ILE 62 -6.888 -4.095 -2.479 481 3HD1 ILE 62 3HD1 ILE 62 -7.223 -3.064 -1.087 482 H TYR 63 H TYR 63 -1.985 -3.033 -2.637 483 HA TYR 63 HA TYR 63 0.057 -1.811 -1.058 484 1HB TYR 63 1HB TYR 63 1.280 -3.850 -1.072 485 2HB TYR 63 2HB TYR 63 0.880 -4.172 -2.758 486 HD1 TYR 63 HD1 TYR 63 2.973 -2.162 -0.474 487 HD2 TYR 63 HD2 TYR 63 2.060 -3.068 -4.573 488 HE1 TYR 63 HE1 TYR 63 5.043 -1.001 -1.193 489 HE2 TYR 63 HE2 TYR 63 4.130 -1.908 -5.291 490 HH TYR 63 HH TYR 63 6.387 -1.346 -4.219 491 H LEU 64 H LEU 64 0.469 0.101 -2.094 492 HA LEU 64 HA LEU 64 0.449 0.155 -5.063 493 1HB LEU 64 1HB LEU 64 -1.044 2.169 -5.026 494 2HB LEU 64 2HB LEU 64 -1.852 0.697 -4.484 495 HG LEU 64 HG LEU 64 -0.487 2.280 -2.375 496 1HD1 LEU 64 1HD1 LEU 64 -2.793 3.300 -4.012 497 2HD1 LEU 64 2HD1 LEU 64 -2.727 3.658 -2.287 498 3HD1 LEU 64 3HD1 LEU 64 -1.421 4.188 -3.347 499 1HD2 LEU 64 1HD2 LEU 64 -2.074 0.129 -2.333 500 2HD2 LEU 64 2HD2 LEU 64 -2.107 1.321 -1.032 501 3HD2 LEU 64 3HD2 LEU 64 -3.332 1.365 -2.299 502 H SER 65 H SER 65 0.636 2.903 -5.408 503 HA SER 65 HA SER 65 3.092 3.576 -3.834 504 1HB SER 65 1HB SER 65 2.445 4.030 -6.752 505 2HB SER 65 2HB SER 65 3.725 4.916 -5.926 506 HG SER 65 HG SER 65 3.612 2.127 -5.677 507 H GLY 66 H GLY 66 1.546 5.698 -6.165 508 1HA GLY 66 1HA GLY 66 0.574 7.376 -3.886 509 2HA GLY 66 2HA GLY 66 1.400 8.085 -5.274 510 H GLY 67 H GLY 67 -0.135 9.195 -6.396 511 1HA GLY 67 1HA GLY 67 -1.885 9.047 -8.104 512 2HA GLY 67 2HA GLY 67 -2.585 7.698 -7.207 513 H ILE 68 H ILE 68 -4.582 9.128 -7.436 514 HA ILE 68 HA ILE 68 -4.601 11.221 -5.298 515 HB ILE 68 HB ILE 68 -5.130 12.070 -7.569 516 1HG1 ILE 68 1HG1 ILE 68 -7.665 11.996 -5.924 517 2HG1 ILE 68 2HG1 ILE 68 -6.248 12.907 -5.403 518 1HG2 ILE 68 1HG2 ILE 68 -7.401 10.067 -7.380 519 2HG2 ILE 68 2HG2 ILE 68 -7.272 11.321 -8.614 520 3HG2 ILE 68 3HG2 ILE 68 -6.068 10.036 -8.535 521 1HD1 ILE 68 1HD1 ILE 68 -7.689 13.257 -8.049 522 2HD1 ILE 68 2HD1 ILE 68 -7.807 14.346 -6.667 523 3HD1 ILE 68 3HD1 ILE 68 -6.274 14.170 -7.521 524 H LEU 69 H LEU 69 -5.969 10.904 -3.585 525 HA LEU 69 HA LEU 69 -7.808 8.555 -3.746 526 1HB LEU 69 1HB LEU 69 -6.206 8.015 -2.103 527 2HB LEU 69 2HB LEU 69 -6.122 9.672 -1.508 528 HG LEU 69 HG LEU 69 -8.729 8.204 -1.317 529 1HD1 LEU 69 1HD1 LEU 69 -6.284 7.771 0.406 530 2HD1 LEU 69 2HD1 LEU 69 -7.914 7.492 1.017 531 3HD1 LEU 69 3HD1 LEU 69 -7.313 6.555 -0.351 532 1HD2 LEU 69 1HD2 LEU 69 -7.441 10.611 -0.272 533 2HD2 LEU 69 2HD2 LEU 69 -9.155 10.202 -0.342 534 3HD2 LEU 69 3HD2 LEU 69 -8.168 9.638 1.006 535 H GLU 70 H GLU 70 -9.893 9.201 -3.870 536 HA GLU 70 HA GLU 70 -10.673 11.727 -2.472 537 1HB GLU 70 1HB GLU 70 -12.705 11.469 -4.141 538 2HB GLU 70 2HB GLU 70 -11.183 12.158 -4.708 539 1HG GLU 70 1HG GLU 70 -10.485 9.915 -5.507 540 2HG GLU 70 2HG GLU 70 -12.039 9.262 -4.989 541 H VAL 71 H VAL 71 -12.080 11.463 -0.789 542 HA VAL 71 HA VAL 71 -13.283 8.767 -0.426 543 HB VAL 71 HB VAL 71 -11.928 9.744 1.428 544 1HG1 VAL 71 1HG1 VAL 71 -14.123 11.829 1.341 545 2HG1 VAL 71 2HG1 VAL 71 -13.053 11.609 2.725 546 3HG1 VAL 71 3HG1 VAL 71 -12.387 12.091 1.166 547 1HG2 VAL 71 1HG2 VAL 71 -13.913 8.162 1.758 548 2HG2 VAL 71 2HG2 VAL 71 -13.450 9.120 3.163 549 3HG2 VAL 71 3HG2 VAL 71 -14.850 9.588 2.199 550 H GLN 72 H GLN 72 -15.509 8.496 -0.162 551 HA GLN 72 HA GLN 72 -17.189 10.916 -0.692 552 1HB GLN 72 1HB GLN 72 -16.941 8.490 -2.220 553 2HB GLN 72 2HB GLN 72 -18.570 8.582 -1.549 554 1HG GLN 72 1HG GLN 72 -18.599 11.013 -2.383 555 2HG GLN 72 2HG GLN 72 -17.170 10.585 -3.323 556 1HE2 GLN 72 2HE2 GLN 72 -18.209 10.656 -5.406 557 2HE2 GLN 72 1HE2 GLN 72 -19.415 9.552 -5.859 558 HA PRO 73 HA PRO 73 -19.649 9.707 2.736 559 1HB PRO 73 1HB PRO 73 -22.207 10.130 1.824 560 2HB PRO 73 2HB PRO 73 -21.085 11.437 2.233 561 1HG PRO 73 1HG PRO 73 -21.946 10.476 -0.456 562 2HG PRO 73 2HG PRO 73 -21.378 12.081 0.033 563 1HD PRO 73 1HD PRO 73 -19.847 10.123 -1.321 564 2HD PRO 73 2HD PRO 73 -19.213 11.585 -0.535 565 H GLY 74 H GLY 74 -19.257 7.407 2.854 566 1HA GLY 74 1HA GLY 74 -20.538 5.350 3.227 567 2HA GLY 74 2HA GLY 74 -21.528 5.766 1.829 568 H ASN 75 H ASN 75 -18.812 6.593 0.526 569 HA ASN 75 HA ASN 75 -17.514 3.990 0.142 570 1HB ASN 75 1HB ASN 75 -17.942 4.402 -2.467 571 2HB ASN 75 2HB ASN 75 -19.065 3.459 -1.488 572 1HD2 ASN 75 2HD2 ASN 75 -21.184 4.075 -1.913 573 2HD2 ASN 75 1HD2 ASN 75 -21.698 5.661 -2.232 574 H VAL 76 H VAL 76 -15.499 4.217 -1.028 575 HA VAL 76 HA VAL 76 -14.726 7.012 -1.696 576 HB VAL 76 HB VAL 76 -13.869 6.779 0.514 577 1HG1 VAL 76 1HG1 VAL 76 -14.190 4.163 0.302 578 2HG1 VAL 76 2HG1 VAL 76 -12.478 4.199 -0.119 579 3HG1 VAL 76 3HG1 VAL 76 -13.016 4.823 1.439 580 1HG2 VAL 76 1HG2 VAL 76 -12.173 6.996 -1.698 581 2HG2 VAL 76 2HG2 VAL 76 -11.784 7.449 -0.039 582 3HG2 VAL 76 3HG2 VAL 76 -11.364 5.844 -0.636 583 H THR 77 H THR 77 -13.220 7.153 -3.381 584 HA THR 77 HA THR 77 -12.257 4.567 -4.529 585 HB THR 77 HB THR 77 -12.624 5.700 -6.805 586 HG1 THR 77 HG1 THR 77 -14.545 7.202 -6.462 587 1HG2 THR 77 1HG2 THR 77 -14.443 4.317 -5.042 588 2HG2 THR 77 2HG2 THR 77 -15.339 5.417 -6.088 589 3HG2 THR 77 3HG2 THR 77 -14.288 4.189 -6.793 590 H VAL 78 H VAL 78 -10.197 4.692 -5.517 591 HA VAL 78 HA VAL 78 -8.842 7.316 -5.633 592 HB VAL 78 HB VAL 78 -7.025 6.681 -4.195 593 1HG1 VAL 78 1HG1 VAL 78 -9.241 7.416 -3.145 594 2HG1 VAL 78 2HG1 VAL 78 -9.509 5.715 -2.763 595 3HG1 VAL 78 3HG1 VAL 78 -8.125 6.566 -2.077 596 1HG2 VAL 78 1HG2 VAL 78 -8.394 3.974 -4.086 597 2HG2 VAL 78 2HG2 VAL 78 -6.832 4.334 -4.824 598 3HG2 VAL 78 3HG2 VAL 78 -7.025 4.435 -3.073 599 H LEU 79 H LEU 79 -7.095 7.302 -7.106 600 HA LEU 79 HA LEU 79 -6.644 4.702 -8.511 601 1HB LEU 79 1HB LEU 79 -7.894 5.947 -10.071 602 2HB LEU 79 2HB LEU 79 -7.122 7.465 -9.618 603 HG LEU 79 HG LEU 79 -5.372 5.305 -10.705 604 1HD1 LEU 79 1HD1 LEU 79 -7.589 5.624 -12.110 605 2HD1 LEU 79 2HD1 LEU 79 -6.792 7.106 -12.637 606 3HD1 LEU 79 3HD1 LEU 79 -6.026 5.544 -12.924 607 1HD2 LEU 79 1HD2 LEU 79 -5.115 7.993 -10.001 608 2HD2 LEU 79 2HD2 LEU 79 -3.951 7.051 -10.934 609 3HD2 LEU 79 3HD2 LEU 79 -5.168 8.021 -11.764 610 H ALA 80 H ALA 80 -4.496 4.387 -9.320 611 HA ALA 80 HA ALA 80 -2.457 6.397 -8.540 612 1HB ALA 80 1HB ALA 80 -2.798 4.705 -6.657 613 2HB ALA 80 2HB ALA 80 -2.169 3.486 -7.765 614 3HB ALA 80 3HB ALA 80 -1.152 4.840 -7.274 615 H ASP 81 H ASP 81 -0.202 4.841 -9.100 616 HA ASP 81 HA ASP 81 -0.657 4.149 -11.976 617 1HB ASP 81 1HB ASP 81 0.696 6.148 -11.826 618 2HB ASP 81 2HB ASP 81 1.747 5.402 -10.620 619 H THR 82 H THR 82 0.681 3.159 -8.922 620 HA THR 82 HA THR 82 1.803 0.713 -10.219 621 HB THR 82 HB THR 82 2.425 2.048 -7.571 622 HG1 THR 82 HG1 THR 82 4.289 2.523 -8.522 623 1HG2 THR 82 1HG2 THR 82 3.286 -0.637 -8.669 624 2HG2 THR 82 2HG2 THR 82 4.107 0.180 -7.339 625 3HG2 THR 82 3HG2 THR 82 2.426 -0.325 -7.161 626 H ALA 83 H ALA 83 1.509 -1.314 -8.855 627 HA ALA 83 HA ALA 83 -0.490 -1.431 -6.805 628 1HB ALA 83 1HB ALA 83 -1.509 -1.206 -9.462 629 2HB ALA 83 2HB ALA 83 -1.824 -2.848 -8.900 630 3HB ALA 83 3HB ALA 83 -2.411 -1.469 -7.970 631 H ILE 84 H ILE 84 1.675 -2.671 -6.421 632 HA ILE 84 HA ILE 84 1.550 -5.407 -7.588 633 HB ILE 84 HB ILE 84 3.714 -4.022 -5.970 634 1HG1 ILE 84 1HG1 ILE 84 4.543 -4.861 -8.568 635 2HG1 ILE 84 2HG1 ILE 84 3.027 -3.976 -8.754 636 1HG2 ILE 84 1HG2 ILE 84 3.619 -6.479 -5.606 637 2HG2 ILE 84 2HG2 ILE 84 3.725 -6.721 -7.349 638 3HG2 ILE 84 3HG2 ILE 84 5.073 -5.994 -6.476 639 1HD1 ILE 84 1HD1 ILE 84 3.988 -2.141 -7.344 640 2HD1 ILE 84 2HD1 ILE 84 5.525 -3.005 -7.336 641 3HD1 ILE 84 3HD1 ILE 84 4.867 -2.391 -8.853 642 H ARG 85 H ARG 85 -0.448 -5.652 -6.149 643 HA ARG 85 HA ARG 85 -0.542 -5.570 -3.386 644 1HB ARG 85 1HB ARG 85 -1.896 -7.808 -3.641 645 2HB ARG 85 2HB ARG 85 -2.519 -6.330 -4.375 646 1HG ARG 85 1HG ARG 85 -1.987 -7.005 -6.525 647 2HG ARG 85 2HG ARG 85 -0.657 -8.031 -5.985 648 1HD ARG 85 1HD ARG 85 -2.090 -9.761 -6.264 649 2HD ARG 85 2HD ARG 85 -2.857 -9.197 -4.780 650 HE ARG 85 HE ARG 85 -4.563 -8.119 -6.120 651 1HH1 ARG 85 1HH1 ARG 85 -2.854 -7.420 -8.495 652 2HH1 ARG 85 2HH1 ARG 85 -3.450 -8.514 -9.698 653 1HH2 ARG 85 1HH2 ARG 85 -5.042 -10.578 -7.413 654 2HH2 ARG 85 2HH2 ARG 85 -4.691 -10.301 -9.085 655 H GLY 86 H GLY 86 -0.317 -7.457 -1.815 656 1HA GLY 86 1HA GLY 86 2.351 -8.312 -1.619 657 2HA GLY 86 2HA GLY 86 1.009 -9.110 -0.797 658 H GLN 87 H GLN 87 -0.447 -10.101 -2.942 659 HA GLN 87 HA GLN 87 0.849 -12.520 -3.559 660 1HB GLN 87 1HB GLN 87 -1.535 -11.084 -4.520 661 2HB GLN 87 2HB GLN 87 -0.829 -12.175 -5.712 662 1HG GLN 87 1HG GLN 87 -1.126 -13.183 -2.916 663 2HG GLN 87 2HG GLN 87 -2.585 -13.046 -3.898 664 1HE2 GLN 87 2HE2 GLN 87 -1.723 -13.766 -6.435 665 2HE2 GLN 87 1HE2 GLN 87 -1.108 -15.348 -6.423 666 H ASP 88 H ASP 88 0.057 -10.291 -6.208 667 HA ASP 88 HA ASP 88 1.287 -9.736 -8.128 668 1HB ASP 88 1HB ASP 88 2.620 -8.489 -6.461 669 2HB ASP 88 2HB ASP 88 3.592 -9.930 -6.165 670 H LEU 89 H LEU 89 1.036 -12.674 -7.124 671 HA LEU 89 HA LEU 89 1.911 -14.786 -7.707 672 1HB LEU 89 1HB LEU 89 1.626 -13.106 -10.121 673 2HB LEU 89 2HB LEU 89 2.659 -14.521 -10.320 674 HG LEU 89 HG LEU 89 0.069 -14.905 -8.890 675 1HD1 LEU 89 1HD1 LEU 89 -0.217 -13.460 -11.067 676 2HD1 LEU 89 2HD1 LEU 89 0.106 -14.983 -11.895 677 3HD1 LEU 89 3HD1 LEU 89 -1.273 -14.848 -10.803 678 1HD2 LEU 89 1HD2 LEU 89 2.011 -16.453 -10.546 679 2HD2 LEU 89 2HD2 LEU 89 1.167 -16.924 -9.072 680 3HD2 LEU 89 3HD2 LEU 89 0.320 -16.949 -10.619 681 H ASP 90 H ASP 90 3.855 -13.059 -6.457 682 HA ASP 90 HA ASP 90 6.303 -14.288 -7.588 683 1HB ASP 90 1HB ASP 90 5.642 -11.433 -7.695 684 2HB ASP 90 2HB ASP 90 7.186 -11.750 -6.905 685 H GLU 91 H GLU 91 8.183 -13.926 -5.994 686 HA GLU 91 HA GLU 91 7.345 -13.342 -3.228 687 1HB GLU 91 1HB GLU 91 8.163 -16.092 -4.180 688 2HB GLU 91 2HB GLU 91 8.323 -15.601 -2.493 689 1HG GLU 91 1HG GLU 91 5.916 -15.075 -2.411 690 2HG GLU 91 2HG GLU 91 5.750 -15.561 -4.099 691 H ALA 92 H ALA 92 10.049 -15.369 -4.297 692 HA ALA 92 HA ALA 92 11.987 -13.841 -2.860 693 1HB ALA 92 1HB ALA 92 12.163 -16.259 -3.741 694 2HB ALA 92 2HB ALA 92 12.632 -15.531 -5.278 695 3HB ALA 92 3HB ALA 92 13.613 -15.260 -3.838 696 H ARG 93 H ARG 93 10.658 -13.482 -6.073 697 HA ARG 93 HA ARG 93 12.758 -11.898 -7.205 698 1HB ARG 93 1HB ARG 93 9.947 -12.518 -7.841 699 2HB ARG 93 2HB ARG 93 10.492 -10.943 -8.417 700 1HG ARG 93 1HG ARG 93 12.128 -13.441 -8.860 701 2HG ARG 93 2HG ARG 93 10.864 -12.950 -9.988 702 1HD ARG 93 1HD ARG 93 12.982 -10.992 -9.123 703 2HD ARG 93 2HD ARG 93 13.296 -12.131 -10.432 704 HE ARG 93 HE ARG 93 11.476 -9.837 -10.544 705 1HH1 ARG 93 1HH1 ARG 93 12.136 -13.013 -11.704 706 2HH1 ARG 93 2HH1 ARG 93 11.539 -12.699 -13.300 707 1HH2 ARG 93 1HH2 ARG 93 10.806 -9.371 -12.661 708 2HH2 ARG 93 2HH2 ARG 93 10.786 -10.639 -13.841 709 H ALA 94 H ALA 94 10.230 -11.148 -4.917 710 HA ALA 94 HA ALA 94 10.620 -8.237 -5.272 711 1HB ALA 94 1HB ALA 94 8.350 -9.295 -4.802 712 2HB ALA 94 2HB ALA 94 8.943 -9.642 -3.178 713 3HB ALA 94 3HB ALA 94 8.801 -7.971 -3.726 714 H MET 95 H MET 95 11.841 -10.829 -3.408 715 HA MET 95 HA MET 95 12.644 -9.217 -1.105 716 1HB MET 95 1HB MET 95 12.779 -12.039 -1.940 717 2HB MET 95 2HB MET 95 14.181 -11.496 -1.022 718 1HG MET 95 1HG MET 95 12.960 -11.130 0.892 719 2HG MET 95 2HG MET 95 11.504 -10.684 0.000 720 1HE MET 95 1HE MET 95 12.959 -12.520 2.215 721 2HE MET 95 2HE MET 95 11.510 -13.452 2.616 722 3HE MET 95 3HE MET 95 12.919 -14.257 1.930 723 H GLU 96 H GLU 96 14.342 -10.740 -3.862 724 HA GLU 96 HA GLU 96 16.897 -9.574 -3.160 725 1HB GLU 96 1HB GLU 96 15.855 -10.818 -5.718 726 2HB GLU 96 2HB GLU 96 17.520 -10.273 -5.511 727 1HG GLU 96 1HG GLU 96 16.170 -12.252 -3.657 728 2HG GLU 96 2HG GLU 96 17.164 -12.731 -5.033 729 H ALA 97 H ALA 97 14.090 -8.252 -4.506 730 HA ALA 97 HA ALA 97 15.406 -6.319 -6.262 731 1HB ALA 97 1HB ALA 97 13.055 -7.093 -6.624 732 2HB ALA 97 2HB ALA 97 12.592 -6.277 -5.130 733 3HB ALA 97 3HB ALA 97 13.185 -5.338 -6.499 734 H LYS 98 H LYS 98 14.689 -6.553 -2.892 735 HA LYS 98 HA LYS 98 14.858 -3.640 -2.461 736 1HB LYS 98 1HB LYS 98 14.467 -4.150 -0.130 737 2HB LYS 98 2HB LYS 98 13.364 -5.141 -1.087 738 1HG LYS 98 1HG LYS 98 14.201 -6.949 -0.042 739 2HG LYS 98 2HG LYS 98 15.722 -6.654 -0.884 740 1HD LYS 98 1HD LYS 98 16.706 -5.669 0.946 741 2HD LYS 98 2HD LYS 98 15.182 -5.017 1.547 742 1HE LYS 98 1HE LYS 98 15.582 -6.709 3.095 743 2HE LYS 98 2HE LYS 98 14.583 -7.558 1.916 744 1HZ LYS 98 1HZ LYS 98 16.676 -8.263 0.818 745 2HZ LYS 98 2HZ LYS 98 17.543 -7.599 2.116 746 3HZ LYS 98 3HZ LYS 98 16.477 -8.894 2.383 747 H ARG 99 H ARG 99 17.069 -6.032 -3.068 748 HA ARG 99 HA ARG 99 19.097 -5.169 -1.118 749 1HB ARG 99 1HB ARG 99 18.700 -7.434 -2.839 750 2HB ARG 99 2HB ARG 99 20.267 -6.711 -3.202 751 1HG ARG 99 1HG ARG 99 20.758 -8.195 -1.442 752 2HG ARG 99 2HG ARG 99 20.584 -6.641 -0.623 753 1HD ARG 99 1HD ARG 99 18.167 -7.228 -0.200 754 2HD ARG 99 2HD ARG 99 18.511 -8.841 -0.826 755 HE ARG 99 HE ARG 99 19.574 -7.712 1.710 756 1HH1 ARG 99 1HH1 ARG 99 20.254 -10.005 -0.687 757 2HH1 ARG 99 2HH1 ARG 99 20.447 -11.332 0.410 758 1HH2 ARG 99 1HH2 ARG 99 19.404 -9.536 3.186 759 2HH2 ARG 99 2HH2 ARG 99 19.964 -11.067 2.603 760 H LYS 100 H LYS 100 18.380 -4.754 -4.564 761 HA LYS 100 HA LYS 100 20.811 -3.463 -5.300 762 1HB LYS 100 1HB LYS 100 19.662 -2.734 -7.259 763 2HB LYS 100 2HB LYS 100 18.936 -4.286 -6.840 764 1HG LYS 100 1HG LYS 100 17.012 -3.237 -5.887 765 2HG LYS 100 2HG LYS 100 17.776 -1.649 -5.911 766 1HD LYS 100 1HD LYS 100 17.644 -2.988 -8.538 767 2HD LYS 100 2HD LYS 100 16.079 -2.553 -7.850 768 1HE LYS 100 1HE LYS 100 18.431 -0.704 -8.335 769 2HE LYS 100 2HE LYS 100 16.870 -0.671 -9.156 770 1HZ LYS 100 1HZ LYS 100 16.058 -0.477 -6.656 771 2HZ LYS 100 2HZ LYS 100 17.586 0.245 -6.484 772 3HZ LYS 100 3HZ LYS 100 16.467 0.884 -7.586 773 H ALA 101 H ALA 101 18.141 -2.385 -3.390 774 HA ALA 101 HA ALA 101 18.839 0.468 -3.724 775 1HB ALA 101 1HB ALA 101 16.595 -1.068 -2.576 776 2HB ALA 101 2HB ALA 101 17.036 0.372 -1.660 777 3HB ALA 101 3HB ALA 101 16.592 0.511 -3.360 778 H GLU 102 H GLU 102 19.517 -2.195 -1.623 779 HA GLU 102 HA GLU 102 20.177 -0.773 0.766 780 1HB GLU 102 1HB GLU 102 19.954 -3.215 0.732 781 2HB GLU 102 2HB GLU 102 21.338 -3.345 -0.354 782 1HG GLU 102 1HG GLU 102 22.270 -1.786 1.773 783 2HG GLU 102 2HG GLU 102 21.294 -3.038 2.542 784 H GLU 103 H GLU 103 22.162 -1.699 -2.055 785 HA GLU 103 HA GLU 103 24.564 -0.455 -1.007 786 1HB GLU 103 1HB GLU 103 23.873 -1.158 -3.877 787 2HB GLU 103 2HB GLU 103 25.486 -0.847 -3.238 788 1HG GLU 103 1HG GLU 103 24.261 -2.835 -1.594 789 2HG GLU 103 2HG GLU 103 24.056 -3.319 -3.277 790 H HIS 104 H HIS 104 21.705 0.837 -2.190 791 HA HIS 104 HA HIS 104 22.959 3.168 -3.499 792 1HB HIS 104 1HB HIS 104 20.750 2.033 -4.224 793 2HB HIS 104 2HB HIS 104 20.028 2.868 -2.849 794 HD1 HIS 104 HD1 HIS 104 20.441 3.340 -6.313 795 HD2 HIS 104 HD2 HIS 104 20.991 5.844 -3.026 796 HE1 HIS 104 HE1 HIS 104 20.373 5.711 -7.200 797 H ILE 105 H ILE 105 21.090 2.429 -0.556 798 HA ILE 105 HA ILE 105 21.340 5.212 0.366 799 HB ILE 105 HB ILE 105 20.200 2.751 1.722 800 1HG1 ILE 105 1HG1 ILE 105 18.294 4.800 1.054 801 2HG1 ILE 105 2HG1 ILE 105 19.216 4.384 -0.391 802 1HG2 ILE 105 1HG2 ILE 105 20.717 5.505 2.615 803 2HG2 ILE 105 2HG2 ILE 105 19.054 4.976 2.866 804 3HG2 ILE 105 3HG2 ILE 105 20.387 4.058 3.566 805 1HD1 ILE 105 1HD1 ILE 105 18.353 2.089 1.272 806 2HD1 ILE 105 2HD1 ILE 105 17.058 2.970 0.463 807 3HD1 ILE 105 3HD1 ILE 105 18.369 2.266 -0.483 808 H SER 106 H SER 106 23.621 3.042 0.082 809 HA SER 106 HA SER 106 24.676 3.285 2.861 810 1HB SER 106 1HB SER 106 25.108 1.363 0.622 811 2HB SER 106 2HB SER 106 26.479 1.691 1.678 812 HG SER 106 HG SER 106 24.637 1.387 3.362 813 H SER 107 H SER 107 25.072 5.633 2.305 814 HA SER 107 HA SER 107 27.835 5.931 1.353 815 1HB SER 107 1HB SER 107 27.374 7.450 -0.427 816 2HB SER 107 2HB SER 107 26.294 6.084 -0.687 817 HG SER 107 HG SER 107 24.619 7.264 0.133 818 H SER 108 H SER 108 27.520 8.829 1.016 819 HA SER 108 HA SER 108 26.222 10.118 3.156 820 1HB SER 108 1HB SER 108 27.386 9.039 4.851 821 2HB SER 108 2HB SER 108 28.832 8.830 3.867 822 HG SER 108 HG SER 108 29.266 10.441 5.319 823 H HIS 109 H HIS 109 26.163 12.074 2.158 824 HA HIS 109 HA HIS 109 28.614 13.575 1.724 825 1HB HIS 109 1HB HIS 109 27.895 11.931 -0.383 826 2HB HIS 109 2HB HIS 109 27.164 13.474 -0.825 827 HD1 HIS 109 HD1 HIS 109 29.536 12.531 -2.484 828 HD2 HIS 109 HD2 HIS 109 29.970 14.881 0.933 829 HE1 HIS 109 HE1 HIS 109 31.777 13.694 -2.692 830 H GLY 110 H GLY 110 25.221 13.403 0.573 831 1HA GLY 110 1HA GLY 110 24.968 16.297 1.263 832 2HA GLY 110 2HA GLY 110 23.941 15.451 0.104 833 H ASP 111 H ASP 111 23.317 16.959 2.673 834 HA ASP 111 HA ASP 111 22.448 15.079 4.653 835 1HB ASP 111 1HB ASP 111 22.640 17.427 5.223 836 2HB ASP 111 2HB ASP 111 21.464 17.867 3.984 837 H VAL 112 H VAL 112 21.092 16.087 1.606 838 HA VAL 112 HA VAL 112 18.599 14.562 2.247 839 HB VAL 112 HB VAL 112 17.471 15.875 0.569 840 1HG1 VAL 112 1HG1 VAL 112 17.911 16.944 2.812 841 2HG1 VAL 112 2HG1 VAL 112 19.293 17.763 2.087 842 3HG1 VAL 112 3HG1 VAL 112 17.664 18.100 1.502 843 1HG2 VAL 112 1HG2 VAL 112 20.201 16.241 -0.376 844 2HG2 VAL 112 2HG2 VAL 112 18.683 16.456 -1.249 845 3HG2 VAL 112 3HG2 VAL 112 19.342 17.779 -0.288 846 H ASP 113 H ASP 113 21.373 13.741 1.173 847 HA ASP 113 HA ASP 113 20.774 12.776 -1.528 848 1HB ASP 113 1HB ASP 113 23.081 12.832 0.313 849 2HB ASP 113 2HB ASP 113 23.005 11.410 -0.728 850 H TYR 114 H TYR 114 22.264 10.638 0.809 851 HA TYR 114 HA TYR 114 20.408 8.504 0.122 852 1HB TYR 114 1HB TYR 114 21.730 7.122 1.559 853 2HB TYR 114 2HB TYR 114 22.874 8.229 0.803 854 HD1 TYR 114 HD1 TYR 114 23.764 10.177 2.068 855 HD2 TYR 114 HD2 TYR 114 21.248 7.227 3.916 856 HE1 TYR 114 HE1 TYR 114 24.455 10.991 4.308 857 HE2 TYR 114 HE2 TYR 114 21.939 8.040 6.156 858 HH TYR 114 HH TYR 114 22.852 10.013 7.191 859 H ALA 115 H ALA 115 20.652 10.973 2.509 860 HA ALA 115 HA ALA 115 19.082 9.933 4.618 861 1HB ALA 115 1HB ALA 115 20.196 12.425 3.878 862 2HB ALA 115 2HB ALA 115 18.470 12.718 4.110 863 3HB ALA 115 3HB ALA 115 19.428 12.019 5.417 864 H GLN 116 H GLN 116 18.162 11.398 1.532 865 HA GLN 116 HA GLN 116 15.292 11.207 2.181 866 1HB GLN 116 1HB GLN 116 16.951 12.426 0.044 867 2HB GLN 116 2HB GLN 116 15.371 11.829 -0.466 868 1HG GLN 116 1HG GLN 116 15.820 13.677 1.896 869 2HG GLN 116 2HG GLN 116 15.308 14.212 0.294 870 1HE2 GLN 116 2HE2 GLN 116 14.244 12.604 3.237 871 2HE2 GLN 116 1HE2 GLN 116 12.612 12.465 2.795 872 H ALA 117 H ALA 117 17.739 9.251 0.808 873 HA ALA 117 HA ALA 117 16.112 7.721 -1.025 874 1HB ALA 117 1HB ALA 117 18.704 7.843 -0.839 875 2HB ALA 117 2HB ALA 117 18.518 6.623 0.422 876 3HB ALA 117 3HB ALA 117 17.971 6.284 -1.221 877 H SER 118 H SER 118 16.775 7.536 2.425 878 HA SER 118 HA SER 118 15.930 4.926 3.008 879 1HB SER 118 1HB SER 118 16.791 6.279 4.788 880 2HB SER 118 2HB SER 118 15.557 7.510 4.539 881 HG SER 118 HG SER 118 14.793 4.868 5.095 882 H ALA 119 H ALA 119 14.032 7.674 1.981 883 HA ALA 119 HA ALA 119 11.480 6.477 2.770 884 1HB ALA 119 1HB ALA 119 12.236 9.035 2.235 885 2HB ALA 119 2HB ALA 119 11.503 8.591 0.693 886 3HB ALA 119 3HB ALA 119 10.562 8.483 2.181 887 H GLU 120 H GLU 120 13.422 6.731 -0.181 888 HA GLU 120 HA GLU 120 11.433 5.701 -1.972 889 1HB GLU 120 1HB GLU 120 14.451 5.449 -2.170 890 2HB GLU 120 2HB GLU 120 13.299 5.276 -3.496 891 1HG GLU 120 1HG GLU 120 13.854 7.781 -1.882 892 2HG GLU 120 2HG GLU 120 14.208 7.517 -3.590 893 H LEU 121 H LEU 121 14.134 4.060 -0.285 894 HA LEU 121 HA LEU 121 13.608 1.445 -1.206 895 1HB LEU 121 1HB LEU 121 15.620 1.856 0.036 896 2HB LEU 121 2HB LEU 121 14.711 2.425 1.437 897 HG LEU 121 HG LEU 121 13.723 0.168 1.698 898 1HD1 LEU 121 1HD1 LEU 121 13.849 -0.503 -0.676 899 2HD1 LEU 121 2HD1 LEU 121 15.608 -0.555 -0.568 900 3HD1 LEU 121 3HD1 LEU 121 14.633 -1.696 0.360 901 1HD2 LEU 121 1HD2 LEU 121 16.379 0.969 2.223 902 2HD2 LEU 121 2HD2 LEU 121 15.481 -0.320 3.025 903 3HD2 LEU 121 3HD2 LEU 121 16.488 -0.687 1.625 904 H ALA 122 H ALA 122 12.422 2.968 1.816 905 HA ALA 122 HA ALA 122 10.832 0.945 2.823 906 1HB ALA 122 1HB ALA 122 10.240 3.906 2.631 907 2HB ALA 122 2HB ALA 122 9.242 2.789 3.562 908 3HB ALA 122 3HB ALA 122 10.934 3.034 3.998 909 H LYS 123 H LYS 123 10.124 3.007 0.036 910 HA LYS 123 HA LYS 123 7.414 2.276 -0.368 911 1HB LYS 123 1HB LYS 123 8.782 4.044 -1.617 912 2HB LYS 123 2HB LYS 123 9.404 2.720 -2.602 913 1HG LYS 123 1HG LYS 123 6.482 2.677 -2.289 914 2HG LYS 123 2HG LYS 123 7.082 4.112 -3.120 915 1HD LYS 123 1HD LYS 123 8.503 1.812 -4.093 916 2HD LYS 123 2HD LYS 123 6.770 1.496 -4.184 917 1HE LYS 123 1HE LYS 123 6.425 3.603 -5.395 918 2HE LYS 123 2HE LYS 123 8.145 3.974 -5.266 919 1HZ LYS 123 1HZ LYS 123 7.684 1.374 -6.349 920 2HZ LYS 123 2HZ LYS 123 6.935 2.577 -7.281 921 3HZ LYS 123 3HZ LYS 123 8.606 2.657 -6.974 922 H ALA 124 H ALA 124 10.372 0.768 -1.712 923 HA ALA 124 HA ALA 124 8.847 -1.419 -2.894 924 1HB ALA 124 1HB ALA 124 11.329 -0.371 -3.369 925 2HB ALA 124 2HB ALA 124 11.741 -1.816 -2.445 926 3HB ALA 124 3HB ALA 124 10.802 -1.958 -3.931 927 H ILE 125 H ILE 125 9.923 -0.717 0.243 928 HA ILE 125 HA ILE 125 10.286 -3.542 1.022 929 HB ILE 125 HB ILE 125 10.299 -0.990 2.665 930 1HG1 ILE 125 1HG1 ILE 125 12.205 -1.013 1.209 931 2HG1 ILE 125 2HG1 ILE 125 12.782 -1.579 2.777 932 1HG2 ILE 125 1HG2 ILE 125 10.940 -3.868 3.372 933 2HG2 ILE 125 2HG2 ILE 125 11.366 -2.490 4.386 934 3HG2 ILE 125 3HG2 ILE 125 9.671 -2.861 4.071 935 1HD1 ILE 125 1HD1 ILE 125 12.108 -3.951 1.763 936 2HD1 ILE 125 2HD1 ILE 125 12.386 -3.106 0.241 937 3HD1 ILE 125 3HD1 ILE 125 13.682 -3.227 1.431 938 H ALA 126 H ALA 126 7.729 -1.339 0.663 939 HA ALA 126 HA ALA 126 6.055 -2.248 2.846 940 1HB ALA 126 1HB ALA 126 5.920 -0.261 0.839 941 2HB ALA 126 2HB ALA 126 4.529 -1.313 0.581 942 3HB ALA 126 3HB ALA 126 4.769 -0.536 2.147 943 H GLN 127 H GLN 127 6.540 -3.230 -0.511 944 HA GLN 127 HA GLN 127 4.324 -5.145 -0.434 945 1HB GLN 127 1HB GLN 127 5.450 -5.916 -2.632 946 2HB GLN 127 2HB GLN 127 4.758 -4.295 -2.599 947 1HG GLN 127 1HG GLN 127 6.890 -3.274 -2.340 948 2HG GLN 127 2HG GLN 127 7.658 -4.805 -1.921 949 1HE2 GLN 127 2HE2 GLN 127 8.706 -5.842 -3.625 950 2HE2 GLN 127 1HE2 GLN 127 8.400 -5.559 -5.270 951 H LEU 128 H LEU 128 7.499 -5.093 0.730 952 HA LEU 128 HA LEU 128 8.029 -7.958 0.362 953 1HB LEU 128 1HB LEU 128 9.710 -5.900 0.664 954 2HB LEU 128 2HB LEU 128 9.523 -6.323 2.367 955 HG LEU 128 HG LEU 128 9.845 -8.775 1.032 956 1HD1 LEU 128 1HD1 LEU 128 11.211 -6.586 -0.357 957 2HD1 LEU 128 2HD1 LEU 128 12.318 -7.848 0.185 958 3HD1 LEU 128 3HD1 LEU 128 10.963 -8.257 -0.866 959 1HD2 LEU 128 1HD2 LEU 128 10.975 -7.289 3.161 960 2HD2 LEU 128 2HD2 LEU 128 11.217 -9.000 2.807 961 3HD2 LEU 128 3HD2 LEU 128 12.324 -7.795 2.145 962 H ARG 129 H ARG 129 6.677 -5.843 2.812 963 HA ARG 129 HA ARG 129 6.787 -7.833 4.937 964 1HB ARG 129 1HB ARG 129 6.528 -5.179 5.022 965 2HB ARG 129 2HB ARG 129 4.813 -5.588 4.997 966 1HG ARG 129 1HG ARG 129 5.190 -5.673 7.275 967 2HG ARG 129 2HG ARG 129 5.572 -7.343 6.852 968 1HD ARG 129 1HD ARG 129 7.993 -6.437 6.484 969 2HD ARG 129 2HD ARG 129 7.452 -5.075 7.466 970 HE ARG 129 HE ARG 129 6.797 -7.577 8.747 971 1HH1 ARG 129 1HH1 ARG 129 8.286 -4.828 9.490 972 2HH1 ARG 129 2HH1 ARG 129 9.706 -5.505 10.216 973 1HH2 ARG 129 1HH2 ARG 129 9.096 -8.712 9.051 974 2HH2 ARG 129 2HH2 ARG 129 10.164 -7.704 9.968 975 H VAL 130 H VAL 130 4.327 -6.705 2.629 976 HA VAL 130 HA VAL 130 2.239 -8.394 3.731 977 HB VAL 130 HB VAL 130 1.029 -7.816 1.629 978 1HG1 VAL 130 1HG1 VAL 130 1.398 -6.264 3.734 979 2HG1 VAL 130 2HG1 VAL 130 2.319 -5.287 2.593 980 3HG1 VAL 130 3HG1 VAL 130 0.615 -5.624 2.289 981 1HG2 VAL 130 1HG2 VAL 130 3.079 -7.796 0.187 982 2HG2 VAL 130 2HG2 VAL 130 2.085 -6.352 -0.003 983 3HG2 VAL 130 3HG2 VAL 130 3.560 -6.286 0.960 984 H ILE 131 H ILE 131 4.607 -8.713 1.119 985 HA ILE 131 HA ILE 131 3.529 -11.146 0.022 986 HB ILE 131 HB ILE 131 5.184 -9.639 -1.119 987 1HG1 ILE 131 1HG1 ILE 131 4.756 -12.161 -1.616 988 2HG1 ILE 131 2HG1 ILE 131 6.169 -11.393 -2.334 989 1HG2 ILE 131 1HG2 ILE 131 7.096 -10.917 0.856 990 2HG2 ILE 131 2HG2 ILE 131 7.578 -9.934 -0.527 991 3HG2 ILE 131 3HG2 ILE 131 6.653 -9.212 0.790 992 1HD1 ILE 131 1HD1 ILE 131 6.803 -12.422 0.306 993 2HD1 ILE 131 2HD1 ILE 131 6.139 -13.695 -0.718 994 3HD1 ILE 131 3HD1 ILE 131 7.559 -12.792 -1.243 995 H GLU 132 H GLU 132 5.328 -10.449 2.885 996 HA GLU 132 HA GLU 132 6.537 -13.061 3.214 997 1HB GLU 132 1HB GLU 132 7.039 -10.759 4.413 998 2HB GLU 132 2HB GLU 132 5.816 -11.326 5.552 999 1HG GLU 132 1HG GLU 132 7.955 -13.249 4.741 1000 2HG GLU 132 2HG GLU 132 8.394 -11.954 5.856 1001 H LEU 133 H LEU 133 3.349 -11.862 3.559 1002 HA LEU 133 HA LEU 133 2.544 -13.955 5.482 1003 1HB LEU 133 1HB LEU 133 1.311 -11.526 4.302 1004 2HB LEU 133 2HB LEU 133 0.208 -12.852 4.663 1005 HG LEU 133 HG LEU 133 1.536 -12.908 6.953 1006 1HD1 LEU 133 1HD1 LEU 133 3.058 -11.036 5.973 1007 2HD1 LEU 133 2HD1 LEU 133 1.705 -9.963 6.335 1008 3HD1 LEU 133 3HD1 LEU 133 2.488 -10.864 7.633 1009 1HD2 LEU 133 1HD2 LEU 133 -0.927 -12.057 6.181 1010 2HD2 LEU 133 2HD2 LEU 133 -0.356 -11.977 7.848 1011 3HD2 LEU 133 3HD2 LEU 133 -0.262 -10.551 6.815 1012 H THR 134 H THR 134 1.842 -13.038 2.103 1013 HA THR 134 HA THR 134 0.168 -15.260 1.497 1014 HB THR 134 HB THR 134 1.041 -14.794 -0.908 1015 HG1 THR 134 HG1 THR 134 2.520 -13.320 -1.095 1016 1HG2 THR 134 1HG2 THR 134 -1.026 -13.828 0.361 1017 2HG2 THR 134 2HG2 THR 134 -0.064 -12.353 0.457 1018 3HG2 THR 134 3HG2 THR 134 -0.486 -13.030 -1.116 1019 H LYS 135 H LYS 135 3.665 -14.925 1.607 1020 HA LYS 135 HA LYS 135 4.339 -17.307 0.180 1021 1HB LYS 135 1HB LYS 135 6.498 -17.160 1.453 1022 2HB LYS 135 2HB LYS 135 6.039 -15.645 0.675 1023 1HG LYS 135 1HG LYS 135 5.606 -14.592 2.661 1024 2HG LYS 135 2HG LYS 135 5.038 -16.068 3.441 1025 1HD LYS 135 1HD LYS 135 7.880 -16.172 2.723 1026 2HD LYS 135 2HD LYS 135 7.503 -14.888 3.872 1027 1HE LYS 135 1HE LYS 135 7.722 -16.587 5.393 1028 2HE LYS 135 2HE LYS 135 6.044 -16.895 4.947 1029 1HZ LYS 135 1HZ LYS 135 7.870 -18.103 3.121 1030 2HZ LYS 135 2HZ LYS 135 8.135 -18.641 4.710 1031 3HZ LYS 135 3HZ LYS 135 6.601 -18.806 4.000 1032 H LYS 136 H LYS 136 3.252 -16.766 3.475 1033 HA LYS 136 HA LYS 136 3.657 -19.675 4.032 1034 1HB LYS 136 1HB LYS 136 4.265 -17.420 5.580 1035 2HB LYS 136 2HB LYS 136 2.808 -18.089 6.316 1036 1HG LYS 136 1HG LYS 136 4.412 -20.315 5.712 1037 2HG LYS 136 2HG LYS 136 5.519 -19.115 6.383 1038 1HD LYS 136 1HD LYS 136 4.701 -19.433 8.455 1039 2HD LYS 136 2HD LYS 136 3.052 -19.155 7.893 1040 1HE LYS 136 1HE LYS 136 2.931 -21.366 8.640 1041 2HE LYS 136 2HE LYS 136 3.265 -21.585 6.922 1042 1HZ LYS 136 1HZ LYS 136 5.295 -21.578 9.092 1043 2HZ LYS 136 2HZ LYS 136 4.709 -22.957 8.289 1044 3HZ LYS 136 3HZ LYS 136 5.611 -21.801 7.437 1045 H ALA 137 H ALA 137 1.329 -17.623 2.939 1046 HA ALA 137 HA ALA 137 -0.963 -18.144 4.506 1047 1HB ALA 137 1HB ALA 137 -0.621 -17.705 1.532 1048 2HB ALA 137 2HB ALA 137 -2.206 -17.871 2.286 1049 3HB ALA 137 3HB ALA 137 -1.145 -16.539 2.746 1050 H MET 138 H MET 138 0.903 -20.285 2.557 1051 HA MET 138 HA MET 138 -0.911 -22.192 1.650 1052 1HB MET 138 1HB MET 138 1.727 -22.133 1.646 1053 2HB MET 138 2HB MET 138 1.548 -23.121 3.096 1054 1HG MET 138 1HG MET 138 1.653 -24.695 1.334 1055 2HG MET 138 2HG MET 138 -0.067 -24.558 1.695 1056 1HE MET 138 1HE MET 138 0.337 -25.907 -0.311 1057 2HE MET 138 2HE MET 138 -0.767 -25.234 -1.508 1058 3HE MET 138 3HE MET 138 0.953 -25.342 -1.870 Start of MODEL 25 1 1H ALA 1 1H ALA 1 -21.320 3.994 8.394 2 2H ALA 1 2H ALA 1 -23.003 4.149 8.261 3 3H ALA 1 3H ALA 1 -22.077 5.441 8.860 4 HA ALA 1 HA ALA 1 -21.836 4.543 10.908 5 1HB ALA 1 1HB ALA 1 -24.352 3.351 9.730 6 2HB ALA 1 2HB ALA 1 -23.945 3.175 11.437 7 3HB ALA 1 3HB ALA 1 -24.199 4.780 10.752 8 H MET 2 H MET 2 -22.375 1.970 8.512 9 HA MET 2 HA MET 2 -20.383 0.316 9.943 10 1HB MET 2 1HB MET 2 -22.547 -0.365 10.919 11 2HB MET 2 2HB MET 2 -23.179 -0.676 9.302 12 1HG MET 2 1HG MET 2 -21.977 -2.612 9.055 13 2HG MET 2 2HG MET 2 -20.612 -2.006 9.993 14 1HE MET 2 1HE MET 2 -20.027 -2.353 11.864 15 2HE MET 2 2HE MET 2 -20.877 -2.857 13.330 16 3HE MET 2 3HE MET 2 -20.314 -4.062 12.175 17 H THR 3 H THR 3 -19.105 -0.748 8.481 18 HA THR 3 HA THR 3 -18.256 -1.380 6.380 19 HB THR 3 HB THR 3 -20.340 -2.250 4.875 20 HG1 THR 3 HG1 THR 3 -21.587 -3.222 6.865 21 1HG2 THR 3 1HG2 THR 3 -19.068 -3.605 7.267 22 2HG2 THR 3 2HG2 THR 3 -20.005 -4.448 6.034 23 3HG2 THR 3 3HG2 THR 3 -18.495 -3.646 5.600 24 H TYR 4 H TYR 4 -18.554 -0.975 3.947 25 HA TYR 4 HA TYR 4 -20.215 1.100 2.947 26 1HB TYR 4 1HB TYR 4 -18.755 3.016 2.944 27 2HB TYR 4 2HB TYR 4 -18.820 2.435 4.607 28 HD1 TYR 4 HD1 TYR 4 -17.027 0.375 4.987 29 HD2 TYR 4 HD2 TYR 4 -16.629 3.634 2.216 30 HE1 TYR 4 HE1 TYR 4 -14.567 0.079 4.991 31 HE2 TYR 4 HE2 TYR 4 -14.162 3.335 2.216 32 HH TYR 4 HH TYR 4 -12.549 1.436 2.691 33 H HIS 5 H HIS 5 -18.938 2.111 0.883 34 HA HIS 5 HA HIS 5 -17.664 -0.246 -0.427 35 1HB HIS 5 1HB HIS 5 -19.470 0.281 -1.796 36 2HB HIS 5 2HB HIS 5 -19.379 2.002 -1.422 37 HD1 HIS 5 HD1 HIS 5 -18.513 -0.360 -4.029 38 HD2 HIS 5 HD2 HIS 5 -16.863 3.180 -2.593 39 HE1 HIS 5 HE1 HIS 5 -16.915 0.467 -5.813 40 H LEU 6 H LEU 6 -15.705 0.072 -1.620 41 HA LEU 6 HA LEU 6 -14.457 2.720 -1.331 42 1HB LEU 6 1HB LEU 6 -12.580 2.012 -0.195 43 2HB LEU 6 2HB LEU 6 -13.779 0.924 0.499 44 HG LEU 6 HG LEU 6 -13.168 -0.607 -1.523 45 1HD1 LEU 6 1HD1 LEU 6 -11.179 1.557 -1.634 46 2HD1 LEU 6 2HD1 LEU 6 -10.473 -0.059 -1.652 47 3HD1 LEU 6 3HD1 LEU 6 -11.657 0.400 -2.876 48 1HD2 LEU 6 1HD2 LEU 6 -11.900 -0.189 1.094 49 2HD2 LEU 6 2HD2 LEU 6 -12.516 -1.673 0.368 50 3HD2 LEU 6 3HD2 LEU 6 -10.904 -1.094 -0.046 51 H ASP 7 H ASP 7 -12.478 2.896 -2.784 52 HA ASP 7 HA ASP 7 -12.337 0.904 -4.944 53 1HB ASP 7 1HB ASP 7 -14.226 2.752 -5.341 54 2HB ASP 7 2HB ASP 7 -12.836 3.697 -5.876 55 H VAL 8 H VAL 8 -10.151 0.837 -4.017 56 HA VAL 8 HA VAL 8 -8.502 3.245 -4.621 57 HB VAL 8 HB VAL 8 -8.205 2.490 -2.356 58 1HG1 VAL 8 1HG1 VAL 8 -8.599 -0.101 -3.576 59 2HG1 VAL 8 2HG1 VAL 8 -7.127 -0.108 -2.606 60 3HG1 VAL 8 3HG1 VAL 8 -8.665 0.340 -1.870 61 1HG2 VAL 8 1HG2 VAL 8 -6.139 2.684 -4.177 62 2HG2 VAL 8 2HG2 VAL 8 -5.939 2.597 -2.426 63 3HG2 VAL 8 3HG2 VAL 8 -5.818 1.133 -3.401 64 H VAL 9 H VAL 9 -7.688 3.138 -6.668 65 HA VAL 9 HA VAL 9 -6.658 0.488 -7.602 66 HB VAL 9 HB VAL 9 -7.120 1.263 -9.900 67 1HG1 VAL 9 1HG1 VAL 9 -8.925 0.325 -8.093 68 2HG1 VAL 9 2HG1 VAL 9 -9.712 1.826 -8.582 69 3HG1 VAL 9 3HG1 VAL 9 -9.305 0.608 -9.792 70 1HG2 VAL 9 1HG2 VAL 9 -6.923 3.756 -9.027 71 2HG2 VAL 9 2HG2 VAL 9 -7.965 3.375 -10.397 72 3HG2 VAL 9 3HG2 VAL 9 -8.663 3.585 -8.791 73 H SER 10 H SER 10 -5.140 1.250 -9.726 74 HA SER 10 HA SER 10 -3.317 3.400 -8.792 75 1HB SER 10 1HB SER 10 -1.365 1.987 -8.910 76 2HB SER 10 2HB SER 10 -2.535 1.177 -7.872 77 HG SER 10 HG SER 10 -1.485 0.404 -10.254 78 H ALA 11 H ALA 11 -1.297 3.040 -10.661 79 HA ALA 11 HA ALA 11 -2.194 4.290 -12.964 80 1HB ALA 11 1HB ALA 11 0.045 2.267 -12.670 81 2HB ALA 11 2HB ALA 11 -0.209 3.229 -14.127 82 3HB ALA 11 3HB ALA 11 0.176 4.025 -12.601 83 H GLU 12 H GLU 12 -1.229 0.877 -13.273 84 HA GLU 12 HA GLU 12 -3.837 0.300 -14.584 85 1HB GLU 12 1HB GLU 12 -2.324 -1.017 -16.309 86 2HB GLU 12 2HB GLU 12 -2.645 0.702 -16.541 87 1HG GLU 12 1HG GLU 12 -0.267 0.352 -16.813 88 2HG GLU 12 2HG GLU 12 -0.519 1.191 -15.282 89 H GLN 13 H GLN 13 -3.710 -0.710 -12.244 90 HA GLN 13 HA GLN 13 -2.995 -3.558 -12.632 91 1HB GLN 13 1HB GLN 13 -1.597 -1.700 -10.833 92 2HB GLN 13 2HB GLN 13 -2.193 -3.149 -10.023 93 1HG GLN 13 1HG GLN 13 -0.439 -3.069 -12.495 94 2HG GLN 13 2HG GLN 13 0.055 -3.572 -10.877 95 1HE2 GLN 13 2HE2 GLN 13 -1.927 -5.261 -10.029 96 2HE2 GLN 13 1HE2 GLN 13 -2.124 -6.564 -11.100 97 H GLN 14 H GLN 14 -3.852 -4.839 -10.634 98 HA GLN 14 HA GLN 14 -6.589 -3.847 -10.102 99 1HB GLN 14 1HB GLN 14 -6.103 -6.222 -10.871 100 2HB GLN 14 2HB GLN 14 -5.386 -6.503 -9.284 101 1HG GLN 14 1HG GLN 14 -8.037 -5.227 -9.186 102 2HG GLN 14 2HG GLN 14 -8.049 -6.850 -9.875 103 1HE2 GLN 14 2HE2 GLN 14 -8.744 -5.570 -7.049 104 2HE2 GLN 14 1HE2 GLN 14 -8.033 -6.673 -5.972 105 H MET 15 H MET 15 -7.428 -3.697 -7.939 106 HA MET 15 HA MET 15 -5.560 -3.969 -5.680 107 1HB MET 15 1HB MET 15 -6.567 -1.312 -6.692 108 2HB MET 15 2HB MET 15 -6.160 -1.539 -4.990 109 1HG MET 15 1HG MET 15 -3.978 -2.654 -6.190 110 2HG MET 15 2HG MET 15 -4.382 -1.388 -7.349 111 1HE MET 15 1HE MET 15 -1.885 -1.622 -6.160 112 2HE MET 15 2HE MET 15 -1.379 -0.315 -5.091 113 3HE MET 15 3HE MET 15 -1.967 -1.827 -4.404 114 H PHE 16 H PHE 16 -8.493 -1.978 -6.073 115 HA PHE 16 HA PHE 16 -10.248 -3.969 -4.917 116 1HB PHE 16 1HB PHE 16 -8.811 -3.156 -2.943 117 2HB PHE 16 2HB PHE 16 -9.658 -1.618 -3.113 118 HD1 PHE 16 HD1 PHE 16 -12.070 -1.452 -2.682 119 HD2 PHE 16 HD2 PHE 16 -9.978 -5.160 -2.186 120 HE1 PHE 16 HE1 PHE 16 -13.999 -2.346 -1.453 121 HE2 PHE 16 HE2 PHE 16 -11.917 -6.080 -0.949 122 HZ PHE 16 HZ PHE 16 -13.931 -4.680 -0.582 123 H SER 17 H SER 17 -12.339 -3.414 -5.426 124 HA SER 17 HA SER 17 -13.224 -0.652 -5.590 125 1HB SER 17 1HB SER 17 -13.793 -0.865 -8.084 126 2HB SER 17 2HB SER 17 -12.101 -0.576 -7.687 127 HG SER 17 HG SER 17 -13.241 -2.673 -8.941 128 H GLY 18 H GLY 18 -15.014 -1.260 -4.372 129 1HA GLY 18 1HA GLY 18 -17.389 -2.055 -5.454 130 2HA GLY 18 2HA GLY 18 -16.612 -3.604 -5.119 131 H LEU 19 H LEU 19 -18.241 -4.070 -3.490 132 HA LEU 19 HA LEU 19 -18.743 -2.331 -1.259 133 1HB LEU 19 1HB LEU 19 -18.987 -5.354 -1.383 134 2HB LEU 19 2HB LEU 19 -19.772 -4.292 -0.214 135 HG LEU 19 HG LEU 19 -20.309 -4.544 -3.173 136 1HD1 LEU 19 1HD1 LEU 19 -21.555 -5.928 -1.478 137 2HD1 LEU 19 2HD1 LEU 19 -22.165 -4.428 -0.781 138 3HD1 LEU 19 3HD1 LEU 19 -22.590 -4.867 -2.435 139 1HD2 LEU 19 1HD2 LEU 19 -20.008 -2.124 -2.610 140 2HD2 LEU 19 2HD2 LEU 19 -21.672 -2.513 -3.048 141 3HD2 LEU 19 3HD2 LEU 19 -21.235 -2.294 -1.353 142 H VAL 20 H VAL 20 -18.010 -2.804 1.031 143 HA VAL 20 HA VAL 20 -15.692 -4.454 1.470 144 HB VAL 20 HB VAL 20 -14.168 -3.100 0.477 145 1HG1 VAL 20 1HG1 VAL 20 -16.305 -0.995 0.599 146 2HG1 VAL 20 2HG1 VAL 20 -14.674 -0.621 0.051 147 3HG1 VAL 20 3HG1 VAL 20 -15.647 -1.804 -0.818 148 1HG2 VAL 20 1HG2 VAL 20 -14.808 -1.452 2.924 149 2HG2 VAL 20 2HG2 VAL 20 -13.462 -2.571 2.679 150 3HG2 VAL 20 3HG2 VAL 20 -13.507 -1.035 1.811 151 H GLU 21 H GLU 21 -14.649 -3.828 3.656 152 HA GLU 21 HA GLU 21 -16.772 -2.702 5.440 153 1HB GLU 21 1HB GLU 21 -16.285 -5.236 5.588 154 2HB GLU 21 2HB GLU 21 -14.741 -4.767 6.302 155 1HG GLU 21 1HG GLU 21 -16.411 -3.212 7.760 156 2HG GLU 21 2HG GLU 21 -17.476 -4.580 7.434 157 H LYS 22 H LYS 22 -13.247 -3.273 5.133 158 HA LYS 22 HA LYS 22 -12.649 -0.564 5.879 159 1HB LYS 22 1HB LYS 22 -13.086 -2.419 8.032 160 2HB LYS 22 2HB LYS 22 -11.400 -1.895 8.031 161 1HG LYS 22 1HG LYS 22 -12.013 0.099 8.862 162 2HG LYS 22 2HG LYS 22 -13.031 0.367 7.447 163 1HD LYS 22 1HD LYS 22 -14.748 0.343 8.926 164 2HD LYS 22 2HD LYS 22 -14.543 -1.408 8.886 165 1HE LYS 22 1HE LYS 22 -12.610 -0.304 10.695 166 2HE LYS 22 2HE LYS 22 -14.201 0.334 11.111 167 1HZ LYS 22 1HZ LYS 22 -14.506 -2.370 10.515 168 2HZ LYS 22 2HZ LYS 22 -13.175 -2.243 11.561 169 3HZ LYS 22 3HZ LYS 22 -14.680 -1.608 12.025 170 H ILE 23 H ILE 23 -10.653 -0.075 5.179 171 HA ILE 23 HA ILE 23 -8.800 -2.336 4.511 172 HB ILE 23 HB ILE 23 -8.044 -1.115 2.671 173 1HG1 ILE 23 1HG1 ILE 23 -9.171 1.453 3.819 174 2HG1 ILE 23 2HG1 ILE 23 -7.502 0.943 4.068 175 1HG2 ILE 23 1HG2 ILE 23 -10.669 -1.505 2.797 176 2HG2 ILE 23 2HG2 ILE 23 -10.699 0.258 2.766 177 3HG2 ILE 23 3HG2 ILE 23 -9.942 -0.633 1.448 178 1HD1 ILE 23 1HD1 ILE 23 -8.085 0.686 1.287 179 2HD1 ILE 23 2HD1 ILE 23 -8.621 2.284 1.804 180 3HD1 ILE 23 3HD1 ILE 23 -6.948 1.789 2.061 181 H GLN 24 H GLN 24 -6.893 -2.398 5.683 182 HA GLN 24 HA GLN 24 -6.383 -0.115 7.525 183 1HB GLN 24 1HB GLN 24 -5.348 -2.966 7.479 184 2HB GLN 24 2HB GLN 24 -4.788 -1.743 8.622 185 1HG GLN 24 1HG GLN 24 -7.447 -1.455 8.956 186 2HG GLN 24 2HG GLN 24 -7.403 -3.157 8.492 187 1HE2 GLN 24 2HE2 GLN 24 -8.108 -3.454 10.864 188 2HE2 GLN 24 1HE2 GLN 24 -6.889 -3.518 12.043 189 H VAL 25 H VAL 25 -5.299 1.360 6.196 190 HA VAL 25 HA VAL 25 -2.903 0.383 4.735 191 HB VAL 25 HB VAL 25 -3.997 3.199 4.692 192 1HG1 VAL 25 1HG1 VAL 25 -1.787 1.897 3.512 193 2HG1 VAL 25 2HG1 VAL 25 -2.962 2.122 2.218 194 3HG1 VAL 25 3HG1 VAL 25 -2.394 3.511 3.143 195 1HG2 VAL 25 1HG2 VAL 25 -5.595 1.104 4.065 196 2HG2 VAL 25 2HG2 VAL 25 -5.659 2.642 3.209 197 3HG2 VAL 25 3HG2 VAL 25 -4.746 1.294 2.532 198 H THR 26 H THR 26 -0.847 1.373 5.095 199 HA THR 26 HA THR 26 -0.496 3.313 7.259 200 HB THR 26 HB THR 26 -0.784 1.165 8.500 201 HG1 THR 26 HG1 THR 26 1.938 1.733 8.670 202 1HG2 THR 26 1HG2 THR 26 0.294 -0.113 6.486 203 2HG2 THR 26 2HG2 THR 26 1.814 0.247 7.304 204 3HG2 THR 26 3HG2 THR 26 0.573 -0.700 8.125 205 H GLY 27 H GLY 27 1.501 4.345 7.010 206 1HA GLY 27 1HA GLY 27 3.239 3.278 4.822 207 2HA GLY 27 2HA GLY 27 3.065 4.994 5.192 208 H SER 28 H SER 28 5.518 4.791 5.293 209 HA SER 28 HA SER 28 6.963 3.321 7.174 210 1HB SER 28 1HB SER 28 7.770 5.112 5.451 211 2HB SER 28 2HB SER 28 7.550 6.251 6.777 212 HG SER 28 HG SER 28 9.114 5.268 7.898 213 H GLU 29 H GLU 29 5.924 6.697 7.779 214 HA GLU 29 HA GLU 29 6.240 6.454 10.629 215 1HB GLU 29 1HB GLU 29 6.022 8.577 9.031 216 2HB GLU 29 2HB GLU 29 4.320 8.435 9.470 217 1HG GLU 29 1HG GLU 29 4.711 8.904 11.701 218 2HG GLU 29 2HG GLU 29 6.352 8.261 11.656 219 H GLY 30 H GLY 30 3.841 5.345 8.478 220 1HA GLY 30 1HA GLY 30 2.194 3.744 9.430 221 2HA GLY 30 2HA GLY 30 2.008 4.855 10.788 222 H GLU 31 H GLU 31 -0.077 3.876 8.937 223 HA GLU 31 HA GLU 31 -1.106 6.523 8.168 224 1HB GLU 31 1HB GLU 31 -0.043 5.002 6.193 225 2HB GLU 31 2HB GLU 31 -1.718 4.448 6.174 226 1HG GLU 31 1HG GLU 31 -2.096 7.131 6.382 227 2HG GLU 31 2HG GLU 31 -0.598 7.094 5.453 228 H LEU 32 H LEU 32 -3.451 6.581 7.971 229 HA LEU 32 HA LEU 32 -4.723 4.702 9.823 230 1HB LEU 32 1HB LEU 32 -5.403 7.284 8.566 231 2HB LEU 32 2HB LEU 32 -6.779 6.189 8.765 232 HG LEU 32 HG LEU 32 -5.470 5.929 11.180 233 1HD1 LEU 32 1HD1 LEU 32 -4.748 8.504 9.957 234 2HD1 LEU 32 2HD1 LEU 32 -5.481 8.664 11.554 235 3HD1 LEU 32 3HD1 LEU 32 -4.034 7.677 11.343 236 1HD2 LEU 32 1HD2 LEU 32 -7.691 7.816 10.336 237 2HD2 LEU 32 2HD2 LEU 32 -7.869 6.172 10.948 238 3HD2 LEU 32 3HD2 LEU 32 -7.301 7.455 12.017 239 H GLY 33 H GLY 33 -7.022 3.951 9.089 240 1HA GLY 33 1HA GLY 33 -6.734 2.678 6.399 241 2HA GLY 33 2HA GLY 33 -7.592 1.935 7.754 242 H ILE 34 H ILE 34 -9.051 2.208 5.460 243 HA ILE 34 HA ILE 34 -10.601 4.720 5.820 244 HB ILE 34 HB ILE 34 -10.529 2.690 3.574 245 1HG1 ILE 34 1HG1 ILE 34 -8.780 4.450 3.642 246 2HG1 ILE 34 2HG1 ILE 34 -9.881 4.692 2.282 247 1HG2 ILE 34 1HG2 ILE 34 -12.889 3.520 4.177 248 2HG2 ILE 34 2HG2 ILE 34 -12.321 5.127 3.731 249 3HG2 ILE 34 3HG2 ILE 34 -12.353 3.838 2.528 250 1HD1 ILE 34 1HD1 ILE 34 -11.234 6.159 3.986 251 2HD1 ILE 34 2HD1 ILE 34 -9.701 6.226 4.863 252 3HD1 ILE 34 3HD1 ILE 34 -9.801 6.839 3.209 253 H TYR 35 H TYR 35 -12.764 4.669 6.359 254 HA TYR 35 HA TYR 35 -14.151 2.102 6.729 255 1HB TYR 35 1HB TYR 35 -14.586 2.878 9.200 256 2HB TYR 35 2HB TYR 35 -13.078 2.054 8.824 257 HD1 TYR 35 HD1 TYR 35 -10.994 3.490 8.329 258 HD2 TYR 35 HD2 TYR 35 -14.607 5.081 10.036 259 HE1 TYR 35 HE1 TYR 35 -9.747 5.471 9.133 260 HE2 TYR 35 HE2 TYR 35 -13.351 7.064 10.834 261 HH TYR 35 HH TYR 35 -11.318 8.272 10.344 262 HA PRO 36 HA PRO 36 -17.645 4.677 6.093 263 1HB PRO 36 1HB PRO 36 -19.498 3.732 7.907 264 2HB PRO 36 2HB PRO 36 -19.077 2.903 6.398 265 1HG PRO 36 1HG PRO 36 -18.231 2.264 9.198 266 2HG PRO 36 2HG PRO 36 -18.486 1.172 7.825 267 1HD PRO 36 1HD PRO 36 -15.989 2.006 8.725 268 2HD PRO 36 2HD PRO 36 -16.309 1.394 7.092 269 H GLY 37 H GLY 37 -16.474 6.545 6.919 270 1HA GLY 37 1HA GLY 37 -17.470 8.482 8.306 271 2HA GLY 37 2HA GLY 37 -17.248 7.387 9.673 272 H HIS 38 H HIS 38 -14.999 7.627 6.953 273 HA HIS 38 HA HIS 38 -12.792 8.101 8.796 274 1HB HIS 38 1HB HIS 38 -12.307 6.710 6.914 275 2HB HIS 38 2HB HIS 38 -12.992 7.876 5.783 276 HD1 HIS 38 HD1 HIS 38 -10.312 8.096 8.505 277 HD2 HIS 38 HD2 HIS 38 -10.927 9.191 4.531 278 HE1 HIS 38 HE1 HIS 38 -8.207 9.289 7.758 279 H ALA 39 H ALA 39 -15.097 10.146 7.727 280 HA ALA 39 HA ALA 39 -15.186 12.497 7.853 281 1HB ALA 39 1HB ALA 39 -12.815 11.871 9.204 282 2HB ALA 39 2HB ALA 39 -12.336 13.061 7.995 283 3HB ALA 39 3HB ALA 39 -13.607 13.445 9.154 284 HA PRO 40 HA PRO 40 -14.074 13.838 3.823 285 1HB PRO 40 1HB PRO 40 -13.519 16.505 4.191 286 2HB PRO 40 2HB PRO 40 -15.155 15.829 4.249 287 1HG PRO 40 1HG PRO 40 -13.424 16.754 6.495 288 2HG PRO 40 2HG PRO 40 -15.192 16.674 6.401 289 1HD PRO 40 1HD PRO 40 -13.517 14.828 7.745 290 2HD PRO 40 2HD PRO 40 -15.237 14.594 7.362 291 H LEU 41 H LEU 41 -11.988 12.492 4.018 292 HA LEU 41 HA LEU 41 -9.545 14.118 4.425 293 1HB LEU 41 1HB LEU 41 -10.224 11.353 4.734 294 2HB LEU 41 2HB LEU 41 -8.930 11.476 3.541 295 HG LEU 41 HG LEU 41 -7.952 11.302 5.770 296 1HD1 LEU 41 1HD1 LEU 41 -7.257 13.129 3.907 297 2HD1 LEU 41 2HD1 LEU 41 -7.606 14.211 5.255 298 3HD1 LEU 41 3HD1 LEU 41 -6.389 12.948 5.432 299 1HD2 LEU 41 1HD2 LEU 41 -10.200 12.770 6.544 300 2HD2 LEU 41 2HD2 LEU 41 -8.844 12.326 7.580 301 3HD2 LEU 41 3HD2 LEU 41 -8.858 13.893 6.770 302 H LEU 42 H LEU 42 -8.611 15.099 2.709 303 HA LEU 42 HA LEU 42 -8.787 13.788 0.046 304 1HB LEU 42 1HB LEU 42 -10.439 15.880 0.657 305 2HB LEU 42 2HB LEU 42 -9.042 16.732 -0.001 306 HG LEU 42 HG LEU 42 -10.105 14.331 -1.452 307 1HD1 LEU 42 1HD1 LEU 42 -11.868 16.275 -0.803 308 2HD1 LEU 42 2HD1 LEU 42 -11.147 17.003 -2.239 309 3HD1 LEU 42 3HD1 LEU 42 -11.916 15.420 -2.345 310 1HD2 LEU 42 1HD2 LEU 42 -7.967 15.477 -2.089 311 2HD2 LEU 42 2HD2 LEU 42 -9.178 15.513 -3.371 312 3HD2 LEU 42 3HD2 LEU 42 -8.891 16.949 -2.389 313 H THR 43 H THR 43 -6.510 13.317 0.790 314 HA THR 43 HA THR 43 -4.735 15.556 -0.048 315 HB THR 43 HB THR 43 -3.367 15.432 1.834 316 HG1 THR 43 HG1 THR 43 -4.396 12.828 2.004 317 1HG2 THR 43 1HG2 THR 43 -5.903 16.006 2.310 318 2HG2 THR 43 2HG2 THR 43 -5.842 14.514 3.247 319 3HG2 THR 43 3HG2 THR 43 -4.759 15.848 3.643 320 H ALA 44 H ALA 44 -2.401 13.835 0.726 321 HA ALA 44 HA ALA 44 -2.586 11.962 -1.590 322 1HB ALA 44 1HB ALA 44 -0.289 13.413 -0.282 323 2HB ALA 44 2HB ALA 44 -0.007 12.005 -1.306 324 3HB ALA 44 3HB ALA 44 -0.785 13.440 -1.974 325 H ILE 45 H ILE 45 -1.172 9.935 -1.284 326 HA ILE 45 HA ILE 45 -1.598 8.906 1.491 327 HB ILE 45 HB ILE 45 -1.168 6.675 -0.084 328 1HG1 ILE 45 1HG1 ILE 45 -1.338 8.252 -2.091 329 2HG1 ILE 45 2HG1 ILE 45 -2.452 6.886 -2.096 330 1HG2 ILE 45 1HG2 ILE 45 -3.666 8.088 0.845 331 2HG2 ILE 45 2HG2 ILE 45 -3.739 6.524 0.034 332 3HG2 ILE 45 3HG2 ILE 45 -2.870 6.687 1.560 333 1HD1 ILE 45 1HD1 ILE 45 -3.663 9.057 -0.662 334 2HD1 ILE 45 2HD1 ILE 45 -3.095 9.652 -2.222 335 3HD1 ILE 45 3HD1 ILE 45 -4.210 8.287 -2.151 336 H LYS 46 H LYS 46 0.036 7.052 1.997 337 HA LYS 46 HA LYS 46 2.740 7.963 1.093 338 1HB LYS 46 1HB LYS 46 1.653 7.175 3.753 339 2HB LYS 46 2HB LYS 46 3.303 6.675 3.386 340 1HG LYS 46 1HG LYS 46 3.930 8.750 4.019 341 2HG LYS 46 2HG LYS 46 3.216 9.310 2.507 342 1HD LYS 46 1HD LYS 46 1.236 9.991 3.534 343 2HD LYS 46 2HD LYS 46 1.451 8.893 4.899 344 1HE LYS 46 1HE LYS 46 3.684 10.517 5.066 345 2HE LYS 46 2HE LYS 46 2.427 11.637 4.542 346 1HZ LYS 46 1HZ LYS 46 1.274 10.036 6.472 347 2HZ LYS 46 2HZ LYS 46 2.804 10.440 7.081 348 3HZ LYS 46 3HZ LYS 46 1.722 11.667 6.626 349 HA PRO 47 HA PRO 47 3.596 3.882 -0.267 350 1HB PRO 47 1HB PRO 47 6.263 3.671 0.364 351 2HB PRO 47 2HB PRO 47 5.650 4.662 -0.971 352 1HG PRO 47 1HG PRO 47 6.681 5.530 1.689 353 2HG PRO 47 2HG PRO 47 6.658 6.412 0.153 354 1HD PRO 47 1HD PRO 47 4.860 6.789 2.307 355 2HD PRO 47 2HD PRO 47 4.658 7.412 0.656 356 H GLY 48 H GLY 48 2.823 2.091 0.813 357 1HA GLY 48 1HA GLY 48 4.321 0.863 2.943 358 2HA GLY 48 2HA GLY 48 2.879 1.649 3.587 359 H MET 49 H MET 49 1.972 -0.418 4.149 360 HA MET 49 HA MET 49 1.104 -2.048 1.792 361 1HB MET 49 1HB MET 49 0.833 -3.911 3.428 362 2HB MET 49 2HB MET 49 2.498 -3.335 3.340 363 1HG MET 49 1HG MET 49 2.365 -2.238 5.407 364 2HG MET 49 2HG MET 49 0.603 -2.161 5.361 365 1HE MET 49 1HE MET 49 -0.811 -4.229 5.088 366 2HE MET 49 2HE MET 49 -0.697 -5.500 6.302 367 3HE MET 49 3HE MET 49 -0.850 -3.809 6.798 368 H ILE 50 H ILE 50 -1.071 -3.302 2.496 369 HA ILE 50 HA ILE 50 -2.824 -1.575 4.122 370 HB ILE 50 HB ILE 50 -3.046 -0.476 2.001 371 1HG1 ILE 50 1HG1 ILE 50 -5.294 -2.468 2.443 372 2HG1 ILE 50 2HG1 ILE 50 -5.177 -0.843 3.121 373 1HG2 ILE 50 1HG2 ILE 50 -2.421 -3.053 0.990 374 2HG2 ILE 50 2HG2 ILE 50 -4.007 -2.627 0.345 375 3HG2 ILE 50 3HG2 ILE 50 -2.628 -1.561 0.072 376 1HD1 ILE 50 1HD1 ILE 50 -4.935 -0.965 0.183 377 2HD1 ILE 50 2HD1 ILE 50 -6.508 -1.452 0.810 378 3HD1 ILE 50 3HD1 ILE 50 -5.864 0.144 1.191 379 H ARG 51 H ARG 51 -4.812 -2.610 4.670 380 HA ARG 51 HA ARG 51 -4.945 -5.522 4.002 381 1HB ARG 51 1HB ARG 51 -4.410 -4.519 6.507 382 2HB ARG 51 2HB ARG 51 -6.168 -4.663 6.552 383 1HG ARG 51 1HG ARG 51 -5.545 -7.032 5.399 384 2HG ARG 51 2HG ARG 51 -4.101 -6.786 6.383 385 1HD ARG 51 1HD ARG 51 -6.354 -6.076 7.979 386 2HD ARG 51 2HD ARG 51 -6.700 -7.637 7.235 387 HE ARG 51 HE ARG 51 -4.064 -7.299 8.555 388 1HH1 ARG 51 1HH2 ARG 51 -6.975 -7.598 9.947 389 2HH1 ARG 51 2HH2 ARG 51 -6.802 -9.229 10.505 390 1HH2 ARG 51 1HH1 ARG 51 -3.948 -9.847 8.635 391 2HH2 ARG 51 2HH1 ARG 51 -5.088 -10.502 9.764 392 H ILE 52 H ILE 52 -7.396 -6.250 4.596 393 HA ILE 52 HA ILE 52 -9.389 -4.182 4.342 394 HB ILE 52 HB ILE 52 -8.033 -4.882 1.986 395 1HG1 ILE 52 1HG1 ILE 52 -10.714 -3.543 2.010 396 2HG1 ILE 52 2HG1 ILE 52 -9.316 -2.784 2.775 397 1HG2 ILE 52 1HG2 ILE 52 -10.860 -5.979 2.019 398 2HG2 ILE 52 2HG2 ILE 52 -9.941 -5.663 0.548 399 3HG2 ILE 52 3HG2 ILE 52 -9.382 -6.882 1.692 400 1HD1 ILE 52 1HD1 ILE 52 -8.510 -3.831 0.238 401 2HD1 ILE 52 2HD1 ILE 52 -9.957 -2.845 0.006 402 3HD1 ILE 52 3HD1 ILE 52 -8.526 -2.148 0.770 403 H VAL 53 H VAL 53 -11.419 -4.961 4.712 404 HA VAL 53 HA VAL 53 -11.791 -7.920 4.745 405 HB VAL 53 HB VAL 53 -12.628 -5.884 6.836 406 1HG1 VAL 53 1HG1 VAL 53 -14.446 -7.499 6.310 407 2HG1 VAL 53 2HG1 VAL 53 -13.334 -8.826 6.648 408 3HG1 VAL 53 3HG1 VAL 53 -13.805 -7.719 7.937 409 1HG2 VAL 53 1HG2 VAL 53 -10.356 -7.546 6.566 410 2HG2 VAL 53 2HG2 VAL 53 -10.849 -6.641 7.997 411 3HG2 VAL 53 3HG2 VAL 53 -11.374 -8.311 7.785 412 H LYS 54 H LYS 54 -13.310 -8.288 3.188 413 HA LYS 54 HA LYS 54 -15.036 -6.267 2.129 414 1HB LYS 54 1HB LYS 54 -14.898 -9.258 1.914 415 2HB LYS 54 2HB LYS 54 -16.314 -8.414 1.285 416 1HG LYS 54 1HG LYS 54 -13.596 -7.378 0.570 417 2HG LYS 54 2HG LYS 54 -14.199 -8.815 -0.258 418 1HD LYS 54 1HD LYS 54 -16.388 -7.354 -0.528 419 2HD LYS 54 2HD LYS 54 -15.262 -6.013 -0.312 420 1HE LYS 54 1HE LYS 54 -13.910 -6.777 -2.179 421 2HE LYS 54 2HE LYS 54 -14.892 -8.233 -2.342 422 1HZ LYS 54 1HZ LYS 54 -15.878 -5.451 -2.677 423 2HZ LYS 54 2HZ LYS 54 -15.523 -6.527 -3.945 424 3HZ LYS 54 3HZ LYS 54 -16.795 -6.867 -2.876 425 H GLN 55 H GLN 55 -17.200 -5.786 2.565 426 HA GLN 55 HA GLN 55 -18.227 -5.911 5.133 427 1HB GLN 55 1HB GLN 55 -19.376 -4.583 3.494 428 2HB GLN 55 2HB GLN 55 -19.703 -5.996 2.488 429 1HG GLN 55 1HG GLN 55 -21.488 -6.635 3.743 430 2HG GLN 55 2HG GLN 55 -20.698 -6.204 5.261 431 1HE2 GLN 55 2HE2 GLN 55 -21.079 -3.953 2.529 432 2HE2 GLN 55 1HE2 GLN 55 -22.150 -2.904 3.325 433 H HIS 56 H HIS 56 -18.162 -8.464 2.742 434 HA HIS 56 HA HIS 56 -18.549 -10.544 4.635 435 1HB HIS 56 1HB HIS 56 -20.893 -9.426 4.552 436 2HB HIS 56 2HB HIS 56 -21.029 -10.174 2.959 437 HD1 HIS 56 HD1 HIS 56 -20.876 -12.826 2.878 438 HD2 HIS 56 HD2 HIS 56 -21.182 -11.201 6.707 439 HE1 HIS 56 HE1 HIS 56 -21.484 -14.739 4.422 440 H GLY 57 H GLY 57 -16.739 -10.322 2.651 441 1HA GLY 57 1HA GLY 57 -17.528 -12.529 0.837 442 2HA GLY 57 2HA GLY 57 -16.951 -11.038 0.091 443 H HIS 58 H HIS 58 -14.767 -10.794 -0.137 444 HA HIS 58 HA HIS 58 -13.041 -12.834 1.194 445 1HB HIS 58 1HB HIS 58 -13.198 -12.393 -1.429 446 2HB HIS 58 2HB HIS 58 -12.042 -11.118 -1.043 447 HD1 HIS 58 HD1 HIS 58 -9.659 -11.814 -0.588 448 HD2 HIS 58 HD2 HIS 58 -12.266 -15.066 -0.637 449 HE1 HIS 58 HE1 HIS 58 -8.215 -13.891 -0.465 450 H GLU 59 H GLU 59 -10.723 -11.944 1.586 451 HA GLU 59 HA GLU 59 -10.583 -9.080 2.234 452 1HB GLU 59 1HB GLU 59 -10.007 -9.580 4.646 453 2HB GLU 59 2HB GLU 59 -11.700 -9.851 4.232 454 1HG GLU 59 1HG GLU 59 -9.957 -12.189 3.796 455 2HG GLU 59 2HG GLU 59 -10.101 -11.695 5.484 456 H GLU 60 H GLU 60 -8.443 -8.410 2.140 457 HA GLU 60 HA GLU 60 -6.247 -10.235 2.711 458 1HB GLU 60 1HB GLU 60 -7.153 -9.785 -0.092 459 2HB GLU 60 2HB GLU 60 -5.414 -9.736 0.200 460 1HG GLU 60 1HG GLU 60 -6.162 -11.942 1.657 461 2HG GLU 60 2HG GLU 60 -7.264 -12.026 0.283 462 H PHE 61 H PHE 61 -4.147 -9.024 1.576 463 HA PHE 61 HA PHE 61 -4.476 -6.123 2.228 464 1HB PHE 61 1HB PHE 61 -1.959 -6.408 2.928 465 2HB PHE 61 2HB PHE 61 -3.232 -6.886 4.053 466 HD1 PHE 61 HD1 PHE 61 -1.078 -8.232 1.307 467 HD2 PHE 61 HD2 PHE 61 -3.301 -9.082 4.882 468 HE1 PHE 61 HE1 PHE 61 -0.205 -10.555 1.297 469 HE2 PHE 61 HE2 PHE 61 -2.426 -11.404 4.874 470 HZ PHE 61 HZ PHE 61 -0.880 -12.140 3.080 471 H ILE 62 H ILE 62 -3.350 -4.692 0.885 472 HA ILE 62 HA ILE 62 -1.991 -5.953 -1.463 473 HB ILE 62 HB ILE 62 -3.090 -3.177 -1.625 474 1HG1 ILE 62 1HG1 ILE 62 -4.909 -4.468 -0.543 475 2HG1 ILE 62 2HG1 ILE 62 -5.324 -4.041 -2.203 476 1HG2 ILE 62 1HG2 ILE 62 -1.803 -4.575 -3.422 477 2HG2 ILE 62 2HG2 ILE 62 -3.347 -5.401 -3.637 478 3HG2 ILE 62 3HG2 ILE 62 -3.230 -3.663 -3.915 479 1HD1 ILE 62 1HD1 ILE 62 -3.900 -6.551 -2.171 480 2HD1 ILE 62 2HD1 ILE 62 -5.273 -6.629 -1.066 481 3HD1 ILE 62 3HD1 ILE 62 -5.527 -6.211 -2.760 482 H TYR 63 H TYR 63 -1.186 -3.171 -2.286 483 HA TYR 63 HA TYR 63 0.431 -2.001 -0.233 484 1HB TYR 63 1HB TYR 63 1.863 -3.868 -0.225 485 2HB TYR 63 2HB TYR 63 1.692 -4.126 -1.959 486 HD1 TYR 63 HD1 TYR 63 2.696 -2.417 -3.548 487 HD2 TYR 63 HD2 TYR 63 3.622 -2.515 0.642 488 HE1 TYR 63 HE1 TYR 63 4.731 -1.073 -3.974 489 HE2 TYR 63 HE2 TYR 63 5.662 -1.164 0.222 490 HH TYR 63 HH TYR 63 7.219 -0.774 -1.814 491 H LEU 64 H LEU 64 0.911 0.029 -0.947 492 HA LEU 64 HA LEU 64 1.070 0.459 -3.899 493 1HB LEU 64 1HB LEU 64 -0.219 2.537 -3.634 494 2HB LEU 64 2HB LEU 64 -1.159 1.153 -3.076 495 HG LEU 64 HG LEU 64 0.541 2.437 -1.019 496 1HD1 LEU 64 1HD1 LEU 64 -0.538 4.287 -2.541 497 2HD1 LEU 64 2HD1 LEU 64 -2.033 3.816 -1.730 498 3HD1 LEU 64 3HD1 LEU 64 -0.671 4.421 -0.787 499 1HD2 LEU 64 1HD2 LEU 64 -1.046 0.581 -0.566 500 2HD2 LEU 64 2HD2 LEU 64 -1.471 2.035 0.338 501 3HD2 LEU 64 3HD2 LEU 64 -2.376 1.601 -1.113 502 H SER 65 H SER 65 1.898 2.865 -4.236 503 HA SER 65 HA SER 65 4.261 3.183 -2.434 504 1HB SER 65 1HB SER 65 4.542 2.730 -4.965 505 2HB SER 65 2HB SER 65 3.969 4.379 -5.192 506 HG SER 65 HG SER 65 6.098 4.648 -4.974 507 H GLY 66 H GLY 66 1.969 5.118 -4.385 508 1HA GLY 66 1HA GLY 66 1.514 6.963 -2.193 509 2HA GLY 66 2HA GLY 66 2.549 7.665 -3.439 510 H GLY 67 H GLY 67 0.832 9.198 -3.930 511 1HA GLY 67 1HA GLY 67 -0.587 9.287 -6.069 512 2HA GLY 67 2HA GLY 67 -1.498 7.965 -5.340 513 H ILE 68 H ILE 68 -3.384 9.409 -5.470 514 HA ILE 68 HA ILE 68 -3.418 11.357 -3.201 515 HB ILE 68 HB ILE 68 -3.438 12.439 -5.490 516 1HG1 ILE 68 1HG1 ILE 68 -6.079 12.890 -4.109 517 2HG1 ILE 68 2HG1 ILE 68 -4.569 13.302 -3.297 518 1HG2 ILE 68 1HG2 ILE 68 -4.901 10.516 -6.415 519 2HG2 ILE 68 2HG2 ILE 68 -6.256 11.376 -5.684 520 3HG2 ILE 68 3HG2 ILE 68 -5.289 12.155 -6.936 521 1HD1 ILE 68 1HD1 ILE 68 -4.585 14.251 -6.048 522 2HD1 ILE 68 2HD1 ILE 68 -5.948 14.898 -5.135 523 3HD1 ILE 68 3HD1 ILE 68 -4.301 15.152 -4.559 524 H LEU 69 H LEU 69 -4.933 10.826 -1.701 525 HA LEU 69 HA LEU 69 -6.995 8.829 -2.441 526 1HB LEU 69 1HB LEU 69 -5.858 8.084 -0.523 527 2HB LEU 69 2HB LEU 69 -5.741 9.707 0.153 528 HG LEU 69 HG LEU 69 -8.487 8.638 -0.274 529 1HD1 LEU 69 1HD1 LEU 69 -6.462 7.443 1.579 530 2HD1 LEU 69 2HD1 LEU 69 -8.116 7.632 2.161 531 3HD1 LEU 69 3HD1 LEU 69 -7.793 6.664 0.722 532 1HD2 LEU 69 1HD2 LEU 69 -7.315 10.822 0.987 533 2HD2 LEU 69 2HD2 LEU 69 -8.978 10.279 1.210 534 3HD2 LEU 69 3HD2 LEU 69 -7.720 9.747 2.326 535 H GLU 70 H GLU 70 -9.192 9.254 -2.158 536 HA GLU 70 HA GLU 70 -9.977 11.943 -1.159 537 1HB GLU 70 1HB GLU 70 -9.794 12.198 -3.592 538 2HB GLU 70 2HB GLU 70 -10.809 10.775 -3.836 539 1HG GLU 70 1HG GLU 70 -12.584 12.009 -2.443 540 2HG GLU 70 2HG GLU 70 -11.598 13.452 -2.678 541 H VAL 71 H VAL 71 -11.837 11.815 0.070 542 HA VAL 71 HA VAL 71 -13.137 9.144 0.213 543 HB VAL 71 HB VAL 71 -12.312 10.077 2.328 544 1HG1 VAL 71 1HG1 VAL 71 -14.007 12.413 1.461 545 2HG1 VAL 71 2HG1 VAL 71 -13.669 12.135 3.171 546 3HG1 VAL 71 3HG1 VAL 71 -12.341 12.411 2.043 547 1HG2 VAL 71 1HG2 VAL 71 -15.335 10.075 2.054 548 2HG2 VAL 71 2HG2 VAL 71 -14.316 8.689 2.441 549 3HG2 VAL 71 3HG2 VAL 71 -14.475 10.015 3.592 550 H GLN 72 H GLN 72 -15.468 9.011 0.278 551 HA GLN 72 HA GLN 72 -16.887 11.360 -0.890 552 1HB GLN 72 1HB GLN 72 -17.771 8.653 -1.760 553 2HB GLN 72 2HB GLN 72 -17.728 10.166 -2.663 554 1HG GLN 72 1HG GLN 72 -15.046 9.663 -2.229 555 2HG GLN 72 2HG GLN 72 -15.707 8.048 -2.488 556 1HE2 GLN 72 2HE2 GLN 72 -14.114 10.134 -4.259 557 2HE2 GLN 72 1HE2 GLN 72 -14.964 10.087 -5.728 558 HA PRO 73 HA PRO 73 -20.110 10.349 1.920 559 1HB PRO 73 1HB PRO 73 -22.408 10.363 0.412 560 2HB PRO 73 2HB PRO 73 -21.507 11.827 0.844 561 1HG PRO 73 1HG PRO 73 -21.677 10.441 -1.783 562 2HG PRO 73 2HG PRO 73 -21.286 12.132 -1.430 563 1HD PRO 73 1HD PRO 73 -19.442 10.063 -2.077 564 2HD PRO 73 2HD PRO 73 -19.038 11.697 -1.509 565 H GLY 74 H GLY 74 -19.575 8.158 2.493 566 1HA GLY 74 1HA GLY 74 -20.446 5.977 2.924 567 2HA GLY 74 2HA GLY 74 -21.558 6.180 1.569 568 H ASN 75 H ASN 75 -18.985 7.174 0.063 569 HA ASN 75 HA ASN 75 -17.901 4.439 -0.483 570 1HB ASN 75 1HB ASN 75 -18.379 6.594 -2.561 571 2HB ASN 75 2HB ASN 75 -17.865 4.932 -2.851 572 1HD2 ASN 75 2HD2 ASN 75 -20.624 6.863 -1.611 573 2HD2 ASN 75 1HD2 ASN 75 -21.800 5.687 -1.949 574 H VAL 76 H VAL 76 -15.696 4.492 -1.434 575 HA VAL 76 HA VAL 76 -14.221 7.022 -0.870 576 HB VAL 76 HB VAL 76 -13.650 4.252 0.188 577 1HG1 VAL 76 1HG1 VAL 76 -11.725 6.435 -0.521 578 2HG1 VAL 76 2HG1 VAL 76 -11.437 5.504 0.947 579 3HG1 VAL 76 3HG1 VAL 76 -11.517 4.687 -0.614 580 1HG2 VAL 76 1HG2 VAL 76 -14.073 7.014 1.282 581 2HG2 VAL 76 2HG2 VAL 76 -14.757 5.482 1.826 582 3HG2 VAL 76 3HG2 VAL 76 -13.079 5.879 2.195 583 H THR 77 H THR 77 -12.252 7.229 -2.137 584 HA THR 77 HA THR 77 -11.617 5.152 -4.106 585 HB THR 77 HB THR 77 -12.475 7.834 -5.189 586 HG1 THR 77 HG1 THR 77 -14.437 6.674 -5.738 587 1HG2 THR 77 1HG2 THR 77 -11.287 5.462 -6.246 588 2HG2 THR 77 2HG2 THR 77 -12.910 5.610 -6.921 589 3HG2 THR 77 3HG2 THR 77 -11.753 6.928 -7.110 590 H VAL 78 H VAL 78 -9.457 5.237 -4.434 591 HA VAL 78 HA VAL 78 -8.073 7.866 -4.344 592 HB VAL 78 HB VAL 78 -7.643 7.149 -2.131 593 1HG1 VAL 78 1HG1 VAL 78 -8.618 4.826 -2.639 594 2HG1 VAL 78 2HG1 VAL 78 -6.981 4.367 -3.110 595 3HG1 VAL 78 3HG1 VAL 78 -7.308 4.892 -1.459 596 1HG2 VAL 78 1HG2 VAL 78 -5.573 7.568 -3.630 597 2HG2 VAL 78 2HG2 VAL 78 -5.307 6.756 -2.088 598 3HG2 VAL 78 3HG2 VAL 78 -5.350 5.820 -3.582 599 H LEU 79 H LEU 79 -6.756 8.018 -6.103 600 HA LEU 79 HA LEU 79 -6.100 5.502 -7.559 601 1HB LEU 79 1HB LEU 79 -5.776 8.330 -8.580 602 2HB LEU 79 2HB LEU 79 -5.844 6.840 -9.521 603 HG LEU 79 HG LEU 79 -8.210 6.830 -8.031 604 1HD1 LEU 79 1HD1 LEU 79 -7.661 9.270 -7.568 605 2HD1 LEU 79 2HD1 LEU 79 -7.844 9.556 -9.299 606 3HD1 LEU 79 3HD1 LEU 79 -9.216 8.986 -8.348 607 1HD2 LEU 79 1HD2 LEU 79 -7.657 6.204 -10.477 608 2HD2 LEU 79 2HD2 LEU 79 -9.248 6.901 -10.167 609 3HD2 LEU 79 3HD2 LEU 79 -7.965 7.900 -10.847 610 H ALA 80 H ALA 80 -4.012 4.817 -7.671 611 HA ALA 80 HA ALA 80 -1.902 6.696 -6.681 612 1HB ALA 80 1HB ALA 80 -2.337 4.724 -5.198 613 2HB ALA 80 2HB ALA 80 -1.904 3.665 -6.539 614 3HB ALA 80 3HB ALA 80 -0.697 4.748 -5.847 615 H ASP 81 H ASP 81 0.239 4.923 -7.468 616 HA ASP 81 HA ASP 81 -0.076 4.657 -10.401 617 1HB ASP 81 1HB ASP 81 0.885 6.999 -9.577 618 2HB ASP 81 2HB ASP 81 2.378 6.069 -9.430 619 H THR 82 H THR 82 0.614 3.116 -7.734 620 HA THR 82 HA THR 82 2.616 1.384 -9.040 621 HB THR 82 HB THR 82 3.031 2.842 -6.428 622 HG1 THR 82 HG1 THR 82 4.233 3.841 -7.830 623 1HG2 THR 82 1HG2 THR 82 3.672 0.078 -7.038 624 2HG2 THR 82 2HG2 THR 82 5.132 1.021 -6.743 625 3HG2 THR 82 3HG2 THR 82 3.860 0.959 -5.523 626 H ALA 83 H ALA 83 2.209 -0.752 -8.571 627 HA ALA 83 HA ALA 83 0.592 -1.419 -6.176 628 1HB ALA 83 1HB ALA 83 -0.172 -2.220 -9.002 629 2HB ALA 83 2HB ALA 83 -0.951 -2.807 -7.532 630 3HB ALA 83 3HB ALA 83 -1.062 -1.102 -7.968 631 H ILE 84 H ILE 84 2.037 -2.790 -5.220 632 HA ILE 84 HA ILE 84 3.359 -4.840 -6.933 633 HB ILE 84 HB ILE 84 4.129 -3.760 -4.210 634 1HG1 ILE 84 1HG1 ILE 84 5.532 -3.512 -6.887 635 2HG1 ILE 84 2HG1 ILE 84 4.488 -2.260 -6.211 636 1HG2 ILE 84 1HG2 ILE 84 5.209 -5.972 -5.936 637 2HG2 ILE 84 2HG2 ILE 84 6.277 -5.087 -4.846 638 3HG2 ILE 84 3HG2 ILE 84 4.898 -5.973 -4.200 639 1HD1 ILE 84 1HD1 ILE 84 6.255 -2.983 -4.136 640 2HD1 ILE 84 2HD1 ILE 84 7.248 -2.847 -5.588 641 3HD1 ILE 84 3HD1 ILE 84 6.260 -1.483 -5.064 642 H ARG 85 H ARG 85 1.333 -4.332 -4.113 643 HA ARG 85 HA ARG 85 0.041 -5.845 -2.871 644 1HB ARG 85 1HB ARG 85 0.713 -7.829 -5.061 645 2HB ARG 85 2HB ARG 85 -0.665 -7.880 -3.961 646 1HG ARG 85 1HG ARG 85 -1.491 -5.744 -4.931 647 2HG ARG 85 2HG ARG 85 -0.148 -5.769 -6.075 648 1HD ARG 85 1HD ARG 85 -1.415 -7.034 -7.442 649 2HD ARG 85 2HD ARG 85 -1.332 -8.322 -6.240 650 HE ARG 85 HE ARG 85 -3.520 -6.287 -6.364 651 1HH1 ARG 85 1HH1 ARG 85 -2.900 -9.529 -6.715 652 2HH1 ARG 85 2HH1 ARG 85 -4.086 -10.077 -5.577 653 1HH2 ARG 85 1HH2 ARG 85 -4.763 -6.904 -4.354 654 2HH2 ARG 85 2HH2 ARG 85 -5.140 -8.591 -4.240 655 H GLY 86 H GLY 86 0.309 -7.711 -1.430 656 1HA GLY 86 1HA GLY 86 3.021 -8.031 -0.528 657 2HA GLY 86 2HA GLY 86 1.637 -8.961 0.052 658 H GLN 87 H GLN 87 1.312 -9.492 -3.067 659 HA GLN 87 HA GLN 87 2.852 -12.015 -2.957 660 1HB GLN 87 1HB GLN 87 1.139 -11.221 -5.291 661 2HB GLN 87 2HB GLN 87 1.412 -12.822 -4.602 662 1HG GLN 87 1HG GLN 87 0.103 -12.192 -2.608 663 2HG GLN 87 2HG GLN 87 -0.177 -10.592 -3.297 664 1HE2 GLN 87 2HE2 GLN 87 -0.188 -13.668 -5.122 665 2HE2 GLN 87 1HE2 GLN 87 -1.825 -13.583 -5.565 666 H ASP 88 H ASP 88 2.439 -9.247 -5.184 667 HA ASP 88 HA ASP 88 3.833 -8.537 -6.952 668 1HB ASP 88 1HB ASP 88 5.006 -7.702 -4.933 669 2HB ASP 88 2HB ASP 88 5.909 -9.213 -4.846 670 H LEU 89 H LEU 89 3.079 -11.159 -7.394 671 HA LEU 89 HA LEU 89 3.728 -13.149 -8.457 672 1HB LEU 89 1HB LEU 89 5.455 -10.973 -9.559 673 2HB LEU 89 2HB LEU 89 5.838 -12.636 -9.992 674 HG LEU 89 HG LEU 89 3.036 -11.546 -10.229 675 1HD1 LEU 89 1HD1 LEU 89 5.400 -11.013 -11.897 676 2HD1 LEU 89 2HD1 LEU 89 4.026 -11.655 -12.798 677 3HD1 LEU 89 3HD1 LEU 89 3.847 -10.178 -11.851 678 1HD2 LEU 89 1HD2 LEU 89 4.562 -13.942 -11.247 679 2HD2 LEU 89 2HD2 LEU 89 3.041 -13.907 -10.357 680 3HD2 LEU 89 3HD2 LEU 89 3.085 -13.404 -12.046 681 H ASP 90 H ASP 90 7.049 -12.030 -8.432 682 HA ASP 90 HA ASP 90 8.120 -14.405 -7.367 683 1HB ASP 90 1HB ASP 90 9.369 -11.701 -6.866 684 2HB ASP 90 2HB ASP 90 10.174 -13.242 -7.170 685 H GLU 91 H GLU 91 9.674 -13.849 -5.173 686 HA GLU 91 HA GLU 91 7.968 -12.758 -3.035 687 1HB GLU 91 1HB GLU 91 8.463 -15.680 -3.448 688 2HB GLU 91 2HB GLU 91 8.453 -15.066 -1.794 689 1HG GLU 91 1HG GLU 91 6.242 -13.831 -2.824 690 2HG GLU 91 2HG GLU 91 6.222 -15.359 -3.707 691 H ALA 92 H ALA 92 10.691 -15.073 -3.168 692 HA ALA 92 HA ALA 92 12.134 -13.683 -1.087 693 1HB ALA 92 1HB ALA 92 12.407 -16.109 -1.550 694 2HB ALA 92 2HB ALA 92 13.150 -15.712 -3.100 695 3HB ALA 92 3HB ALA 92 13.948 -15.251 -1.596 696 H ARG 93 H ARG 93 11.863 -13.220 -4.491 697 HA ARG 93 HA ARG 93 14.442 -12.047 -4.987 698 1HB ARG 93 1HB ARG 93 12.649 -12.814 -6.693 699 2HB ARG 93 2HB ARG 93 11.916 -11.233 -6.420 700 1HG ARG 93 1HG ARG 93 13.342 -10.474 -8.005 701 2HG ARG 93 2HG ARG 93 14.592 -10.619 -6.768 702 1HD ARG 93 1HD ARG 93 15.601 -12.054 -8.202 703 2HD ARG 93 2HD ARG 93 14.370 -13.210 -7.694 704 HE ARG 93 HE ARG 93 13.014 -12.348 -9.678 705 1HH1 ARG 93 1HH1 ARG 93 14.869 -10.162 -10.494 706 2HH1 ARG 93 2HH1 ARG 93 15.786 -10.906 -11.760 707 1HH2 ARG 93 1HH2 ARG 93 14.878 -14.136 -10.882 708 2HH2 ARG 93 2HH2 ARG 93 15.794 -13.156 -11.977 709 H ALA 94 H ALA 94 11.578 -10.889 -3.407 710 HA ALA 94 HA ALA 94 12.419 -8.063 -3.636 711 1HB ALA 94 1HB ALA 94 10.018 -9.502 -2.553 712 2HB ALA 94 2HB ALA 94 10.365 -7.869 -1.983 713 3HB ALA 94 3HB ALA 94 10.093 -8.165 -3.701 714 H MET 95 H MET 95 12.764 -10.748 -1.511 715 HA MET 95 HA MET 95 13.250 -9.191 0.905 716 1HB MET 95 1HB MET 95 13.148 -12.011 0.132 717 2HB MET 95 2HB MET 95 14.455 -11.667 1.263 718 1HG MET 95 1HG MET 95 12.824 -10.499 2.744 719 2HG MET 95 2HG MET 95 11.531 -10.962 1.637 720 1HE MET 95 1HE MET 95 12.242 -11.170 4.546 721 2HE MET 95 2HE MET 95 11.486 -12.676 5.062 722 3HE MET 95 3HE MET 95 13.249 -12.524 5.052 723 H GLU 96 H GLU 96 15.178 -10.420 -1.758 724 HA GLU 96 HA GLU 96 17.728 -9.936 -0.403 725 1HB GLU 96 1HB GLU 96 17.555 -11.687 -2.118 726 2HB GLU 96 2HB GLU 96 17.093 -10.482 -3.320 727 1HG GLU 96 1HG GLU 96 19.226 -9.687 -3.541 728 2HG GLU 96 2HG GLU 96 19.599 -9.926 -1.832 729 H ALA 97 H ALA 97 15.431 -7.898 -1.672 730 HA ALA 97 HA ALA 97 17.268 -5.998 -2.957 731 1HB ALA 97 1HB ALA 97 14.325 -5.885 -2.248 732 2HB ALA 97 2HB ALA 97 15.186 -4.540 -2.997 733 3HB ALA 97 3HB ALA 97 15.037 -6.077 -3.850 734 H LYS 98 H LYS 98 15.582 -6.348 0.134 735 HA LYS 98 HA LYS 98 16.108 -3.772 1.201 736 1HB LYS 98 1HB LYS 98 14.645 -5.590 2.209 737 2HB LYS 98 2HB LYS 98 16.128 -6.353 2.784 738 1HG LYS 98 1HG LYS 98 16.711 -4.168 3.911 739 2HG LYS 98 2HG LYS 98 15.093 -3.599 3.497 740 1HD LYS 98 1HD LYS 98 14.183 -5.655 4.674 741 2HD LYS 98 2HD LYS 98 15.819 -5.947 5.265 742 1HE LYS 98 1HE LYS 98 15.743 -4.200 6.736 743 2HE LYS 98 2HE LYS 98 14.793 -3.192 5.645 744 1HZ LYS 98 1HZ LYS 98 13.760 -5.500 7.207 745 2HZ LYS 98 2HZ LYS 98 13.509 -3.860 7.582 746 3HZ LYS 98 3HZ LYS 98 12.845 -4.516 6.165 747 H ARG 99 H ARG 99 18.145 -6.667 1.046 748 HA ARG 99 HA ARG 99 20.249 -5.518 2.692 749 1HB ARG 99 1HB ARG 99 19.984 -7.954 2.493 750 2HB ARG 99 2HB ARG 99 20.300 -7.857 0.761 751 1HG ARG 99 1HG ARG 99 22.555 -7.351 1.062 752 2HG ARG 99 2HG ARG 99 22.298 -6.706 2.684 753 1HD ARG 99 1HD ARG 99 22.224 -8.818 3.660 754 2HD ARG 99 2HD ARG 99 21.724 -9.604 2.162 755 HE ARG 99 HE ARG 99 24.051 -9.423 1.376 756 1HH1 ARG 99 1HH2 ARG 99 24.058 -10.829 4.109 757 2HH1 ARG 99 2HH2 ARG 99 25.405 -10.049 4.868 758 1HH2 ARG 99 1HH1 ARG 99 25.524 -7.443 2.582 759 2HH2 ARG 99 2HH1 ARG 99 26.235 -8.130 4.004 760 H LYS 100 H LYS 100 19.518 -5.622 -0.754 761 HA LYS 100 HA LYS 100 22.136 -4.432 -1.427 762 1HB LYS 100 1HB LYS 100 19.785 -5.438 -3.011 763 2HB LYS 100 2HB LYS 100 20.989 -4.402 -3.777 764 1HG LYS 100 1HG LYS 100 22.644 -6.138 -2.553 765 2HG LYS 100 2HG LYS 100 21.251 -7.194 -2.782 766 1HD LYS 100 1HD LYS 100 21.253 -6.825 -5.155 767 2HD LYS 100 2HD LYS 100 22.436 -5.525 -5.011 768 1HE LYS 100 1HE LYS 100 23.687 -7.668 -3.763 769 2HE LYS 100 2HE LYS 100 22.864 -8.415 -5.132 770 1HZ LYS 100 1HZ LYS 100 23.902 -6.166 -6.206 771 2HZ LYS 100 2HZ LYS 100 25.106 -6.615 -5.097 772 3HZ LYS 100 3HZ LYS 100 24.607 -7.705 -6.301 773 H ALA 101 H ALA 101 19.433 -3.209 -0.091 774 HA ALA 101 HA ALA 101 19.206 -0.810 -1.801 775 1HB ALA 101 1HB ALA 101 17.733 -1.872 0.593 776 2HB ALA 101 2HB ALA 101 17.608 -0.160 0.189 777 3HB ALA 101 3HB ALA 101 17.098 -1.380 -0.977 778 H GLU 102 H GLU 102 21.250 -1.846 0.624 779 HA GLU 102 HA GLU 102 21.528 0.781 1.941 780 1HB GLU 102 1HB GLU 102 21.803 -1.063 3.424 781 2HB GLU 102 2HB GLU 102 22.872 -1.903 2.300 782 1HG GLU 102 1HG GLU 102 24.222 -0.930 4.072 783 2HG GLU 102 2HG GLU 102 24.535 -0.048 2.577 784 H GLU 103 H GLU 103 23.527 -1.387 -0.085 785 HA GLU 103 HA GLU 103 25.773 0.352 -0.288 786 1HB GLU 103 1HB GLU 103 24.698 -1.914 -1.930 787 2HB GLU 103 2HB GLU 103 26.007 -0.933 -2.588 788 1HG GLU 103 1HG GLU 103 27.404 -1.398 -0.660 789 2HG GLU 103 2HG GLU 103 26.076 -2.233 0.149 790 H HIS 104 H HIS 104 22.630 0.605 -1.667 791 HA HIS 104 HA HIS 104 23.518 2.302 -3.905 792 1HB HIS 104 1HB HIS 104 21.461 0.706 -3.867 793 2HB HIS 104 2HB HIS 104 20.663 2.012 -2.991 794 HD1 HIS 104 HD1 HIS 104 21.381 0.888 -6.353 795 HD2 HIS 104 HD2 HIS 104 20.875 4.603 -4.528 796 HE1 HIS 104 HE1 HIS 104 20.938 2.547 -8.215 797 H ILE 105 H ILE 105 22.202 2.682 -0.665 798 HA ILE 105 HA ILE 105 21.799 5.578 -1.074 799 HB ILE 105 HB ILE 105 21.467 3.831 1.383 800 1HG1 ILE 105 1HG1 ILE 105 19.383 5.097 -0.423 801 2HG1 ILE 105 2HG1 ILE 105 19.898 3.415 -0.548 802 1HG2 ILE 105 1HG2 ILE 105 21.157 6.761 0.865 803 2HG2 ILE 105 2HG2 ILE 105 20.012 5.978 1.953 804 3HG2 ILE 105 3HG2 ILE 105 21.738 5.936 2.310 805 1HD1 ILE 105 1HD1 ILE 105 19.314 3.922 2.193 806 2HD1 ILE 105 2HD1 ILE 105 17.968 4.549 1.241 807 3HD1 ILE 105 3HD1 ILE 105 18.451 2.860 1.080 808 H SER 106 H SER 106 24.486 3.873 -0.832 809 HA SER 106 HA SER 106 25.774 5.412 1.346 810 1HB SER 106 1HB SER 106 27.808 4.008 0.299 811 2HB SER 106 2HB SER 106 26.676 3.297 1.445 812 HG SER 106 HG SER 106 26.849 1.976 -0.368 813 H SER 107 H SER 107 24.805 6.755 -1.110 814 HA SER 107 HA SER 107 27.428 7.895 -1.968 815 1HB SER 107 1HB SER 107 27.002 6.989 -4.008 816 2HB SER 107 2HB SER 107 25.318 6.667 -3.610 817 HG SER 107 HG SER 107 26.512 9.059 -4.534 818 H SER 108 H SER 108 27.340 10.161 -2.484 819 HA SER 108 HA SER 108 24.783 11.541 -1.832 820 1HB SER 108 1HB SER 108 26.243 13.244 -0.558 821 2HB SER 108 2HB SER 108 25.913 11.712 0.246 822 HG SER 108 HG SER 108 27.946 11.139 0.004 823 H HIS 109 H HIS 109 24.361 13.121 -3.318 824 HA HIS 109 HA HIS 109 26.280 14.887 -4.442 825 1HB HIS 109 1HB HIS 109 26.743 12.444 -5.483 826 2HB HIS 109 2HB HIS 109 25.493 12.992 -6.599 827 HD1 HIS 109 HD1 HIS 109 28.609 14.563 -5.025 828 HD2 HIS 109 HD2 HIS 109 26.625 14.378 -8.687 829 HE1 HIS 109 HE1 HIS 109 29.988 15.925 -6.657 830 H GLY 110 H GLY 110 23.929 15.601 -3.530 831 1HA GLY 110 1HA GLY 110 22.572 17.139 -5.245 832 2HA GLY 110 2HA GLY 110 21.924 15.566 -5.711 833 H ASP 111 H ASP 111 20.491 17.821 -4.479 834 HA ASP 111 HA ASP 111 19.986 17.152 -1.697 835 1HB ASP 111 1HB ASP 111 18.624 18.922 -3.727 836 2HB ASP 111 2HB ASP 111 17.911 18.641 -2.139 837 H VAL 112 H VAL 112 18.106 16.714 -4.713 838 HA VAL 112 HA VAL 112 16.485 14.658 -3.276 839 HB VAL 112 HB VAL 112 14.848 14.975 -5.124 840 1HG1 VAL 112 1HG1 VAL 112 15.542 16.820 -3.068 841 2HG1 VAL 112 2HG1 VAL 112 15.071 17.762 -4.483 842 3HG1 VAL 112 3HG1 VAL 112 13.961 16.569 -3.807 843 1HG2 VAL 112 1HG2 VAL 112 16.954 15.885 -6.570 844 2HG2 VAL 112 2HG2 VAL 112 15.279 16.270 -6.968 845 3HG2 VAL 112 3HG2 VAL 112 16.256 17.420 -6.056 846 H ASP 113 H ASP 113 19.214 14.363 -4.529 847 HA ASP 113 HA ASP 113 18.820 12.729 -6.907 848 1HB ASP 113 1HB ASP 113 20.921 13.917 -6.610 849 2HB ASP 113 2HB ASP 113 21.193 13.117 -5.061 850 H TYR 114 H TYR 114 20.829 11.403 -4.383 851 HA TYR 114 HA TYR 114 19.438 8.860 -4.532 852 1HB TYR 114 1HB TYR 114 21.115 8.042 -3.069 853 2HB TYR 114 2HB TYR 114 21.945 9.286 -4.001 854 HD1 TYR 114 HD1 TYR 114 20.248 8.587 -0.768 855 HD2 TYR 114 HD2 TYR 114 22.814 11.252 -2.951 856 HE1 TYR 114 HE1 TYR 114 20.778 9.798 1.331 857 HE2 TYR 114 HE2 TYR 114 23.345 12.462 -0.851 858 HH TYR 114 HH TYR 114 22.677 12.767 1.310 859 H ALA 115 H ALA 115 19.267 11.700 -2.567 860 HA ALA 115 HA ALA 115 18.063 10.731 -0.209 861 1HB ALA 115 1HB ALA 115 18.300 13.278 -1.607 862 2HB ALA 115 2HB ALA 115 16.738 13.125 -0.798 863 3HB ALA 115 3HB ALA 115 18.230 12.961 0.128 864 H GLN 116 H GLN 116 16.794 11.060 -3.442 865 HA GLN 116 HA GLN 116 14.014 10.620 -2.551 866 1HB GLN 116 1HB GLN 116 15.325 11.608 -4.943 867 2HB GLN 116 2HB GLN 116 14.167 10.339 -5.347 868 1HG GLN 116 1HG GLN 116 13.116 12.173 -3.336 869 2HG GLN 116 2HG GLN 116 13.553 13.008 -4.828 870 1HE2 GLN 116 2HE2 GLN 116 12.969 10.998 -6.742 871 2HE2 GLN 116 1HE2 GLN 116 11.304 10.674 -6.714 872 H ALA 117 H ALA 117 16.689 8.857 -3.999 873 HA ALA 117 HA ALA 117 15.177 6.531 -4.779 874 1HB ALA 117 1HB ALA 117 17.564 7.200 -5.491 875 2HB ALA 117 2HB ALA 117 18.083 6.511 -3.953 876 3HB ALA 117 3HB ALA 117 17.281 5.493 -5.150 877 H SER 118 H SER 118 16.281 7.717 -1.731 878 HA SER 118 HA SER 118 16.481 5.208 -0.336 879 1HB SER 118 1HB SER 118 16.651 6.492 1.618 880 2HB SER 118 2HB SER 118 17.242 7.605 0.387 881 HG SER 118 HG SER 118 15.472 8.774 0.582 882 H ALA 119 H ALA 119 13.798 7.342 -1.130 883 HA ALA 119 HA ALA 119 11.908 5.988 0.627 884 1HB ALA 119 1HB ALA 119 11.904 8.401 -0.661 885 2HB ALA 119 2HB ALA 119 10.843 7.457 -1.706 886 3HB ALA 119 3HB ALA 119 10.462 7.636 0.006 887 H GLU 120 H GLU 120 13.276 5.296 -2.431 888 HA GLU 120 HA GLU 120 10.986 3.759 -3.430 889 1HB GLU 120 1HB GLU 120 13.861 3.757 -4.396 890 2HB GLU 120 2HB GLU 120 12.452 3.169 -5.280 891 1HG GLU 120 1HG GLU 120 12.035 5.894 -4.367 892 2HG GLU 120 2HG GLU 120 13.499 5.774 -5.343 893 H LEU 121 H LEU 121 13.914 3.157 -1.592 894 HA LEU 121 HA LEU 121 13.579 0.230 -1.829 895 1HB LEU 121 1HB LEU 121 15.526 1.586 0.024 896 2HB LEU 121 2HB LEU 121 15.686 0.042 -0.814 897 HG LEU 121 HG LEU 121 15.648 2.753 -2.172 898 1HD1 LEU 121 1HD1 LEU 121 17.693 2.275 -0.782 899 2HD1 LEU 121 2HD1 LEU 121 17.966 0.841 -1.771 900 3HD1 LEU 121 3HD1 LEU 121 18.026 2.444 -2.505 901 1HD2 LEU 121 1HD2 LEU 121 16.058 -0.080 -3.166 902 2HD2 LEU 121 2HD2 LEU 121 14.790 1.047 -3.645 903 3HD2 LEU 121 3HD2 LEU 121 16.462 1.348 -4.119 904 H ALA 122 H ALA 122 13.267 2.787 0.617 905 HA ALA 122 HA ALA 122 12.711 1.116 2.848 906 1HB ALA 122 1HB ALA 122 12.883 3.831 2.430 907 2HB ALA 122 2HB ALA 122 11.163 3.615 2.755 908 3HB ALA 122 3HB ALA 122 12.358 3.075 3.934 909 H LYS 123 H LYS 123 10.510 2.539 0.426 910 HA LYS 123 HA LYS 123 8.082 1.590 1.567 911 1HB LYS 123 1HB LYS 123 7.134 1.856 -0.693 912 2HB LYS 123 2HB LYS 123 8.162 3.230 -0.285 913 1HG LYS 123 1HG LYS 123 10.004 2.298 -1.570 914 2HG LYS 123 2HG LYS 123 9.085 0.825 -1.884 915 1HD LYS 123 1HD LYS 123 7.312 2.590 -2.832 916 2HD LYS 123 2HD LYS 123 8.776 3.545 -3.074 917 1HE LYS 123 1HE LYS 123 8.820 2.379 -5.051 918 2HE LYS 123 2HE LYS 123 9.649 1.193 -4.043 919 1HZ LYS 123 1HZ LYS 123 6.716 1.158 -4.187 920 2HZ LYS 123 2HZ LYS 123 7.611 0.499 -5.468 921 3HZ LYS 123 3HZ LYS 123 7.797 -0.120 -3.897 922 H ALA 124 H ALA 124 10.551 -0.033 -0.321 923 HA ALA 124 HA ALA 124 8.983 -2.325 -1.074 924 1HB ALA 124 1HB ALA 124 11.557 -1.438 -1.585 925 2HB ALA 124 2HB ALA 124 11.822 -2.860 -0.576 926 3HB ALA 124 3HB ALA 124 10.901 -3.000 -2.073 927 H ILE 125 H ILE 125 10.727 -1.441 1.847 928 HA ILE 125 HA ILE 125 10.712 -4.088 3.014 929 HB ILE 125 HB ILE 125 11.055 -1.308 4.153 930 1HG1 ILE 125 1HG1 ILE 125 13.348 -2.310 4.636 931 2HG1 ILE 125 2HG1 ILE 125 12.857 -3.690 3.655 932 1HG2 ILE 125 1HG2 ILE 125 10.717 -3.944 5.547 933 2HG2 ILE 125 2HG2 ILE 125 11.865 -2.777 6.203 934 3HG2 ILE 125 3HG2 ILE 125 10.164 -2.343 6.037 935 1HD1 ILE 125 1HD1 ILE 125 12.829 -0.820 2.681 936 2HD1 ILE 125 2HD1 ILE 125 14.136 -1.961 2.363 937 3HD1 ILE 125 3HD1 ILE 125 12.523 -2.265 1.718 938 H ALA 126 H ALA 126 8.227 -1.911 2.353 939 HA ALA 126 HA ALA 126 6.590 -2.634 4.698 940 1HB ALA 126 1HB ALA 126 6.447 -0.666 2.508 941 2HB ALA 126 2HB ALA 126 4.891 -1.371 2.947 942 3HB ALA 126 3HB ALA 126 5.861 -0.547 4.168 943 H GLN 127 H GLN 127 6.926 -3.481 1.299 944 HA GLN 127 HA GLN 127 4.462 -5.049 1.234 945 1HB GLN 127 1HB GLN 127 5.226 -5.758 -0.978 946 2HB GLN 127 2HB GLN 127 5.447 -4.017 -0.813 947 1HG GLN 127 1HG GLN 127 7.641 -4.255 -1.237 948 2HG GLN 127 2HG GLN 127 7.800 -5.289 0.183 949 1HE2 GLN 127 2HE2 GLN 127 6.187 -7.496 -0.684 950 2HE2 GLN 127 1HE2 GLN 127 6.962 -8.238 -1.998 951 H LEU 128 H LEU 128 7.611 -5.531 2.448 952 HA LEU 128 HA LEU 128 7.734 -8.415 2.032 953 1HB LEU 128 1HB LEU 128 9.811 -7.202 2.337 954 2HB LEU 128 2HB LEU 128 9.257 -6.556 3.882 955 HG LEU 128 HG LEU 128 9.257 -9.521 3.554 956 1HD1 LEU 128 1HD1 LEU 128 11.705 -7.776 3.691 957 2HD1 LEU 128 2HD1 LEU 128 11.708 -9.368 4.446 958 3HD1 LEU 128 3HD1 LEU 128 11.426 -9.216 2.712 959 1HD2 LEU 128 1HD2 LEU 128 8.947 -7.606 5.631 960 2HD2 LEU 128 2HD2 LEU 128 8.936 -9.364 5.780 961 3HD2 LEU 128 3HD2 LEU 128 10.448 -8.473 5.958 962 H ARG 129 H ARG 129 6.185 -6.307 4.279 963 HA ARG 129 HA ARG 129 5.970 -8.303 6.414 964 1HB ARG 129 1HB ARG 129 4.736 -5.579 5.959 965 2HB ARG 129 2HB ARG 129 4.317 -6.587 7.344 966 1HG ARG 129 1HG ARG 129 6.815 -6.725 7.840 967 2HG ARG 129 2HG ARG 129 7.030 -5.448 6.641 968 1HD ARG 129 1HD ARG 129 4.923 -4.957 8.665 969 2HD ARG 129 2HD ARG 129 6.578 -4.958 9.274 970 HE ARG 129 HE ARG 129 6.580 -3.362 6.948 971 1HH1 ARG 129 1HH1 ARG 129 4.393 -3.396 9.547 972 2HH1 ARG 129 2HH1 ARG 129 4.563 -1.713 9.919 973 1HH2 ARG 129 1HH2 ARG 129 7.133 -1.202 7.646 974 2HH2 ARG 129 2HH2 ARG 129 6.117 -0.470 8.843 975 H VAL 130 H VAL 130 4.081 -7.263 3.649 976 HA VAL 130 HA VAL 130 1.686 -8.710 4.556 977 HB VAL 130 HB VAL 130 0.775 -8.023 2.334 978 1HG1 VAL 130 1HG1 VAL 130 1.465 -6.404 4.545 979 2HG1 VAL 130 2HG1 VAL 130 1.840 -5.453 3.109 980 3HG1 VAL 130 3HG1 VAL 130 0.212 -6.090 3.344 981 1HG2 VAL 130 1HG2 VAL 130 3.194 -8.083 1.341 982 2HG2 VAL 130 2HG2 VAL 130 2.069 -6.856 0.761 983 3HG2 VAL 130 3HG2 VAL 130 3.301 -6.432 1.949 984 H ILE 131 H ILE 131 4.446 -9.269 2.463 985 HA ILE 131 HA ILE 131 3.314 -11.498 1.024 986 HB ILE 131 HB ILE 131 5.315 -10.284 0.225 987 1HG1 ILE 131 1HG1 ILE 131 5.719 -13.219 0.880 988 2HG1 ILE 131 2HG1 ILE 131 4.982 -12.556 -0.579 989 1HG2 ILE 131 1HG2 ILE 131 6.311 -9.900 2.478 990 2HG2 ILE 131 2HG2 ILE 131 6.702 -11.617 2.572 991 3HG2 ILE 131 3HG2 ILE 131 7.467 -10.605 1.348 992 1HD1 ILE 131 1HD1 ILE 131 7.839 -12.015 0.278 993 2HD1 ILE 131 2HD1 ILE 131 7.375 -13.247 -0.896 994 3HD1 ILE 131 3HD1 ILE 131 7.086 -11.543 -1.245 995 H GLU 132 H GLU 132 4.874 -11.160 4.149 996 HA GLU 132 HA GLU 132 5.496 -13.932 4.555 997 1HB GLU 132 1HB GLU 132 4.923 -11.679 6.496 998 2HB GLU 132 2HB GLU 132 5.423 -13.292 7.010 999 1HG GLU 132 1HG GLU 132 7.061 -11.990 4.890 1000 2HG GLU 132 2HG GLU 132 7.198 -11.331 6.521 1001 H LEU 133 H LEU 133 2.517 -12.250 4.445 1002 HA LEU 133 HA LEU 133 1.101 -14.228 6.123 1003 1HB LEU 133 1HB LEU 133 0.381 -11.655 4.768 1004 2HB LEU 133 2HB LEU 133 -0.909 -12.797 5.144 1005 HG LEU 133 HG LEU 133 -0.366 -12.773 7.481 1006 1HD1 LEU 133 1HD1 LEU 133 2.163 -11.561 6.469 1007 2HD1 LEU 133 2HD1 LEU 133 1.596 -11.037 8.054 1008 3HD1 LEU 133 3HD1 LEU 133 1.922 -12.745 7.753 1009 1HD2 LEU 133 1HD2 LEU 133 -0.441 -10.078 6.138 1010 2HD2 LEU 133 2HD2 LEU 133 -1.709 -10.892 7.053 1011 3HD2 LEU 133 3HD2 LEU 133 -0.328 -10.190 7.895 1012 H THR 134 H THR 134 1.314 -13.254 2.708 1013 HA THR 134 HA THR 134 -0.641 -15.185 1.804 1014 HB THR 134 HB THR 134 0.586 -14.722 -0.456 1015 HG1 THR 134 HG1 THR 134 2.453 -13.885 0.677 1016 1HG2 THR 134 1HG2 THR 134 -1.579 -13.709 0.397 1017 2HG2 THR 134 2HG2 THR 134 -0.617 -12.362 1.003 1018 3HG2 THR 134 3HG2 THR 134 -0.672 -12.698 -0.726 1019 H LYS 135 H LYS 135 2.403 -15.638 3.083 1020 HA LYS 135 HA LYS 135 3.329 -17.735 1.281 1021 1HB LYS 135 1HB LYS 135 5.014 -18.177 3.038 1022 2HB LYS 135 2HB LYS 135 4.925 -16.457 2.656 1023 1HG LYS 135 1HG LYS 135 4.805 -16.288 4.943 1024 2HG LYS 135 2HG LYS 135 3.090 -16.541 4.619 1025 1HD LYS 135 1HD LYS 135 3.129 -18.461 5.785 1026 2HD LYS 135 2HD LYS 135 4.388 -19.097 4.726 1027 1HE LYS 135 1HE LYS 135 5.469 -19.122 6.793 1028 2HE LYS 135 2HE LYS 135 5.969 -17.555 6.156 1029 1HZ LYS 135 1HZ LYS 135 3.482 -17.315 7.466 1030 2HZ LYS 135 2HZ LYS 135 4.597 -18.061 8.508 1031 3HZ LYS 135 3HZ LYS 135 4.951 -16.547 7.824 1032 H LYS 136 H LYS 136 1.181 -17.557 4.013 1033 HA LYS 136 HA LYS 136 0.988 -20.544 3.976 1034 1HB LYS 136 1HB LYS 136 1.858 -19.772 6.132 1035 2HB LYS 136 2HB LYS 136 0.512 -18.643 6.293 1036 1HG LYS 136 1HG LYS 136 -0.886 -20.261 7.024 1037 2HG LYS 136 2HG LYS 136 -0.383 -21.373 5.750 1038 1HD LYS 136 1HD LYS 136 1.631 -20.880 7.863 1039 2HD LYS 136 2HD LYS 136 0.187 -21.749 8.385 1040 1HE LYS 136 1HE LYS 136 1.906 -22.512 6.005 1041 2HE LYS 136 2HE LYS 136 1.958 -23.297 7.583 1042 1HZ LYS 136 1HZ LYS 136 -0.695 -23.254 6.890 1043 2HZ LYS 136 2HZ LYS 136 0.110 -23.662 5.451 1044 3HZ LYS 136 3HZ LYS 136 0.340 -24.600 6.845 1045 H ALA 137 H ALA 137 -0.459 -18.862 2.191 1046 HA ALA 137 HA ALA 137 -3.211 -18.912 3.349 1047 1HB ALA 137 1HB ALA 137 -2.117 -16.790 2.235 1048 2HB ALA 137 2HB ALA 137 -2.540 -17.607 0.730 1049 3HB ALA 137 3HB ALA 137 -3.800 -17.189 1.891 1050 H MET 138 H MET 138 -1.122 -20.402 1.044 1051 HA MET 138 HA MET 138 -3.136 -21.377 -0.775 1052 1HB MET 138 1HB MET 138 -0.755 -21.344 -1.386 1053 2HB MET 138 2HB MET 138 -0.397 -22.496 -0.100 1054 1HG MET 138 1HG MET 138 -1.744 -24.203 -1.168 1055 2HG MET 138 2HG MET 138 -2.316 -23.054 -2.378 1056 1HE MET 138 1HE MET 138 -1.747 -22.916 -4.282 1057 2HE MET 138 2HE MET 138 -0.196 -23.088 -5.100 1058 3HE MET 138 3HE MET 138 -1.162 -24.519 -4.750 Start of MODEL 26 1 1H ALA 1 1H ALA 1 -20.882 4.331 8.505 2 2H ALA 1 2H ALA 1 -21.148 4.055 6.853 3 3H ALA 1 3H ALA 1 -22.241 5.005 7.741 4 HA ALA 1 HA ALA 1 -22.975 3.139 9.004 5 1HB ALA 1 1HB ALA 1 -22.781 2.561 6.032 6 2HB ALA 1 2HB ALA 1 -23.850 1.705 7.145 7 3HB ALA 1 3HB ALA 1 -24.080 3.429 6.854 8 H MET 2 H MET 2 -22.554 1.090 9.833 9 HA MET 2 HA MET 2 -19.975 0.110 10.070 10 1HB MET 2 1HB MET 2 -22.564 -0.808 10.743 11 2HB MET 2 2HB MET 2 -21.779 -2.139 9.894 12 1HG MET 2 1HG MET 2 -19.815 -1.046 11.604 13 2HG MET 2 2HG MET 2 -21.288 -1.163 12.567 14 1HE MET 2 1HE MET 2 -21.891 -2.780 13.738 15 2HE MET 2 2HE MET 2 -21.441 -4.483 13.725 16 3HE MET 2 3HE MET 2 -20.260 -3.271 14.212 17 H THR 3 H THR 3 -18.561 -0.913 8.723 18 HA THR 3 HA THR 3 -17.727 -2.004 6.820 19 HB THR 3 HB THR 3 -20.247 -3.017 5.771 20 HG1 THR 3 HG1 THR 3 -19.640 -3.375 8.515 21 1HG2 THR 3 1HG2 THR 3 -17.557 -3.903 6.466 22 2HG2 THR 3 2HG2 THR 3 -18.781 -5.094 6.908 23 3HG2 THR 3 3HG2 THR 3 -18.660 -4.530 5.241 24 H TYR 4 H TYR 4 -17.238 -1.072 4.887 25 HA TYR 4 HA TYR 4 -19.387 0.442 3.483 26 1HB TYR 4 1HB TYR 4 -17.725 2.213 2.959 27 2HB TYR 4 2HB TYR 4 -18.013 2.059 4.687 28 HD1 TYR 4 HD1 TYR 4 -16.412 0.272 5.903 29 HD2 TYR 4 HD2 TYR 4 -15.509 2.326 2.242 30 HE1 TYR 4 HE1 TYR 4 -13.997 -0.080 6.308 31 HE2 TYR 4 HE2 TYR 4 -13.088 1.966 2.636 32 HH TYR 4 HH TYR 4 -11.927 -0.161 5.096 33 H HIS 5 H HIS 5 -17.167 1.264 1.545 34 HA HIS 5 HA HIS 5 -16.604 -1.366 0.273 35 1HB HIS 5 1HB HIS 5 -18.368 -1.020 -1.125 36 2HB HIS 5 2HB HIS 5 -18.523 0.669 -0.647 37 HD1 HIS 5 HD1 HIS 5 -17.638 -1.318 -3.513 38 HD2 HIS 5 HD2 HIS 5 -16.227 2.236 -1.882 39 HE1 HIS 5 HE1 HIS 5 -16.319 -0.161 -5.343 40 H LEU 6 H LEU 6 -14.760 -1.274 -1.141 41 HA LEU 6 HA LEU 6 -13.166 1.180 -0.904 42 1HB LEU 6 1HB LEU 6 -12.597 -1.489 -0.273 43 2HB LEU 6 2HB LEU 6 -11.713 -1.152 -1.763 44 HG LEU 6 HG LEU 6 -10.275 -0.506 0.007 45 1HD1 LEU 6 1HD1 LEU 6 -11.329 1.313 -1.849 46 2HD1 LEU 6 2HD1 LEU 6 -11.209 2.210 -0.336 47 3HD1 LEU 6 3HD1 LEU 6 -9.775 1.442 -1.022 48 1HD2 LEU 6 1HD2 LEU 6 -12.657 0.998 1.117 49 2HD2 LEU 6 2HD2 LEU 6 -11.951 -0.467 1.795 50 3HD2 LEU 6 3HD2 LEU 6 -11.031 1.037 1.800 51 H ASP 7 H ASP 7 -12.635 2.187 -2.857 52 HA ASP 7 HA ASP 7 -13.025 0.567 -5.337 53 1HB ASP 7 1HB ASP 7 -14.531 2.847 -4.503 54 2HB ASP 7 2HB ASP 7 -13.546 3.331 -5.882 55 H VAL 8 H VAL 8 -10.596 0.391 -4.930 56 HA VAL 8 HA VAL 8 -9.177 2.846 -5.863 57 HB VAL 8 HB VAL 8 -8.329 2.055 -3.734 58 1HG1 VAL 8 1HG1 VAL 8 -8.959 -0.504 -4.856 59 2HG1 VAL 8 2HG1 VAL 8 -7.250 -0.495 -4.422 60 3HG1 VAL 8 3HG1 VAL 8 -8.470 -0.128 -3.204 61 1HG2 VAL 8 1HG2 VAL 8 -6.784 2.520 -5.906 62 2HG2 VAL 8 2HG2 VAL 8 -6.114 2.152 -4.317 63 3HG2 VAL 8 3HG2 VAL 8 -6.273 0.877 -5.525 64 H VAL 9 H VAL 9 -8.670 2.785 -8.001 65 HA VAL 9 HA VAL 9 -7.934 0.138 -9.180 66 HB VAL 9 HB VAL 9 -9.107 0.714 -11.225 67 1HG1 VAL 9 1HG1 VAL 9 -10.341 0.142 -8.812 68 2HG1 VAL 9 2HG1 VAL 9 -11.264 1.520 -9.411 69 3HG1 VAL 9 3HG1 VAL 9 -11.112 0.065 -10.396 70 1HG2 VAL 9 1HG2 VAL 9 -9.240 3.377 -9.891 71 2HG2 VAL 9 2HG2 VAL 9 -9.016 2.985 -11.596 72 3HG2 VAL 9 3HG2 VAL 9 -10.625 2.910 -10.878 73 H SER 10 H SER 10 -6.492 0.343 -11.078 74 HA SER 10 HA SER 10 -4.838 2.830 -10.909 75 1HB SER 10 1HB SER 10 -4.162 -0.014 -10.954 76 2HB SER 10 2HB SER 10 -3.299 0.898 -12.190 77 HG SER 10 HG SER 10 -2.063 1.420 -10.564 78 H ALA 11 H ALA 11 -3.644 3.270 -13.048 79 HA ALA 11 HA ALA 11 -5.492 3.767 -15.124 80 1HB ALA 11 1HB ALA 11 -3.099 4.716 -14.759 81 2HB ALA 11 2HB ALA 11 -2.563 3.307 -15.673 82 3HB ALA 11 3HB ALA 11 -3.652 4.478 -16.416 83 H GLU 12 H GLU 12 -6.528 2.311 -16.388 84 HA GLU 12 HA GLU 12 -6.953 0.363 -17.624 85 1HB GLU 12 1HB GLU 12 -3.957 0.639 -17.863 86 2HB GLU 12 2HB GLU 12 -4.807 -0.720 -18.599 87 1HG GLU 12 1HG GLU 12 -6.330 1.513 -19.312 88 2HG GLU 12 2HG GLU 12 -4.659 2.053 -19.480 89 H GLN 13 H GLN 13 -6.962 0.073 -14.842 90 HA GLN 13 HA GLN 13 -6.704 -2.755 -14.545 91 1HB GLN 13 1HB GLN 13 -4.233 -1.720 -14.477 92 2HB GLN 13 2HB GLN 13 -4.678 -1.436 -12.794 93 1HG GLN 13 1HG GLN 13 -4.695 -3.660 -12.283 94 2HG GLN 13 2HG GLN 13 -5.358 -4.117 -13.853 95 1HE2 GLN 13 2HE2 GLN 13 -2.699 -4.699 -12.092 96 2HE2 GLN 13 1HE2 GLN 13 -1.513 -4.754 -13.305 97 H GLN 14 H GLN 14 -7.028 -3.375 -12.161 98 HA GLN 14 HA GLN 14 -8.128 -1.184 -10.503 99 1HB GLN 14 1HB GLN 14 -10.285 -2.293 -10.208 100 2HB GLN 14 2HB GLN 14 -10.016 -1.987 -11.925 101 1HG GLN 14 1HG GLN 14 -8.851 -4.465 -11.571 102 2HG GLN 14 2HG GLN 14 -10.250 -4.543 -10.499 103 1HE2 GLN 14 2HE2 GLN 14 -9.898 -5.963 -13.100 104 2HE2 GLN 14 1HE2 GLN 14 -11.176 -5.443 -14.089 105 H MET 15 H MET 15 -8.936 -2.247 -8.323 106 HA MET 15 HA MET 15 -7.358 -4.674 -7.671 107 1HB MET 15 1HB MET 15 -7.066 -2.000 -6.276 108 2HB MET 15 2HB MET 15 -6.450 -3.521 -5.628 109 1HG MET 15 1HG MET 15 -5.683 -2.292 -8.292 110 2HG MET 15 2HG MET 15 -4.675 -2.332 -6.845 111 1HE MET 15 1HE MET 15 -2.956 -3.420 -6.858 112 2HE MET 15 2HE MET 15 -2.592 -5.085 -7.308 113 3HE MET 15 3HE MET 15 -2.651 -3.838 -8.550 114 H PHE 16 H PHE 16 -8.943 -2.210 -5.622 115 HA PHE 16 HA PHE 16 -10.714 -4.399 -4.628 116 1HB PHE 16 1HB PHE 16 -9.141 -3.217 -3.002 117 2HB PHE 16 2HB PHE 16 -10.135 -1.778 -3.228 118 HD1 PHE 16 HD1 PHE 16 -12.409 -4.295 -3.707 119 HD2 PHE 16 HD2 PHE 16 -10.079 -2.581 -0.532 120 HE1 PHE 16 HE1 PHE 16 -14.022 -5.161 -2.059 121 HE2 PHE 16 HE2 PHE 16 -11.692 -3.453 1.112 122 HZ PHE 16 HZ PHE 16 -13.655 -4.759 0.361 123 H SER 17 H SER 17 -12.713 -4.288 -5.538 124 HA SER 17 HA SER 17 -14.016 -1.623 -5.623 125 1HB SER 17 1HB SER 17 -14.821 -1.918 -7.839 126 2HB SER 17 2HB SER 17 -13.125 -2.388 -7.916 127 HG SER 17 HG SER 17 -14.236 -4.017 -8.879 128 H GLY 18 H GLY 18 -15.243 -2.221 -3.783 129 1HA GLY 18 1HA GLY 18 -17.760 -3.366 -4.172 130 2HA GLY 18 2HA GLY 18 -16.732 -4.696 -3.633 131 H LEU 19 H LEU 19 -18.080 -4.727 -1.654 132 HA LEU 19 HA LEU 19 -18.108 -2.428 0.111 133 1HB LEU 19 1HB LEU 19 -18.888 -4.115 1.842 134 2HB LEU 19 2HB LEU 19 -19.885 -4.002 0.402 135 HG LEU 19 HG LEU 19 -19.145 -6.356 1.390 136 1HD1 LEU 19 1HD1 LEU 19 -20.002 -5.377 -1.139 137 2HD1 LEU 19 2HD1 LEU 19 -18.828 -6.660 -1.433 138 3HD1 LEU 19 3HD1 LEU 19 -20.255 -6.980 -0.447 139 1HD2 LEU 19 1HD2 LEU 19 -16.829 -5.592 -0.417 140 2HD2 LEU 19 2HD2 LEU 19 -16.740 -5.976 1.298 141 3HD2 LEU 19 3HD2 LEU 19 -17.170 -7.231 0.135 142 H VAL 20 H VAL 20 -17.318 -3.521 2.601 143 HA VAL 20 HA VAL 20 -14.869 -4.837 2.747 144 HB VAL 20 HB VAL 20 -13.498 -3.372 1.651 145 1HG1 VAL 20 1HG1 VAL 20 -15.742 -1.477 2.077 146 2HG1 VAL 20 2HG1 VAL 20 -14.143 -0.782 1.800 147 3HG1 VAL 20 3HG1 VAL 20 -14.850 -1.866 0.607 148 1HG2 VAL 20 1HG2 VAL 20 -13.882 -1.823 4.225 149 2HG2 VAL 20 2HG2 VAL 20 -12.749 -3.158 3.980 150 3HG2 VAL 20 3HG2 VAL 20 -12.521 -1.638 3.113 151 H GLU 21 H GLU 21 -13.778 -4.414 4.896 152 HA GLU 21 HA GLU 21 -15.721 -3.197 6.813 153 1HB GLU 21 1HB GLU 21 -15.021 -5.893 6.640 154 2HB GLU 21 2HB GLU 21 -14.033 -5.278 7.966 155 1HG GLU 21 1HG GLU 21 -16.441 -4.081 8.487 156 2HG GLU 21 2HG GLU 21 -16.959 -5.624 7.806 157 H LYS 22 H LYS 22 -12.301 -3.975 6.153 158 HA LYS 22 HA LYS 22 -11.537 -1.477 7.477 159 1HB LYS 22 1HB LYS 22 -11.643 -2.802 9.460 160 2HB LYS 22 2HB LYS 22 -10.858 -4.171 8.670 161 1HG LYS 22 1HG LYS 22 -8.756 -3.077 8.618 162 2HG LYS 22 2HG LYS 22 -9.474 -1.502 8.951 163 1HD LYS 22 1HD LYS 22 -8.341 -2.489 10.950 164 2HD LYS 22 2HD LYS 22 -10.060 -2.197 11.213 165 1HE LYS 22 1HE LYS 22 -10.602 -4.475 11.066 166 2HE LYS 22 2HE LYS 22 -9.119 -4.869 10.197 167 1HZ LYS 22 1HZ LYS 22 -8.124 -3.903 12.466 168 2HZ LYS 22 2HZ LYS 22 -9.574 -4.565 13.048 169 3HZ LYS 22 3HZ LYS 22 -8.465 -5.550 12.221 170 H ILE 23 H ILE 23 -10.133 -0.693 5.989 171 HA ILE 23 HA ILE 23 -8.305 -2.594 4.599 172 HB ILE 23 HB ILE 23 -7.986 -0.903 2.947 173 1HG1 ILE 23 1HG1 ILE 23 -9.515 1.089 4.626 174 2HG1 ILE 23 2HG1 ILE 23 -7.759 0.948 4.732 175 1HG2 ILE 23 1HG2 ILE 23 -10.564 -1.775 3.665 176 2HG2 ILE 23 2HG2 ILE 23 -10.729 -0.062 3.289 177 3HG2 ILE 23 3HG2 ILE 23 -10.049 -1.163 2.094 178 1HD1 ILE 23 1HD1 ILE 23 -8.443 0.986 1.970 179 2HD1 ILE 23 2HD1 ILE 23 -9.314 2.306 2.745 180 3HD1 ILE 23 3HD1 ILE 23 -7.559 2.211 2.882 181 H GLN 24 H GLN 24 -6.173 -0.786 4.096 182 HA GLN 24 HA GLN 24 -5.318 0.654 6.400 183 1HB GLN 24 1HB GLN 24 -5.291 -2.106 6.840 184 2HB GLN 24 2HB GLN 24 -3.613 -1.701 6.479 185 1HG GLN 24 1HG GLN 24 -4.090 0.322 8.126 186 2HG GLN 24 2HG GLN 24 -5.343 -0.763 8.734 187 1HE2 GLN 24 2HE2 GLN 24 -4.403 -3.184 8.976 188 2HE2 GLN 24 1HE2 GLN 24 -2.897 -3.276 9.752 189 H VAL 25 H VAL 25 -4.374 2.056 4.909 190 HA VAL 25 HA VAL 25 -2.310 0.925 3.087 191 HB VAL 25 HB VAL 25 -3.862 2.412 1.987 192 1HG1 VAL 25 1HG1 VAL 25 -3.389 4.056 4.433 193 2HG1 VAL 25 2HG1 VAL 25 -3.701 4.914 2.925 194 3HG1 VAL 25 3HG1 VAL 25 -4.886 3.767 3.548 195 1HG2 VAL 25 1HG2 VAL 25 -1.446 2.614 1.392 196 2HG2 VAL 25 2HG2 VAL 25 -2.331 4.118 1.142 197 3HG2 VAL 25 3HG2 VAL 25 -1.298 3.928 2.559 198 H THR 26 H THR 26 -0.153 1.468 3.334 199 HA THR 26 HA THR 26 0.522 3.311 5.587 200 HB THR 26 HB THR 26 1.966 0.713 5.005 201 HG1 THR 26 HG1 THR 26 -0.154 1.365 6.734 202 1HG2 THR 26 1HG2 THR 26 2.542 3.025 6.601 203 2HG2 THR 26 2HG2 THR 26 2.267 1.650 7.670 204 3HG2 THR 26 3HG2 THR 26 3.499 1.556 6.412 205 H GLY 27 H GLY 27 1.365 4.996 4.417 206 1HA GLY 27 1HA GLY 27 3.681 4.355 2.646 207 2HA GLY 27 2HA GLY 27 2.453 5.508 2.120 208 H SER 28 H SER 28 1.968 6.950 4.420 209 HA SER 28 HA SER 28 4.052 7.770 6.057 210 1HB SER 28 1HB SER 28 4.591 8.430 3.287 211 2HB SER 28 2HB SER 28 4.475 9.893 4.261 212 HG SER 28 HG SER 28 6.504 8.270 4.103 213 H GLU 29 H GLU 29 1.855 9.315 3.691 214 HA GLU 29 HA GLU 29 1.054 11.310 5.703 215 1HB GLU 29 1HB GLU 29 0.692 10.918 2.789 216 2HB GLU 29 2HB GLU 29 -0.658 11.692 3.621 217 1HG GLU 29 1HG GLU 29 1.572 12.940 4.714 218 2HG GLU 29 2HG GLU 29 1.998 12.754 3.012 219 H GLY 30 H GLY 30 -0.633 10.991 7.070 220 1HA GLY 30 1HA GLY 30 -2.841 10.325 7.688 221 2HA GLY 30 2HA GLY 30 -2.943 9.371 6.208 222 H GLU 31 H GLU 31 -0.851 7.680 6.318 223 HA GLU 31 HA GLU 31 -0.178 5.648 7.275 224 1HB GLU 31 1HB GLU 31 -0.266 7.578 9.561 225 2HB GLU 31 2HB GLU 31 -0.063 5.864 9.927 226 1HG GLU 31 1HG GLU 31 1.949 5.718 8.689 227 2HG GLU 31 2HG GLU 31 1.635 7.232 7.840 228 H LEU 32 H LEU 32 -3.168 6.453 7.068 229 HA LEU 32 HA LEU 32 -4.145 4.237 8.824 230 1HB LEU 32 1HB LEU 32 -5.079 7.027 8.606 231 2HB LEU 32 2HB LEU 32 -6.366 5.821 8.491 232 HG LEU 32 HG LEU 32 -4.341 5.374 10.620 233 1HD1 LEU 32 1HD1 LEU 32 -6.432 7.568 10.788 234 2HD1 LEU 32 2HD1 LEU 32 -5.458 6.982 12.136 235 3HD1 LEU 32 3HD1 LEU 32 -4.685 7.808 10.784 236 1HD2 LEU 32 1HD2 LEU 32 -6.934 4.483 9.897 237 2HD2 LEU 32 2HD2 LEU 32 -5.991 4.003 11.308 238 3HD2 LEU 32 3HD2 LEU 32 -7.112 5.361 11.416 239 H GLY 33 H GLY 33 -6.112 3.177 7.959 240 1HA GLY 33 1HA GLY 33 -6.040 3.144 4.983 241 2HA GLY 33 2HA GLY 33 -6.693 1.858 6.001 242 H ILE 34 H ILE 34 -8.879 1.814 6.200 243 HA ILE 34 HA ILE 34 -10.401 4.320 6.283 244 HB ILE 34 HB ILE 34 -10.787 2.323 4.032 245 1HG1 ILE 34 1HG1 ILE 34 -9.013 4.073 3.733 246 2HG1 ILE 34 2HG1 ILE 34 -10.352 4.250 2.599 247 1HG2 ILE 34 1HG2 ILE 34 -12.932 3.115 5.078 248 2HG2 ILE 34 2HG2 ILE 34 -12.435 4.771 4.736 249 3HG2 ILE 34 3HG2 ILE 34 -12.732 3.651 3.408 250 1HD1 ILE 34 1HD1 ILE 34 -11.393 5.884 4.214 251 2HD1 ILE 34 2HD1 ILE 34 -9.892 5.827 5.141 252 3HD1 ILE 34 3HD1 ILE 34 -9.885 6.439 3.486 253 H TYR 35 H TYR 35 -12.477 4.018 7.155 254 HA TYR 35 HA TYR 35 -13.425 1.298 7.748 255 1HB TYR 35 1HB TYR 35 -13.168 3.090 10.126 256 2HB TYR 35 2HB TYR 35 -13.133 1.331 10.042 257 HD1 TYR 35 HD1 TYR 35 -11.123 4.338 9.010 258 HD2 TYR 35 HD2 TYR 35 -11.102 0.198 10.166 259 HE1 TYR 35 HE1 TYR 35 -8.645 4.358 9.040 260 HE2 TYR 35 HE2 TYR 35 -8.622 0.221 10.196 261 HH TYR 35 HH TYR 35 -6.793 1.436 9.915 262 HA PRO 36 HA PRO 36 -17.299 3.385 7.878 263 1HB PRO 36 1HB PRO 36 -18.551 2.637 10.211 264 2HB PRO 36 2HB PRO 36 -18.336 1.560 8.821 265 1HG PRO 36 1HG PRO 36 -16.908 1.555 11.432 266 2HG PRO 36 2HG PRO 36 -17.160 0.226 10.289 267 1HD PRO 36 1HD PRO 36 -14.786 1.739 10.618 268 2HD PRO 36 2HD PRO 36 -15.121 0.589 9.305 269 H GLY 37 H GLY 37 -16.194 5.529 8.138 270 1HA GLY 37 1HA GLY 37 -17.106 7.594 9.300 271 2HA GLY 37 2HA GLY 37 -16.755 6.754 10.810 272 H HIS 38 H HIS 38 -14.567 6.449 8.101 273 HA HIS 38 HA HIS 38 -12.283 7.225 9.586 274 1HB HIS 38 1HB HIS 38 -11.958 5.980 7.564 275 2HB HIS 38 2HB HIS 38 -12.813 7.187 6.605 276 HD1 HIS 38 HD1 HIS 38 -9.908 7.449 9.081 277 HD2 HIS 38 HD2 HIS 38 -10.911 8.608 5.204 278 HE1 HIS 38 HE1 HIS 38 -7.947 8.791 8.206 279 H ALA 39 H ALA 39 -11.169 9.200 9.757 280 HA ALA 39 HA ALA 39 -12.606 11.588 9.941 281 1HB ALA 39 1HB ALA 39 -9.974 10.839 10.346 282 2HB ALA 39 2HB ALA 39 -9.846 12.009 9.033 283 3HB ALA 39 3HB ALA 39 -10.611 12.471 10.553 284 HA PRO 40 HA PRO 40 -13.019 13.218 5.885 285 1HB PRO 40 1HB PRO 40 -12.225 15.835 6.170 286 2HB PRO 40 2HB PRO 40 -13.750 15.198 6.810 287 1HG PRO 40 1HG PRO 40 -11.253 15.909 8.274 288 2HG PRO 40 2HG PRO 40 -12.925 15.880 8.856 289 1HD PRO 40 1HD PRO 40 -10.961 13.897 9.345 290 2HD PRO 40 2HD PRO 40 -12.706 13.735 9.637 291 H LEU 41 H LEU 41 -11.283 11.941 4.875 292 HA LEU 41 HA LEU 41 -8.677 13.345 4.560 293 1HB LEU 41 1HB LEU 41 -9.430 10.610 4.814 294 2HB LEU 41 2HB LEU 41 -8.773 10.822 3.191 295 HG LEU 41 HG LEU 41 -6.956 10.285 4.727 296 1HD1 LEU 41 1HD1 LEU 41 -7.161 12.997 3.505 297 2HD1 LEU 41 2HD1 LEU 41 -5.799 12.704 4.585 298 3HD1 LEU 41 3HD1 LEU 41 -6.026 11.691 3.161 299 1HD2 LEU 41 1HD2 LEU 41 -8.469 11.971 6.487 300 2HD2 LEU 41 2HD2 LEU 41 -7.056 10.986 6.867 301 3HD2 LEU 41 3HD2 LEU 41 -6.850 12.651 6.323 302 H LEU 42 H LEU 42 -8.293 14.455 2.692 303 HA LEU 42 HA LEU 42 -9.497 13.544 0.164 304 1HB LEU 42 1HB LEU 42 -10.637 15.706 1.711 305 2HB LEU 42 2HB LEU 42 -10.034 16.311 0.168 306 HG LEU 42 HG LEU 42 -11.582 13.754 0.156 307 1HD1 LEU 42 1HD1 LEU 42 -12.608 16.155 1.310 308 2HD1 LEU 42 2HD1 LEU 42 -13.381 15.941 -0.260 309 3HD1 LEU 42 3HD1 LEU 42 -13.479 14.664 0.953 310 1HD2 LEU 42 1HD2 LEU 42 -10.475 14.854 -1.860 311 2HD2 LEU 42 2HD2 LEU 42 -12.196 14.509 -2.040 312 3HD2 LEU 42 3HD2 LEU 42 -11.657 16.152 -1.694 313 H THR 43 H THR 43 -7.054 13.272 0.036 314 HA THR 43 HA THR 43 -5.931 15.664 -1.285 315 HB THR 43 HB THR 43 -3.875 15.641 0.009 316 HG1 THR 43 HG1 THR 43 -5.098 13.524 1.446 317 1HG2 THR 43 1HG2 THR 43 -5.744 16.967 0.921 318 2HG2 THR 43 2HG2 THR 43 -6.289 15.565 1.842 319 3HG2 THR 43 3HG2 THR 43 -4.738 16.318 2.216 320 H ALA 44 H ALA 44 -3.229 14.260 -1.116 321 HA ALA 44 HA ALA 44 -3.806 12.303 -3.282 322 1HB ALA 44 1HB ALA 44 -1.908 14.320 -3.075 323 2HB ALA 44 2HB ALA 44 -0.988 12.861 -2.712 324 3HB ALA 44 3HB ALA 44 -1.870 12.991 -4.234 325 H ILE 45 H ILE 45 -1.677 10.612 -3.159 326 HA ILE 45 HA ILE 45 -1.719 9.510 -0.384 327 HB ILE 45 HB ILE 45 -1.770 7.654 -2.740 328 1HG1 ILE 45 1HG1 ILE 45 -4.247 8.842 -1.451 329 2HG1 ILE 45 2HG1 ILE 45 -3.643 9.305 -3.043 330 1HG2 ILE 45 1HG2 ILE 45 -1.990 7.535 0.151 331 2HG2 ILE 45 2HG2 ILE 45 -3.391 6.786 -0.615 332 3HG2 ILE 45 3HG2 ILE 45 -1.767 6.219 -1.002 333 1HD1 ILE 45 1HD1 ILE 45 -3.765 6.845 -3.676 334 2HD1 ILE 45 2HD1 ILE 45 -4.647 6.587 -2.171 335 3HD1 ILE 45 3HD1 ILE 45 -5.322 7.635 -3.419 336 H LYS 46 H LYS 46 0.019 7.690 -0.236 337 HA LYS 46 HA LYS 46 2.416 8.528 -1.819 338 1HB LYS 46 1HB LYS 46 1.982 8.492 1.051 339 2HB LYS 46 2HB LYS 46 3.320 7.429 0.610 340 1HG LYS 46 1HG LYS 46 4.630 9.244 0.377 341 2HG LYS 46 2HG LYS 46 3.606 9.769 -0.960 342 1HD LYS 46 1HD LYS 46 2.800 10.286 1.898 343 2HD LYS 46 2HD LYS 46 3.893 11.382 1.053 344 1HE LYS 46 1HE LYS 46 1.360 10.559 -0.315 345 2HE LYS 46 2HE LYS 46 1.272 11.767 0.967 346 1HZ LYS 46 1HZ LYS 46 3.425 12.491 -0.580 347 2HZ LYS 46 2HZ LYS 46 2.223 12.042 -1.694 348 3HZ LYS 46 3HZ LYS 46 1.906 13.243 -0.537 349 HA PRO 47 HA PRO 47 3.143 4.283 -2.658 350 1HB PRO 47 1HB PRO 47 5.849 4.020 -2.242 351 2HB PRO 47 2HB PRO 47 5.151 4.874 -3.630 352 1HG PRO 47 1HG PRO 47 6.446 6.002 -1.188 353 2HG PRO 47 2HG PRO 47 6.331 6.690 -2.817 354 1HD PRO 47 1HD PRO 47 4.743 7.432 -0.602 355 2HD PRO 47 2HD PRO 47 4.410 7.834 -2.301 356 H GLY 48 H GLY 48 3.172 2.248 -1.620 357 1HA GLY 48 1HA GLY 48 4.532 1.460 0.670 358 2HA GLY 48 2HA GLY 48 3.086 2.260 1.280 359 H MET 49 H MET 49 2.418 0.159 2.132 360 HA MET 49 HA MET 49 1.464 -1.725 0.009 361 1HB MET 49 1HB MET 49 1.428 -3.442 1.794 362 2HB MET 49 2HB MET 49 3.037 -2.741 1.612 363 1HG MET 49 1HG MET 49 3.002 -1.854 3.693 364 2HG MET 49 2HG MET 49 1.350 -1.265 3.504 365 1HE MET 49 1HE MET 49 -0.574 -2.370 3.623 366 2HE MET 49 2HE MET 49 -0.524 -4.047 3.086 367 3HE MET 49 3HE MET 49 -0.966 -3.676 4.751 368 H ILE 50 H ILE 50 -0.556 -3.054 1.111 369 HA ILE 50 HA ILE 50 -2.323 -1.306 2.651 370 HB ILE 50 HB ILE 50 -2.688 -0.273 0.519 371 1HG1 ILE 50 1HG1 ILE 50 -5.058 -0.875 0.072 372 2HG1 ILE 50 2HG1 ILE 50 -4.862 -2.326 1.056 373 1HG2 ILE 50 1HG2 ILE 50 -1.678 -2.106 -0.829 374 2HG2 ILE 50 2HG2 ILE 50 -3.134 -3.068 -0.573 375 3HG2 ILE 50 3HG2 ILE 50 -3.221 -1.564 -1.490 376 1HD1 ILE 50 1HD1 ILE 50 -4.165 0.363 2.205 377 2HD1 ILE 50 2HD1 ILE 50 -5.849 -0.160 2.155 378 3HD1 ILE 50 3HD1 ILE 50 -4.657 -1.110 3.042 379 H ARG 51 H ARG 51 -3.221 -2.750 4.020 380 HA ARG 51 HA ARG 51 -3.977 -5.445 2.964 381 1HB ARG 51 1HB ARG 51 -2.308 -5.199 4.934 382 2HB ARG 51 2HB ARG 51 -3.714 -4.719 5.886 383 1HG ARG 51 1HG ARG 51 -4.840 -6.829 5.320 384 2HG ARG 51 2HG ARG 51 -3.460 -7.310 4.331 385 1HD ARG 51 1HD ARG 51 -2.860 -8.362 6.290 386 2HD ARG 51 2HD ARG 51 -2.147 -6.781 6.607 387 HE ARG 51 HE ARG 51 -4.919 -7.003 7.503 388 1HH1 ARG 51 1HH1 ARG 51 -2.676 -5.359 8.750 389 2HH1 ARG 51 2HH1 ARG 51 -2.412 -6.221 10.229 390 1HH2 ARG 51 1HH2 ARG 51 -4.113 -9.059 9.188 391 2HH2 ARG 51 2HH2 ARG 51 -3.222 -8.317 10.476 392 H ILE 52 H ILE 52 -6.113 -6.260 3.662 393 HA ILE 52 HA ILE 52 -7.914 -4.310 4.949 394 HB ILE 52 HB ILE 52 -8.552 -5.327 2.188 395 1HG1 ILE 52 1HG1 ILE 52 -7.378 -2.657 3.003 396 2HG1 ILE 52 2HG1 ILE 52 -6.580 -3.891 2.032 397 1HG2 ILE 52 1HG2 ILE 52 -9.841 -3.506 4.166 398 2HG2 ILE 52 2HG2 ILE 52 -10.039 -3.153 2.450 399 3HG2 ILE 52 3HG2 ILE 52 -10.572 -4.702 3.099 400 1HD1 ILE 52 1HD1 ILE 52 -9.146 -3.335 0.882 401 2HD1 ILE 52 2HD1 ILE 52 -8.289 -1.812 1.125 402 3HD1 ILE 52 3HD1 ILE 52 -7.549 -3.098 0.170 403 H VAL 53 H VAL 53 -10.185 -5.233 5.073 404 HA VAL 53 HA VAL 53 -10.177 -8.210 5.158 405 HB VAL 53 HB VAL 53 -11.046 -6.264 7.312 406 1HG1 VAL 53 1HG1 VAL 53 -12.294 -8.719 6.534 407 2HG1 VAL 53 2HG1 VAL 53 -11.487 -8.972 8.081 408 3HG1 VAL 53 3HG1 VAL 53 -12.679 -7.685 7.910 409 1HG2 VAL 53 1HG2 VAL 53 -8.644 -7.241 7.091 410 2HG2 VAL 53 2HG2 VAL 53 -9.444 -7.349 8.661 411 3HG2 VAL 53 3HG2 VAL 53 -9.378 -8.760 7.606 412 H LYS 54 H LYS 54 -11.698 -8.730 3.656 413 HA LYS 54 HA LYS 54 -13.752 -6.983 2.729 414 1HB LYS 54 1HB LYS 54 -12.752 -9.495 2.021 415 2HB LYS 54 2HB LYS 54 -14.435 -9.799 2.450 416 1HG LYS 54 1HG LYS 54 -15.256 -8.369 0.795 417 2HG LYS 54 2HG LYS 54 -13.748 -7.458 0.695 418 1HD LYS 54 1HD LYS 54 -13.723 -8.774 -1.262 419 2HD LYS 54 2HD LYS 54 -12.709 -9.684 -0.142 420 1HE LYS 54 1HE LYS 54 -14.522 -11.185 0.392 421 2HE LYS 54 2HE LYS 54 -15.673 -10.194 -0.503 422 1HZ LYS 54 1HZ LYS 54 -13.359 -11.072 -2.008 423 2HZ LYS 54 2HZ LYS 54 -14.413 -12.313 -1.525 424 3HZ LYS 54 3HZ LYS 54 -14.996 -11.023 -2.458 425 H GLN 55 H GLN 55 -15.252 -6.206 4.162 426 HA GLN 55 HA GLN 55 -16.824 -6.216 5.931 427 1HB GLN 55 1HB GLN 55 -18.162 -6.987 4.047 428 2HB GLN 55 2HB GLN 55 -17.612 -8.644 4.292 429 1HG GLN 55 1HG GLN 55 -18.976 -8.973 6.109 430 2HG GLN 55 2HG GLN 55 -18.850 -7.294 6.638 431 1HE2 GLN 55 2HE2 GLN 55 -19.676 -8.064 3.290 432 2HE2 GLN 55 1HE2 GLN 55 -21.296 -7.564 3.385 433 H HIS 56 H HIS 56 -17.073 -9.700 5.730 434 HA HIS 56 HA HIS 56 -15.341 -10.078 8.092 435 1HB HIS 56 1HB HIS 56 -17.412 -9.501 9.177 436 2HB HIS 56 2HB HIS 56 -18.332 -10.557 8.105 437 HD1 HIS 56 HD1 HIS 56 -18.286 -13.089 8.583 438 HD2 HIS 56 HD2 HIS 56 -15.918 -10.875 11.203 439 HE1 HIS 56 HE1 HIS 56 -17.628 -14.662 10.456 440 H GLY 57 H GLY 57 -14.200 -11.363 6.439 441 1HA GLY 57 1HA GLY 57 -14.753 -14.141 6.587 442 2HA GLY 57 2HA GLY 57 -15.400 -13.554 5.054 443 H HIS 58 H HIS 58 -13.962 -13.005 3.400 444 HA HIS 58 HA HIS 58 -11.197 -13.952 3.771 445 1HB HIS 58 1HB HIS 58 -12.656 -14.421 1.711 446 2HB HIS 58 2HB HIS 58 -12.371 -12.740 1.262 447 HD1 HIS 58 HD1 HIS 58 -10.428 -15.921 2.020 448 HD2 HIS 58 HD2 HIS 58 -9.905 -12.283 0.053 449 HE1 HIS 58 HE1 HIS 58 -8.186 -16.056 0.848 450 H GLU 59 H GLU 59 -9.437 -12.526 2.709 451 HA GLU 59 HA GLU 59 -9.926 -9.656 3.400 452 1HB GLU 59 1HB GLU 59 -7.206 -10.888 3.698 453 2HB GLU 59 2HB GLU 59 -7.906 -9.512 4.552 454 1HG GLU 59 1HG GLU 59 -9.552 -11.205 5.576 455 2HG GLU 59 2HG GLU 59 -8.452 -12.451 4.982 456 H GLU 60 H GLU 60 -8.361 -8.177 2.234 457 HA GLU 60 HA GLU 60 -7.588 -9.366 -0.399 458 1HB GLU 60 1HB GLU 60 -8.787 -6.650 0.205 459 2HB GLU 60 2HB GLU 60 -8.087 -7.082 -1.355 460 1HG GLU 60 1HG GLU 60 -9.682 -8.948 -1.565 461 2HG GLU 60 2HG GLU 60 -10.377 -8.537 0.004 462 H PHE 61 H PHE 61 -5.500 -9.068 -0.965 463 HA PHE 61 HA PHE 61 -3.860 -7.186 0.681 464 1HB PHE 61 1HB PHE 61 -3.407 -9.884 -0.433 465 2HB PHE 61 2HB PHE 61 -2.065 -8.765 -0.676 466 HD1 PHE 61 HD1 PHE 61 -4.165 -10.471 1.846 467 HD2 PHE 61 HD2 PHE 61 -0.801 -7.890 1.188 468 HE1 PHE 61 HE1 PHE 61 -3.463 -10.783 4.205 469 HE2 PHE 61 HE2 PHE 61 -0.085 -8.210 3.542 470 HZ PHE 61 HZ PHE 61 -1.424 -9.653 5.052 471 H ILE 62 H ILE 62 -2.880 -5.480 -0.390 472 HA ILE 62 HA ILE 62 -2.497 -5.649 -3.313 473 HB ILE 62 HB ILE 62 -3.888 -3.183 -2.374 474 1HG1 ILE 62 1HG1 ILE 62 -5.361 -5.761 -3.011 475 2HG1 ILE 62 2HG1 ILE 62 -5.186 -5.094 -1.388 476 1HG2 ILE 62 1HG2 ILE 62 -3.072 -4.335 -4.815 477 2HG2 ILE 62 2HG2 ILE 62 -4.832 -4.442 -4.804 478 3HG2 ILE 62 3HG2 ILE 62 -4.043 -2.877 -4.601 479 1HD1 ILE 62 1HD1 ILE 62 -6.187 -2.926 -2.386 480 2HD1 ILE 62 2HD1 ILE 62 -6.696 -3.946 -3.732 481 3HD1 ILE 62 3HD1 ILE 62 -7.283 -4.278 -2.103 482 H TYR 63 H TYR 63 -1.631 -3.293 -4.009 483 HA TYR 63 HA TYR 63 -0.051 -1.949 -1.953 484 1HB TYR 63 1HB TYR 63 1.659 -3.465 -2.130 485 2HB TYR 63 2HB TYR 63 1.106 -4.061 -3.690 486 HD1 TYR 63 HD1 TYR 63 1.532 -2.625 -5.758 487 HD2 TYR 63 HD2 TYR 63 3.439 -1.903 -1.979 488 HE1 TYR 63 HE1 TYR 63 3.277 -1.290 -6.898 489 HE2 TYR 63 HE2 TYR 63 5.187 -0.564 -3.119 490 HH TYR 63 HH TYR 63 6.143 -0.213 -5.243 491 H LEU 64 H LEU 64 0.882 0.037 -2.818 492 HA LEU 64 HA LEU 64 0.288 0.638 -5.659 493 1HB LEU 64 1HB LEU 64 -1.025 2.595 -5.157 494 2HB LEU 64 2HB LEU 64 -1.737 1.246 -4.271 495 HG LEU 64 HG LEU 64 0.223 2.262 -2.549 496 1HD1 LEU 64 1HD1 LEU 64 -1.280 4.460 -3.989 497 2HD1 LEU 64 2HD1 LEU 64 -0.555 4.680 -2.396 498 3HD1 LEU 64 3HD1 LEU 64 0.465 4.304 -3.784 499 1HD2 LEU 64 1HD2 LEU 64 -2.773 2.728 -2.658 500 2HD2 LEU 64 2HD2 LEU 64 -1.954 1.375 -1.878 501 3HD2 LEU 64 3HD2 LEU 64 -1.768 3.007 -1.236 502 H SER 65 H SER 65 0.889 3.224 -5.841 503 HA SER 65 HA SER 65 3.451 3.625 -4.368 504 1HB SER 65 1HB SER 65 3.191 2.996 -7.129 505 2HB SER 65 2HB SER 65 3.657 4.693 -7.026 506 HG SER 65 HG SER 65 5.543 3.618 -6.903 507 H GLY 66 H GLY 66 1.068 5.158 -6.556 508 1HA GLY 66 1HA GLY 66 0.932 7.478 -4.754 509 2HA GLY 66 2HA GLY 66 1.593 7.818 -6.353 510 H GLY 67 H GLY 67 -0.798 9.019 -5.516 511 1HA GLY 67 1HA GLY 67 -2.528 8.832 -7.620 512 2HA GLY 67 2HA GLY 67 -3.049 7.484 -6.609 513 H ILE 68 H ILE 68 -5.055 9.019 -6.690 514 HA ILE 68 HA ILE 68 -4.835 11.042 -4.498 515 HB ILE 68 HB ILE 68 -6.704 10.810 -6.866 516 1HG1 ILE 68 1HG1 ILE 68 -5.785 13.433 -6.477 517 2HG1 ILE 68 2HG1 ILE 68 -4.391 12.412 -6.124 518 1HG2 ILE 68 1HG2 ILE 68 -6.976 12.566 -4.406 519 2HG2 ILE 68 2HG2 ILE 68 -7.905 12.774 -5.890 520 3HG2 ILE 68 3HG2 ILE 68 -8.099 11.311 -4.926 521 1HD1 ILE 68 1HD1 ILE 68 -5.807 11.431 -8.455 522 2HD1 ILE 68 2HD1 ILE 68 -5.353 13.121 -8.669 523 3HD1 ILE 68 3HD1 ILE 68 -4.119 11.916 -8.304 524 H LEU 69 H LEU 69 -5.954 10.624 -2.636 525 HA LEU 69 HA LEU 69 -7.878 8.335 -2.697 526 1HB LEU 69 1HB LEU 69 -6.063 7.662 -1.332 527 2HB LEU 69 2HB LEU 69 -5.904 9.260 -0.608 528 HG LEU 69 HG LEU 69 -8.474 7.756 -0.252 529 1HD1 LEU 69 1HD1 LEU 69 -6.333 6.333 0.302 530 2HD1 LEU 69 2HD1 LEU 69 -6.215 7.403 1.699 531 3HD1 LEU 69 3HD1 LEU 69 -7.652 6.406 1.470 532 1HD2 LEU 69 1HD2 LEU 69 -7.315 10.179 0.659 533 2HD2 LEU 69 2HD2 LEU 69 -8.857 9.478 1.151 534 3HD2 LEU 69 3HD2 LEU 69 -7.389 9.103 2.055 535 H GLU 70 H GLU 70 -9.915 8.695 -1.868 536 HA GLU 70 HA GLU 70 -10.422 11.153 -0.298 537 1HB GLU 70 1HB GLU 70 -12.211 11.911 -1.756 538 2HB GLU 70 2HB GLU 70 -10.743 11.750 -2.718 539 1HG GLU 70 1HG GLU 70 -11.486 9.774 -3.754 540 2HG GLU 70 2HG GLU 70 -12.687 9.460 -2.501 541 H VAL 71 H VAL 71 -12.190 10.911 1.098 542 HA VAL 71 HA VAL 71 -13.296 8.153 1.223 543 HB VAL 71 HB VAL 71 -12.263 8.966 3.275 544 1HG1 VAL 71 1HG1 VAL 71 -13.794 11.386 2.559 545 2HG1 VAL 71 2HG1 VAL 71 -13.837 10.974 4.274 546 3HG1 VAL 71 3HG1 VAL 71 -12.290 11.234 3.467 547 1HG2 VAL 71 1HG2 VAL 71 -14.751 7.853 3.097 548 2HG2 VAL 71 2HG2 VAL 71 -13.914 8.144 4.623 549 3HG2 VAL 71 3HG2 VAL 71 -15.104 9.305 4.034 550 H GLN 72 H GLN 72 -15.552 7.793 1.281 551 HA GLN 72 HA GLN 72 -17.245 10.171 0.630 552 1HB GLN 72 1HB GLN 72 -16.748 7.784 -0.938 553 2HB GLN 72 2HB GLN 72 -18.460 7.916 -0.533 554 1HG GLN 72 1HG GLN 72 -18.745 9.629 -1.968 555 2HG GLN 72 2HG GLN 72 -17.372 10.500 -1.284 556 1HE2 GLN 72 2HE2 GLN 72 -18.362 9.518 -4.193 557 2HE2 GLN 72 1HE2 GLN 72 -16.895 9.043 -4.901 558 HA PRO 73 HA PRO 73 -20.050 8.713 3.666 559 1HB PRO 73 1HB PRO 73 -22.482 9.231 2.496 560 2HB PRO 73 2HB PRO 73 -21.415 10.492 3.137 561 1HG PRO 73 1HG PRO 73 -21.959 9.759 0.298 562 2HG PRO 73 2HG PRO 73 -21.439 11.311 0.977 563 1HD PRO 73 1HD PRO 73 -19.778 9.432 -0.342 564 2HD PRO 73 2HD PRO 73 -19.230 10.829 0.610 565 H GLY 74 H GLY 74 -19.359 6.370 3.191 566 1HA GLY 74 1HA GLY 74 -20.773 4.303 3.421 567 2HA GLY 74 2HA GLY 74 -21.663 4.869 2.010 568 H ASN 75 H ASN 75 -18.494 5.656 1.455 569 HA ASN 75 HA ASN 75 -17.352 3.123 0.729 570 1HB ASN 75 1HB ASN 75 -17.578 3.701 -1.843 571 2HB ASN 75 2HB ASN 75 -18.854 2.807 -1.015 572 1HD2 ASN 75 2HD2 ASN 75 -20.738 3.602 -2.031 573 2HD2 ASN 75 1HD2 ASN 75 -21.150 5.247 -2.109 574 H VAL 76 H VAL 76 -15.401 3.469 -0.730 575 HA VAL 76 HA VAL 76 -14.433 6.289 -0.663 576 HB VAL 76 HB VAL 76 -12.128 5.083 -0.116 577 1HG1 VAL 76 1HG1 VAL 76 -14.151 6.434 1.397 578 2HG1 VAL 76 2HG1 VAL 76 -13.448 5.173 2.410 579 3HG1 VAL 76 3HG1 VAL 76 -12.411 6.401 1.684 580 1HG2 VAL 76 1HG2 VAL 76 -13.539 2.850 -0.137 581 2HG2 VAL 76 2HG2 VAL 76 -12.275 3.080 1.072 582 3HG2 VAL 76 3HG2 VAL 76 -13.964 3.342 1.503 583 H THR 77 H THR 77 -12.559 6.605 -2.173 584 HA THR 77 HA THR 77 -12.102 4.487 -4.158 585 HB THR 77 HB THR 77 -13.601 7.028 -4.831 586 HG1 THR 77 HG1 THR 77 -15.134 5.629 -5.486 587 1HG2 THR 77 1HG2 THR 77 -12.186 5.071 -6.660 588 2HG2 THR 77 2HG2 THR 77 -13.354 6.273 -7.209 589 3HG2 THR 77 3HG2 THR 77 -11.836 6.791 -6.477 590 H VAL 78 H VAL 78 -10.104 4.729 -5.091 591 HA VAL 78 HA VAL 78 -8.774 7.387 -4.936 592 HB VAL 78 HB VAL 78 -6.763 6.444 -3.993 593 1HG1 VAL 78 1HG1 VAL 78 -9.145 6.648 -2.610 594 2HG1 VAL 78 2HG1 VAL 78 -8.595 5.026 -2.186 595 3HG1 VAL 78 3HG1 VAL 78 -7.560 6.419 -1.871 596 1HG2 VAL 78 1HG2 VAL 78 -7.929 3.989 -4.979 597 2HG2 VAL 78 2HG2 VAL 78 -6.272 4.294 -4.458 598 3HG2 VAL 78 3HG2 VAL 78 -7.491 3.808 -3.280 599 H LEU 79 H LEU 79 -7.200 7.693 -6.599 600 HA LEU 79 HA LEU 79 -7.249 5.566 -8.705 601 1HB LEU 79 1HB LEU 79 -6.584 8.429 -9.312 602 2HB LEU 79 2HB LEU 79 -7.317 7.210 -10.354 603 HG LEU 79 HG LEU 79 -9.208 7.348 -8.426 604 1HD1 LEU 79 1HD1 LEU 79 -7.631 9.877 -8.330 605 2HD1 LEU 79 2HD1 LEU 79 -9.388 10.021 -8.274 606 3HD1 LEU 79 3HD1 LEU 79 -8.541 9.070 -7.052 607 1HD2 LEU 79 1HD2 LEU 79 -8.794 8.924 -10.959 608 2HD2 LEU 79 2HD2 LEU 79 -9.889 7.574 -10.662 609 3HD2 LEU 79 3HD2 LEU 79 -10.252 9.167 -9.995 610 H ALA 80 H ALA 80 -5.316 4.575 -8.966 611 HA ALA 80 HA ALA 80 -2.846 6.155 -8.364 612 1HB ALA 80 1HB ALA 80 -3.631 3.359 -7.607 613 2HB ALA 80 2HB ALA 80 -1.928 3.723 -7.886 614 3HB ALA 80 3HB ALA 80 -2.821 4.592 -6.640 615 H ASP 81 H ASP 81 -0.909 4.620 -9.373 616 HA ASP 81 HA ASP 81 -1.743 4.081 -12.197 617 1HB ASP 81 1HB ASP 81 1.052 4.935 -11.533 618 2HB ASP 81 2HB ASP 81 0.129 5.188 -13.014 619 H THR 82 H THR 82 0.813 3.377 -9.789 620 HA THR 82 HA THR 82 1.246 0.757 -11.129 621 HB THR 82 HB THR 82 2.841 2.263 -9.037 622 HG1 THR 82 HG1 THR 82 4.379 2.022 -10.884 623 1HG2 THR 82 1HG2 THR 82 2.890 -0.558 -9.916 624 2HG2 THR 82 2HG2 THR 82 4.458 0.249 -9.888 625 3HG2 THR 82 3HG2 THR 82 3.481 0.167 -8.422 626 H ALA 83 H ALA 83 0.385 -1.057 -10.215 627 HA ALA 83 HA ALA 83 -0.195 -1.025 -7.292 628 1HB ALA 83 1HB ALA 83 -2.246 -0.469 -8.758 629 2HB ALA 83 2HB ALA 83 -2.170 -2.152 -9.278 630 3HB ALA 83 3HB ALA 83 -2.428 -1.766 -7.576 631 H ILE 84 H ILE 84 -0.179 -3.119 -6.329 632 HA ILE 84 HA ILE 84 0.687 -5.350 -8.102 633 HB ILE 84 HB ILE 84 1.934 -4.461 -5.487 634 1HG1 ILE 84 1HG1 ILE 84 3.106 -4.915 -8.251 635 2HG1 ILE 84 2HG1 ILE 84 2.702 -3.335 -7.579 636 1HG2 ILE 84 1HG2 ILE 84 1.540 -6.978 -5.739 637 2HG2 ILE 84 2HG2 ILE 84 2.671 -6.914 -7.090 638 3HG2 ILE 84 3HG2 ILE 84 3.207 -6.472 -5.469 639 1HD1 ILE 84 1HD1 ILE 84 4.266 -3.771 -5.690 640 2HD1 ILE 84 2HD1 ILE 84 4.715 -5.300 -6.445 641 3HD1 ILE 84 3HD1 ILE 84 5.085 -3.776 -7.251 642 H ARG 85 H ARG 85 -0.683 -7.050 -7.807 643 HA ARG 85 HA ARG 85 -2.633 -7.043 -5.665 644 1HB ARG 85 1HB ARG 85 -1.887 -9.153 -7.710 645 2HB ARG 85 2HB ARG 85 -3.252 -9.291 -6.599 646 1HG ARG 85 1HG ARG 85 -3.788 -6.856 -7.581 647 2HG ARG 85 2HG ARG 85 -2.904 -7.505 -8.963 648 1HD ARG 85 1HD ARG 85 -5.088 -9.116 -7.656 649 2HD ARG 85 2HD ARG 85 -5.480 -7.881 -8.853 650 HE ARG 85 HE ARG 85 -3.636 -9.269 -10.226 651 1HH1 ARG 85 1HH2 ARG 85 -6.726 -9.792 -10.215 652 2HH1 ARG 85 2HH2 ARG 85 -6.726 -11.522 -10.144 653 1HH2 ARG 85 1HH1 ARG 85 -3.385 -11.748 -9.245 654 2HH2 ARG 85 2HH1 ARG 85 -4.834 -12.629 -9.593 655 H GLY 86 H GLY 86 -1.409 -7.105 -3.716 656 1HA GLY 86 1HA GLY 86 -0.191 -8.108 -1.975 657 2HA GLY 86 2HA GLY 86 -0.998 -9.584 -2.506 658 H GLN 87 H GLN 87 0.454 -11.173 -2.861 659 HA GLN 87 HA GLN 87 3.188 -10.429 -3.774 660 1HB GLN 87 1HB GLN 87 3.644 -12.887 -3.189 661 2HB GLN 87 2HB GLN 87 3.278 -11.811 -1.841 662 1HG GLN 87 1HG GLN 87 0.970 -13.157 -3.160 663 2HG GLN 87 2HG GLN 87 2.022 -14.162 -2.164 664 1HE2 GLN 87 2HE2 GLN 87 -0.821 -12.795 -1.795 665 2HE2 GLN 87 1HE2 GLN 87 -0.709 -12.154 -0.228 666 H ASP 88 H ASP 88 1.466 -10.142 -5.825 667 HA ASP 88 HA ASP 88 0.998 -12.576 -7.325 668 1HB ASP 88 1HB ASP 88 0.048 -10.034 -7.518 669 2HB ASP 88 2HB ASP 88 1.248 -10.025 -8.813 670 H LEU 89 H LEU 89 3.550 -10.119 -7.287 671 HA LEU 89 HA LEU 89 5.307 -12.017 -8.725 672 1HB LEU 89 1HB LEU 89 4.063 -9.881 -10.068 673 2HB LEU 89 2HB LEU 89 5.715 -9.342 -9.766 674 HG LEU 89 HG LEU 89 5.758 -12.098 -10.587 675 1HD1 LEU 89 1HD1 LEU 89 4.172 -10.185 -12.312 676 2HD1 LEU 89 2HD1 LEU 89 4.956 -11.624 -12.963 677 3HD1 LEU 89 3HD1 LEU 89 3.690 -11.784 -11.746 678 1HD2 LEU 89 1HD2 LEU 89 7.252 -9.770 -10.886 679 2HD2 LEU 89 2HD2 LEU 89 7.602 -11.323 -11.646 680 3HD2 LEU 89 3HD2 LEU 89 6.676 -10.102 -12.520 681 H ASP 90 H ASP 90 7.617 -10.962 -8.812 682 HA ASP 90 HA ASP 90 9.439 -10.253 -7.514 683 1HB ASP 90 1HB ASP 90 7.491 -8.116 -7.604 684 2HB ASP 90 2HB ASP 90 8.356 -8.089 -6.066 685 H GLU 91 H GLU 91 7.978 -12.340 -6.341 686 HA GLU 91 HA GLU 91 7.341 -11.680 -3.572 687 1HB GLU 91 1HB GLU 91 7.744 -14.337 -4.981 688 2HB GLU 91 2HB GLU 91 7.197 -14.172 -3.312 689 1HG GLU 91 1HG GLU 91 5.320 -12.694 -4.208 690 2HG GLU 91 2HG GLU 91 5.790 -13.236 -5.821 691 H ALA 92 H ALA 92 9.610 -14.227 -4.565 692 HA ALA 92 HA ALA 92 11.327 -13.671 -2.291 693 1HB ALA 92 1HB ALA 92 10.924 -15.853 -3.922 694 2HB ALA 92 2HB ALA 92 12.483 -15.254 -4.489 695 3HB ALA 92 3HB ALA 92 12.267 -15.680 -2.792 696 H ARG 93 H ARG 93 10.977 -12.206 -5.299 697 HA ARG 93 HA ARG 93 13.821 -11.529 -5.649 698 1HB ARG 93 1HB ARG 93 11.377 -10.476 -7.108 699 2HB ARG 93 2HB ARG 93 13.059 -10.283 -7.609 700 1HG ARG 93 1HG ARG 93 13.280 -12.524 -8.207 701 2HG ARG 93 2HG ARG 93 11.986 -13.044 -7.127 702 1HD ARG 93 1HD ARG 93 10.300 -12.320 -8.593 703 2HD ARG 93 2HD ARG 93 11.389 -11.238 -9.461 704 HE ARG 93 HE ARG 93 11.965 -13.057 -10.838 705 1HH1 ARG 93 1HH2 ARG 93 9.444 -14.464 -10.278 706 2HH1 ARG 93 2HH2 ARG 93 9.975 -15.984 -9.641 707 1HH2 ARG 93 1HH1 ARG 93 13.191 -14.880 -8.964 708 2HH2 ARG 93 2HH1 ARG 93 12.096 -16.221 -8.901 709 H ALA 94 H ALA 94 11.711 -10.588 -3.419 710 HA ALA 94 HA ALA 94 12.097 -7.667 -3.663 711 1HB ALA 94 1HB ALA 94 9.943 -8.769 -2.816 712 2HB ALA 94 2HB ALA 94 10.841 -9.160 -1.350 713 3HB ALA 94 3HB ALA 94 10.598 -7.475 -1.812 714 H MET 95 H MET 95 13.154 -10.393 -1.677 715 HA MET 95 HA MET 95 14.598 -8.913 0.287 716 1HB MET 95 1HB MET 95 14.445 -11.697 -0.645 717 2HB MET 95 2HB MET 95 16.030 -11.253 -0.016 718 1HG MET 95 1HG MET 95 14.175 -10.115 1.769 719 2HG MET 95 2HG MET 95 13.567 -11.735 1.430 720 1HE MET 95 1HE MET 95 13.708 -13.060 2.889 721 2HE MET 95 2HE MET 95 15.083 -14.116 2.570 722 3HE MET 95 3HE MET 95 14.904 -13.341 4.150 723 H GLU 96 H GLU 96 15.528 -10.124 -2.919 724 HA GLU 96 HA GLU 96 18.302 -9.341 -2.689 725 1HB GLU 96 1HB GLU 96 16.505 -10.045 -5.010 726 2HB GLU 96 2HB GLU 96 18.164 -9.501 -5.266 727 1HG GLU 96 1HG GLU 96 17.843 -11.597 -3.205 728 2HG GLU 96 2HG GLU 96 17.467 -12.108 -4.851 729 H ALA 97 H ALA 97 15.386 -7.610 -3.294 730 HA ALA 97 HA ALA 97 16.411 -5.470 -4.894 731 1HB ALA 97 1HB ALA 97 13.948 -6.125 -3.803 732 2HB ALA 97 2HB ALA 97 14.397 -4.662 -2.924 733 3HB ALA 97 3HB ALA 97 14.314 -4.643 -4.686 734 H LYS 98 H LYS 98 15.984 -5.697 -1.342 735 HA LYS 98 HA LYS 98 17.126 -3.200 -0.684 736 1HB LYS 98 1HB LYS 98 15.982 -4.645 0.960 737 2HB LYS 98 2HB LYS 98 17.313 -5.799 0.869 738 1HG LYS 98 1HG LYS 98 18.871 -4.174 1.755 739 2HG LYS 98 2HG LYS 98 17.654 -2.898 1.673 740 1HD LYS 98 1HD LYS 98 17.422 -3.477 3.894 741 2HD LYS 98 2HD LYS 98 16.287 -4.627 3.186 742 1HE LYS 98 1HE LYS 98 18.734 -5.924 2.971 743 2HE LYS 98 2HE LYS 98 18.829 -5.129 4.543 744 1HZ LYS 98 1HZ LYS 98 16.584 -6.843 3.626 745 2HZ LYS 98 2HZ LYS 98 17.818 -7.333 4.685 746 3HZ LYS 98 3HZ LYS 98 16.732 -6.118 5.155 747 H ARG 99 H ARG 99 18.632 -6.041 -1.933 748 HA ARG 99 HA ARG 99 21.294 -5.509 -0.903 749 1HB ARG 99 1HB ARG 99 20.014 -7.460 -2.668 750 2HB ARG 99 2HB ARG 99 21.619 -6.991 -3.231 751 1HG ARG 99 1HG ARG 99 22.053 -7.282 -0.541 752 2HG ARG 99 2HG ARG 99 20.843 -8.532 -0.837 753 1HD ARG 99 1HD ARG 99 23.062 -8.324 -2.810 754 2HD ARG 99 2HD ARG 99 23.473 -8.959 -1.218 755 HE ARG 99 HE ARG 99 21.099 -10.215 -2.342 756 1HH1 ARG 99 1HH1 ARG 99 24.400 -10.009 -3.125 757 2HH1 ARG 99 2HH1 ARG 99 24.652 -11.721 -3.190 758 1HH2 ARG 99 1HH2 ARG 99 21.469 -12.498 -2.052 759 2HH2 ARG 99 2HH2 ARG 99 22.992 -13.132 -2.582 760 H LYS 100 H LYS 100 19.672 -4.900 -4.027 761 HA LYS 100 HA LYS 100 22.008 -3.500 -5.087 762 1HB LYS 100 1HB LYS 100 19.155 -3.596 -6.116 763 2HB LYS 100 2HB LYS 100 20.557 -3.010 -7.010 764 1HG LYS 100 1HG LYS 100 21.600 -5.247 -6.831 765 2HG LYS 100 2HG LYS 100 20.179 -5.832 -5.965 766 1HD LYS 100 1HD LYS 100 19.163 -4.598 -8.272 767 2HD LYS 100 2HD LYS 100 20.571 -5.510 -8.821 768 1HE LYS 100 1HE LYS 100 19.558 -7.501 -8.459 769 2HE LYS 100 2HE LYS 100 18.929 -6.987 -6.893 770 1HZ LYS 100 1HZ LYS 100 17.413 -5.523 -8.459 771 2HZ LYS 100 2HZ LYS 100 17.716 -6.797 -9.540 772 3HZ LYS 100 3HZ LYS 100 16.994 -7.111 -8.036 773 H ALA 101 H ALA 101 19.265 -2.668 -3.166 774 HA ALA 101 HA ALA 101 19.417 0.197 -3.842 775 1HB ALA 101 1HB ALA 101 17.797 -1.266 -1.734 776 2HB ALA 101 2HB ALA 101 17.626 0.439 -2.150 777 3HB ALA 101 3HB ALA 101 17.221 -0.803 -3.335 778 H GLU 102 H GLU 102 20.752 -2.028 -1.568 779 HA GLU 102 HA GLU 102 21.352 -0.126 0.527 780 1HB GLU 102 1HB GLU 102 21.317 -2.531 0.985 781 2HB GLU 102 2HB GLU 102 22.623 -2.791 -0.172 782 1HG GLU 102 1HG GLU 102 24.186 -1.586 1.181 783 2HG GLU 102 2HG GLU 102 22.905 -0.969 2.225 784 H GLU 103 H GLU 103 22.885 -1.059 -2.480 785 HA GLU 103 HA GLU 103 25.515 -0.104 -1.986 786 1HB GLU 103 1HB GLU 103 25.757 0.009 -4.393 787 2HB GLU 103 2HB GLU 103 24.767 -1.402 -4.012 788 1HG GLU 103 1HG GLU 103 22.762 0.267 -4.282 789 2HG GLU 103 2HG GLU 103 23.927 1.232 -5.190 790 H HIS 104 H HIS 104 22.534 1.600 -2.761 791 HA HIS 104 HA HIS 104 23.917 4.141 -3.237 792 1HB HIS 104 1HB HIS 104 20.967 3.590 -2.791 793 2HB HIS 104 2HB HIS 104 21.664 5.080 -3.429 794 HD1 HIS 104 HD1 HIS 104 19.696 3.002 -4.959 795 HD2 HIS 104 HD2 HIS 104 23.803 3.437 -5.520 796 HE1 HIS 104 HE1 HIS 104 20.201 2.112 -7.276 797 H ILE 105 H ILE 105 22.021 2.657 -0.620 798 HA ILE 105 HA ILE 105 22.384 5.027 1.086 799 HB ILE 105 HB ILE 105 21.145 2.306 1.595 800 1HG1 ILE 105 1HG1 ILE 105 19.558 4.794 1.757 801 2HG1 ILE 105 2HG1 ILE 105 20.165 4.415 0.145 802 1HG2 ILE 105 1HG2 ILE 105 21.657 4.666 3.379 803 2HG2 ILE 105 2HG2 ILE 105 20.203 3.698 3.623 804 3HG2 ILE 105 3HG2 ILE 105 21.794 2.946 3.741 805 1HD1 ILE 105 1HD1 ILE 105 19.169 2.017 1.413 806 2HD1 ILE 105 2HD1 ILE 105 17.929 3.271 1.433 807 3HD1 ILE 105 3HD1 ILE 105 18.649 2.769 -0.097 808 H SER 106 H SER 106 24.553 2.952 0.084 809 HA SER 106 HA SER 106 25.745 2.443 2.769 810 1HB SER 106 1HB SER 106 26.196 1.091 0.098 811 2HB SER 106 2HB SER 106 27.196 0.795 1.518 812 HG SER 106 HG SER 106 25.667 -0.419 2.279 813 H SER 107 H SER 107 27.276 3.874 3.285 814 HA SER 107 HA SER 107 29.295 5.088 3.078 815 1HB SER 107 1HB SER 107 29.405 3.418 0.851 816 2HB SER 107 2HB SER 107 29.542 5.035 0.169 817 HG SER 107 HG SER 107 31.332 3.604 1.602 818 H SER 108 H SER 108 29.989 7.184 1.872 819 HA SER 108 HA SER 108 29.427 9.296 0.972 820 1HB SER 108 1HB SER 108 27.622 7.605 -0.299 821 2HB SER 108 2HB SER 108 26.586 8.791 0.488 822 HG SER 108 HG SER 108 28.876 9.699 -0.826 823 H HIS 109 H HIS 109 27.720 11.095 1.528 824 HA HIS 109 HA HIS 109 26.061 10.699 3.859 825 1HB HIS 109 1HB HIS 109 27.576 12.331 5.253 826 2HB HIS 109 2HB HIS 109 27.954 10.608 5.229 827 HD1 HIS 109 HD1 HIS 109 30.009 9.849 3.819 828 HD2 HIS 109 HD2 HIS 109 29.424 13.976 3.853 829 HE1 HIS 109 HE1 HIS 109 32.122 10.880 2.877 830 H GLY 110 H GLY 110 24.519 12.248 3.674 831 1HA GLY 110 1HA GLY 110 25.038 15.025 3.321 832 2HA GLY 110 2HA GLY 110 24.633 14.335 1.748 833 H ASP 111 H ASP 111 22.921 16.211 2.765 834 HA ASP 111 HA ASP 111 20.799 15.123 4.381 835 1HB ASP 111 1HB ASP 111 21.298 17.577 2.832 836 2HB ASP 111 2HB ASP 111 19.602 17.095 2.873 837 H VAL 112 H VAL 112 21.314 15.373 0.875 838 HA VAL 112 HA VAL 112 19.021 13.483 0.527 839 HB VAL 112 HB VAL 112 18.547 14.558 -1.625 840 1HG1 VAL 112 1HG1 VAL 112 18.205 15.730 0.941 841 2HG1 VAL 112 2HG1 VAL 112 18.584 17.042 -0.176 842 3HG1 VAL 112 3HG1 VAL 112 17.214 15.978 -0.498 843 1HG2 VAL 112 1HG2 VAL 112 21.188 15.596 -1.239 844 2HG2 VAL 112 2HG2 VAL 112 20.151 15.754 -2.657 845 3HG2 VAL 112 3HG2 VAL 112 20.075 16.959 -1.370 846 H ASP 113 H ASP 113 22.339 14.014 0.136 847 HA ASP 113 HA ASP 113 23.049 12.800 -2.273 848 1HB ASP 113 1HB ASP 113 24.270 12.886 0.452 849 2HB ASP 113 2HB ASP 113 24.949 11.746 -0.712 850 H TYR 114 H TYR 114 23.748 10.675 0.411 851 HA TYR 114 HA TYR 114 22.648 8.412 -1.063 852 1HB TYR 114 1HB TYR 114 23.630 7.058 0.602 853 2HB TYR 114 2HB TYR 114 24.706 8.453 0.546 854 HD1 TYR 114 HD1 TYR 114 21.804 6.984 2.366 855 HD2 TYR 114 HD2 TYR 114 25.007 9.847 2.456 856 HE1 TYR 114 HE1 TYR 114 21.344 7.424 4.761 857 HE2 TYR 114 HE2 TYR 114 24.543 10.286 4.854 858 HH TYR 114 HH TYR 114 23.478 9.015 6.781 859 H ALA 115 H ALA 115 21.551 10.638 1.313 860 HA ALA 115 HA ALA 115 19.512 9.097 2.585 861 1HB ALA 115 1HB ALA 115 20.357 11.858 2.465 862 2HB ALA 115 2HB ALA 115 18.597 11.764 2.353 863 3HB ALA 115 3HB ALA 115 19.434 11.040 3.727 864 H GLN 116 H GLN 116 19.780 10.363 -0.602 865 HA GLN 116 HA GLN 116 16.964 10.634 -1.182 866 1HB GLN 116 1HB GLN 116 19.499 10.763 -2.647 867 2HB GLN 116 2HB GLN 116 18.199 10.035 -3.595 868 1HG GLN 116 1HG GLN 116 16.787 12.059 -2.671 869 2HG GLN 116 2HG GLN 116 18.371 12.795 -2.423 870 1HE2 GLN 116 2HE2 GLN 116 16.023 11.854 -4.846 871 2HE2 GLN 116 1HE2 GLN 116 16.888 12.429 -6.189 872 H ALA 117 H ALA 117 19.288 7.974 -1.395 873 HA ALA 117 HA ALA 117 17.476 6.174 -2.773 874 1HB ALA 117 1HB ALA 117 20.159 6.027 -1.533 875 2HB ALA 117 2HB ALA 117 19.241 4.522 -1.501 876 3HB ALA 117 3HB ALA 117 19.575 5.318 -3.038 877 H SER 118 H SER 118 17.979 7.106 0.546 878 HA SER 118 HA SER 118 16.804 4.809 1.806 879 1HB SER 118 1HB SER 118 17.411 7.619 2.596 880 2HB SER 118 2HB SER 118 16.231 6.749 3.572 881 HG SER 118 HG SER 118 18.936 6.441 3.390 882 H ALA 119 H ALA 119 15.450 7.583 0.169 883 HA ALA 119 HA ALA 119 12.760 7.156 1.266 884 1HB ALA 119 1HB ALA 119 13.895 9.373 0.341 885 2HB ALA 119 2HB ALA 119 13.258 8.788 -1.196 886 3HB ALA 119 3HB ALA 119 12.164 9.101 0.151 887 H GLU 120 H GLU 120 14.558 6.335 -1.658 888 HA GLU 120 HA GLU 120 12.161 5.247 -2.971 889 1HB GLU 120 1HB GLU 120 13.600 4.781 -4.830 890 2HB GLU 120 2HB GLU 120 14.109 6.347 -4.198 891 1HG GLU 120 1HG GLU 120 16.189 5.473 -4.077 892 2HG GLU 120 2HG GLU 120 15.596 4.537 -2.703 893 H LEU 121 H LEU 121 14.332 4.182 -0.628 894 HA LEU 121 HA LEU 121 14.361 1.364 -1.456 895 1HB LEU 121 1HB LEU 121 16.282 2.304 -0.239 896 2HB LEU 121 2HB LEU 121 15.235 2.696 1.126 897 HG LEU 121 HG LEU 121 15.219 -0.122 0.150 898 1HD1 LEU 121 1HD1 LEU 121 17.662 0.937 0.427 899 2HD1 LEU 121 2HD1 LEU 121 17.322 0.633 2.130 900 3HD1 LEU 121 3HD1 LEU 121 17.296 -0.699 0.974 901 1HD2 LEU 121 1HD2 LEU 121 14.335 1.400 2.412 902 2HD2 LEU 121 2HD2 LEU 121 14.070 -0.312 2.080 903 3HD2 LEU 121 3HD2 LEU 121 15.502 0.202 2.973 904 H ALA 122 H ALA 122 13.098 3.092 1.423 905 HA ALA 122 HA ALA 122 11.591 1.052 2.556 906 1HB ALA 122 1HB ALA 122 11.440 3.993 2.519 907 2HB ALA 122 2HB ALA 122 9.901 3.201 2.860 908 3HB ALA 122 3HB ALA 122 11.305 2.877 3.878 909 H LYS 123 H LYS 123 10.919 2.826 -0.387 910 HA LYS 123 HA LYS 123 8.152 2.240 -0.671 911 1HB LYS 123 1HB LYS 123 9.248 3.820 -2.155 912 2HB LYS 123 2HB LYS 123 10.314 2.556 -2.774 913 1HG LYS 123 1HG LYS 123 8.713 1.705 -4.147 914 2HG LYS 123 2HG LYS 123 7.433 1.935 -2.955 915 1HD LYS 123 1HD LYS 123 6.743 3.677 -4.215 916 2HD LYS 123 2HD LYS 123 8.175 4.530 -3.637 917 1HE LYS 123 1HE LYS 123 8.621 2.654 -5.890 918 2HE LYS 123 2HE LYS 123 7.670 4.091 -6.266 919 1HZ LYS 123 1HZ LYS 123 10.133 4.398 -4.705 920 2HZ LYS 123 2HZ LYS 123 10.262 4.142 -6.379 921 3HZ LYS 123 3HZ LYS 123 9.400 5.480 -5.786 922 H ALA 124 H ALA 124 10.978 0.420 -1.919 923 HA ALA 124 HA ALA 124 9.355 -1.755 -2.912 924 1HB ALA 124 1HB ALA 124 12.309 -1.660 -2.230 925 2HB ALA 124 2HB ALA 124 11.518 -2.946 -3.142 926 3HB ALA 124 3HB ALA 124 11.601 -1.315 -3.807 927 H ILE 125 H ILE 125 10.237 -0.842 0.230 928 HA ILE 125 HA ILE 125 10.468 -3.517 1.364 929 HB ILE 125 HB ILE 125 9.786 -0.950 2.821 930 1HG1 ILE 125 1HG1 ILE 125 11.787 -0.595 1.438 931 2HG1 ILE 125 2HG1 ILE 125 12.238 -0.711 3.139 932 1HG2 ILE 125 1HG2 ILE 125 10.833 -3.665 3.581 933 2HG2 ILE 125 2HG2 ILE 125 11.247 -2.258 4.561 934 3HG2 ILE 125 3HG2 ILE 125 9.557 -2.714 4.342 935 1HD1 ILE 125 1HD1 ILE 125 12.284 -3.090 1.271 936 2HD1 ILE 125 2HD1 ILE 125 13.687 -2.056 1.535 937 3HD1 ILE 125 3HD1 ILE 125 12.999 -2.966 2.879 938 H ALA 126 H ALA 126 7.873 -1.730 0.172 939 HA ALA 126 HA ALA 126 5.903 -2.790 2.095 940 1HB ALA 126 1HB ALA 126 5.872 -0.488 0.780 941 2HB ALA 126 2HB ALA 126 5.117 -1.469 -0.476 942 3HB ALA 126 3HB ALA 126 4.371 -1.349 1.117 943 H GLN 127 H GLN 127 7.543 -4.025 -0.520 944 HA GLN 127 HA GLN 127 5.274 -5.529 -1.654 945 1HB GLN 127 1HB GLN 127 8.170 -6.085 -2.265 946 2HB GLN 127 2HB GLN 127 6.764 -6.258 -3.316 947 1HG GLN 127 1HG GLN 127 6.879 -3.530 -2.513 948 2HG GLN 127 2HG GLN 127 8.502 -3.993 -3.028 949 1HE2 GLN 127 2HE2 GLN 127 7.842 -2.401 -4.881 950 2HE2 GLN 127 1HE2 GLN 127 7.047 -3.085 -6.217 951 H LEU 128 H LEU 128 8.104 -6.087 0.403 952 HA LEU 128 HA LEU 128 7.552 -8.953 0.634 953 1HB LEU 128 1HB LEU 128 9.856 -7.843 0.818 954 2HB LEU 128 2HB LEU 128 9.353 -7.313 2.423 955 HG LEU 128 HG LEU 128 8.678 -9.893 2.641 956 1HD1 LEU 128 1HD1 LEU 128 9.955 -9.845 0.155 957 2HD1 LEU 128 2HD1 LEU 128 11.176 -10.475 1.258 958 3HD1 LEU 128 3HD1 LEU 128 9.612 -11.279 1.123 959 1HD2 LEU 128 1HD2 LEU 128 10.722 -8.237 3.579 960 2HD2 LEU 128 2HD2 LEU 128 10.323 -9.842 4.194 961 3HD2 LEU 128 3HD2 LEU 128 11.572 -9.654 2.962 962 H ARG 129 H ARG 129 6.669 -6.032 2.312 963 HA ARG 129 HA ARG 129 5.996 -7.153 4.852 964 1HB ARG 129 1HB ARG 129 4.894 -4.772 3.339 965 2HB ARG 129 2HB ARG 129 4.404 -5.176 4.985 966 1HG ARG 129 1HG ARG 129 7.312 -4.870 4.232 967 2HG ARG 129 2HG ARG 129 6.334 -3.489 4.728 968 1HD ARG 129 1HD ARG 129 6.320 -5.961 6.426 969 2HD ARG 129 2HD ARG 129 7.693 -4.858 6.531 970 HE ARG 129 HE ARG 129 5.649 -3.119 6.835 971 1HH1 ARG 129 1HH1 ARG 129 6.744 -5.930 8.441 972 2HH1 ARG 129 2HH1 ARG 129 5.640 -5.780 9.769 973 1HH2 ARG 129 1HH2 ARG 129 3.970 -3.057 8.418 974 2HH2 ARG 129 2HH2 ARG 129 4.068 -4.156 9.753 975 H VAL 130 H VAL 130 4.080 -6.738 1.875 976 HA VAL 130 HA VAL 130 1.657 -7.833 2.984 977 HB VAL 130 HB VAL 130 0.918 -7.998 0.648 978 1HG1 VAL 130 1HG1 VAL 130 2.350 -5.563 1.632 979 2HG1 VAL 130 2HG1 VAL 130 1.735 -5.560 -0.021 980 3HG1 VAL 130 3HG1 VAL 130 0.629 -5.804 1.331 981 1HG2 VAL 130 1HG2 VAL 130 3.371 -8.737 -0.013 982 2HG2 VAL 130 2HG2 VAL 130 2.348 -7.894 -1.177 983 3HG2 VAL 130 3HG2 VAL 130 3.586 -7.007 -0.288 984 H ILE 131 H ILE 131 4.600 -9.273 2.182 985 HA ILE 131 HA ILE 131 3.416 -11.878 1.451 986 HB ILE 131 HB ILE 131 6.267 -10.897 1.721 987 1HG1 ILE 131 1HG1 ILE 131 4.706 -11.981 -0.645 988 2HG1 ILE 131 2HG1 ILE 131 4.929 -10.265 -0.308 989 1HG2 ILE 131 1HG2 ILE 131 5.157 -13.647 1.649 990 2HG2 ILE 131 2HG2 ILE 131 6.493 -13.333 0.542 991 3HG2 ILE 131 3HG2 ILE 131 6.704 -13.074 2.274 992 1HD1 ILE 131 1HD1 ILE 131 7.506 -11.159 -0.162 993 2HD1 ILE 131 2HD1 ILE 131 6.845 -12.237 -1.391 994 3HD1 ILE 131 3HD1 ILE 131 6.777 -10.490 -1.621 995 H GLU 132 H GLU 132 5.665 -10.682 3.979 996 HA GLU 132 HA GLU 132 5.403 -13.062 5.583 997 1HB GLU 132 1HB GLU 132 6.270 -10.273 6.407 998 2HB GLU 132 2HB GLU 132 6.541 -11.751 7.331 999 1HG GLU 132 1HG GLU 132 7.531 -11.415 4.493 1000 2HG GLU 132 2HG GLU 132 8.501 -10.961 5.894 1001 H LEU 133 H LEU 133 3.250 -10.520 5.000 1002 HA LEU 133 HA LEU 133 1.997 -10.611 7.670 1003 1HB LEU 133 1HB LEU 133 1.899 -8.854 5.369 1004 2HB LEU 133 2HB LEU 133 0.270 -9.318 5.858 1005 HG LEU 133 HG LEU 133 1.548 -8.832 8.274 1006 1HD1 LEU 133 1HD1 LEU 133 2.692 -7.151 6.094 1007 2HD1 LEU 133 2HD1 LEU 133 2.267 -6.331 7.596 1008 3HD1 LEU 133 3HD1 LEU 133 3.419 -7.665 7.616 1009 1HD2 LEU 133 1HD2 LEU 133 -0.769 -8.177 7.309 1010 2HD2 LEU 133 2HD2 LEU 133 -0.027 -7.082 8.477 1011 3HD2 LEU 133 3HD2 LEU 133 0.036 -6.708 6.754 1012 H THR 134 H THR 134 1.117 -11.504 4.319 1013 HA THR 134 HA THR 134 -1.366 -12.755 5.082 1014 HB THR 134 HB THR 134 -0.850 -11.979 2.766 1015 HG1 THR 134 HG1 THR 134 -1.273 -14.771 2.807 1016 1HG2 THR 134 1HG2 THR 134 1.311 -13.970 3.128 1017 2HG2 THR 134 2HG2 THR 134 0.510 -13.994 1.557 1018 3HG2 THR 134 3HG2 THR 134 1.275 -12.513 2.135 1019 H LYS 135 H LYS 135 1.828 -13.668 5.615 1020 HA LYS 135 HA LYS 135 1.846 -16.453 5.158 1021 1HB LYS 135 1HB LYS 135 3.202 -14.666 7.158 1022 2HB LYS 135 2HB LYS 135 3.366 -16.417 7.302 1023 1HG LYS 135 1HG LYS 135 3.956 -14.864 4.767 1024 2HG LYS 135 2HG LYS 135 5.184 -15.353 5.936 1025 1HD LYS 135 1HD LYS 135 5.162 -17.508 5.231 1026 2HD LYS 135 2HD LYS 135 3.401 -17.544 5.120 1027 1HE LYS 135 1HE LYS 135 3.463 -17.184 2.896 1028 2HE LYS 135 2HE LYS 135 4.531 -15.795 3.097 1029 1HZ LYS 135 1HZ LYS 135 5.400 -18.635 3.116 1030 2HZ LYS 135 2HZ LYS 135 5.560 -17.574 1.799 1031 3HZ LYS 135 3HZ LYS 135 6.412 -17.279 3.240 1032 H LYS 136 H LYS 136 0.908 -14.743 8.171 1033 HA LYS 136 HA LYS 136 -0.270 -17.239 9.211 1034 1HB LYS 136 1HB LYS 136 -0.607 -14.573 10.549 1035 2HB LYS 136 2HB LYS 136 -0.390 -16.166 11.275 1036 1HG LYS 136 1HG LYS 136 1.962 -16.139 10.244 1037 2HG LYS 136 2HG LYS 136 1.696 -14.419 9.961 1038 1HD LYS 136 1HD LYS 136 1.862 -13.892 12.174 1039 2HD LYS 136 2HD LYS 136 1.034 -15.363 12.687 1040 1HE LYS 136 1HE LYS 136 3.163 -16.616 11.979 1041 2HE LYS 136 2HE LYS 136 3.937 -15.032 11.914 1042 1HZ LYS 136 1HZ LYS 136 2.414 -15.463 14.311 1043 2HZ LYS 136 2HZ LYS 136 3.687 -16.568 14.130 1044 3HZ LYS 136 3HZ LYS 136 4.005 -14.899 14.122 1045 H ALA 137 H ALA 137 -1.269 -14.593 7.315 1046 HA ALA 137 HA ALA 137 -3.883 -14.034 8.088 1047 1HB ALA 137 1HB ALA 137 -2.779 -14.485 5.303 1048 2HB ALA 137 2HB ALA 137 -4.384 -13.825 5.617 1049 3HB ALA 137 3HB ALA 137 -2.950 -12.946 6.146 1050 H MET 138 H MET 138 -2.679 -16.924 6.431 1051 HA MET 138 HA MET 138 -5.402 -18.124 6.721 1052 1HB MET 138 1HB MET 138 -3.132 -18.844 4.843 1053 2HB MET 138 2HB MET 138 -4.655 -19.726 4.960 1054 1HG MET 138 1HG MET 138 -4.608 -16.757 4.430 1055 2HG MET 138 2HG MET 138 -4.462 -17.923 3.115 1056 1HE MET 138 1HE MET 138 -6.247 -15.646 4.314 1057 2HE MET 138 2HE MET 138 -7.411 -16.012 3.042 1058 3HE MET 138 3HE MET 138 -7.914 -16.069 4.730 Start of MODEL 27 1 1H ALA 1 1H ALA 1 -23.645 0.086 11.826 2 2H ALA 1 2H ALA 1 -25.029 0.595 10.990 3 3H ALA 1 3H ALA 1 -24.588 -1.046 10.978 4 HA ALA 1 HA ALA 1 -23.613 -0.613 9.035 5 1HB ALA 1 1HB ALA 1 -23.558 2.298 9.889 6 2HB ALA 1 2HB ALA 1 -23.147 1.697 8.282 7 3HB ALA 1 3HB ALA 1 -24.797 1.544 8.886 8 H MET 2 H MET 2 -21.392 -0.406 8.295 9 HA MET 2 HA MET 2 -19.277 0.738 9.797 10 1HB MET 2 1HB MET 2 -20.315 -1.632 10.983 11 2HB MET 2 2HB MET 2 -18.739 -2.036 10.299 12 1HG MET 2 1HG MET 2 -18.099 0.317 11.416 13 2HG MET 2 2HG MET 2 -19.423 -0.134 12.489 14 1HE MET 2 1HE MET 2 -17.646 0.361 13.951 15 2HE MET 2 2HE MET 2 -17.059 -0.998 14.908 16 3HE MET 2 3HE MET 2 -15.996 -0.216 13.729 17 H THR 3 H THR 3 -19.578 0.782 7.162 18 HA THR 3 HA THR 3 -17.193 -0.267 6.070 19 HB THR 3 HB THR 3 -18.312 -2.491 6.390 20 HG1 THR 3 HG1 THR 3 -17.649 -3.169 4.471 21 1HG2 THR 3 1HG2 THR 3 -20.629 -1.558 6.057 22 2HG2 THR 3 2HG2 THR 3 -20.266 -1.451 4.335 23 3HG2 THR 3 3HG2 THR 3 -20.303 -3.025 5.133 24 H TYR 4 H TYR 4 -16.854 0.909 4.297 25 HA TYR 4 HA TYR 4 -19.218 2.011 2.843 26 1HB TYR 4 1HB TYR 4 -17.637 3.820 2.111 27 2HB TYR 4 2HB TYR 4 -17.892 3.792 3.854 28 HD1 TYR 4 HD1 TYR 4 -15.578 2.469 1.207 29 HD2 TYR 4 HD2 TYR 4 -16.053 3.656 5.307 30 HE1 TYR 4 HE1 TYR 4 -13.156 2.220 1.548 31 HE2 TYR 4 HE2 TYR 4 -13.609 3.398 5.658 32 HH TYR 4 HH TYR 4 -11.510 2.172 3.062 33 H HIS 5 H HIS 5 -17.765 2.818 0.544 34 HA HIS 5 HA HIS 5 -16.826 0.175 -0.488 35 1HB HIS 5 1HB HIS 5 -18.744 0.506 -1.762 36 2HB HIS 5 2HB HIS 5 -18.610 2.262 -1.687 37 HD1 HIS 5 HD1 HIS 5 -17.973 -0.525 -3.924 38 HD2 HIS 5 HD2 HIS 5 -16.230 3.194 -3.262 39 HE1 HIS 5 HE1 HIS 5 -16.514 -0.042 -5.938 40 H LEU 6 H LEU 6 -14.881 0.184 -1.678 41 HA LEU 6 HA LEU 6 -13.654 2.852 -2.043 42 1HB LEU 6 1HB LEU 6 -11.647 2.330 -1.026 43 2HB LEU 6 2HB LEU 6 -12.755 1.408 -0.021 44 HG LEU 6 HG LEU 6 -12.361 -0.483 -1.748 45 1HD1 LEU 6 1HD1 LEU 6 -10.396 1.582 -2.514 46 2HD1 LEU 6 2HD1 LEU 6 -9.724 -0.040 -2.345 47 3HD1 LEU 6 3HD1 LEU 6 -11.057 0.250 -3.463 48 1HD2 LEU 6 1HD2 LEU 6 -10.762 0.426 0.550 49 2HD2 LEU 6 2HD2 LEU 6 -11.461 -1.159 0.220 50 3HD2 LEU 6 3HD2 LEU 6 -9.920 -0.706 -0.509 51 H ASP 7 H ASP 7 -12.025 2.935 -3.759 52 HA ASP 7 HA ASP 7 -12.046 0.601 -5.597 53 1HB ASP 7 1HB ASP 7 -13.751 2.741 -6.014 54 2HB ASP 7 2HB ASP 7 -12.355 3.152 -7.011 55 H VAL 8 H VAL 8 -9.810 0.364 -5.089 56 HA VAL 8 HA VAL 8 -8.066 2.639 -5.936 57 HB VAL 8 HB VAL 8 -6.334 1.668 -4.563 58 1HG1 VAL 8 1HG1 VAL 8 -8.908 2.405 -3.546 59 2HG1 VAL 8 2HG1 VAL 8 -8.253 1.128 -2.521 60 3HG1 VAL 8 3HG1 VAL 8 -7.333 2.611 -2.780 61 1HG2 VAL 8 1HG2 VAL 8 -8.203 -0.691 -4.559 62 2HG2 VAL 8 2HG2 VAL 8 -6.470 -0.650 -4.885 63 3HG2 VAL 8 3HG2 VAL 8 -7.060 -0.475 -3.233 64 H VAL 9 H VAL 9 -6.390 2.223 -7.450 65 HA VAL 9 HA VAL 9 -5.854 -0.422 -8.490 66 HB VAL 9 HB VAL 9 -6.736 0.478 -10.876 67 1HG1 VAL 9 1HG1 VAL 9 -7.335 -1.588 -9.227 68 2HG1 VAL 9 2HG1 VAL 9 -8.874 -0.726 -9.208 69 3HG1 VAL 9 3HG1 VAL 9 -8.193 -1.280 -10.738 70 1HG2 VAL 9 1HG2 VAL 9 -7.710 2.477 -9.422 71 2HG2 VAL 9 2HG2 VAL 9 -8.636 1.809 -10.766 72 3HG2 VAL 9 3HG2 VAL 9 -9.008 1.323 -9.111 73 H SER 10 H SER 10 -4.113 -0.375 -10.020 74 HA SER 10 HA SER 10 -2.865 2.327 -10.339 75 1HB SER 10 1HB SER 10 -1.716 -0.319 -9.549 76 2HB SER 10 2HB SER 10 -0.714 0.767 -10.509 77 HG SER 10 HG SER 10 -1.555 2.376 -8.820 78 H ALA 11 H ALA 11 -2.608 2.926 -12.433 79 HA ALA 11 HA ALA 11 -2.548 2.778 -14.774 80 1HB ALA 11 1HB ALA 11 -0.462 1.407 -13.990 81 2HB ALA 11 2HB ALA 11 -1.419 0.003 -14.470 82 3HB ALA 11 3HB ALA 11 -1.009 1.241 -15.659 83 H GLU 12 H GLU 12 -4.880 1.677 -13.246 84 HA GLU 12 HA GLU 12 -6.899 0.618 -13.811 85 1HB GLU 12 1HB GLU 12 -5.651 0.223 -16.544 86 2HB GLU 12 2HB GLU 12 -7.369 0.223 -16.147 87 1HG GLU 12 1HG GLU 12 -7.414 2.441 -16.522 88 2HG GLU 12 2HG GLU 12 -6.327 2.657 -15.150 89 H GLN 13 H GLN 13 -5.866 -1.054 -12.307 90 HA GLN 13 HA GLN 13 -5.427 -3.599 -13.822 91 1HB GLN 13 1HB GLN 13 -3.535 -2.406 -12.282 92 2HB GLN 13 2HB GLN 13 -4.345 -3.397 -11.068 93 1HG GLN 13 1HG GLN 13 -4.077 -5.048 -13.338 94 2HG GLN 13 2HG GLN 13 -2.528 -4.220 -13.163 95 1HE2 GLN 13 2HE2 GLN 13 -1.434 -4.417 -11.008 96 2HE2 GLN 13 1HE2 GLN 13 -1.757 -5.765 -10.029 97 H GLN 14 H GLN 14 -5.565 -5.352 -11.663 98 HA GLN 14 HA GLN 14 -8.377 -4.925 -10.735 99 1HB GLN 14 1HB GLN 14 -7.429 -6.991 -12.272 100 2HB GLN 14 2HB GLN 14 -7.297 -7.669 -10.648 101 1HG GLN 14 1HG GLN 14 -9.764 -6.452 -10.561 102 2HG GLN 14 2HG GLN 14 -9.701 -7.038 -12.224 103 1HE2 GLN 14 2HE2 GLN 14 -10.146 -8.001 -8.927 104 2HE2 GLN 14 1HE2 GLN 14 -10.197 -9.676 -9.199 105 H MET 15 H MET 15 -7.529 -3.780 -8.842 106 HA MET 15 HA MET 15 -6.091 -5.541 -6.910 107 1HB MET 15 1HB MET 15 -6.400 -2.539 -7.107 108 2HB MET 15 2HB MET 15 -5.791 -3.327 -5.651 109 1HG MET 15 1HG MET 15 -4.600 -3.796 -8.393 110 2HG MET 15 2HG MET 15 -4.003 -2.561 -7.285 111 1HE MET 15 1HE MET 15 -1.881 -3.633 -7.791 112 2HE MET 15 2HE MET 15 -1.702 -3.278 -6.074 113 3HE MET 15 3HE MET 15 -1.149 -4.826 -6.708 114 H PHE 16 H PHE 16 -7.994 -2.766 -5.932 115 HA PHE 16 HA PHE 16 -9.944 -4.649 -4.665 116 1HB PHE 16 1HB PHE 16 -8.296 -3.432 -3.119 117 2HB PHE 16 2HB PHE 16 -9.162 -1.956 -3.540 118 HD1 PHE 16 HD1 PHE 16 -9.409 -5.227 -1.846 119 HD2 PHE 16 HD2 PHE 16 -11.446 -1.580 -2.807 120 HE1 PHE 16 HE1 PHE 16 -11.174 -5.771 -0.191 121 HE2 PHE 16 HE2 PHE 16 -13.202 -2.102 -1.162 122 HZ PHE 16 HZ PHE 16 -13.072 -4.211 0.153 123 H SER 17 H SER 17 -12.107 -4.135 -4.906 124 HA SER 17 HA SER 17 -13.037 -1.497 -5.641 125 1HB SER 17 1HB SER 17 -13.856 -2.129 -7.919 126 2HB SER 17 2HB SER 17 -12.099 -2.075 -7.812 127 HG SER 17 HG SER 17 -13.629 -4.100 -8.537 128 H GLY 18 H GLY 18 -14.666 -1.739 -4.126 129 1HA GLY 18 1HA GLY 18 -17.139 -2.744 -4.640 130 2HA GLY 18 2HA GLY 18 -16.298 -4.185 -4.064 131 H LEU 19 H LEU 19 -17.615 -4.276 -2.146 132 HA LEU 19 HA LEU 19 -17.919 -2.060 -0.357 133 1HB LEU 19 1HB LEU 19 -17.996 -5.023 0.276 134 2HB LEU 19 2HB LEU 19 -18.663 -3.729 1.274 135 HG LEU 19 HG LEU 19 -19.604 -4.701 -1.421 136 1HD1 LEU 19 1HD1 LEU 19 -20.627 -4.517 1.354 137 2HD1 LEU 19 2HD1 LEU 19 -21.794 -4.150 0.083 138 3HD1 LEU 19 3HD1 LEU 19 -20.972 -5.710 0.101 139 1HD2 LEU 19 1HD2 LEU 19 -19.308 -2.220 -1.559 140 2HD2 LEU 19 2HD2 LEU 19 -21.008 -2.694 -1.612 141 3HD2 LEU 19 3HD2 LEU 19 -20.320 -2.046 -0.123 142 H VAL 20 H VAL 20 -16.960 -2.165 1.978 143 HA VAL 20 HA VAL 20 -14.483 -3.400 2.539 144 HB VAL 20 HB VAL 20 -13.262 -2.406 0.845 145 1HG1 VAL 20 1HG1 VAL 20 -15.529 -0.504 0.840 146 2HG1 VAL 20 2HG1 VAL 20 -13.994 0.132 0.263 147 3HG1 VAL 20 3HG1 VAL 20 -14.711 -1.277 -0.511 148 1HG2 VAL 20 1HG2 VAL 20 -13.444 -0.186 2.899 149 2HG2 VAL 20 2HG2 VAL 20 -12.216 -1.458 2.801 150 3HG2 VAL 20 3HG2 VAL 20 -12.292 -0.200 1.569 151 H GLU 21 H GLU 21 -13.436 -2.336 4.457 152 HA GLU 21 HA GLU 21 -14.862 -0.040 5.612 153 1HB GLU 21 1HB GLU 21 -16.329 -1.913 6.240 154 2HB GLU 21 2HB GLU 21 -14.956 -2.758 6.952 155 1HG GLU 21 1HG GLU 21 -14.725 -0.395 8.233 156 2HG GLU 21 2HG GLU 21 -16.469 -0.412 7.974 157 H LYS 22 H LYS 22 -12.758 -2.759 6.668 158 HA LYS 22 HA LYS 22 -11.182 -0.830 8.242 159 1HB LYS 22 1HB LYS 22 -11.906 -3.442 8.660 160 2HB LYS 22 2HB LYS 22 -10.239 -3.608 8.108 161 1HG LYS 22 1HG LYS 22 -10.376 -3.327 10.566 162 2HG LYS 22 2HG LYS 22 -9.493 -2.009 9.800 163 1HD LYS 22 1HD LYS 22 -10.917 -0.554 10.757 164 2HD LYS 22 2HD LYS 22 -12.216 -1.247 9.786 165 1HE LYS 22 1HE LYS 22 -11.304 -2.481 12.392 166 2HE LYS 22 2HE LYS 22 -12.586 -1.272 12.312 167 1HZ LYS 22 1HZ LYS 22 -12.591 -3.794 10.750 168 2HZ LYS 22 2HZ LYS 22 -13.380 -3.604 12.243 169 3HZ LYS 22 3HZ LYS 22 -13.862 -2.680 10.902 170 H ILE 23 H ILE 23 -10.402 0.246 6.170 171 HA ILE 23 HA ILE 23 -8.233 -1.328 4.859 172 HB ILE 23 HB ILE 23 -8.366 0.123 3.033 173 1HG1 ILE 23 1HG1 ILE 23 -9.897 2.212 4.597 174 2HG1 ILE 23 2HG1 ILE 23 -8.135 2.201 4.573 175 1HG2 ILE 23 1HG2 ILE 23 -10.599 -1.085 3.714 176 2HG2 ILE 23 2HG2 ILE 23 -11.177 0.559 3.991 177 3HG2 ILE 23 3HG2 ILE 23 -10.604 0.082 2.392 178 1HD1 ILE 23 1HD1 ILE 23 -8.846 1.879 1.897 179 2HD1 ILE 23 2HD1 ILE 23 -9.991 3.072 2.507 180 3HD1 ILE 23 3HD1 ILE 23 -8.258 3.361 2.649 181 H GLN 24 H GLN 24 -6.060 -0.605 5.043 182 HA GLN 24 HA GLN 24 -5.544 1.871 6.574 183 1HB GLN 24 1HB GLN 24 -5.821 0.206 8.339 184 2HB GLN 24 2HB GLN 24 -4.674 -0.868 7.537 185 1HG GLN 24 1HG GLN 24 -2.855 0.636 7.922 186 2HG GLN 24 2HG GLN 24 -3.945 1.933 8.417 187 1HE2 GLN 24 1HE2 GLN 24 -1.949 -0.514 9.636 188 2HE2 GLN 24 2HE2 GLN 24 -2.611 -0.624 11.194 189 H VAL 25 H VAL 25 -3.899 2.866 5.530 190 HA VAL 25 HA VAL 25 -2.074 1.193 3.881 191 HB VAL 25 HB VAL 25 -3.312 3.194 2.895 192 1HG1 VAL 25 1HG1 VAL 25 -2.433 4.469 5.163 193 2HG1 VAL 25 2HG1 VAL 25 -1.256 5.016 3.968 194 3HG1 VAL 25 3HG1 VAL 25 -2.978 5.293 3.702 195 1HG2 VAL 25 1HG2 VAL 25 -1.165 2.131 2.001 196 2HG2 VAL 25 2HG2 VAL 25 -1.452 3.802 1.515 197 3HG2 VAL 25 3HG2 VAL 25 -0.295 3.443 2.796 198 H THR 26 H THR 26 0.256 1.719 3.956 199 HA THR 26 HA THR 26 1.125 3.021 6.486 200 HB THR 26 HB THR 26 2.329 0.412 5.555 201 HG1 THR 26 HG1 THR 26 0.606 0.485 7.728 202 1HG2 THR 26 1HG2 THR 26 3.155 2.291 7.393 203 2HG2 THR 26 2HG2 THR 26 2.283 1.136 8.400 204 3HG2 THR 26 3HG2 THR 26 3.630 0.593 7.400 205 H GLY 27 H GLY 27 2.376 4.658 5.761 206 1HA GLY 27 1HA GLY 27 4.481 4.030 3.747 207 2HA GLY 27 2HA GLY 27 3.457 5.448 3.516 208 H SER 28 H SER 28 3.910 7.312 4.689 209 HA SER 28 HA SER 28 6.029 7.109 6.781 210 1HB SER 28 1HB SER 28 5.942 9.238 4.628 211 2HB SER 28 2HB SER 28 7.179 9.041 5.868 212 HG SER 28 HG SER 28 6.660 7.528 3.569 213 H GLU 29 H GLU 29 2.938 8.068 6.084 214 HA GLU 29 HA GLU 29 2.777 9.682 8.502 215 1HB GLU 29 1HB GLU 29 3.614 11.336 6.813 216 2HB GLU 29 2HB GLU 29 2.162 11.039 5.861 217 1HG GLU 29 1HG GLU 29 1.525 11.583 8.654 218 2HG GLU 29 2HG GLU 29 2.428 12.908 7.920 219 H GLY 30 H GLY 30 0.796 9.283 9.370 220 1HA GLY 30 1HA GLY 30 -1.681 9.350 9.017 221 2HA GLY 30 2HA GLY 30 -1.404 8.486 7.503 222 H GLU 31 H GLU 31 0.223 6.445 8.125 223 HA GLU 31 HA GLU 31 0.094 4.255 8.968 224 1HB GLU 31 1HB GLU 31 -0.540 5.631 11.588 225 2HB GLU 31 2HB GLU 31 0.305 4.101 11.347 226 1HG GLU 31 1HG GLU 31 2.236 5.173 10.487 227 2HG GLU 31 2HG GLU 31 1.374 6.688 10.216 228 H LEU 32 H LEU 32 -2.481 5.662 8.122 229 HA LEU 32 HA LEU 32 -4.284 3.616 9.275 230 1HB LEU 32 1HB LEU 32 -4.536 6.563 9.695 231 2HB LEU 32 2HB LEU 32 -6.021 5.651 9.389 232 HG LEU 32 HG LEU 32 -4.099 4.497 11.358 233 1HD1 LEU 32 1HD1 LEU 32 -5.093 7.196 11.570 234 2HD1 LEU 32 2HD1 LEU 32 -5.825 6.195 12.824 235 3HD1 LEU 32 3HD1 LEU 32 -4.070 6.305 12.696 236 1HD2 LEU 32 1HD2 LEU 32 -7.095 4.713 11.012 237 2HD2 LEU 32 2HD2 LEU 32 -6.097 3.261 10.974 238 3HD2 LEU 32 3HD2 LEU 32 -6.372 4.100 12.500 239 H GLY 33 H GLY 33 -6.312 3.455 8.041 240 1HA GLY 33 1HA GLY 33 -5.952 4.409 5.232 241 2HA GLY 33 2HA GLY 33 -6.778 2.907 5.661 242 H ILE 34 H ILE 34 -8.952 2.995 6.098 243 HA ILE 34 HA ILE 34 -10.199 5.518 6.894 244 HB ILE 34 HB ILE 34 -10.635 4.300 4.160 245 1HG1 ILE 34 1HG1 ILE 34 -8.992 6.102 4.364 246 2HG1 ILE 34 2HG1 ILE 34 -10.423 6.706 3.525 247 1HG2 ILE 34 1HG2 ILE 34 -12.759 5.014 5.798 248 2HG2 ILE 34 2HG2 ILE 34 -12.419 6.508 4.933 249 3HG2 ILE 34 3HG2 ILE 34 -12.787 5.040 4.037 250 1HD1 ILE 34 1HD1 ILE 34 -11.150 7.178 6.088 251 2HD1 ILE 34 2HD1 ILE 34 -9.399 7.371 6.232 252 3HD1 ILE 34 3HD1 ILE 34 -10.309 8.370 5.091 253 H TYR 35 H TYR 35 -12.084 5.172 7.984 254 HA TYR 35 HA TYR 35 -13.052 2.346 8.140 255 1HB TYR 35 1HB TYR 35 -13.710 3.851 10.509 256 2HB TYR 35 2HB TYR 35 -12.727 2.395 10.376 257 HD1 TYR 35 HD1 TYR 35 -10.311 3.006 9.108 258 HD2 TYR 35 HD2 TYR 35 -12.660 5.607 11.597 259 HE1 TYR 35 HE1 TYR 35 -8.289 4.348 9.609 260 HE2 TYR 35 HE2 TYR 35 -10.635 6.948 12.101 261 HH TYR 35 HH TYR 35 -8.163 6.605 12.121 262 HA PRO 36 HA PRO 36 -17.122 3.889 7.520 263 1HB PRO 36 1HB PRO 36 -18.622 2.801 9.554 264 2HB PRO 36 2HB PRO 36 -18.005 1.868 8.179 265 1HG PRO 36 1HG PRO 36 -17.051 1.901 11.002 266 2HG PRO 36 2HG PRO 36 -16.914 0.620 9.787 267 1HD PRO 36 1HD PRO 36 -14.858 2.401 10.568 268 2HD PRO 36 2HD PRO 36 -14.829 1.331 9.151 269 H GLY 37 H GLY 37 -16.906 6.150 7.881 270 1HA GLY 37 1HA GLY 37 -18.284 7.864 9.119 271 2HA GLY 37 2HA GLY 37 -17.726 7.089 10.603 272 H HIS 38 H HIS 38 -15.380 7.206 8.121 273 HA HIS 38 HA HIS 38 -13.663 8.938 9.691 274 1HB HIS 38 1HB HIS 38 -12.886 7.065 8.153 275 2HB HIS 38 2HB HIS 38 -13.277 8.124 6.798 276 HD1 HIS 38 HD1 HIS 38 -11.510 9.766 6.126 277 HD2 HIS 38 HD2 HIS 38 -10.886 8.317 9.984 278 HE1 HIS 38 HE1 HIS 38 -9.293 10.716 6.897 279 H ALA 39 H ALA 39 -12.570 10.879 8.504 280 HA ALA 39 HA ALA 39 -14.734 12.680 7.647 281 1HB ALA 39 1HB ALA 39 -11.772 13.149 8.116 282 2HB ALA 39 2HB ALA 39 -12.929 14.413 7.696 283 3HB ALA 39 3HB ALA 39 -13.085 13.545 9.225 284 HA PRO 40 HA PRO 40 -13.870 12.411 3.354 285 1HB PRO 40 1HB PRO 40 -14.655 14.931 2.582 286 2HB PRO 40 2HB PRO 40 -15.787 13.637 3.010 287 1HG PRO 40 1HG PRO 40 -15.009 16.049 4.584 288 2HG PRO 40 2HG PRO 40 -16.510 15.109 4.638 289 1HD PRO 40 1HD PRO 40 -14.395 14.951 6.509 290 2HD PRO 40 2HD PRO 40 -15.732 13.792 6.346 291 H LEU 41 H LEU 41 -11.458 12.377 3.859 292 HA LEU 41 HA LEU 41 -10.095 14.971 3.363 293 1HB LEU 41 1HB LEU 41 -9.439 12.501 4.782 294 2HB LEU 41 2HB LEU 41 -8.143 13.012 3.701 295 HG LEU 41 HG LEU 41 -7.896 14.023 5.946 296 1HD1 LEU 41 1HD1 LEU 41 -8.236 15.536 3.444 297 2HD1 LEU 41 2HD1 LEU 41 -8.350 16.529 4.898 298 3HD1 LEU 41 3HD1 LEU 41 -6.906 15.561 4.602 299 1HD2 LEU 41 1HD2 LEU 41 -10.717 14.364 5.653 300 2HD2 LEU 41 2HD2 LEU 41 -9.718 14.749 7.054 301 3HD2 LEU 41 3HD2 LEU 41 -9.996 15.967 5.809 302 H LEU 42 H LEU 42 -8.629 15.195 1.577 303 HA LEU 42 HA LEU 42 -8.424 12.961 -0.338 304 1HB LEU 42 1HB LEU 42 -9.323 14.321 -2.209 305 2HB LEU 42 2HB LEU 42 -10.547 14.007 -0.978 306 HG LEU 42 HG LEU 42 -9.131 16.393 -0.259 307 1HD1 LEU 42 1HD1 LEU 42 -8.590 16.488 -2.698 308 2HD1 LEU 42 2HD1 LEU 42 -10.317 16.442 -3.050 309 3HD1 LEU 42 3HD1 LEU 42 -9.632 17.812 -2.179 310 1HD2 LEU 42 1HD2 LEU 42 -11.888 15.463 -0.832 311 2HD2 LEU 42 2HD2 LEU 42 -11.280 16.404 0.529 312 3HD2 LEU 42 3HD2 LEU 42 -11.624 17.198 -1.007 313 H THR 43 H THR 43 -6.483 13.045 -1.383 314 HA THR 43 HA THR 43 -5.155 15.399 -2.251 315 HB THR 43 HB THR 43 -4.589 16.132 -0.125 316 HG1 THR 43 HG1 THR 43 -2.587 15.968 -0.754 317 1HG2 THR 43 1HG2 THR 43 -4.775 13.225 0.576 318 2HG2 THR 43 2HG2 THR 43 -3.842 14.295 1.623 319 3HG2 THR 43 3HG2 THR 43 -5.553 14.610 1.339 320 H ALA 44 H ALA 44 -3.253 13.016 -0.521 321 HA ALA 44 HA ALA 44 -2.749 11.594 -3.102 322 1HB ALA 44 1HB ALA 44 -0.910 13.200 -2.637 323 2HB ALA 44 2HB ALA 44 -0.644 12.420 -1.078 324 3HB ALA 44 3HB ALA 44 -0.354 11.528 -2.571 325 H ILE 45 H ILE 45 -1.833 9.393 -2.754 326 HA ILE 45 HA ILE 45 -2.927 8.223 -0.245 327 HB ILE 45 HB ILE 45 -3.605 7.367 -2.571 328 1HG1 ILE 45 1HG1 ILE 45 -2.640 4.923 -1.462 329 2HG1 ILE 45 2HG1 ILE 45 -3.018 6.001 -0.118 330 1HG2 ILE 45 1HG2 ILE 45 -1.283 7.431 -3.499 331 2HG2 ILE 45 2HG2 ILE 45 -0.846 6.118 -2.405 332 3HG2 ILE 45 3HG2 ILE 45 -2.045 5.849 -3.669 333 1HD1 ILE 45 1HD1 ILE 45 -5.156 6.415 -1.808 334 2HD1 ILE 45 2HD1 ILE 45 -4.827 4.696 -2.036 335 3HD1 ILE 45 3HD1 ILE 45 -5.162 5.324 -0.422 336 H LYS 46 H LYS 46 -1.564 7.354 1.268 337 HA LYS 46 HA LYS 46 1.256 7.820 1.110 338 1HB LYS 46 1HB LYS 46 -0.614 6.534 3.007 339 2HB LYS 46 2HB LYS 46 1.042 5.932 3.068 340 1HG LYS 46 1HG LYS 46 0.937 7.775 4.597 341 2HG LYS 46 2HG LYS 46 1.798 8.359 3.172 342 1HD LYS 46 1HD LYS 46 -1.096 8.690 2.929 343 2HD LYS 46 2HD LYS 46 -0.438 9.550 4.322 344 1HE LYS 46 1HE LYS 46 1.333 9.909 2.090 345 2HE LYS 46 2HE LYS 46 -0.307 10.319 1.588 346 1HZ LYS 46 1HZ LYS 46 -0.409 11.619 3.753 347 2HZ LYS 46 2HZ LYS 46 1.283 11.467 3.799 348 3HZ LYS 46 3HZ LYS 46 0.534 12.272 2.504 349 HA PRO 47 HA PRO 47 2.347 4.194 -1.190 350 1HB PRO 47 1HB PRO 47 5.067 4.496 -0.951 351 2HB PRO 47 2HB PRO 47 4.072 5.453 -2.063 352 1HG PRO 47 1HG PRO 47 5.331 6.278 0.508 353 2HG PRO 47 2HG PRO 47 4.864 7.270 -0.883 354 1HD PRO 47 1HD PRO 47 3.422 7.007 1.554 355 2HD PRO 47 2HD PRO 47 2.841 7.778 0.062 356 H GLY 48 H GLY 48 3.469 2.110 -0.799 357 1HA GLY 48 1HA GLY 48 4.917 0.882 0.914 358 2HA GLY 48 2HA GLY 48 3.832 1.574 2.121 359 H MET 49 H MET 49 2.634 -0.094 2.892 360 HA MET 49 HA MET 49 1.326 -1.897 0.880 361 1HB MET 49 1HB MET 49 1.405 -3.686 2.551 362 2HB MET 49 2HB MET 49 3.034 -3.065 2.276 363 1HG MET 49 1HG MET 49 3.078 -1.912 4.320 364 2HG MET 49 2HG MET 49 1.321 -1.909 4.465 365 1HE MET 49 1HE MET 49 0.169 -4.239 3.969 366 2HE MET 49 2HE MET 49 0.397 -5.526 5.150 367 3HE MET 49 3HE MET 49 -0.070 -3.916 5.692 368 H ILE 50 H ILE 50 -0.722 -2.997 2.122 369 HA ILE 50 HA ILE 50 -1.981 -1.100 3.986 370 HB ILE 50 HB ILE 50 -2.414 -0.078 1.783 371 1HG1 ILE 50 1HG1 ILE 50 -4.655 -1.322 3.365 372 2HG1 ILE 50 2HG1 ILE 50 -4.164 0.368 3.278 373 1HG2 ILE 50 1HG2 ILE 50 -2.490 -2.663 0.875 374 2HG2 ILE 50 2HG2 ILE 50 -4.210 -2.262 0.917 375 3HG2 ILE 50 3HG2 ILE 50 -3.095 -1.277 -0.031 376 1HD1 ILE 50 1HD1 ILE 50 -4.837 0.129 0.744 377 2HD1 ILE 50 2HD1 ILE 50 -5.797 -1.226 1.336 378 3HD1 ILE 50 3HD1 ILE 50 -6.083 0.398 1.963 379 H ARG 51 H ARG 51 -3.308 -2.204 5.343 380 HA ARG 51 HA ARG 51 -4.052 -4.997 4.623 381 1HB ARG 51 1HB ARG 51 -2.952 -4.804 6.786 382 2HB ARG 51 2HB ARG 51 -4.048 -3.509 7.272 383 1HG ARG 51 1HG ARG 51 -5.959 -5.099 7.076 384 2HG ARG 51 2HG ARG 51 -4.815 -6.388 6.701 385 1HD ARG 51 1HD ARG 51 -4.741 -4.735 9.242 386 2HD ARG 51 2HD ARG 51 -5.479 -6.332 9.118 387 HE ARG 51 HE ARG 51 -2.579 -5.918 8.514 388 1HH1 ARG 51 1HH2 ARG 51 -3.151 -6.406 11.385 389 2HH1 ARG 51 2HH2 ARG 51 -3.071 -8.133 11.500 390 1HH2 ARG 51 1HH1 ARG 51 -3.367 -8.637 8.082 391 2HH2 ARG 51 2HH1 ARG 51 -3.193 -9.396 9.630 392 H ILE 52 H ILE 52 -6.192 -5.404 4.104 393 HA ILE 52 HA ILE 52 -8.167 -3.282 4.828 394 HB ILE 52 HB ILE 52 -7.173 -3.604 2.333 395 1HG1 ILE 52 1HG1 ILE 52 -10.018 -2.857 3.046 396 2HG1 ILE 52 2HG1 ILE 52 -8.620 -1.774 3.035 397 1HG2 ILE 52 1HG2 ILE 52 -8.421 -5.953 2.477 398 2HG2 ILE 52 2HG2 ILE 52 -9.810 -4.969 2.017 399 3HG2 ILE 52 3HG2 ILE 52 -8.384 -5.025 0.979 400 1HD1 ILE 52 1HD1 ILE 52 -8.734 -3.186 0.540 401 2HD1 ILE 52 2HD1 ILE 52 -10.301 -2.440 0.849 402 3HD1 ILE 52 3HD1 ILE 52 -8.841 -1.447 0.823 403 H VAL 53 H VAL 53 -10.339 -3.995 5.097 404 HA VAL 53 HA VAL 53 -10.724 -6.949 5.257 405 HB VAL 53 HB VAL 53 -11.445 -4.840 7.307 406 1HG1 VAL 53 1HG1 VAL 53 -12.801 -7.316 6.597 407 2HG1 VAL 53 2HG1 VAL 53 -12.237 -7.338 8.269 408 3HG1 VAL 53 3HG1 VAL 53 -13.302 -6.047 7.714 409 1HG2 VAL 53 1HG2 VAL 53 -9.173 -6.282 7.105 410 2HG2 VAL 53 2HG2 VAL 53 -9.881 -5.846 8.661 411 3HG2 VAL 53 3HG2 VAL 53 -10.168 -7.447 7.977 412 H LYS 54 H LYS 54 -12.187 -7.265 3.621 413 HA LYS 54 HA LYS 54 -14.084 -5.290 2.743 414 1HB LYS 54 1HB LYS 54 -13.143 -7.409 1.518 415 2HB LYS 54 2HB LYS 54 -14.484 -8.241 2.306 416 1HG LYS 54 1HG LYS 54 -15.773 -6.051 1.342 417 2HG LYS 54 2HG LYS 54 -14.524 -6.250 0.113 418 1HD LYS 54 1HD LYS 54 -16.101 -7.686 -0.756 419 2HD LYS 54 2HD LYS 54 -15.276 -8.812 0.323 420 1HE LYS 54 1HE LYS 54 -16.936 -8.324 2.092 421 2HE LYS 54 2HE LYS 54 -17.773 -7.226 0.995 422 1HZ LYS 54 1HZ LYS 54 -17.903 -9.209 -0.559 423 2HZ LYS 54 2HZ LYS 54 -17.478 -10.159 0.780 424 3HZ LYS 54 3HZ LYS 54 -18.906 -9.241 0.812 425 H GLN 55 H GLN 55 -15.888 -4.673 3.822 426 HA GLN 55 HA GLN 55 -17.572 -4.720 5.487 427 1HB GLN 55 1HB GLN 55 -18.238 -6.277 3.380 428 2HB GLN 55 2HB GLN 55 -18.287 -7.486 4.664 429 1HG GLN 55 1HG GLN 55 -19.707 -5.808 5.984 430 2HG GLN 55 2HG GLN 55 -19.864 -4.914 4.471 431 1HE2 GLN 55 2HE2 GLN 55 -20.283 -6.778 2.543 432 2HE2 GLN 55 1HE2 GLN 55 -21.623 -7.759 2.895 433 H HIS 56 H HIS 56 -18.650 -7.192 6.674 434 HA HIS 56 HA HIS 56 -16.592 -7.508 8.765 435 1HB HIS 56 1HB HIS 56 -19.121 -7.160 9.181 436 2HB HIS 56 2HB HIS 56 -19.292 -8.855 8.723 437 HD1 HIS 56 HD1 HIS 56 -18.402 -6.698 11.546 438 HD2 HIS 56 HD2 HIS 56 -17.663 -10.650 10.440 439 HE1 HIS 56 HE1 HIS 56 -17.599 -7.889 13.632 440 H GLY 57 H GLY 57 -15.293 -8.676 6.940 441 1HA GLY 57 1HA GLY 57 -14.865 -11.332 7.531 442 2HA GLY 57 2HA GLY 57 -16.136 -11.399 6.309 443 H HIS 58 H HIS 58 -13.597 -12.480 5.800 444 HA HIS 58 HA HIS 58 -11.898 -12.423 4.182 445 1HB HIS 58 1HB HIS 58 -13.397 -10.178 2.841 446 2HB HIS 58 2HB HIS 58 -12.473 -11.485 2.101 447 HD1 HIS 58 HD1 HIS 58 -15.532 -10.843 1.477 448 HD2 HIS 58 HD2 HIS 58 -14.146 -13.832 4.032 449 HE1 HIS 58 HE1 HIS 58 -17.379 -12.569 1.629 450 H GLU 59 H GLU 59 -10.104 -11.057 3.404 451 HA GLU 59 HA GLU 59 -9.815 -8.296 4.032 452 1HB GLU 59 1HB GLU 59 -8.231 -8.571 5.999 453 2HB GLU 59 2HB GLU 59 -9.926 -8.895 6.366 454 1HG GLU 59 1HG GLU 59 -9.525 -11.077 6.815 455 2HG GLU 59 2HG GLU 59 -8.485 -11.261 5.402 456 H GLU 60 H GLU 60 -8.301 -7.779 2.517 457 HA GLU 60 HA GLU 60 -5.933 -9.587 2.265 458 1HB GLU 60 1HB GLU 60 -6.070 -8.881 -0.256 459 2HB GLU 60 2HB GLU 60 -7.112 -10.178 0.331 460 1HG GLU 60 1HG GLU 60 -9.018 -8.851 0.299 461 2HG GLU 60 2HG GLU 60 -8.103 -7.353 0.474 462 H PHE 61 H PHE 61 -4.011 -8.488 1.436 463 HA PHE 61 HA PHE 61 -4.110 -5.544 1.953 464 1HB PHE 61 1HB PHE 61 -1.480 -6.084 2.175 465 2HB PHE 61 2HB PHE 61 -2.587 -6.210 3.544 466 HD1 PHE 61 HD1 PHE 61 -0.729 -8.067 0.970 467 HD2 PHE 61 HD2 PHE 61 -3.271 -8.376 4.413 468 HE1 PHE 61 HE1 PHE 61 -0.209 -10.490 1.133 469 HE2 PHE 61 HE2 PHE 61 -2.756 -10.798 4.581 470 HZ PHE 61 HZ PHE 61 -1.224 -11.856 2.941 471 H ILE 62 H ILE 62 -3.361 -4.193 0.368 472 HA ILE 62 HA ILE 62 -2.288 -5.489 -2.103 473 HB ILE 62 HB ILE 62 -3.747 -2.844 -1.823 474 1HG1 ILE 62 1HG1 ILE 62 -5.367 -4.366 -3.336 475 2HG1 ILE 62 2HG1 ILE 62 -4.626 -5.641 -2.367 476 1HG2 ILE 62 1HG2 ILE 62 -2.477 -4.332 -4.100 477 2HG2 ILE 62 2HG2 ILE 62 -3.901 -3.338 -4.407 478 3HG2 ILE 62 3HG2 ILE 62 -2.442 -2.606 -3.741 479 1HD1 ILE 62 1HD1 ILE 62 -5.707 -3.153 -1.058 480 2HD1 ILE 62 2HD1 ILE 62 -6.776 -4.499 -1.453 481 3HD1 ILE 62 3HD1 ILE 62 -5.424 -4.741 -0.345 482 H TYR 63 H TYR 63 -0.794 -3.963 -3.359 483 HA TYR 63 HA TYR 63 0.804 -2.284 -1.471 484 1HB TYR 63 1HB TYR 63 2.096 -4.279 -1.753 485 2HB TYR 63 2HB TYR 63 1.774 -4.322 -3.487 486 HD1 TYR 63 HD1 TYR 63 2.782 -2.615 -4.994 487 HD2 TYR 63 HD2 TYR 63 3.827 -2.884 -0.833 488 HE1 TYR 63 HE1 TYR 63 4.789 -1.226 -5.413 489 HE2 TYR 63 HE2 TYR 63 5.835 -1.485 -1.252 490 HH TYR 63 HH TYR 63 7.313 -0.917 -3.188 491 H LEU 64 H LEU 64 1.534 -0.332 -2.342 492 HA LEU 64 HA LEU 64 1.586 0.177 -5.193 493 1HB LEU 64 1HB LEU 64 -0.234 1.906 -5.163 494 2HB LEU 64 2HB LEU 64 -0.829 0.260 -4.946 495 HG LEU 64 HG LEU 64 -0.158 1.293 -2.369 496 1HD1 LEU 64 1HD1 LEU 64 -1.824 3.129 -4.108 497 2HD1 LEU 64 2HD1 LEU 64 -1.882 3.161 -2.346 498 3HD1 LEU 64 3HD1 LEU 64 -0.378 3.541 -3.185 499 1HD2 LEU 64 1HD2 LEU 64 -2.782 0.668 -3.758 500 2HD2 LEU 64 2HD2 LEU 64 -1.826 -0.430 -2.763 501 3HD2 LEU 64 3HD2 LEU 64 -2.626 0.958 -2.026 502 H SER 65 H SER 65 1.396 2.916 -5.244 503 HA SER 65 HA SER 65 2.541 4.302 -3.036 504 1HB SER 65 1HB SER 65 4.424 2.805 -4.753 505 2HB SER 65 2HB SER 65 4.854 4.491 -4.475 506 HG SER 65 HG SER 65 5.547 2.808 -2.879 507 H GLY 66 H GLY 66 2.312 6.456 -3.465 508 1HA GLY 66 1HA GLY 66 2.096 8.448 -4.702 509 2HA GLY 66 2HA GLY 66 2.767 7.595 -6.094 510 H GLY 67 H GLY 67 0.307 9.379 -5.747 511 1HA GLY 67 1HA GLY 67 -1.383 8.655 -7.680 512 2HA GLY 67 2HA GLY 67 -1.850 7.471 -6.459 513 H ILE 68 H ILE 68 -3.710 9.335 -7.366 514 HA ILE 68 HA ILE 68 -3.836 11.402 -5.224 515 HB ILE 68 HB ILE 68 -5.685 11.090 -7.603 516 1HG1 ILE 68 1HG1 ILE 68 -3.967 13.228 -8.095 517 2HG1 ILE 68 2HG1 ILE 68 -2.900 11.969 -7.472 518 1HG2 ILE 68 1HG2 ILE 68 -5.657 12.777 -5.318 519 2HG2 ILE 68 2HG2 ILE 68 -5.197 13.776 -6.697 520 3HG2 ILE 68 3HG2 ILE 68 -6.719 12.885 -6.723 521 1HD1 ILE 68 1HD1 ILE 68 -4.812 10.823 -9.309 522 2HD1 ILE 68 2HD1 ILE 68 -3.959 12.160 -10.079 523 3HD1 ILE 68 3HD1 ILE 68 -3.051 10.813 -9.395 524 H LEU 69 H LEU 69 -5.102 10.985 -3.475 525 HA LEU 69 HA LEU 69 -7.132 8.818 -3.723 526 1HB LEU 69 1HB LEU 69 -5.592 8.219 -2.033 527 2HB LEU 69 2HB LEU 69 -5.497 9.866 -1.415 528 HG LEU 69 HG LEU 69 -8.132 8.426 -1.365 529 1HD1 LEU 69 1HD1 LEU 69 -5.710 7.697 0.126 530 2HD1 LEU 69 2HD1 LEU 69 -7.083 8.070 1.170 531 3HD1 LEU 69 3HD1 LEU 69 -7.225 6.811 -0.059 532 1HD2 LEU 69 1HD2 LEU 69 -6.916 10.859 -0.301 533 2HD2 LEU 69 2HD2 LEU 69 -8.622 10.434 -0.445 534 3HD2 LEU 69 3HD2 LEU 69 -7.698 9.906 0.961 535 H GLU 70 H GLU 70 -9.198 9.134 -2.730 536 HA GLU 70 HA GLU 70 -9.940 11.789 -1.719 537 1HB GLU 70 1HB GLU 70 -11.814 11.954 -3.457 538 2HB GLU 70 2HB GLU 70 -10.188 12.295 -4.048 539 1HG GLU 70 1HG GLU 70 -10.182 9.683 -4.528 540 2HG GLU 70 2HG GLU 70 -11.929 9.915 -4.559 541 H VAL 71 H VAL 71 -11.029 11.091 0.083 542 HA VAL 71 HA VAL 71 -12.694 8.640 -0.145 543 HB VAL 71 HB VAL 71 -10.943 9.007 1.713 544 1HG1 VAL 71 1HG1 VAL 71 -11.888 11.390 2.103 545 2HG1 VAL 71 2HG1 VAL 71 -13.160 10.578 3.015 546 3HG1 VAL 71 3HG1 VAL 71 -11.477 10.421 3.519 547 1HG2 VAL 71 1HG2 VAL 71 -13.827 8.305 2.325 548 2HG2 VAL 71 2HG2 VAL 71 -12.539 7.196 1.856 549 3HG2 VAL 71 3HG2 VAL 71 -12.492 7.991 3.430 550 H GLN 72 H GLN 72 -14.853 8.654 0.822 551 HA GLN 72 HA GLN 72 -16.122 11.324 1.106 552 1HB GLN 72 1HB GLN 72 -16.472 9.492 -1.142 553 2HB GLN 72 2HB GLN 72 -17.998 9.829 -0.324 554 1HG GLN 72 1HG GLN 72 -17.356 12.298 -0.434 555 2HG GLN 72 2HG GLN 72 -16.070 11.815 -1.542 556 1HE2 GLN 72 2HE2 GLN 72 -17.211 13.045 -3.278 557 2HE2 GLN 72 1HE2 GLN 72 -18.574 12.372 -4.033 558 HA PRO 73 HA PRO 73 -18.549 9.239 4.131 559 1HB PRO 73 1HB PRO 73 -21.018 10.397 3.802 560 2HB PRO 73 2HB PRO 73 -19.630 11.239 4.515 561 1HG PRO 73 1HG PRO 73 -20.843 11.579 1.814 562 2HG PRO 73 2HG PRO 73 -19.912 12.737 2.778 563 1HD PRO 73 1HD PRO 73 -18.937 11.217 0.587 564 2HD PRO 73 2HD PRO 73 -17.959 12.158 1.733 565 H GLY 74 H GLY 74 -18.311 7.327 2.295 566 1HA GLY 74 1HA GLY 74 -20.293 5.520 2.443 567 2HA GLY 74 2HA GLY 74 -20.953 6.588 1.205 568 H ASN 75 H ASN 75 -17.908 7.029 0.490 569 HA ASN 75 HA ASN 75 -17.089 4.473 -0.603 570 1HB ASN 75 1HB ASN 75 -17.514 4.854 -2.928 571 2HB ASN 75 2HB ASN 75 -19.035 5.176 -2.097 572 1HD2 ASN 75 2HD2 ASN 75 -16.719 6.528 -4.236 573 2HD2 ASN 75 1HD2 ASN 75 -17.281 8.129 -4.198 574 H VAL 76 H VAL 76 -15.173 4.807 -2.133 575 HA VAL 76 HA VAL 76 -13.851 7.422 -1.969 576 HB VAL 76 HB VAL 76 -13.093 6.693 0.136 577 1HG1 VAL 76 1HG1 VAL 76 -14.090 4.379 -0.201 578 2HG1 VAL 76 2HG1 VAL 76 -12.574 3.935 -0.986 579 3HG1 VAL 76 3HG1 VAL 76 -12.579 4.424 0.707 580 1HG2 VAL 76 1HG2 VAL 76 -11.216 7.253 -1.436 581 2HG2 VAL 76 2HG2 VAL 76 -10.742 6.140 -0.153 582 3HG2 VAL 76 3HG2 VAL 76 -11.051 5.531 -1.780 583 H THR 77 H THR 77 -11.783 7.372 -3.229 584 HA THR 77 HA THR 77 -11.338 5.019 -4.942 585 HB THR 77 HB THR 77 -11.514 6.563 -7.011 586 HG1 THR 77 HG1 THR 77 -12.415 8.444 -6.732 587 1HG2 THR 77 1HG2 THR 77 -13.117 4.698 -6.235 588 2HG2 THR 77 2HG2 THR 77 -14.148 6.005 -5.655 589 3HG2 THR 77 3HG2 THR 77 -13.752 5.889 -7.369 590 H VAL 78 H VAL 78 -9.318 5.224 -6.154 591 HA VAL 78 HA VAL 78 -7.669 7.596 -5.886 592 HB VAL 78 HB VAL 78 -7.252 6.983 -3.652 593 1HG1 VAL 78 1HG1 VAL 78 -7.950 4.349 -4.640 594 2HG1 VAL 78 2HG1 VAL 78 -6.503 4.275 -3.634 595 3HG1 VAL 78 3HG1 VAL 78 -7.991 4.966 -2.988 596 1HG2 VAL 78 1HG2 VAL 78 -5.192 6.959 -5.359 597 2HG2 VAL 78 2HG2 VAL 78 -4.973 6.597 -3.648 598 3HG2 VAL 78 3HG2 VAL 78 -5.087 5.284 -4.818 599 H LEU 79 H LEU 79 -6.261 7.563 -7.576 600 HA LEU 79 HA LEU 79 -5.732 4.924 -8.882 601 1HB LEU 79 1HB LEU 79 -5.890 7.723 -10.032 602 2HB LEU 79 2HB LEU 79 -5.288 6.336 -10.939 603 HG LEU 79 HG LEU 79 -7.636 5.342 -9.952 604 1HD1 LEU 79 1HD1 LEU 79 -7.912 7.915 -9.241 605 2HD1 LEU 79 2HD1 LEU 79 -8.485 8.039 -10.905 606 3HD1 LEU 79 3HD1 LEU 79 -9.284 6.943 -9.776 607 1HD2 LEU 79 1HD2 LEU 79 -6.515 6.025 -12.436 608 2HD2 LEU 79 2HD2 LEU 79 -7.957 5.048 -12.169 609 3HD2 LEU 79 3HD2 LEU 79 -8.106 6.785 -12.431 610 H ALA 80 H ALA 80 -3.704 4.253 -8.334 611 HA ALA 80 HA ALA 80 -1.581 6.326 -8.006 612 1HB ALA 80 1HB ALA 80 -1.817 3.479 -7.003 613 2HB ALA 80 2HB ALA 80 -0.322 4.410 -6.900 614 3HB ALA 80 3HB ALA 80 -1.765 4.960 -6.046 615 H ASP 81 H ASP 81 0.695 5.040 -8.528 616 HA ASP 81 HA ASP 81 0.348 3.954 -11.296 617 1HB ASP 81 1HB ASP 81 2.361 5.085 -11.964 618 2HB ASP 81 2HB ASP 81 1.370 6.278 -11.123 619 H THR 82 H THR 82 1.430 3.325 -8.161 620 HA THR 82 HA THR 82 3.334 1.236 -9.131 621 HB THR 82 HB THR 82 3.036 2.616 -6.452 622 HG1 THR 82 HG1 THR 82 5.089 2.409 -8.393 623 1HG2 THR 82 1HG2 THR 82 4.285 0.019 -7.190 624 2HG2 THR 82 2HG2 THR 82 5.206 1.070 -6.113 625 3HG2 THR 82 3HG2 THR 82 3.588 0.538 -5.655 626 H ALA 83 H ALA 83 2.941 -0.928 -8.575 627 HA ALA 83 HA ALA 83 0.857 -1.627 -6.650 628 1HB ALA 83 1HB ALA 83 0.113 -1.198 -9.361 629 2HB ALA 83 2HB ALA 83 0.072 -2.939 -9.079 630 3HB ALA 83 3HB ALA 83 -0.880 -1.857 -8.060 631 H ILE 84 H ILE 84 1.329 -3.618 -5.815 632 HA ILE 84 HA ILE 84 3.056 -5.431 -7.440 633 HB ILE 84 HB ILE 84 3.329 -4.660 -4.530 634 1HG1 ILE 84 1HG1 ILE 84 5.209 -4.669 -6.912 635 2HG1 ILE 84 2HG1 ILE 84 4.537 -3.249 -6.112 636 1HG2 ILE 84 1HG2 ILE 84 4.599 -6.986 -6.004 637 2HG2 ILE 84 2HG2 ILE 84 5.041 -6.449 -4.383 638 3HG2 ILE 84 3HG2 ILE 84 3.432 -7.105 -4.686 639 1HD1 ILE 84 1HD1 ILE 84 6.106 -5.246 -4.506 640 2HD1 ILE 84 2HD1 ILE 84 6.958 -4.053 -5.487 641 3HD1 ILE 84 3HD1 ILE 84 5.863 -3.526 -4.209 642 H ARG 85 H ARG 85 0.644 -5.086 -4.880 643 HA ARG 85 HA ARG 85 -1.136 -6.540 -4.337 644 1HB ARG 85 1HB ARG 85 -0.396 -7.341 -6.935 645 2HB ARG 85 2HB ARG 85 -0.420 -8.822 -5.979 646 1HG ARG 85 1HG ARG 85 -2.691 -7.380 -5.161 647 2HG ARG 85 2HG ARG 85 -2.649 -7.225 -6.917 648 1HD ARG 85 1HD ARG 85 -2.544 -9.627 -7.192 649 2HD ARG 85 2HD ARG 85 -2.357 -9.863 -5.454 650 HE ARG 85 HE ARG 85 -4.779 -8.444 -5.875 651 1HH1 ARG 85 1HH1 ARG 85 -3.342 -11.452 -6.764 652 2HH1 ARG 85 2HH1 ARG 85 -4.820 -12.344 -6.638 653 1HH2 ARG 85 1HH2 ARG 85 -6.694 -9.619 -5.601 654 2HH2 ARG 85 2HH2 ARG 85 -6.717 -11.309 -5.984 655 H GLY 86 H GLY 86 -1.186 -7.919 -2.589 656 1HA GLY 86 1HA GLY 86 0.987 -8.683 -1.106 657 2HA GLY 86 2HA GLY 86 -0.485 -9.655 -1.134 658 H GLN 87 H GLN 87 2.788 -9.414 -2.258 659 HA GLN 87 HA GLN 87 4.184 -11.006 -3.253 660 1HB GLN 87 1HB GLN 87 2.922 -12.462 -1.521 661 2HB GLN 87 2HB GLN 87 1.983 -13.033 -2.902 662 1HG GLN 87 1HG GLN 87 4.096 -13.656 -4.052 663 2HG GLN 87 2HG GLN 87 4.997 -13.158 -2.620 664 1HE2 GLN 87 2HE2 GLN 87 5.662 -15.079 -1.624 665 2HE2 GLN 87 1HE2 GLN 87 4.643 -16.395 -1.291 666 H ASP 88 H ASP 88 3.614 -9.695 -5.244 667 HA ASP 88 HA ASP 88 1.611 -10.373 -7.097 668 1HB ASP 88 1HB ASP 88 3.413 -8.496 -7.196 669 2HB ASP 88 2HB ASP 88 4.417 -9.714 -7.986 670 H LEU 89 H LEU 89 4.708 -11.928 -6.440 671 HA LEU 89 HA LEU 89 4.007 -14.504 -7.194 672 1HB LEU 89 1HB LEU 89 4.231 -12.796 -9.506 673 2HB LEU 89 2HB LEU 89 5.496 -14.024 -9.558 674 HG LEU 89 HG LEU 89 2.782 -14.949 -8.766 675 1HD1 LEU 89 1HD1 LEU 89 3.298 -13.492 -11.237 676 2HD1 LEU 89 2HD1 LEU 89 2.781 -15.147 -11.554 677 3HD1 LEU 89 3HD1 LEU 89 1.767 -14.078 -10.586 678 1HD2 LEU 89 1HD2 LEU 89 5.009 -16.281 -9.119 679 2HD2 LEU 89 2HD2 LEU 89 3.506 -16.955 -9.749 680 3HD2 LEU 89 3HD2 LEU 89 4.624 -16.130 -10.834 681 H ASP 90 H ASP 90 5.741 -15.871 -6.775 682 HA ASP 90 HA ASP 90 7.969 -16.503 -6.322 683 1HB ASP 90 1HB ASP 90 8.271 -14.570 -8.264 684 2HB ASP 90 2HB ASP 90 9.193 -13.896 -6.920 685 H GLU 91 H GLU 91 9.452 -16.167 -4.544 686 HA GLU 91 HA GLU 91 8.631 -13.961 -2.697 687 1HB GLU 91 1HB GLU 91 9.179 -15.605 -0.834 688 2HB GLU 91 2HB GLU 91 7.731 -15.984 -1.769 689 1HG GLU 91 1HG GLU 91 8.609 -17.940 -2.458 690 2HG GLU 91 2HG GLU 91 10.079 -17.140 -3.015 691 H ALA 92 H ALA 92 11.210 -15.953 -3.994 692 HA ALA 92 HA ALA 92 13.244 -14.671 -2.297 693 1HB ALA 92 1HB ALA 92 13.357 -17.089 -3.078 694 2HB ALA 92 2HB ALA 92 13.692 -16.466 -4.693 695 3HB ALA 92 3HB ALA 92 14.813 -16.138 -3.371 696 H ARG 93 H ARG 93 12.034 -14.465 -5.610 697 HA ARG 93 HA ARG 93 14.138 -12.831 -6.660 698 1HB ARG 93 1HB ARG 93 11.991 -14.006 -7.778 699 2HB ARG 93 2HB ARG 93 11.359 -12.367 -7.620 700 1HG ARG 93 1HG ARG 93 13.334 -11.483 -8.802 701 2HG ARG 93 2HG ARG 93 13.975 -13.118 -8.958 702 1HD ARG 93 1HD ARG 93 11.525 -13.515 -10.010 703 2HD ARG 93 2HD ARG 93 11.737 -11.813 -10.419 704 HE ARG 93 HE ARG 93 14.127 -13.119 -11.154 705 1HH1 ARG 93 1HH1 ARG 93 11.960 -15.206 -11.835 706 2HH1 ARG 93 2HH1 ARG 93 11.668 -14.826 -13.499 707 1HH2 ARG 93 1HH2 ARG 93 13.237 -11.738 -13.345 708 2HH2 ARG 93 2HH2 ARG 93 12.391 -12.862 -14.353 709 H ALA 94 H ALA 94 11.495 -12.138 -4.523 710 HA ALA 94 HA ALA 94 11.683 -9.227 -4.964 711 1HB ALA 94 1HB ALA 94 9.800 -11.051 -3.717 712 2HB ALA 94 2HB ALA 94 10.201 -9.726 -2.625 713 3HB ALA 94 3HB ALA 94 9.553 -9.382 -4.229 714 H MET 95 H MET 95 12.929 -11.686 -2.854 715 HA MET 95 HA MET 95 13.703 -10.007 -0.658 716 1HB MET 95 1HB MET 95 14.131 -12.755 -1.529 717 2HB MET 95 2HB MET 95 15.585 -12.066 -0.812 718 1HG MET 95 1HG MET 95 14.037 -11.235 1.078 719 2HG MET 95 2HG MET 95 12.850 -12.367 0.427 720 1HE MET 95 1HE MET 95 12.490 -14.173 1.904 721 2HE MET 95 2HE MET 95 13.051 -14.905 0.394 722 3HE MET 95 3HE MET 95 13.596 -15.543 1.944 723 H GLU 96 H GLU 96 14.970 -10.451 -3.847 724 HA GLU 96 HA GLU 96 17.656 -9.485 -3.206 725 1HB GLU 96 1HB GLU 96 16.506 -10.827 -5.359 726 2HB GLU 96 2HB GLU 96 16.837 -9.216 -5.998 727 1HG GLU 96 1HG GLU 96 18.898 -10.777 -4.433 728 2HG GLU 96 2HG GLU 96 18.741 -10.922 -6.184 729 H ALA 97 H ALA 97 14.581 -8.084 -3.999 730 HA ALA 97 HA ALA 97 15.451 -5.603 -5.103 731 1HB ALA 97 1HB ALA 97 13.009 -6.348 -3.477 732 2HB ALA 97 2HB ALA 97 13.245 -4.740 -4.161 733 3HB ALA 97 3HB ALA 97 13.119 -6.141 -5.226 734 H LYS 98 H LYS 98 15.254 -6.767 -1.788 735 HA LYS 98 HA LYS 98 15.692 -4.169 -0.569 736 1HB LYS 98 1HB LYS 98 15.941 -5.376 1.492 737 2HB LYS 98 2HB LYS 98 14.687 -6.213 0.576 738 1HG LYS 98 1HG LYS 98 15.929 -8.074 0.956 739 2HG LYS 98 2HG LYS 98 16.968 -7.452 -0.328 740 1HD LYS 98 1HD LYS 98 18.638 -7.371 1.179 741 2HD LYS 98 2HD LYS 98 17.762 -6.064 1.976 742 1HE LYS 98 1HE LYS 98 18.013 -7.618 3.710 743 2HE LYS 98 2HE LYS 98 16.405 -8.002 3.096 744 1HZ LYS 98 1HZ LYS 98 17.778 -9.564 1.532 745 2HZ LYS 98 2HZ LYS 98 18.915 -9.481 2.791 746 3HZ LYS 98 3HZ LYS 98 17.353 -10.059 3.101 747 H ARG 99 H ARG 99 17.734 -6.669 -1.905 748 HA ARG 99 HA ARG 99 20.180 -5.625 -0.669 749 1HB ARG 99 1HB ARG 99 19.446 -8.032 -1.902 750 2HB ARG 99 2HB ARG 99 20.590 -7.291 -3.021 751 1HG ARG 99 1HG ARG 99 22.316 -7.762 -1.657 752 2HG ARG 99 2HG ARG 99 21.513 -6.973 -0.299 753 1HD ARG 99 1HD ARG 99 20.751 -8.940 0.553 754 2HD ARG 99 2HD ARG 99 20.367 -9.589 -1.042 755 HE ARG 99 HE ARG 99 22.547 -10.528 -1.145 756 1HH1 ARG 99 1HH1 ARG 99 23.578 -7.800 0.129 757 2HH1 ARG 99 2HH1 ARG 99 24.454 -8.451 1.474 758 1HH2 ARG 99 1HH2 ARG 99 23.076 -11.619 1.180 759 2HH2 ARG 99 2HH2 ARG 99 24.172 -10.613 2.067 760 H LYS 100 H LYS 100 18.365 -5.161 -3.619 761 HA LYS 100 HA LYS 100 20.573 -3.803 -4.995 762 1HB LYS 100 1HB LYS 100 17.655 -4.265 -5.628 763 2HB LYS 100 2HB LYS 100 18.663 -3.216 -6.625 764 1HG LYS 100 1HG LYS 100 20.125 -5.617 -6.141 765 2HG LYS 100 2HG LYS 100 18.504 -6.072 -6.665 766 1HD LYS 100 1HD LYS 100 18.736 -5.054 -8.735 767 2HD LYS 100 2HD LYS 100 19.916 -3.883 -8.143 768 1HE LYS 100 1HE LYS 100 21.585 -5.710 -7.923 769 2HE LYS 100 2HE LYS 100 20.408 -6.841 -8.589 770 1HZ LYS 100 1HZ LYS 100 20.445 -4.731 -10.340 771 2HZ LYS 100 2HZ LYS 100 22.079 -4.979 -9.944 772 3HZ LYS 100 3HZ LYS 100 21.158 -6.255 -10.577 773 H ALA 101 H ALA 101 17.851 -2.939 -2.970 774 HA ALA 101 HA ALA 101 18.047 -0.083 -3.643 775 1HB ALA 101 1HB ALA 101 15.997 -1.616 -2.707 776 2HB ALA 101 2HB ALA 101 16.582 -0.903 -1.203 777 3HB ALA 101 3HB ALA 101 16.065 0.137 -2.531 778 H GLU 102 H GLU 102 19.464 -2.293 -1.407 779 HA GLU 102 HA GLU 102 20.159 -0.297 0.602 780 1HB GLU 102 1HB GLU 102 20.022 -2.558 1.369 781 2HB GLU 102 2HB GLU 102 21.072 -3.133 0.075 782 1HG GLU 102 1HG GLU 102 22.175 -2.890 2.363 783 2HG GLU 102 2HG GLU 102 22.990 -2.071 1.030 784 H GLU 103 H GLU 103 21.767 -1.796 -2.185 785 HA GLU 103 HA GLU 103 24.323 -0.525 -1.686 786 1HB GLU 103 1HB GLU 103 23.595 -2.577 -3.256 787 2HB GLU 103 2HB GLU 103 23.538 -1.289 -4.460 788 1HG GLU 103 1HG GLU 103 25.818 -0.782 -4.215 789 2HG GLU 103 2HG GLU 103 25.915 -1.558 -2.632 790 H HIS 104 H HIS 104 21.554 0.224 -3.809 791 HA HIS 104 HA HIS 104 22.697 2.504 -5.075 792 1HB HIS 104 1HB HIS 104 20.167 1.221 -5.015 793 2HB HIS 104 2HB HIS 104 19.886 2.916 -4.616 794 HD1 HIS 104 HD1 HIS 104 21.260 0.704 -7.343 795 HD2 HIS 104 HD2 HIS 104 20.398 4.734 -6.721 796 HE1 HIS 104 HE1 HIS 104 21.459 1.836 -9.600 797 H ILE 105 H ILE 105 21.294 2.072 -1.897 798 HA ILE 105 HA ILE 105 21.227 4.984 -1.404 799 HB ILE 105 HB ILE 105 20.603 2.615 0.386 800 1HG1 ILE 105 1HG1 ILE 105 18.751 4.636 -0.913 801 2HG1 ILE 105 2HG1 ILE 105 19.061 3.026 -1.566 802 1HG2 ILE 105 1HG2 ILE 105 20.904 5.494 0.897 803 2HG2 ILE 105 2HG2 ILE 105 19.367 4.832 1.450 804 3HG2 ILE 105 3HG2 ILE 105 20.884 4.147 2.034 805 1HD1 ILE 105 1HD1 ILE 105 18.257 3.239 1.306 806 2HD1 ILE 105 2HD1 ILE 105 17.011 3.469 0.079 807 3HD1 ILE 105 3HD1 ILE 105 17.921 1.960 0.140 808 H SER 106 H SER 106 23.772 3.471 -1.923 809 HA SER 106 HA SER 106 25.133 3.700 0.705 810 1HB SER 106 1HB SER 106 25.409 1.772 -1.102 811 2HB SER 106 2HB SER 106 26.560 2.904 -1.805 812 HG SER 106 HG SER 106 26.534 1.870 0.841 813 H SER 107 H SER 107 24.611 5.497 -2.157 814 HA SER 107 HA SER 107 26.861 7.316 -1.395 815 1HB SER 107 1HB SER 107 27.180 7.855 -3.744 816 2HB SER 107 2HB SER 107 27.270 6.106 -3.552 817 HG SER 107 HG SER 107 24.839 6.346 -3.976 818 H SER 108 H SER 108 25.902 9.062 -0.470 819 HA SER 108 HA SER 108 23.915 10.577 -2.002 820 1HB SER 108 1HB SER 108 23.145 8.866 0.252 821 2HB SER 108 2HB SER 108 22.659 10.545 0.465 822 HG SER 108 HG SER 108 21.068 9.478 -0.689 823 H HIS 109 H HIS 109 23.636 12.742 -1.107 824 HA HIS 109 HA HIS 109 25.885 13.488 0.713 825 1HB HIS 109 1HB HIS 109 24.764 14.666 -1.713 826 2HB HIS 109 2HB HIS 109 24.861 15.833 -0.395 827 HD1 HIS 109 HD1 HIS 109 27.375 15.277 1.013 828 HD2 HIS 109 HD2 HIS 109 27.124 14.833 -3.123 829 HE1 HIS 109 HE1 HIS 109 29.746 15.406 0.136 830 H GLY 110 H GLY 110 22.851 15.182 -0.079 831 1HA GLY 110 1HA GLY 110 21.509 14.689 2.379 832 2HA GLY 110 2HA GLY 110 22.471 16.156 2.572 833 H ASP 111 H ASP 111 20.025 16.849 2.836 834 HA ASP 111 HA ASP 111 18.474 18.388 1.946 835 1HB ASP 111 1HB ASP 111 20.590 18.493 0.100 836 2HB ASP 111 2HB ASP 111 19.145 18.207 -0.869 837 H VAL 112 H VAL 112 18.954 16.348 -0.932 838 HA VAL 112 HA VAL 112 16.355 15.018 -0.332 839 HB VAL 112 HB VAL 112 15.540 15.401 -2.558 840 1HG1 VAL 112 1HG1 VAL 112 16.827 17.921 -1.464 841 2HG1 VAL 112 2HG1 VAL 112 15.563 17.898 -2.693 842 3HG1 VAL 112 3HG1 VAL 112 15.223 17.311 -1.066 843 1HG2 VAL 112 1HG2 VAL 112 18.386 15.840 -3.075 844 2HG2 VAL 112 2HG2 VAL 112 17.107 15.363 -4.192 845 3HG2 VAL 112 3HG2 VAL 112 17.371 17.070 -3.829 846 H ASP 113 H ASP 113 19.491 14.532 -0.703 847 HA ASP 113 HA ASP 113 19.549 12.413 -2.701 848 1HB ASP 113 1HB ASP 113 21.437 13.478 -0.616 849 2HB ASP 113 2HB ASP 113 21.802 11.965 -1.448 850 H TYR 114 H TYR 114 20.839 11.829 0.503 851 HA TYR 114 HA TYR 114 19.539 9.234 0.649 852 1HB TYR 114 1HB TYR 114 21.689 9.458 1.719 853 2HB TYR 114 2HB TYR 114 21.146 10.858 2.644 854 HD1 TYR 114 HD1 TYR 114 20.830 7.194 2.247 855 HD2 TYR 114 HD2 TYR 114 19.808 10.611 4.638 856 HE1 TYR 114 HE1 TYR 114 20.051 5.692 4.058 857 HE2 TYR 114 HE2 TYR 114 19.028 9.109 6.451 858 HH TYR 114 HH TYR 114 18.381 6.929 6.881 859 H ALA 115 H ALA 115 18.719 12.444 1.466 860 HA ALA 115 HA ALA 115 16.918 11.991 3.648 861 1HB ALA 115 1HB ALA 115 17.776 14.172 1.979 862 2HB ALA 115 2HB ALA 115 16.012 14.178 2.072 863 3HB ALA 115 3HB ALA 115 16.973 14.243 3.551 864 H GLN 116 H GLN 116 16.553 11.904 0.126 865 HA GLN 116 HA GLN 116 13.657 11.359 0.375 866 1HB GLN 116 1HB GLN 116 15.547 11.918 -1.886 867 2HB GLN 116 2HB GLN 116 14.037 11.072 -2.232 868 1HG GLN 116 1HG GLN 116 13.744 13.424 -0.473 869 2HG GLN 116 2HG GLN 116 14.276 13.795 -2.113 870 1HE2 GLN 116 2HE2 GLN 116 12.018 14.800 -2.276 871 2HE2 GLN 116 1HE2 GLN 116 10.721 13.781 -2.678 872 H ALA 117 H ALA 117 16.674 9.693 -0.353 873 HA ALA 117 HA ALA 117 15.492 7.261 -1.330 874 1HB ALA 117 1HB ALA 117 18.174 7.886 -0.079 875 2HB ALA 117 2HB ALA 117 17.745 6.271 -0.644 876 3HB ALA 117 3HB ALA 117 17.812 7.616 -1.783 877 H SER 118 H SER 118 15.973 8.558 1.871 878 HA SER 118 HA SER 118 15.969 6.213 3.433 879 1HB SER 118 1HB SER 118 15.972 8.822 4.051 880 2HB SER 118 2HB SER 118 14.268 8.490 4.345 881 HG SER 118 HG SER 118 15.030 6.680 5.643 882 H ALA 119 H ALA 119 13.317 7.794 1.730 883 HA ALA 119 HA ALA 119 11.329 5.984 2.945 884 1HB ALA 119 1HB ALA 119 11.268 8.402 1.227 885 2HB ALA 119 2HB ALA 119 9.976 7.232 0.952 886 3HB ALA 119 3HB ALA 119 10.203 7.935 2.554 887 H GLU 120 H GLU 120 13.247 6.240 0.038 888 HA GLU 120 HA GLU 120 11.699 4.533 -1.656 889 1HB GLU 120 1HB GLU 120 14.704 4.947 -1.561 890 2HB GLU 120 2HB GLU 120 13.824 4.191 -2.890 891 1HG GLU 120 1HG GLU 120 12.838 6.854 -2.014 892 2HG GLU 120 2HG GLU 120 14.400 6.832 -2.835 893 H LEU 121 H LEU 121 14.367 3.806 0.604 894 HA LEU 121 HA LEU 121 14.496 1.012 0.129 895 1HB LEU 121 1HB LEU 121 16.228 1.970 1.450 896 2HB LEU 121 2HB LEU 121 15.077 2.695 2.572 897 HG LEU 121 HG LEU 121 14.725 -0.192 2.398 898 1HD1 LEU 121 1HD1 LEU 121 17.431 0.908 3.213 899 2HD1 LEU 121 2HD1 LEU 121 16.856 -0.700 3.654 900 3HD1 LEU 121 3HD1 LEU 121 17.101 -0.285 1.958 901 1HD2 LEU 121 1HD2 LEU 121 13.878 1.419 4.158 902 2HD2 LEU 121 2HD2 LEU 121 14.722 0.013 4.806 903 3HD2 LEU 121 3HD2 LEU 121 15.540 1.573 4.726 904 H ALA 122 H ALA 122 12.645 2.767 2.645 905 HA ALA 122 HA ALA 122 11.307 0.472 3.673 906 1HB ALA 122 1HB ALA 122 11.207 3.312 4.049 907 2HB ALA 122 2HB ALA 122 9.559 2.714 3.857 908 3HB ALA 122 3HB ALA 122 10.599 2.045 5.115 909 H LYS 123 H LYS 123 10.865 2.205 0.722 910 HA LYS 123 HA LYS 123 8.081 1.531 0.307 911 1HB LYS 123 1HB LYS 123 9.843 3.198 -0.951 912 2HB LYS 123 2HB LYS 123 9.792 1.846 -2.083 913 1HG LYS 123 1HG LYS 123 7.313 1.973 -2.097 914 2HG LYS 123 2HG LYS 123 7.392 3.362 -1.013 915 1HD LYS 123 1HD LYS 123 9.110 3.631 -3.380 916 2HD LYS 123 2HD LYS 123 7.393 3.506 -3.768 917 1HE LYS 123 1HE LYS 123 7.870 5.841 -3.433 918 2HE LYS 123 2HE LYS 123 6.970 5.290 -2.019 919 1HZ LYS 123 1HZ LYS 123 9.801 4.933 -1.755 920 2HZ LYS 123 2HZ LYS 123 9.368 6.561 -1.974 921 3HZ LYS 123 3HZ LYS 123 8.699 5.670 -0.694 922 H ALA 124 H ALA 124 11.132 -0.111 -0.267 923 HA ALA 124 HA ALA 124 9.809 -2.215 -1.861 924 1HB ALA 124 1HB ALA 124 12.318 -1.223 -1.987 925 2HB ALA 124 2HB ALA 124 12.595 -2.581 -0.897 926 3HB ALA 124 3HB ALA 124 11.913 -2.862 -2.498 927 H ILE 125 H ILE 125 10.822 -1.625 1.424 928 HA ILE 125 HA ILE 125 10.750 -4.450 2.184 929 HB ILE 125 HB ILE 125 10.643 -2.055 4.031 930 1HG1 ILE 125 1HG1 ILE 125 12.521 -1.727 2.511 931 2HG1 ILE 125 2HG1 ILE 125 13.145 -2.267 4.072 932 1HG2 ILE 125 1HG2 ILE 125 11.532 -4.940 4.291 933 2HG2 ILE 125 2HG2 ILE 125 11.927 -3.706 5.487 934 3HG2 ILE 125 3HG2 ILE 125 10.243 -4.126 5.178 935 1HD1 ILE 125 1HD1 ILE 125 13.081 -4.635 3.139 936 2HD1 ILE 125 2HD1 ILE 125 12.779 -3.912 1.559 937 3HD1 ILE 125 3HD1 ILE 125 14.282 -3.567 2.413 938 H ALA 126 H ALA 126 8.334 -2.542 1.198 939 HA ALA 126 HA ALA 126 6.426 -3.161 3.369 940 1HB ALA 126 1HB ALA 126 6.384 -1.484 0.893 941 2HB ALA 126 2HB ALA 126 4.845 -2.084 1.513 942 3HB ALA 126 3HB ALA 126 5.873 -1.076 2.532 943 H GLN 127 H GLN 127 7.206 -4.170 0.082 944 HA GLN 127 HA GLN 127 4.872 -5.924 -0.116 945 1HB GLN 127 1HB GLN 127 5.847 -6.623 -2.244 946 2HB GLN 127 2HB GLN 127 5.929 -4.865 -2.116 947 1HG GLN 127 1HG GLN 127 8.288 -5.923 -0.911 948 2HG GLN 127 2HG GLN 127 8.085 -6.716 -2.474 949 1HE2 GLN 127 2HE2 GLN 127 9.235 -5.581 -4.038 950 2HE2 GLN 127 1HE2 GLN 127 9.335 -3.889 -4.141 951 H LEU 128 H LEU 128 8.165 -6.166 1.001 952 HA LEU 128 HA LEU 128 8.369 -9.046 0.834 953 1HB LEU 128 1HB LEU 128 10.052 -6.896 1.581 954 2HB LEU 128 2HB LEU 128 9.948 -7.956 2.987 955 HG LEU 128 HG LEU 128 10.210 -9.501 0.543 956 1HD1 LEU 128 1HD1 LEU 128 11.597 -7.077 0.445 957 2HD1 LEU 128 2HD1 LEU 128 12.800 -8.242 0.999 958 3HD1 LEU 128 3HD1 LEU 128 11.943 -8.514 -0.518 959 1HD2 LEU 128 1HD2 LEU 128 11.868 -9.164 3.063 960 2HD2 LEU 128 2HD2 LEU 128 10.657 -10.408 2.753 961 3HD2 LEU 128 3HD2 LEU 128 12.168 -10.401 1.843 962 H ARG 129 H ARG 129 6.669 -6.925 2.919 963 HA ARG 129 HA ARG 129 6.594 -8.855 5.156 964 1HB ARG 129 1HB ARG 129 5.777 -6.034 4.719 965 2HB ARG 129 2HB ARG 129 4.774 -6.962 5.834 966 1HG ARG 129 1HG ARG 129 7.791 -6.931 6.036 967 2HG ARG 129 2HG ARG 129 6.781 -5.743 6.863 968 1HD ARG 129 1HD ARG 129 5.934 -7.286 8.343 969 2HD ARG 129 2HD ARG 129 6.026 -8.607 7.179 970 HE ARG 129 HE ARG 129 8.565 -7.540 8.297 971 1HH1 ARG 129 1HH1 ARG 129 7.066 -10.185 6.948 972 2HH1 ARG 129 2HH1 ARG 129 7.668 -11.345 8.085 973 1HH2 ARG 129 1HH2 ARG 129 8.969 -8.958 10.234 974 2HH2 ARG 129 2HH2 ARG 129 8.746 -10.650 9.944 975 H VAL 130 H VAL 130 4.230 -7.292 2.965 976 HA VAL 130 HA VAL 130 1.971 -8.793 3.764 977 HB VAL 130 HB VAL 130 1.094 -8.277 1.462 978 1HG1 VAL 130 1HG1 VAL 130 2.210 -6.309 3.381 979 2HG1 VAL 130 2HG1 VAL 130 1.768 -5.668 1.798 980 3HG1 VAL 130 3HG1 VAL 130 0.558 -6.490 2.787 981 1HG2 VAL 130 1HG2 VAL 130 3.870 -7.109 1.127 982 2HG2 VAL 130 2HG2 VAL 130 3.207 -8.480 0.236 983 3HG2 VAL 130 3HG2 VAL 130 2.524 -6.869 0.011 984 H ILE 131 H ILE 131 4.646 -9.679 1.661 985 HA ILE 131 HA ILE 131 3.413 -11.940 0.406 986 HB ILE 131 HB ILE 131 5.523 -11.008 -0.422 987 1HG1 ILE 131 1HG1 ILE 131 5.956 -13.808 0.666 988 2HG1 ILE 131 2HG1 ILE 131 5.005 -13.439 -0.773 989 1HG2 ILE 131 1HG2 ILE 131 6.373 -10.417 1.887 990 2HG2 ILE 131 2HG2 ILE 131 6.792 -12.118 2.095 991 3HG2 ILE 131 3HG2 ILE 131 7.574 -11.164 0.835 992 1HD1 ILE 131 1HD1 ILE 131 7.781 -12.338 -0.604 993 2HD1 ILE 131 2HD1 ILE 131 7.589 -14.056 -0.956 994 3HD1 ILE 131 3HD1 ILE 131 6.862 -12.851 -2.020 995 H GLU 132 H GLU 132 5.298 -11.631 3.419 996 HA GLU 132 HA GLU 132 5.364 -14.401 4.072 997 1HB GLU 132 1HB GLU 132 5.341 -11.937 5.834 998 2HB GLU 132 2HB GLU 132 5.595 -13.568 6.454 999 1HG GLU 132 1HG GLU 132 7.267 -12.622 4.153 1000 2HG GLU 132 2HG GLU 132 7.664 -12.068 5.779 1001 H LEU 133 H LEU 133 2.792 -12.065 4.225 1002 HA LEU 133 HA LEU 133 1.161 -13.557 6.116 1003 1HB LEU 133 1HB LEU 133 0.861 -11.130 4.434 1004 2HB LEU 133 2HB LEU 133 -0.630 -11.988 4.825 1005 HG LEU 133 HG LEU 133 0.685 -11.990 7.244 1006 1HD1 LEU 133 1HD1 LEU 133 1.969 -10.032 5.649 1007 2HD1 LEU 133 2HD1 LEU 133 0.941 -9.156 6.784 1008 3HD1 LEU 133 3HD1 LEU 133 2.152 -10.289 7.385 1009 1HD2 LEU 133 1HD2 LEU 133 -1.665 -10.936 6.095 1010 2HD2 LEU 133 2HD2 LEU 133 -1.301 -11.083 7.814 1011 3HD2 LEU 133 3HD2 LEU 133 -0.915 -9.592 6.954 1012 H THR 134 H THR 134 1.045 -13.101 2.563 1013 HA THR 134 HA THR 134 -1.114 -14.993 2.216 1014 HB THR 134 HB THR 134 -0.582 -13.226 0.548 1015 HG1 THR 134 HG1 THR 134 -0.181 -15.794 -0.565 1016 1HG2 THR 134 1HG2 THR 134 1.954 -14.839 0.337 1017 2HG2 THR 134 2HG2 THR 134 1.391 -13.851 -1.010 1018 3HG2 THR 134 3HG2 THR 134 1.772 -13.097 0.538 1019 H LYS 135 H LYS 135 2.272 -15.326 2.726 1020 HA LYS 135 HA LYS 135 2.910 -17.679 1.329 1021 1HB LYS 135 1HB LYS 135 3.850 -16.390 3.834 1022 2HB LYS 135 2HB LYS 135 4.241 -18.101 3.651 1023 1HG LYS 135 1HG LYS 135 4.781 -16.026 1.510 1024 2HG LYS 135 2HG LYS 135 5.980 -16.530 2.701 1025 1HD LYS 135 1HD LYS 135 4.794 -18.876 1.557 1026 2HD LYS 135 2HD LYS 135 5.313 -17.812 0.248 1027 1HE LYS 135 1HE LYS 135 7.432 -18.483 0.596 1028 2HE LYS 135 2HE LYS 135 7.368 -17.749 2.197 1029 1HZ LYS 135 1HZ LYS 135 6.219 -20.422 1.717 1030 2HZ LYS 135 2HZ LYS 135 7.880 -20.238 2.014 1031 3HZ LYS 135 3HZ LYS 135 6.747 -19.735 3.177 1032 H LYS 136 H LYS 136 1.545 -17.454 4.640 1033 HA LYS 136 HA LYS 136 0.972 -20.344 4.597 1034 1HB LYS 136 1HB LYS 136 0.159 -19.985 6.890 1035 2HB LYS 136 2HB LYS 136 1.751 -19.255 6.683 1036 1HG LYS 136 1HG LYS 136 0.639 -17.060 6.241 1037 2HG LYS 136 2HG LYS 136 -0.916 -17.814 6.595 1038 1HD LYS 136 1HD LYS 136 1.406 -17.826 8.538 1039 2HD LYS 136 2HD LYS 136 0.143 -16.595 8.552 1040 1HE LYS 136 1HE LYS 136 -1.077 -19.197 8.419 1041 2HE LYS 136 2HE LYS 136 0.067 -19.160 9.761 1042 1HZ LYS 136 1HZ LYS 136 -1.300 -16.739 9.768 1043 2HZ LYS 136 2HZ LYS 136 -2.469 -17.958 9.583 1044 3HZ LYS 136 3HZ LYS 136 -1.403 -17.993 10.905 1045 H ALA 137 H ALA 137 -0.542 -17.596 3.432 1046 HA ALA 137 HA ALA 137 -3.268 -17.995 4.150 1047 1HB ALA 137 1HB ALA 137 -1.870 -16.705 1.827 1048 2HB ALA 137 2HB ALA 137 -3.618 -16.930 1.763 1049 3HB ALA 137 3HB ALA 137 -2.898 -15.968 3.055 1050 H MET 138 H MET 138 -1.244 -19.519 1.691 1051 HA MET 138 HA MET 138 -3.523 -21.368 1.110 1052 1HB MET 138 1HB MET 138 -2.113 -19.681 -0.693 1053 2HB MET 138 2HB MET 138 -1.615 -21.338 -1.038 1054 1HG MET 138 1HG MET 138 -3.939 -22.037 -1.262 1055 2HG MET 138 2HG MET 138 -4.498 -20.432 -0.792 1056 1HE MET 138 1HE MET 138 -4.852 -22.476 -3.190 1057 2HE MET 138 2HE MET 138 -5.863 -21.067 -3.505 1058 3HE MET 138 3HE MET 138 -4.740 -21.650 -4.742 Start of MODEL 28 1 1H ALA 1 1H ALA 1 -19.860 4.544 12.224 2 2H ALA 1 2H ALA 1 -19.789 4.708 13.914 3 3H ALA 1 3H ALA 1 -18.563 5.369 12.941 4 HA ALA 1 HA ALA 1 -17.538 3.393 12.596 5 1HB ALA 1 1HB ALA 1 -18.378 3.861 15.211 6 2HB ALA 1 2HB ALA 1 -18.785 2.167 14.936 7 3HB ALA 1 3HB ALA 1 -17.125 2.722 14.715 8 H MET 2 H MET 2 -18.609 2.522 10.713 9 HA MET 2 HA MET 2 -20.000 0.004 11.264 10 1HB MET 2 1HB MET 2 -21.721 2.001 11.156 11 2HB MET 2 2HB MET 2 -21.456 1.869 9.417 12 1HG MET 2 1HG MET 2 -22.977 0.202 9.426 13 2HG MET 2 2HG MET 2 -21.768 -0.775 10.259 14 1HE MET 2 1HE MET 2 -24.606 -0.973 10.022 15 2HE MET 2 2HE MET 2 -24.842 -1.788 11.566 16 3HE MET 2 3HE MET 2 -25.691 -0.275 11.222 17 H THR 3 H THR 3 -19.756 -1.437 9.541 18 HA THR 3 HA THR 3 -17.638 -1.200 7.755 19 HB THR 3 HB THR 3 -18.982 -2.849 6.297 20 HG1 THR 3 HG1 THR 3 -20.990 -3.093 6.794 21 1HG2 THR 3 1HG2 THR 3 -18.456 -3.325 9.237 22 2HG2 THR 3 2HG2 THR 3 -18.865 -4.616 8.107 23 3HG2 THR 3 3HG2 THR 3 -17.387 -3.683 7.881 24 H TYR 4 H TYR 4 -17.302 -0.210 5.839 25 HA TYR 4 HA TYR 4 -19.614 1.041 4.437 26 1HB TYR 4 1HB TYR 4 -18.408 3.093 4.117 27 2HB TYR 4 2HB TYR 4 -18.290 2.719 5.835 28 HD1 TYR 4 HD1 TYR 4 -16.211 1.110 6.439 29 HD2 TYR 4 HD2 TYR 4 -16.449 3.701 3.018 30 HE1 TYR 4 HE1 TYR 4 -13.743 1.103 6.263 31 HE2 TYR 4 HE2 TYR 4 -13.970 3.698 2.848 32 HH TYR 4 HH TYR 4 -12.099 2.490 3.518 33 H HIS 5 H HIS 5 -18.615 1.843 2.150 34 HA HIS 5 HA HIS 5 -17.137 -0.536 1.136 35 1HB HIS 5 1HB HIS 5 -19.092 -0.389 -0.133 36 2HB HIS 5 2HB HIS 5 -19.095 1.374 -0.106 37 HD1 HIS 5 HD1 HIS 5 -18.218 -1.412 -2.258 38 HD2 HIS 5 HD2 HIS 5 -16.751 2.438 -1.666 39 HE1 HIS 5 HE1 HIS 5 -16.779 -0.869 -4.272 40 H LEU 6 H LEU 6 -15.319 -0.266 -0.221 41 HA LEU 6 HA LEU 6 -14.297 2.478 -0.519 42 1HB LEU 6 1HB LEU 6 -12.281 2.131 0.557 43 2HB LEU 6 2HB LEU 6 -13.335 1.119 1.544 44 HG LEU 6 HG LEU 6 -12.747 -0.730 -0.188 45 1HD1 LEU 6 1HD1 LEU 6 -10.928 1.489 -0.872 46 2HD1 LEU 6 2HD1 LEU 6 -10.137 -0.078 -0.697 47 3HD1 LEU 6 3HD1 LEU 6 -11.453 0.121 -1.852 48 1HD2 LEU 6 1HD2 LEU 6 -11.389 0.255 2.202 49 2HD2 LEU 6 2HD2 LEU 6 -11.823 -1.396 1.765 50 3HD2 LEU 6 3HD2 LEU 6 -10.320 -0.691 1.167 51 H ASP 7 H ASP 7 -12.675 2.638 -2.276 52 HA ASP 7 HA ASP 7 -12.487 0.227 -3.996 53 1HB ASP 7 1HB ASP 7 -14.288 2.408 -4.491 54 2HB ASP 7 2HB ASP 7 -13.042 2.400 -5.739 55 H VAL 8 H VAL 8 -10.229 0.223 -3.679 56 HA VAL 8 HA VAL 8 -8.765 2.646 -4.624 57 HB VAL 8 HB VAL 8 -8.130 1.938 -2.371 58 1HG1 VAL 8 1HG1 VAL 8 -8.599 -0.645 -3.420 59 2HG1 VAL 8 2HG1 VAL 8 -6.881 -0.586 -3.023 60 3HG1 VAL 8 3HG1 VAL 8 -8.086 -0.237 -1.782 61 1HG2 VAL 8 1HG2 VAL 8 -6.392 2.219 -4.559 62 2HG2 VAL 8 2HG2 VAL 8 -5.975 2.395 -2.855 63 3HG2 VAL 8 3HG2 VAL 8 -5.773 0.837 -3.656 64 H VAL 9 H VAL 9 -8.775 2.265 -6.864 65 HA VAL 9 HA VAL 9 -7.501 -0.299 -7.738 66 HB VAL 9 HB VAL 9 -8.731 -0.041 -9.852 67 1HG1 VAL 9 1HG1 VAL 9 -9.734 -1.079 -7.679 68 2HG1 VAL 9 2HG1 VAL 9 -10.747 0.365 -7.653 69 3HG1 VAL 9 3HG1 VAL 9 -10.819 -0.736 -9.028 70 1HG2 VAL 9 1HG2 VAL 9 -9.646 2.509 -8.511 71 2HG2 VAL 9 2HG2 VAL 9 -8.932 2.312 -10.112 72 3HG2 VAL 9 3HG2 VAL 9 -10.580 1.764 -9.808 73 H SER 10 H SER 10 -6.181 -0.093 -9.738 74 HA SER 10 HA SER 10 -4.723 2.506 -9.738 75 1HB SER 10 1HB SER 10 -3.590 0.174 -9.379 76 2HB SER 10 2HB SER 10 -3.772 0.007 -11.124 77 HG SER 10 HG SER 10 -1.816 0.978 -10.759 78 H ALA 11 H ALA 11 -3.517 2.108 -12.319 79 HA ALA 11 HA ALA 11 -5.565 3.258 -13.990 80 1HB ALA 11 1HB ALA 11 -2.717 2.728 -14.155 81 2HB ALA 11 2HB ALA 11 -3.518 2.312 -15.669 82 3HB ALA 11 3HB ALA 11 -3.672 3.939 -15.009 83 H GLU 12 H GLU 12 -3.924 0.075 -14.063 84 HA GLU 12 HA GLU 12 -6.387 -1.049 -15.292 85 1HB GLU 12 1HB GLU 12 -3.580 -1.357 -16.398 86 2HB GLU 12 2HB GLU 12 -4.956 -2.337 -16.906 87 1HG GLU 12 1HG GLU 12 -5.856 0.326 -17.029 88 2HG GLU 12 2HG GLU 12 -4.234 0.348 -17.722 89 H GLN 13 H GLN 13 -6.279 -1.657 -12.855 90 HA GLN 13 HA GLN 13 -5.840 -4.409 -12.564 91 1HB GLN 13 1HB GLN 13 -3.392 -2.834 -12.331 92 2HB GLN 13 2HB GLN 13 -3.722 -3.762 -10.868 93 1HG GLN 13 1HG GLN 13 -4.009 -5.091 -13.545 94 2HG GLN 13 2HG GLN 13 -2.400 -4.883 -12.851 95 1HE2 GLN 13 2HE2 GLN 13 -3.500 -7.493 -13.175 96 2HE2 GLN 13 1HE2 GLN 13 -3.817 -8.145 -11.641 97 H GLN 14 H GLN 14 -7.913 -3.343 -11.628 98 HA GLN 14 HA GLN 14 -8.096 -1.805 -9.343 99 1HB GLN 14 1HB GLN 14 -10.135 -3.081 -8.768 100 2HB GLN 14 2HB GLN 14 -10.062 -2.742 -10.498 101 1HG GLN 14 1HG GLN 14 -8.935 -5.042 -10.729 102 2HG GLN 14 2HG GLN 14 -9.484 -5.346 -9.081 103 1HE2 GLN 14 2HE2 GLN 14 -10.737 -7.099 -10.482 104 2HE2 GLN 14 1HE2 GLN 14 -12.278 -6.631 -11.022 105 H MET 15 H MET 15 -8.260 -2.377 -7.040 106 HA MET 15 HA MET 15 -6.659 -4.800 -6.328 107 1HB MET 15 1HB MET 15 -6.549 -2.165 -4.839 108 2HB MET 15 2HB MET 15 -5.489 -3.562 -4.641 109 1HG MET 15 1HG MET 15 -5.716 -2.048 -7.249 110 2HG MET 15 2HG MET 15 -4.528 -1.637 -6.012 111 1HE MET 15 1HE MET 15 -2.641 -2.159 -5.923 112 2HE MET 15 2HE MET 15 -2.340 -3.795 -5.345 113 3HE MET 15 3HE MET 15 -1.702 -3.276 -6.911 114 H PHE 16 H PHE 16 -8.360 -2.295 -4.414 115 HA PHE 16 HA PHE 16 -9.974 -4.522 -3.235 116 1HB PHE 16 1HB PHE 16 -8.405 -3.358 -1.648 117 2HB PHE 16 2HB PHE 16 -9.305 -1.865 -1.931 118 HD1 PHE 16 HD1 PHE 16 -11.724 -1.723 -1.299 119 HD2 PHE 16 HD2 PHE 16 -9.302 -5.108 -0.264 120 HE1 PHE 16 HE1 PHE 16 -13.438 -2.435 0.306 121 HE2 PHE 16 HE2 PHE 16 -11.022 -5.834 1.360 122 HZ PHE 16 HZ PHE 16 -13.092 -4.501 1.646 123 H SER 17 H SER 17 -11.734 -4.361 -4.672 124 HA SER 17 HA SER 17 -13.257 -1.790 -4.493 125 1HB SER 17 1HB SER 17 -14.054 -2.146 -6.756 126 2HB SER 17 2HB SER 17 -12.296 -2.244 -6.774 127 HG SER 17 HG SER 17 -13.250 -3.975 -7.914 128 H GLY 18 H GLY 18 -14.626 -2.472 -2.816 129 1HA GLY 18 1HA GLY 18 -16.975 -3.866 -3.421 130 2HA GLY 18 2HA GLY 18 -15.874 -5.076 -2.759 131 H LEU 19 H LEU 19 -17.431 -5.223 -0.944 132 HA LEU 19 HA LEU 19 -17.948 -2.967 0.765 133 1HB LEU 19 1HB LEU 19 -17.953 -5.909 1.498 134 2HB LEU 19 2HB LEU 19 -18.769 -4.607 2.367 135 HG LEU 19 HG LEU 19 -19.412 -5.729 -0.362 136 1HD1 LEU 19 1HD1 LEU 19 -21.041 -5.159 2.132 137 2HD1 LEU 19 2HD1 LEU 19 -21.687 -5.827 0.632 138 3HD1 LEU 19 3HD1 LEU 19 -20.514 -6.747 1.575 139 1HD2 LEU 19 1HD2 LEU 19 -19.290 -3.219 -0.489 140 2HD2 LEU 19 2HD2 LEU 19 -20.920 -3.847 -0.738 141 3HD2 LEU 19 3HD2 LEU 19 -20.477 -3.138 0.814 142 H VAL 20 H VAL 20 -17.066 -2.714 2.992 143 HA VAL 20 HA VAL 20 -14.541 -4.007 3.630 144 HB VAL 20 HB VAL 20 -13.354 -2.661 2.243 145 1HG1 VAL 20 1HG1 VAL 20 -15.475 -1.711 1.271 146 2HG1 VAL 20 2HG1 VAL 20 -15.350 -0.419 2.463 147 3HG1 VAL 20 3HG1 VAL 20 -14.092 -0.626 1.250 148 1HG2 VAL 20 1HG2 VAL 20 -13.889 -0.810 4.556 149 2HG2 VAL 20 2HG2 VAL 20 -12.467 -1.824 4.263 150 3HG2 VAL 20 3HG2 VAL 20 -12.768 -0.412 3.246 151 H GLU 21 H GLU 21 -13.646 -3.192 5.679 152 HA GLU 21 HA GLU 21 -15.632 -1.633 7.276 153 1HB GLU 21 1HB GLU 21 -15.622 -4.198 7.652 154 2HB GLU 21 2HB GLU 21 -14.063 -3.936 8.431 155 1HG GLU 21 1HG GLU 21 -16.048 -2.010 9.342 156 2HG GLU 21 2HG GLU 21 -16.570 -3.669 9.634 157 H LYS 22 H LYS 22 -12.258 -2.649 6.817 158 HA LYS 22 HA LYS 22 -11.403 -0.101 8.001 159 1HB LYS 22 1HB LYS 22 -11.535 -1.445 10.001 160 2HB LYS 22 2HB LYS 22 -10.673 -2.774 9.222 161 1HG LYS 22 1HG LYS 22 -8.697 -1.868 9.785 162 2HG LYS 22 2HG LYS 22 -9.126 -0.367 8.964 163 1HD LYS 22 1HD LYS 22 -8.742 0.237 11.241 164 2HD LYS 22 2HD LYS 22 -10.495 0.217 11.043 165 1HE LYS 22 1HE LYS 22 -10.018 -0.961 13.083 166 2HE LYS 22 2HE LYS 22 -10.458 -2.176 11.883 167 1HZ LYS 22 1HZ LYS 22 -7.740 -1.792 11.618 168 2HZ LYS 22 2HZ LYS 22 -8.019 -1.858 13.289 169 3HZ LYS 22 3HZ LYS 22 -8.523 -3.139 12.295 170 H ILE 23 H ILE 23 -10.365 0.429 6.082 171 HA ILE 23 HA ILE 23 -8.309 -1.465 5.018 172 HB ILE 23 HB ILE 23 -9.494 -0.703 3.165 173 1HG1 ILE 23 1HG1 ILE 23 -7.419 1.474 3.594 174 2HG1 ILE 23 2HG1 ILE 23 -7.149 -0.075 2.797 175 1HG2 ILE 23 1HG2 ILE 23 -9.878 1.807 4.773 176 2HG2 ILE 23 2HG2 ILE 23 -10.177 1.803 3.037 177 3HG2 ILE 23 3HG2 ILE 23 -11.095 0.729 4.092 178 1HD1 ILE 23 1HD1 ILE 23 -9.307 1.772 1.808 179 2HD1 ILE 23 2HD1 ILE 23 -7.631 2.025 1.321 180 3HD1 ILE 23 3HD1 ILE 23 -8.443 0.510 0.931 181 H GLN 24 H GLN 24 -6.084 -0.536 4.686 182 HA GLN 24 HA GLN 24 -5.516 2.003 6.092 183 1HB GLN 24 1HB GLN 24 -5.503 -0.101 7.698 184 2HB GLN 24 2HB GLN 24 -3.917 -0.370 6.974 185 1HG GLN 24 1HG GLN 24 -3.384 2.058 7.523 186 2HG GLN 24 2HG GLN 24 -4.864 2.076 8.485 187 1HE2 GLN 24 2HE2 GLN 24 -1.656 1.822 8.959 188 2HE2 GLN 24 1HE2 GLN 24 -1.611 0.726 10.254 189 H VAL 25 H VAL 25 -3.803 3.033 5.177 190 HA VAL 25 HA VAL 25 -2.189 1.492 3.189 191 HB VAL 25 HB VAL 25 -2.603 4.493 3.373 192 1HG1 VAL 25 1HG1 VAL 25 -0.740 2.877 1.955 193 2HG1 VAL 25 2HG1 VAL 25 -1.904 3.482 0.776 194 3HG1 VAL 25 3HG1 VAL 25 -1.009 4.613 1.790 195 1HG2 VAL 25 1HG2 VAL 25 -4.651 2.994 2.841 196 2HG2 VAL 25 2HG2 VAL 25 -4.280 4.301 1.716 197 3HG2 VAL 25 3HG2 VAL 25 -3.824 2.643 1.324 198 H THR 26 H THR 26 0.071 1.575 3.345 199 HA THR 26 HA THR 26 1.190 3.156 5.617 200 HB THR 26 HB THR 26 2.053 0.349 4.864 201 HG1 THR 26 HG1 THR 26 0.383 1.307 6.944 202 1HG2 THR 26 1HG2 THR 26 3.158 2.442 6.519 203 2HG2 THR 26 2HG2 THR 26 2.744 1.042 7.510 204 3HG2 THR 26 3HG2 THR 26 3.835 0.858 6.136 205 H GLY 27 H GLY 27 2.524 4.626 4.693 206 1HA GLY 27 1HA GLY 27 4.365 3.670 2.540 207 2HA GLY 27 2HA GLY 27 3.546 5.227 2.399 208 H SER 28 H SER 28 4.649 6.970 3.177 209 HA SER 28 HA SER 28 6.955 6.428 4.997 210 1HB SER 28 1HB SER 28 6.414 8.675 3.041 211 2HB SER 28 2HB SER 28 7.726 8.720 4.215 212 HG SER 28 HG SER 28 8.473 6.745 3.287 213 H GLU 29 H GLU 29 4.690 9.141 4.357 214 HA GLU 29 HA GLU 29 4.658 9.626 7.304 215 1HB GLU 29 1HB GLU 29 4.322 11.411 4.909 216 2HB GLU 29 2HB GLU 29 3.585 11.871 6.443 217 1HG GLU 29 1HG GLU 29 6.105 11.107 7.235 218 2HG GLU 29 2HG GLU 29 6.423 11.842 5.664 219 H GLY 30 H GLY 30 2.752 8.592 4.636 220 1HA GLY 30 1HA GLY 30 0.186 9.240 5.931 221 2HA GLY 30 2HA GLY 30 0.386 8.393 4.396 222 H GLU 31 H GLU 31 -0.605 7.939 7.512 223 HA GLU 31 HA GLU 31 0.000 5.016 7.343 224 1HB GLU 31 1HB GLU 31 0.215 6.885 9.696 225 2HB GLU 31 2HB GLU 31 -0.110 5.169 9.948 226 1HG GLU 31 1HG GLU 31 2.009 4.574 9.413 227 2HG GLU 31 2HG GLU 31 2.061 5.674 8.034 228 H LEU 32 H LEU 32 -2.377 6.453 6.420 229 HA LEU 32 HA LEU 32 -4.365 5.065 8.152 230 1HB LEU 32 1HB LEU 32 -4.315 7.964 7.401 231 2HB LEU 32 2HB LEU 32 -5.882 7.148 7.488 232 HG LEU 32 HG LEU 32 -3.912 6.803 9.735 233 1HD1 LEU 32 1HD1 LEU 32 -4.805 9.337 8.887 234 2HD1 LEU 32 2HD1 LEU 32 -5.827 8.913 10.260 235 3HD1 LEU 32 3HD1 LEU 32 -4.074 8.938 10.442 236 1HD2 LEU 32 1HD2 LEU 32 -6.718 6.251 9.151 237 2HD2 LEU 32 2HD2 LEU 32 -5.694 5.598 10.431 238 3HD2 LEU 32 3HD2 LEU 32 -6.525 7.136 10.665 239 H GLY 33 H GLY 33 -5.982 4.064 6.987 240 1HA GLY 33 1HA GLY 33 -5.766 4.243 4.028 241 2HA GLY 33 2HA GLY 33 -6.543 2.927 4.911 242 H ILE 34 H ILE 34 -8.711 3.101 5.408 243 HA ILE 34 HA ILE 34 -10.031 5.715 5.341 244 HB ILE 34 HB ILE 34 -10.589 3.605 3.239 245 1HG1 ILE 34 1HG1 ILE 34 -8.858 5.315 2.733 246 2HG1 ILE 34 2HG1 ILE 34 -10.287 5.525 1.721 247 1HG2 ILE 34 1HG2 ILE 34 -12.687 4.457 4.364 248 2HG2 ILE 34 2HG2 ILE 34 -12.222 6.081 3.868 249 3HG2 ILE 34 3HG2 ILE 34 -12.577 4.857 2.651 250 1HD1 ILE 34 1HD1 ILE 34 -11.116 7.114 3.598 251 2HD1 ILE 34 2HD1 ILE 34 -9.424 7.150 4.106 252 3HD1 ILE 34 3HD1 ILE 34 -9.875 7.708 2.491 253 H TYR 35 H TYR 35 -12.162 5.617 6.240 254 HA TYR 35 HA TYR 35 -13.208 3.024 7.145 255 1HB TYR 35 1HB TYR 35 -12.832 5.027 9.330 256 2HB TYR 35 2HB TYR 35 -12.860 3.268 9.414 257 HD1 TYR 35 HD1 TYR 35 -10.756 6.070 8.035 258 HD2 TYR 35 HD2 TYR 35 -10.880 2.094 9.663 259 HE1 TYR 35 HE1 TYR 35 -8.279 5.999 8.057 260 HE2 TYR 35 HE2 TYR 35 -8.404 2.026 9.681 261 HH TYR 35 HH TYR 35 -6.521 3.933 9.806 262 HA PRO 36 HA PRO 36 -16.981 5.325 7.177 263 1HB PRO 36 1HB PRO 36 -18.245 4.590 9.505 264 2HB PRO 36 2HB PRO 36 -18.059 3.510 8.112 265 1HG PRO 36 1HG PRO 36 -16.644 3.450 10.724 266 2HG PRO 36 2HG PRO 36 -16.904 2.141 9.560 267 1HD PRO 36 1HD PRO 36 -14.515 3.650 9.930 268 2HD PRO 36 2HD PRO 36 -14.834 2.471 8.639 269 H GLY 37 H GLY 37 -14.840 6.934 8.176 270 1HA GLY 37 1HA GLY 37 -16.069 9.199 9.188 271 2HA GLY 37 2HA GLY 37 -15.601 8.284 10.624 272 H HIS 38 H HIS 38 -13.877 8.399 7.535 273 HA HIS 38 HA HIS 38 -11.391 9.064 8.937 274 1HB HIS 38 1HB HIS 38 -11.512 7.453 7.008 275 2HB HIS 38 2HB HIS 38 -11.891 8.817 5.956 276 HD1 HIS 38 HD1 HIS 38 -9.746 9.046 4.642 277 HD2 HIS 38 HD2 HIS 38 -9.061 8.834 8.747 278 HE1 HIS 38 HE1 HIS 38 -7.283 9.527 4.982 279 H ALA 39 H ALA 39 -13.877 10.966 8.260 280 HA ALA 39 HA ALA 39 -14.002 13.319 8.143 281 1HB ALA 39 1HB ALA 39 -11.389 12.880 8.956 282 2HB ALA 39 2HB ALA 39 -11.189 13.815 7.474 283 3HB ALA 39 3HB ALA 39 -12.157 14.460 8.799 284 HA PRO 40 HA PRO 40 -14.044 14.114 3.829 285 1HB PRO 40 1HB PRO 40 -13.582 16.820 3.701 286 2HB PRO 40 2HB PRO 40 -15.105 16.112 4.269 287 1HG PRO 40 1HG PRO 40 -12.921 17.384 5.854 288 2HG PRO 40 2HG PRO 40 -14.645 17.242 6.232 289 1HD PRO 40 1HD PRO 40 -12.574 15.645 7.315 290 2HD PRO 40 2HD PRO 40 -14.315 15.312 7.424 291 H LEU 41 H LEU 41 -11.905 12.866 3.619 292 HA LEU 41 HA LEU 41 -9.521 14.564 3.219 293 1HB LEU 41 1HB LEU 41 -10.029 11.763 3.765 294 2HB LEU 41 2HB LEU 41 -8.967 11.936 2.366 295 HG LEU 41 HG LEU 41 -7.700 11.851 4.509 296 1HD1 LEU 41 1HD1 LEU 41 -6.932 13.165 2.476 297 2HD1 LEU 41 2HD1 LEU 41 -7.569 14.609 3.264 298 3HD1 LEU 41 3HD1 LEU 41 -6.252 13.704 4.011 299 1HD2 LEU 41 1HD2 LEU 41 -9.185 14.442 5.059 300 2HD2 LEU 41 2HD2 LEU 41 -9.404 12.926 5.932 301 3HD2 LEU 41 3HD2 LEU 41 -7.872 13.792 6.041 302 H LEU 42 H LEU 42 -8.898 15.279 1.222 303 HA LEU 42 HA LEU 42 -9.817 13.833 -1.189 304 1HB LEU 42 1HB LEU 42 -11.598 15.502 -0.690 305 2HB LEU 42 2HB LEU 42 -10.387 16.782 -0.765 306 HG LEU 42 HG LEU 42 -9.834 15.831 -3.115 307 1HD1 LEU 42 1HD1 LEU 42 -12.586 14.656 -2.613 308 2HD1 LEU 42 2HD1 LEU 42 -11.811 14.751 -4.195 309 3HD1 LEU 42 3HD1 LEU 42 -11.103 13.754 -2.924 310 1HD2 LEU 42 1HD2 LEU 42 -12.334 17.350 -2.361 311 2HD2 LEU 42 2HD2 LEU 42 -10.819 17.982 -3.007 312 3HD2 LEU 42 3HD2 LEU 42 -11.911 17.070 -4.050 313 H THR 43 H THR 43 -7.352 13.541 -0.882 314 HA THR 43 HA THR 43 -6.017 15.650 -2.495 315 HB THR 43 HB THR 43 -5.161 16.323 -0.441 316 HG1 THR 43 HG1 THR 43 -3.260 15.936 -1.240 317 1HG2 THR 43 1HG2 THR 43 -5.617 13.464 0.318 318 2HG2 THR 43 2HG2 THR 43 -4.440 14.404 1.235 319 3HG2 THR 43 3HG2 THR 43 -6.119 14.937 1.148 320 H ALA 44 H ALA 44 -4.235 13.081 -0.924 321 HA ALA 44 HA ALA 44 -4.500 11.259 -3.208 322 1HB ALA 44 1HB ALA 44 -2.025 12.913 -2.729 323 2HB ALA 44 2HB ALA 44 -1.926 11.337 -3.514 324 3HB ALA 44 3HB ALA 44 -2.881 12.629 -4.244 325 H ILE 45 H ILE 45 -3.028 9.312 -2.859 326 HA ILE 45 HA ILE 45 -2.782 8.810 0.077 327 HB ILE 45 HB ILE 45 -2.867 6.635 -1.999 328 1HG1 ILE 45 1HG1 ILE 45 -5.228 8.146 -0.833 329 2HG1 ILE 45 2HG1 ILE 45 -4.780 8.050 -2.537 330 1HG2 ILE 45 1HG2 ILE 45 -3.257 6.957 0.935 331 2HG2 ILE 45 2HG2 ILE 45 -4.281 5.771 0.126 332 3HG2 ILE 45 3HG2 ILE 45 -2.527 5.626 0.037 333 1HD1 ILE 45 1HD1 ILE 45 -5.364 5.563 -0.930 334 2HD1 ILE 45 2HD1 ILE 45 -6.657 6.473 -1.712 335 3HD1 ILE 45 3HD1 ILE 45 -5.367 5.763 -2.682 336 H LYS 46 H LYS 46 -0.980 7.197 0.609 337 HA LYS 46 HA LYS 46 1.441 7.985 -0.932 338 1HB LYS 46 1HB LYS 46 1.334 6.573 1.744 339 2HB LYS 46 2HB LYS 46 2.705 7.423 1.029 340 1HG LYS 46 1HG LYS 46 0.091 8.685 1.907 341 2HG LYS 46 2HG LYS 46 1.642 8.831 2.734 342 1HD LYS 46 1HD LYS 46 2.603 10.047 0.905 343 2HD LYS 46 2HD LYS 46 1.230 9.681 -0.141 344 1HE LYS 46 1HE LYS 46 -0.245 10.977 1.397 345 2HE LYS 46 2HE LYS 46 1.175 11.408 2.352 346 1HZ LYS 46 1HZ LYS 46 0.844 12.006 -0.537 347 2HZ LYS 46 2HZ LYS 46 0.552 13.114 0.712 348 3HZ LYS 46 3HZ LYS 46 2.121 12.511 0.464 349 HA PRO 47 HA PRO 47 2.012 3.915 -2.482 350 1HB PRO 47 1HB PRO 47 4.753 3.880 -2.668 351 2HB PRO 47 2HB PRO 47 3.712 4.796 -3.770 352 1HG PRO 47 1HG PRO 47 5.431 5.797 -1.553 353 2HG PRO 47 2HG PRO 47 4.885 6.635 -3.015 354 1HD PRO 47 1HD PRO 47 3.801 6.943 -0.412 355 2HD PRO 47 2HD PRO 47 3.083 7.535 -1.926 356 H GLY 48 H GLY 48 3.056 1.785 -1.953 357 1HA GLY 48 1HA GLY 48 4.623 0.725 -0.196 358 2HA GLY 48 2HA GLY 48 3.629 1.592 0.974 359 H MET 49 H MET 49 2.802 -0.267 1.991 360 HA MET 49 HA MET 49 1.243 -2.145 0.272 361 1HB MET 49 1HB MET 49 1.275 -3.657 2.197 362 2HB MET 49 2HB MET 49 2.919 -3.130 1.837 363 1HG MET 49 1HG MET 49 2.844 -1.485 3.617 364 2HG MET 49 2HG MET 49 1.138 -1.825 3.913 365 1HE MET 49 1HE MET 49 0.469 -4.545 4.025 366 2HE MET 49 2HE MET 49 0.940 -5.128 5.628 367 3HE MET 49 3HE MET 49 0.250 -3.517 5.438 368 H ILE 50 H ILE 50 -0.754 -3.021 1.810 369 HA ILE 50 HA ILE 50 -2.034 -0.829 3.272 370 HB ILE 50 HB ILE 50 -2.608 -0.088 1.070 371 1HG1 ILE 50 1HG1 ILE 50 -4.822 -1.694 2.375 372 2HG1 ILE 50 2HG1 ILE 50 -4.539 0.044 2.469 373 1HG2 ILE 50 1HG2 ILE 50 -2.151 -2.679 0.318 374 2HG2 ILE 50 2HG2 ILE 50 -3.907 -2.586 0.187 375 3HG2 ILE 50 3HG2 ILE 50 -2.894 -1.461 -0.717 376 1HD1 ILE 50 1HD1 ILE 50 -5.264 -1.456 -0.062 377 2HD1 ILE 50 2HD1 ILE 50 -6.398 -0.524 0.917 378 3HD1 ILE 50 3HD1 ILE 50 -5.066 0.290 0.095 379 H ARG 51 H ARG 51 -2.951 -1.886 4.960 380 HA ARG 51 HA ARG 51 -3.854 -4.695 4.556 381 1HB ARG 51 1HB ARG 51 -2.267 -3.857 6.484 382 2HB ARG 51 2HB ARG 51 -3.776 -3.331 7.232 383 1HG ARG 51 1HG ARG 51 -4.660 -5.552 7.236 384 2HG ARG 51 2HG ARG 51 -3.377 -6.137 6.176 385 1HD ARG 51 1HD ARG 51 -2.259 -6.734 8.044 386 2HD ARG 51 2HD ARG 51 -2.012 -5.013 8.337 387 HE ARG 51 HE ARG 51 -3.576 -6.659 9.989 388 1HH1 ARG 51 1HH1 ARG 51 -3.104 -3.456 9.259 389 2HH1 ARG 51 2HH1 ARG 51 -4.655 -2.903 9.799 390 1HH2 ARG 51 1HH2 ARG 51 -5.944 -6.095 10.216 391 2HH2 ARG 51 2HH2 ARG 51 -6.261 -4.397 10.343 392 H ILE 52 H ILE 52 -6.014 -5.168 4.567 393 HA ILE 52 HA ILE 52 -7.893 -3.104 5.632 394 HB ILE 52 HB ILE 52 -8.308 -4.691 3.108 395 1HG1 ILE 52 1HG1 ILE 52 -7.761 -1.742 3.268 396 2HG1 ILE 52 2HG1 ILE 52 -6.461 -2.915 3.062 397 1HG2 ILE 52 1HG2 ILE 52 -10.372 -4.051 4.274 398 2HG2 ILE 52 2HG2 ILE 52 -9.834 -2.369 4.290 399 3HG2 ILE 52 3HG2 ILE 52 -10.194 -3.165 2.757 400 1HD1 ILE 52 1HD1 ILE 52 -8.115 -3.833 1.176 401 2HD1 ILE 52 2HD1 ILE 52 -8.640 -2.148 1.178 402 3HD1 ILE 52 3HD1 ILE 52 -6.954 -2.546 0.844 403 H VAL 53 H VAL 53 -10.055 -4.027 6.099 404 HA VAL 53 HA VAL 53 -9.990 -6.964 6.585 405 HB VAL 53 HB VAL 53 -10.629 -4.772 8.567 406 1HG1 VAL 53 1HG1 VAL 53 -11.477 -7.662 8.509 407 2HG1 VAL 53 2HG1 VAL 53 -11.238 -6.822 10.042 408 3HG1 VAL 53 3HG1 VAL 53 -12.442 -6.236 8.892 409 1HG2 VAL 53 1HG2 VAL 53 -8.767 -7.166 8.540 410 2HG2 VAL 53 2HG2 VAL 53 -8.306 -5.463 8.521 411 3HG2 VAL 53 3HG2 VAL 53 -9.051 -6.158 9.959 412 H LYS 54 H LYS 54 -12.085 -7.914 6.727 413 HA LYS 54 HA LYS 54 -14.449 -8.000 6.507 414 1HB LYS 54 1HB LYS 54 -14.384 -5.458 7.052 415 2HB LYS 54 2HB LYS 54 -14.489 -5.241 5.306 416 1HG LYS 54 1HG LYS 54 -16.377 -7.226 6.389 417 2HG LYS 54 2HG LYS 54 -16.655 -5.580 6.957 418 1HD LYS 54 1HD LYS 54 -16.745 -4.758 4.662 419 2HD LYS 54 2HD LYS 54 -16.347 -6.362 4.045 420 1HE LYS 54 1HE LYS 54 -18.710 -6.101 5.859 421 2HE LYS 54 2HE LYS 54 -18.874 -5.542 4.193 422 1HZ LYS 54 1HZ LYS 54 -17.554 -8.010 4.175 423 2HZ LYS 54 2HZ LYS 54 -18.934 -8.168 5.152 424 3HZ LYS 54 3HZ LYS 54 -19.083 -7.632 3.547 425 H GLN 55 H GLN 55 -13.616 -5.804 3.806 426 HA GLN 55 HA GLN 55 -13.794 -6.199 1.498 427 1HB GLN 55 1HB GLN 55 -11.712 -7.433 1.994 428 2HB GLN 55 2HB GLN 55 -12.653 -8.877 2.358 429 1HG GLN 55 1HG GLN 55 -13.100 -9.304 0.152 430 2HG GLN 55 2HG GLN 55 -13.197 -7.593 -0.266 431 1HE2 GLN 55 2HE2 GLN 55 -11.754 -8.677 -2.132 432 2HE2 GLN 55 1HE2 GLN 55 -10.079 -8.596 -1.871 433 H HIS 56 H HIS 56 -14.238 -9.630 1.865 434 HA HIS 56 HA HIS 56 -17.135 -9.557 2.028 435 1HB HIS 56 1HB HIS 56 -16.288 -8.867 -0.432 436 2HB HIS 56 2HB HIS 56 -16.231 -10.621 -0.604 437 HD1 HIS 56 HD1 HIS 56 -18.596 -7.760 -0.223 438 HD2 HIS 56 HD2 HIS 56 -18.787 -11.924 -0.334 439 HE1 HIS 56 HE1 HIS 56 -21.041 -8.359 -0.507 440 H GLY 57 H GLY 57 -15.384 -10.959 3.566 441 1HA GLY 57 1HA GLY 57 -16.186 -13.490 3.858 442 2HA GLY 57 2HA GLY 57 -15.142 -13.689 2.448 443 H HIS 58 H HIS 58 -13.093 -11.905 3.068 444 HA HIS 58 HA HIS 58 -12.105 -12.582 5.765 445 1HB HIS 58 1HB HIS 58 -10.698 -13.476 3.228 446 2HB HIS 58 2HB HIS 58 -9.983 -13.525 4.839 447 HD1 HIS 58 HD1 HIS 58 -10.389 -15.616 6.146 448 HD2 HIS 58 HD2 HIS 58 -13.209 -15.124 3.115 449 HE1 HIS 58 HE1 HIS 58 -11.828 -17.700 6.159 450 H GLU 59 H GLU 59 -9.611 -11.685 5.727 451 HA GLU 59 HA GLU 59 -9.853 -8.919 4.625 452 1HB GLU 59 1HB GLU 59 -7.857 -9.755 6.718 453 2HB GLU 59 2HB GLU 59 -8.556 -8.162 6.432 454 1HG GLU 59 1HG GLU 59 -9.874 -8.730 8.212 455 2HG GLU 59 2HG GLU 59 -10.811 -9.562 6.971 456 H GLU 60 H GLU 60 -7.754 -7.944 3.843 457 HA GLU 60 HA GLU 60 -5.571 -9.776 3.211 458 1HB GLU 60 1HB GLU 60 -5.805 -9.630 0.757 459 2HB GLU 60 2HB GLU 60 -7.196 -10.438 1.481 460 1HG GLU 60 1HG GLU 60 -8.324 -8.950 0.139 461 2HG GLU 60 2HG GLU 60 -8.116 -7.920 1.556 462 H PHE 61 H PHE 61 -3.950 -8.603 1.717 463 HA PHE 61 HA PHE 61 -4.035 -5.674 2.318 464 1HB PHE 61 1HB PHE 61 -1.396 -6.095 2.111 465 2HB PHE 61 2HB PHE 61 -2.251 -6.305 3.641 466 HD1 PHE 61 HD1 PHE 61 -0.775 -8.039 0.736 467 HD2 PHE 61 HD2 PHE 61 -2.657 -8.510 4.566 468 HE1 PHE 61 HE1 PHE 61 -0.130 -10.437 0.757 469 HE2 PHE 61 HE2 PHE 61 -2.011 -10.905 4.591 470 HZ PHE 61 HZ PHE 61 -0.749 -11.870 2.687 471 H ILE 62 H ILE 62 -2.313 -4.536 0.806 472 HA ILE 62 HA ILE 62 -2.115 -5.766 -1.861 473 HB ILE 62 HB ILE 62 -3.340 -3.044 -1.853 474 1HG1 ILE 62 1HG1 ILE 62 -4.875 -5.603 -1.289 475 2HG1 ILE 62 2HG1 ILE 62 -4.763 -4.193 -0.235 476 1HG2 ILE 62 1HG2 ILE 62 -2.677 -5.002 -3.737 477 2HG2 ILE 62 2HG2 ILE 62 -4.434 -5.083 -3.618 478 3HG2 ILE 62 3HG2 ILE 62 -3.647 -3.558 -4.026 479 1HD1 ILE 62 1HD1 ILE 62 -5.617 -3.279 -2.795 480 2HD1 ILE 62 2HD1 ILE 62 -6.616 -4.668 -2.368 481 3HD1 ILE 62 3HD1 ILE 62 -6.528 -3.279 -1.284 482 H TYR 63 H TYR 63 -1.501 -3.325 -3.216 483 HA TYR 63 HA TYR 63 0.392 -1.734 -1.743 484 1HB TYR 63 1HB TYR 63 1.803 -3.662 -1.672 485 2HB TYR 63 2HB TYR 63 1.447 -4.072 -3.349 486 HD1 TYR 63 HD1 TYR 63 2.164 -2.396 -5.165 487 HD2 TYR 63 HD2 TYR 63 3.649 -2.290 -1.142 488 HE1 TYR 63 HE1 TYR 63 4.093 -1.039 -5.922 489 HE2 TYR 63 HE2 TYR 63 5.586 -0.934 -1.893 490 HH TYR 63 HH TYR 63 6.165 -0.293 -5.315 491 H LEU 64 H LEU 64 0.582 0.134 -2.896 492 HA LEU 64 HA LEU 64 0.757 0.096 -5.815 493 1HB LEU 64 1HB LEU 64 -1.243 1.741 -5.964 494 2HB LEU 64 2HB LEU 64 -1.595 0.021 -5.830 495 HG LEU 64 HG LEU 64 -2.961 1.547 -4.319 496 1HD1 LEU 64 1HD1 LEU 64 -2.066 -0.999 -3.942 497 2HD1 LEU 64 2HD1 LEU 64 -1.488 -0.222 -2.467 498 3HD1 LEU 64 3HD1 LEU 64 -3.205 -0.186 -2.868 499 1HD2 LEU 64 1HD2 LEU 64 -1.056 3.049 -3.718 500 2HD2 LEU 64 2HD2 LEU 64 -1.883 2.398 -2.302 501 3HD2 LEU 64 3HD2 LEU 64 -0.336 1.722 -2.808 502 H SER 65 H SER 65 0.289 2.732 -6.389 503 HA SER 65 HA SER 65 2.494 4.023 -4.925 504 1HB SER 65 1HB SER 65 2.793 4.671 -7.090 505 2HB SER 65 2HB SER 65 1.098 4.420 -7.501 506 HG SER 65 HG SER 65 1.493 6.608 -7.549 507 H GLY 66 H GLY 66 -0.825 5.029 -5.847 508 1HA GLY 66 1HA GLY 66 -1.941 5.676 -3.453 509 2HA GLY 66 2HA GLY 66 -0.826 7.022 -3.686 510 H GLY 67 H GLY 67 -0.993 7.933 -6.076 511 1HA GLY 67 1HA GLY 67 -2.324 8.978 -7.707 512 2HA GLY 67 2HA GLY 67 -3.546 7.743 -7.404 513 H ILE 68 H ILE 68 -5.236 9.341 -7.450 514 HA ILE 68 HA ILE 68 -5.177 11.330 -5.229 515 HB ILE 68 HB ILE 68 -7.045 11.093 -7.610 516 1HG1 ILE 68 1HG1 ILE 68 -4.970 13.226 -7.068 517 2HG1 ILE 68 2HG1 ILE 68 -4.594 11.771 -7.993 518 1HG2 ILE 68 1HG2 ILE 68 -6.947 12.869 -5.206 519 2HG2 ILE 68 2HG2 ILE 68 -7.414 13.589 -6.747 520 3HG2 ILE 68 3HG2 ILE 68 -8.344 12.245 -6.083 521 1HD1 ILE 68 1HD1 ILE 68 -6.983 13.467 -8.698 522 2HD1 ILE 68 2HD1 ILE 68 -5.377 13.877 -9.298 523 3HD1 ILE 68 3HD1 ILE 68 -6.103 12.326 -9.714 524 H LEU 69 H LEU 69 -6.650 11.174 -3.540 525 HA LEU 69 HA LEU 69 -8.562 8.877 -3.680 526 1HB LEU 69 1HB LEU 69 -6.941 8.278 -2.059 527 2HB LEU 69 2HB LEU 69 -6.866 9.912 -1.404 528 HG LEU 69 HG LEU 69 -9.466 8.408 -1.325 529 1HD1 LEU 69 1HD1 LEU 69 -7.045 7.989 0.423 530 2HD1 LEU 69 2HD1 LEU 69 -8.671 7.754 1.062 531 3HD1 LEU 69 3HD1 LEU 69 -8.110 6.779 -0.294 532 1HD2 LEU 69 1HD2 LEU 69 -8.589 10.931 -0.525 533 2HD2 LEU 69 2HD2 LEU 69 -10.079 10.140 -0.005 534 3HD2 LEU 69 3HD2 LEU 69 -8.619 10.001 0.975 535 H GLU 70 H GLU 70 -10.602 9.196 -2.635 536 HA GLU 70 HA GLU 70 -11.255 11.912 -1.665 537 1HB GLU 70 1HB GLU 70 -13.070 10.775 -3.763 538 2HB GLU 70 2HB GLU 70 -12.797 12.459 -3.315 539 1HG GLU 70 1HG GLU 70 -10.411 12.125 -4.241 540 2HG GLU 70 2HG GLU 70 -11.047 10.662 -4.994 541 H VAL 71 H VAL 71 -12.892 11.830 -0.128 542 HA VAL 71 HA VAL 71 -13.974 9.118 0.455 543 HB VAL 71 HB VAL 71 -12.755 10.481 2.234 544 1HG1 VAL 71 1HG1 VAL 71 -14.225 12.560 1.373 545 2HG1 VAL 71 2HG1 VAL 71 -15.291 11.989 2.657 546 3HG1 VAL 71 3HG1 VAL 71 -13.632 12.454 3.030 547 1HG2 VAL 71 1HG2 VAL 71 -15.022 8.817 2.378 548 2HG2 VAL 71 2HG2 VAL 71 -13.903 9.190 3.689 549 3HG2 VAL 71 3HG2 VAL 71 -15.361 10.158 3.472 550 H GLN 72 H GLN 72 -16.179 8.729 0.477 551 HA GLN 72 HA GLN 72 -17.956 11.028 -0.240 552 1HB GLN 72 1HB GLN 72 -18.716 8.278 -1.116 553 2HB GLN 72 2HB GLN 72 -18.977 9.825 -1.919 554 1HG GLN 72 1HG GLN 72 -16.712 9.920 -2.686 555 2HG GLN 72 2HG GLN 72 -16.241 8.562 -1.664 556 1HE2 GLN 72 2HE2 GLN 72 -15.570 7.255 -3.513 557 2HE2 GLN 72 1HE2 GLN 72 -16.707 6.591 -4.585 558 HA PRO 73 HA PRO 73 -20.575 9.706 3.016 559 1HB PRO 73 1HB PRO 73 -23.093 9.856 1.918 560 2HB PRO 73 2HB PRO 73 -22.124 11.273 2.360 561 1HG PRO 73 1HG PRO 73 -22.719 10.178 -0.344 562 2HG PRO 73 2HG PRO 73 -22.295 11.832 0.128 563 1HD PRO 73 1HD PRO 73 -20.556 9.926 -1.050 564 2HD PRO 73 2HD PRO 73 -20.077 11.474 -0.322 565 H GLY 74 H GLY 74 -19.726 7.426 2.908 566 1HA GLY 74 1HA GLY 74 -20.653 5.228 3.400 567 2HA GLY 74 2HA GLY 74 -21.939 5.546 2.236 568 H ASN 75 H ASN 75 -18.637 6.348 1.428 569 HA ASN 75 HA ASN 75 -17.708 3.952 0.308 570 1HB ASN 75 1HB ASN 75 -18.332 4.361 -2.134 571 2HB ASN 75 2HB ASN 75 -19.636 3.782 -1.097 572 1HD2 ASN 75 2HD2 ASN 75 -19.529 5.670 -3.596 573 2HD2 ASN 75 1HD2 ASN 75 -20.471 6.996 -3.112 574 H VAL 76 H VAL 76 -15.671 4.305 -0.524 575 HA VAL 76 HA VAL 76 -14.958 7.126 -1.221 576 HB VAL 76 HB VAL 76 -12.767 6.768 -0.161 577 1HG1 VAL 76 1HG1 VAL 76 -15.176 7.174 1.132 578 2HG1 VAL 76 2HG1 VAL 76 -14.458 5.857 2.061 579 3HG1 VAL 76 3HG1 VAL 76 -13.584 7.377 1.864 580 1HG2 VAL 76 1HG2 VAL 76 -13.095 4.161 -0.566 581 2HG2 VAL 76 2HG2 VAL 76 -12.091 4.748 0.760 582 3HG2 VAL 76 3HG2 VAL 76 -13.744 4.220 1.073 583 H THR 77 H THR 77 -12.756 7.084 -2.496 584 HA THR 77 HA THR 77 -12.203 4.630 -3.972 585 HB THR 77 HB THR 77 -13.605 6.933 -5.357 586 HG1 THR 77 HG1 THR 77 -15.099 5.294 -5.839 587 1HG2 THR 77 1HG2 THR 77 -11.724 6.065 -6.701 588 2HG2 THR 77 2HG2 THR 77 -12.355 4.428 -6.519 589 3HG2 THR 77 3HG2 THR 77 -13.277 5.633 -7.420 590 H VAL 78 H VAL 78 -10.388 4.896 -5.445 591 HA VAL 78 HA VAL 78 -9.032 7.471 -5.638 592 HB VAL 78 HB VAL 78 -8.289 6.971 -3.410 593 1HG1 VAL 78 1HG1 VAL 78 -8.979 4.525 -3.587 594 2HG1 VAL 78 2HG1 VAL 78 -7.431 4.233 -4.381 595 3HG1 VAL 78 3HG1 VAL 78 -7.472 4.823 -2.719 596 1HG2 VAL 78 1HG2 VAL 78 -6.528 7.036 -5.631 597 2HG2 VAL 78 2HG2 VAL 78 -6.163 7.480 -3.963 598 3HG2 VAL 78 3HG2 VAL 78 -5.881 5.830 -4.518 599 H LEU 79 H LEU 79 -7.729 7.436 -7.456 600 HA LEU 79 HA LEU 79 -7.242 4.747 -8.675 601 1HB LEU 79 1HB LEU 79 -7.656 7.429 -10.030 602 2HB LEU 79 2HB LEU 79 -7.281 5.920 -10.864 603 HG LEU 79 HG LEU 79 -9.532 5.659 -9.010 604 1HD1 LEU 79 1HD1 LEU 79 -9.600 8.098 -10.031 605 2HD1 LEU 79 2HD1 LEU 79 -10.146 7.249 -11.477 606 3HD1 LEU 79 3HD1 LEU 79 -11.065 7.116 -9.978 607 1HD2 LEU 79 1HD2 LEU 79 -8.535 4.524 -11.408 608 2HD2 LEU 79 2HD2 LEU 79 -9.959 4.020 -10.499 609 3HD2 LEU 79 3HD2 LEU 79 -10.116 5.201 -11.799 610 H ALA 80 H ALA 80 -5.130 4.194 -8.778 611 HA ALA 80 HA ALA 80 -3.106 6.397 -8.754 612 1HB ALA 80 1HB ALA 80 -3.191 4.802 -6.754 613 2HB ALA 80 2HB ALA 80 -2.635 3.545 -7.860 614 3HB ALA 80 3HB ALA 80 -1.626 4.958 -7.551 615 H ASP 81 H ASP 81 -0.876 4.965 -9.524 616 HA ASP 81 HA ASP 81 -1.656 3.929 -12.222 617 1HB ASP 81 1HB ASP 81 0.851 5.481 -11.505 618 2HB ASP 81 2HB ASP 81 0.386 4.928 -13.115 619 H THR 82 H THR 82 -0.089 3.285 -9.281 620 HA THR 82 HA THR 82 1.457 1.048 -10.526 621 HB THR 82 HB THR 82 1.852 2.599 -7.959 622 HG1 THR 82 HG1 THR 82 3.479 3.381 -9.023 623 1HG2 THR 82 1HG2 THR 82 3.071 -0.040 -8.807 624 2HG2 THR 82 2HG2 THR 82 3.749 0.987 -7.544 625 3HG2 THR 82 3HG2 THR 82 2.143 0.286 -7.342 626 H ALA 83 H ALA 83 1.194 -1.053 -9.628 627 HA ALA 83 HA ALA 83 -0.628 -1.450 -7.369 628 1HB ALA 83 1HB ALA 83 -2.147 -1.100 -9.352 629 2HB ALA 83 2HB ALA 83 -1.423 -2.531 -10.087 630 3HB ALA 83 3HB ALA 83 -2.326 -2.676 -8.579 631 H ILE 84 H ILE 84 1.636 -2.337 -6.900 632 HA ILE 84 HA ILE 84 2.095 -5.000 -8.123 633 HB ILE 84 HB ILE 84 3.866 -3.636 -6.095 634 1HG1 ILE 84 1HG1 ILE 84 4.145 -3.327 -9.090 635 2HG1 ILE 84 2HG1 ILE 84 3.260 -2.152 -8.117 636 1HG2 ILE 84 1HG2 ILE 84 4.124 -5.797 -8.167 637 2HG2 ILE 84 2HG2 ILE 84 5.550 -4.905 -7.638 638 3HG2 ILE 84 3HG2 ILE 84 4.602 -5.824 -6.470 639 1HD1 ILE 84 1HD1 ILE 84 5.406 -2.166 -6.617 640 2HD1 ILE 84 2HD1 ILE 84 6.188 -2.832 -8.052 641 3HD1 ILE 84 3HD1 ILE 84 5.417 -1.247 -8.122 642 H ARG 85 H ARG 85 -0.118 -5.218 -6.668 643 HA ARG 85 HA ARG 85 -0.094 -5.505 -3.904 644 1HB ARG 85 1HB ARG 85 -1.795 -7.274 -4.192 645 2HB ARG 85 2HB ARG 85 -2.089 -5.928 -5.295 646 1HG ARG 85 1HG ARG 85 -1.115 -7.133 -7.143 647 2HG ARG 85 2HG ARG 85 -0.548 -8.417 -6.076 648 1HD ARG 85 1HD ARG 85 -2.601 -9.404 -5.955 649 2HD ARG 85 2HD ARG 85 -3.452 -7.860 -5.941 650 HE ARG 85 HE ARG 85 -2.798 -7.846 -8.486 651 1HH1 ARG 85 1HH2 ARG 85 -5.363 -9.208 -7.909 652 2HH1 ARG 85 2HH2 ARG 85 -5.134 -10.772 -8.619 653 1HH2 ARG 85 1HH1 ARG 85 -1.686 -10.471 -8.820 654 2HH2 ARG 85 2HH1 ARG 85 -3.054 -11.487 -9.133 655 H GLY 86 H GLY 86 0.351 -7.331 -2.490 656 1HA GLY 86 1HA GLY 86 2.862 -8.582 -2.937 657 2HA GLY 86 2HA GLY 86 1.693 -9.100 -1.721 658 H GLN 87 H GLN 87 3.391 -10.742 -3.547 659 HA GLN 87 HA GLN 87 3.107 -12.790 -4.667 660 1HB GLN 87 1HB GLN 87 0.126 -12.410 -4.364 661 2HB GLN 87 2HB GLN 87 1.027 -13.923 -4.484 662 1HG GLN 87 1HG GLN 87 1.998 -13.607 -2.304 663 2HG GLN 87 2HG GLN 87 1.366 -11.964 -2.202 664 1HE2 GLN 87 2HE2 GLN 87 -0.303 -11.986 -0.681 665 2HE2 GLN 87 1HE2 GLN 87 -1.530 -13.157 -0.604 666 H ASP 88 H ASP 88 2.324 -9.855 -5.773 667 HA ASP 88 HA ASP 88 0.788 -10.441 -8.147 668 1HB ASP 88 1HB ASP 88 0.834 -8.166 -7.381 669 2HB ASP 88 2HB ASP 88 2.598 -8.134 -7.395 670 H LEU 89 H LEU 89 4.246 -10.389 -7.402 671 HA LEU 89 HA LEU 89 4.908 -12.148 -9.547 672 1HB LEU 89 1HB LEU 89 4.372 -9.673 -10.553 673 2HB LEU 89 2HB LEU 89 6.101 -9.530 -10.235 674 HG LEU 89 HG LEU 89 5.361 -12.088 -11.467 675 1HD1 LEU 89 1HD1 LEU 89 4.053 -9.792 -12.468 676 2HD1 LEU 89 2HD1 LEU 89 5.379 -10.121 -13.582 677 3HD1 LEU 89 3HD1 LEU 89 4.181 -11.370 -13.244 678 1HD2 LEU 89 1HD2 LEU 89 7.677 -11.146 -11.150 679 2HD2 LEU 89 2HD2 LEU 89 7.317 -11.595 -12.817 680 3HD2 LEU 89 3HD2 LEU 89 7.277 -9.900 -12.333 681 H ASP 90 H ASP 90 7.163 -12.681 -9.525 682 HA ASP 90 HA ASP 90 9.234 -12.971 -8.463 683 1HB ASP 90 1HB ASP 90 9.510 -10.629 -9.317 684 2HB ASP 90 2HB ASP 90 8.902 -10.038 -7.771 685 H GLU 91 H GLU 91 8.880 -14.299 -6.712 686 HA GLU 91 HA GLU 91 7.896 -13.014 -4.198 687 1HB GLU 91 1HB GLU 91 7.966 -15.957 -4.941 688 2HB GLU 91 2HB GLU 91 7.265 -15.271 -3.475 689 1HG GLU 91 1HG GLU 91 5.747 -13.893 -4.970 690 2HG GLU 91 2HG GLU 91 6.329 -14.859 -6.325 691 H ALA 92 H ALA 92 10.176 -15.552 -5.302 692 HA ALA 92 HA ALA 92 11.745 -15.223 -2.829 693 1HB ALA 92 1HB ALA 92 11.334 -17.319 -4.673 694 2HB ALA 92 2HB ALA 92 13.027 -16.854 -4.847 695 3HB ALA 92 3HB ALA 92 12.402 -17.333 -3.269 696 H ARG 93 H ARG 93 11.750 -14.060 -6.087 697 HA ARG 93 HA ARG 93 14.597 -13.306 -6.022 698 1HB ARG 93 1HB ARG 93 12.435 -13.370 -8.024 699 2HB ARG 93 2HB ARG 93 13.500 -11.971 -8.163 700 1HG ARG 93 1HG ARG 93 15.006 -13.292 -9.187 701 2HG ARG 93 2HG ARG 93 15.190 -14.176 -7.673 702 1HD ARG 93 1HD ARG 93 12.901 -15.299 -8.553 703 2HD ARG 93 2HD ARG 93 13.634 -14.889 -10.104 704 HE ARG 93 HE ARG 93 14.852 -16.707 -8.073 705 1HH1 ARG 93 1HH1 ARG 93 15.562 -14.875 -10.816 706 2HH1 ARG 93 2HH1 ARG 93 16.272 -16.178 -11.709 707 1HH2 ARG 93 1HH2 ARG 93 15.378 -18.602 -9.398 708 2HH2 ARG 93 2HH2 ARG 93 16.170 -18.288 -10.905 709 H ALA 94 H ALA 94 11.700 -12.050 -4.830 710 HA ALA 94 HA ALA 94 12.509 -9.221 -5.112 711 1HB ALA 94 1HB ALA 94 10.058 -10.326 -5.089 712 2HB ALA 94 2HB ALA 94 10.233 -10.026 -3.361 713 3HB ALA 94 3HB ALA 94 10.351 -8.688 -4.504 714 H MET 95 H MET 95 13.018 -11.816 -2.987 715 HA MET 95 HA MET 95 13.247 -10.206 -0.549 716 1HB MET 95 1HB MET 95 13.297 -13.031 -1.273 717 2HB MET 95 2HB MET 95 14.577 -12.625 -0.132 718 1HG MET 95 1HG MET 95 12.888 -11.511 1.322 719 2HG MET 95 2HG MET 95 11.624 -12.024 0.203 720 1HE MET 95 1HE MET 95 11.989 -12.435 3.268 721 2HE MET 95 2HE MET 95 12.400 -14.066 3.816 722 3HE MET 95 3HE MET 95 13.672 -12.954 3.319 723 H GLU 96 H GLU 96 15.331 -11.265 -3.147 724 HA GLU 96 HA GLU 96 17.815 -10.768 -1.705 725 1HB GLU 96 1HB GLU 96 18.895 -11.103 -3.863 726 2HB GLU 96 2HB GLU 96 17.651 -12.335 -3.646 727 1HG GLU 96 1HG GLU 96 16.072 -10.844 -4.940 728 2HG GLU 96 2HG GLU 96 17.452 -9.808 -5.304 729 H ALA 97 H ALA 97 15.477 -8.793 -3.222 730 HA ALA 97 HA ALA 97 17.229 -6.671 -4.114 731 1HB ALA 97 1HB ALA 97 14.553 -7.226 -4.420 732 2HB ALA 97 2HB ALA 97 14.519 -5.886 -3.274 733 3HB ALA 97 3HB ALA 97 15.311 -5.690 -4.837 734 H LYS 98 H LYS 98 15.243 -7.123 -1.175 735 HA LYS 98 HA LYS 98 15.904 -4.699 0.111 736 1HB LYS 98 1HB LYS 98 14.228 -6.467 0.874 737 2HB LYS 98 2HB LYS 98 15.602 -7.345 1.545 738 1HG LYS 98 1HG LYS 98 15.705 -4.546 2.300 739 2HG LYS 98 2HG LYS 98 14.172 -5.271 2.786 740 1HD LYS 98 1HD LYS 98 16.309 -7.122 3.327 741 2HD LYS 98 2HD LYS 98 16.691 -5.561 4.052 742 1HE LYS 98 1HE LYS 98 15.358 -7.038 5.568 743 2HE LYS 98 2HE LYS 98 14.548 -5.515 5.201 744 1HZ LYS 98 1HZ LYS 98 14.046 -7.822 3.465 745 2HZ LYS 98 2HZ LYS 98 13.296 -7.782 4.989 746 3HZ LYS 98 3HZ LYS 98 13.019 -6.532 3.877 747 H ARG 99 H ARG 99 17.862 -7.502 -0.481 748 HA ARG 99 HA ARG 99 19.822 -6.863 1.600 749 1HB ARG 99 1HB ARG 99 19.437 -9.197 0.805 750 2HB ARG 99 2HB ARG 99 20.077 -8.734 -0.773 751 1HG ARG 99 1HG ARG 99 22.202 -8.919 -0.045 752 2HG ARG 99 2HG ARG 99 21.866 -7.896 1.353 753 1HD ARG 99 1HD ARG 99 20.564 -10.364 1.839 754 2HD ARG 99 2HD ARG 99 22.179 -10.759 1.253 755 HE ARG 99 HE ARG 99 21.686 -8.950 3.586 756 1HH1 ARG 99 1HH2 ARG 99 22.516 -12.036 3.359 757 2HH1 ARG 99 2HH2 ARG 99 24.156 -11.896 3.899 758 1HH2 ARG 99 1HH1 ARG 99 24.231 -8.441 3.632 759 2HH2 ARG 99 2HH1 ARG 99 25.127 -9.862 4.053 760 H LYS 100 H LYS 100 19.540 -6.444 -1.919 761 HA LYS 100 HA LYS 100 22.159 -5.080 -1.994 762 1HB LYS 100 1HB LYS 100 21.937 -5.097 -4.367 763 2HB LYS 100 2HB LYS 100 21.296 -6.649 -3.828 764 1HG LYS 100 1HG LYS 100 18.997 -5.476 -3.780 765 2HG LYS 100 2HG LYS 100 19.768 -4.210 -4.737 766 1HD LYS 100 1HD LYS 100 19.528 -7.144 -5.460 767 2HD LYS 100 2HD LYS 100 18.742 -5.786 -6.266 768 1HE LYS 100 1HE LYS 100 20.860 -4.923 -7.038 769 2HE LYS 100 2HE LYS 100 21.748 -6.096 -6.064 770 1HZ LYS 100 1HZ LYS 100 20.394 -7.806 -7.411 771 2HZ LYS 100 2HZ LYS 100 20.175 -6.533 -8.513 772 3HZ LYS 100 3HZ LYS 100 21.740 -7.067 -8.137 773 H ALA 101 H ALA 101 19.123 -4.189 -1.083 774 HA ALA 101 HA ALA 101 19.128 -1.545 -2.407 775 1HB ALA 101 1HB ALA 101 17.222 -3.052 -0.643 776 2HB ALA 101 2HB ALA 101 17.078 -1.299 -0.763 777 3HB ALA 101 3HB ALA 101 16.929 -2.296 -2.209 778 H GLU 102 H GLU 102 19.806 -3.007 0.719 779 HA GLU 102 HA GLU 102 19.917 -0.601 2.263 780 1HB GLU 102 1HB GLU 102 19.878 -2.879 3.250 781 2HB GLU 102 2HB GLU 102 21.502 -3.163 2.624 782 1HG GLU 102 1HG GLU 102 22.366 -2.179 4.451 783 2HG GLU 102 2HG GLU 102 21.550 -0.677 4.015 784 H GLU 103 H GLU 103 22.142 -2.048 -0.011 785 HA GLU 103 HA GLU 103 24.511 -0.651 0.845 786 1HB GLU 103 1HB GLU 103 24.721 -2.570 -0.618 787 2HB GLU 103 2HB GLU 103 23.715 -1.799 -1.845 788 1HG GLU 103 1HG GLU 103 25.762 0.051 -1.284 789 2HG GLU 103 2HG GLU 103 26.560 -1.519 -1.392 790 H HIS 104 H HIS 104 21.890 0.144 -1.407 791 HA HIS 104 HA HIS 104 23.121 2.546 -2.427 792 1HB HIS 104 1HB HIS 104 21.015 1.138 -3.254 793 2HB HIS 104 2HB HIS 104 20.143 2.296 -2.249 794 HD1 HIS 104 HD1 HIS 104 19.139 3.406 -4.422 795 HD2 HIS 104 HD2 HIS 104 23.291 3.636 -4.127 796 HE1 HIS 104 HE1 HIS 104 19.884 5.112 -6.138 797 H ILE 105 H ILE 105 21.634 1.770 0.565 798 HA ILE 105 HA ILE 105 20.892 4.557 1.169 799 HB ILE 105 HB ILE 105 20.940 2.269 3.135 800 1HG1 ILE 105 1HG1 ILE 105 19.801 1.464 1.100 801 2HG1 ILE 105 2HG1 ILE 105 18.635 1.732 2.398 802 1HG2 ILE 105 1HG2 ILE 105 19.850 4.989 2.971 803 2HG2 ILE 105 2HG2 ILE 105 18.661 3.790 3.479 804 3HG2 ILE 105 3HG2 ILE 105 20.160 3.987 4.388 805 1HD1 ILE 105 1HD1 ILE 105 18.136 3.978 1.446 806 2HD1 ILE 105 2HD1 ILE 105 19.237 3.632 0.112 807 3HD1 ILE 105 3HD1 ILE 105 17.769 2.676 0.316 808 H SER 106 H SER 106 23.770 3.495 0.742 809 HA SER 106 HA SER 106 25.276 3.436 3.081 810 1HB SER 106 1HB SER 106 25.926 3.526 0.469 811 2HB SER 106 2HB SER 106 26.327 5.183 0.911 812 HG SER 106 HG SER 106 28.109 4.261 1.579 813 H SER 107 H SER 107 24.405 4.780 4.707 814 HA SER 107 HA SER 107 23.578 7.405 4.620 815 1HB SER 107 1HB SER 107 25.446 6.487 6.802 816 2HB SER 107 2HB SER 107 24.048 7.552 6.930 817 HG SER 107 HG SER 107 22.937 5.512 6.052 818 H SER 108 H SER 108 24.528 9.376 4.363 819 HA SER 108 HA SER 108 27.378 9.824 4.681 820 1HB SER 108 1HB SER 108 27.889 10.313 2.333 821 2HB SER 108 2HB SER 108 27.362 8.641 2.499 822 HG SER 108 HG SER 108 25.167 9.775 2.096 823 H HIS 109 H HIS 109 27.923 12.113 4.271 824 HA HIS 109 HA HIS 109 26.049 13.953 5.238 825 1HB HIS 109 1HB HIS 109 28.678 14.063 4.104 826 2HB HIS 109 2HB HIS 109 27.705 15.342 3.376 827 HD1 HIS 109 HD1 HIS 109 28.954 14.114 6.719 828 HD2 HIS 109 HD2 HIS 109 26.971 17.421 5.139 829 HE1 HIS 109 HE1 HIS 109 28.892 15.856 8.556 830 H GLY 110 H GLY 110 25.061 15.822 3.976 831 1HA GLY 110 1HA GLY 110 24.371 16.512 1.630 832 2HA GLY 110 2HA GLY 110 23.990 14.810 1.371 833 H ASP 111 H ASP 111 22.335 17.431 1.530 834 HA ASP 111 HA ASP 111 20.563 17.071 3.794 835 1HB ASP 111 1HB ASP 111 20.765 19.250 2.688 836 2HB ASP 111 2HB ASP 111 20.169 18.560 1.179 837 H VAL 112 H VAL 112 19.678 16.846 0.341 838 HA VAL 112 HA VAL 112 17.933 14.527 1.066 839 HB VAL 112 HB VAL 112 16.617 15.152 -0.951 840 1HG1 VAL 112 1HG1 VAL 112 16.282 16.145 1.421 841 2HG1 VAL 112 2HG1 VAL 112 16.985 17.617 0.749 842 3HG1 VAL 112 3HG1 VAL 112 15.495 16.961 0.071 843 1HG2 VAL 112 1HG2 VAL 112 18.888 16.425 -1.758 844 2HG2 VAL 112 2HG2 VAL 112 17.288 16.781 -2.412 845 3HG2 VAL 112 3HG2 VAL 112 17.961 17.790 -1.132 846 H ASP 113 H ASP 113 20.885 14.912 -0.013 847 HA ASP 113 HA ASP 113 21.156 13.851 -2.583 848 1HB ASP 113 1HB ASP 113 23.087 14.567 -1.317 849 2HB ASP 113 2HB ASP 113 22.801 13.325 -0.096 850 H TYR 114 H TYR 114 22.241 11.489 -0.268 851 HA TYR 114 HA TYR 114 20.870 9.373 -1.671 852 1HB TYR 114 1HB TYR 114 21.990 7.905 -0.231 853 2HB TYR 114 2HB TYR 114 23.060 9.304 -0.212 854 HD1 TYR 114 HD1 TYR 114 20.500 7.424 1.675 855 HD2 TYR 114 HD2 TYR 114 23.264 10.712 1.762 856 HE1 TYR 114 HE1 TYR 114 20.206 7.607 4.130 857 HE2 TYR 114 HE2 TYR 114 22.968 10.894 4.219 858 HH TYR 114 HH TYR 114 21.264 8.479 6.047 859 H ALA 115 H ALA 115 19.954 11.568 0.764 860 HA ALA 115 HA ALA 115 18.039 10.011 2.212 861 1HB ALA 115 1HB ALA 115 18.753 12.846 1.894 862 2HB ALA 115 2HB ALA 115 17.036 12.582 2.218 863 3HB ALA 115 3HB ALA 115 18.252 11.969 3.341 864 H GLN 116 H GLN 116 18.055 11.209 -1.002 865 HA GLN 116 HA GLN 116 15.112 11.238 -1.232 866 1HB GLN 116 1HB GLN 116 17.281 12.393 -2.680 867 2HB GLN 116 2HB GLN 116 16.427 11.313 -3.782 868 1HG GLN 116 1HG GLN 116 14.331 12.420 -3.371 869 2HG GLN 116 2HG GLN 116 15.022 13.358 -2.046 870 1HE2 GLN 116 2HE2 GLN 116 15.135 15.492 -2.791 871 2HE2 GLN 116 1HE2 GLN 116 15.775 15.958 -4.292 872 H ALA 117 H ALA 117 17.825 9.130 -1.906 873 HA ALA 117 HA ALA 117 16.244 7.310 -3.577 874 1HB ALA 117 1HB ALA 117 18.788 7.698 -3.719 875 2HB ALA 117 2HB ALA 117 18.900 6.687 -2.278 876 3HB ALA 117 3HB ALA 117 18.233 6.025 -3.770 877 H SER 118 H SER 118 16.690 7.837 -0.232 878 HA SER 118 HA SER 118 16.371 5.108 0.676 879 1HB SER 118 1HB SER 118 16.337 7.813 1.902 880 2HB SER 118 2HB SER 118 15.450 6.561 2.765 881 HG SER 118 HG SER 118 17.319 5.329 2.822 882 H ALA 119 H ALA 119 14.186 7.566 -0.454 883 HA ALA 119 HA ALA 119 11.827 6.234 0.705 884 1HB ALA 119 1HB ALA 119 12.039 8.756 0.401 885 2HB ALA 119 2HB ALA 119 11.863 8.473 -1.331 886 3HB ALA 119 3HB ALA 119 10.556 8.038 -0.228 887 H GLU 120 H GLU 120 13.634 6.247 -2.268 888 HA GLU 120 HA GLU 120 11.453 4.997 -3.802 889 1HB GLU 120 1HB GLU 120 14.353 5.233 -4.628 890 2HB GLU 120 2HB GLU 120 12.935 5.086 -5.669 891 1HG GLU 120 1HG GLU 120 13.196 7.416 -3.780 892 2HG GLU 120 2HG GLU 120 14.004 7.445 -5.347 893 H LEU 121 H LEU 121 13.824 3.978 -1.615 894 HA LEU 121 HA LEU 121 14.230 1.332 -2.838 895 1HB LEU 121 1HB LEU 121 15.343 2.850 -0.556 896 2HB LEU 121 2HB LEU 121 15.212 1.110 -0.298 897 HG LEU 121 HG LEU 121 17.397 1.815 -1.321 898 1HD1 LEU 121 1HD1 LEU 121 15.842 -0.375 -1.854 899 2HD1 LEU 121 2HD1 LEU 121 16.138 0.243 -3.479 900 3HD1 LEU 121 3HD1 LEU 121 17.496 -0.169 -2.431 901 1HD2 LEU 121 1HD2 LEU 121 15.827 3.471 -2.853 902 2HD2 LEU 121 2HD2 LEU 121 17.492 3.038 -3.239 903 3HD2 LEU 121 3HD2 LEU 121 16.157 2.151 -3.976 904 H ALA 122 H ALA 122 13.026 2.373 0.375 905 HA ALA 122 HA ALA 122 11.801 -0.063 1.074 906 1HB ALA 122 1HB ALA 122 12.129 2.060 2.499 907 2HB ALA 122 2HB ALA 122 10.611 2.616 1.792 908 3HB ALA 122 3HB ALA 122 10.646 1.141 2.758 909 H LYS 123 H LYS 123 10.834 2.240 -1.306 910 HA LYS 123 HA LYS 123 8.035 1.907 -1.365 911 1HB LYS 123 1HB LYS 123 9.257 3.491 -2.821 912 2HB LYS 123 2HB LYS 123 9.911 2.134 -3.738 913 1HG LYS 123 1HG LYS 123 7.759 1.512 -4.550 914 2HG LYS 123 2HG LYS 123 6.939 2.548 -3.382 915 1HD LYS 123 1HD LYS 123 6.986 4.247 -4.853 916 2HD LYS 123 2HD LYS 123 8.749 4.177 -4.875 917 1HE LYS 123 1HE LYS 123 6.902 2.478 -6.579 918 2HE LYS 123 2HE LYS 123 7.821 3.874 -7.144 919 1HZ LYS 123 1HZ LYS 123 9.535 2.101 -5.783 920 2HZ LYS 123 2HZ LYS 123 8.676 1.239 -6.969 921 3HZ LYS 123 3HZ LYS 123 9.595 2.601 -7.402 922 H ALA 124 H ALA 124 10.578 -0.161 -2.752 923 HA ALA 124 HA ALA 124 8.567 -2.058 -3.768 924 1HB ALA 124 1HB ALA 124 11.423 -1.566 -4.153 925 2HB ALA 124 2HB ALA 124 11.055 -3.281 -3.964 926 3HB ALA 124 3HB ALA 124 10.265 -2.344 -5.233 927 H ILE 125 H ILE 125 10.920 -1.835 -1.130 928 HA ILE 125 HA ILE 125 10.662 -4.541 -0.220 929 HB ILE 125 HB ILE 125 11.476 -1.969 1.146 930 1HG1 ILE 125 1HG1 ILE 125 13.541 -3.824 1.214 931 2HG1 ILE 125 2HG1 ILE 125 12.776 -4.133 -0.344 932 1HG2 ILE 125 1HG2 ILE 125 11.068 -4.723 2.286 933 2HG2 ILE 125 2HG2 ILE 125 12.356 -3.697 2.916 934 3HG2 ILE 125 3HG2 ILE 125 10.680 -3.156 2.999 935 1HD1 ILE 125 1HD1 ILE 125 12.808 -1.417 -0.352 936 2HD1 ILE 125 2HD1 ILE 125 14.262 -1.746 0.588 937 3HD1 ILE 125 3HD1 ILE 125 14.095 -2.406 -1.039 938 H ALA 126 H ALA 126 8.427 -1.996 -0.241 939 HA ALA 126 HA ALA 126 7.034 -2.556 2.224 940 1HB ALA 126 1HB ALA 126 6.703 -0.818 -0.070 941 2HB ALA 126 2HB ALA 126 5.166 -1.570 0.358 942 3HB ALA 126 3HB ALA 126 6.056 -0.636 1.560 943 H GLN 127 H GLN 127 6.811 -3.813 -1.074 944 HA GLN 127 HA GLN 127 4.431 -5.405 -0.466 945 1HB GLN 127 1HB GLN 127 4.637 -6.235 -2.722 946 2HB GLN 127 2HB GLN 127 4.990 -4.507 -2.764 947 1HG GLN 127 1HG GLN 127 6.949 -5.018 -3.753 948 2HG GLN 127 2HG GLN 127 7.455 -5.731 -2.221 949 1HE2 GLN 127 2HE2 GLN 127 8.690 -7.288 -3.699 950 2HE2 GLN 127 1HE2 GLN 127 7.852 -8.625 -4.326 951 H LEU 128 H LEU 128 7.481 -5.693 0.621 952 HA LEU 128 HA LEU 128 7.844 -8.572 0.124 953 1HB LEU 128 1HB LEU 128 9.687 -6.711 0.445 954 2HB LEU 128 2HB LEU 128 9.427 -7.034 2.159 955 HG LEU 128 HG LEU 128 10.114 -9.120 0.067 956 1HD1 LEU 128 1HD1 LEU 128 11.968 -7.537 0.679 957 2HD1 LEU 128 2HD1 LEU 128 11.781 -8.043 2.359 958 3HD1 LEU 128 3HD1 LEU 128 12.290 -9.209 1.137 959 1HD2 LEU 128 1HD2 LEU 128 9.349 -9.216 2.960 960 2HD2 LEU 128 2HD2 LEU 128 8.957 -10.344 1.661 961 3HD2 LEU 128 3HD2 LEU 128 10.566 -10.355 2.384 962 H ARG 129 H ARG 129 6.824 -6.437 2.758 963 HA ARG 129 HA ARG 129 6.659 -8.579 4.719 964 1HB ARG 129 1HB ARG 129 6.300 -5.719 4.671 965 2HB ARG 129 2HB ARG 129 4.906 -6.471 5.447 966 1HG ARG 129 1HG ARG 129 6.141 -6.740 7.308 967 2HG ARG 129 2HG ARG 129 7.185 -7.844 6.411 968 1HD ARG 129 1HD ARG 129 8.852 -6.328 6.333 969 2HD ARG 129 2HD ARG 129 7.762 -5.074 5.744 970 HE ARG 129 HE ARG 129 7.993 -4.209 7.922 971 1HH1 ARG 129 1HH2 ARG 129 9.770 -6.454 8.889 972 2HH1 ARG 129 2HH2 ARG 129 8.836 -7.100 10.196 973 1HH2 ARG 129 1HH1 ARG 129 5.894 -5.553 9.207 974 2HH2 ARG 129 2HH1 ARG 129 6.640 -6.591 10.376 975 H VAL 130 H VAL 130 4.439 -7.060 2.431 976 HA VAL 130 HA VAL 130 2.072 -8.381 3.453 977 HB VAL 130 HB VAL 130 1.041 -7.661 1.314 978 1HG1 VAL 130 1HG1 VAL 130 2.258 -6.002 3.304 979 2HG1 VAL 130 2HG1 VAL 130 2.368 -5.177 1.749 980 3HG1 VAL 130 3HG1 VAL 130 0.797 -5.690 2.366 981 1HG2 VAL 130 1HG2 VAL 130 3.919 -7.014 0.654 982 2HG2 VAL 130 2HG2 VAL 130 2.772 -7.970 -0.284 983 3HG2 VAL 130 3HG2 VAL 130 2.577 -6.221 -0.171 984 H ILE 131 H ILE 131 4.469 -9.137 0.956 985 HA ILE 131 HA ILE 131 3.059 -11.405 -0.123 986 HB ILE 131 HB ILE 131 4.859 -10.357 -1.389 987 1HG1 ILE 131 1HG1 ILE 131 5.524 -13.162 -0.443 988 2HG1 ILE 131 2HG1 ILE 131 4.519 -12.726 -1.825 989 1HG2 ILE 131 1HG2 ILE 131 6.594 -11.240 0.936 990 2HG2 ILE 131 2HG2 ILE 131 7.217 -10.605 -0.587 991 3HG2 ILE 131 3HG2 ILE 131 6.239 -9.578 0.462 992 1HD1 ILE 131 1HD1 ILE 131 6.973 -11.362 -2.172 993 2HD1 ILE 131 2HD1 ILE 131 7.385 -13.013 -1.703 994 3HD1 ILE 131 3HD1 ILE 131 6.363 -12.725 -3.112 995 H GLU 132 H GLU 132 5.241 -10.967 2.604 996 HA GLU 132 HA GLU 132 5.664 -13.812 3.037 997 1HB GLU 132 1HB GLU 132 6.072 -11.398 4.827 998 2HB GLU 132 2HB GLU 132 6.542 -13.040 5.267 999 1HG GLU 132 1HG GLU 132 7.465 -11.965 2.632 1000 2HG GLU 132 2HG GLU 132 8.272 -11.397 4.093 1001 H LEU 133 H LEU 133 3.106 -11.625 3.714 1002 HA LEU 133 HA LEU 133 2.071 -12.926 6.079 1003 1HB LEU 133 1HB LEU 133 1.255 -10.780 4.268 1004 2HB LEU 133 2HB LEU 133 -0.107 -11.765 4.801 1005 HG LEU 133 HG LEU 133 1.773 -11.151 6.964 1006 1HD1 LEU 133 1HD1 LEU 133 1.385 -9.062 5.181 1007 2HD1 LEU 133 2HD1 LEU 133 0.147 -8.782 6.405 1008 3HD1 LEU 133 3HD1 LEU 133 1.843 -8.891 6.875 1009 1HD2 LEU 133 1HD2 LEU 133 -1.113 -11.413 6.439 1010 2HD2 LEU 133 2HD2 LEU 133 -0.193 -11.825 7.886 1011 3HD2 LEU 133 3HD2 LEU 133 -0.716 -10.162 7.617 1012 H THR 134 H THR 134 1.397 -13.240 2.597 1013 HA THR 134 HA THR 134 -0.668 -15.245 2.988 1014 HB THR 134 HB THR 134 -0.529 -13.805 0.957 1015 HG1 THR 134 HG1 THR 134 -0.132 -16.349 -0.057 1016 1HG2 THR 134 1HG2 THR 134 2.159 -14.872 0.949 1017 2HG2 THR 134 2HG2 THR 134 1.359 -15.211 -0.586 1018 3HG2 THR 134 3HG2 THR 134 1.486 -13.551 -0.006 1019 H LYS 135 H LYS 135 2.747 -15.308 3.097 1020 HA LYS 135 HA LYS 135 3.299 -17.904 2.063 1021 1HB LYS 135 1HB LYS 135 4.645 -15.961 3.817 1022 2HB LYS 135 2HB LYS 135 5.060 -17.639 4.170 1023 1HG LYS 135 1HG LYS 135 5.645 -18.013 1.817 1024 2HG LYS 135 2HG LYS 135 5.185 -16.356 1.425 1025 1HD LYS 135 1HD LYS 135 7.125 -15.505 2.234 1026 2HD LYS 135 2HD LYS 135 7.096 -16.555 3.651 1027 1HE LYS 135 1HE LYS 135 7.869 -18.447 2.243 1028 2HE LYS 135 2HE LYS 135 7.951 -17.361 0.855 1029 1HZ LYS 135 1HZ LYS 135 9.317 -16.384 3.195 1030 2HZ LYS 135 2HZ LYS 135 9.972 -17.825 2.576 1031 3HZ LYS 135 3HZ LYS 135 9.843 -16.457 1.581 1032 H LYS 136 H LYS 136 2.085 -16.833 5.204 1033 HA LYS 136 HA LYS 136 2.036 -19.641 6.167 1034 1HB LYS 136 1HB LYS 136 1.394 -18.672 8.326 1035 2HB LYS 136 2HB LYS 136 2.826 -17.849 7.706 1036 1HG LYS 136 1HG LYS 136 1.350 -16.062 6.777 1037 2HG LYS 136 2HG LYS 136 -0.035 -16.862 7.523 1038 1HD LYS 136 1HD LYS 136 2.387 -16.051 9.135 1039 2HD LYS 136 2HD LYS 136 1.046 -14.941 8.851 1040 1HE LYS 136 1HE LYS 136 -0.376 -16.094 10.221 1041 2HE LYS 136 2HE LYS 136 0.296 -17.661 9.768 1042 1HZ LYS 136 1HZ LYS 136 2.341 -16.885 11.061 1043 2HZ LYS 136 2HZ LYS 136 1.313 -15.716 11.743 1044 3HZ LYS 136 3HZ LYS 136 0.979 -17.368 11.951 1045 H ALA 137 H ALA 137 0.088 -17.603 4.389 1046 HA ALA 137 HA ALA 137 -2.496 -17.960 5.501 1047 1HB ALA 137 1HB ALA 137 -1.372 -17.015 3.025 1048 2HB ALA 137 2HB ALA 137 -2.736 -18.078 2.672 1049 3HB ALA 137 3HB ALA 137 -2.960 -16.672 3.714 1050 H MET 138 H MET 138 -0.952 -19.890 2.894 1051 HA MET 138 HA MET 138 -2.296 -22.295 3.988 1052 1HB MET 138 1HB MET 138 -2.966 -22.888 1.572 1053 2HB MET 138 2HB MET 138 -3.939 -21.664 2.390 1054 1HG MET 138 1HG MET 138 -2.506 -19.900 1.325 1055 2HG MET 138 2HG MET 138 -1.702 -21.173 0.406 1056 1HE MET 138 1HE MET 138 -4.446 -19.207 1.349 1057 2HE MET 138 2HE MET 138 -5.016 -18.694 -0.245 1058 3HE MET 138 3HE MET 138 -5.918 -19.897 0.674 Start of MODEL 29 1 1H ALA 1 1H ALA 1 -19.269 -4.480 11.982 2 2H ALA 1 2H ALA 1 -19.850 -5.896 12.719 3 3H ALA 1 3H ALA 1 -19.734 -5.802 11.027 4 HA ALA 1 HA ALA 1 -21.972 -5.455 11.346 5 1HB ALA 1 1HB ALA 1 -21.320 -5.108 13.943 6 2HB ALA 1 2HB ALA 1 -21.659 -3.434 13.505 7 3HB ALA 1 3HB ALA 1 -22.899 -4.669 13.293 8 H MET 2 H MET 2 -19.573 -3.831 10.214 9 HA MET 2 HA MET 2 -21.262 -1.656 9.163 10 1HB MET 2 1HB MET 2 -18.851 -1.213 10.908 11 2HB MET 2 2HB MET 2 -19.246 -0.051 9.639 12 1HG MET 2 1HG MET 2 -21.689 -0.316 10.730 13 2HG MET 2 2HG MET 2 -20.715 -0.687 12.152 14 1HE MET 2 1HE MET 2 -19.889 0.613 13.559 15 2HE MET 2 2HE MET 2 -18.435 1.234 12.781 16 3HE MET 2 3HE MET 2 -19.583 2.347 13.539 17 H THR 3 H THR 3 -20.622 -1.066 7.085 18 HA THR 3 HA THR 3 -17.962 -1.705 6.071 19 HB THR 3 HB THR 3 -18.637 -3.905 5.728 20 HG1 THR 3 HG1 THR 3 -18.678 -4.004 3.619 21 1HG2 THR 3 1HG2 THR 3 -21.392 -2.736 5.371 22 2HG2 THR 3 2HG2 THR 3 -21.028 -4.400 4.911 23 3HG2 THR 3 3HG2 THR 3 -20.838 -3.886 6.588 24 H TYR 4 H TYR 4 -18.067 -1.377 3.535 25 HA TYR 4 HA TYR 4 -20.151 0.383 2.543 26 1HB TYR 4 1HB TYR 4 -18.757 2.405 2.362 27 2HB TYR 4 2HB TYR 4 -18.924 1.934 4.051 28 HD1 TYR 4 HD1 TYR 4 -17.071 0.095 4.811 29 HD2 TYR 4 HD2 TYR 4 -16.608 2.977 1.660 30 HE1 TYR 4 HE1 TYR 4 -14.616 -0.075 5.026 31 HE2 TYR 4 HE2 TYR 4 -14.141 2.808 1.865 32 HH TYR 4 HH TYR 4 -12.516 0.784 2.806 33 H HIS 5 H HIS 5 -18.182 1.740 0.754 34 HA HIS 5 HA HIS 5 -17.139 -0.616 -0.735 35 1HB HIS 5 1HB HIS 5 -19.044 -0.206 -2.028 36 2HB HIS 5 2HB HIS 5 -18.997 1.530 -1.720 37 HD1 HIS 5 HD1 HIS 5 -18.053 -0.940 -4.227 38 HD2 HIS 5 HD2 HIS 5 -16.617 2.776 -3.027 39 HE1 HIS 5 HE1 HIS 5 -16.525 -0.125 -6.078 40 H LEU 6 H LEU 6 -15.241 -0.198 -1.922 41 HA LEU 6 HA LEU 6 -14.174 2.548 -1.761 42 1HB LEU 6 1HB LEU 6 -12.198 2.012 -0.656 43 2HB LEU 6 2HB LEU 6 -13.367 0.992 0.182 44 HG LEU 6 HG LEU 6 -12.778 -0.744 -1.663 45 1HD1 LEU 6 1HD1 LEU 6 -10.756 1.386 -2.018 46 2HD1 LEU 6 2HD1 LEU 6 -10.102 -0.249 -1.937 47 3HD1 LEU 6 3HD1 LEU 6 -11.305 0.159 -3.159 48 1HD2 LEU 6 1HD2 LEU 6 -11.565 -0.046 0.889 49 2HD2 LEU 6 2HD2 LEU 6 -12.024 -1.633 0.274 50 3HD2 LEU 6 3HD2 LEU 6 -10.451 -0.949 -0.138 51 H ASP 7 H ASP 7 -12.073 2.683 -3.151 52 HA ASP 7 HA ASP 7 -11.861 0.637 -5.244 53 1HB ASP 7 1HB ASP 7 -13.633 2.834 -5.606 54 2HB ASP 7 2HB ASP 7 -12.232 3.115 -6.642 55 H VAL 8 H VAL 8 -9.641 0.482 -5.013 56 HA VAL 8 HA VAL 8 -8.084 3.022 -5.277 57 HB VAL 8 HB VAL 8 -7.658 1.992 -3.126 58 1HG1 VAL 8 1HG1 VAL 8 -7.936 -0.437 -4.693 59 2HG1 VAL 8 2HG1 VAL 8 -6.455 -0.472 -3.736 60 3HG1 VAL 8 3HG1 VAL 8 -8.012 -0.228 -2.943 61 1HG2 VAL 8 1HG2 VAL 8 -5.713 2.523 -5.033 62 2HG2 VAL 8 2HG2 VAL 8 -5.420 2.288 -3.309 63 3HG2 VAL 8 3HG2 VAL 8 -5.257 0.933 -4.425 64 H VAL 9 H VAL 9 -7.641 3.092 -7.471 65 HA VAL 9 HA VAL 9 -6.528 0.604 -8.704 66 HB VAL 9 HB VAL 9 -7.628 3.021 -10.159 67 1HG1 VAL 9 1HG1 VAL 9 -6.438 0.426 -10.900 68 2HG1 VAL 9 2HG1 VAL 9 -7.940 0.803 -11.745 69 3HG1 VAL 9 3HG1 VAL 9 -6.572 1.912 -11.841 70 1HG2 VAL 9 1HG2 VAL 9 -9.119 1.326 -8.570 71 2HG2 VAL 9 2HG2 VAL 9 -9.746 2.225 -9.951 72 3HG2 VAL 9 3HG2 VAL 9 -9.226 0.552 -10.150 73 H SER 10 H SER 10 -4.670 0.890 -10.136 74 HA SER 10 HA SER 10 -3.105 3.364 -9.511 75 1HB SER 10 1HB SER 10 -2.270 1.246 -8.404 76 2HB SER 10 2HB SER 10 -1.961 0.604 -10.015 77 HG SER 10 HG SER 10 -0.760 2.703 -10.275 78 H ALA 11 H ALA 11 -4.077 4.184 -11.561 79 HA ALA 11 HA ALA 11 -3.767 4.746 -13.822 80 1HB ALA 11 1HB ALA 11 -1.286 3.454 -13.026 81 2HB ALA 11 2HB ALA 11 -1.670 3.116 -14.713 82 3HB ALA 11 3HB ALA 11 -1.537 4.784 -14.157 83 H GLU 12 H GLU 12 -2.464 1.485 -14.200 84 HA GLU 12 HA GLU 12 -5.065 0.661 -15.417 85 1HB GLU 12 1HB GLU 12 -3.444 -0.711 -16.993 86 2HB GLU 12 2HB GLU 12 -3.819 0.972 -17.356 87 1HG GLU 12 1HG GLU 12 -1.762 1.671 -16.147 88 2HG GLU 12 2HG GLU 12 -1.374 -0.028 -15.868 89 H GLN 13 H GLN 13 -3.887 0.114 -12.755 90 HA GLN 13 HA GLN 13 -3.793 -2.864 -12.988 91 1HB GLN 13 1HB GLN 13 -1.835 -1.024 -11.759 92 2HB GLN 13 2HB GLN 13 -2.305 -2.384 -10.740 93 1HG GLN 13 1HG GLN 13 -1.958 -3.491 -13.293 94 2HG GLN 13 2HG GLN 13 -0.612 -2.366 -13.102 95 1HE2 GLN 13 2HE2 GLN 13 1.140 -3.127 -11.896 96 2HE2 GLN 13 1HE2 GLN 13 1.089 -4.464 -10.851 97 H GLN 14 H GLN 14 -6.180 -2.259 -12.539 98 HA GLN 14 HA GLN 14 -7.099 -1.162 -10.125 99 1HB GLN 14 1HB GLN 14 -9.093 -2.675 -10.436 100 2HB GLN 14 2HB GLN 14 -8.662 -1.749 -11.874 101 1HG GLN 14 1HG GLN 14 -7.135 -4.129 -11.978 102 2HG GLN 14 2HG GLN 14 -8.775 -4.611 -11.545 103 1HE2 GLN 14 2HE2 GLN 14 -10.540 -3.417 -12.965 104 2HE2 GLN 14 1HE2 GLN 14 -10.185 -3.280 -14.619 105 H MET 15 H MET 15 -7.470 -2.007 -8.054 106 HA MET 15 HA MET 15 -6.323 -4.717 -7.519 107 1HB MET 15 1HB MET 15 -5.770 -2.086 -6.197 108 2HB MET 15 2HB MET 15 -5.762 -3.544 -5.203 109 1HG MET 15 1HG MET 15 -4.070 -4.565 -6.586 110 2HG MET 15 2HG MET 15 -4.187 -3.267 -7.774 111 1HE MET 15 1HE MET 15 -1.558 -4.036 -7.021 112 2HE MET 15 2HE MET 15 -0.725 -3.281 -5.665 113 3HE MET 15 3HE MET 15 -1.844 -4.610 -5.373 114 H PHE 16 H PHE 16 -7.855 -2.309 -5.384 115 HA PHE 16 HA PHE 16 -9.883 -4.387 -4.698 116 1HB PHE 16 1HB PHE 16 -8.452 -3.331 -2.874 117 2HB PHE 16 2HB PHE 16 -9.314 -1.825 -3.187 118 HD1 PHE 16 HD1 PHE 16 -11.779 -1.695 -2.828 119 HD2 PHE 16 HD2 PHE 16 -9.515 -5.162 -1.714 120 HE1 PHE 16 HE1 PHE 16 -13.667 -2.467 -1.461 121 HE2 PHE 16 HE2 PHE 16 -11.410 -5.949 -0.331 122 HZ PHE 16 HZ PHE 16 -13.493 -4.604 -0.205 123 H SER 17 H SER 17 -11.908 -4.112 -5.496 124 HA SER 17 HA SER 17 -13.009 -1.392 -5.791 125 1HB SER 17 1HB SER 17 -13.379 -1.461 -8.109 126 2HB SER 17 2HB SER 17 -11.758 -2.136 -7.959 127 HG SER 17 HG SER 17 -13.685 -3.265 -9.164 128 H GLY 18 H GLY 18 -14.746 -1.810 -4.464 129 1HA GLY 18 1HA GLY 18 -17.112 -2.891 -5.216 130 2HA GLY 18 2HA GLY 18 -16.234 -4.340 -4.720 131 H LEU 19 H LEU 19 -17.774 -4.603 -2.947 132 HA LEU 19 HA LEU 19 -18.235 -2.600 -0.970 133 1HB LEU 19 1HB LEU 19 -18.225 -5.607 -0.579 134 2HB LEU 19 2HB LEU 19 -19.046 -4.418 0.435 135 HG LEU 19 HG LEU 19 -19.707 -5.275 -2.378 136 1HD1 LEU 19 1HD1 LEU 19 -20.788 -5.686 0.212 137 2HD1 LEU 19 2HD1 LEU 19 -21.917 -4.639 -0.649 138 3HD1 LEU 19 3HD1 LEU 19 -21.468 -6.201 -1.332 139 1HD2 LEU 19 1HD2 LEU 19 -19.503 -2.776 -2.372 140 2HD2 LEU 19 2HD2 LEU 19 -21.166 -3.317 -2.614 141 3HD2 LEU 19 3HD2 LEU 19 -20.655 -2.716 -1.037 142 H VAL 20 H VAL 20 -17.428 -3.175 1.468 143 HA VAL 20 HA VAL 20 -14.836 -4.269 1.831 144 HB VAL 20 HB VAL 20 -13.733 -2.755 0.512 145 1HG1 VAL 20 1HG1 VAL 20 -16.192 -1.173 0.882 146 2HG1 VAL 20 2HG1 VAL 20 -14.728 -0.244 0.559 147 3HG1 VAL 20 3HG1 VAL 20 -15.256 -1.483 -0.579 148 1HG2 VAL 20 1HG2 VAL 20 -14.151 -1.182 3.052 149 2HG2 VAL 20 2HG2 VAL 20 -12.783 -2.228 2.643 150 3HG2 VAL 20 3HG2 VAL 20 -13.023 -0.709 1.776 151 H GLU 21 H GLU 21 -15.074 -4.702 3.970 152 HA GLU 21 HA GLU 21 -16.650 -2.974 5.704 153 1HB GLU 21 1HB GLU 21 -16.587 -5.406 6.071 154 2HB GLU 21 2HB GLU 21 -14.851 -5.322 6.375 155 1HG GLU 21 1HG GLU 21 -15.746 -3.437 8.120 156 2HG GLU 21 2HG GLU 21 -17.113 -4.551 8.125 157 H LYS 22 H LYS 22 -13.168 -3.697 5.308 158 HA LYS 22 HA LYS 22 -12.505 -1.021 6.233 159 1HB LYS 22 1HB LYS 22 -12.725 -3.105 8.194 160 2HB LYS 22 2HB LYS 22 -11.032 -2.624 8.055 161 1HG LYS 22 1HG LYS 22 -11.684 -0.257 8.323 162 2HG LYS 22 2HG LYS 22 -13.372 -0.745 8.481 163 1HD LYS 22 1HD LYS 22 -13.051 -1.678 10.582 164 2HD LYS 22 2HD LYS 22 -11.344 -2.008 10.288 165 1HE LYS 22 1HE LYS 22 -10.734 -0.021 11.162 166 2HE LYS 22 2HE LYS 22 -11.891 0.842 10.150 167 1HZ LYS 22 1HZ LYS 22 -13.044 -0.680 12.328 168 2HZ LYS 22 2HZ LYS 22 -12.087 0.641 12.804 169 3HZ LYS 22 3HZ LYS 22 -13.417 0.880 11.774 170 H ILE 23 H ILE 23 -10.543 -0.439 5.399 171 HA ILE 23 HA ILE 23 -8.920 -2.578 4.102 172 HB ILE 23 HB ILE 23 -7.847 -0.723 2.881 173 1HG1 ILE 23 1HG1 ILE 23 -9.793 1.095 4.291 174 2HG1 ILE 23 2HG1 ILE 23 -8.141 0.874 4.857 175 1HG2 ILE 23 1HG2 ILE 23 -10.862 -0.797 2.953 176 2HG2 ILE 23 2HG2 ILE 23 -9.978 0.194 1.791 177 3HG2 ILE 23 3HG2 ILE 23 -9.778 -1.558 1.787 178 1HD1 ILE 23 1HD1 ILE 23 -7.604 1.365 2.282 179 2HD1 ILE 23 2HD1 ILE 23 -9.135 2.233 2.394 180 3HD1 ILE 23 3HD1 ILE 23 -7.794 2.671 3.453 181 H GLN 24 H GLN 24 -6.549 -0.734 4.150 182 HA GLN 24 HA GLN 24 -5.838 -0.129 6.852 183 1HB GLN 24 1HB GLN 24 -5.820 -2.887 6.280 184 2HB GLN 24 2HB GLN 24 -4.129 -2.389 6.232 185 1HG GLN 24 1HG GLN 24 -5.372 -1.093 8.459 186 2HG GLN 24 2HG GLN 24 -5.769 -2.810 8.529 187 1HE2 GLN 24 1HE2 GLN 24 -3.728 -4.291 8.043 188 2HE2 GLN 24 2HE2 GLN 24 -2.281 -3.803 8.782 189 H VAL 25 H VAL 25 -4.057 1.195 6.740 190 HA VAL 25 HA VAL 25 -2.180 0.834 4.458 191 HB VAL 25 HB VAL 25 -3.216 3.569 5.220 192 1HG1 VAL 25 1HG1 VAL 25 -1.507 2.374 3.066 193 2HG1 VAL 25 2HG1 VAL 25 -2.463 3.810 2.694 194 3HG1 VAL 25 3HG1 VAL 25 -1.267 3.858 3.988 195 1HG2 VAL 25 1HG2 VAL 25 -4.236 1.681 3.074 196 2HG2 VAL 25 2HG2 VAL 25 -5.145 2.276 4.462 197 3HG2 VAL 25 3HG2 VAL 25 -4.660 3.390 3.183 198 H THR 26 H THR 26 -0.092 1.047 5.135 199 HA THR 26 HA THR 26 0.410 2.526 7.679 200 HB THR 26 HB THR 26 1.595 -0.159 6.906 201 HG1 THR 26 HG1 THR 26 -0.244 0.638 8.912 202 1HG2 THR 26 1HG2 THR 26 2.009 1.638 9.309 203 2HG2 THR 26 2HG2 THR 26 2.582 -0.026 9.202 204 3HG2 THR 26 3HG2 THR 26 3.216 1.197 8.100 205 H GLY 27 H GLY 27 1.721 4.192 7.114 206 1HA GLY 27 1HA GLY 27 3.892 3.638 5.128 207 2HA GLY 27 2HA GLY 27 3.045 5.184 5.197 208 H SER 28 H SER 28 4.198 6.736 6.223 209 HA SER 28 HA SER 28 5.967 5.892 8.485 210 1HB SER 28 1HB SER 28 7.564 7.576 7.825 211 2HB SER 28 2HB SER 28 7.185 6.626 6.391 212 HG SER 28 HG SER 28 6.973 9.213 6.678 213 H GLU 29 H GLU 29 3.265 7.676 7.595 214 HA GLU 29 HA GLU 29 3.487 9.280 10.101 215 1HB GLU 29 1HB GLU 29 3.089 10.232 7.335 216 2HB GLU 29 2HB GLU 29 1.950 10.892 8.509 217 1HG GLU 29 1HG GLU 29 4.734 10.820 9.466 218 2HG GLU 29 2HG GLU 29 4.485 11.870 8.070 219 H GLY 30 H GLY 30 0.836 9.522 7.822 220 1HA GLY 30 1HA GLY 30 -1.176 8.985 9.729 221 2HA GLY 30 2HA GLY 30 -1.402 8.824 7.986 222 H GLU 31 H GLU 31 -2.240 7.079 10.358 223 HA GLU 31 HA GLU 31 -1.263 4.532 9.156 224 1HB GLU 31 1HB GLU 31 -1.164 3.566 11.479 225 2HB GLU 31 2HB GLU 31 0.059 4.797 11.166 226 1HG GLU 31 1HG GLU 31 -1.607 6.479 12.158 227 2HG GLU 31 2HG GLU 31 -2.502 5.077 12.746 228 H LEU 32 H LEU 32 -3.585 5.197 8.247 229 HA LEU 32 HA LEU 32 -5.520 3.598 9.844 230 1HB LEU 32 1HB LEU 32 -5.788 6.463 9.096 231 2HB LEU 32 2HB LEU 32 -7.220 5.452 8.850 232 HG LEU 32 HG LEU 32 -5.648 5.682 11.440 233 1HD1 LEU 32 1HD1 LEU 32 -8.270 6.848 10.485 234 2HD1 LEU 32 2HD1 LEU 32 -7.883 6.688 12.199 235 3HD1 LEU 32 3HD1 LEU 32 -6.883 7.703 11.160 236 1HD2 LEU 32 1HD2 LEU 32 -7.411 3.667 10.446 237 2HD2 LEU 32 2HD2 LEU 32 -6.710 3.794 12.059 238 3HD2 LEU 32 3HD2 LEU 32 -8.266 4.549 11.712 239 H GLY 33 H GLY 33 -7.378 2.900 8.500 240 1HA GLY 33 1HA GLY 33 -6.529 2.563 5.664 241 2HA GLY 33 2HA GLY 33 -7.589 1.452 6.532 242 H ILE 34 H ILE 34 -9.695 1.668 6.049 243 HA ILE 34 HA ILE 34 -10.875 4.336 5.756 244 HB ILE 34 HB ILE 34 -10.761 2.372 3.452 245 1HG1 ILE 34 1HG1 ILE 34 -8.988 4.110 3.657 246 2HG1 ILE 34 2HG1 ILE 34 -10.007 4.368 2.238 247 1HG2 ILE 34 1HG2 ILE 34 -13.124 3.291 4.039 248 2HG2 ILE 34 2HG2 ILE 34 -12.486 4.845 3.514 249 3HG2 ILE 34 3HG2 ILE 34 -12.543 3.492 2.389 250 1HD1 ILE 34 1HD1 ILE 34 -11.443 5.858 3.808 251 2HD1 ILE 34 2HD1 ILE 34 -10.022 5.859 4.859 252 3HD1 ILE 34 3HD1 ILE 34 -9.908 6.509 3.221 253 H TYR 35 H TYR 35 -13.019 4.309 6.323 254 HA TYR 35 HA TYR 35 -14.325 1.666 6.727 255 1HB TYR 35 1HB TYR 35 -15.136 3.096 8.939 256 2HB TYR 35 2HB TYR 35 -13.874 1.870 8.955 257 HD1 TYR 35 HD1 TYR 35 -11.451 2.753 8.237 258 HD2 TYR 35 HD2 TYR 35 -14.637 5.242 9.704 259 HE1 TYR 35 HE1 TYR 35 -9.803 4.490 8.858 260 HE2 TYR 35 HE2 TYR 35 -12.984 6.982 10.326 261 HH TYR 35 HH TYR 35 -10.471 7.001 10.916 262 HA PRO 36 HA PRO 36 -17.958 3.725 5.398 263 1HB PRO 36 1HB PRO 36 -19.883 2.867 7.174 264 2HB PRO 36 2HB PRO 36 -19.210 1.855 5.885 265 1HG PRO 36 1HG PRO 36 -18.643 1.787 8.818 266 2HG PRO 36 2HG PRO 36 -18.585 0.471 7.632 267 1HD PRO 36 1HD PRO 36 -16.347 1.819 8.646 268 2HD PRO 36 2HD PRO 36 -16.365 0.846 7.161 269 H GLY 37 H GLY 37 -17.151 5.877 5.987 270 1HA GLY 37 1HA GLY 37 -18.470 7.848 6.933 271 2HA GLY 37 2HA GLY 37 -18.402 6.982 8.468 272 H HIS 38 H HIS 38 -15.605 6.761 6.428 273 HA HIS 38 HA HIS 38 -13.816 7.742 8.374 274 1HB HIS 38 1HB HIS 38 -12.908 6.473 6.572 275 2HB HIS 38 2HB HIS 38 -13.621 7.540 5.363 276 HD1 HIS 38 HD1 HIS 38 -10.908 7.518 8.020 277 HD2 HIS 38 HD2 HIS 38 -12.044 9.746 4.683 278 HE1 HIS 38 HE1 HIS 38 -9.039 9.173 7.592 279 H ALA 39 H ALA 39 -13.033 9.789 8.852 280 HA ALA 39 HA ALA 39 -14.548 12.082 8.535 281 1HB ALA 39 1HB ALA 39 -12.311 11.684 9.840 282 2HB ALA 39 2HB ALA 39 -11.549 12.290 8.369 283 3HB ALA 39 3HB ALA 39 -12.681 13.307 9.259 284 HA PRO 40 HA PRO 40 -14.178 13.370 4.358 285 1HB PRO 40 1HB PRO 40 -14.236 16.102 4.664 286 2HB PRO 40 2HB PRO 40 -15.660 15.064 4.847 287 1HG PRO 40 1HG PRO 40 -14.037 16.412 6.956 288 2HG PRO 40 2HG PRO 40 -15.741 15.930 6.988 289 1HD PRO 40 1HD PRO 40 -13.613 14.544 8.227 290 2HD PRO 40 2HD PRO 40 -15.247 13.905 7.947 291 H LEU 41 H LEU 41 -11.837 12.535 4.420 292 HA LEU 41 HA LEU 41 -9.813 14.699 4.572 293 1HB LEU 41 1HB LEU 41 -9.762 11.720 4.666 294 2HB LEU 41 2HB LEU 41 -8.355 12.523 3.971 295 HG LEU 41 HG LEU 41 -8.254 12.116 6.483 296 1HD1 LEU 41 1HD1 LEU 41 -7.461 14.332 4.908 297 2HD1 LEU 41 2HD1 LEU 41 -8.035 14.990 6.441 298 3HD1 LEU 41 3HD1 LEU 41 -6.748 13.785 6.426 299 1HD2 LEU 41 1HD2 LEU 41 -10.768 12.914 6.615 300 2HD2 LEU 41 2HD2 LEU 41 -9.657 13.284 7.934 301 3HD2 LEU 41 3HD2 LEU 41 -10.042 14.518 6.734 302 H LEU 42 H LEU 42 -8.698 15.417 2.768 303 HA LEU 42 HA LEU 42 -9.176 14.058 0.170 304 1HB LEU 42 1HB LEU 42 -10.232 16.686 0.979 305 2HB LEU 42 2HB LEU 42 -9.345 16.710 -0.546 306 HG LEU 42 HG LEU 42 -11.004 14.373 -0.494 307 1HD1 LEU 42 1HD1 LEU 42 -12.337 16.978 0.268 308 2HD1 LEU 42 2HD1 LEU 42 -13.213 15.667 -0.520 309 3HD1 LEU 42 3HD1 LEU 42 -12.482 15.411 1.065 310 1HD2 LEU 42 1HD2 LEU 42 -10.629 16.853 -2.119 311 2HD2 LEU 42 2HD2 LEU 42 -10.527 15.163 -2.613 312 3HD2 LEU 42 3HD2 LEU 42 -12.103 15.922 -2.384 313 H THR 43 H THR 43 -7.073 13.593 -0.338 314 HA THR 43 HA THR 43 -5.251 15.685 -1.042 315 HB THR 43 HB THR 43 -5.164 15.797 1.493 316 HG1 THR 43 HG1 THR 43 -3.368 16.619 0.785 317 1HG2 THR 43 1HG2 THR 43 -4.611 12.956 1.083 318 2HG2 THR 43 2HG2 THR 43 -3.391 13.742 2.082 319 3HG2 THR 43 3HG2 THR 43 -5.088 13.808 2.552 320 H ALA 44 H ALA 44 -2.951 13.784 -0.101 321 HA ALA 44 HA ALA 44 -3.248 11.958 -2.426 322 1HB ALA 44 1HB ALA 44 -0.939 13.154 -0.951 323 2HB ALA 44 2HB ALA 44 -0.702 11.583 -1.717 324 3HB ALA 44 3HB ALA 44 -1.187 12.972 -2.688 325 H ILE 45 H ILE 45 -1.898 9.793 -1.937 326 HA ILE 45 HA ILE 45 -3.019 8.713 0.616 327 HB ILE 45 HB ILE 45 -3.889 7.746 -1.550 328 1HG1 ILE 45 1HG1 ILE 45 -3.010 5.300 -0.758 329 2HG1 ILE 45 2HG1 ILE 45 -2.602 6.252 0.669 330 1HG2 ILE 45 1HG2 ILE 45 -1.276 7.861 -2.347 331 2HG2 ILE 45 2HG2 ILE 45 -1.417 6.163 -1.891 332 3HG2 ILE 45 3HG2 ILE 45 -2.496 6.841 -3.110 333 1HD1 ILE 45 1HD1 ILE 45 -5.331 6.249 -0.653 334 2HD1 ILE 45 2HD1 ILE 45 -4.911 5.283 0.761 335 3HD1 ILE 45 3HD1 ILE 45 -4.893 7.044 0.859 336 H LYS 46 H LYS 46 -1.482 8.341 2.130 337 HA LYS 46 HA LYS 46 1.297 8.547 1.724 338 1HB LYS 46 1HB LYS 46 -0.463 7.847 3.881 339 2HB LYS 46 2HB LYS 46 0.876 6.698 3.846 340 1HG LYS 46 1HG LYS 46 1.746 8.442 5.151 341 2HG LYS 46 2HG LYS 46 2.366 8.822 3.544 342 1HD LYS 46 1HD LYS 46 1.441 10.847 4.534 343 2HD LYS 46 2HD LYS 46 0.411 10.340 3.195 344 1HE LYS 46 1HE LYS 46 -1.356 10.064 4.566 345 2HE LYS 46 2HE LYS 46 -0.411 9.066 5.671 346 1HZ LYS 46 1HZ LYS 46 0.579 11.214 6.490 347 2HZ LYS 46 2HZ LYS 46 -0.642 12.018 5.624 348 3HZ LYS 46 3HZ LYS 46 -1.049 10.955 6.885 349 HA PRO 47 HA PRO 47 2.286 4.722 -0.222 350 1HB PRO 47 1HB PRO 47 4.997 4.793 0.235 351 2HB PRO 47 2HB PRO 47 4.184 5.781 -0.992 352 1HG PRO 47 1HG PRO 47 5.291 6.607 1.651 353 2HG PRO 47 2HG PRO 47 5.052 7.570 0.185 354 1HD PRO 47 1HD PRO 47 3.383 7.584 2.474 355 2HD PRO 47 2HD PRO 47 2.996 8.292 0.893 356 H GLY 48 H GLY 48 3.593 2.648 0.345 357 1HA GLY 48 1HA GLY 48 4.669 1.508 2.380 358 2HA GLY 48 2HA GLY 48 3.259 2.094 3.264 359 H MET 49 H MET 49 2.661 -0.113 3.760 360 HA MET 49 HA MET 49 1.783 -1.736 1.418 361 1HB MET 49 1HB MET 49 1.723 -3.626 2.944 362 2HB MET 49 2HB MET 49 3.270 -2.803 3.139 363 1HG MET 49 1HG MET 49 2.643 -3.023 5.359 364 2HG MET 49 2HG MET 49 1.937 -1.449 4.990 365 1HE MET 49 1HE MET 49 1.760 -5.016 4.978 366 2HE MET 49 2HE MET 49 0.593 -5.243 6.278 367 3HE MET 49 3HE MET 49 0.095 -5.483 4.605 368 H ILE 50 H ILE 50 -0.305 -3.139 2.208 369 HA ILE 50 HA ILE 50 -2.191 -1.476 3.728 370 HB ILE 50 HB ILE 50 -2.280 -1.800 0.750 371 1HG1 ILE 50 1HG1 ILE 50 -2.895 0.408 2.727 372 2HG1 ILE 50 2HG1 ILE 50 -1.545 0.328 1.594 373 1HG2 ILE 50 1HG2 ILE 50 -4.378 -2.854 1.607 374 2HG2 ILE 50 2HG2 ILE 50 -4.743 -1.359 2.466 375 3HG2 ILE 50 3HG2 ILE 50 -4.679 -1.370 0.705 376 1HD1 ILE 50 1HD1 ILE 50 -4.461 0.406 0.776 377 2HD1 ILE 50 2HD1 ILE 50 -3.392 1.810 0.792 378 3HD1 ILE 50 3HD1 ILE 50 -3.065 0.464 -0.300 379 H ARG 51 H ARG 51 -4.326 -2.580 3.917 380 HA ARG 51 HA ARG 51 -4.432 -5.447 3.271 381 1HB ARG 51 1HB ARG 51 -3.228 -4.923 5.608 382 2HB ARG 51 2HB ARG 51 -4.900 -4.766 6.149 383 1HG ARG 51 1HG ARG 51 -5.300 -7.026 4.968 384 2HG ARG 51 2HG ARG 51 -3.544 -7.179 4.945 385 1HD ARG 51 1HD ARG 51 -3.539 -7.819 7.100 386 2HD ARG 51 2HD ARG 51 -4.373 -6.336 7.566 387 HE ARG 51 HE ARG 51 -6.055 -8.496 6.446 388 1HH1 ARG 51 1HH1 ARG 51 -4.487 -8.453 9.301 389 2HH1 ARG 51 2HH1 ARG 51 -5.872 -8.231 10.316 390 1HH2 ARG 51 1HH2 ARG 51 -8.007 -7.479 7.691 391 2HH2 ARG 51 2HH2 ARG 51 -7.863 -7.678 9.405 392 H ILE 52 H ILE 52 -6.662 -6.213 3.445 393 HA ILE 52 HA ILE 52 -8.672 -4.282 4.399 394 HB ILE 52 HB ILE 52 -8.772 -5.227 1.543 395 1HG1 ILE 52 1HG1 ILE 52 -7.841 -2.549 2.603 396 2HG1 ILE 52 2HG1 ILE 52 -6.824 -3.757 1.818 397 1HG2 ILE 52 1HG2 ILE 52 -10.341 -3.220 3.156 398 2HG2 ILE 52 2HG2 ILE 52 -10.398 -3.288 1.395 399 3HG2 ILE 52 3HG2 ILE 52 -10.942 -4.667 2.349 400 1HD1 ILE 52 1HD1 ILE 52 -9.181 -3.164 0.220 401 2HD1 ILE 52 2HD1 ILE 52 -8.240 -1.707 0.543 402 3HD1 ILE 52 3HD1 ILE 52 -7.478 -3.094 -0.235 403 H VAL 53 H VAL 53 -10.869 -5.167 4.276 404 HA VAL 53 HA VAL 53 -11.009 -8.117 4.040 405 HB VAL 53 HB VAL 53 -11.859 -6.453 6.433 406 1HG1 VAL 53 1HG1 VAL 53 -13.534 -8.198 5.669 407 2HG1 VAL 53 2HG1 VAL 53 -12.299 -9.413 5.995 408 3HG1 VAL 53 3HG1 VAL 53 -12.920 -8.413 7.309 409 1HG2 VAL 53 1HG2 VAL 53 -9.823 -8.635 5.956 410 2HG2 VAL 53 2HG2 VAL 53 -9.569 -7.035 6.652 411 3HG2 VAL 53 3HG2 VAL 53 -10.426 -8.271 7.572 412 H LYS 54 H LYS 54 -12.525 -8.270 2.440 413 HA LYS 54 HA LYS 54 -14.498 -6.274 1.871 414 1HB LYS 54 1HB LYS 54 -13.841 -7.800 0.124 415 2HB LYS 54 2HB LYS 54 -14.299 -9.197 1.098 416 1HG LYS 54 1HG LYS 54 -16.608 -8.727 0.898 417 2HG LYS 54 2HG LYS 54 -16.310 -7.070 0.370 418 1HD LYS 54 1HD LYS 54 -15.627 -7.747 -1.779 419 2HD LYS 54 2HD LYS 54 -15.323 -9.406 -1.259 420 1HE LYS 54 1HE LYS 54 -18.097 -8.514 -0.840 421 2HE LYS 54 2HE LYS 54 -17.610 -8.565 -2.534 422 1HZ LYS 54 1HZ LYS 54 -16.579 -10.855 -1.544 423 2HZ LYS 54 2HZ LYS 54 -18.037 -10.724 -0.681 424 3HZ LYS 54 3HZ LYS 54 -18.055 -10.732 -2.376 425 H GLN 55 H GLN 55 -16.277 -5.821 3.060 426 HA GLN 55 HA GLN 55 -17.923 -6.095 4.736 427 1HB GLN 55 1HB GLN 55 -19.057 -7.064 2.817 428 2HB GLN 55 2HB GLN 55 -18.240 -8.606 3.068 429 1HG GLN 55 1HG GLN 55 -19.410 -9.004 5.115 430 2HG GLN 55 2HG GLN 55 -20.009 -7.345 5.172 431 1HE2 GLN 55 2HE2 GLN 55 -22.212 -8.483 5.287 432 2HE2 GLN 55 1HE2 GLN 55 -22.942 -8.943 3.826 433 H HIS 56 H HIS 56 -17.606 -9.576 4.543 434 HA HIS 56 HA HIS 56 -15.866 -9.708 6.912 435 1HB HIS 56 1HB HIS 56 -17.474 -10.748 8.368 436 2HB HIS 56 2HB HIS 56 -18.207 -9.257 7.774 437 HD1 HIS 56 HD1 HIS 56 -19.933 -11.694 8.711 438 HD2 HIS 56 HD2 HIS 56 -18.889 -10.923 4.750 439 HE1 HIS 56 HE1 HIS 56 -21.656 -12.869 7.274 440 H GLY 57 H GLY 57 -15.123 -10.734 4.587 441 1HA GLY 57 1HA GLY 57 -15.622 -13.664 4.900 442 2HA GLY 57 2HA GLY 57 -15.587 -12.922 3.300 443 H HIS 58 H HIS 58 -13.593 -12.456 2.362 444 HA HIS 58 HA HIS 58 -11.218 -13.454 3.865 445 1HB HIS 58 1HB HIS 58 -12.125 -13.855 1.207 446 2HB HIS 58 2HB HIS 58 -10.664 -12.872 1.100 447 HD1 HIS 58 HD1 HIS 58 -10.492 -15.755 0.132 448 HD2 HIS 58 HD2 HIS 58 -9.685 -14.644 4.069 449 HE1 HIS 58 HE1 HIS 58 -9.031 -17.580 1.106 450 H GLU 59 H GLU 59 -9.120 -12.218 3.020 451 HA GLU 59 HA GLU 59 -9.737 -9.290 3.088 452 1HB GLU 59 1HB GLU 59 -7.611 -9.012 4.350 453 2HB GLU 59 2HB GLU 59 -8.769 -10.015 5.224 454 1HG GLU 59 1HG GLU 59 -7.338 -11.799 3.591 455 2HG GLU 59 2HG GLU 59 -6.126 -10.701 4.253 456 H GLU 60 H GLU 60 -8.454 -7.970 1.738 457 HA GLU 60 HA GLU 60 -6.818 -9.479 -0.259 458 1HB GLU 60 1HB GLU 60 -8.625 -7.102 -0.448 459 2HB GLU 60 2HB GLU 60 -7.238 -7.178 -1.534 460 1HG GLU 60 1HG GLU 60 -8.480 -8.519 -2.857 461 2HG GLU 60 2HG GLU 60 -8.318 -9.756 -1.609 462 H PHE 61 H PHE 61 -4.758 -8.639 -0.820 463 HA PHE 61 HA PHE 61 -3.652 -6.735 1.189 464 1HB PHE 61 1HB PHE 61 -2.477 -8.924 -0.500 465 2HB PHE 61 2HB PHE 61 -1.437 -7.623 0.080 466 HD1 PHE 61 HD1 PHE 61 -4.229 -9.733 1.456 467 HD2 PHE 61 HD2 PHE 61 -0.321 -8.058 2.068 468 HE1 PHE 61 HE1 PHE 61 -4.116 -10.811 3.686 469 HE2 PHE 61 HE2 PHE 61 -0.208 -9.138 4.296 470 HZ PHE 61 HZ PHE 61 -2.105 -10.513 5.107 471 H ILE 62 H ILE 62 -2.225 -5.022 0.428 472 HA ILE 62 HA ILE 62 -2.192 -4.446 -2.459 473 HB ILE 62 HB ILE 62 -3.549 -2.586 -0.484 474 1HG1 ILE 62 1HG1 ILE 62 -4.611 -4.105 -2.888 475 2HG1 ILE 62 2HG1 ILE 62 -4.953 -4.490 -1.201 476 1HG2 ILE 62 1HG2 ILE 62 -2.175 -2.075 -2.951 477 2HG2 ILE 62 2HG2 ILE 62 -3.900 -1.815 -3.204 478 3HG2 ILE 62 3HG2 ILE 62 -3.055 -0.935 -1.932 479 1HD1 ILE 62 1HD1 ILE 62 -5.887 -2.155 -0.952 480 2HD1 ILE 62 2HD1 ILE 62 -5.730 -1.975 -2.700 481 3HD1 ILE 62 3HD1 ILE 62 -6.810 -3.198 -2.031 482 H TYR 63 H TYR 63 -0.525 -3.010 -3.005 483 HA TYR 63 HA TYR 63 0.980 -1.676 -0.835 484 1HB TYR 63 1HB TYR 63 2.236 -3.653 -0.796 485 2HB TYR 63 2HB TYR 63 1.992 -3.960 -2.514 486 HD1 TYR 63 HD1 TYR 63 3.940 -2.056 -0.021 487 HD2 TYR 63 HD2 TYR 63 3.365 -2.866 -4.200 488 HE1 TYR 63 HE1 TYR 63 6.114 -0.976 -0.531 489 HE2 TYR 63 HE2 TYR 63 5.537 -1.784 -4.710 490 HH TYR 63 HH TYR 63 6.998 0.111 -3.403 491 H LEU 64 H LEU 64 1.736 0.291 -1.574 492 HA LEU 64 HA LEU 64 2.498 0.724 -4.329 493 1HB LEU 64 1HB LEU 64 0.708 2.141 -5.063 494 2HB LEU 64 2HB LEU 64 -0.030 0.656 -4.475 495 HG LEU 64 HG LEU 64 -1.360 2.367 -3.544 496 1HD1 LEU 64 1HD1 LEU 64 -0.406 0.661 -1.887 497 2HD1 LEU 64 2HD1 LEU 64 0.663 1.952 -1.343 498 3HD1 LEU 64 3HD1 LEU 64 -1.084 2.136 -1.201 499 1HD2 LEU 64 1HD2 LEU 64 0.723 4.028 -4.040 500 2HD2 LEU 64 2HD2 LEU 64 -0.647 4.476 -3.024 501 3HD2 LEU 64 3HD2 LEU 64 0.847 3.901 -2.285 502 H SER 65 H SER 65 2.935 3.120 -4.712 503 HA SER 65 HA SER 65 3.289 4.708 -2.246 504 1HB SER 65 1HB SER 65 5.699 4.307 -3.997 505 2HB SER 65 2HB SER 65 5.623 4.842 -2.320 506 HG SER 65 HG SER 65 6.313 2.604 -2.712 507 H GLY 66 H GLY 66 1.896 6.250 -3.214 508 1HA GLY 66 1HA GLY 66 2.342 8.486 -4.337 509 2HA GLY 66 2HA GLY 66 2.973 7.545 -5.689 510 H GLY 67 H GLY 67 0.155 8.898 -4.304 511 1HA GLY 67 1HA GLY 67 -1.447 8.345 -6.609 512 2HA GLY 67 2HA GLY 67 -1.889 7.223 -5.320 513 H ILE 68 H ILE 68 -3.945 8.708 -5.862 514 HA ILE 68 HA ILE 68 -3.877 10.993 -3.927 515 HB ILE 68 HB ILE 68 -5.957 10.788 -6.080 516 1HG1 ILE 68 1HG1 ILE 68 -3.823 10.445 -7.260 517 2HG1 ILE 68 2HG1 ILE 68 -4.459 12.055 -7.600 518 1HG2 ILE 68 1HG2 ILE 68 -4.944 12.741 -4.157 519 2HG2 ILE 68 2HG2 ILE 68 -5.029 13.398 -5.790 520 3HG2 ILE 68 3HG2 ILE 68 -6.473 12.725 -5.035 521 1HD1 ILE 68 1HD1 ILE 68 -2.859 12.196 -5.227 522 2HD1 ILE 68 2HD1 ILE 68 -1.929 11.378 -6.481 523 3HD1 ILE 68 3HD1 ILE 68 -2.586 12.987 -6.779 524 H LEU 69 H LEU 69 -5.377 10.924 -2.279 525 HA LEU 69 HA LEU 69 -7.305 8.654 -2.327 526 1HB LEU 69 1HB LEU 69 -5.815 8.277 -0.525 527 2HB LEU 69 2HB LEU 69 -5.790 9.984 -0.082 528 HG LEU 69 HG LEU 69 -8.411 8.542 -0.010 529 1HD1 LEU 69 1HD1 LEU 69 -6.164 8.247 1.998 530 2HD1 LEU 69 2HD1 LEU 69 -7.854 7.945 2.403 531 3HD1 LEU 69 3HD1 LEU 69 -7.053 6.963 1.177 532 1HD2 LEU 69 1HD2 LEU 69 -7.478 11.084 0.643 533 2HD2 LEU 69 2HD2 LEU 69 -9.022 10.392 1.142 534 3HD2 LEU 69 3HD2 LEU 69 -7.619 10.279 2.207 535 H GLU 70 H GLU 70 -9.427 9.051 -1.501 536 HA GLU 70 HA GLU 70 -10.237 11.749 -0.737 537 1HB GLU 70 1HB GLU 70 -10.156 12.088 -3.142 538 2HB GLU 70 2HB GLU 70 -11.060 10.599 -3.423 539 1HG GLU 70 1HG GLU 70 -12.699 11.975 -1.673 540 2HG GLU 70 2HG GLU 70 -12.039 13.265 -2.679 541 H VAL 71 H VAL 71 -12.030 11.562 0.563 542 HA VAL 71 HA VAL 71 -13.302 8.874 0.678 543 HB VAL 71 HB VAL 71 -12.374 9.820 2.778 544 1HG1 VAL 71 1HG1 VAL 71 -12.811 12.209 2.185 545 2HG1 VAL 71 2HG1 VAL 71 -14.533 11.922 2.433 546 3HG1 VAL 71 3HG1 VAL 71 -13.412 11.781 3.786 547 1HG2 VAL 71 1HG2 VAL 71 -15.111 8.931 2.327 548 2HG2 VAL 71 2HG2 VAL 71 -14.001 8.503 3.629 549 3HG2 VAL 71 3HG2 VAL 71 -14.996 9.953 3.760 550 H GLN 72 H GLN 72 -15.485 8.598 0.331 551 HA GLN 72 HA GLN 72 -17.028 11.024 -0.500 552 1HB GLN 72 1HB GLN 72 -17.857 8.383 -1.577 553 2HB GLN 72 2HB GLN 72 -17.789 9.952 -2.377 554 1HG GLN 72 1HG GLN 72 -15.325 9.771 -2.520 555 2HG GLN 72 2HG GLN 72 -15.405 8.185 -1.752 556 1HE2 GLN 72 2HE2 GLN 72 -15.871 9.908 -4.768 557 2HE2 GLN 72 1HE2 GLN 72 -16.278 8.551 -5.705 558 HA PRO 73 HA PRO 73 -20.237 9.715 2.201 559 1HB PRO 73 1HB PRO 73 -22.522 9.814 0.675 560 2HB PRO 73 2HB PRO 73 -21.653 11.252 1.237 561 1HG PRO 73 1HG PRO 73 -21.767 10.085 -1.497 562 2HG PRO 73 2HG PRO 73 -21.426 11.751 -1.002 563 1HD PRO 73 1HD PRO 73 -19.518 9.803 -1.803 564 2HD PRO 73 2HD PRO 73 -19.166 11.386 -1.076 565 H GLY 74 H GLY 74 -19.410 7.437 2.336 566 1HA GLY 74 1HA GLY 74 -20.334 5.228 2.665 567 2HA GLY 74 2HA GLY 74 -21.470 5.539 1.354 568 H ASN 75 H ASN 75 -18.787 6.697 0.037 569 HA ASN 75 HA ASN 75 -17.757 4.028 -0.824 570 1HB ASN 75 1HB ASN 75 -18.117 6.332 -2.742 571 2HB ASN 75 2HB ASN 75 -17.847 4.629 -3.115 572 1HD2 ASN 75 2HD2 ASN 75 -20.183 6.581 -3.740 573 2HD2 ASN 75 1HD2 ASN 75 -21.561 5.720 -3.250 574 H VAL 76 H VAL 76 -15.564 4.174 -1.794 575 HA VAL 76 HA VAL 76 -14.076 6.644 -1.049 576 HB VAL 76 HB VAL 76 -13.529 3.818 -0.140 577 1HG1 VAL 76 1HG1 VAL 76 -11.556 6.095 -0.452 578 2HG1 VAL 76 2HG1 VAL 76 -11.274 4.714 0.608 579 3HG1 VAL 76 3HG1 VAL 76 -11.438 4.473 -1.132 580 1HG2 VAL 76 1HG2 VAL 76 -14.259 6.389 1.050 581 2HG2 VAL 76 2HG2 VAL 76 -14.365 4.768 1.736 582 3HG2 VAL 76 3HG2 VAL 76 -12.850 5.666 1.826 583 H THR 77 H THR 77 -12.125 6.932 -2.305 584 HA THR 77 HA THR 77 -11.563 4.958 -4.427 585 HB THR 77 HB THR 77 -11.626 7.369 -5.845 586 HG1 THR 77 HG1 THR 77 -13.005 8.486 -4.713 587 1HG2 THR 77 1HG2 THR 77 -13.624 5.096 -5.708 588 2HG2 THR 77 2HG2 THR 77 -13.541 6.281 -7.011 589 3HG2 THR 77 3HG2 THR 77 -12.196 5.172 -6.740 590 H VAL 78 H VAL 78 -9.576 5.560 -5.643 591 HA VAL 78 HA VAL 78 -7.900 7.743 -4.936 592 HB VAL 78 HB VAL 78 -7.602 6.925 -2.747 593 1HG1 VAL 78 1HG1 VAL 78 -8.795 4.738 -3.334 594 2HG1 VAL 78 2HG1 VAL 78 -7.212 4.119 -3.801 595 3HG1 VAL 78 3HG1 VAL 78 -7.505 4.622 -2.136 596 1HG2 VAL 78 1HG2 VAL 78 -5.460 6.789 -4.530 597 2HG2 VAL 78 2HG2 VAL 78 -5.344 6.804 -2.771 598 3HG2 VAL 78 3HG2 VAL 78 -5.368 5.270 -3.641 599 H LEU 79 H LEU 79 -6.164 7.786 -6.352 600 HA LEU 79 HA LEU 79 -5.872 5.395 -8.115 601 1HB LEU 79 1HB LEU 79 -5.297 8.335 -8.555 602 2HB LEU 79 2HB LEU 79 -4.771 7.078 -9.676 603 HG LEU 79 HG LEU 79 -7.298 6.325 -9.538 604 1HD1 LEU 79 1HD1 LEU 79 -7.678 8.142 -7.746 605 2HD1 LEU 79 2HD1 LEU 79 -7.599 9.295 -9.077 606 3HD1 LEU 79 3HD1 LEU 79 -8.852 8.054 -9.061 607 1HD2 LEU 79 1HD2 LEU 79 -5.927 8.424 -11.143 608 2HD2 LEU 79 2HD2 LEU 79 -6.695 6.926 -11.671 609 3HD2 LEU 79 3HD2 LEU 79 -7.682 8.338 -11.296 610 H ALA 80 H ALA 80 -3.522 5.300 -9.072 611 HA ALA 80 HA ALA 80 -1.384 6.238 -7.333 612 1HB ALA 80 1HB ALA 80 -2.275 3.350 -7.236 613 2HB ALA 80 2HB ALA 80 -0.646 3.850 -6.778 614 3HB ALA 80 3HB ALA 80 -2.038 4.458 -5.884 615 H ASP 81 H ASP 81 0.761 5.360 -8.118 616 HA ASP 81 HA ASP 81 0.588 4.816 -11.052 617 1HB ASP 81 1HB ASP 81 2.612 6.239 -9.330 618 2HB ASP 81 2HB ASP 81 3.075 5.596 -10.905 619 H THR 82 H THR 82 2.403 3.945 -8.105 620 HA THR 82 HA THR 82 3.425 1.527 -9.500 621 HB THR 82 HB THR 82 4.141 2.772 -6.829 622 HG1 THR 82 HG1 THR 82 5.945 2.438 -8.908 623 1HG2 THR 82 1HG2 THR 82 5.189 0.318 -8.251 624 2HG2 THR 82 2HG2 THR 82 6.029 1.104 -6.912 625 3HG2 THR 82 3HG2 THR 82 4.436 0.389 -6.658 626 H ALA 83 H ALA 83 2.583 -0.468 -9.020 627 HA ALA 83 HA ALA 83 1.052 -0.792 -6.491 628 1HB ALA 83 1HB ALA 83 -0.101 -0.632 -9.151 629 2HB ALA 83 2HB ALA 83 -0.426 -2.204 -8.421 630 3HB ALA 83 3HB ALA 83 -0.916 -0.727 -7.590 631 H ILE 84 H ILE 84 2.160 -2.439 -5.556 632 HA ILE 84 HA ILE 84 2.605 -4.902 -7.163 633 HB ILE 84 HB ILE 84 4.628 -3.421 -5.467 634 1HG1 ILE 84 1HG1 ILE 84 5.505 -4.587 -7.982 635 2HG1 ILE 84 2HG1 ILE 84 4.111 -3.533 -8.225 636 1HG2 ILE 84 1HG2 ILE 84 4.257 -6.286 -5.827 637 2HG2 ILE 84 2HG2 ILE 84 5.823 -5.751 -6.437 638 3HG2 ILE 84 3HG2 ILE 84 5.370 -5.429 -4.763 639 1HD1 ILE 84 1HD1 ILE 84 5.421 -1.891 -6.650 640 2HD1 ILE 84 2HD1 ILE 84 6.821 -2.855 -7.120 641 3HD1 ILE 84 3HD1 ILE 84 5.879 -2.012 -8.350 642 H ARG 85 H ARG 85 0.558 -5.346 -5.848 643 HA ARG 85 HA ARG 85 0.323 -5.452 -3.095 644 1HB ARG 85 1HB ARG 85 -0.995 -7.617 -3.472 645 2HB ARG 85 2HB ARG 85 -1.528 -6.209 -4.391 646 1HG ARG 85 1HG ARG 85 -0.400 -6.980 -6.374 647 2HG ARG 85 2HG ARG 85 0.403 -8.272 -5.480 648 1HD ARG 85 1HD ARG 85 -1.591 -9.047 -6.806 649 2HD ARG 85 2HD ARG 85 -1.708 -9.392 -5.081 650 HE ARG 85 HE ARG 85 -2.920 -6.847 -5.676 651 1HH1 ARG 85 1HH1 ARG 85 -4.167 -8.771 -3.818 652 2HH1 ARG 85 2HH1 ARG 85 -5.523 -9.360 -4.721 653 1HH2 ARG 85 1HH2 ARG 85 -4.309 -8.248 -7.774 654 2HH2 ARG 85 2HH2 ARG 85 -5.602 -9.067 -6.962 655 H GLY 86 H GLY 86 0.627 -7.329 -1.586 656 1HA GLY 86 1HA GLY 86 3.264 -8.077 -1.227 657 2HA GLY 86 2HA GLY 86 1.923 -9.071 -0.660 658 H GLN 87 H GLN 87 0.815 -10.206 -2.762 659 HA GLN 87 HA GLN 87 2.497 -12.269 -3.585 660 1HB GLN 87 1HB GLN 87 0.080 -11.030 -4.903 661 2HB GLN 87 2HB GLN 87 0.910 -12.411 -5.623 662 1HG GLN 87 1HG GLN 87 0.666 -13.572 -3.365 663 2HG GLN 87 2HG GLN 87 -0.428 -12.264 -2.913 664 1HE2 GLN 87 2HE2 GLN 87 -2.069 -14.129 -2.811 665 2HE2 GLN 87 1HE2 GLN 87 -2.843 -14.578 -4.253 666 H ASP 88 H ASP 88 1.403 -10.169 -6.199 667 HA ASP 88 HA ASP 88 2.606 -9.094 -7.909 668 1HB ASP 88 1HB ASP 88 3.876 -8.202 -5.829 669 2HB ASP 88 2HB ASP 88 5.105 -9.397 -6.247 670 H LEU 89 H LEU 89 2.571 -12.144 -7.362 671 HA LEU 89 HA LEU 89 3.269 -13.990 -8.636 672 1HB LEU 89 1HB LEU 89 3.898 -11.705 -10.252 673 2HB LEU 89 2HB LEU 89 5.222 -12.861 -10.364 674 HG LEU 89 HG LEU 89 2.481 -13.993 -10.502 675 1HD1 LEU 89 1HD1 LEU 89 3.154 -11.763 -12.107 676 2HD1 LEU 89 2HD1 LEU 89 3.301 -13.180 -13.146 677 3HD1 LEU 89 3HD1 LEU 89 1.781 -12.851 -12.312 678 1HD2 LEU 89 1HD2 LEU 89 3.726 -15.722 -11.233 679 2HD2 LEU 89 2HD2 LEU 89 4.242 -14.762 -12.620 680 3HD2 LEU 89 3HD2 LEU 89 5.175 -14.723 -11.125 681 H ASP 90 H ASP 90 4.631 -13.086 -6.210 682 HA ASP 90 HA ASP 90 6.804 -14.859 -6.111 683 1HB ASP 90 1HB ASP 90 7.461 -12.496 -7.568 684 2HB ASP 90 2HB ASP 90 8.320 -12.426 -6.030 685 H GLU 91 H GLU 91 8.081 -14.583 -4.083 686 HA GLU 91 HA GLU 91 6.905 -12.605 -2.191 687 1HB GLU 91 1HB GLU 91 7.390 -15.438 -1.303 688 2HB GLU 91 2HB GLU 91 6.339 -14.216 -0.587 689 1HG GLU 91 1HG GLU 91 5.152 -14.386 -2.979 690 2HG GLU 91 2HG GLU 91 5.846 -16.006 -2.923 691 H ALA 92 H ALA 92 9.223 -15.338 -2.075 692 HA ALA 92 HA ALA 92 11.019 -13.975 -0.300 693 1HB ALA 92 1HB ALA 92 11.103 -16.450 -1.959 694 2HB ALA 92 2HB ALA 92 12.647 -15.788 -1.425 695 3HB ALA 92 3HB ALA 92 11.424 -16.241 -0.239 696 H ARG 93 H ARG 93 10.416 -13.561 -3.622 697 HA ARG 93 HA ARG 93 13.135 -12.679 -4.300 698 1HB ARG 93 1HB ARG 93 10.923 -13.552 -5.766 699 2HB ARG 93 2HB ARG 93 11.039 -11.831 -6.139 700 1HG ARG 93 1HG ARG 93 12.405 -13.186 -7.699 701 2HG ARG 93 2HG ARG 93 13.411 -12.105 -6.733 702 1HD ARG 93 1HD ARG 93 14.178 -13.859 -5.351 703 2HD ARG 93 2HD ARG 93 12.867 -14.932 -5.837 704 HE ARG 93 HE ARG 93 14.632 -14.170 -8.040 705 1HH1 ARG 93 1HH1 ARG 93 13.168 -16.693 -6.431 706 2HH1 ARG 93 2HH1 ARG 93 14.454 -17.832 -6.650 707 1HH2 ARG 93 1HH2 ARG 93 16.678 -15.479 -7.898 708 2HH2 ARG 93 2HH2 ARG 93 16.442 -17.144 -7.486 709 H ALA 94 H ALA 94 10.993 -11.352 -2.316 710 HA ALA 94 HA ALA 94 11.024 -8.608 -3.418 711 1HB ALA 94 1HB ALA 94 9.283 -10.009 -1.729 712 2HB ALA 94 2HB ALA 94 10.091 -8.852 -0.672 713 3HB ALA 94 3HB ALA 94 9.221 -8.286 -2.097 714 H MET 95 H MET 95 12.688 -10.581 -1.077 715 HA MET 95 HA MET 95 13.877 -8.425 0.430 716 1HB MET 95 1HB MET 95 14.069 -11.337 0.305 717 2HB MET 95 2HB MET 95 15.637 -10.579 0.579 718 1HG MET 95 1HG MET 95 14.287 -9.130 2.327 719 2HG MET 95 2HG MET 95 13.168 -10.493 2.280 720 1HE MET 95 1HE MET 95 14.501 -9.233 4.442 721 2HE MET 95 2HE MET 95 15.072 -10.515 5.508 722 3HE MET 95 3HE MET 95 16.230 -9.477 4.665 723 H GLU 96 H GLU 96 14.481 -9.749 -2.691 724 HA GLU 96 HA GLU 96 17.293 -8.980 -2.821 725 1HB GLU 96 1HB GLU 96 15.343 -9.589 -5.066 726 2HB GLU 96 2HB GLU 96 17.100 -9.522 -5.206 727 1HG GLU 96 1HG GLU 96 15.862 -11.350 -3.173 728 2HG GLU 96 2HG GLU 96 15.906 -11.844 -4.866 729 H ALA 97 H ALA 97 14.270 -7.363 -3.180 730 HA ALA 97 HA ALA 97 15.201 -5.260 -4.952 731 1HB ALA 97 1HB ALA 97 12.749 -5.924 -3.491 732 2HB ALA 97 2HB ALA 97 13.086 -4.192 -3.511 733 3HB ALA 97 3HB ALA 97 12.946 -5.081 -5.027 734 H LYS 98 H LYS 98 15.167 -5.769 -1.469 735 HA LYS 98 HA LYS 98 15.901 -3.005 -0.865 736 1HB LYS 98 1HB LYS 98 16.032 -3.730 1.422 737 2HB LYS 98 2HB LYS 98 14.649 -4.560 0.708 738 1HG LYS 98 1HG LYS 98 15.596 -6.473 1.454 739 2HG LYS 98 2HG LYS 98 16.765 -6.265 0.149 740 1HD LYS 98 1HD LYS 98 18.194 -6.411 1.974 741 2HD LYS 98 2HD LYS 98 17.947 -4.666 1.898 742 1HE LYS 98 1HE LYS 98 16.709 -4.625 3.816 743 2HE LYS 98 2HE LYS 98 15.929 -6.167 3.464 744 1HZ LYS 98 1HZ LYS 98 18.018 -7.281 4.050 745 2HZ LYS 98 2HZ LYS 98 18.696 -5.784 4.470 746 3HZ LYS 98 3HZ LYS 98 17.379 -6.395 5.351 747 H ARG 99 H ARG 99 17.569 -5.940 -1.678 748 HA ARG 99 HA ARG 99 20.129 -5.147 -0.544 749 1HB ARG 99 1HB ARG 99 19.060 -7.494 -1.618 750 2HB ARG 99 2HB ARG 99 20.300 -7.014 -2.776 751 1HG ARG 99 1HG ARG 99 21.624 -6.561 -0.450 752 2HG ARG 99 2HG ARG 99 20.587 -7.902 0.038 753 1HD ARG 99 1HD ARG 99 21.667 -9.395 -1.305 754 2HD ARG 99 2HD ARG 99 21.884 -8.220 -2.601 755 HE ARG 99 HE ARG 99 23.603 -8.210 -0.151 756 1HH1 ARG 99 1HH2 ARG 99 24.499 -9.823 -2.547 757 2HH1 ARG 99 2HH2 ARG 99 25.521 -8.690 -3.367 758 1HH2 ARG 99 1HH1 ARG 99 24.309 -5.941 -1.631 759 2HH2 ARG 99 2HH1 ARG 99 25.411 -6.489 -2.850 760 H LYS 100 H LYS 100 18.786 -5.201 -3.864 761 HA LYS 100 HA LYS 100 21.113 -3.951 -5.031 762 1HB LYS 100 1HB LYS 100 18.512 -4.897 -5.922 763 2HB LYS 100 2HB LYS 100 18.922 -3.353 -6.672 764 1HG LYS 100 1HG LYS 100 21.298 -4.570 -6.930 765 2HG LYS 100 2HG LYS 100 20.267 -5.999 -6.927 766 1HD LYS 100 1HD LYS 100 19.052 -5.265 -8.827 767 2HD LYS 100 2HD LYS 100 19.663 -3.617 -8.681 768 1HE LYS 100 1HE LYS 100 21.986 -5.087 -8.899 769 2HE LYS 100 2HE LYS 100 20.887 -5.955 -9.970 770 1HZ LYS 100 1HZ LYS 100 20.634 -3.136 -10.269 771 2HZ LYS 100 2HZ LYS 100 22.234 -3.637 -10.541 772 3HZ LYS 100 3HZ LYS 100 20.969 -4.317 -11.442 773 H ALA 101 H ALA 101 18.165 -2.736 -3.543 774 HA ALA 101 HA ALA 101 18.725 0.020 -4.432 775 1HB ALA 101 1HB ALA 101 16.380 -0.992 -4.134 776 2HB ALA 101 2HB ALA 101 16.655 -0.828 -2.399 777 3HB ALA 101 3HB ALA 101 16.649 0.604 -3.429 778 H GLU 102 H GLU 102 19.427 -2.029 -1.734 779 HA GLU 102 HA GLU 102 19.880 0.166 0.148 780 1HB GLU 102 1HB GLU 102 19.254 -1.983 1.067 781 2HB GLU 102 2HB GLU 102 20.590 -2.780 0.233 782 1HG GLU 102 1HG GLU 102 22.101 -2.140 1.800 783 2HG GLU 102 2HG GLU 102 21.426 -0.514 1.912 784 H GLU 103 H GLU 103 21.859 -1.887 -1.968 785 HA GLU 103 HA GLU 103 24.411 -1.021 -1.049 786 1HB GLU 103 1HB GLU 103 24.199 -2.919 -2.565 787 2HB GLU 103 2HB GLU 103 23.524 -1.879 -3.820 788 1HG GLU 103 1HG GLU 103 25.833 -2.141 -4.371 789 2HG GLU 103 2HG GLU 103 25.685 -0.528 -3.672 790 H HIS 104 H HIS 104 22.071 0.451 -3.222 791 HA HIS 104 HA HIS 104 23.821 2.472 -4.292 792 1HB HIS 104 1HB HIS 104 21.271 1.674 -4.840 793 2HB HIS 104 2HB HIS 104 20.962 3.163 -3.948 794 HD1 HIS 104 HD1 HIS 104 20.558 4.911 -5.688 795 HD2 HIS 104 HD2 HIS 104 23.826 2.509 -6.648 796 HE1 HIS 104 HE1 HIS 104 21.587 5.905 -7.778 797 H ILE 105 H ILE 105 22.012 2.155 -1.315 798 HA ILE 105 HA ILE 105 22.412 4.986 -0.605 799 HB ILE 105 HB ILE 105 21.346 2.759 1.145 800 1HG1 ILE 105 1HG1 ILE 105 19.713 4.610 -0.608 801 2HG1 ILE 105 2HG1 ILE 105 20.173 2.984 -1.115 802 1HG2 ILE 105 1HG2 ILE 105 21.535 5.715 1.265 803 2HG2 ILE 105 2HG2 ILE 105 19.998 5.023 1.786 804 3HG2 ILE 105 3HG2 ILE 105 21.498 4.535 2.575 805 1HD1 ILE 105 1HD1 ILE 105 19.191 2.502 1.394 806 2HD1 ILE 105 2HD1 ILE 105 18.164 3.838 0.873 807 3HD1 ILE 105 3HD1 ILE 105 18.242 2.360 -0.086 808 H SER 106 H SER 106 24.659 2.899 -0.942 809 HA SER 106 HA SER 106 25.791 2.272 1.578 810 1HB SER 106 1HB SER 106 27.991 2.315 0.317 811 2HB SER 106 2HB SER 106 26.744 1.301 -0.402 812 HG SER 106 HG SER 106 28.027 3.051 -1.672 813 H SER 107 H SER 107 26.792 4.989 -0.537 814 HA SER 107 HA SER 107 26.582 7.078 1.298 815 1HB SER 107 1HB SER 107 28.669 5.218 2.041 816 2HB SER 107 2HB SER 107 29.367 6.792 1.665 817 HG SER 107 HG SER 107 27.032 6.702 3.199 818 H SER 108 H SER 108 26.312 8.220 -0.662 819 HA SER 108 HA SER 108 28.817 8.570 -2.263 820 1HB SER 108 1HB SER 108 26.266 9.280 -3.561 821 2HB SER 108 2HB SER 108 27.643 8.390 -4.202 822 HG SER 108 HG SER 108 25.350 7.421 -3.367 823 H HIS 109 H HIS 109 27.601 10.762 -3.776 824 HA HIS 109 HA HIS 109 27.499 12.833 -1.616 825 1HB HIS 109 1HB HIS 109 28.959 12.758 -4.239 826 2HB HIS 109 2HB HIS 109 28.443 14.310 -3.580 827 HD1 HIS 109 HD1 HIS 109 29.905 15.314 -1.808 828 HD2 HIS 109 HD2 HIS 109 30.650 11.243 -2.311 829 HE1 HIS 109 HE1 HIS 109 31.905 14.766 -0.353 830 H GLY 110 H GLY 110 26.363 14.876 -2.385 831 1HA GLY 110 1HA GLY 110 24.818 15.738 -4.213 832 2HA GLY 110 2HA GLY 110 24.085 14.135 -4.178 833 H ASP 111 H ASP 111 22.784 16.709 -3.621 834 HA ASP 111 HA ASP 111 22.332 16.711 -0.710 835 1HB ASP 111 1HB ASP 111 21.654 18.465 -2.998 836 2HB ASP 111 2HB ASP 111 20.442 18.398 -1.719 837 H VAL 112 H VAL 112 20.252 16.314 -3.607 838 HA VAL 112 HA VAL 112 18.497 14.569 -1.925 839 HB VAL 112 HB VAL 112 16.633 15.258 -3.421 840 1HG1 VAL 112 1HG1 VAL 112 18.097 16.984 -1.578 841 2HG1 VAL 112 2HG1 VAL 112 17.163 17.913 -2.751 842 3HG1 VAL 112 3HG1 VAL 112 16.359 16.724 -1.726 843 1HG2 VAL 112 1HG2 VAL 112 18.887 16.452 -4.870 844 2HG2 VAL 112 2HG2 VAL 112 17.270 16.051 -5.447 845 3HG2 VAL 112 3HG2 VAL 112 17.558 17.582 -4.622 846 H ASP 113 H ASP 113 20.878 13.986 -3.723 847 HA ASP 113 HA ASP 113 19.795 12.584 -6.032 848 1HB ASP 113 1HB ASP 113 22.074 13.411 -6.115 849 2HB ASP 113 2HB ASP 113 22.497 12.495 -4.666 850 H TYR 114 H TYR 114 22.005 10.815 -3.992 851 HA TYR 114 HA TYR 114 20.251 8.507 -3.974 852 1HB TYR 114 1HB TYR 114 21.996 7.402 -2.757 853 2HB TYR 114 2HB TYR 114 22.807 8.465 -3.906 854 HD1 TYR 114 HD1 TYR 114 21.932 7.942 -0.364 855 HD2 TYR 114 HD2 TYR 114 23.982 10.468 -3.169 856 HE1 TYR 114 HE1 TYR 114 23.087 9.086 1.511 857 HE2 TYR 114 HE2 TYR 114 25.136 11.612 -1.296 858 HH TYR 114 HH TYR 114 25.471 10.449 1.641 859 H ALA 115 H ALA 115 20.705 11.267 -1.983 860 HA ALA 115 HA ALA 115 19.833 10.320 0.544 861 1HB ALA 115 1HB ALA 115 20.265 12.854 -0.753 862 2HB ALA 115 2HB ALA 115 18.730 12.906 0.120 863 3HB ALA 115 3HB ALA 115 20.218 12.501 0.976 864 H GLN 116 H GLN 116 18.031 11.337 -2.333 865 HA GLN 116 HA GLN 116 15.422 11.127 -1.098 866 1HB GLN 116 1HB GLN 116 16.493 11.836 -3.672 867 2HB GLN 116 2HB GLN 116 15.216 10.640 -3.894 868 1HG GLN 116 1HG GLN 116 14.952 13.172 -2.244 869 2HG GLN 116 2HG GLN 116 14.325 12.963 -3.881 870 1HE2 GLN 116 2HE2 GLN 116 12.524 13.519 -1.767 871 2HE2 GLN 116 1HE2 GLN 116 11.581 12.141 -1.463 872 H ALA 117 H ALA 117 17.554 8.909 -2.823 873 HA ALA 117 HA ALA 117 15.672 6.793 -3.213 874 1HB ALA 117 1HB ALA 117 18.200 7.139 -4.014 875 2HB ALA 117 2HB ALA 117 18.524 6.147 -2.592 876 3HB ALA 117 3HB ALA 117 17.491 5.529 -3.880 877 H SER 118 H SER 118 17.341 7.960 -0.405 878 HA SER 118 HA SER 118 17.407 5.679 1.244 879 1HB SER 118 1HB SER 118 18.208 8.077 1.758 880 2HB SER 118 2HB SER 118 16.547 8.397 2.249 881 HG SER 118 HG SER 118 17.062 7.480 4.059 882 H ALA 119 H ALA 119 14.691 7.869 0.537 883 HA ALA 119 HA ALA 119 12.865 6.507 2.335 884 1HB ALA 119 1HB ALA 119 12.820 8.835 0.670 885 2HB ALA 119 2HB ALA 119 11.437 7.826 0.243 886 3HB ALA 119 3HB ALA 119 11.660 8.359 1.909 887 H GLU 120 H GLU 120 13.589 6.317 -1.135 888 HA GLU 120 HA GLU 120 11.483 4.589 -1.915 889 1HB GLU 120 1HB GLU 120 14.345 4.668 -2.922 890 2HB GLU 120 2HB GLU 120 13.001 3.878 -3.748 891 1HG GLU 120 1HG GLU 120 12.688 6.749 -2.966 892 2HG GLU 120 2HG GLU 120 13.701 6.368 -4.358 893 H LEU 121 H LEU 121 14.248 3.994 0.072 894 HA LEU 121 HA LEU 121 14.290 1.104 -0.330 895 1HB LEU 121 1HB LEU 121 16.320 2.265 0.390 896 2HB LEU 121 2HB LEU 121 15.499 2.847 1.839 897 HG LEU 121 HG LEU 121 15.023 0.266 2.208 898 1HD1 LEU 121 1HD1 LEU 121 17.371 0.369 0.313 899 2HD1 LEU 121 2HD1 LEU 121 17.178 -0.953 1.464 900 3HD1 LEU 121 3HD1 LEU 121 15.944 -0.666 0.237 901 1HD2 LEU 121 1HD2 LEU 121 17.574 1.794 2.743 902 2HD2 LEU 121 2HD2 LEU 121 16.237 1.476 3.849 903 3HD2 LEU 121 3HD2 LEU 121 17.323 0.169 3.378 904 H ALA 122 H ALA 122 13.561 3.026 2.609 905 HA ALA 122 HA ALA 122 12.323 1.002 4.084 906 1HB ALA 122 1HB ALA 122 12.733 3.651 4.501 907 2HB ALA 122 2HB ALA 122 10.993 3.653 4.211 908 3HB ALA 122 3HB ALA 122 11.669 2.671 5.509 909 H LYS 123 H LYS 123 11.045 2.831 1.374 910 HA LYS 123 HA LYS 123 8.281 2.141 1.734 911 1HB LYS 123 1HB LYS 123 9.970 3.230 -0.449 912 2HB LYS 123 2HB LYS 123 8.493 2.410 -0.960 913 1HG LYS 123 1HG LYS 123 7.877 4.692 -0.621 914 2HG LYS 123 2HG LYS 123 7.274 3.821 0.791 915 1HD LYS 123 1HD LYS 123 9.435 4.441 1.965 916 2HD LYS 123 2HD LYS 123 9.783 5.505 0.602 917 1HE LYS 123 1HE LYS 123 7.268 6.308 1.133 918 2HE LYS 123 2HE LYS 123 7.739 5.783 2.749 919 1HZ LYS 123 1HZ LYS 123 9.686 7.379 1.298 920 2HZ LYS 123 2HZ LYS 123 8.280 8.192 1.786 921 3HZ LYS 123 3HZ LYS 123 9.254 7.416 2.941 922 H ALA 124 H ALA 124 10.923 0.596 -0.095 923 HA ALA 124 HA ALA 124 9.285 -1.532 -1.142 924 1HB ALA 124 1HB ALA 124 12.275 -1.280 -0.729 925 2HB ALA 124 2HB ALA 124 11.519 -2.663 -1.522 926 3HB ALA 124 3HB ALA 124 11.379 -1.055 -2.231 927 H ILE 125 H ILE 125 10.758 -0.960 1.940 928 HA ILE 125 HA ILE 125 10.947 -3.714 2.791 929 HB ILE 125 HB ILE 125 10.506 -1.346 4.616 930 1HG1 ILE 125 1HG1 ILE 125 12.225 -0.608 3.108 931 2HG1 ILE 125 2HG1 ILE 125 13.049 -1.177 4.560 932 1HG2 ILE 125 1HG2 ILE 125 10.766 -3.970 5.204 933 2HG2 ILE 125 2HG2 ILE 125 12.469 -3.517 5.145 934 3HG2 ILE 125 3HG2 ILE 125 11.375 -2.692 6.257 935 1HD1 ILE 125 1HD1 ILE 125 13.425 -3.374 3.463 936 2HD1 ILE 125 2HD1 ILE 125 12.656 -2.757 2.000 937 3HD1 ILE 125 3HD1 ILE 125 14.172 -2.053 2.562 938 H ALA 126 H ALA 126 8.293 -1.625 2.279 939 HA ALA 126 HA ALA 126 6.544 -2.839 4.287 940 1HB ALA 126 1HB ALA 126 6.191 -0.511 3.514 941 2HB ALA 126 2HB ALA 126 5.869 -1.110 1.887 942 3HB ALA 126 3HB ALA 126 4.772 -1.514 3.208 943 H GLN 127 H GLN 127 7.571 -3.587 1.085 944 HA GLN 127 HA GLN 127 5.253 -5.081 0.241 945 1HB GLN 127 1HB GLN 127 7.774 -4.384 -0.846 946 2HB GLN 127 2HB GLN 127 7.694 -6.146 -0.865 947 1HG GLN 127 1HG GLN 127 5.146 -5.080 -1.670 948 2HG GLN 127 2HG GLN 127 6.418 -4.341 -2.644 949 1HE2 GLN 127 2HE2 GLN 127 7.728 -5.760 -4.003 950 2HE2 GLN 127 1HE2 GLN 127 7.257 -7.358 -4.326 951 H LEU 128 H LEU 128 8.055 -5.832 2.222 952 HA LEU 128 HA LEU 128 7.656 -8.710 2.160 953 1HB LEU 128 1HB LEU 128 9.818 -7.451 2.761 954 2HB LEU 128 2HB LEU 128 9.079 -7.170 4.337 955 HG LEU 128 HG LEU 128 8.641 -9.880 3.892 956 1HD1 LEU 128 1HD1 LEU 128 11.445 -9.125 3.009 957 2HD1 LEU 128 2HD1 LEU 128 10.869 -10.767 3.297 958 3HD1 LEU 128 3HD1 LEU 128 10.194 -9.814 1.974 959 1HD2 LEU 128 1HD2 LEU 128 10.411 -8.176 5.558 960 2HD2 LEU 128 2HD2 LEU 128 9.271 -9.429 6.047 961 3HD2 LEU 128 3HD2 LEU 128 10.869 -9.876 5.450 962 H ARG 129 H ARG 129 6.056 -6.139 3.720 963 HA ARG 129 HA ARG 129 5.216 -7.711 6.058 964 1HB ARG 129 1HB ARG 129 4.699 -4.939 5.032 965 2HB ARG 129 2HB ARG 129 3.583 -5.634 6.208 966 1HG ARG 129 1HG ARG 129 5.906 -6.284 7.402 967 2HG ARG 129 2HG ARG 129 6.431 -4.834 6.542 968 1HD ARG 129 1HD ARG 129 4.106 -3.911 7.532 969 2HD ARG 129 2HD ARG 129 4.472 -5.114 8.770 970 HE ARG 129 HE ARG 129 6.025 -2.666 8.220 971 1HH1 ARG 129 1HH2 ARG 129 5.244 -3.288 10.971 972 2HH1 ARG 129 2HH2 ARG 129 6.665 -4.021 11.637 973 1HH2 ARG 129 1HH1 ARG 129 8.098 -4.671 8.547 974 2HH2 ARG 129 2HH1 ARG 129 8.282 -4.802 10.264 975 H VAL 130 H VAL 130 3.824 -6.606 2.983 976 HA VAL 130 HA VAL 130 1.193 -7.684 3.504 977 HB VAL 130 HB VAL 130 1.049 -7.532 0.916 978 1HG1 VAL 130 1HG1 VAL 130 1.226 -5.448 2.981 979 2HG1 VAL 130 2HG1 VAL 130 1.502 -4.843 1.347 980 3HG1 VAL 130 3HG1 VAL 130 0.005 -5.692 1.732 981 1HG2 VAL 130 1HG2 VAL 130 3.641 -7.582 0.810 982 2HG2 VAL 130 2HG2 VAL 130 2.800 -6.429 -0.227 983 3HG2 VAL 130 3HG2 VAL 130 3.552 -5.883 1.272 984 H ILE 131 H ILE 131 4.196 -9.057 2.441 985 HA ILE 131 HA ILE 131 2.905 -11.461 1.322 986 HB ILE 131 HB ILE 131 5.152 -12.207 0.824 987 1HG1 ILE 131 1HG1 ILE 131 6.062 -9.880 2.551 988 2HG1 ILE 131 2HG1 ILE 131 6.160 -11.585 2.996 989 1HG2 ILE 131 1HG2 ILE 131 4.080 -9.754 -0.054 990 2HG2 ILE 131 2HG2 ILE 131 5.789 -9.440 0.246 991 3HG2 ILE 131 3HG2 ILE 131 5.309 -10.724 -0.865 992 1HD1 ILE 131 1HD1 ILE 131 7.598 -11.988 1.000 993 2HD1 ILE 131 2HD1 ILE 131 7.564 -10.259 0.658 994 3HD1 ILE 131 3HD1 ILE 131 8.324 -10.852 2.135 995 H GLU 132 H GLU 132 4.544 -10.436 4.267 996 HA GLU 132 HA GLU 132 4.615 -13.158 5.358 997 1HB GLU 132 1HB GLU 132 5.218 -10.441 6.558 998 2HB GLU 132 2HB GLU 132 5.376 -11.958 7.447 999 1HG GLU 132 1HG GLU 132 6.750 -11.494 4.794 1000 2HG GLU 132 2HG GLU 132 7.508 -11.080 6.332 1001 H LEU 133 H LEU 133 2.355 -10.562 5.231 1002 HA LEU 133 HA LEU 133 0.902 -11.417 7.643 1003 1HB LEU 133 1HB LEU 133 0.883 -9.122 5.871 1004 2HB LEU 133 2HB LEU 133 -0.752 -9.737 6.111 1005 HG LEU 133 HG LEU 133 0.199 -9.873 8.655 1006 1HD1 LEU 133 1HD1 LEU 133 1.851 -7.934 7.146 1007 2HD1 LEU 133 2HD1 LEU 133 1.192 -7.338 8.669 1008 3HD1 LEU 133 3HD1 LEU 133 2.204 -8.782 8.651 1009 1HD2 LEU 133 1HD2 LEU 133 -1.748 -8.488 7.282 1010 2HD2 LEU 133 2HD2 LEU 133 -1.482 -8.386 9.023 1011 3HD2 LEU 133 3HD2 LEU 133 -0.769 -7.182 7.950 1012 H THR 134 H THR 134 0.366 -11.464 4.108 1013 HA THR 134 HA THR 134 -2.095 -12.995 4.355 1014 HB THR 134 HB THR 134 -1.468 -11.475 2.405 1015 HG1 THR 134 HG1 THR 134 -2.104 -14.157 1.748 1016 1HG2 THR 134 1HG2 THR 134 0.290 -13.863 1.787 1017 2HG2 THR 134 2HG2 THR 134 -0.122 -12.610 0.614 1018 3HG2 THR 134 3HG2 THR 134 0.817 -12.200 2.051 1019 H LYS 135 H LYS 135 1.215 -13.772 4.533 1020 HA LYS 135 HA LYS 135 1.485 -16.266 3.325 1021 1HB LYS 135 1HB LYS 135 2.690 -14.905 5.624 1022 2HB LYS 135 2HB LYS 135 2.682 -16.660 5.799 1023 1HG LYS 135 1HG LYS 135 3.500 -15.547 3.153 1024 2HG LYS 135 2HG LYS 135 4.640 -15.391 4.490 1025 1HD LYS 135 1HD LYS 135 3.872 -17.978 4.810 1026 2HD LYS 135 2HD LYS 135 3.728 -17.820 3.059 1027 1HE LYS 135 1HE LYS 135 6.189 -16.864 4.521 1028 2HE LYS 135 2HE LYS 135 6.025 -18.542 4.001 1029 1HZ LYS 135 1HZ LYS 135 5.316 -17.269 1.782 1030 2HZ LYS 135 2HZ LYS 135 6.414 -16.139 2.419 1031 3HZ LYS 135 3HZ LYS 135 6.915 -17.730 2.119 1032 H LYS 136 H LYS 136 -0.450 -15.408 6.109 1033 HA LYS 136 HA LYS 136 -0.919 -18.196 6.889 1034 1HB LYS 136 1HB LYS 136 -2.154 -15.573 7.769 1035 2HB LYS 136 2HB LYS 136 -2.617 -17.137 8.436 1036 1HG LYS 136 1HG LYS 136 -0.141 -17.497 8.951 1037 2HG LYS 136 2HG LYS 136 0.084 -15.788 8.580 1038 1HD LYS 136 1HD LYS 136 -2.134 -16.440 10.446 1039 2HD LYS 136 2HD LYS 136 -0.499 -16.682 11.063 1040 1HE LYS 136 1HE LYS 136 -0.466 -14.215 9.678 1041 2HE LYS 136 2HE LYS 136 -1.925 -14.208 10.668 1042 1HZ LYS 136 1HZ LYS 136 -0.028 -15.270 12.302 1043 2HZ LYS 136 2HZ LYS 136 0.819 -14.059 11.466 1044 3HZ LYS 136 3HZ LYS 136 -0.584 -13.669 12.339 1045 H ALA 137 H ALA 137 -2.659 -15.655 5.118 1046 HA ALA 137 HA ALA 137 -5.166 -16.944 4.885 1047 1HB ALA 137 1HB ALA 137 -4.740 -14.618 4.147 1048 2HB ALA 137 2HB ALA 137 -3.770 -15.230 2.808 1049 3HB ALA 137 3HB ALA 137 -5.499 -15.572 2.872 1050 H MET 138 H MET 138 -2.815 -16.824 2.189 1051 HA MET 138 HA MET 138 -2.304 -18.439 0.565 1052 1HB MET 138 1HB MET 138 -2.581 -19.891 3.109 1053 2HB MET 138 2HB MET 138 -2.864 -20.896 1.686 1054 1HG MET 138 1HG MET 138 -0.667 -19.533 0.868 1055 2HG MET 138 2HG MET 138 -0.369 -19.584 2.605 1056 1HE MET 138 1HE MET 138 -0.389 -21.375 4.010 1057 2HE MET 138 2HE MET 138 0.135 -23.021 3.633 1058 3HE MET 138 3HE MET 138 1.242 -21.669 3.412 Start of MODEL 30 1 1H ALA 1 1H ALA 1 -22.710 0.047 12.583 2 2H ALA 1 2H ALA 1 -23.767 1.263 12.053 3 3H ALA 1 3H ALA 1 -24.342 -0.318 12.287 4 HA ALA 1 HA ALA 1 -23.216 -1.148 10.431 5 1HB ALA 1 1HB ALA 1 -24.953 1.116 10.225 6 2HB ALA 1 2HB ALA 1 -23.739 1.238 8.952 7 3HB ALA 1 3HB ALA 1 -24.744 -0.205 9.076 8 H MET 2 H MET 2 -20.925 -0.870 11.405 9 HA MET 2 HA MET 2 -19.411 1.426 10.363 10 1HB MET 2 1HB MET 2 -18.682 -1.021 11.980 11 2HB MET 2 2HB MET 2 -17.451 0.071 11.344 12 1HG MET 2 1HG MET 2 -17.995 1.748 12.799 13 2HG MET 2 2HG MET 2 -19.717 1.372 12.745 14 1HE MET 2 1HE MET 2 -16.417 -0.124 13.369 15 2HE MET 2 2HE MET 2 -16.444 -0.875 14.970 16 3HE MET 2 3HE MET 2 -17.160 -1.706 13.590 17 H THR 3 H THR 3 -19.493 1.202 8.084 18 HA THR 3 HA THR 3 -17.515 -0.472 6.887 19 HB THR 3 HB THR 3 -19.598 -1.651 5.522 20 HG1 THR 3 HG1 THR 3 -20.865 -0.754 7.395 21 1HG2 THR 3 1HG2 THR 3 -17.617 -2.422 7.567 22 2HG2 THR 3 2HG2 THR 3 -18.977 -3.532 7.403 23 3HG2 THR 3 3HG2 THR 3 -17.968 -3.161 6.004 24 H TYR 4 H TYR 4 -17.143 0.187 4.748 25 HA TYR 4 HA TYR 4 -19.184 1.952 3.503 26 1HB TYR 4 1HB TYR 4 -17.435 3.602 2.920 27 2HB TYR 4 2HB TYR 4 -17.621 3.437 4.661 28 HD1 TYR 4 HD1 TYR 4 -16.099 1.413 5.678 29 HD2 TYR 4 HD2 TYR 4 -15.261 3.669 2.120 30 HE1 TYR 4 HE1 TYR 4 -13.701 0.857 5.898 31 HE2 TYR 4 HE2 TYR 4 -12.857 3.111 2.331 32 HH TYR 4 HH TYR 4 -11.711 0.848 4.798 33 H HIS 5 H HIS 5 -17.055 2.636 1.432 34 HA HIS 5 HA HIS 5 -16.930 -0.036 0.090 35 1HB HIS 5 1HB HIS 5 -18.814 1.495 -0.707 36 2HB HIS 5 2HB HIS 5 -17.553 2.559 -1.322 37 HD1 HIS 5 HD1 HIS 5 -15.644 0.995 -2.803 38 HD2 HIS 5 HD2 HIS 5 -19.639 -0.179 -2.706 39 HE1 HIS 5 HE1 HIS 5 -15.984 -0.537 -4.790 40 H LEU 6 H LEU 6 -15.027 -0.423 -1.058 41 HA LEU 6 HA LEU 6 -12.972 1.693 -0.976 42 1HB LEU 6 1HB LEU 6 -12.947 -0.951 -0.080 43 2HB LEU 6 2HB LEU 6 -12.062 -0.991 -1.608 44 HG LEU 6 HG LEU 6 -10.479 -0.468 0.101 45 1HD1 LEU 6 1HD1 LEU 6 -11.131 1.248 -2.027 46 2HD1 LEU 6 2HD1 LEU 6 -10.727 2.297 -0.670 47 3HD1 LEU 6 3HD1 LEU 6 -9.559 1.099 -1.234 48 1HD2 LEU 6 1HD2 LEU 6 -12.577 1.508 0.967 49 2HD2 LEU 6 2HD2 LEU 6 -11.807 0.240 1.917 50 3HD2 LEU 6 3HD2 LEU 6 -10.893 1.676 1.464 51 H ASP 7 H ASP 7 -12.347 2.492 -2.962 52 HA ASP 7 HA ASP 7 -12.741 0.743 -5.344 53 1HB ASP 7 1HB ASP 7 -14.282 3.050 -4.748 54 2HB ASP 7 2HB ASP 7 -13.185 3.503 -6.052 55 H VAL 8 H VAL 8 -10.317 0.685 -4.525 56 HA VAL 8 HA VAL 8 -8.792 2.993 -5.620 57 HB VAL 8 HB VAL 8 -8.017 2.381 -3.449 58 1HG1 VAL 8 1HG1 VAL 8 -8.648 -0.332 -4.425 59 2HG1 VAL 8 2HG1 VAL 8 -7.192 -0.231 -3.436 60 3HG1 VAL 8 3HG1 VAL 8 -8.735 0.326 -2.791 61 1HG2 VAL 8 1HG2 VAL 8 -6.352 2.325 -5.613 62 2HG2 VAL 8 2HG2 VAL 8 -5.794 2.198 -3.944 63 3HG2 VAL 8 3HG2 VAL 8 -6.029 0.740 -4.909 64 H VAL 9 H VAL 9 -7.741 2.807 -7.552 65 HA VAL 9 HA VAL 9 -7.370 0.064 -8.677 66 HB VAL 9 HB VAL 9 -8.217 2.497 -10.273 67 1HG1 VAL 9 1HG1 VAL 9 -6.914 0.579 -11.366 68 2HG1 VAL 9 2HG1 VAL 9 -8.324 -0.428 -11.033 69 3HG1 VAL 9 3HG1 VAL 9 -8.472 0.976 -12.091 70 1HG2 VAL 9 1HG2 VAL 9 -9.767 0.786 -8.561 71 2HG2 VAL 9 2HG2 VAL 9 -10.327 2.106 -9.588 72 3HG2 VAL 9 3HG2 VAL 9 -10.217 0.469 -10.237 73 H SER 10 H SER 10 -5.460 -0.217 -9.869 74 HA SER 10 HA SER 10 -3.741 2.109 -10.434 75 1HB SER 10 1HB SER 10 -2.219 0.054 -9.011 76 2HB SER 10 2HB SER 10 -2.214 1.802 -8.792 77 HG SER 10 HG SER 10 -4.217 1.525 -7.646 78 H ALA 11 H ALA 11 -1.363 0.507 -10.789 79 HA ALA 11 HA ALA 11 -1.542 -0.346 -13.412 80 1HB ALA 11 1HB ALA 11 0.247 -0.961 -11.150 81 2HB ALA 11 2HB ALA 11 0.208 -2.208 -12.396 82 3HB ALA 11 3HB ALA 11 0.645 -0.552 -12.818 83 H GLU 12 H GLU 12 -2.761 -1.878 -14.385 84 HA GLU 12 HA GLU 12 -3.830 -3.958 -14.725 85 1HB GLU 12 1HB GLU 12 -3.113 -4.809 -11.931 86 2HB GLU 12 2HB GLU 12 -3.280 -5.797 -13.384 87 1HG GLU 12 1HG GLU 12 -1.258 -4.125 -14.134 88 2HG GLU 12 2HG GLU 12 -0.947 -4.266 -12.404 89 H GLN 13 H GLN 13 -5.726 -2.492 -14.565 90 HA GLN 13 HA GLN 13 -7.157 -1.707 -12.353 91 1HB GLN 13 1HB GLN 13 -7.845 -1.401 -14.760 92 2HB GLN 13 2HB GLN 13 -8.454 -3.057 -14.737 93 1HG GLN 13 1HG GLN 13 -9.339 -1.231 -12.547 94 2HG GLN 13 2HG GLN 13 -10.033 -0.983 -14.149 95 1HE2 GLN 13 2HE2 GLN 13 -11.589 -1.957 -11.911 96 2HE2 GLN 13 1HE2 GLN 13 -12.068 -3.546 -12.266 97 H GLN 14 H GLN 14 -7.078 -3.063 -10.543 98 HA GLN 14 HA GLN 14 -9.059 -5.022 -10.188 99 1HB GLN 14 1HB GLN 14 -6.968 -6.036 -11.774 100 2HB GLN 14 2HB GLN 14 -6.712 -6.721 -10.168 101 1HG GLN 14 1HG GLN 14 -9.515 -6.808 -10.731 102 2HG GLN 14 2HG GLN 14 -8.655 -7.488 -12.113 103 1HE2 GLN 14 2HE2 GLN 14 -10.256 -9.010 -10.137 104 2HE2 GLN 14 1HE2 GLN 14 -9.189 -10.105 -9.400 105 H MET 15 H MET 15 -8.046 -2.978 -8.612 106 HA MET 15 HA MET 15 -6.332 -4.257 -6.558 107 1HB MET 15 1HB MET 15 -7.053 -1.489 -7.304 108 2HB MET 15 2HB MET 15 -6.926 -1.778 -5.567 109 1HG MET 15 1HG MET 15 -4.768 -3.006 -7.157 110 2HG MET 15 2HG MET 15 -4.792 -1.244 -7.211 111 1HE MET 15 1HE MET 15 -2.668 -1.115 -6.382 112 2HE MET 15 2HE MET 15 -2.142 -1.250 -4.699 113 3HE MET 15 3HE MET 15 -2.188 -2.679 -5.729 114 H PHE 16 H PHE 16 -8.798 -1.925 -5.676 115 HA PHE 16 HA PHE 16 -10.374 -4.122 -4.415 116 1HB PHE 16 1HB PHE 16 -8.838 -3.058 -2.724 117 2HB PHE 16 2HB PHE 16 -9.671 -1.531 -3.006 118 HD1 PHE 16 HD1 PHE 16 -12.060 -4.024 -3.523 119 HD2 PHE 16 HD2 PHE 16 -9.914 -2.096 -0.336 120 HE1 PHE 16 HE1 PHE 16 -13.819 -4.705 -1.928 121 HE2 PHE 16 HE2 PHE 16 -11.684 -2.770 1.253 122 HZ PHE 16 HZ PHE 16 -13.631 -4.087 0.458 123 H SER 17 H SER 17 -12.337 -3.963 -5.373 124 HA SER 17 HA SER 17 -13.611 -1.282 -5.419 125 1HB SER 17 1HB SER 17 -14.400 -1.546 -7.655 126 2HB SER 17 2HB SER 17 -12.694 -1.984 -7.713 127 HG SER 17 HG SER 17 -14.799 -3.453 -8.372 128 H GLY 18 H GLY 18 -14.493 -2.402 -3.404 129 1HA GLY 18 1HA GLY 18 -17.148 -3.400 -3.967 130 2HA GLY 18 2HA GLY 18 -16.097 -4.690 -3.380 131 H LEU 19 H LEU 19 -18.268 -3.989 -1.832 132 HA LEU 19 HA LEU 19 -18.066 -1.960 0.057 133 1HB LEU 19 1HB LEU 19 -19.030 -4.803 0.252 134 2HB LEU 19 2HB LEU 19 -19.006 -3.782 1.691 135 HG LEU 19 HG LEU 19 -20.371 -3.068 -0.921 136 1HD1 LEU 19 1HD1 LEU 19 -21.263 -4.943 0.794 137 2HD1 LEU 19 2HD1 LEU 19 -21.877 -3.505 1.610 138 3HD1 LEU 19 3HD1 LEU 19 -22.351 -3.846 -0.054 139 1HD2 LEU 19 1HD2 LEU 19 -20.180 -1.713 1.782 140 2HD2 LEU 19 2HD2 LEU 19 -19.692 -1.064 0.216 141 3HD2 LEU 19 3HD2 LEU 19 -21.402 -1.287 0.584 142 H VAL 20 H VAL 20 -17.304 -2.193 2.409 143 HA VAL 20 HA VAL 20 -15.133 -4.029 2.974 144 HB VAL 20 HB VAL 20 -13.565 -2.857 1.789 145 1HG1 VAL 20 1HG1 VAL 20 -15.630 -0.716 1.868 146 2HG1 VAL 20 2HG1 VAL 20 -13.965 -0.230 1.542 147 3HG1 VAL 20 3HG1 VAL 20 -14.766 -1.398 0.492 148 1HG2 VAL 20 1HG2 VAL 20 -13.909 -0.992 4.160 149 2HG2 VAL 20 2HG2 VAL 20 -12.852 -2.404 4.083 150 3HG2 VAL 20 3HG2 VAL 20 -12.514 -0.997 3.080 151 H GLU 21 H GLU 21 -14.038 -3.384 5.082 152 HA GLU 21 HA GLU 21 -15.941 -1.836 6.784 153 1HB GLU 21 1HB GLU 21 -15.948 -4.310 7.225 154 2HB GLU 21 2HB GLU 21 -14.238 -4.195 7.644 155 1HG GLU 21 1HG GLU 21 -15.273 -2.193 9.181 156 2HG GLU 21 2HG GLU 21 -16.616 -3.337 9.178 157 H LYS 22 H LYS 22 -12.538 -2.705 6.171 158 HA LYS 22 HA LYS 22 -11.697 -0.069 7.041 159 1HB LYS 22 1HB LYS 22 -11.947 -0.865 9.265 160 2HB LYS 22 2HB LYS 22 -11.248 -2.434 8.865 161 1HG LYS 22 1HG LYS 22 -9.076 -1.332 8.407 162 2HG LYS 22 2HG LYS 22 -9.777 0.218 8.872 163 1HD LYS 22 1HD LYS 22 -9.990 -0.409 11.126 164 2HD LYS 22 2HD LYS 22 -9.895 -2.131 10.752 165 1HE LYS 22 1HE LYS 22 -7.779 -1.511 11.712 166 2HE LYS 22 2HE LYS 22 -7.513 -1.727 9.983 167 1HZ LYS 22 1HZ LYS 22 -8.180 0.918 11.115 168 2HZ LYS 22 2HZ LYS 22 -6.576 0.357 11.075 169 3HZ LYS 22 3HZ LYS 22 -7.442 0.555 9.630 170 H ILE 23 H ILE 23 -9.958 0.398 5.799 171 HA ILE 23 HA ILE 23 -8.343 -1.847 4.670 172 HB ILE 23 HB ILE 23 -7.630 -0.304 2.978 173 1HG1 ILE 23 1HG1 ILE 23 -9.034 1.937 4.442 174 2HG1 ILE 23 2HG1 ILE 23 -7.317 1.601 4.657 175 1HG2 ILE 23 1HG2 ILE 23 -10.344 -0.836 3.474 176 2HG2 ILE 23 2HG2 ILE 23 -10.275 0.865 3.022 177 3HG2 ILE 23 3HG2 ILE 23 -9.621 -0.361 1.936 178 1HD1 ILE 23 1HD1 ILE 23 -8.254 1.749 1.850 179 2HD1 ILE 23 2HD1 ILE 23 -8.268 3.268 2.743 180 3HD1 ILE 23 3HD1 ILE 23 -6.767 2.360 2.574 181 H GLN 24 H GLN 24 -5.986 -0.251 4.193 182 HA GLN 24 HA GLN 24 -5.053 1.069 6.553 183 1HB GLN 24 1HB GLN 24 -5.313 -1.611 7.030 184 2HB GLN 24 2HB GLN 24 -3.644 -1.525 6.462 185 1HG GLN 24 1HG GLN 24 -3.310 0.393 8.100 186 2HG GLN 24 2HG GLN 24 -4.883 -0.024 8.780 187 1HE2 GLN 24 2HE2 GLN 24 -1.523 -0.857 8.782 188 2HE2 GLN 24 1HE2 GLN 24 -1.650 -2.252 9.741 189 H VAL 25 H VAL 25 -4.241 2.369 4.758 190 HA VAL 25 HA VAL 25 -2.046 1.127 3.186 191 HB VAL 25 HB VAL 25 -2.152 3.505 2.081 192 1HG1 VAL 25 1HG1 VAL 25 -3.626 1.037 1.704 193 2HG1 VAL 25 2HG1 VAL 25 -4.557 2.419 1.125 194 3HG1 VAL 25 3HG1 VAL 25 -2.940 2.118 0.491 195 1HG2 VAL 25 1HG2 VAL 25 -3.862 4.071 4.063 196 2HG2 VAL 25 2HG2 VAL 25 -4.015 4.804 2.467 197 3HG2 VAL 25 3HG2 VAL 25 -5.018 3.420 2.900 198 H THR 26 H THR 26 -0.268 1.123 4.552 199 HA THR 26 HA THR 26 0.405 3.659 5.954 200 HB THR 26 HB THR 26 0.409 1.367 7.132 201 HG1 THR 26 HG1 THR 26 1.440 3.225 7.960 202 1HG2 THR 26 1HG2 THR 26 1.834 0.512 5.026 203 2HG2 THR 26 2HG2 THR 26 3.167 1.007 6.069 204 3HG2 THR 26 3HG2 THR 26 2.012 -0.201 6.629 205 H GLY 27 H GLY 27 2.015 4.944 5.178 206 1HA GLY 27 1HA GLY 27 3.940 3.744 3.230 207 2HA GLY 27 2HA GLY 27 3.158 5.286 2.885 208 H SER 28 H SER 28 3.787 7.145 4.102 209 HA SER 28 HA SER 28 6.130 6.761 5.911 210 1HB SER 28 1HB SER 28 7.382 8.460 4.826 211 2HB SER 28 2HB SER 28 6.746 7.471 3.514 212 HG SER 28 HG SER 28 6.484 9.985 3.668 213 H GLU 29 H GLU 29 3.617 9.007 4.746 214 HA GLU 29 HA GLU 29 3.797 10.457 7.340 215 1HB GLU 29 1HB GLU 29 3.196 11.227 4.613 216 2HB GLU 29 2HB GLU 29 1.883 11.698 5.693 217 1HG GLU 29 1HG GLU 29 3.627 12.699 7.228 218 2HG GLU 29 2HG GLU 29 4.816 12.405 5.958 219 H GLY 30 H GLY 30 1.001 9.921 5.222 220 1HA GLY 30 1HA GLY 30 -0.846 9.646 7.366 221 2HA GLY 30 2HA GLY 30 -1.141 9.101 5.714 222 H GLU 31 H GLU 31 -0.799 8.045 8.867 223 HA GLU 31 HA GLU 31 0.105 5.332 8.007 224 1HB GLU 31 1HB GLU 31 0.522 4.904 10.385 225 2HB GLU 31 2HB GLU 31 1.354 6.377 9.885 226 1HG GLU 31 1HG GLU 31 -1.357 6.957 10.749 227 2HG GLU 31 2HG GLU 31 -0.455 6.120 12.013 228 H LEU 32 H LEU 32 -2.633 6.577 7.686 229 HA LEU 32 HA LEU 32 -4.146 4.508 9.235 230 1HB LEU 32 1HB LEU 32 -4.758 7.382 8.659 231 2HB LEU 32 2HB LEU 32 -6.106 6.239 8.736 232 HG LEU 32 HG LEU 32 -3.997 6.374 10.903 233 1HD1 LEU 32 1HD1 LEU 32 -5.621 8.501 10.280 234 2HD1 LEU 32 2HD1 LEU 32 -6.610 7.622 11.446 235 3HD1 LEU 32 3HD1 LEU 32 -4.990 8.161 11.891 236 1HD2 LEU 32 1HD2 LEU 32 -6.436 4.858 10.362 237 2HD2 LEU 32 2HD2 LEU 32 -5.174 4.555 11.557 238 3HD2 LEU 32 3HD2 LEU 32 -6.493 5.665 11.930 239 H GLY 33 H GLY 33 -6.024 3.641 8.115 240 1HA GLY 33 1HA GLY 33 -5.616 3.606 5.170 241 2HA GLY 33 2HA GLY 33 -6.499 2.385 6.094 242 H ILE 34 H ILE 34 -8.695 2.589 6.162 243 HA ILE 34 HA ILE 34 -9.923 5.250 6.047 244 HB ILE 34 HB ILE 34 -10.304 3.227 3.825 245 1HG1 ILE 34 1HG1 ILE 34 -8.456 4.896 3.613 246 2HG1 ILE 34 2HG1 ILE 34 -9.729 5.158 2.417 247 1HG2 ILE 34 1HG2 ILE 34 -12.489 4.094 4.702 248 2HG2 ILE 34 2HG2 ILE 34 -11.914 5.734 4.415 249 3HG2 ILE 34 3HG2 ILE 34 -12.152 4.635 3.058 250 1HD1 ILE 34 1HD1 ILE 34 -10.767 6.765 4.137 251 2HD1 ILE 34 2HD1 ILE 34 -9.206 6.701 4.960 252 3HD1 ILE 34 3HD1 ILE 34 -9.310 7.315 3.307 253 H TYR 35 H TYR 35 -12.185 5.173 6.605 254 HA TYR 35 HA TYR 35 -13.294 2.569 7.446 255 1HB TYR 35 1HB TYR 35 -13.780 4.192 9.672 256 2HB TYR 35 2HB TYR 35 -12.668 2.830 9.607 257 HD1 TYR 35 HD1 TYR 35 -10.248 3.320 8.758 258 HD2 TYR 35 HD2 TYR 35 -12.983 6.369 10.060 259 HE1 TYR 35 HE1 TYR 35 -8.351 4.876 9.091 260 HE2 TYR 35 HE2 TYR 35 -11.081 7.926 10.394 261 HH TYR 35 HH TYR 35 -7.967 7.309 9.178 262 HA PRO 36 HA PRO 36 -17.119 4.550 6.618 263 1HB PRO 36 1HB PRO 36 -18.730 3.806 8.725 264 2HB PRO 36 2HB PRO 36 -18.258 2.713 7.413 265 1HG PRO 36 1HG PRO 36 -17.243 2.828 10.220 266 2HG PRO 36 2HG PRO 36 -17.349 1.443 9.120 267 1HD PRO 36 1HD PRO 36 -15.003 2.874 9.697 268 2HD PRO 36 2HD PRO 36 -15.228 1.792 8.307 269 H GLY 37 H GLY 37 -16.156 6.720 6.986 270 1HA GLY 37 1HA GLY 37 -17.212 8.811 7.904 271 2HA GLY 37 2HA GLY 37 -17.204 8.007 9.476 272 H HIS 38 H HIS 38 -14.519 7.615 7.273 273 HA HIS 38 HA HIS 38 -12.550 8.329 9.160 274 1HB HIS 38 1HB HIS 38 -11.888 7.108 7.205 275 2HB HIS 38 2HB HIS 38 -12.512 8.363 6.134 276 HD1 HIS 38 HD1 HIS 38 -10.126 8.682 5.086 277 HD2 HIS 38 HD2 HIS 38 -10.337 9.536 9.161 278 HE1 HIS 38 HE1 HIS 38 -7.994 9.919 5.669 279 H ALA 39 H ALA 39 -12.597 10.300 6.257 280 HA ALA 39 HA ALA 39 -13.537 12.721 7.497 281 1HB ALA 39 1HB ALA 39 -11.019 12.038 8.368 282 2HB ALA 39 2HB ALA 39 -10.658 13.087 6.998 283 3HB ALA 39 3HB ALA 39 -11.653 13.682 8.327 284 HA PRO 40 HA PRO 40 -13.403 14.046 3.319 285 1HB PRO 40 1HB PRO 40 -13.014 16.752 3.605 286 2HB PRO 40 2HB PRO 40 -14.543 15.937 3.978 287 1HG PRO 40 1HG PRO 40 -12.488 17.018 5.848 288 2HG PRO 40 2HG PRO 40 -14.226 16.782 6.105 289 1HD PRO 40 1HD PRO 40 -12.159 15.095 7.060 290 2HD PRO 40 2HD PRO 40 -13.893 14.712 7.030 291 H LEU 41 H LEU 41 -11.135 12.862 3.272 292 HA LEU 41 HA LEU 41 -8.824 14.678 3.147 293 1HB LEU 41 1HB LEU 41 -9.276 11.755 3.091 294 2HB LEU 41 2HB LEU 41 -7.940 12.318 2.089 295 HG LEU 41 HG LEU 41 -7.193 11.790 4.392 296 1HD1 LEU 41 1HD1 LEU 41 -6.338 13.792 2.913 297 2HD1 LEU 41 2HD1 LEU 41 -7.101 14.783 4.157 298 3HD1 LEU 41 3HD1 LEU 41 -5.813 13.660 4.592 299 1HD2 LEU 41 1HD2 LEU 41 -9.107 14.021 5.150 300 2HD2 LEU 41 2HD2 LEU 41 -9.297 12.316 5.557 301 3HD2 LEU 41 3HD2 LEU 41 -7.965 13.244 6.246 302 H LEU 42 H LEU 42 -7.827 15.359 1.231 303 HA LEU 42 HA LEU 42 -8.814 14.332 -1.352 304 1HB LEU 42 1HB LEU 42 -9.834 16.753 -0.189 305 2HB LEU 42 2HB LEU 42 -8.880 17.161 -1.616 306 HG LEU 42 HG LEU 42 -11.155 15.158 -1.487 307 1HD1 LEU 42 1HD1 LEU 42 -11.110 17.964 -1.886 308 2HD1 LEU 42 2HD1 LEU 42 -11.388 17.239 -3.469 309 3HD1 LEU 42 3HD1 LEU 42 -12.471 16.869 -2.128 310 1HD2 LEU 42 1HD2 LEU 42 -8.907 15.163 -3.175 311 2HD2 LEU 42 2HD2 LEU 42 -10.415 14.286 -3.435 312 3HD2 LEU 42 3HD2 LEU 42 -10.196 15.891 -4.133 313 H THR 43 H THR 43 -6.286 13.987 -0.355 314 HA THR 43 HA THR 43 -4.689 15.915 -1.991 315 HB THR 43 HB THR 43 -3.037 16.064 -0.355 316 HG1 THR 43 HG1 THR 43 -3.959 14.001 1.245 317 1HG2 THR 43 1HG2 THR 43 -5.634 16.537 0.443 318 2HG2 THR 43 2HG2 THR 43 -5.017 15.515 1.742 319 3HG2 THR 43 3HG2 THR 43 -4.194 17.022 1.339 320 H ALA 44 H ALA 44 -2.246 14.360 -1.451 321 HA ALA 44 HA ALA 44 -2.821 12.110 -3.316 322 1HB ALA 44 1HB ALA 44 -0.884 14.046 -3.428 323 2HB ALA 44 2HB ALA 44 -0.010 12.722 -2.657 324 3HB ALA 44 3HB ALA 44 -0.771 12.479 -4.231 325 H ILE 45 H ILE 45 -1.050 10.245 -2.894 326 HA ILE 45 HA ILE 45 -1.053 9.668 0.041 327 HB ILE 45 HB ILE 45 -1.294 7.384 -1.858 328 1HG1 ILE 45 1HG1 ILE 45 -3.715 9.032 -1.075 329 2HG1 ILE 45 2HG1 ILE 45 -2.938 9.161 -2.654 330 1HG2 ILE 45 1HG2 ILE 45 -2.118 8.123 0.927 331 2HG2 ILE 45 2HG2 ILE 45 -3.002 6.848 0.090 332 3HG2 ILE 45 3HG2 ILE 45 -1.266 6.688 0.358 333 1HD1 ILE 45 1HD1 ILE 45 -3.992 6.573 -1.480 334 2HD1 ILE 45 2HD1 ILE 45 -4.870 7.569 -2.640 335 3HD1 ILE 45 3HD1 ILE 45 -3.349 6.807 -3.105 336 H LYS 46 H LYS 46 0.563 7.846 0.540 337 HA LYS 46 HA LYS 46 3.006 8.284 -1.124 338 1HB LYS 46 1HB LYS 46 2.505 8.126 1.761 339 2HB LYS 46 2HB LYS 46 3.833 7.090 1.237 340 1HG LYS 46 1HG LYS 46 4.508 9.456 1.843 341 2HG LYS 46 2HG LYS 46 4.986 8.942 0.225 342 1HD LYS 46 1HD LYS 46 3.413 10.290 -0.821 343 2HD LYS 46 2HD LYS 46 2.333 10.288 0.575 344 1HE LYS 46 1HE LYS 46 4.922 11.820 0.246 345 2HE LYS 46 2HE LYS 46 3.301 12.479 0.478 346 1HZ LYS 46 1HZ LYS 46 3.451 10.994 2.632 347 2HZ LYS 46 2HZ LYS 46 5.115 11.273 2.423 348 3HZ LYS 46 3HZ LYS 46 4.053 12.583 2.598 349 HA PRO 47 HA PRO 47 3.212 4.006 -2.087 350 1HB PRO 47 1HB PRO 47 5.919 3.544 -1.954 351 2HB PRO 47 2HB PRO 47 5.146 4.455 -3.262 352 1HG PRO 47 1HG PRO 47 6.770 5.467 -0.973 353 2HG PRO 47 2HG PRO 47 6.530 6.176 -2.578 354 1HD PRO 47 1HD PRO 47 5.245 7.003 -0.197 355 2HD PRO 47 2HD PRO 47 4.772 7.457 -1.848 356 H GLY 48 H GLY 48 2.948 2.090 -0.955 357 1HA GLY 48 1HA GLY 48 4.580 1.169 1.170 358 2HA GLY 48 2HA GLY 48 3.210 2.015 1.889 359 H MET 49 H MET 49 2.549 -0.090 2.759 360 HA MET 49 HA MET 49 1.502 -1.995 0.723 361 1HB MET 49 1HB MET 49 1.288 -3.575 2.576 362 2HB MET 49 2HB MET 49 2.916 -2.896 2.571 363 1HG MET 49 1HG MET 49 2.478 -1.508 4.421 364 2HG MET 49 2HG MET 49 0.730 -1.626 4.209 365 1HE MET 49 1HE MET 49 -0.435 -3.545 4.065 366 2HE MET 49 2HE MET 49 0.067 -5.189 4.452 367 3HE MET 49 3HE MET 49 -0.660 -4.180 5.700 368 H ILE 50 H ILE 50 -0.712 -3.023 1.498 369 HA ILE 50 HA ILE 50 -2.430 -1.014 2.823 370 HB ILE 50 HB ILE 50 -2.612 -0.289 0.552 371 1HG1 ILE 50 1HG1 ILE 50 -4.907 -2.152 1.244 372 2HG1 ILE 50 2HG1 ILE 50 -4.765 -0.453 1.697 373 1HG2 ILE 50 1HG2 ILE 50 -2.275 -3.146 0.040 374 2HG2 ILE 50 2HG2 ILE 50 -3.565 -2.440 -0.933 375 3HG2 ILE 50 3HG2 ILE 50 -1.933 -1.773 -1.013 376 1HD1 ILE 50 1HD1 ILE 50 -4.585 -1.193 -1.200 377 2HD1 ILE 50 2HD1 ILE 50 -6.170 -1.146 -0.431 378 3HD1 ILE 50 3HD1 ILE 50 -5.162 0.300 -0.464 379 H ARG 51 H ARG 51 -3.132 -2.396 4.436 380 HA ARG 51 HA ARG 51 -4.118 -5.090 3.641 381 1HB ARG 51 1HB ARG 51 -2.616 -5.102 5.558 382 2HB ARG 51 2HB ARG 51 -3.577 -3.860 6.362 383 1HG ARG 51 1HG ARG 51 -5.003 -5.401 7.179 384 2HG ARG 51 2HG ARG 51 -5.254 -6.088 5.574 385 1HD ARG 51 1HD ARG 51 -4.093 -7.897 6.249 386 2HD ARG 51 2HD ARG 51 -2.657 -6.873 6.311 387 HE ARG 51 HE ARG 51 -4.016 -7.930 8.596 388 1HH1 ARG 51 1HH1 ARG 51 -1.587 -5.865 7.617 389 2HH1 ARG 51 2HH1 ARG 51 -1.595 -4.880 9.041 390 1HH2 ARG 51 1HH2 ARG 51 -4.476 -6.306 10.336 391 2HH2 ARG 51 2HH2 ARG 51 -3.229 -5.128 10.580 392 H ILE 52 H ILE 52 -6.320 -5.668 4.066 393 HA ILE 52 HA ILE 52 -8.086 -3.555 5.150 394 HB ILE 52 HB ILE 52 -8.691 -4.777 2.472 395 1HG1 ILE 52 1HG1 ILE 52 -7.375 -2.101 2.955 396 2HG1 ILE 52 2HG1 ILE 52 -6.522 -3.532 2.383 397 1HG2 ILE 52 1HG2 ILE 52 -9.882 -2.716 4.229 398 2HG2 ILE 52 2HG2 ILE 52 -9.877 -2.358 2.503 399 3HG2 ILE 52 3HG2 ILE 52 -10.659 -3.820 3.100 400 1HD1 ILE 52 1HD1 ILE 52 -8.866 -3.203 0.782 401 2HD1 ILE 52 2HD1 ILE 52 -8.020 -1.655 0.843 402 3HD1 ILE 52 3HD1 ILE 52 -7.178 -3.100 0.280 403 H VAL 53 H VAL 53 -10.373 -4.346 5.277 404 HA VAL 53 HA VAL 53 -10.605 -7.298 5.453 405 HB VAL 53 HB VAL 53 -11.283 -5.291 7.627 406 1HG1 VAL 53 1HG1 VAL 53 -12.992 -7.181 7.110 407 2HG1 VAL 53 2HG1 VAL 53 -11.769 -8.258 7.782 408 3HG1 VAL 53 3HG1 VAL 53 -12.455 -6.972 8.776 409 1HG2 VAL 53 1HG2 VAL 53 -8.980 -6.830 7.111 410 2HG2 VAL 53 2HG2 VAL 53 -9.374 -5.984 8.608 411 3HG2 VAL 53 3HG2 VAL 53 -9.829 -7.677 8.405 412 H LYS 54 H LYS 54 -12.163 -7.568 3.892 413 HA LYS 54 HA LYS 54 -14.178 -5.588 3.303 414 1HB LYS 54 1HB LYS 54 -15.075 -7.225 1.769 415 2HB LYS 54 2HB LYS 54 -13.316 -7.337 1.692 416 1HG LYS 54 1HG LYS 54 -13.694 -9.564 2.014 417 2HG LYS 54 2HG LYS 54 -13.842 -9.092 3.708 418 1HD LYS 54 1HD LYS 54 -15.907 -10.016 3.606 419 2HD LYS 54 2HD LYS 54 -16.364 -8.560 2.722 420 1HE LYS 54 1HE LYS 54 -16.897 -9.915 0.998 421 2HE LYS 54 2HE LYS 54 -15.166 -10.173 0.788 422 1HZ LYS 54 1HZ LYS 54 -15.622 -11.879 2.736 423 2HZ LYS 54 2HZ LYS 54 -17.166 -11.893 2.033 424 3HZ LYS 54 3HZ LYS 54 -15.806 -12.305 1.101 425 H GLN 55 H GLN 55 -16.096 -5.262 4.332 426 HA GLN 55 HA GLN 55 -17.749 -5.551 5.994 427 1HB GLN 55 1HB GLN 55 -17.872 -7.627 4.056 428 2HB GLN 55 2HB GLN 55 -18.196 -8.367 5.623 429 1HG GLN 55 1HG GLN 55 -19.735 -6.232 5.943 430 2HG GLN 55 2HG GLN 55 -19.728 -6.238 4.180 431 1HE2 GLN 55 2HE2 GLN 55 -22.031 -6.876 4.172 432 2HE2 GLN 55 1HE2 GLN 55 -22.483 -8.471 4.539 433 H HIS 56 H HIS 56 -18.370 -7.936 7.467 434 HA HIS 56 HA HIS 56 -16.102 -7.878 9.370 435 1HB HIS 56 1HB HIS 56 -18.988 -8.286 9.541 436 2HB HIS 56 2HB HIS 56 -18.094 -9.524 10.425 437 HD1 HIS 56 HD1 HIS 56 -16.769 -8.793 12.501 438 HD2 HIS 56 HD2 HIS 56 -18.579 -5.608 10.512 439 HE1 HIS 56 HE1 HIS 56 -16.561 -6.783 14.029 440 H GLY 57 H GLY 57 -14.681 -9.214 8.018 441 1HA GLY 57 1HA GLY 57 -14.115 -11.727 8.647 442 2HA GLY 57 2HA GLY 57 -15.546 -12.033 7.662 443 H HIS 58 H HIS 58 -12.637 -12.699 7.199 444 HA HIS 58 HA HIS 58 -11.362 -12.931 5.228 445 1HB HIS 58 1HB HIS 58 -13.772 -12.564 4.190 446 2HB HIS 58 2HB HIS 58 -13.114 -10.982 3.774 447 HD1 HIS 58 HD1 HIS 58 -10.812 -11.034 2.355 448 HD2 HIS 58 HD2 HIS 58 -12.930 -14.621 2.521 449 HE1 HIS 58 HE1 HIS 58 -9.897 -12.493 0.499 450 H GLU 59 H GLU 59 -9.850 -11.560 3.939 451 HA GLU 59 HA GLU 59 -9.723 -8.708 4.361 452 1HB GLU 59 1HB GLU 59 -7.454 -8.984 5.675 453 2HB GLU 59 2HB GLU 59 -8.983 -9.009 6.553 454 1HG GLU 59 1HG GLU 59 -8.996 -11.469 6.490 455 2HG GLU 59 2HG GLU 59 -7.482 -11.460 5.585 456 H GLU 60 H GLU 60 -8.466 -7.884 2.731 457 HA GLU 60 HA GLU 60 -6.439 -9.707 1.500 458 1HB GLU 60 1HB GLU 60 -8.370 -7.871 0.046 459 2HB GLU 60 2HB GLU 60 -7.094 -8.818 -0.717 460 1HG GLU 60 1HG GLU 60 -8.740 -10.472 1.019 461 2HG GLU 60 2HG GLU 60 -9.714 -9.668 -0.214 462 H PHE 61 H PHE 61 -4.486 -8.710 1.022 463 HA PHE 61 HA PHE 61 -4.369 -5.757 1.485 464 1HB PHE 61 1HB PHE 61 -1.973 -6.252 2.261 465 2HB PHE 61 2HB PHE 61 -3.272 -6.731 3.353 466 HD1 PHE 61 HD1 PHE 61 -0.961 -7.981 0.720 467 HD2 PHE 61 HD2 PHE 61 -3.610 -9.012 3.940 468 HE1 PHE 61 HE1 PHE 61 -0.171 -10.330 0.616 469 HE2 PHE 61 HE2 PHE 61 -2.818 -11.360 3.839 470 HZ PHE 61 HZ PHE 61 -1.099 -12.020 2.178 471 H ILE 62 H ILE 62 -3.521 -4.615 -0.183 472 HA ILE 62 HA ILE 62 -2.043 -6.132 -2.296 473 HB ILE 62 HB ILE 62 -3.164 -3.441 -2.903 474 1HG1 ILE 62 1HG1 ILE 62 -5.060 -4.283 -1.702 475 2HG1 ILE 62 2HG1 ILE 62 -5.403 -4.565 -3.409 476 1HG2 ILE 62 1HG2 ILE 62 -1.927 -5.023 -4.487 477 2HG2 ILE 62 2HG2 ILE 62 -3.365 -6.044 -4.429 478 3HG2 ILE 62 3HG2 ILE 62 -3.473 -4.402 -5.065 479 1HD1 ILE 62 1HD1 ILE 62 -3.958 -6.825 -2.485 480 2HD1 ILE 62 2HD1 ILE 62 -5.203 -6.490 -1.280 481 3HD1 ILE 62 3HD1 ILE 62 -5.654 -6.755 -2.965 482 H TYR 63 H TYR 63 -1.310 -3.448 -3.472 483 HA TYR 63 HA TYR 63 0.280 -2.040 -1.519 484 1HB TYR 63 1HB TYR 63 1.785 -3.849 -1.461 485 2HB TYR 63 2HB TYR 63 1.574 -4.202 -3.172 486 HD1 TYR 63 HD1 TYR 63 2.428 -2.482 -4.870 487 HD2 TYR 63 HD2 TYR 63 3.548 -2.444 -0.726 488 HE1 TYR 63 HE1 TYR 63 4.397 -1.092 -5.424 489 HE2 TYR 63 HE2 TYR 63 5.523 -1.045 -1.276 490 HH TYR 63 HH TYR 63 6.475 0.238 -2.886 491 H LEU 64 H LEU 64 1.020 -0.100 -2.404 492 HA LEU 64 HA LEU 64 0.943 0.197 -5.359 493 1HB LEU 64 1HB LEU 64 -0.305 2.403 -4.991 494 2HB LEU 64 2HB LEU 64 -1.254 0.931 -4.789 495 HG LEU 64 HG LEU 64 -0.331 1.222 -2.263 496 1HD1 LEU 64 1HD1 LEU 64 -0.434 3.972 -3.511 497 2HD1 LEU 64 2HD1 LEU 64 -0.687 3.728 -1.783 498 3HD1 LEU 64 3HD1 LEU 64 0.846 3.268 -2.524 499 1HD2 LEU 64 1HD2 LEU 64 -2.743 2.589 -3.500 500 2HD2 LEU 64 2HD2 LEU 64 -2.678 0.934 -2.891 501 3HD2 LEU 64 3HD2 LEU 64 -2.534 2.292 -1.775 502 H SER 65 H SER 65 1.557 2.760 -5.704 503 HA SER 65 HA SER 65 3.972 3.194 -3.990 504 1HB SER 65 1HB SER 65 4.439 2.578 -6.383 505 2HB SER 65 2HB SER 65 3.588 4.038 -6.877 506 HG SER 65 HG SER 65 6.090 3.863 -6.279 507 H GLY 66 H GLY 66 1.491 4.863 -5.950 508 1HA GLY 66 1HA GLY 66 1.351 6.971 -3.899 509 2HA GLY 66 2HA GLY 66 1.911 7.503 -5.484 510 H GLY 67 H GLY 67 0.090 8.732 -6.037 511 1HA GLY 67 1HA GLY 67 -1.914 8.400 -7.508 512 2HA GLY 67 2HA GLY 67 -2.444 7.171 -6.358 513 H ILE 68 H ILE 68 -4.269 9.070 -6.802 514 HA ILE 68 HA ILE 68 -3.947 11.091 -4.631 515 HB ILE 68 HB ILE 68 -5.763 10.948 -7.045 516 1HG1 ILE 68 1HG1 ILE 68 -4.238 13.384 -6.357 517 2HG1 ILE 68 2HG1 ILE 68 -3.242 11.979 -6.736 518 1HG2 ILE 68 1HG2 ILE 68 -6.061 12.435 -4.483 519 2HG2 ILE 68 2HG2 ILE 68 -6.364 13.343 -5.965 520 3HG2 ILE 68 3HG2 ILE 68 -7.297 11.888 -5.615 521 1HD1 ILE 68 1HD1 ILE 68 -5.049 11.781 -8.730 522 2HD1 ILE 68 2HD1 ILE 68 -5.075 13.528 -8.490 523 3HD1 ILE 68 3HD1 ILE 68 -3.561 12.715 -8.884 524 H LEU 69 H LEU 69 -5.116 10.844 -2.789 525 HA LEU 69 HA LEU 69 -7.136 8.662 -2.717 526 1HB LEU 69 1HB LEU 69 -5.536 8.333 -1.008 527 2HB LEU 69 2HB LEU 69 -5.475 10.048 -0.614 528 HG LEU 69 HG LEU 69 -6.777 8.437 0.975 529 1HD1 LEU 69 1HD1 LEU 69 -6.868 11.118 0.523 530 2HD1 LEU 69 2HD1 LEU 69 -8.554 10.684 0.239 531 3HD1 LEU 69 3HD1 LEU 69 -7.794 10.307 1.786 532 1HD2 LEU 69 1HD2 LEU 69 -8.121 7.825 -1.352 533 2HD2 LEU 69 2HD2 LEU 69 -8.747 7.544 0.273 534 3HD2 LEU 69 3HD2 LEU 69 -9.197 9.006 -0.606 535 H GLU 70 H GLU 70 -9.221 9.286 -2.894 536 HA GLU 70 HA GLU 70 -9.994 11.953 -1.775 537 1HB GLU 70 1HB GLU 70 -10.179 12.138 -4.156 538 2HB GLU 70 2HB GLU 70 -10.933 10.548 -4.287 539 1HG GLU 70 1HG GLU 70 -12.965 11.300 -3.349 540 2HG GLU 70 2HG GLU 70 -12.218 12.747 -2.671 541 H VAL 71 H VAL 71 -11.868 11.964 -0.504 542 HA VAL 71 HA VAL 71 -12.955 9.269 0.151 543 HB VAL 71 HB VAL 71 -12.034 10.686 2.002 544 1HG1 VAL 71 1HG1 VAL 71 -13.827 12.613 0.733 545 2HG1 VAL 71 2HG1 VAL 71 -14.116 12.478 2.468 546 3HG1 VAL 71 3HG1 VAL 71 -12.509 12.892 1.871 547 1HG2 VAL 71 1HG2 VAL 71 -14.919 9.832 1.903 548 2HG2 VAL 71 2HG2 VAL 71 -13.574 9.091 2.767 549 3HG2 VAL 71 3HG2 VAL 71 -14.280 10.594 3.359 550 H GLN 72 H GLN 72 -15.234 8.940 0.228 551 HA GLN 72 HA GLN 72 -16.916 11.083 -0.980 552 1HB GLN 72 1HB GLN 72 -17.450 8.281 -1.848 553 2HB GLN 72 2HB GLN 72 -17.641 9.788 -2.742 554 1HG GLN 72 1HG GLN 72 -15.169 9.960 -2.936 555 2HG GLN 72 2HG GLN 72 -15.019 8.401 -2.128 556 1HE2 GLN 72 2HE2 GLN 72 -15.297 6.522 -3.402 557 2HE2 GLN 72 1HE2 GLN 72 -15.757 6.548 -5.035 558 HA PRO 73 HA PRO 73 -19.925 9.752 1.923 559 1HB PRO 73 1HB PRO 73 -22.266 9.837 0.483 560 2HB PRO 73 2HB PRO 73 -21.394 11.282 1.023 561 1HG PRO 73 1HG PRO 73 -21.580 10.116 -1.712 562 2HG PRO 73 2HG PRO 73 -21.272 11.792 -1.226 563 1HD PRO 73 1HD PRO 73 -19.331 9.921 -2.105 564 2HD PRO 73 2HD PRO 73 -19.001 11.491 -1.341 565 H GLY 74 H GLY 74 -19.802 7.621 2.579 566 1HA GLY 74 1HA GLY 74 -20.386 5.348 2.696 567 2HA GLY 74 2HA GLY 74 -21.583 5.661 1.439 568 H ASN 75 H ASN 75 -18.083 6.226 1.179 569 HA ASN 75 HA ASN 75 -17.219 3.888 -0.037 570 1HB ASN 75 1HB ASN 75 -17.506 4.657 -2.531 571 2HB ASN 75 2HB ASN 75 -18.846 3.841 -1.723 572 1HD2 ASN 75 2HD2 ASN 75 -20.070 5.149 -3.512 573 2HD2 ASN 75 1HD2 ASN 75 -20.566 6.719 -3.096 574 H VAL 76 H VAL 76 -15.277 4.207 -1.411 575 HA VAL 76 HA VAL 76 -14.154 6.957 -1.366 576 HB VAL 76 HB VAL 76 -12.049 6.130 -0.380 577 1HG1 VAL 76 1HG1 VAL 76 -14.546 6.424 0.957 578 2HG1 VAL 76 2HG1 VAL 76 -13.684 5.102 1.742 579 3HG1 VAL 76 3HG1 VAL 76 -12.931 6.692 1.611 580 1HG2 VAL 76 1HG2 VAL 76 -12.872 3.668 -1.197 581 2HG2 VAL 76 2HG2 VAL 76 -11.629 3.919 0.029 582 3HG2 VAL 76 3HG2 VAL 76 -13.293 3.591 0.514 583 H THR 77 H THR 77 -12.146 7.063 -2.750 584 HA THR 77 HA THR 77 -11.619 4.805 -4.533 585 HB THR 77 HB THR 77 -13.005 7.293 -5.573 586 HG1 THR 77 HG1 THR 77 -14.491 5.731 -6.304 587 1HG2 THR 77 1HG2 THR 77 -11.036 6.477 -6.959 588 2HG2 THR 77 2HG2 THR 77 -11.926 4.971 -7.182 589 3HG2 THR 77 3HG2 THR 77 -12.592 6.486 -7.791 590 H VAL 78 H VAL 78 -9.531 4.941 -5.232 591 HA VAL 78 HA VAL 78 -8.214 7.624 -5.145 592 HB VAL 78 HB VAL 78 -6.274 6.699 -4.125 593 1HG1 VAL 78 1HG1 VAL 78 -8.670 6.700 -2.830 594 2HG1 VAL 78 2HG1 VAL 78 -8.183 5.019 -2.608 595 3HG1 VAL 78 3HG1 VAL 78 -7.135 6.322 -2.046 596 1HG2 VAL 78 1HG2 VAL 78 -7.245 4.261 -5.369 597 2HG2 VAL 78 2HG2 VAL 78 -5.623 4.642 -4.792 598 3HG2 VAL 78 3HG2 VAL 78 -6.820 3.975 -3.681 599 H LEU 79 H LEU 79 -6.467 7.879 -6.703 600 HA LEU 79 HA LEU 79 -6.685 5.934 -8.965 601 1HB LEU 79 1HB LEU 79 -6.606 8.872 -8.830 602 2HB LEU 79 2HB LEU 79 -5.511 8.185 -10.030 603 HG LEU 79 HG LEU 79 -7.587 6.702 -10.662 604 1HD1 LEU 79 1HD1 LEU 79 -8.672 8.360 -8.633 605 2HD1 LEU 79 2HD1 LEU 79 -9.375 8.902 -10.156 606 3HD1 LEU 79 3HD1 LEU 79 -9.535 7.217 -9.661 607 1HD2 LEU 79 1HD2 LEU 79 -6.421 8.924 -11.746 608 2HD2 LEU 79 2HD2 LEU 79 -7.763 8.056 -12.493 609 3HD2 LEU 79 3HD2 LEU 79 -8.075 9.493 -11.519 610 H ALA 80 H ALA 80 -4.910 4.702 -9.267 611 HA ALA 80 HA ALA 80 -2.240 5.870 -8.620 612 1HB ALA 80 1HB ALA 80 -3.239 3.100 -7.887 613 2HB ALA 80 2HB ALA 80 -1.563 3.627 -7.740 614 3HB ALA 80 3HB ALA 80 -2.817 4.393 -6.764 615 H ASP 81 H ASP 81 -0.465 4.498 -9.707 616 HA ASP 81 HA ASP 81 -1.505 3.366 -12.273 617 1HB ASP 81 1HB ASP 81 0.354 5.572 -11.799 618 2HB ASP 81 2HB ASP 81 1.034 4.331 -12.853 619 H THR 82 H THR 82 0.587 2.981 -9.554 620 HA THR 82 HA THR 82 1.882 0.647 -10.899 621 HB THR 82 HB THR 82 2.799 2.393 -8.603 622 HG1 THR 82 HG1 THR 82 4.405 2.901 -10.000 623 1HG2 THR 82 1HG2 THR 82 3.356 -0.407 -9.153 624 2HG2 THR 82 2HG2 THR 82 4.822 0.571 -9.224 625 3HG2 THR 82 3HG2 THR 82 3.829 0.575 -7.767 626 H ALA 83 H ALA 83 1.754 -1.364 -9.902 627 HA ALA 83 HA ALA 83 0.511 -1.591 -7.234 628 1HB ALA 83 1HB ALA 83 -1.195 -1.628 -9.332 629 2HB ALA 83 2HB ALA 83 -0.725 -3.326 -9.308 630 3HB ALA 83 3HB ALA 83 -1.450 -2.592 -7.878 631 H ILE 84 H ILE 84 1.410 -3.321 -6.164 632 HA ILE 84 HA ILE 84 2.987 -5.244 -7.811 633 HB ILE 84 HB ILE 84 3.440 -4.270 -4.983 634 1HG1 ILE 84 1HG1 ILE 84 5.044 -3.966 -7.543 635 2HG1 ILE 84 2HG1 ILE 84 4.134 -2.686 -6.740 636 1HG2 ILE 84 1HG2 ILE 84 4.956 -6.312 -6.628 637 2HG2 ILE 84 2HG2 ILE 84 5.461 -5.692 -5.055 638 3HG2 ILE 84 3HG2 ILE 84 3.987 -6.649 -5.194 639 1HD1 ILE 84 1HD1 ILE 84 5.716 -3.706 -4.704 640 2HD1 ILE 84 2HD1 ILE 84 6.782 -3.758 -6.108 641 3HD1 ILE 84 3HD1 ILE 84 6.043 -2.233 -5.616 642 H ARG 85 H ARG 85 0.915 -4.889 -4.958 643 HA ARG 85 HA ARG 85 -0.566 -6.436 -3.981 644 1HB ARG 85 1HB ARG 85 -0.799 -7.047 -6.545 645 2HB ARG 85 2HB ARG 85 0.109 -8.483 -6.069 646 1HG ARG 85 1HG ARG 85 -1.636 -9.350 -4.894 647 2HG ARG 85 2HG ARG 85 -2.108 -7.776 -4.253 648 1HD ARG 85 1HD ARG 85 -3.879 -8.505 -5.714 649 2HD ARG 85 2HD ARG 85 -3.013 -7.215 -6.548 650 HE ARG 85 HE ARG 85 -2.146 -9.976 -7.150 651 1HH1 ARG 85 1HH2 ARG 85 -5.013 -8.851 -7.985 652 2HH1 ARG 85 2HH2 ARG 85 -4.686 -8.517 -9.653 653 1HH2 ARG 85 1HH1 ARG 85 -1.249 -8.817 -9.315 654 2HH2 ARG 85 2HH1 ARG 85 -2.557 -8.499 -10.405 655 H GLY 86 H GLY 86 -0.157 -7.778 -2.264 656 1HA GLY 86 1HA GLY 86 2.349 -8.446 -1.347 657 2HA GLY 86 2HA GLY 86 0.934 -9.431 -0.972 658 H GLN 87 H GLN 87 0.384 -10.394 -3.590 659 HA GLN 87 HA GLN 87 2.322 -12.550 -3.734 660 1HB GLN 87 1HB GLN 87 0.300 -11.919 -5.880 661 2HB GLN 87 2HB GLN 87 0.905 -13.495 -5.368 662 1HG GLN 87 1HG GLN 87 -0.159 -12.904 -3.068 663 2HG GLN 87 2HG GLN 87 -1.066 -11.694 -3.975 664 1HE2 GLN 87 2HE2 GLN 87 -1.962 -14.332 -2.687 665 2HE2 GLN 87 1HE2 GLN 87 -2.749 -15.161 -3.941 666 H ASP 88 H ASP 88 1.330 -10.153 -6.211 667 HA ASP 88 HA ASP 88 2.588 -9.119 -7.898 668 1HB ASP 88 1HB ASP 88 3.996 -8.298 -6.085 669 2HB ASP 88 2HB ASP 88 4.859 -9.835 -6.019 670 H LEU 89 H LEU 89 2.345 -12.254 -7.516 671 HA LEU 89 HA LEU 89 2.959 -14.125 -8.792 672 1HB LEU 89 1HB LEU 89 2.570 -12.047 -10.551 673 2HB LEU 89 2HB LEU 89 4.209 -12.560 -10.952 674 HG LEU 89 HG LEU 89 3.260 -14.960 -10.952 675 1HD1 LEU 89 1HD1 LEU 89 1.016 -13.724 -9.985 676 2HD1 LEU 89 2HD1 LEU 89 0.633 -13.835 -11.703 677 3HD1 LEU 89 3HD1 LEU 89 1.012 -15.293 -10.788 678 1HD2 LEU 89 1HD2 LEU 89 3.908 -13.672 -12.987 679 2HD2 LEU 89 2HD2 LEU 89 2.530 -14.732 -13.280 680 3HD2 LEU 89 3HD2 LEU 89 2.279 -13.001 -13.054 681 H ASP 90 H ASP 90 4.848 -13.175 -6.861 682 HA ASP 90 HA ASP 90 7.153 -14.664 -7.559 683 1HB ASP 90 1HB ASP 90 7.148 -12.239 -8.911 684 2HB ASP 90 2HB ASP 90 8.154 -11.910 -7.500 685 H GLU 91 H GLU 91 8.830 -14.492 -5.852 686 HA GLU 91 HA GLU 91 8.187 -12.783 -3.538 687 1HB GLU 91 1HB GLU 91 6.740 -14.602 -3.001 688 2HB GLU 91 2HB GLU 91 7.935 -15.797 -3.505 689 1HG GLU 91 1HG GLU 91 8.899 -13.967 -1.411 690 2HG GLU 91 2HG GLU 91 7.542 -14.976 -0.909 691 H ALA 92 H ALA 92 10.146 -15.585 -4.607 692 HA ALA 92 HA ALA 92 12.340 -14.994 -2.839 693 1HB ALA 92 1HB ALA 92 11.851 -16.805 -5.145 694 2HB ALA 92 2HB ALA 92 13.536 -16.410 -4.801 695 3HB ALA 92 3HB ALA 92 12.535 -17.161 -3.558 696 H ARG 93 H ARG 93 11.526 -13.963 -6.116 697 HA ARG 93 HA ARG 93 14.144 -12.755 -6.580 698 1HB ARG 93 1HB ARG 93 12.533 -13.603 -8.379 699 2HB ARG 93 2HB ARG 93 11.590 -12.141 -8.077 700 1HG ARG 93 1HG ARG 93 14.104 -11.097 -8.314 701 2HG ARG 93 2HG ARG 93 14.193 -12.453 -9.439 702 1HD ARG 93 1HD ARG 93 13.388 -10.444 -10.601 703 2HD ARG 93 2HD ARG 93 12.114 -11.661 -10.535 704 HE ARG 93 HE ARG 93 12.200 -9.424 -8.555 705 1HH1 ARG 93 1HH2 ARG 93 10.867 -9.852 -11.512 706 2HH1 ARG 93 2HH2 ARG 93 9.209 -9.833 -11.009 707 1HH2 ARG 93 1HH1 ARG 93 9.956 -10.055 -7.630 708 2HH2 ARG 93 2HH1 ARG 93 8.694 -9.948 -8.811 709 H ALA 94 H ALA 94 11.259 -11.821 -4.956 710 HA ALA 94 HA ALA 94 11.839 -8.932 -5.212 711 1HB ALA 94 1HB ALA 94 9.538 -10.539 -4.525 712 2HB ALA 94 2HB ALA 94 9.852 -9.363 -3.250 713 3HB ALA 94 3HB ALA 94 9.610 -8.820 -4.909 714 H MET 95 H MET 95 12.729 -11.539 -3.230 715 HA MET 95 HA MET 95 13.026 -10.040 -0.748 716 1HB MET 95 1HB MET 95 13.334 -12.777 -1.638 717 2HB MET 95 2HB MET 95 14.739 -12.277 -0.698 718 1HG MET 95 1HG MET 95 12.877 -11.256 0.900 719 2HG MET 95 2HG MET 95 11.875 -12.494 0.140 720 1HE MET 95 1HE MET 95 11.551 -12.896 2.469 721 2HE MET 95 2HE MET 95 11.677 -14.628 2.171 722 3HE MET 95 3HE MET 95 12.544 -13.895 3.527 723 H GLU 96 H GLU 96 14.935 -10.582 -3.608 724 HA GLU 96 HA GLU 96 17.466 -9.814 -2.365 725 1HB GLU 96 1HB GLU 96 16.525 -10.583 -5.071 726 2HB GLU 96 2HB GLU 96 17.911 -9.494 -5.022 727 1HG GLU 96 1HG GLU 96 18.696 -11.233 -3.132 728 2HG GLU 96 2HG GLU 96 17.685 -12.315 -4.091 729 H ALA 97 H ALA 97 14.731 -8.148 -3.566 730 HA ALA 97 HA ALA 97 15.918 -5.781 -4.608 731 1HB ALA 97 1HB ALA 97 13.344 -6.649 -4.218 732 2HB ALA 97 2HB ALA 97 13.477 -5.378 -3.003 733 3HB ALA 97 3HB ALA 97 13.780 -5.009 -4.700 734 H LYS 98 H LYS 98 15.122 -6.725 -1.279 735 HA LYS 98 HA LYS 98 15.555 -4.340 0.089 736 1HB LYS 98 1HB LYS 98 15.195 -6.926 0.848 737 2HB LYS 98 2HB LYS 98 16.891 -6.704 1.277 738 1HG LYS 98 1HG LYS 98 16.096 -4.487 2.377 739 2HG LYS 98 2HG LYS 98 14.484 -5.201 2.289 740 1HD LYS 98 1HD LYS 98 15.407 -5.765 4.448 741 2HD LYS 98 2HD LYS 98 15.409 -7.232 3.468 742 1HE LYS 98 1HE LYS 98 17.650 -7.398 3.600 743 2HE LYS 98 2HE LYS 98 17.854 -5.733 3.055 744 1HZ LYS 98 1HZ LYS 98 17.240 -5.073 5.388 745 2HZ LYS 98 2HZ LYS 98 17.427 -6.706 5.820 746 3HZ LYS 98 3HZ LYS 98 18.749 -5.835 5.211 747 H ARG 99 H ARG 99 17.986 -6.536 -1.267 748 HA ARG 99 HA ARG 99 20.233 -5.078 -0.138 749 1HB ARG 99 1HB ARG 99 19.887 -7.538 -1.403 750 2HB ARG 99 2HB ARG 99 20.825 -6.595 -2.561 751 1HG ARG 99 1HG ARG 99 22.652 -7.039 -1.321 752 2HG ARG 99 2HG ARG 99 21.963 -6.014 -0.062 753 1HD ARG 99 1HD ARG 99 20.902 -7.887 1.002 754 2HD ARG 99 2HD ARG 99 21.265 -8.943 -0.363 755 HE ARG 99 HE ARG 99 23.678 -7.837 0.802 756 1HH1 ARG 99 1HH1 ARG 99 21.992 -10.633 0.117 757 2HH1 ARG 99 2HH1 ARG 99 22.633 -11.565 1.428 758 1HH2 ARG 99 1HH2 ARG 99 24.188 -8.860 2.938 759 2HH2 ARG 99 2HH2 ARG 99 23.875 -10.561 3.025 760 H LYS 100 H LYS 100 18.848 -5.296 -3.434 761 HA LYS 100 HA LYS 100 20.569 -3.405 -4.654 762 1HB LYS 100 1HB LYS 100 17.962 -4.626 -5.257 763 2HB LYS 100 2HB LYS 100 18.165 -3.015 -5.945 764 1HG LYS 100 1HG LYS 100 20.611 -4.464 -6.304 765 2HG LYS 100 2HG LYS 100 19.278 -5.467 -6.879 766 1HD LYS 100 1HD LYS 100 18.612 -2.961 -7.843 767 2HD LYS 100 2HD LYS 100 20.368 -2.990 -8.009 768 1HE LYS 100 1HE LYS 100 18.736 -5.356 -8.894 769 2HE LYS 100 2HE LYS 100 18.901 -3.953 -9.949 770 1HZ LYS 100 1HZ LYS 100 21.430 -4.499 -8.981 771 2HZ LYS 100 2HZ LYS 100 20.776 -6.003 -9.409 772 3HZ LYS 100 3HZ LYS 100 20.856 -4.755 -10.559 773 H ALA 101 H ALA 101 18.083 -2.932 -2.319 774 HA ALA 101 HA ALA 101 17.704 -0.089 -3.027 775 1HB ALA 101 1HB ALA 101 16.549 -1.893 -0.893 776 2HB ALA 101 2HB ALA 101 16.272 -0.151 -0.892 777 3HB ALA 101 3HB ALA 101 15.713 -1.132 -2.247 778 H GLU 102 H GLU 102 19.399 -2.062 -0.647 779 HA GLU 102 HA GLU 102 20.120 0.172 1.061 780 1HB GLU 102 1HB GLU 102 20.101 -2.102 1.954 781 2HB GLU 102 2HB GLU 102 21.322 -2.599 0.782 782 1HG GLU 102 1HG GLU 102 22.458 -2.166 2.866 783 2HG GLU 102 2HG GLU 102 22.853 -0.847 1.763 784 H GLU 103 H GLU 103 21.457 -1.279 -1.829 785 HA GLU 103 HA GLU 103 24.096 -0.110 -1.556 786 1HB GLU 103 1HB GLU 103 22.875 -1.944 -3.284 787 2HB GLU 103 2HB GLU 103 23.269 -0.563 -4.310 788 1HG GLU 103 1HG GLU 103 25.522 -0.847 -2.703 789 2HG GLU 103 2HG GLU 103 25.053 -2.510 -3.059 790 H HIS 104 H HIS 104 21.053 0.914 -3.041 791 HA HIS 104 HA HIS 104 22.294 3.308 -4.208 792 1HB HIS 104 1HB HIS 104 19.884 1.857 -4.605 793 2HB HIS 104 2HB HIS 104 19.427 3.481 -4.091 794 HD1 HIS 104 HD1 HIS 104 19.755 5.368 -5.753 795 HD2 HIS 104 HD2 HIS 104 21.588 1.832 -6.985 796 HE1 HIS 104 HE1 HIS 104 20.542 5.760 -8.127 797 H ILE 105 H ILE 105 21.577 2.493 -1.119 798 HA ILE 105 HA ILE 105 20.127 4.811 -0.194 799 HB ILE 105 HB ILE 105 20.456 2.580 1.026 800 1HG1 ILE 105 1HG1 ILE 105 20.927 4.003 3.270 801 2HG1 ILE 105 2HG1 ILE 105 20.606 5.330 2.154 802 1HG2 ILE 105 1HG2 ILE 105 23.041 2.847 0.661 803 2HG2 ILE 105 2HG2 ILE 105 22.958 3.839 2.117 804 3HG2 ILE 105 3HG2 ILE 105 22.450 2.151 2.170 805 1HD1 ILE 105 1HD1 ILE 105 18.772 2.937 2.335 806 2HD1 ILE 105 2HD1 ILE 105 18.577 4.335 3.392 807 3HD1 ILE 105 3HD1 ILE 105 18.432 4.523 1.644 808 H SER 106 H SER 106 23.404 4.266 -1.117 809 HA SER 106 HA SER 106 24.407 6.604 0.382 810 1HB SER 106 1HB SER 106 26.533 5.867 -0.161 811 2HB SER 106 2HB SER 106 25.659 4.340 -0.238 812 HG SER 106 HG SER 106 26.812 5.838 -2.234 813 H SER 107 H SER 107 23.396 5.743 -2.869 814 HA SER 107 HA SER 107 24.559 7.925 -4.281 815 1HB SER 107 1HB SER 107 21.824 6.897 -4.978 816 2HB SER 107 2HB SER 107 23.145 7.349 -6.048 817 HG SER 107 HG SER 107 24.277 5.500 -5.165 818 H SER 108 H SER 108 24.354 9.839 -3.033 819 HA SER 108 HA SER 108 21.827 11.253 -3.384 820 1HB SER 108 1HB SER 108 22.775 10.803 -0.545 821 2HB SER 108 2HB SER 108 21.298 11.607 -1.065 822 HG SER 108 HG SER 108 20.437 9.697 -1.610 823 H HIS 109 H HIS 109 22.532 13.091 -1.122 824 HA HIS 109 HA HIS 109 25.158 14.140 -2.047 825 1HB HIS 109 1HB HIS 109 22.821 15.190 -3.039 826 2HB HIS 109 2HB HIS 109 23.113 16.222 -1.638 827 HD1 HIS 109 HD1 HIS 109 23.493 17.824 -4.005 828 HD2 HIS 109 HD2 HIS 109 26.536 15.265 -2.751 829 HE1 HIS 109 HE1 HIS 109 25.627 18.670 -5.074 830 H GLY 110 H GLY 110 24.627 16.659 -0.567 831 1HA GLY 110 1HA GLY 110 25.571 15.808 2.016 832 2HA GLY 110 2HA GLY 110 25.087 17.452 1.596 833 H ASP 111 H ASP 111 22.703 17.880 1.562 834 HA ASP 111 HA ASP 111 21.459 16.678 3.923 835 1HB ASP 111 1HB ASP 111 20.932 18.984 2.136 836 2HB ASP 111 2HB ASP 111 19.506 18.240 2.861 837 H VAL 112 H VAL 112 18.957 16.180 3.608 838 HA VAL 112 HA VAL 112 17.553 14.425 2.876 839 HB VAL 112 HB VAL 112 16.749 14.779 0.623 840 1HG1 VAL 112 1HG1 VAL 112 16.384 16.571 2.402 841 2HG1 VAL 112 2HG1 VAL 112 17.678 17.479 1.622 842 3HG1 VAL 112 3HG1 VAL 112 16.203 17.106 0.731 843 1HG2 VAL 112 1HG2 VAL 112 19.143 14.873 -0.316 844 2HG2 VAL 112 2HG2 VAL 112 17.966 15.963 -1.051 845 3HG2 VAL 112 3HG2 VAL 112 19.127 16.581 0.124 846 H ASP 113 H ASP 113 20.358 13.683 3.095 847 HA ASP 113 HA ASP 113 20.935 12.010 0.752 848 1HB ASP 113 1HB ASP 113 22.781 13.058 1.962 849 2HB ASP 113 2HB ASP 113 22.284 12.263 3.456 850 H TYR 114 H TYR 114 21.487 10.657 3.920 851 HA TYR 114 HA TYR 114 20.105 8.219 3.244 852 1HB TYR 114 1HB TYR 114 20.853 9.192 6.020 853 2HB TYR 114 2HB TYR 114 20.600 7.523 5.509 854 HD1 TYR 114 HD1 TYR 114 21.995 7.814 2.776 855 HD2 TYR 114 HD2 TYR 114 23.137 8.950 6.758 856 HE1 TYR 114 HE1 TYR 114 24.386 7.647 2.138 857 HE2 TYR 114 HE2 TYR 114 25.527 8.783 6.120 858 HH TYR 114 HH TYR 114 26.816 7.356 4.187 859 H ALA 115 H ALA 115 19.135 11.254 4.485 860 HA ALA 115 HA ALA 115 16.817 10.480 5.986 861 1HB ALA 115 1HB ALA 115 18.067 12.917 5.025 862 2HB ALA 115 2HB ALA 115 16.316 12.990 4.813 863 3HB ALA 115 3HB ALA 115 16.998 12.691 6.412 864 H GLN 116 H GLN 116 17.316 11.346 2.568 865 HA GLN 116 HA GLN 116 14.477 10.814 1.965 866 1HB GLN 116 1HB GLN 116 16.823 11.925 0.481 867 2HB GLN 116 2HB GLN 116 15.529 11.183 -0.462 868 1HG GLN 116 1HG GLN 116 13.917 12.633 0.919 869 2HG GLN 116 2HG GLN 116 15.348 13.532 1.426 870 1HE2 GLN 116 2HE2 GLN 116 14.441 15.422 0.210 871 2HE2 GLN 116 1HE2 GLN 116 14.609 15.486 -1.478 872 H ALA 117 H ALA 117 17.459 9.115 2.043 873 HA ALA 117 HA ALA 117 16.847 7.164 -0.013 874 1HB ALA 117 1HB ALA 117 19.137 7.773 1.155 875 2HB ALA 117 2HB ALA 117 18.638 6.540 2.313 876 3HB ALA 117 3HB ALA 117 18.834 6.124 0.610 877 H SER 118 H SER 118 16.051 7.516 3.377 878 HA SER 118 HA SER 118 15.388 4.813 3.977 879 1HB SER 118 1HB SER 118 15.501 6.636 5.672 880 2HB SER 118 2HB SER 118 14.028 7.327 4.995 881 HG SER 118 HG SER 118 13.150 6.029 6.423 882 H ALA 119 H ALA 119 13.903 7.064 1.858 883 HA ALA 119 HA ALA 119 11.237 5.853 1.967 884 1HB ALA 119 1HB ALA 119 12.500 8.154 0.683 885 2HB ALA 119 2HB ALA 119 11.424 7.289 -0.414 886 3HB ALA 119 3HB ALA 119 10.809 7.906 1.118 887 H GLU 120 H GLU 120 13.681 6.119 -0.645 888 HA GLU 120 HA GLU 120 12.480 4.019 -2.213 889 1HB GLU 120 1HB GLU 120 14.418 4.213 -3.631 890 2HB GLU 120 2HB GLU 120 14.017 5.840 -3.080 891 1HG GLU 120 1HG GLU 120 15.735 4.682 -1.127 892 2HG GLU 120 2HG GLU 120 16.464 4.398 -2.708 893 H LEU 121 H LEU 121 14.289 3.926 0.635 894 HA LEU 121 HA LEU 121 15.583 1.337 0.054 895 1HB LEU 121 1HB LEU 121 16.825 2.911 1.431 896 2HB LEU 121 2HB LEU 121 15.474 3.051 2.556 897 HG LEU 121 HG LEU 121 15.731 0.455 2.785 898 1HD1 LEU 121 1HD1 LEU 121 17.494 0.600 0.843 899 2HD1 LEU 121 2HD1 LEU 121 18.598 1.077 2.134 900 3HD1 LEU 121 3HD1 LEU 121 17.787 -0.488 2.199 901 1HD2 LEU 121 1HD2 LEU 121 16.573 2.608 4.271 902 2HD2 LEU 121 2HD2 LEU 121 16.695 0.927 4.792 903 3HD2 LEU 121 3HD2 LEU 121 18.080 1.721 4.041 904 H ALA 122 H ALA 122 13.351 2.508 2.605 905 HA ALA 122 HA ALA 122 12.487 -0.217 3.190 906 1HB ALA 122 1HB ALA 122 11.856 2.516 4.220 907 2HB ALA 122 2HB ALA 122 10.680 1.235 4.511 908 3HB ALA 122 3HB ALA 122 12.333 1.066 5.103 909 H LYS 123 H LYS 123 11.845 1.612 0.579 910 HA LYS 123 HA LYS 123 8.952 1.452 0.446 911 1HB LYS 123 1HB LYS 123 10.055 3.092 -0.928 912 2HB LYS 123 2HB LYS 123 11.084 1.864 -1.665 913 1HG LYS 123 1HG LYS 123 8.975 0.765 -2.541 914 2HG LYS 123 2HG LYS 123 8.092 2.190 -1.993 915 1HD LYS 123 1HD LYS 123 8.738 3.357 -3.808 916 2HD LYS 123 2HD LYS 123 10.433 2.986 -3.493 917 1HE LYS 123 1HE LYS 123 9.621 0.585 -4.428 918 2HE LYS 123 2HE LYS 123 8.505 1.632 -5.304 919 1HZ LYS 123 1HZ LYS 123 10.517 2.983 -5.914 920 2HZ LYS 123 2HZ LYS 123 11.465 1.708 -5.324 921 3HZ LYS 123 3HZ LYS 123 10.415 1.448 -6.635 922 H ALA 124 H ALA 124 11.610 -0.498 -0.932 923 HA ALA 124 HA ALA 124 9.835 -2.388 -2.211 924 1HB ALA 124 1HB ALA 124 12.760 -2.554 -1.436 925 2HB ALA 124 2HB ALA 124 11.921 -3.802 -2.358 926 3HB ALA 124 3HB ALA 124 12.100 -2.181 -3.029 927 H ILE 125 H ILE 125 10.527 -1.843 1.032 928 HA ILE 125 HA ILE 125 10.406 -4.659 1.864 929 HB ILE 125 HB ILE 125 10.557 -2.023 3.328 930 1HG1 ILE 125 1HG1 ILE 125 12.599 -3.224 4.271 931 2HG1 ILE 125 2HG1 ILE 125 12.299 -4.489 3.078 932 1HG2 ILE 125 1HG2 ILE 125 10.085 -4.779 4.510 933 2HG2 ILE 125 2HG2 ILE 125 10.570 -3.361 5.441 934 3HG2 ILE 125 3HG2 ILE 125 9.006 -3.388 4.627 935 1HD1 ILE 125 1HD1 ILE 125 12.304 -1.719 2.025 936 2HD1 ILE 125 2HD1 ILE 125 13.862 -2.322 2.593 937 3HD1 ILE 125 3HD1 ILE 125 12.988 -3.191 1.332 938 H ALA 126 H ALA 126 8.175 -2.196 1.057 939 HA ALA 126 HA ALA 126 6.022 -2.910 2.830 940 1HB ALA 126 1HB ALA 126 6.450 -1.036 0.753 941 2HB ALA 126 2HB ALA 126 5.059 -2.004 0.265 942 3HB ALA 126 3HB ALA 126 5.044 -1.156 1.811 943 H GLN 127 H GLN 127 7.161 -4.161 -0.256 944 HA GLN 127 HA GLN 127 4.825 -5.901 -0.602 945 1HB GLN 127 1HB GLN 127 6.124 -6.809 -2.523 946 2HB GLN 127 2HB GLN 127 5.998 -5.050 -2.583 947 1HG GLN 127 1HG GLN 127 8.231 -4.770 -1.766 948 2HG GLN 127 2HG GLN 127 8.357 -6.475 -1.332 949 1HE2 GLN 127 2HE2 GLN 127 8.587 -4.188 -3.988 950 2HE2 GLN 127 1HE2 GLN 127 9.087 -5.310 -5.160 951 H LEU 128 H LEU 128 8.062 -6.100 0.733 952 HA LEU 128 HA LEU 128 8.108 -9.000 0.907 953 1HB LEU 128 1HB LEU 128 9.867 -6.780 1.584 954 2HB LEU 128 2HB LEU 128 9.840 -7.994 2.865 955 HG LEU 128 HG LEU 128 10.095 -8.866 0.001 956 1HD1 LEU 128 1HD1 LEU 128 11.953 -7.156 1.358 957 2HD1 LEU 128 2HD1 LEU 128 12.675 -8.757 1.206 958 3HD1 LEU 128 3HD1 LEU 128 12.115 -7.903 -0.231 959 1HD2 LEU 128 1HD2 LEU 128 9.779 -10.299 2.223 960 2HD2 LEU 128 2HD2 LEU 128 10.850 -10.851 0.933 961 3HD2 LEU 128 3HD2 LEU 128 11.520 -10.049 2.354 962 H ARG 129 H ARG 129 6.512 -6.544 2.645 963 HA ARG 129 HA ARG 129 6.386 -8.083 5.163 964 1HB ARG 129 1HB ARG 129 5.827 -5.342 4.319 965 2HB ARG 129 2HB ARG 129 4.536 -6.004 5.322 966 1HG ARG 129 1HG ARG 129 5.887 -6.205 7.171 967 2HG ARG 129 2HG ARG 129 7.333 -6.515 6.212 968 1HD ARG 129 1HD ARG 129 7.907 -4.366 6.602 969 2HD ARG 129 2HD ARG 129 6.603 -3.920 5.503 970 HE ARG 129 HE ARG 129 5.616 -4.377 8.188 971 1HH1 ARG 129 1HH1 ARG 129 8.025 -2.310 7.163 972 2HH1 ARG 129 2HH1 ARG 129 7.198 -0.844 7.570 973 1HH2 ARG 129 1HH2 ARG 129 4.191 -2.423 8.268 974 2HH2 ARG 129 2HH2 ARG 129 5.026 -0.908 8.193 975 H VAL 130 H VAL 130 4.044 -6.830 2.762 976 HA VAL 130 HA VAL 130 1.837 -8.346 3.812 977 HB VAL 130 HB VAL 130 0.732 -7.768 1.664 978 1HG1 VAL 130 1HG1 VAL 130 1.524 -6.072 3.685 979 2HG1 VAL 130 2HG1 VAL 130 2.101 -5.232 2.245 980 3HG1 VAL 130 3HG1 VAL 130 0.393 -5.649 2.399 981 1HG2 VAL 130 1HG2 VAL 130 3.070 -7.996 0.461 982 2HG2 VAL 130 2HG2 VAL 130 1.879 -6.843 -0.144 983 3HG2 VAL 130 3HG2 VAL 130 3.216 -6.284 0.861 984 H ILE 131 H ILE 131 4.393 -9.080 1.535 985 HA ILE 131 HA ILE 131 3.159 -11.344 0.280 986 HB ILE 131 HB ILE 131 5.269 -10.141 -0.476 987 1HG1 ILE 131 1HG1 ILE 131 5.204 -13.156 -0.178 988 2HG1 ILE 131 2HG1 ILE 131 4.665 -12.202 -1.560 989 1HG2 ILE 131 1HG2 ILE 131 6.274 -10.280 1.880 990 2HG2 ILE 131 2HG2 ILE 131 6.630 -11.968 1.515 991 3HG2 ILE 131 3HG2 ILE 131 7.355 -10.685 0.546 992 1HD1 ILE 131 1HD1 ILE 131 7.197 -11.337 -1.454 993 2HD1 ILE 131 2HD1 ILE 131 7.434 -12.921 -0.717 994 3HD1 ILE 131 3HD1 ILE 131 6.749 -12.797 -2.337 995 H GLU 132 H GLU 132 5.088 -10.998 3.243 996 HA GLU 132 HA GLU 132 5.315 -13.818 3.767 997 1HB GLU 132 1HB GLU 132 5.277 -11.586 5.816 998 2HB GLU 132 2HB GLU 132 6.019 -13.177 5.986 999 1HG GLU 132 1HG GLU 132 6.861 -11.369 3.736 1000 2HG GLU 132 2HG GLU 132 7.529 -11.133 5.352 1001 H LEU 133 H LEU 133 2.625 -11.790 3.771 1002 HA LEU 133 HA LEU 133 1.217 -13.159 5.964 1003 1HB LEU 133 1HB LEU 133 0.790 -10.786 4.300 1004 2HB LEU 133 2HB LEU 133 -0.682 -11.728 4.539 1005 HG LEU 133 HG LEU 133 0.880 -11.482 6.995 1006 1HD1 LEU 133 1HD1 LEU 133 0.941 -9.196 5.410 1007 2HD1 LEU 133 2HD1 LEU 133 -0.424 -8.914 6.490 1008 3HD1 LEU 133 3HD1 LEU 133 1.175 -9.247 7.158 1009 1HD2 LEU 133 1HD2 LEU 133 -1.498 -12.241 6.775 1010 2HD2 LEU 133 2HD2 LEU 133 -1.308 -10.894 7.897 1011 3HD2 LEU 133 3HD2 LEU 133 -1.936 -10.609 6.273 1012 H THR 134 H THR 134 1.029 -13.010 2.403 1013 HA THR 134 HA THR 134 -1.065 -15.062 2.341 1014 HB THR 134 HB THR 134 -0.837 -13.196 0.639 1015 HG1 THR 134 HG1 THR 134 -0.609 -15.572 -0.776 1016 1HG2 THR 134 1HG2 THR 134 1.691 -13.501 0.501 1017 2HG2 THR 134 2HG2 THR 134 1.371 -14.925 -0.490 1018 3HG2 THR 134 3HG2 THR 134 0.854 -13.331 -1.041 1019 H LYS 135 H LYS 135 2.297 -15.067 2.681 1020 HA LYS 135 HA LYS 135 3.144 -17.256 1.115 1021 1HB LYS 135 1HB LYS 135 4.024 -16.087 3.731 1022 2HB LYS 135 2HB LYS 135 4.695 -17.641 3.234 1023 1HG LYS 135 1HG LYS 135 4.644 -15.280 1.354 1024 2HG LYS 135 2HG LYS 135 5.967 -15.516 2.498 1025 1HD LYS 135 1HD LYS 135 5.355 -17.992 1.122 1026 2HD LYS 135 2HD LYS 135 5.702 -16.707 -0.035 1027 1HE LYS 135 1HE LYS 135 7.765 -17.901 0.656 1028 2HE LYS 135 2HE LYS 135 7.804 -16.200 1.124 1029 1HZ LYS 135 1HZ LYS 135 6.830 -17.021 3.315 1030 2HZ LYS 135 2HZ LYS 135 7.332 -18.568 2.823 1031 3HZ LYS 135 3HZ LYS 135 8.475 -17.331 3.023 1032 H LYS 136 H LYS 136 1.694 -17.268 4.383 1033 HA LYS 136 HA LYS 136 1.635 -20.210 4.389 1034 1HB LYS 136 1HB LYS 136 0.404 -19.837 6.586 1035 2HB LYS 136 2HB LYS 136 2.044 -19.193 6.521 1036 1HG LYS 136 1HG LYS 136 1.295 -16.972 6.293 1037 2HG LYS 136 2HG LYS 136 -0.313 -17.473 5.768 1038 1HD LYS 136 1HD LYS 136 0.445 -18.471 8.434 1039 2HD LYS 136 2HD LYS 136 0.315 -16.714 8.331 1040 1HE LYS 136 1HE LYS 136 -1.910 -17.434 6.956 1041 2HE LYS 136 2HE LYS 136 -1.794 -18.786 8.084 1042 1HZ LYS 136 1HZ LYS 136 -1.394 -16.111 9.173 1043 2HZ LYS 136 2HZ LYS 136 -2.974 -16.514 8.707 1044 3HZ LYS 136 3HZ LYS 136 -2.162 -17.463 9.860 1045 H ALA 137 H ALA 137 -0.396 -17.640 3.363 1046 HA ALA 137 HA ALA 137 -2.996 -18.484 3.783 1047 1HB ALA 137 1HB ALA 137 -2.253 -16.505 2.385 1048 2HB ALA 137 2HB ALA 137 -1.976 -17.634 1.060 1049 3HB ALA 137 3HB ALA 137 -3.602 -17.417 1.708 1050 H MET 138 H MET 138 -0.676 -19.851 1.470 1051 HA MET 138 HA MET 138 -2.631 -21.801 0.482 1052 1HB MET 138 1HB MET 138 0.257 -21.191 -0.055 1053 2HB MET 138 2HB MET 138 -0.387 -22.763 -0.530 1054 1HG MET 138 1HG MET 138 -1.762 -21.868 -2.140 1055 2HG MET 138 2HG MET 138 -2.013 -20.370 -1.243 1056 1HE MET 138 1HE MET 138 0.009 -22.577 -3.270 1057 2HE MET 138 2HE MET 138 1.149 -21.592 -4.198 1058 3HE MET 138 3HE MET 138 1.556 -22.113 -2.565
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