NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
14853 | 1x5i | 11112 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -27.189 17.974 25.690 2 HA2 GLY 1 1HA GLY 1 -26.002 18.512 23.733 3 HA3 GLY 1 2HA GLY 1 -26.703 16.955 23.316 4 H SER 2 H SER 2 -26.036 18.760 21.354 5 HA SER 2 HA SER 2 -28.691 19.575 20.375 6 HB2 SER 2 1HB SER 2 -26.127 21.107 20.424 7 HB3 SER 2 2HB SER 2 -27.216 21.340 19.057 8 HG SER 2 HG SER 2 -27.764 21.756 21.806 9 H SER 3 H SER 3 -29.085 17.911 19.008 10 HA SER 3 HA SER 3 -28.733 16.347 17.353 11 HB2 SER 3 1HB SER 3 -28.358 17.400 15.178 12 HB3 SER 3 2HB SER 3 -29.438 18.393 16.156 13 HG SER 3 HG SER 3 -27.778 19.806 16.543 14 H GLY 4 H GLY 4 -26.599 16.267 19.139 15 HA2 GLY 4 1HA GLY 4 -24.313 15.855 19.314 16 HA3 GLY 4 2HA GLY 4 -24.730 14.702 18.055 17 H SER 5 H SER 5 -22.990 14.769 16.751 18 HA SER 5 HA SER 5 -22.619 17.069 15.089 19 HB2 SER 5 1HB SER 5 -20.578 16.400 17.196 20 HB3 SER 5 2HB SER 5 -20.097 17.170 15.684 21 HG SER 5 HG SER 5 -22.056 18.612 16.392 22 H SER 6 H SER 6 -20.535 16.668 13.674 23 HA SER 6 HA SER 6 -19.905 13.882 13.256 24 HB2 SER 6 1HB SER 6 -22.149 14.352 12.086 25 HB3 SER 6 2HB SER 6 -21.210 15.326 10.954 26 HG SER 6 HG SER 6 -21.599 12.785 10.792 27 H GLY 7 H GLY 7 -18.594 13.731 11.064 28 HA2 GLY 7 1HA GLY 7 -17.017 16.166 10.640 29 HA3 GLY 7 2HA GLY 7 -16.177 14.727 11.196 30 HA PRO 8 HA PRO 8 -17.810 14.028 6.657 31 HB2 PRO 8 1HB PRO 8 -18.057 16.325 5.231 32 HB3 PRO 8 2HB PRO 8 -19.397 15.602 6.128 33 HG2 PRO 8 1HG PRO 8 -17.600 17.867 6.906 34 HG3 PRO 8 2HG PRO 8 -19.357 17.718 7.094 35 HD2 PRO 8 1HD PRO 8 -17.632 17.287 9.136 36 HD3 PRO 8 2HD PRO 8 -19.171 16.414 8.986 37 H ALA 9 H ALA 9 -16.483 13.838 4.822 38 HA ALA 9 HA ALA 9 -14.191 15.528 4.450 39 HB1 ALA 9 1HB ALA 9 -13.270 14.250 6.237 40 HB2 ALA 9 2HB ALA 9 -13.817 12.736 5.516 41 HB3 ALA 9 3HB ALA 9 -12.537 13.670 4.741 42 H THR 10 H THR 10 -13.270 15.291 2.435 43 HA THR 10 HA THR 10 -13.622 13.038 0.762 44 HB THR 10 HB THR 10 -15.948 13.782 0.658 45 HG1 THR 10 1HG THR 10 -14.498 13.186 -1.333 46 HG21 THR 10 1HG2 THR 10 -15.300 16.230 1.094 47 HG22 THR 10 2HG2 THR 10 -16.627 15.919 -0.025 48 HG23 THR 10 3HG2 THR 10 -15.028 16.327 -0.645 49 H ASP 11 H ASP 11 -12.221 13.116 -0.913 50 HA ASP 11 HA ASP 11 -11.399 15.476 -2.229 51 HB2 ASP 11 1HB ASP 11 -10.245 15.485 0.155 52 HB3 ASP 11 2HB ASP 11 -9.128 14.374 -0.633 53 H TRP 12 H TRP 12 -9.694 15.073 -3.818 54 HA TRP 12 HA TRP 12 -9.723 12.263 -4.655 55 HB2 TRP 12 1HB TRP 12 -9.496 12.985 -6.855 56 HB3 TRP 12 2HB TRP 12 -10.475 14.265 -6.144 57 HD1 TRP 12 HD TRP 12 -8.138 15.927 -4.750 58 HE1 TRP 12 1HE TRP 12 -6.501 17.269 -6.215 59 HE3 TRP 12 3HE TRP 12 -8.788 13.448 -9.174 60 HZ2 TRP 12 2HZ TRP 12 -5.605 17.276 -8.891 61 HZ3 TRP 12 3HZ TRP 12 -7.503 14.186 -11.139 62 HH2 TRP 12 HH TRP 12 -5.946 16.060 -10.998 63 H LEU 13 H LEU 13 -7.788 11.293 -5.515 64 HA LEU 13 HA LEU 13 -5.266 12.562 -4.756 65 HB2 LEU 13 1HB LEU 13 -4.484 10.706 -3.512 66 HB3 LEU 13 2HB LEU 13 -6.066 11.136 -2.866 67 HG LEU 13 HG LEU 13 -6.056 8.801 -2.895 68 HD11 LEU 13 1HD1 LEU 13 -7.317 9.436 -5.548 69 HD12 LEU 13 2HD1 LEU 13 -8.030 9.925 -4.011 70 HD13 LEU 13 3HD1 LEU 13 -7.797 8.214 -4.370 71 HD21 LEU 13 1HD2 LEU 13 -5.268 8.559 -5.753 72 HD22 LEU 13 2HD2 LEU 13 -5.023 7.439 -4.413 73 HD23 LEU 13 3HD2 LEU 13 -4.012 8.878 -4.557 74 H SER 14 H SER 14 -3.373 11.159 -5.520 75 HA SER 14 HA SER 14 -4.063 9.992 -8.137 76 HB2 SER 14 1HB SER 14 -2.706 12.214 -7.993 77 HB3 SER 14 2HB SER 14 -1.364 11.166 -7.538 78 HG SER 14 HG SER 14 -1.537 11.577 -9.825 79 H ALA 15 H ALA 15 -4.191 7.866 -7.457 80 HA ALA 15 HA ALA 15 -1.786 6.402 -7.385 81 HB1 ALA 15 1HB ALA 15 -1.413 5.894 -5.205 82 HB2 ALA 15 2HB ALA 15 -2.120 7.494 -4.979 83 HB3 ALA 15 3HB ALA 15 -3.112 6.053 -4.760 84 H GLU 16 H GLU 16 -2.148 4.075 -7.134 85 HA GLU 16 HA GLU 16 -4.464 3.222 -8.485 86 HB2 GLU 16 1HB GLU 16 -3.618 1.022 -8.274 87 HB3 GLU 16 2HB GLU 16 -2.210 2.065 -8.411 88 HG2 GLU 16 1HG GLU 16 -2.120 2.022 -5.875 89 HG3 GLU 16 2HG GLU 16 -3.281 0.699 -5.967 90 H THR 17 H THR 17 -5.670 1.181 -7.471 91 HA THR 17 HA THR 17 -6.973 2.213 -5.061 92 HB THR 17 HB THR 17 -7.916 -0.062 -6.809 93 HG1 THR 17 1HG THR 17 -8.117 1.553 -8.207 94 HG21 THR 17 1HG2 THR 17 -9.899 1.582 -5.461 95 HG22 THR 17 2HG2 THR 17 -8.784 0.814 -4.330 96 HG23 THR 17 3HG2 THR 17 -9.704 -0.170 -5.468 97 H PHE 18 H PHE 18 -4.529 1.160 -4.492 98 HA PHE 18 HA PHE 18 -3.386 -0.582 -3.485 99 HB2 PHE 18 1HB PHE 18 -4.594 0.656 -1.689 100 HB3 PHE 18 2HB PHE 18 -5.904 -0.514 -1.811 101 HD1 PHE 18 2HD PHE 18 -2.226 -0.354 -1.246 102 HD2 PHE 18 1HD PHE 18 -5.893 -2.354 -0.428 103 HE1 PHE 18 2HE PHE 18 -1.069 -1.809 0.366 104 HE2 PHE 18 1HE PHE 18 -4.742 -3.812 1.186 105 HZ PHE 18 HZ PHE 18 -2.327 -3.541 1.584 106 H GLU 19 H GLU 19 -4.591 -1.632 -5.714 107 HA GLU 19 HA GLU 19 -6.369 -3.695 -5.505 108 HB2 GLU 19 1HB GLU 19 -4.967 -2.788 -7.536 109 HB3 GLU 19 2HB GLU 19 -3.897 -4.123 -7.134 110 HG2 GLU 19 1HG GLU 19 -5.260 -5.087 -8.699 111 HG3 GLU 19 2HG GLU 19 -6.077 -5.538 -7.203 112 H SER 20 H SER 20 -6.447 -5.594 -4.498 113 HA SER 20 HA SER 20 -4.356 -6.410 -2.752 114 HB2 SER 20 1HB SER 20 -5.803 -8.276 -2.183 115 HB3 SER 20 2HB SER 20 -6.775 -6.809 -2.305 116 HG SER 20 HG SER 20 -6.491 -8.331 -4.616 117 H ASP 21 H ASP 21 -5.068 -7.040 -6.039 118 HA ASP 21 HA ASP 21 -4.017 -9.593 -6.407 119 HB2 ASP 21 1HB ASP 21 -5.044 -8.821 -8.314 120 HB3 ASP 21 2HB ASP 21 -4.377 -7.200 -8.145 121 H LEU 22 H LEU 22 -2.394 -6.457 -6.286 122 HA LEU 22 HA LEU 22 0.109 -6.955 -7.150 123 HB2 LEU 22 1HB LEU 22 -0.608 -5.546 -4.583 124 HB3 LEU 22 2HB LEU 22 0.945 -5.420 -5.408 125 HG LEU 22 HG LEU 22 -1.636 -4.598 -6.716 126 HD11 LEU 22 1HD1 LEU 22 -1.612 -3.211 -4.835 127 HD12 LEU 22 2HD1 LEU 22 -0.836 -2.253 -6.096 128 HD13 LEU 22 3HD1 LEU 22 0.144 -3.048 -4.864 129 HD21 LEU 22 1HD2 LEU 22 0.726 -5.020 -7.858 130 HD22 LEU 22 2HD2 LEU 22 1.007 -3.376 -7.284 131 HD23 LEU 22 3HD2 LEU 22 -0.345 -3.715 -8.366 132 H ASP 23 H ASP 23 2.050 -7.774 -6.300 133 HA ASP 23 HA ASP 23 1.733 -10.132 -4.708 134 HB2 ASP 23 1HB ASP 23 3.374 -9.808 -6.632 135 HB3 ASP 23 2HB ASP 23 4.351 -8.867 -5.509 136 H GLU 24 H GLU 24 1.085 -9.546 -2.655 137 HA GLU 24 HA GLU 24 3.070 -8.042 -1.079 138 HB2 GLU 24 1HB GLU 24 0.779 -6.954 -1.453 139 HB3 GLU 24 2HB GLU 24 0.141 -8.206 -0.397 140 HG2 GLU 24 1HG GLU 24 1.842 -7.431 1.313 141 HG3 GLU 24 2HG GLU 24 2.095 -6.030 0.273 142 H THR 25 H THR 25 2.557 -11.000 -1.669 143 HA THR 25 HA THR 25 1.991 -12.011 1.009 144 HB THR 25 HB THR 25 0.974 -13.144 -0.948 145 HG1 THR 25 1HG THR 25 1.053 -14.747 0.423 146 HG21 THR 25 1HG2 THR 25 2.207 -14.255 -2.580 147 HG22 THR 25 2HG2 THR 25 3.676 -14.267 -1.602 148 HG23 THR 25 3HG2 THR 25 3.124 -12.767 -2.348 149 H ARG 26 H ARG 26 4.649 -11.039 -0.798 150 HA ARG 26 HA ARG 26 6.455 -12.416 1.058 151 HB2 ARG 26 1HB ARG 26 7.943 -13.114 -0.626 152 HB3 ARG 26 2HB ARG 26 6.350 -13.546 -1.232 153 HG2 ARG 26 1HG ARG 26 6.350 -11.502 -2.609 154 HG3 ARG 26 2HG ARG 26 7.985 -11.152 -2.043 155 HD2 ARG 26 1HD ARG 26 7.422 -13.817 -3.249 156 HD3 ARG 26 2HD ARG 26 7.563 -12.418 -4.314 157 HE ARG 26 HE ARG 26 9.820 -12.309 -3.843 158 HH11 ARG 26 2HH1 ARG 26 8.262 -14.613 -1.749 159 HH12 ARG 26 1HH1 ARG 26 9.749 -15.281 -1.161 160 HH21 ARG 26 2HH2 ARG 26 11.784 -13.180 -3.077 161 HH22 ARG 26 1HH2 ARG 26 11.752 -14.464 -1.917 162 H VAL 27 H VAL 27 8.666 -11.414 1.044 163 HA VAL 27 HA VAL 27 8.378 -8.537 1.170 164 HB VAL 27 HB VAL 27 10.569 -8.519 2.205 165 HG11 VAL 27 1HG1 VAL 27 10.049 -9.668 4.201 166 HG12 VAL 27 2HG1 VAL 27 8.498 -9.216 3.490 167 HG13 VAL 27 3HG1 VAL 27 9.086 -10.873 3.347 168 HG21 VAL 27 1HG2 VAL 27 11.067 -11.340 2.409 169 HG22 VAL 27 2HG2 VAL 27 10.980 -10.860 0.714 170 HG23 VAL 27 3HG2 VAL 27 12.118 -10.062 1.799 171 HA PRO 28 HA PRO 28 10.222 -7.600 -2.713 172 HB2 PRO 28 1HB PRO 28 11.192 -5.126 -2.162 173 HB3 PRO 28 2HB PRO 28 9.470 -5.454 -2.387 174 HG2 PRO 28 1HG PRO 28 11.026 -5.156 0.154 175 HG3 PRO 28 2HG PRO 28 9.429 -4.508 -0.263 176 HD2 PRO 28 1HD PRO 28 9.750 -6.722 1.262 177 HD3 PRO 28 2HD PRO 28 8.365 -6.506 0.172 178 H GLU 29 H GLU 29 11.950 -8.943 -3.049 179 HA GLU 29 HA GLU 29 14.299 -9.063 -1.559 180 HB2 GLU 29 1HB GLU 29 15.297 -10.136 -3.562 181 HB3 GLU 29 2HB GLU 29 13.733 -10.810 -3.125 182 HG2 GLU 29 1HG GLU 29 12.698 -9.987 -4.982 183 HG3 GLU 29 2HG GLU 29 13.802 -8.621 -5.128 184 H VAL 30 H VAL 30 16.523 -8.548 -2.537 185 HA VAL 30 HA VAL 30 17.119 -5.931 -2.431 186 HB VAL 30 HB VAL 30 18.881 -7.562 -2.585 187 HG11 VAL 30 1HG1 VAL 30 18.062 -7.930 -5.465 188 HG12 VAL 30 2HG1 VAL 30 19.454 -8.680 -4.682 189 HG13 VAL 30 3HG1 VAL 30 17.820 -9.094 -4.163 190 HG21 VAL 30 1HG2 VAL 30 20.255 -6.472 -4.498 191 HG22 VAL 30 2HG2 VAL 30 18.865 -5.397 -4.650 192 HG23 VAL 30 3HG2 VAL 30 19.750 -5.485 -3.127 193 HA PRO 31 HA PRO 31 15.252 -3.917 -5.883 194 HB2 PRO 31 1HB PRO 31 16.721 -1.634 -5.843 195 HB3 PRO 31 2HB PRO 31 15.455 -1.982 -4.660 196 HG2 PRO 31 1HG PRO 31 18.421 -2.298 -4.406 197 HG3 PRO 31 2HG PRO 31 17.260 -1.648 -3.233 198 HD2 PRO 31 1HD PRO 31 18.230 -4.172 -3.079 199 HD3 PRO 31 2HD PRO 31 16.592 -3.744 -2.545 200 H SER 32 H SER 32 15.888 -2.848 -7.954 201 HA SER 32 HA SER 32 17.446 -4.458 -9.542 202 HB2 SER 32 1HB SER 32 17.500 -2.545 -11.155 203 HB3 SER 32 2HB SER 32 15.891 -2.883 -10.516 204 HG SER 32 HG SER 32 17.223 -0.604 -10.430 205 H SER 33 H SER 33 18.410 -1.434 -7.949 206 HA SER 33 HA SER 33 21.060 -2.273 -7.504 207 HB2 SER 33 1HB SER 33 20.874 -1.755 -10.098 208 HB3 SER 33 2HB SER 33 21.069 -0.092 -9.546 209 HG SER 33 HG SER 33 22.811 -2.081 -8.602 210 H LEU 34 H LEU 34 22.482 -0.073 -7.214 211 HA LEU 34 HA LEU 34 20.903 2.086 -6.111 212 HB2 LEU 34 1HB LEU 34 20.821 0.910 -4.145 213 HB3 LEU 34 2HB LEU 34 22.362 0.106 -4.438 214 HG LEU 34 HG LEU 34 23.422 2.401 -3.997 215 HD11 LEU 34 1HD1 LEU 34 21.862 3.609 -2.259 216 HD12 LEU 34 2HD1 LEU 34 20.587 2.880 -3.234 217 HD13 LEU 34 3HD1 LEU 34 21.757 3.967 -3.983 218 HD21 LEU 34 1HD2 LEU 34 23.994 1.365 -2.123 219 HD22 LEU 34 2HD2 LEU 34 22.616 0.278 -2.294 220 HD23 LEU 34 3HD2 LEU 34 22.441 1.792 -1.405 221 H HIS 35 H HIS 35 21.877 3.864 -6.794 222 HA HIS 35 HA HIS 35 24.800 3.837 -7.131 223 HB2 HIS 35 1HB HIS 35 23.828 4.305 -9.226 224 HB3 HIS 35 2HB HIS 35 22.616 5.371 -8.522 225 HD1 HIS 35 1HD HIS 35 23.077 7.762 -8.896 226 HD2 HIS 35 2HD HIS 35 26.573 5.518 -8.816 227 HE1 HIS 35 1HE HIS 35 24.934 9.394 -9.358 228 HE2 HIS 35 2HE HIS 35 27.031 7.999 -9.389 229 H VAL 36 H VAL 36 26.060 5.467 -6.277 230 HA VAL 36 HA VAL 36 24.712 7.458 -4.585 231 HB VAL 36 HB VAL 36 26.531 7.151 -2.888 232 HG11 VAL 36 1HG1 VAL 36 24.249 5.456 -3.409 233 HG12 VAL 36 2HG1 VAL 36 25.487 4.606 -2.482 234 HG13 VAL 36 3HG1 VAL 36 24.826 6.129 -1.885 235 HG21 VAL 36 1HG2 VAL 36 27.968 5.872 -4.613 236 HG22 VAL 36 2HG2 VAL 36 27.994 5.345 -2.930 237 HG23 VAL 36 3HG2 VAL 36 27.029 4.464 -4.115 238 H ARG 37 H ARG 37 25.610 9.461 -4.578 239 HA ARG 37 HA ARG 37 28.094 9.814 -6.125 240 HB2 ARG 37 1HB ARG 37 26.297 10.673 -7.446 241 HB3 ARG 37 2HB ARG 37 25.605 11.516 -6.066 242 HG2 ARG 37 1HG ARG 37 27.709 12.905 -6.011 243 HG3 ARG 37 2HG ARG 37 28.116 12.186 -7.571 244 HD2 ARG 37 1HD ARG 37 25.773 12.964 -8.298 245 HD3 ARG 37 2HD ARG 37 25.827 13.991 -6.866 246 HE ARG 37 HE ARG 37 27.208 15.390 -8.012 247 HH11 ARG 37 2HH1 ARG 37 27.406 12.228 -9.455 248 HH12 ARG 37 1HH1 ARG 37 28.451 12.736 -10.739 249 HH21 ARG 37 2HH2 ARG 37 28.585 16.072 -9.698 250 HH22 ARG 37 1HH2 ARG 37 29.122 14.923 -10.876 251 HA PRO 38 HA PRO 38 29.335 11.448 -2.121 252 HB2 PRO 38 1HB PRO 38 31.974 11.585 -2.743 253 HB3 PRO 38 2HB PRO 38 31.176 10.081 -2.269 254 HG2 PRO 38 1HG PRO 38 31.861 11.080 -5.006 255 HG3 PRO 38 2HG PRO 38 32.037 9.449 -4.334 256 HD2 PRO 38 1HD PRO 38 29.980 10.143 -5.952 257 HD3 PRO 38 2HD PRO 38 29.813 8.938 -4.659 258 H LEU 39 H LEU 39 29.281 13.526 -1.552 259 HA LEU 39 HA LEU 39 30.255 15.537 -3.472 260 HB2 LEU 39 1HB LEU 39 27.748 15.397 -1.891 261 HB3 LEU 39 2HB LEU 39 28.493 16.980 -2.100 262 HG LEU 39 HG LEU 39 28.468 16.227 -4.650 263 HD11 LEU 39 1HD1 LEU 39 26.161 14.733 -3.413 264 HD12 LEU 39 2HD1 LEU 39 27.537 14.032 -4.265 265 HD13 LEU 39 3HD1 LEU 39 26.373 15.028 -5.139 266 HD21 LEU 39 1HD2 LEU 39 26.472 17.529 -4.926 267 HD22 LEU 39 2HD2 LEU 39 27.423 18.233 -3.617 268 HD23 LEU 39 3HD2 LEU 39 26.004 17.252 -3.248 269 H VAL 40 H VAL 40 31.134 17.476 -2.569 270 HA VAL 40 HA VAL 40 33.091 17.337 -0.789 271 HB VAL 40 HB VAL 40 31.165 19.664 -0.843 272 HG11 VAL 40 1HG1 VAL 40 32.673 20.906 0.305 273 HG12 VAL 40 2HG1 VAL 40 33.118 19.327 0.955 274 HG13 VAL 40 3HG1 VAL 40 34.058 20.039 -0.358 275 HG21 VAL 40 1HG2 VAL 40 32.904 18.609 -2.853 276 HG22 VAL 40 2HG2 VAL 40 31.835 20.010 -2.933 277 HG23 VAL 40 3HG2 VAL 40 33.488 20.194 -2.346 278 H THR 41 H THR 41 30.035 18.718 0.402 279 HA THR 41 HA THR 41 30.523 17.341 2.964 280 HB THR 41 HB THR 41 29.283 19.192 4.054 281 HG1 THR 41 1HG THR 41 29.151 20.079 1.386 282 HG21 THR 41 1HG2 THR 41 31.180 20.958 3.049 283 HG22 THR 41 2HG2 THR 41 31.896 19.363 2.811 284 HG23 THR 41 3HG2 THR 41 31.381 19.868 4.420 285 H SER 42 H SER 42 28.949 16.507 0.552 286 HA SER 42 HA SER 42 26.539 15.756 2.001 287 HB2 SER 42 1HB SER 42 26.360 17.009 -0.748 288 HB3 SER 42 2HB SER 42 25.019 16.456 0.254 289 HG SER 42 HG SER 42 25.372 18.742 0.356 290 H ILE 43 H ILE 43 25.151 14.340 0.320 291 HA ILE 43 HA ILE 43 26.748 12.792 -1.504 292 HB ILE 43 HB ILE 43 25.753 11.474 1.026 293 HG12 ILE 43 1HG1 ILE 43 28.547 11.994 -0.010 294 HG13 ILE 43 2HG1 ILE 43 27.808 12.704 1.421 295 HG21 ILE 43 1HG2 ILE 43 25.843 10.339 -1.433 296 HG22 ILE 43 2HG2 ILE 43 27.461 9.977 -0.834 297 HG23 ILE 43 3HG2 ILE 43 26.046 9.456 0.080 298 HD11 ILE 43 1HD1 ILE 43 27.615 10.326 2.298 299 HD12 ILE 43 2HD1 ILE 43 28.717 9.884 0.994 300 HD13 ILE 43 3HD1 ILE 43 29.227 11.037 2.227 301 H VAL 44 H VAL 44 25.351 12.717 -3.139 302 HA VAL 44 HA VAL 44 22.501 12.551 -2.695 303 HB VAL 44 HB VAL 44 24.065 12.523 -5.280 304 HG11 VAL 44 1HG1 VAL 44 21.428 13.484 -5.619 305 HG12 VAL 44 2HG1 VAL 44 22.155 12.024 -6.294 306 HG13 VAL 44 3HG1 VAL 44 21.324 11.959 -4.739 307 HG21 VAL 44 1HG2 VAL 44 24.442 14.662 -4.701 308 HG22 VAL 44 2HG2 VAL 44 22.766 14.906 -5.192 309 HG23 VAL 44 3HG2 VAL 44 23.161 14.668 -3.490 310 H VAL 45 H VAL 45 21.955 10.570 -1.897 311 HA VAL 45 HA VAL 45 22.974 8.152 -3.141 312 HB VAL 45 HB VAL 45 20.981 8.482 -0.894 313 HG11 VAL 45 1HG1 VAL 45 22.144 5.994 -0.675 314 HG12 VAL 45 2HG1 VAL 45 20.528 6.333 -1.298 315 HG13 VAL 45 3HG1 VAL 45 21.888 6.171 -2.410 316 HG21 VAL 45 1HG2 VAL 45 23.658 9.051 -0.836 317 HG22 VAL 45 2HG2 VAL 45 22.680 8.604 0.561 318 HG23 VAL 45 3HG2 VAL 45 23.616 7.375 -0.289 319 H SER 46 H SER 46 22.101 7.807 -5.111 320 HA SER 46 HA SER 46 19.180 7.995 -5.390 321 HB2 SER 46 1HB SER 46 19.495 8.256 -7.737 322 HB3 SER 46 2HB SER 46 20.695 9.294 -6.968 323 HG SER 46 HG SER 46 21.207 6.659 -7.890 324 H TRP 47 H TRP 47 18.021 6.194 -5.507 325 HA TRP 47 HA TRP 47 19.393 3.690 -6.238 326 HB2 TRP 47 1HB TRP 47 17.865 2.514 -4.694 327 HB3 TRP 47 2HB TRP 47 18.869 3.695 -3.856 328 HD1 TRP 47 HD TRP 47 15.248 2.951 -4.767 329 HE1 TRP 47 1HE TRP 47 13.714 4.549 -3.456 330 HE3 TRP 47 3HE TRP 47 18.801 6.058 -2.802 331 HZ2 TRP 47 2HZ TRP 47 13.975 6.825 -1.807 332 HZ3 TRP 47 3HZ TRP 47 18.075 7.922 -1.369 333 HH2 TRP 47 HH TRP 47 15.712 8.296 -0.883 334 H THR 48 H THR 48 17.514 1.948 -6.653 335 HA THR 48 HA THR 48 15.375 3.129 -8.255 336 HB THR 48 HB THR 48 15.907 1.450 -10.103 337 HG1 THR 48 1HG THR 48 18.138 1.185 -8.449 338 HG21 THR 48 1HG2 THR 48 17.426 3.942 -9.495 339 HG22 THR 48 2HG2 THR 48 16.267 3.614 -10.784 340 HG23 THR 48 3HG2 THR 48 17.909 2.979 -10.891 341 HA PRO 49 HA PRO 49 13.050 -0.172 -6.500 342 HB2 PRO 49 1HB PRO 49 10.996 -0.247 -8.274 343 HB3 PRO 49 2HB PRO 49 11.182 1.037 -7.073 344 HG2 PRO 49 1HG PRO 49 11.914 1.037 -9.976 345 HG3 PRO 49 2HG PRO 49 11.127 2.307 -9.021 346 HD2 PRO 49 1HD PRO 49 13.763 2.368 -9.635 347 HD3 PRO 49 2HD PRO 49 13.120 3.041 -8.124 348 HA PRO 50 HA PRO 50 13.949 -3.954 -8.556 349 HB2 PRO 50 1HB PRO 50 11.816 -5.492 -7.881 350 HB3 PRO 50 2HB PRO 50 13.078 -5.040 -6.729 351 HG2 PRO 50 1HG PRO 50 10.368 -3.835 -7.141 352 HG3 PRO 50 2HG PRO 50 11.205 -4.215 -5.624 353 HD2 PRO 50 1HD PRO 50 11.103 -1.709 -6.644 354 HD3 PRO 50 2HD PRO 50 12.490 -2.303 -5.708 355 H GLU 51 H GLU 51 13.784 -4.667 -10.592 356 HA GLU 51 HA GLU 51 12.382 -3.628 -12.607 357 HB2 GLU 51 1HB GLU 51 13.365 -6.394 -12.126 358 HB3 GLU 51 2HB GLU 51 12.304 -6.141 -13.505 359 HG2 GLU 51 1HG GLU 51 14.299 -5.796 -14.516 360 HG3 GLU 51 2HG GLU 51 13.977 -4.151 -13.971 361 H ASN 52 H ASN 52 11.160 -6.231 -10.527 362 HA ASN 52 HA ASN 52 8.642 -6.424 -11.841 363 HB2 ASN 52 1HB ASN 52 9.823 -8.160 -10.325 364 HB3 ASN 52 2HB ASN 52 9.121 -7.253 -8.989 365 HD21 ASN 52 1HD2 ASN 52 8.324 -9.681 -8.969 366 HD22 ASN 52 2HD2 ASN 52 6.745 -9.898 -9.635 367 H GLN 53 H GLN 53 7.252 -4.782 -11.877 368 HA GLN 53 HA GLN 53 7.046 -3.001 -9.570 369 HB2 GLN 53 1HB GLN 53 6.143 -2.836 -12.427 370 HB3 GLN 53 2HB GLN 53 5.439 -1.779 -11.210 371 HG2 GLN 53 1HG GLN 53 8.397 -1.934 -11.385 372 HG3 GLN 53 2HG GLN 53 7.527 -1.058 -12.643 373 HE21 GLN 53 1HE2 GLN 53 8.340 -1.178 -9.266 374 HE22 GLN 53 2HE2 GLN 53 7.857 0.437 -8.884 375 H ASN 54 H ASN 54 6.059 -5.639 -9.252 376 HA ASN 54 HA ASN 54 3.155 -5.157 -9.110 377 HB2 ASN 54 1HB ASN 54 4.581 -7.825 -9.206 378 HB3 ASN 54 2HB ASN 54 2.838 -7.574 -9.196 379 HD21 ASN 54 1HD2 ASN 54 2.415 -5.642 -10.977 380 HD22 ASN 54 2HD2 ASN 54 2.952 -6.114 -12.550 381 H ILE 55 H ILE 55 6.034 -6.010 -7.379 382 HA ILE 55 HA ILE 55 4.746 -6.959 -5.014 383 HB ILE 55 HB ILE 55 7.540 -5.846 -5.275 384 HG12 ILE 55 1HG1 ILE 55 6.808 -8.763 -5.361 385 HG13 ILE 55 2HG1 ILE 55 6.838 -7.794 -6.830 386 HG21 ILE 55 1HG2 ILE 55 6.802 -6.015 -2.978 387 HG22 ILE 55 2HG2 ILE 55 6.282 -7.679 -3.239 388 HG23 ILE 55 3HG2 ILE 55 7.995 -7.270 -3.313 389 HD11 ILE 55 1HD1 ILE 55 9.253 -7.257 -5.548 390 HD12 ILE 55 2HD1 ILE 55 9.006 -8.996 -5.389 391 HD13 ILE 55 3HD1 ILE 55 8.995 -8.247 -6.985 392 H VAL 56 H VAL 56 3.882 -5.844 -3.388 393 HA VAL 56 HA VAL 56 3.602 -3.026 -3.512 394 HB VAL 56 HB VAL 56 2.978 -4.984 -1.302 395 HG11 VAL 56 1HG1 VAL 56 2.895 -2.041 -1.357 396 HG12 VAL 56 2HG1 VAL 56 1.444 -2.835 -0.742 397 HG13 VAL 56 3HG1 VAL 56 3.009 -3.150 0.009 398 HG21 VAL 56 1HG2 VAL 56 1.740 -4.876 -3.615 399 HG22 VAL 56 2HG2 VAL 56 0.832 -5.068 -2.115 400 HG23 VAL 56 3HG2 VAL 56 0.945 -3.483 -2.882 401 H VAL 57 H VAL 57 5.237 -1.673 -3.156 402 HA VAL 57 HA VAL 57 7.140 -2.290 -0.996 403 HB VAL 57 HB VAL 57 7.469 -0.451 -3.371 404 HG11 VAL 57 1HG1 VAL 57 8.672 -0.175 -0.931 405 HG12 VAL 57 2HG1 VAL 57 9.839 -1.160 -1.815 406 HG13 VAL 57 3HG1 VAL 57 9.330 0.399 -2.463 407 HG21 VAL 57 1HG2 VAL 57 8.955 -2.051 -4.267 408 HG22 VAL 57 2HG2 VAL 57 8.991 -2.974 -2.765 409 HG23 VAL 57 3HG2 VAL 57 7.531 -2.958 -3.754 410 H ARG 58 H ARG 58 6.701 -1.262 0.835 411 HA ARG 58 HA ARG 58 5.107 1.123 0.910 412 HB2 ARG 58 1HB ARG 58 6.547 -0.462 3.034 413 HB3 ARG 58 2HB ARG 58 5.657 1.012 3.391 414 HG2 ARG 58 1HG ARG 58 4.270 -1.156 1.904 415 HG3 ARG 58 2HG ARG 58 4.545 -1.352 3.636 416 HD2 ARG 58 1HD ARG 58 3.509 0.942 3.918 417 HD3 ARG 58 2HD ARG 58 3.012 0.821 2.230 418 HE ARG 58 HE ARG 58 2.217 -1.405 3.886 419 HH11 ARG 58 2HH1 ARG 58 1.364 1.734 2.647 420 HH12 ARG 58 1HH1 ARG 58 -0.339 1.501 2.865 421 HH21 ARG 58 2HH2 ARG 58 -0.022 -1.724 4.179 422 HH22 ARG 58 1HH2 ARG 58 -1.126 -0.465 3.738 423 H GLY 59 H GLY 59 8.498 0.342 1.656 424 HA2 GLY 59 1HA GLY 59 9.441 2.849 0.720 425 HA3 GLY 59 2HA GLY 59 9.342 2.860 2.475 426 H TYR 60 H TYR 60 11.764 3.267 1.605 427 HA TYR 60 HA TYR 60 13.125 0.671 1.897 428 HB2 TYR 60 1HB TYR 60 14.254 3.011 0.364 429 HB3 TYR 60 2HB TYR 60 14.842 1.352 0.394 430 HD1 TYR 60 2HD TYR 60 12.123 3.540 -0.822 431 HD2 TYR 60 1HD TYR 60 13.956 -0.291 -1.076 432 HE1 TYR 60 2HE TYR 60 10.776 3.034 -2.817 433 HE2 TYR 60 1HE TYR 60 12.615 -0.807 -3.072 434 HH TYR 60 HH TYR 60 11.339 1.077 -4.968 435 H ALA 61 H ALA 61 15.467 1.005 2.638 436 HA ALA 61 HA ALA 61 15.550 3.131 4.679 437 HB1 ALA 61 1HB ALA 61 15.179 0.723 5.486 438 HB2 ALA 61 2HB ALA 61 16.871 0.465 5.056 439 HB3 ALA 61 3HB ALA 61 16.443 1.674 6.267 440 H ILE 62 H ILE 62 17.402 4.288 4.865 441 HA ILE 62 HA ILE 62 19.620 3.549 3.070 442 HB ILE 62 HB ILE 62 18.745 6.326 3.876 443 HG12 ILE 62 1HG1 ILE 62 18.772 5.297 1.065 444 HG13 ILE 62 2HG1 ILE 62 17.425 4.876 2.117 445 HG21 ILE 62 1HG2 ILE 62 20.549 7.198 2.753 446 HG22 ILE 62 2HG2 ILE 62 21.258 5.737 3.438 447 HG23 ILE 62 3HG2 ILE 62 20.756 5.763 1.748 448 HD11 ILE 62 1HD1 ILE 62 18.043 7.705 2.203 449 HD12 ILE 62 2HD1 ILE 62 17.653 7.142 0.577 450 HD13 ILE 62 3HD1 ILE 62 16.512 6.885 1.897 451 H GLY 63 H GLY 63 21.194 2.718 4.296 452 HA2 GLY 63 1HA GLY 63 21.730 3.926 6.924 453 HA3 GLY 63 2HA GLY 63 22.257 2.332 6.406 454 H TYR 64 H TYR 64 23.535 5.031 7.350 455 HA TYR 64 HA TYR 64 25.799 4.827 5.500 456 HB2 TYR 64 1HB TYR 64 26.033 7.224 5.338 457 HB3 TYR 64 2HB TYR 64 24.403 6.785 4.841 458 HD1 TYR 64 2HD TYR 64 26.422 8.445 7.407 459 HD2 TYR 64 1HD TYR 64 22.480 7.405 6.187 460 HE1 TYR 64 2HE TYR 64 25.502 10.034 9.043 461 HE2 TYR 64 1HE TYR 64 21.550 8.992 7.820 462 HH TYR 64 HH TYR 64 23.519 10.525 10.219 463 H GLY 65 H GLY 65 27.812 5.667 6.389 464 HA2 GLY 65 1HA GLY 65 28.491 6.727 8.720 465 HA3 GLY 65 2HA GLY 65 27.953 5.143 9.257 466 H ILE 66 H ILE 66 30.635 6.535 9.198 467 HA ILE 66 HA ILE 66 32.282 5.177 7.332 468 HB ILE 66 HB ILE 66 32.941 6.561 9.929 469 HG12 ILE 66 1HG1 ILE 66 34.098 8.054 8.050 470 HG13 ILE 66 2HG1 ILE 66 32.839 7.335 7.052 471 HG21 ILE 66 1HG2 ILE 66 34.890 5.578 7.851 472 HG22 ILE 66 2HG2 ILE 66 35.268 6.392 9.369 473 HG23 ILE 66 3HG2 ILE 66 34.577 4.770 9.387 474 HD11 ILE 66 1HD1 ILE 66 32.338 8.822 9.617 475 HD12 ILE 66 2HD1 ILE 66 32.221 9.524 8.003 476 HD13 ILE 66 3HD1 ILE 66 31.130 8.223 8.481 477 H GLY 67 H GLY 67 32.758 3.087 7.305 478 HA2 GLY 67 1HA GLY 67 33.821 1.188 8.288 479 HA3 GLY 67 2HA GLY 67 33.231 1.712 9.858 480 H SER 68 H SER 68 30.544 2.136 9.260 481 HA SER 68 HA SER 68 29.448 -0.211 8.007 482 HB2 SER 68 1HB SER 68 30.238 -0.757 10.479 483 HB3 SER 68 2HB SER 68 28.713 0.024 10.894 484 HG SER 68 HG SER 68 29.004 -2.441 10.206 485 HA PRO 69 HA PRO 69 26.148 2.651 7.442 486 HB2 PRO 69 1HB PRO 69 24.213 0.901 6.690 487 HB3 PRO 69 2HB PRO 69 25.552 1.366 5.633 488 HG2 PRO 69 1HG PRO 69 25.231 -1.089 7.316 489 HG3 PRO 69 2HG PRO 69 25.835 -0.942 5.655 490 HD2 PRO 69 1HD PRO 69 27.484 -1.209 7.787 491 HD3 PRO 69 2HD PRO 69 27.933 -0.278 6.343 492 H HIS 70 H HIS 70 25.901 -0.063 9.614 493 HA HIS 70 HA HIS 70 23.390 0.291 10.716 494 HB2 HIS 70 1HB HIS 70 25.979 -0.614 11.976 495 HB3 HIS 70 2HB HIS 70 24.442 -0.644 12.836 496 HD1 HIS 70 1HD HIS 70 22.627 -2.324 11.940 497 HD2 HIS 70 2HD HIS 70 26.373 -2.673 10.177 498 HE1 HIS 70 1HE HIS 70 22.608 -4.541 10.754 499 HE2 HIS 70 2HE HIS 70 24.914 -4.769 9.766 500 H ALA 71 H ALA 71 26.270 2.199 11.122 501 HA ALA 71 HA ALA 71 25.979 3.521 13.460 502 HB1 ALA 71 1HB ALA 71 26.656 5.627 11.998 503 HB2 ALA 71 2HB ALA 71 27.778 4.301 12.304 504 HB3 ALA 71 3HB ALA 71 26.904 4.380 10.775 505 H GLN 72 H GLN 72 24.516 4.783 10.457 506 HA GLN 72 HA GLN 72 22.225 5.700 12.053 507 HB2 GLN 72 1HB GLN 72 23.984 7.299 10.241 508 HB3 GLN 72 2HB GLN 72 22.277 7.707 10.348 509 HG2 GLN 72 1HG GLN 72 24.304 7.701 12.567 510 HG3 GLN 72 2HG GLN 72 23.462 9.087 11.876 511 HE21 GLN 72 1HE2 GLN 72 23.406 6.637 14.219 512 HE22 GLN 72 2HE2 GLN 72 21.838 6.961 14.869 513 H THR 73 H THR 73 20.252 5.910 10.906 514 HA THR 73 HA THR 73 20.203 4.758 8.207 515 HB THR 73 HB THR 73 18.407 3.869 10.473 516 HG1 THR 73 1HG THR 73 20.595 2.682 9.121 517 HG21 THR 73 1HG2 THR 73 17.885 2.123 8.531 518 HG22 THR 73 2HG2 THR 73 18.295 3.514 7.526 519 HG23 THR 73 3HG2 THR 73 16.986 3.630 8.702 520 H ILE 74 H ILE 74 18.632 5.556 6.866 521 HA ILE 74 HA ILE 74 16.812 7.572 8.007 522 HB ILE 74 HB ILE 74 18.310 7.749 5.391 523 HG12 ILE 74 1HG1 ILE 74 18.404 9.666 7.716 524 HG13 ILE 74 2HG1 ILE 74 19.500 8.294 7.595 525 HG21 ILE 74 1HG2 ILE 74 17.110 10.176 5.790 526 HG22 ILE 74 2HG2 ILE 74 16.530 8.914 4.704 527 HG23 ILE 74 3HG2 ILE 74 15.871 9.046 6.334 528 HD11 ILE 74 1HD1 ILE 74 20.516 10.357 6.784 529 HD12 ILE 74 2HD1 ILE 74 20.371 9.155 5.501 530 HD13 ILE 74 3HD1 ILE 74 19.242 10.508 5.574 531 H LYS 75 H LYS 75 14.734 7.247 7.573 532 HA LYS 75 HA LYS 75 14.037 5.348 5.437 533 HB2 LYS 75 1HB LYS 75 12.665 6.084 8.015 534 HB3 LYS 75 2HB LYS 75 11.821 5.235 6.726 535 HG2 LYS 75 1HG LYS 75 14.380 4.214 7.920 536 HG3 LYS 75 2HG LYS 75 12.793 3.819 8.583 537 HD2 LYS 75 1HD LYS 75 12.187 3.042 6.232 538 HD3 LYS 75 2HD LYS 75 13.914 3.132 5.878 539 HE2 LYS 75 1HE LYS 75 13.452 0.886 6.489 540 HE3 LYS 75 2HE LYS 75 14.290 1.624 7.853 541 HZ1 LYS 75 1HZ LYS 75 11.344 1.304 7.654 542 HZ2 LYS 75 2HZ LYS 75 12.204 1.892 8.986 543 HZ3 LYS 75 3HZ LYS 75 12.368 0.274 8.523 544 H VAL 76 H VAL 76 12.640 5.908 3.841 545 HA VAL 76 HA VAL 76 11.312 8.520 3.993 546 HB VAL 76 HB VAL 76 11.937 8.983 1.632 547 HG11 VAL 76 1HG1 VAL 76 14.217 8.707 3.587 548 HG12 VAL 76 2HG1 VAL 76 14.255 9.685 2.119 549 HG13 VAL 76 3HG1 VAL 76 13.133 10.087 3.419 550 HG21 VAL 76 1HG2 VAL 76 14.212 7.622 1.125 551 HG22 VAL 76 2HG2 VAL 76 13.281 6.382 1.965 552 HG23 VAL 76 3HG2 VAL 76 12.627 7.146 0.517 553 H ASP 77 H ASP 77 10.060 8.690 1.667 554 HA ASP 77 HA ASP 77 8.259 6.392 1.720 555 HB2 ASP 77 1HB ASP 77 8.019 9.188 0.621 556 HB3 ASP 77 2HB ASP 77 6.847 7.932 0.231 557 H TYR 78 H TYR 78 7.513 5.395 -0.231 558 HA TYR 78 HA TYR 78 9.453 4.483 -1.932 559 HB2 TYR 78 1HB TYR 78 7.527 3.963 -3.522 560 HB3 TYR 78 2HB TYR 78 7.396 3.316 -1.891 561 HD1 TYR 78 1HD TYR 78 6.067 5.762 -4.274 562 HD2 TYR 78 2HD TYR 78 5.729 4.163 -0.345 563 HE1 TYR 78 1HE TYR 78 3.873 6.846 -4.027 564 HE2 TYR 78 2HE TYR 78 3.534 5.241 -0.089 565 HH TYR 78 HH TYR 78 2.110 6.750 -0.971 566 H LYS 79 H LYS 79 7.122 7.081 -2.651 567 HA LYS 79 HA LYS 79 7.748 7.820 -5.153 568 HB2 LYS 79 1HB LYS 79 7.430 9.699 -2.805 569 HB3 LYS 79 2HB LYS 79 7.333 10.184 -4.493 570 HG2 LYS 79 1HG LYS 79 5.452 8.486 -4.709 571 HG3 LYS 79 2HG LYS 79 5.451 8.436 -2.945 572 HD2 LYS 79 1HD LYS 79 3.888 10.070 -3.293 573 HD3 LYS 79 2HD LYS 79 5.348 11.060 -3.217 574 HE2 LYS 79 1HE LYS 79 4.525 9.981 -5.860 575 HE3 LYS 79 2HE LYS 79 3.581 11.305 -5.178 576 HZ1 LYS 79 1HZ LYS 79 5.187 12.749 -5.639 577 HZ2 LYS 79 2HZ LYS 79 5.902 11.545 -6.587 578 HZ3 LYS 79 3HZ LYS 79 6.396 11.764 -4.984 579 H GLN 80 H GLN 80 9.648 8.740 -2.293 580 HA GLN 80 HA GLN 80 11.567 10.311 -3.514 581 HB2 GLN 80 1HB GLN 80 11.735 8.462 -1.142 582 HB3 GLN 80 2HB GLN 80 13.091 9.462 -1.644 583 HG2 GLN 80 1HG GLN 80 11.493 10.307 0.201 584 HG3 GLN 80 2HG GLN 80 12.047 11.421 -1.047 585 HE21 GLN 80 1HE2 GLN 80 10.500 12.716 -1.698 586 HE22 GLN 80 2HE2 GLN 80 8.832 12.308 -1.884 587 H ARG 81 H ARG 81 13.149 9.949 -4.924 588 HA ARG 81 HA ARG 81 13.751 7.174 -5.653 589 HB2 ARG 81 1HB ARG 81 13.051 9.122 -7.298 590 HB3 ARG 81 2HB ARG 81 14.765 9.508 -7.215 591 HG2 ARG 81 1HG ARG 81 13.991 6.697 -7.773 592 HG3 ARG 81 2HG ARG 81 13.789 7.894 -9.054 593 HD2 ARG 81 1HD ARG 81 16.363 7.626 -7.533 594 HD3 ARG 81 2HD ARG 81 16.010 6.621 -8.938 595 HE ARG 81 HE ARG 81 15.693 9.453 -9.381 596 HH11 ARG 81 2HH1 ARG 81 17.873 6.740 -9.462 597 HH12 ARG 81 1HH1 ARG 81 18.950 7.472 -10.605 598 HH21 ARG 81 2HH2 ARG 81 17.103 10.428 -10.886 599 HH22 ARG 81 1HH2 ARG 81 18.511 9.570 -11.414 600 H TYR 82 H TYR 82 15.232 10.133 -4.499 601 HA TYR 82 HA TYR 82 17.592 8.621 -3.713 602 HB2 TYR 82 1HB TYR 82 19.168 10.117 -4.736 603 HB3 TYR 82 2HB TYR 82 18.065 9.559 -5.989 604 HD1 TYR 82 2HD TYR 82 16.325 11.088 -6.874 605 HD2 TYR 82 1HD TYR 82 19.292 12.425 -4.133 606 HE1 TYR 82 2HE TYR 82 15.823 13.418 -7.477 607 HE2 TYR 82 1HE TYR 82 18.798 14.760 -4.728 608 HH TYR 82 HH TYR 82 17.755 15.917 -6.929 609 H TYR 83 H TYR 83 18.929 9.762 -2.162 610 HA TYR 83 HA TYR 83 17.523 11.972 -0.815 611 HB2 TYR 83 1HB TYR 83 17.364 9.648 0.298 612 HB3 TYR 83 2HB TYR 83 19.064 9.873 0.695 613 HD1 TYR 83 2HD TYR 83 19.751 11.602 2.286 614 HD2 TYR 83 1HD TYR 83 15.643 10.932 1.403 615 HE1 TYR 83 2HE TYR 83 19.118 12.894 4.280 616 HE2 TYR 83 1HE TYR 83 14.998 12.222 3.395 617 HH TYR 83 HH TYR 83 17.427 13.467 5.643 618 H THR 84 H THR 84 18.729 13.711 -0.432 619 HA THR 84 HA THR 84 21.604 13.552 -0.954 620 HB THR 84 HB THR 84 19.798 15.965 -0.705 621 HG1 THR 84 1HG THR 84 19.380 15.352 -2.698 622 HG21 THR 84 1HG2 THR 84 22.564 16.047 -1.834 623 HG22 THR 84 2HG2 THR 84 22.338 16.119 -0.086 624 HG23 THR 84 3HG2 THR 84 21.604 17.342 -1.122 625 H ILE 85 H ILE 85 22.438 12.762 0.959 626 HA ILE 85 HA ILE 85 21.711 13.815 3.514 627 HB ILE 85 HB ILE 85 24.189 12.233 2.833 628 HG12 ILE 85 1HG1 ILE 85 21.552 11.118 3.790 629 HG13 ILE 85 2HG1 ILE 85 21.985 11.197 2.086 630 HG21 ILE 85 1HG2 ILE 85 24.477 13.026 4.991 631 HG22 ILE 85 2HG2 ILE 85 22.758 12.919 5.369 632 HG23 ILE 85 3HG2 ILE 85 23.730 11.451 5.258 633 HD11 ILE 85 1HD1 ILE 85 22.384 9.003 3.286 634 HD12 ILE 85 2HD1 ILE 85 23.729 9.657 2.351 635 HD13 ILE 85 3HD1 ILE 85 23.716 9.817 4.107 636 H GLU 86 H GLU 86 22.133 15.905 3.909 637 HA GLU 86 HA GLU 86 24.657 17.073 3.032 638 HB2 GLU 86 1HB GLU 86 22.161 18.248 4.249 639 HB3 GLU 86 2HB GLU 86 23.624 19.189 3.994 640 HG2 GLU 86 1HG GLU 86 23.499 18.642 1.582 641 HG3 GLU 86 2HG GLU 86 21.961 17.835 1.885 642 H ASN 87 H ASN 87 25.343 18.870 4.839 643 HA ASN 87 HA ASN 87 26.647 19.077 6.702 644 HB2 ASN 87 1HB ASN 87 25.379 18.136 8.818 645 HB3 ASN 87 2HB ASN 87 24.775 19.552 7.963 646 HD21 ASN 87 1HD2 ASN 87 22.964 19.342 6.618 647 HD22 ASN 87 2HD2 ASN 87 21.872 18.014 6.779 648 H LEU 88 H LEU 88 27.676 17.102 5.276 649 HA LEU 88 HA LEU 88 28.097 14.863 7.140 650 HB2 LEU 88 1HB LEU 88 28.344 15.084 4.157 651 HB3 LEU 88 2HB LEU 88 29.094 13.765 5.053 652 HG LEU 88 HG LEU 88 26.137 14.363 5.029 653 HD11 LEU 88 1HD1 LEU 88 27.810 12.447 3.431 654 HD12 LEU 88 2HD1 LEU 88 26.655 13.646 2.851 655 HD13 LEU 88 3HD1 LEU 88 26.082 12.207 3.694 656 HD21 LEU 88 1HD2 LEU 88 26.023 12.051 5.979 657 HD22 LEU 88 2HD2 LEU 88 26.743 13.253 7.050 658 HD23 LEU 88 3HD2 LEU 88 27.774 12.113 6.183 659 H ASP 89 H ASP 89 30.423 13.831 6.449 660 HA ASP 89 HA ASP 89 32.340 16.014 6.916 661 HB2 ASP 89 1HB ASP 89 32.218 14.399 8.746 662 HB3 ASP 89 2HB ASP 89 32.537 13.079 7.624 663 HA PRO 90 HA PRO 90 33.799 15.076 2.807 664 HB2 PRO 90 1HB PRO 90 35.762 16.951 2.789 665 HB3 PRO 90 2HB PRO 90 34.056 17.344 2.545 666 HG2 PRO 90 1HG PRO 90 35.718 17.574 5.024 667 HG3 PRO 90 2HG PRO 90 34.533 18.715 4.362 668 HD2 PRO 90 1HD PRO 90 33.953 17.034 6.404 669 HD3 PRO 90 2HD PRO 90 32.740 17.541 5.210 670 H SER 91 H SER 91 35.858 14.437 1.825 671 HA SER 91 HA SER 91 37.655 13.038 1.755 672 HB2 SER 91 1HB SER 91 38.268 14.984 3.919 673 HB3 SER 91 2HB SER 91 39.305 13.563 3.802 674 HG SER 91 HG SER 91 39.960 14.182 1.826 675 H SER 92 H SER 92 35.517 11.739 2.717 676 HA SER 92 HA SER 92 36.727 9.787 4.479 677 HB2 SER 92 1HB SER 92 34.510 11.586 5.341 678 HB3 SER 92 2HB SER 92 34.435 9.895 5.836 679 HG SER 92 HG SER 92 35.685 10.614 7.385 680 H HIS 93 H HIS 93 36.077 7.779 3.980 681 HA HIS 93 HA HIS 93 34.232 7.428 1.799 682 HB2 HIS 93 1HB HIS 93 36.061 5.979 1.670 683 HB3 HIS 93 2HB HIS 93 36.001 5.595 3.388 684 HD1 HIS 93 1HD HIS 93 35.669 3.123 3.351 685 HD2 HIS 93 2HD HIS 93 33.026 5.109 0.835 686 HE1 HIS 93 1HE HIS 93 34.065 1.364 2.538 687 HE2 HIS 93 2HE HIS 93 32.528 2.573 0.950 688 H TYR 94 H TYR 94 32.112 7.436 2.129 689 HA TYR 94 HA TYR 94 31.053 6.406 4.664 690 HB2 TYR 94 1HB TYR 94 30.093 8.395 2.662 691 HB3 TYR 94 2HB TYR 94 28.886 7.495 3.573 692 HD1 TYR 94 2HD TYR 94 31.680 9.884 3.839 693 HD2 TYR 94 1HD TYR 94 28.502 7.937 5.892 694 HE1 TYR 94 2HE TYR 94 31.953 11.439 5.725 695 HE2 TYR 94 1HE TYR 94 28.766 9.487 7.783 696 HH TYR 94 HH TYR 94 30.372 12.324 7.623 697 H VAL 95 H VAL 95 30.060 4.505 4.737 698 HA VAL 95 HA VAL 95 29.567 3.060 2.262 699 HB VAL 95 HB VAL 95 29.303 2.151 5.132 700 HG11 VAL 95 1HG1 VAL 95 29.532 -0.129 3.816 701 HG12 VAL 95 2HG1 VAL 95 27.963 0.641 4.063 702 HG13 VAL 95 3HG1 VAL 95 28.802 0.821 2.521 703 HG21 VAL 95 1HG2 VAL 95 31.568 2.396 4.908 704 HG22 VAL 95 2HG2 VAL 95 31.373 0.764 4.271 705 HG23 VAL 95 3HG2 VAL 95 31.537 2.128 3.165 706 H ILE 96 H ILE 96 27.706 3.646 1.300 707 HA ILE 96 HA ILE 96 25.305 4.037 2.921 708 HB ILE 96 HB ILE 96 25.830 4.549 -0.007 709 HG12 ILE 96 1HG1 ILE 96 25.223 6.938 0.904 710 HG13 ILE 96 2HG1 ILE 96 25.689 6.250 2.456 711 HG21 ILE 96 1HG2 ILE 96 23.429 5.765 0.970 712 HG22 ILE 96 2HG2 ILE 96 23.646 4.654 -0.382 713 HG23 ILE 96 3HG2 ILE 96 23.370 4.024 1.242 714 HD11 ILE 96 1HD1 ILE 96 27.356 6.811 0.055 715 HD12 ILE 96 2HD1 ILE 96 27.654 7.193 1.751 716 HD13 ILE 96 3HD1 ILE 96 27.838 5.537 1.174 717 H THR 97 H THR 97 23.642 2.646 2.971 718 HA THR 97 HA THR 97 23.706 0.355 1.117 719 HB THR 97 HB THR 97 22.674 -0.996 2.965 720 HG1 THR 97 1HG THR 97 23.469 1.256 4.527 721 HG21 THR 97 1HG2 THR 97 24.719 -1.663 3.785 722 HG22 THR 97 2HG2 THR 97 25.310 -0.010 3.958 723 HG23 THR 97 3HG2 THR 97 25.223 -0.753 2.361 724 H LEU 98 H LEU 98 21.583 -0.716 0.840 725 HA LEU 98 HA LEU 98 19.248 0.919 1.419 726 HB2 LEU 98 1HB LEU 98 20.104 1.791 -0.709 727 HB3 LEU 98 2HB LEU 98 20.025 0.171 -1.398 728 HG LEU 98 HG LEU 98 17.485 0.359 -0.785 729 HD11 LEU 98 1HD1 LEU 98 16.985 2.307 0.188 730 HD12 LEU 98 2HD1 LEU 98 17.123 2.991 -1.431 731 HD13 LEU 98 3HD1 LEU 98 18.495 3.060 -0.325 732 HD21 LEU 98 1HD2 LEU 98 18.814 1.750 -3.104 733 HD22 LEU 98 2HD2 LEU 98 17.086 1.410 -3.012 734 HD23 LEU 98 3HD2 LEU 98 18.246 0.081 -3.035 735 H LYS 99 H LYS 99 17.543 -0.316 1.889 736 HA LYS 99 HA LYS 99 17.395 -3.033 0.798 737 HB2 LYS 99 1HB LYS 99 16.929 -4.009 2.938 738 HB3 LYS 99 2HB LYS 99 18.431 -3.105 3.075 739 HG2 LYS 99 1HG LYS 99 17.329 -1.319 4.221 740 HG3 LYS 99 2HG LYS 99 15.747 -2.046 3.931 741 HD2 LYS 99 1HD LYS 99 16.127 -2.737 6.083 742 HD3 LYS 99 2HD LYS 99 16.828 -4.091 5.192 743 HE2 LYS 99 1HE LYS 99 19.034 -3.256 5.505 744 HE3 LYS 99 2HE LYS 99 18.433 -1.720 6.126 745 HZ1 LYS 99 1HZ LYS 99 17.561 -4.065 7.584 746 HZ2 LYS 99 2HZ LYS 99 18.112 -2.573 8.160 747 HZ3 LYS 99 3HZ LYS 99 19.222 -3.751 7.669 748 H ALA 100 H ALA 100 15.378 -3.682 0.265 749 HA ALA 100 HA ALA 100 13.242 -1.722 0.534 750 HB1 ALA 100 1HB ALA 100 12.233 -3.897 -0.863 751 HB2 ALA 100 2HB ALA 100 12.871 -2.402 -1.551 752 HB3 ALA 100 3HB ALA 100 13.925 -3.803 -1.355 753 H PHE 101 H PHE 101 11.601 -1.890 1.920 754 HA PHE 101 HA PHE 101 11.028 -4.506 3.130 755 HB2 PHE 101 1HB PHE 101 10.835 -3.541 5.325 756 HB3 PHE 101 2HB PHE 101 12.406 -3.091 4.671 757 HD1 PHE 101 2HD PHE 101 12.875 -0.797 4.026 758 HD2 PHE 101 1HD PHE 101 9.116 -1.900 5.689 759 HE1 PHE 101 2HE PHE 101 12.371 1.573 4.448 760 HE2 PHE 101 1HE PHE 101 8.604 0.469 6.113 761 HZ PHE 101 HZ PHE 101 10.233 2.209 5.493 762 H ASN 102 H ASN 102 8.887 -4.900 3.647 763 HA ASN 102 HA ASN 102 6.929 -2.795 3.107 764 HB2 ASN 102 1HB ASN 102 5.651 -4.125 1.584 765 HB3 ASN 102 2HB ASN 102 7.314 -4.133 1.003 766 HD21 ASN 102 1HD2 ASN 102 5.525 -6.030 0.183 767 HD22 ASN 102 2HD2 ASN 102 5.963 -7.566 0.842 768 H ASN 103 H ASN 103 4.610 -4.028 3.402 769 HA ASN 103 HA ASN 103 4.317 -4.432 6.124 770 HB2 ASN 103 1HB ASN 103 2.079 -5.072 5.680 771 HB3 ASN 103 2HB ASN 103 2.507 -3.947 4.395 772 HD21 ASN 103 1HD2 ASN 103 1.269 -6.968 5.127 773 HD22 ASN 103 2HD2 ASN 103 1.300 -7.652 3.540 774 H VAL 104 H VAL 104 5.092 -6.724 3.602 775 HA VAL 104 HA VAL 104 4.609 -9.082 5.114 776 HB VAL 104 HB VAL 104 6.414 -8.674 2.726 777 HG11 VAL 104 1HG1 VAL 104 5.225 -11.271 3.658 778 HG12 VAL 104 2HG1 VAL 104 6.511 -11.009 2.477 779 HG13 VAL 104 3HG1 VAL 104 6.813 -10.720 4.191 780 HG21 VAL 104 1HG2 VAL 104 3.747 -8.323 2.757 781 HG22 VAL 104 2HG2 VAL 104 4.631 -8.948 1.365 782 HG23 VAL 104 3HG2 VAL 104 3.823 -10.061 2.469 783 H GLY 105 H GLY 105 7.526 -7.173 4.439 784 HA2 GLY 105 1HA GLY 105 8.764 -7.445 6.857 785 HA3 GLY 105 2HA GLY 105 9.225 -8.900 5.986 786 H GLU 106 H GLU 106 11.383 -7.825 6.439 787 HA GLU 106 HA GLU 106 12.011 -5.706 4.520 788 HB2 GLU 106 1HB GLU 106 13.811 -6.907 6.627 789 HB3 GLU 106 2HB GLU 106 14.082 -5.426 5.720 790 HG2 GLU 106 1HG GLU 106 13.377 -4.783 7.875 791 HG3 GLU 106 2HG GLU 106 12.012 -4.504 6.795 792 H GLY 107 H GLY 107 13.891 -5.891 3.144 793 HA2 GLY 107 1HA GLY 107 14.277 -8.669 2.241 794 HA3 GLY 107 2HA GLY 107 14.454 -7.242 1.230 795 H ILE 108 H ILE 108 16.524 -7.855 0.556 796 HA ILE 108 HA ILE 108 18.601 -7.964 2.624 797 HB ILE 108 HB ILE 108 19.990 -8.492 0.405 798 HG12 ILE 108 1HG1 ILE 108 17.753 -8.187 -0.879 799 HG13 ILE 108 2HG1 ILE 108 18.785 -9.553 -1.290 800 HG21 ILE 108 1HG2 ILE 108 19.834 -10.808 0.963 801 HG22 ILE 108 2HG2 ILE 108 19.701 -9.884 2.458 802 HG23 ILE 108 3HG2 ILE 108 18.258 -10.576 1.718 803 HD11 ILE 108 1HD1 ILE 108 16.622 -9.896 0.730 804 HD12 ILE 108 2HD1 ILE 108 16.233 -9.892 -0.990 805 HD13 ILE 108 3HD1 ILE 108 17.359 -11.085 -0.344 806 HA PRO 109 HA PRO 109 19.654 -3.762 1.635 807 HB2 PRO 109 1HB PRO 109 21.880 -3.641 3.185 808 HB3 PRO 109 2HB PRO 109 20.243 -3.559 3.847 809 HG2 PRO 109 1HG PRO 109 22.112 -5.893 3.699 810 HG3 PRO 109 2HG PRO 109 21.072 -5.376 5.039 811 HD2 PRO 109 1HD PRO 109 20.400 -7.400 3.370 812 HD3 PRO 109 2HD PRO 109 19.191 -6.334 4.114 813 H LEU 110 H LEU 110 21.411 -2.596 0.637 814 HA LEU 110 HA LEU 110 23.161 -4.353 -0.949 815 HB2 LEU 110 1HB LEU 110 21.902 -1.693 -1.534 816 HB3 LEU 110 2HB LEU 110 23.285 -2.279 -2.455 817 HG LEU 110 HG LEU 110 20.722 -3.837 -2.224 818 HD11 LEU 110 1HD1 LEU 110 19.997 -1.838 -3.211 819 HD12 LEU 110 2HD1 LEU 110 20.314 -2.922 -4.565 820 HD13 LEU 110 3HD1 LEU 110 21.478 -1.663 -4.152 821 HD21 LEU 110 1HD2 LEU 110 22.211 -5.324 -3.073 822 HD22 LEU 110 2HD2 LEU 110 23.263 -4.070 -3.729 823 HD23 LEU 110 3HD2 LEU 110 21.779 -4.509 -4.576 824 H TYR 111 H TYR 111 25.260 -3.375 -1.599 825 HA TYR 111 HA TYR 111 26.342 -1.658 0.538 826 HB2 TYR 111 1HB TYR 111 27.363 -4.212 -0.607 827 HB3 TYR 111 2HB TYR 111 28.544 -2.987 -0.156 828 HD1 TYR 111 2HD TYR 111 25.468 -4.557 1.288 829 HD2 TYR 111 1HD TYR 111 29.426 -3.147 1.963 830 HE1 TYR 111 2HE TYR 111 25.323 -5.288 3.632 831 HE2 TYR 111 1HE TYR 111 29.291 -3.876 4.309 832 HH TYR 111 HH TYR 111 27.052 -4.275 5.986 833 H GLU 112 H GLU 112 27.200 0.184 -0.147 834 HA GLU 112 HA GLU 112 28.314 0.315 -2.863 835 HB2 GLU 112 1HB GLU 112 26.186 2.021 -1.653 836 HB3 GLU 112 2HB GLU 112 27.341 2.777 -2.741 837 HG2 GLU 112 1HG GLU 112 25.486 0.495 -3.362 838 HG3 GLU 112 2HG GLU 112 25.406 2.141 -3.988 839 H SER 113 H SER 113 29.408 2.631 -3.081 840 HA SER 113 HA SER 113 30.795 3.339 -0.605 841 HB2 SER 113 1HB SER 113 32.967 3.034 -1.476 842 HB3 SER 113 2HB SER 113 32.095 1.577 -1.955 843 HG SER 113 HG SER 113 33.392 2.700 -3.622 844 H ALA 114 H ALA 114 31.335 5.461 -0.453 845 HA ALA 114 HA ALA 114 31.305 7.151 -2.820 846 HB1 ALA 114 1HB ALA 114 29.268 7.325 -0.632 847 HB2 ALA 114 2HB ALA 114 29.737 8.759 -1.547 848 HB3 ALA 114 3HB ALA 114 29.036 7.372 -2.380 849 H VAL 115 H VAL 115 33.194 8.162 -2.639 850 HA VAL 115 HA VAL 115 34.165 8.949 0.011 851 HB VAL 115 HB VAL 115 35.616 8.950 -2.640 852 HG11 VAL 115 1HG1 VAL 115 36.522 10.606 -1.116 853 HG12 VAL 115 2HG1 VAL 115 36.624 9.400 0.168 854 HG13 VAL 115 3HG1 VAL 115 37.636 9.248 -1.269 855 HG21 VAL 115 1HG2 VAL 115 35.242 6.696 -2.106 856 HG22 VAL 115 2HG2 VAL 115 36.868 7.032 -1.509 857 HG23 VAL 115 3HG2 VAL 115 35.511 6.969 -0.384 858 H THR 116 H THR 116 33.473 10.895 0.628 859 HA THR 116 HA THR 116 32.580 12.947 -1.046 860 HB THR 116 HB THR 116 33.012 14.439 0.993 861 HG1 THR 116 1HG THR 116 33.486 11.936 2.259 862 HG21 THR 116 1HG2 THR 116 31.066 12.419 0.489 863 HG22 THR 116 2HG2 THR 116 30.875 13.936 1.369 864 HG23 THR 116 3HG2 THR 116 31.374 12.477 2.224 865 H ARG 117 H ARG 117 33.534 14.688 -1.984 866 HA ARG 117 HA ARG 117 36.281 14.578 -2.598 867 HB2 ARG 117 1HB ARG 117 34.228 16.763 -2.938 868 HB3 ARG 117 2HB ARG 117 35.879 16.901 -3.529 869 HG2 ARG 117 1HG ARG 117 35.364 14.667 -4.740 870 HG3 ARG 117 2HG ARG 117 33.679 15.116 -4.467 871 HD2 ARG 117 1HD ARG 117 34.294 15.923 -6.622 872 HD3 ARG 117 2HD ARG 117 34.181 17.316 -5.547 873 HE ARG 117 HE ARG 117 36.832 16.209 -5.804 874 HH11 ARG 117 2HH1 ARG 117 34.514 18.486 -7.055 875 HH12 ARG 117 1HH1 ARG 117 35.711 19.502 -7.786 876 HH21 ARG 117 2HH2 ARG 117 38.418 17.539 -6.763 877 HH22 ARG 117 1HH2 ARG 117 37.932 18.962 -7.621 878 HA PRO 118 HA PRO 118 38.205 16.658 0.760 879 HB2 PRO 118 1HB PRO 118 40.325 17.780 -0.511 880 HB3 PRO 118 2HB PRO 118 40.208 16.047 -0.184 881 HG2 PRO 118 1HG PRO 118 39.623 17.541 -2.711 882 HG3 PRO 118 2HG PRO 118 40.484 16.006 -2.493 883 HD2 PRO 118 1HD PRO 118 37.899 16.127 -3.293 884 HD3 PRO 118 2HD PRO 118 38.532 14.794 -2.305 885 H HIS 119 H HIS 119 37.114 18.351 1.588 886 HA HIS 119 HA HIS 119 36.166 20.583 0.251 887 HB2 HIS 119 1HB HIS 119 35.766 19.726 2.696 888 HB3 HIS 119 2HB HIS 119 37.086 20.823 3.093 889 HD1 HIS 119 1HD HIS 119 36.550 23.330 1.725 890 HD2 HIS 119 2HD HIS 119 33.432 20.983 3.148 891 HE1 HIS 119 1HE HIS 119 34.590 24.889 1.965 892 HE2 HIS 119 2HE HIS 119 32.740 23.464 2.908 893 H THR 120 H THR 120 39.139 20.353 2.206 894 HA THR 120 HA THR 120 40.938 21.772 2.359 895 HB THR 120 HB THR 120 41.981 22.252 0.093 896 HG1 THR 120 1HG THR 120 40.108 20.474 -1.006 897 HG21 THR 120 1HG2 THR 120 42.988 20.335 0.628 898 HG22 THR 120 2HG2 THR 120 41.743 19.490 -0.291 899 HG23 THR 120 3HG2 THR 120 41.542 19.741 1.442 900 H SER 121 H SER 121 38.526 23.184 2.654 901 HA SER 121 HA SER 121 37.527 25.239 2.378 902 HB2 SER 121 1HB SER 121 38.960 27.037 3.066 903 HB3 SER 121 2HB SER 121 39.504 25.586 3.908 904 HG SER 121 HG SER 121 41.368 25.896 3.016 905 H GLY 122 H GLY 122 37.925 24.009 -0.120 906 HA2 GLY 122 1HA GLY 122 37.218 25.609 -2.035 907 HA3 GLY 122 2HA GLY 122 38.866 26.190 -1.852 908 HA PRO 123 HA PRO 123 38.974 21.641 -3.582 909 HB2 PRO 123 1HB PRO 123 36.701 20.880 -4.856 910 HB3 PRO 123 2HB PRO 123 36.994 20.562 -3.142 911 HG2 PRO 123 1HG PRO 123 35.376 22.735 -4.417 912 HG3 PRO 123 2HG PRO 123 34.993 21.739 -3.000 913 HD2 PRO 123 1HD PRO 123 35.932 24.270 -2.791 914 HD3 PRO 123 2HD PRO 123 36.302 23.012 -1.594 915 H SER 124 H SER 124 37.903 24.542 -4.893 916 HA SER 124 HA SER 124 37.735 24.039 -7.628 917 HB2 SER 124 1HB SER 124 37.293 26.225 -6.297 918 HB3 SER 124 2HB SER 124 39.007 26.547 -6.561 919 HG SER 124 HG SER 124 38.257 25.919 -8.889 920 H SER 125 H SER 125 39.237 24.201 -9.321 921 HA SER 125 HA SER 125 41.220 23.868 -10.386 922 HB2 SER 125 1HB SER 125 41.801 25.936 -8.950 923 HB3 SER 125 2HB SER 125 42.667 24.801 -7.914 924 HG SER 125 HG SER 125 43.213 24.517 -10.590 925 H GLY 126 H GLY 126 40.061 21.690 -9.090 926 HA2 GLY 126 1HA GLY 126 42.457 20.079 -8.595 927 HA3 GLY 126 2HA GLY 126 41.204 20.079 -7.363 Start of MODEL 2 1 H1 GLY 1 H GLY 1 31.792 28.526 -5.859 2 HA2 GLY 1 1HA GLY 1 31.697 27.648 -3.376 3 HA3 GLY 1 2HA GLY 1 31.374 29.351 -3.085 4 H SER 2 H SER 2 30.277 27.285 -5.750 5 HA SER 2 HA SER 2 27.595 28.251 -5.486 6 HB2 SER 2 1HB SER 2 27.090 26.819 -7.379 7 HB3 SER 2 2HB SER 2 28.626 27.634 -7.673 8 HG SER 2 HG SER 2 29.517 25.748 -7.807 9 H SER 3 H SER 3 25.735 26.647 -5.455 10 HA SER 3 HA SER 3 26.096 24.179 -4.058 11 HB2 SER 3 1HB SER 3 26.369 25.895 -2.228 12 HB3 SER 3 2HB SER 3 24.700 26.381 -2.525 13 HG SER 3 HG SER 3 23.994 24.555 -1.665 14 H GLY 4 H GLY 4 24.115 23.001 -3.792 15 HA2 GLY 4 1HA GLY 4 21.949 24.061 -5.499 16 HA3 GLY 4 2HA GLY 4 22.374 22.359 -5.393 17 H SER 5 H SER 5 21.216 25.070 -3.409 18 HA SER 5 HA SER 5 19.925 23.168 -1.599 19 HB2 SER 5 1HB SER 5 20.511 26.119 -1.423 20 HB3 SER 5 2HB SER 5 19.408 25.326 -0.299 21 HG SER 5 HG SER 5 21.182 23.862 0.159 22 H SER 6 H SER 6 18.251 22.488 -2.991 23 HA SER 6 HA SER 6 15.875 24.034 -2.811 24 HB2 SER 6 1HB SER 6 15.463 24.537 -5.110 25 HB3 SER 6 2HB SER 6 17.080 25.140 -4.748 26 HG SER 6 HG SER 6 17.817 23.852 -6.221 27 H GLY 7 H GLY 7 14.005 22.869 -3.459 28 HA2 GLY 7 1HA GLY 7 14.391 20.157 -4.472 29 HA3 GLY 7 2HA GLY 7 13.715 20.310 -2.857 30 HA PRO 8 HA PRO 8 10.543 22.098 -6.090 31 HB2 PRO 8 1HB PRO 8 10.835 21.097 -8.596 32 HB3 PRO 8 2HB PRO 8 11.603 22.598 -8.066 33 HG2 PRO 8 1HG PRO 8 12.769 19.850 -8.288 34 HG3 PRO 8 2HG PRO 8 13.477 21.407 -8.758 35 HD2 PRO 8 1HD PRO 8 14.129 20.147 -6.452 36 HD3 PRO 8 2HD PRO 8 14.104 21.916 -6.599 37 H ALA 9 H ALA 9 8.572 21.136 -6.308 38 HA ALA 9 HA ALA 9 8.158 18.460 -7.119 39 HB1 ALA 9 1HB ALA 9 7.231 17.823 -4.735 40 HB2 ALA 9 2HB ALA 9 8.922 17.558 -5.164 41 HB3 ALA 9 3HB ALA 9 8.465 18.967 -4.206 42 H THR 10 H THR 10 6.058 18.142 -7.642 43 HA THR 10 HA THR 10 4.122 20.168 -6.724 44 HB THR 10 HB THR 10 2.943 19.763 -8.925 45 HG1 THR 10 1HG THR 10 4.787 17.896 -9.161 46 HG21 THR 10 1HG2 THR 10 5.693 20.998 -8.867 47 HG22 THR 10 2HG2 THR 10 4.138 21.805 -8.658 48 HG23 THR 10 3HG2 THR 10 4.591 21.157 -10.234 49 H ASP 11 H ASP 11 1.786 19.346 -7.200 50 HA ASP 11 HA ASP 11 1.221 17.241 -5.492 51 HB2 ASP 11 1HB ASP 11 -0.464 18.240 -7.800 52 HB3 ASP 11 2HB ASP 11 -1.047 17.270 -6.450 53 H TRP 12 H TRP 12 2.154 15.295 -5.779 54 HA TRP 12 HA TRP 12 2.765 14.052 -8.186 55 HB2 TRP 12 1HB TRP 12 2.118 12.811 -5.505 56 HB3 TRP 12 2HB TRP 12 2.834 11.939 -6.858 57 HD1 TRP 12 HD TRP 12 3.666 14.762 -4.369 58 HE1 TRP 12 1HE TRP 12 6.226 14.951 -4.191 59 HE3 TRP 12 3HE TRP 12 4.980 11.427 -8.013 60 HZ2 TRP 12 2HZ TRP 12 8.502 13.834 -5.432 61 HZ3 TRP 12 3HZ TRP 12 7.370 11.044 -8.456 62 HH2 TRP 12 HH TRP 12 9.093 12.225 -7.191 63 H LEU 13 H LEU 13 1.212 13.957 -9.732 64 HA LEU 13 HA LEU 13 -1.479 13.131 -9.143 65 HB2 LEU 13 1HB LEU 13 -1.815 13.295 -11.571 66 HB3 LEU 13 2HB LEU 13 -1.103 14.752 -10.881 67 HG LEU 13 HG LEU 13 0.711 12.721 -12.087 68 HD11 LEU 13 1HD1 LEU 13 0.390 13.585 -14.300 69 HD12 LEU 13 2HD1 LEU 13 -0.819 14.733 -13.727 70 HD13 LEU 13 3HD1 LEU 13 -1.161 13.004 -13.695 71 HD21 LEU 13 1HD2 LEU 13 2.127 14.362 -11.596 72 HD22 LEU 13 2HD2 LEU 13 0.808 15.460 -11.188 73 HD23 LEU 13 3HD2 LEU 13 1.355 15.321 -12.860 74 H SER 14 H SER 14 -2.522 11.318 -10.284 75 HA SER 14 HA SER 14 -1.201 8.888 -9.769 76 HB2 SER 14 1HB SER 14 -3.698 9.253 -9.808 77 HB3 SER 14 2HB SER 14 -3.603 9.256 -11.569 78 HG SER 14 HG SER 14 -2.711 7.132 -9.910 79 H ALA 15 H ALA 15 -0.108 7.476 -11.039 80 HA ALA 15 HA ALA 15 0.906 8.475 -13.553 81 HB1 ALA 15 1HB ALA 15 1.836 6.719 -11.549 82 HB2 ALA 15 2HB ALA 15 1.743 5.795 -13.049 83 HB3 ALA 15 3HB ALA 15 2.688 7.283 -12.987 84 H GLU 16 H GLU 16 -0.736 5.476 -12.525 85 HA GLU 16 HA GLU 16 -2.345 5.453 -14.907 86 HB2 GLU 16 1HB GLU 16 0.016 3.653 -14.617 87 HB3 GLU 16 2HB GLU 16 -1.444 2.999 -15.345 88 HG2 GLU 16 1HG GLU 16 0.227 5.299 -16.309 89 HG3 GLU 16 2HG GLU 16 -0.066 3.756 -17.108 90 H THR 17 H THR 17 -3.772 3.484 -14.963 91 HA THR 17 HA THR 17 -4.865 3.068 -12.343 92 HB THR 17 HB THR 17 -6.377 3.304 -14.229 93 HG1 THR 17 1HG THR 17 -7.720 1.710 -13.583 94 HG21 THR 17 1HG2 THR 17 -6.009 2.331 -16.199 95 HG22 THR 17 2HG2 THR 17 -6.083 0.731 -15.460 96 HG23 THR 17 3HG2 THR 17 -4.550 1.600 -15.533 97 H PHE 18 H PHE 18 -4.508 1.427 -10.994 98 HA PHE 18 HA PHE 18 -3.494 -1.110 -12.038 99 HB2 PHE 18 1HB PHE 18 -2.068 0.728 -10.182 100 HB3 PHE 18 2HB PHE 18 -1.974 -0.997 -9.841 101 HD1 PHE 18 2HD PHE 18 -1.639 1.328 -12.741 102 HD2 PHE 18 1HD PHE 18 -0.226 -2.161 -10.754 103 HE1 PHE 18 2HE PHE 18 0.145 1.098 -14.420 104 HE2 PHE 18 1HE PHE 18 1.561 -2.396 -12.429 105 HZ PHE 18 HZ PHE 18 1.748 -0.765 -14.265 106 H GLU 19 H GLU 19 -4.377 -2.841 -11.075 107 HA GLU 19 HA GLU 19 -6.485 -2.474 -9.192 108 HB2 GLU 19 1HB GLU 19 -5.177 -4.934 -10.348 109 HB3 GLU 19 2HB GLU 19 -6.500 -5.018 -9.194 110 HG2 GLU 19 1HG GLU 19 -7.378 -5.262 -11.404 111 HG3 GLU 19 2HG GLU 19 -7.896 -3.708 -10.754 112 H SER 20 H SER 20 -6.625 -3.811 -7.168 113 HA SER 20 HA SER 20 -4.171 -3.413 -5.627 114 HB2 SER 20 1HB SER 20 -7.032 -3.898 -4.766 115 HB3 SER 20 2HB SER 20 -5.678 -3.738 -3.648 116 HG SER 20 HG SER 20 -6.512 -1.779 -5.527 117 H ASP 21 H ASP 21 -3.982 -5.551 -7.315 118 HA ASP 21 HA ASP 21 -4.214 -7.854 -5.489 119 HB2 ASP 21 1HB ASP 21 -4.713 -7.619 -8.427 120 HB3 ASP 21 2HB ASP 21 -4.092 -9.141 -7.793 121 H LEU 22 H LEU 22 -2.132 -7.381 -4.637 122 HA LEU 22 HA LEU 22 0.053 -8.175 -6.443 123 HB2 LEU 22 1HB LEU 22 -0.160 -5.832 -4.636 124 HB3 LEU 22 2HB LEU 22 1.402 -6.643 -4.734 125 HG LEU 22 HG LEU 22 1.186 -6.319 -7.274 126 HD11 LEU 22 1HD1 LEU 22 -0.589 -5.275 -8.089 127 HD12 LEU 22 2HD1 LEU 22 -0.312 -3.897 -7.025 128 HD13 LEU 22 3HD1 LEU 22 -1.292 -5.255 -6.471 129 HD21 LEU 22 1HD2 LEU 22 2.833 -4.957 -6.630 130 HD22 LEU 22 2HD2 LEU 22 1.988 -4.488 -5.155 131 HD23 LEU 22 3HD2 LEU 22 1.625 -3.673 -6.676 132 H ASP 23 H ASP 23 2.092 -8.668 -4.998 133 HA ASP 23 HA ASP 23 1.225 -10.713 -3.116 134 HB2 ASP 23 1HB ASP 23 3.058 -10.888 -5.022 135 HB3 ASP 23 2HB ASP 23 4.104 -10.248 -3.757 136 H GLU 24 H GLU 24 0.894 -10.049 -1.094 137 HA GLU 24 HA GLU 24 2.888 -8.245 0.114 138 HB2 GLU 24 1HB GLU 24 0.426 -7.440 -0.244 139 HB3 GLU 24 2HB GLU 24 0.083 -8.455 1.149 140 HG2 GLU 24 1HG GLU 24 1.765 -7.191 2.440 141 HG3 GLU 24 2HG GLU 24 1.993 -6.132 1.049 142 H THR 25 H THR 25 2.909 -11.165 -0.007 143 HA THR 25 HA THR 25 2.478 -11.864 2.816 144 HB THR 25 HB THR 25 1.382 -13.333 1.158 145 HG1 THR 25 1HG THR 25 3.447 -14.349 2.810 146 HG21 THR 25 1HG2 THR 25 3.023 -13.114 -0.652 147 HG22 THR 25 2HG2 THR 25 2.737 -14.807 -0.248 148 HG23 THR 25 3HG2 THR 25 4.203 -14.003 0.311 149 H ARG 26 H ARG 26 4.901 -11.214 0.497 150 HA ARG 26 HA ARG 26 6.956 -12.173 2.376 151 HB2 ARG 26 1HB ARG 26 8.403 -12.709 0.481 152 HB3 ARG 26 2HB ARG 26 6.901 -13.619 0.396 153 HG2 ARG 26 1HG ARG 26 6.067 -12.270 -1.352 154 HG3 ARG 26 2HG ARG 26 7.330 -11.060 -1.116 155 HD2 ARG 26 1HD ARG 26 8.982 -12.440 -2.036 156 HD3 ARG 26 2HD ARG 26 7.993 -13.889 -1.860 157 HE ARG 26 HE ARG 26 6.759 -12.033 -3.611 158 HH11 ARG 26 2HH1 ARG 26 9.353 -14.349 -3.432 159 HH12 ARG 26 1HH1 ARG 26 9.345 -14.684 -5.132 160 HH21 ARG 26 2HH2 ARG 26 6.740 -12.466 -5.851 161 HH22 ARG 26 1HH2 ARG 26 7.859 -13.611 -6.507 162 H VAL 27 H VAL 27 9.126 -11.070 1.908 163 HA VAL 27 HA VAL 27 8.622 -8.198 1.785 164 HB VAL 27 HB VAL 27 10.826 -7.910 2.736 165 HG11 VAL 27 1HG1 VAL 27 10.353 -8.657 4.863 166 HG12 VAL 27 2HG1 VAL 27 8.763 -8.748 4.102 167 HG13 VAL 27 3HG1 VAL 27 9.734 -10.208 4.296 168 HG21 VAL 27 1HG2 VAL 27 11.191 -10.641 1.771 169 HG22 VAL 27 2HG2 VAL 27 12.384 -9.379 2.082 170 HG23 VAL 27 3HG2 VAL 27 11.797 -10.384 3.407 171 HA PRO 28 HA PRO 28 10.308 -7.662 -2.240 172 HB2 PRO 28 1HB PRO 28 11.210 -5.110 -2.027 173 HB3 PRO 28 2HB PRO 28 9.493 -5.515 -2.140 174 HG2 PRO 28 1HG PRO 28 11.131 -4.867 0.280 175 HG3 PRO 28 2HG PRO 28 9.498 -4.323 -0.144 176 HD2 PRO 28 1HD PRO 28 9.954 -6.327 1.619 177 HD3 PRO 28 2HD PRO 28 8.523 -6.286 0.569 178 H GLU 29 H GLU 29 12.065 -9.006 -2.445 179 HA GLU 29 HA GLU 29 14.461 -8.909 -1.067 180 HB2 GLU 29 1HB GLU 29 13.943 -9.763 -3.919 181 HB3 GLU 29 2HB GLU 29 15.439 -10.076 -3.051 182 HG2 GLU 29 1HG GLU 29 12.870 -10.964 -1.844 183 HG3 GLU 29 2HG GLU 29 13.544 -11.879 -3.191 184 H VAL 30 H VAL 30 16.639 -8.387 -2.105 185 HA VAL 30 HA VAL 30 17.141 -5.754 -2.239 186 HB VAL 30 HB VAL 30 18.936 -7.388 -2.292 187 HG11 VAL 30 1HG1 VAL 30 19.521 -8.648 -4.236 188 HG12 VAL 30 2HG1 VAL 30 17.810 -8.927 -3.909 189 HG13 VAL 30 3HG1 VAL 30 18.294 -7.829 -5.202 190 HG21 VAL 30 1HG2 VAL 30 20.358 -6.314 -4.101 191 HG22 VAL 30 2HG2 VAL 30 18.929 -5.370 -4.522 192 HG23 VAL 30 3HG2 VAL 30 19.639 -5.225 -2.914 193 HA PRO 31 HA PRO 31 15.089 -4.164 -5.817 194 HB2 PRO 31 1HB PRO 31 16.332 -1.752 -5.899 195 HB3 PRO 31 2HB PRO 31 15.081 -2.148 -4.715 196 HG2 PRO 31 1HG PRO 31 18.058 -2.159 -4.401 197 HG3 PRO 31 2HG PRO 31 16.817 -1.554 -3.287 198 HD2 PRO 31 1HD PRO 31 18.022 -3.958 -2.961 199 HD3 PRO 31 2HD PRO 31 16.340 -3.659 -2.478 200 H SER 32 H SER 32 15.826 -2.861 -7.857 201 HA SER 32 HA SER 32 17.393 -4.478 -9.443 202 HB2 SER 32 1HB SER 32 17.094 -2.917 -11.115 203 HB3 SER 32 2HB SER 32 15.825 -2.414 -9.998 204 HG SER 32 HG SER 32 17.216 -0.695 -10.781 205 H SER 33 H SER 33 18.385 -1.333 -8.079 206 HA SER 33 HA SER 33 20.991 -2.280 -7.413 207 HB2 SER 33 1HB SER 33 22.261 -0.845 -8.974 208 HB3 SER 33 2HB SER 33 21.325 -2.071 -9.829 209 HG SER 33 HG SER 33 20.926 -0.197 -10.889 210 H LEU 34 H LEU 34 22.448 -0.081 -7.154 211 HA LEU 34 HA LEU 34 20.872 2.114 -6.117 212 HB2 LEU 34 1HB LEU 34 20.754 1.062 -4.107 213 HB3 LEU 34 2HB LEU 34 22.213 0.116 -4.394 214 HG LEU 34 HG LEU 34 23.496 2.287 -3.999 215 HD11 LEU 34 1HD1 LEU 34 20.725 3.120 -3.360 216 HD12 LEU 34 2HD1 LEU 34 22.066 4.050 -4.027 217 HD13 LEU 34 3HD1 LEU 34 22.014 3.692 -2.301 218 HD21 LEU 34 1HD2 LEU 34 22.524 0.305 -2.264 219 HD22 LEU 34 2HD2 LEU 34 22.347 1.838 -1.410 220 HD23 LEU 34 3HD2 LEU 34 23.925 1.351 -2.032 221 H HIS 35 H HIS 35 21.874 3.893 -6.756 222 HA HIS 35 HA HIS 35 24.787 3.814 -7.149 223 HB2 HIS 35 1HB HIS 35 23.764 4.396 -9.192 224 HB3 HIS 35 2HB HIS 35 22.604 5.464 -8.406 225 HD1 HIS 35 1HD HIS 35 23.101 7.802 -8.991 226 HD2 HIS 35 2HD HIS 35 26.574 5.570 -8.522 227 HE1 HIS 35 1HE HIS 35 24.993 9.415 -9.368 228 HE2 HIS 35 2HE HIS 35 27.083 8.023 -9.163 229 H VAL 36 H VAL 36 26.091 5.528 -6.414 230 HA VAL 36 HA VAL 36 24.854 7.409 -4.534 231 HB VAL 36 HB VAL 36 26.774 7.027 -2.956 232 HG11 VAL 36 1HG1 VAL 36 25.811 4.772 -2.144 233 HG12 VAL 36 2HG1 VAL 36 24.743 6.175 -2.212 234 HG13 VAL 36 3HG1 VAL 36 24.678 4.954 -3.483 235 HG21 VAL 36 1HG2 VAL 36 28.246 5.283 -3.179 236 HG22 VAL 36 2HG2 VAL 36 27.147 4.336 -4.182 237 HG23 VAL 36 3HG2 VAL 36 28.006 5.713 -4.872 238 H ARG 37 H ARG 37 25.764 9.406 -4.497 239 HA ARG 37 HA ARG 37 28.205 9.802 -6.098 240 HB2 ARG 37 1HB ARG 37 26.161 10.572 -7.284 241 HB3 ARG 37 2HB ARG 37 25.837 11.674 -5.952 242 HG2 ARG 37 1HG ARG 37 28.062 12.734 -6.414 243 HG3 ARG 37 2HG ARG 37 28.145 11.748 -7.875 244 HD2 ARG 37 1HD ARG 37 25.767 12.767 -8.315 245 HD3 ARG 37 2HD ARG 37 26.331 14.021 -7.212 246 HE ARG 37 HE ARG 37 28.355 13.889 -8.949 247 HH11 ARG 37 2HH1 ARG 37 24.912 14.049 -9.440 248 HH12 ARG 37 1HH1 ARG 37 25.036 14.890 -10.950 249 HH21 ARG 37 2HH2 ARG 37 28.530 14.995 -10.936 250 HH22 ARG 37 1HH2 ARG 37 27.094 15.426 -11.801 251 HA PRO 38 HA PRO 38 29.450 11.471 -2.114 252 HB2 PRO 38 1HB PRO 38 32.073 11.705 -2.775 253 HB3 PRO 38 2HB PRO 38 31.335 10.170 -2.300 254 HG2 PRO 38 1HG PRO 38 31.943 11.212 -5.040 255 HG3 PRO 38 2HG PRO 38 32.187 9.583 -4.382 256 HD2 PRO 38 1HD PRO 38 30.082 10.216 -5.964 257 HD3 PRO 38 2HD PRO 38 29.977 8.997 -4.678 258 H LEU 39 H LEU 39 29.275 13.543 -1.554 259 HA LEU 39 HA LEU 39 30.179 15.600 -3.460 260 HB2 LEU 39 1HB LEU 39 27.679 15.346 -1.887 261 HB3 LEU 39 2HB LEU 39 28.363 16.960 -2.063 262 HG LEU 39 HG LEU 39 28.365 16.374 -4.608 263 HD11 LEU 39 1HD1 LEU 39 27.742 14.024 -4.306 264 HD12 LEU 39 2HD1 LEU 39 26.550 14.900 -5.265 265 HD13 LEU 39 3HD1 LEU 39 26.218 14.526 -3.574 266 HD21 LEU 39 1HD2 LEU 39 26.331 17.511 -4.845 267 HD22 LEU 39 2HD2 LEU 39 26.978 18.074 -3.304 268 HD23 LEU 39 3HD2 LEU 39 25.692 16.867 -3.332 269 H VAL 40 H VAL 40 30.974 17.573 -2.543 270 HA VAL 40 HA VAL 40 32.948 17.527 -0.793 271 HB VAL 40 HB VAL 40 30.873 19.724 -0.767 272 HG11 VAL 40 1HG1 VAL 40 33.195 20.976 -0.302 273 HG12 VAL 40 2HG1 VAL 40 32.150 20.376 0.987 274 HG13 VAL 40 3HG1 VAL 40 33.543 19.428 0.466 275 HG21 VAL 40 1HG2 VAL 40 31.472 19.927 -2.918 276 HG22 VAL 40 2HG2 VAL 40 32.964 20.616 -2.277 277 HG23 VAL 40 3HG2 VAL 40 32.900 18.910 -2.718 278 H THR 41 H THR 41 29.825 18.665 0.483 279 HA THR 41 HA THR 41 30.436 17.235 2.989 280 HB THR 41 HB THR 41 29.060 19.017 4.127 281 HG1 THR 41 1HG THR 41 28.872 20.998 2.913 282 HG21 THR 41 1HG2 THR 41 30.994 20.008 4.659 283 HG22 THR 41 2HG2 THR 41 31.215 20.619 3.019 284 HG23 THR 41 3HG2 THR 41 31.743 18.988 3.431 285 H SER 42 H SER 42 28.842 16.430 0.584 286 HA SER 42 HA SER 42 26.491 15.542 2.052 287 HB2 SER 42 1HB SER 42 25.018 16.149 0.073 288 HB3 SER 42 2HB SER 42 25.576 17.506 1.052 289 HG SER 42 HG SER 42 25.772 17.491 -1.426 290 H ILE 43 H ILE 43 25.112 14.159 0.321 291 HA ILE 43 HA ILE 43 26.739 12.727 -1.572 292 HB ILE 43 HB ILE 43 25.778 11.283 0.901 293 HG12 ILE 43 1HG1 ILE 43 28.565 11.887 -0.110 294 HG13 ILE 43 2HG1 ILE 43 27.808 12.563 1.328 295 HG21 ILE 43 1HG2 ILE 43 26.204 9.299 -0.100 296 HG22 ILE 43 2HG2 ILE 43 25.830 10.222 -1.555 297 HG23 ILE 43 3HG2 ILE 43 27.509 9.953 -1.090 298 HD11 ILE 43 1HD1 ILE 43 28.255 9.618 0.995 299 HD12 ILE 43 2HD1 ILE 43 29.477 10.695 1.673 300 HD13 ILE 43 3HD1 ILE 43 27.914 10.520 2.471 301 H VAL 44 H VAL 44 25.330 12.725 -3.203 302 HA VAL 44 HA VAL 44 22.493 12.523 -2.794 303 HB VAL 44 HB VAL 44 24.101 12.464 -5.352 304 HG11 VAL 44 1HG1 VAL 44 21.294 12.000 -4.820 305 HG12 VAL 44 2HG1 VAL 44 21.538 13.372 -5.902 306 HG13 VAL 44 3HG1 VAL 44 22.208 11.793 -6.314 307 HG21 VAL 44 1HG2 VAL 44 22.862 14.654 -3.739 308 HG22 VAL 44 2HG2 VAL 44 24.451 14.586 -4.501 309 HG23 VAL 44 3HG2 VAL 44 23.009 14.821 -5.488 310 H VAL 45 H VAL 45 21.993 10.543 -1.923 311 HA VAL 45 HA VAL 45 22.978 8.105 -3.138 312 HB VAL 45 HB VAL 45 20.942 8.455 -0.933 313 HG11 VAL 45 1HG1 VAL 45 22.516 6.022 -1.773 314 HG12 VAL 45 2HG1 VAL 45 21.373 6.116 -0.431 315 HG13 VAL 45 3HG1 VAL 45 20.803 6.294 -2.091 316 HG21 VAL 45 1HG2 VAL 45 22.625 8.375 0.626 317 HG22 VAL 45 2HG2 VAL 45 23.745 7.556 -0.462 318 HG23 VAL 45 3HG2 VAL 45 23.422 9.278 -0.662 319 H SER 46 H SER 46 22.123 7.738 -5.112 320 HA SER 46 HA SER 46 19.212 7.967 -5.439 321 HB2 SER 46 1HB SER 46 19.566 8.150 -7.778 322 HB3 SER 46 2HB SER 46 20.821 9.145 -7.040 323 HG SER 46 HG SER 46 21.045 6.862 -8.539 324 H TRP 47 H TRP 47 17.993 6.202 -5.554 325 HA TRP 47 HA TRP 47 19.291 3.637 -6.196 326 HB2 TRP 47 1HB TRP 47 17.813 2.539 -4.560 327 HB3 TRP 47 2HB TRP 47 18.853 3.736 -3.793 328 HD1 TRP 47 HD TRP 47 15.190 3.055 -4.645 329 HE1 TRP 47 1HE TRP 47 13.715 4.687 -3.308 330 HE3 TRP 47 3HE TRP 47 18.848 6.054 -2.704 331 HZ2 TRP 47 2HZ TRP 47 14.057 6.946 -1.651 332 HZ3 TRP 47 3HZ TRP 47 18.190 7.928 -1.253 333 HH2 TRP 47 HH TRP 47 15.843 8.364 -0.739 334 H THR 48 H THR 48 17.254 1.954 -6.380 335 HA THR 48 HA THR 48 15.144 3.151 -8.001 336 HB THR 48 HB THR 48 15.585 1.180 -9.680 337 HG1 THR 48 1HG THR 48 18.066 1.172 -9.832 338 HG21 THR 48 1HG2 THR 48 15.616 3.532 -10.302 339 HG22 THR 48 2HG2 THR 48 16.967 2.687 -11.059 340 HG23 THR 48 3HG2 THR 48 17.243 3.704 -9.645 341 HA PRO 49 HA PRO 49 12.610 0.050 -6.203 342 HB2 PRO 49 1HB PRO 49 10.816 -0.412 -8.188 343 HB3 PRO 49 2HB PRO 49 10.824 1.071 -7.226 344 HG2 PRO 49 1HG PRO 49 11.942 0.580 -9.960 345 HG3 PRO 49 2HG PRO 49 11.019 1.972 -9.362 346 HD2 PRO 49 1HD PRO 49 13.714 2.015 -9.626 347 HD3 PRO 49 2HD PRO 49 12.864 2.923 -8.360 348 HA PRO 50 HA PRO 50 13.888 -3.985 -7.406 349 HB2 PRO 50 1HB PRO 50 11.769 -5.480 -6.604 350 HB3 PRO 50 2HB PRO 50 12.910 -4.746 -5.471 351 HG2 PRO 50 1HG PRO 50 10.199 -3.794 -6.311 352 HG3 PRO 50 2HG PRO 50 10.921 -3.830 -4.692 353 HD2 PRO 50 1HD PRO 50 10.806 -1.575 -6.186 354 HD3 PRO 50 2HD PRO 50 12.131 -1.902 -5.051 355 H GLU 51 H GLU 51 13.802 -5.344 -9.132 356 HA GLU 51 HA GLU 51 12.458 -4.678 -11.439 357 HB2 GLU 51 1HB GLU 51 13.573 -7.322 -10.517 358 HB3 GLU 51 2HB GLU 51 12.896 -7.098 -12.124 359 HG2 GLU 51 1HG GLU 51 15.311 -5.770 -10.936 360 HG3 GLU 51 2HG GLU 51 15.236 -6.858 -12.321 361 H ASN 52 H ASN 52 11.527 -7.108 -9.021 362 HA ASN 52 HA ASN 52 9.037 -7.658 -10.388 363 HB2 ASN 52 1HB ASN 52 10.555 -9.256 -8.917 364 HB3 ASN 52 2HB ASN 52 9.569 -8.611 -7.608 365 HD21 ASN 52 1HD2 ASN 52 8.581 -10.568 -7.205 366 HD22 ASN 52 2HD2 ASN 52 7.415 -11.260 -8.276 367 H GLN 53 H GLN 53 7.723 -5.895 -10.336 368 HA GLN 53 HA GLN 53 7.385 -4.250 -8.036 369 HB2 GLN 53 1HB GLN 53 6.003 -4.493 -10.683 370 HB3 GLN 53 2HB GLN 53 5.286 -3.513 -9.411 371 HG2 GLN 53 1HG GLN 53 7.902 -3.126 -10.818 372 HG3 GLN 53 2HG GLN 53 6.530 -2.024 -10.713 373 HE21 GLN 53 1HE2 GLN 53 5.955 -1.543 -8.304 374 HE22 GLN 53 2HE2 GLN 53 7.297 -1.065 -7.328 375 H ASN 54 H ASN 54 5.676 -7.014 -9.366 376 HA ASN 54 HA ASN 54 3.272 -7.076 -8.211 377 HB2 ASN 54 1HB ASN 54 5.328 -9.196 -8.587 378 HB3 ASN 54 2HB ASN 54 3.928 -9.592 -7.595 379 HD21 ASN 54 1HD2 ASN 54 4.511 -7.799 -10.605 380 HD22 ASN 54 2HD2 ASN 54 3.274 -8.592 -11.514 381 H ILE 55 H ILE 55 6.308 -7.602 -6.477 382 HA ILE 55 HA ILE 55 5.110 -8.179 -3.968 383 HB ILE 55 HB ILE 55 7.878 -7.086 -4.484 384 HG12 ILE 55 1HG1 ILE 55 7.036 -9.975 -4.201 385 HG13 ILE 55 2HG1 ILE 55 7.306 -9.187 -5.751 386 HG21 ILE 55 1HG2 ILE 55 6.673 -8.542 -2.138 387 HG22 ILE 55 2HG2 ILE 55 8.399 -8.250 -2.345 388 HG23 ILE 55 3HG2 ILE 55 7.290 -6.890 -2.171 389 HD11 ILE 55 1HD1 ILE 55 9.412 -9.848 -5.586 390 HD12 ILE 55 2HD1 ILE 55 9.605 -8.654 -4.301 391 HD13 ILE 55 3HD1 ILE 55 9.202 -10.324 -3.901 392 H VAL 56 H VAL 56 4.356 -6.872 -2.421 393 HA VAL 56 HA VAL 56 3.901 -4.131 -2.918 394 HB VAL 56 HB VAL 56 3.720 -5.645 -0.309 395 HG11 VAL 56 1HG1 VAL 56 3.719 -3.448 0.385 396 HG12 VAL 56 2HG1 VAL 56 2.966 -2.867 -1.101 397 HG13 VAL 56 3HG1 VAL 56 2.001 -3.724 0.101 398 HG21 VAL 56 1HG2 VAL 56 1.870 -5.272 -2.612 399 HG22 VAL 56 2HG2 VAL 56 2.157 -6.699 -1.616 400 HG23 VAL 56 3HG2 VAL 56 1.193 -5.362 -0.986 401 H VAL 57 H VAL 57 4.840 -2.290 -2.093 402 HA VAL 57 HA VAL 57 7.218 -2.578 -0.409 403 HB VAL 57 HB VAL 57 7.184 -1.058 -3.020 404 HG11 VAL 57 1HG1 VAL 57 9.468 -1.331 -1.075 405 HG12 VAL 57 2HG1 VAL 57 9.398 -0.331 -2.527 406 HG13 VAL 57 3HG1 VAL 57 8.396 0.067 -1.131 407 HG21 VAL 57 1HG2 VAL 57 9.042 -2.608 -3.602 408 HG22 VAL 57 2HG2 VAL 57 8.699 -3.508 -2.125 409 HG23 VAL 57 3HG2 VAL 57 7.485 -3.410 -3.401 410 H ARG 58 H ARG 58 6.820 -1.354 1.307 411 HA ARG 58 HA ARG 58 5.048 0.920 1.157 412 HB2 ARG 58 1HB ARG 58 6.466 -0.533 3.355 413 HB3 ARG 58 2HB ARG 58 5.841 1.082 3.657 414 HG2 ARG 58 1HG ARG 58 4.104 -1.076 2.517 415 HG3 ARG 58 2HG ARG 58 4.363 -0.912 4.255 416 HD2 ARG 58 1HD ARG 58 2.494 0.377 4.025 417 HD3 ARG 58 2HD ARG 58 3.733 1.602 3.754 418 HE ARG 58 HE ARG 58 3.024 0.424 1.298 419 HH11 ARG 58 2HH1 ARG 58 1.753 2.557 3.738 420 HH12 ARG 58 1HH1 ARG 58 0.730 3.420 2.637 421 HH21 ARG 58 2HH2 ARG 58 1.682 1.552 -0.161 422 HH22 ARG 58 1HH2 ARG 58 0.690 2.847 0.420 423 H GLY 59 H GLY 59 8.498 0.335 1.620 424 HA2 GLY 59 1HA GLY 59 9.252 2.829 0.548 425 HA3 GLY 59 2HA GLY 59 9.282 2.934 2.302 426 H TYR 60 H TYR 60 11.609 3.398 1.704 427 HA TYR 60 HA TYR 60 13.099 0.868 1.804 428 HB2 TYR 60 1HB TYR 60 14.072 3.264 0.248 429 HB3 TYR 60 2HB TYR 60 14.741 1.636 0.257 430 HD1 TYR 60 2HD TYR 60 12.069 3.783 -1.032 431 HD2 TYR 60 1HD TYR 60 13.712 -0.141 -1.036 432 HE1 TYR 60 2HE TYR 60 10.693 3.215 -2.991 433 HE2 TYR 60 1HE TYR 60 12.342 -0.720 -2.995 434 HH TYR 60 HH TYR 60 11.193 0.382 -4.827 435 H ALA 61 H ALA 61 15.079 0.948 2.935 436 HA ALA 61 HA ALA 61 15.321 3.270 4.731 437 HB1 ALA 61 1HB ALA 61 14.710 1.070 5.767 438 HB2 ALA 61 2HB ALA 61 16.300 0.477 5.285 439 HB3 ALA 61 3HB ALA 61 16.166 1.821 6.419 440 H ILE 62 H ILE 62 17.167 4.398 4.755 441 HA ILE 62 HA ILE 62 19.416 3.368 3.159 442 HB ILE 62 HB ILE 62 18.707 6.226 3.831 443 HG12 ILE 62 1HG1 ILE 62 18.851 5.148 1.051 444 HG13 ILE 62 2HG1 ILE 62 17.434 4.759 2.021 445 HG21 ILE 62 1HG2 ILE 62 21.212 5.166 3.283 446 HG22 ILE 62 2HG2 ILE 62 20.675 5.843 1.747 447 HG23 ILE 62 3HG2 ILE 62 20.740 6.862 3.185 448 HD11 ILE 62 1HD1 ILE 62 18.224 7.274 0.762 449 HD12 ILE 62 2HD1 ILE 62 16.626 6.666 1.193 450 HD13 ILE 62 3HD1 ILE 62 17.636 7.436 2.416 451 H GLY 63 H GLY 63 21.395 3.146 4.050 452 HA2 GLY 63 1HA GLY 63 21.782 4.182 6.788 453 HA3 GLY 63 2HA GLY 63 22.207 2.528 6.372 454 H TYR 64 H TYR 64 23.718 5.070 7.238 455 HA TYR 64 HA TYR 64 25.950 4.644 5.401 456 HB2 TYR 64 1HB TYR 64 26.371 7.088 5.264 457 HB3 TYR 64 2HB TYR 64 24.863 6.609 4.493 458 HD1 TYR 64 1HD TYR 64 22.759 6.694 6.156 459 HD2 TYR 64 2HD TYR 64 26.325 8.976 6.583 460 HE1 TYR 64 1HE TYR 64 21.536 8.339 7.514 461 HE2 TYR 64 2HE TYR 64 25.112 10.627 7.943 462 HH TYR 64 HH TYR 64 22.228 10.080 9.361 463 H GLY 65 H GLY 65 27.972 4.916 6.319 464 HA2 GLY 65 1HA GLY 65 28.548 6.212 8.726 465 HA3 GLY 65 2HA GLY 65 28.162 4.541 9.111 466 H ILE 66 H ILE 66 30.691 6.380 8.933 467 HA ILE 66 HA ILE 66 32.441 5.266 7.052 468 HB ILE 66 HB ILE 66 33.094 6.446 9.754 469 HG12 ILE 66 1HG1 ILE 66 33.381 7.825 7.101 470 HG13 ILE 66 2HG1 ILE 66 31.832 7.817 7.936 471 HG21 ILE 66 1HG2 ILE 66 35.236 6.921 8.115 472 HG22 ILE 66 2HG2 ILE 66 35.143 5.656 9.339 473 HG23 ILE 66 3HG2 ILE 66 34.758 5.286 7.658 474 HD11 ILE 66 1HD1 ILE 66 33.146 9.843 8.369 475 HD12 ILE 66 2HD1 ILE 66 32.812 8.927 9.838 476 HD13 ILE 66 3HD1 ILE 66 34.409 8.850 9.094 477 H GLY 67 H GLY 67 32.711 3.119 6.885 478 HA2 GLY 67 1HA GLY 67 34.059 1.267 7.645 479 HA3 GLY 67 2HA GLY 67 33.638 1.698 9.295 480 H SER 68 H SER 68 30.856 2.033 8.935 481 HA SER 68 HA SER 68 29.781 -0.380 7.785 482 HB2 SER 68 1HB SER 68 30.754 -1.031 10.067 483 HB3 SER 68 2HB SER 68 29.460 -0.059 10.767 484 HG SER 68 HG SER 68 27.962 -1.404 9.737 485 HA PRO 69 HA PRO 69 26.309 2.307 7.435 486 HB2 PRO 69 1HB PRO 69 24.408 0.453 6.871 487 HB3 PRO 69 2HB PRO 69 25.636 0.956 5.703 488 HG2 PRO 69 1HG PRO 69 25.567 -1.473 7.451 489 HG3 PRO 69 2HG PRO 69 26.031 -1.336 5.745 490 HD2 PRO 69 1HD PRO 69 27.852 -1.478 7.744 491 HD3 PRO 69 2HD PRO 69 28.141 -0.560 6.252 492 H HIS 70 H HIS 70 26.856 0.298 9.991 493 HA HIS 70 HA HIS 70 24.230 0.490 11.208 494 HB2 HIS 70 1HB HIS 70 26.821 -0.813 11.931 495 HB3 HIS 70 2HB HIS 70 25.654 -0.484 13.209 496 HD1 HIS 70 1HD HIS 70 23.054 -1.334 12.228 497 HD2 HIS 70 2HD HIS 70 26.506 -3.353 11.104 498 HE1 HIS 70 1HE HIS 70 22.291 -3.620 11.508 499 HE2 HIS 70 2HE HIS 70 24.406 -4.852 10.913 500 H ALA 71 H ALA 71 25.286 2.992 10.606 501 HA ALA 71 HA ALA 71 25.987 4.054 13.265 502 HB1 ALA 71 1HB ALA 71 26.444 5.673 10.815 503 HB2 ALA 71 2HB ALA 71 27.356 5.619 12.324 504 HB3 ALA 71 3HB ALA 71 27.533 4.325 11.140 505 H GLN 72 H GLN 72 24.189 4.815 10.289 506 HA GLN 72 HA GLN 72 22.134 6.095 11.930 507 HB2 GLN 72 1HB GLN 72 23.692 7.389 9.720 508 HB3 GLN 72 2HB GLN 72 22.030 7.876 10.025 509 HG2 GLN 72 1HG GLN 72 24.356 8.038 11.923 510 HG3 GLN 72 2HG GLN 72 23.486 9.375 11.172 511 HE21 GLN 72 1HE2 GLN 72 23.812 7.582 13.923 512 HE22 GLN 72 2HE2 GLN 72 22.302 7.946 14.679 513 H THR 73 H THR 73 20.083 6.348 10.823 514 HA THR 73 HA THR 73 19.772 4.781 8.371 515 HB THR 73 HB THR 73 17.988 4.314 10.762 516 HG1 THR 73 1HG THR 73 19.380 2.865 11.415 517 HG21 THR 73 1HG2 THR 73 18.229 2.319 8.612 518 HG22 THR 73 2HG2 THR 73 17.485 3.845 8.135 519 HG23 THR 73 3HG2 THR 73 16.799 2.906 9.460 520 H ILE 74 H ILE 74 18.412 5.710 6.975 521 HA ILE 74 HA ILE 74 16.526 7.728 8.004 522 HB ILE 74 HB ILE 74 18.111 7.852 5.436 523 HG12 ILE 74 1HG1 ILE 74 18.154 9.709 7.822 524 HG13 ILE 74 2HG1 ILE 74 19.326 8.421 7.560 525 HG21 ILE 74 1HG2 ILE 74 17.029 10.181 5.360 526 HG22 ILE 74 2HG2 ILE 74 16.051 8.793 4.887 527 HG23 ILE 74 3HG2 ILE 74 15.846 9.512 6.484 528 HD11 ILE 74 1HD1 ILE 74 20.526 9.725 6.242 529 HD12 ILE 74 2HD1 ILE 74 19.129 10.056 5.218 530 HD13 ILE 74 3HD1 ILE 74 19.439 11.055 6.638 531 H LYS 75 H LYS 75 14.564 6.855 7.826 532 HA LYS 75 HA LYS 75 13.930 5.174 5.516 533 HB2 LYS 75 1HB LYS 75 12.656 5.602 8.201 534 HB3 LYS 75 2HB LYS 75 11.735 4.884 6.885 535 HG2 LYS 75 1HG LYS 75 13.367 3.090 6.700 536 HG3 LYS 75 2HG LYS 75 14.328 3.819 7.988 537 HD2 LYS 75 1HD LYS 75 12.258 3.611 9.446 538 HD3 LYS 75 2HD LYS 75 11.590 2.584 8.175 539 HE2 LYS 75 1HE LYS 75 14.157 2.101 9.684 540 HE3 LYS 75 2HE LYS 75 12.633 1.253 9.938 541 HZ1 LYS 75 1HZ LYS 75 13.796 -0.170 8.569 542 HZ2 LYS 75 2HZ LYS 75 14.492 1.075 7.660 543 HZ3 LYS 75 3HZ LYS 75 12.859 0.686 7.450 544 H VAL 76 H VAL 76 12.852 5.958 3.836 545 HA VAL 76 HA VAL 76 11.019 8.217 4.238 546 HB VAL 76 HB VAL 76 11.800 9.295 2.187 547 HG11 VAL 76 1HG1 VAL 76 14.384 9.366 3.286 548 HG12 VAL 76 2HG1 VAL 76 13.050 10.481 3.588 549 HG13 VAL 76 3HG1 VAL 76 13.282 9.078 4.632 550 HG21 VAL 76 1HG2 VAL 76 13.401 6.839 1.990 551 HG22 VAL 76 2HG2 VAL 76 12.786 7.899 0.721 552 HG23 VAL 76 3HG2 VAL 76 14.261 8.325 1.588 553 H ASP 77 H ASP 77 9.401 8.438 2.585 554 HA ASP 77 HA ASP 77 8.042 6.177 1.909 555 HB2 ASP 77 1HB ASP 77 8.065 8.580 0.087 556 HB3 ASP 77 2HB ASP 77 6.727 7.487 0.433 557 H TYR 78 H TYR 78 7.738 4.984 -0.040 558 HA TYR 78 HA TYR 78 10.103 4.092 -1.235 559 HB2 TYR 78 1HB TYR 78 8.654 2.844 -2.771 560 HB3 TYR 78 2HB TYR 78 8.070 2.726 -1.115 561 HD1 TYR 78 2HD TYR 78 6.028 3.918 -0.431 562 HD2 TYR 78 1HD TYR 78 7.363 3.947 -4.471 563 HE1 TYR 78 2HE TYR 78 3.812 4.705 -1.152 564 HE2 TYR 78 1HE TYR 78 5.151 4.735 -5.203 565 HH TYR 78 HH TYR 78 3.108 6.168 -3.666 566 H LYS 79 H LYS 79 7.568 6.233 -2.510 567 HA LYS 79 HA LYS 79 8.324 6.673 -5.057 568 HB2 LYS 79 1HB LYS 79 7.493 8.726 -3.006 569 HB3 LYS 79 2HB LYS 79 7.639 9.087 -4.721 570 HG2 LYS 79 1HG LYS 79 5.961 7.335 -5.192 571 HG3 LYS 79 2HG LYS 79 5.769 7.096 -3.454 572 HD2 LYS 79 1HD LYS 79 5.473 9.841 -4.583 573 HD3 LYS 79 2HD LYS 79 4.153 8.686 -4.781 574 HE2 LYS 79 1HE LYS 79 3.556 9.643 -2.791 575 HE3 LYS 79 2HE LYS 79 4.547 8.309 -2.205 576 HZ1 LYS 79 1HZ LYS 79 5.004 11.143 -2.035 577 HZ2 LYS 79 2HZ LYS 79 6.353 10.283 -2.582 578 HZ3 LYS 79 3HZ LYS 79 5.643 9.887 -1.099 579 H GLN 80 H GLN 80 9.831 8.208 -2.228 580 HA GLN 80 HA GLN 80 11.580 9.956 -3.232 581 HB2 GLN 80 1HB GLN 80 11.997 7.856 -1.128 582 HB3 GLN 80 2HB GLN 80 13.297 8.962 -1.553 583 HG2 GLN 80 1HG GLN 80 10.661 9.552 -0.276 584 HG3 GLN 80 2HG GLN 80 12.284 9.975 0.266 585 HE21 GLN 80 1HE2 GLN 80 9.725 10.735 -1.983 586 HE22 GLN 80 2HE2 GLN 80 10.275 12.324 -2.376 587 H ARG 81 H ARG 81 12.739 9.913 -5.037 588 HA ARG 81 HA ARG 81 13.728 7.457 -6.156 589 HB2 ARG 81 1HB ARG 81 13.037 8.997 -7.776 590 HB3 ARG 81 2HB ARG 81 13.831 10.343 -6.970 591 HG2 ARG 81 1HG ARG 81 14.987 9.746 -9.018 592 HG3 ARG 81 2HG ARG 81 16.009 9.451 -7.610 593 HD2 ARG 81 1HD ARG 81 15.924 7.181 -7.851 594 HD3 ARG 81 2HD ARG 81 14.329 7.213 -8.603 595 HE ARG 81 HE ARG 81 16.886 7.430 -9.927 596 HH11 ARG 81 2HH1 ARG 81 13.453 7.965 -10.141 597 HH12 ARG 81 1HH1 ARG 81 13.428 7.958 -11.873 598 HH21 ARG 81 2HH2 ARG 81 16.866 7.419 -12.208 599 HH22 ARG 81 1HH2 ARG 81 15.370 7.646 -13.048 600 H TYR 82 H TYR 82 15.100 10.242 -4.490 601 HA TYR 82 HA TYR 82 17.433 8.709 -3.775 602 HB2 TYR 82 1HB TYR 82 19.087 10.037 -4.821 603 HB3 TYR 82 2HB TYR 82 17.905 9.696 -6.080 604 HD1 TYR 82 2HD TYR 82 16.368 11.469 -6.849 605 HD2 TYR 82 1HD TYR 82 19.461 12.271 -4.039 606 HE1 TYR 82 2HE TYR 82 16.131 13.878 -7.284 607 HE2 TYR 82 1HE TYR 82 19.231 14.682 -4.466 608 HH TYR 82 HH TYR 82 16.927 15.911 -6.872 609 H TYR 83 H TYR 83 18.860 9.920 -2.287 610 HA TYR 83 HA TYR 83 17.497 12.161 -0.960 611 HB2 TYR 83 1HB TYR 83 17.081 9.981 0.230 612 HB3 TYR 83 2HB TYR 83 18.813 9.882 0.526 613 HD1 TYR 83 1HD TYR 83 15.709 11.631 1.386 614 HD2 TYR 83 2HD TYR 83 19.886 11.338 2.139 615 HE1 TYR 83 1HE TYR 83 15.431 12.986 3.420 616 HE2 TYR 83 2HE TYR 83 19.620 12.690 4.176 617 HH TYR 83 HH TYR 83 16.428 13.714 5.298 618 H THR 84 H THR 84 18.807 13.734 -0.133 619 HA THR 84 HA THR 84 21.658 13.502 -0.801 620 HB THR 84 HB THR 84 20.052 16.003 -0.241 621 HG1 THR 84 1HG THR 84 19.833 16.185 -2.396 622 HG21 THR 84 1HG2 THR 84 22.079 17.045 -1.411 623 HG22 THR 84 2HG2 THR 84 22.898 15.518 -1.081 624 HG23 THR 84 3HG2 THR 84 22.295 16.502 0.252 625 H ILE 85 H ILE 85 22.486 12.508 1.011 626 HA ILE 85 HA ILE 85 21.825 13.244 3.669 627 HB ILE 85 HB ILE 85 24.322 11.847 2.702 628 HG12 ILE 85 1HG1 ILE 85 21.749 10.612 3.701 629 HG13 ILE 85 2HG1 ILE 85 22.157 10.777 1.996 630 HG21 ILE 85 1HG2 ILE 85 23.031 12.110 5.405 631 HG22 ILE 85 2HG2 ILE 85 24.213 10.857 5.029 632 HG23 ILE 85 3HG2 ILE 85 24.668 12.557 4.927 633 HD11 ILE 85 1HD1 ILE 85 23.698 9.196 4.040 634 HD12 ILE 85 2HD1 ILE 85 22.635 8.542 2.793 635 HD13 ILE 85 3HD1 ILE 85 24.124 9.370 2.338 636 H GLU 86 H GLU 86 22.342 15.067 4.665 637 HA GLU 86 HA GLU 86 24.737 16.532 3.795 638 HB2 GLU 86 1HB GLU 86 22.308 17.491 5.319 639 HB3 GLU 86 2HB GLU 86 23.694 18.490 4.905 640 HG2 GLU 86 1HG GLU 86 22.313 17.066 2.703 641 HG3 GLU 86 2HG GLU 86 21.496 18.444 3.439 642 H ASN 87 H ASN 87 25.505 18.022 5.767 643 HA ASN 87 HA ASN 87 26.585 18.132 7.767 644 HB2 ASN 87 1HB ASN 87 24.868 15.818 8.674 645 HB3 ASN 87 2HB ASN 87 25.663 17.026 9.680 646 HD21 ASN 87 1HD2 ASN 87 22.826 16.144 8.152 647 HD22 ASN 87 2HD2 ASN 87 21.971 17.638 8.304 648 H LEU 88 H LEU 88 27.810 16.737 5.741 649 HA LEU 88 HA LEU 88 29.112 14.513 7.172 650 HB2 LEU 88 1HB LEU 88 28.807 14.901 4.198 651 HB3 LEU 88 2HB LEU 88 29.666 13.574 4.976 652 HG LEU 88 HG LEU 88 26.713 14.087 5.302 653 HD11 LEU 88 1HD1 LEU 88 27.058 13.583 3.001 654 HD12 LEU 88 2HD1 LEU 88 26.476 12.113 3.782 655 HD13 LEU 88 3HD1 LEU 88 28.188 12.285 3.392 656 HD21 LEU 88 1HD2 LEU 88 27.402 11.399 5.716 657 HD22 LEU 88 2HD2 LEU 88 26.877 12.576 6.920 658 HD23 LEU 88 3HD2 LEU 88 28.597 12.353 6.595 659 H ASP 89 H ASP 89 31.406 14.142 6.446 660 HA ASP 89 HA ASP 89 32.752 16.740 6.112 661 HB2 ASP 89 1HB ASP 89 33.132 15.550 8.282 662 HB3 ASP 89 2HB ASP 89 33.879 14.237 7.378 663 HA PRO 90 HA PRO 90 34.273 15.280 2.234 664 HB2 PRO 90 1HB PRO 90 36.261 17.099 1.905 665 HB3 PRO 90 2HB PRO 90 34.552 17.496 1.693 666 HG2 PRO 90 1HG PRO 90 36.331 17.983 4.051 667 HG3 PRO 90 2HG PRO 90 35.134 19.061 3.311 668 HD2 PRO 90 1HD PRO 90 34.625 17.646 5.562 669 HD3 PRO 90 2HD PRO 90 33.365 18.033 4.372 670 H SER 91 H SER 91 36.192 14.375 1.271 671 HA SER 91 HA SER 91 38.035 13.042 1.259 672 HB2 SER 91 1HB SER 91 38.686 15.094 3.307 673 HB3 SER 91 2HB SER 91 39.689 13.644 3.288 674 HG SER 91 HG SER 91 39.642 14.200 0.843 675 H SER 92 H SER 92 35.820 11.906 2.353 676 HA SER 92 HA SER 92 37.004 9.991 4.182 677 HB2 SER 92 1HB SER 92 34.491 11.503 4.938 678 HB3 SER 92 2HB SER 92 35.204 10.167 5.841 679 HG SER 92 HG SER 92 37.147 11.843 5.564 680 H HIS 93 H HIS 93 36.270 7.982 3.814 681 HA HIS 93 HA HIS 93 34.382 7.581 1.676 682 HB2 HIS 93 1HB HIS 93 36.133 6.053 1.569 683 HB3 HIS 93 2HB HIS 93 36.150 5.796 3.311 684 HD1 HIS 93 1HD HIS 93 35.393 3.523 3.870 685 HD2 HIS 93 2HD HIS 93 33.403 5.024 0.546 686 HE1 HIS 93 1HE HIS 93 33.800 1.710 3.165 687 HE2 HIS 93 2HE HIS 93 32.668 2.607 1.101 688 H TYR 94 H TYR 94 32.294 7.027 1.827 689 HA TYR 94 HA TYR 94 31.241 6.323 4.488 690 HB2 TYR 94 1HB TYR 94 30.147 8.231 2.434 691 HB3 TYR 94 2HB TYR 94 29.103 7.493 3.643 692 HD1 TYR 94 2HD TYR 94 31.825 9.876 3.068 693 HD2 TYR 94 1HD TYR 94 29.276 8.113 5.983 694 HE1 TYR 94 2HE TYR 94 32.465 11.623 4.677 695 HE2 TYR 94 1HE TYR 94 29.908 9.856 7.599 696 HH TYR 94 HH TYR 94 32.010 11.418 7.894 697 H VAL 95 H VAL 95 30.350 4.379 4.535 698 HA VAL 95 HA VAL 95 29.708 3.000 2.068 699 HB VAL 95 HB VAL 95 29.548 2.049 4.932 700 HG11 VAL 95 1HG1 VAL 95 28.165 0.547 3.931 701 HG12 VAL 95 2HG1 VAL 95 28.879 0.783 2.335 702 HG13 VAL 95 3HG1 VAL 95 29.708 -0.209 3.536 703 HG21 VAL 95 1HG2 VAL 95 31.675 1.892 2.828 704 HG22 VAL 95 2HG2 VAL 95 31.816 2.373 4.519 705 HG23 VAL 95 3HG2 VAL 95 31.571 0.677 4.102 706 H ILE 96 H ILE 96 27.796 3.395 1.162 707 HA ILE 96 HA ILE 96 25.468 3.886 2.875 708 HB ILE 96 HB ILE 96 25.868 4.340 -0.082 709 HG12 ILE 96 1HG1 ILE 96 25.356 6.752 0.772 710 HG13 ILE 96 2HG1 ILE 96 25.818 6.108 2.344 711 HG21 ILE 96 1HG2 ILE 96 23.669 4.453 -0.354 712 HG22 ILE 96 2HG2 ILE 96 23.466 3.867 1.296 713 HG23 ILE 96 3HG2 ILE 96 23.527 5.600 0.978 714 HD11 ILE 96 1HD1 ILE 96 27.845 5.289 0.646 715 HD12 ILE 96 2HD1 ILE 96 27.467 6.932 0.128 716 HD13 ILE 96 3HD1 ILE 96 27.904 6.615 1.807 717 H THR 97 H THR 97 23.763 2.533 2.965 718 HA THR 97 HA THR 97 23.728 0.228 1.133 719 HB THR 97 HB THR 97 22.869 -1.154 3.042 720 HG1 THR 97 1HG THR 97 22.322 0.061 4.706 721 HG21 THR 97 1HG2 THR 97 24.969 -1.851 3.580 722 HG22 THR 97 2HG2 THR 97 25.544 -0.217 3.914 723 HG23 THR 97 3HG2 THR 97 25.393 -0.776 2.248 724 H LEU 98 H LEU 98 21.715 -0.532 0.516 725 HA LEU 98 HA LEU 98 19.378 0.969 1.481 726 HB2 LEU 98 1HB LEU 98 19.919 1.977 -0.601 727 HB3 LEU 98 2HB LEU 98 20.167 0.410 -1.368 728 HG LEU 98 HG LEU 98 17.637 0.060 -0.871 729 HD11 LEU 98 1HD1 LEU 98 18.058 2.865 -0.153 730 HD12 LEU 98 2HD1 LEU 98 16.743 1.767 0.266 731 HD13 LEU 98 3HD1 LEU 98 16.737 2.598 -1.290 732 HD21 LEU 98 1HD2 LEU 98 18.868 1.755 -3.012 733 HD22 LEU 98 2HD2 LEU 98 17.134 1.434 -2.999 734 HD23 LEU 98 3HD2 LEU 98 18.278 0.095 -3.102 735 H LYS 99 H LYS 99 17.637 -0.240 1.936 736 HA LYS 99 HA LYS 99 17.481 -2.966 0.863 737 HB2 LYS 99 1HB LYS 99 16.929 -3.880 3.039 738 HB3 LYS 99 2HB LYS 99 18.493 -3.080 3.117 739 HG2 LYS 99 1HG LYS 99 17.476 -1.146 4.175 740 HG3 LYS 99 2HG LYS 99 15.885 -1.901 4.055 741 HD2 LYS 99 1HD LYS 99 16.456 -2.432 6.218 742 HD3 LYS 99 2HD LYS 99 17.056 -3.853 5.358 743 HE2 LYS 99 1HE LYS 99 18.761 -3.171 6.871 744 HE3 LYS 99 2HE LYS 99 19.293 -2.724 5.251 745 HZ1 LYS 99 1HZ LYS 99 19.550 -1.022 7.120 746 HZ2 LYS 99 2HZ LYS 99 17.882 -0.786 6.973 747 HZ3 LYS 99 3HZ LYS 99 18.897 -0.488 5.653 748 H ALA 100 H ALA 100 15.531 -3.424 0.079 749 HA ALA 100 HA ALA 100 13.380 -1.521 0.408 750 HB1 ALA 100 1HB ALA 100 14.147 -3.425 -1.555 751 HB2 ALA 100 2HB ALA 100 12.507 -3.805 -1.027 752 HB3 ALA 100 3HB ALA 100 12.884 -2.197 -1.644 753 H PHE 101 H PHE 101 11.844 -1.652 1.897 754 HA PHE 101 HA PHE 101 11.241 -4.288 3.069 755 HB2 PHE 101 1HB PHE 101 10.945 -3.295 5.216 756 HB3 PHE 101 2HB PHE 101 12.475 -2.687 4.591 757 HD1 PHE 101 2HD PHE 101 12.676 -0.369 3.837 758 HD2 PHE 101 1HD PHE 101 9.080 -1.845 5.571 759 HE1 PHE 101 2HE PHE 101 11.904 1.940 4.193 760 HE2 PHE 101 1HE PHE 101 8.302 0.461 5.929 761 HZ PHE 101 HZ PHE 101 9.715 2.357 5.241 762 H ASN 102 H ASN 102 9.040 -4.296 4.170 763 HA ASN 102 HA ASN 102 7.058 -2.474 3.178 764 HB2 ASN 102 1HB ASN 102 5.817 -3.984 1.791 765 HB3 ASN 102 2HB ASN 102 7.482 -3.994 1.215 766 HD21 ASN 102 1HD2 ASN 102 5.805 -6.018 0.545 767 HD22 ASN 102 2HD2 ASN 102 6.268 -7.469 1.360 768 H ASN 103 H ASN 103 4.764 -3.742 3.568 769 HA ASN 103 HA ASN 103 4.434 -3.861 6.310 770 HB2 ASN 103 1HB ASN 103 2.818 -4.769 3.976 771 HB3 ASN 103 2HB ASN 103 2.341 -5.338 5.573 772 HD21 ASN 103 1HD2 ASN 103 0.504 -4.198 5.829 773 HD22 ASN 103 2HD2 ASN 103 0.429 -2.473 5.888 774 H VAL 104 H VAL 104 5.264 -6.417 4.055 775 HA VAL 104 HA VAL 104 4.856 -8.606 5.796 776 HB VAL 104 HB VAL 104 6.725 -8.350 3.436 777 HG11 VAL 104 1HG1 VAL 104 6.787 -10.303 5.362 778 HG12 VAL 104 2HG1 VAL 104 5.746 -11.009 4.125 779 HG13 VAL 104 3HG1 VAL 104 7.374 -10.472 3.708 780 HG21 VAL 104 1HG2 VAL 104 4.577 -8.054 2.589 781 HG22 VAL 104 2HG2 VAL 104 4.850 -9.786 2.398 782 HG23 VAL 104 3HG2 VAL 104 3.864 -9.191 3.733 783 H GLY 105 H GLY 105 7.793 -6.772 4.957 784 HA2 GLY 105 1HA GLY 105 8.885 -6.854 7.534 785 HA3 GLY 105 2HA GLY 105 9.544 -8.210 6.631 786 H GLU 106 H GLU 106 11.552 -7.712 6.055 787 HA GLU 106 HA GLU 106 11.999 -5.131 4.717 788 HB2 GLU 106 1HB GLU 106 13.776 -6.449 6.773 789 HB3 GLU 106 2HB GLU 106 14.288 -5.112 5.753 790 HG2 GLU 106 1HG GLU 106 12.230 -3.890 6.714 791 HG3 GLU 106 2HG GLU 106 12.279 -5.132 7.964 792 H GLY 107 H GLY 107 13.841 -5.115 3.246 793 HA2 GLY 107 1HA GLY 107 14.170 -7.751 1.985 794 HA3 GLY 107 2HA GLY 107 14.377 -6.201 1.183 795 H ILE 108 H ILE 108 16.354 -7.596 0.541 796 HA ILE 108 HA ILE 108 18.462 -7.700 2.512 797 HB ILE 108 HB ILE 108 18.863 -8.093 -0.439 798 HG12 ILE 108 1HG1 ILE 108 16.854 -9.386 0.348 799 HG13 ILE 108 2HG1 ILE 108 18.170 -10.383 -0.264 800 HG21 ILE 108 1HG2 ILE 108 20.775 -8.031 1.215 801 HG22 ILE 108 2HG2 ILE 108 20.128 -9.530 1.879 802 HG23 ILE 108 3HG2 ILE 108 20.672 -9.471 0.203 803 HD11 ILE 108 1HD1 ILE 108 17.056 -11.224 1.808 804 HD12 ILE 108 2HD1 ILE 108 18.805 -11.029 1.926 805 HD13 ILE 108 3HD1 ILE 108 17.733 -9.834 2.656 806 HA PRO 109 HA PRO 109 19.857 -3.557 1.746 807 HB2 PRO 109 1HB PRO 109 22.144 -3.727 3.199 808 HB3 PRO 109 2HB PRO 109 20.547 -3.558 3.937 809 HG2 PRO 109 1HG PRO 109 22.204 -6.021 3.551 810 HG3 PRO 109 2HG PRO 109 21.265 -5.515 4.968 811 HD2 PRO 109 1HD PRO 109 20.359 -7.356 3.200 812 HD3 PRO 109 2HD PRO 109 19.274 -6.249 4.067 813 H LEU 110 H LEU 110 21.701 -2.472 0.783 814 HA LEU 110 HA LEU 110 23.209 -4.248 -1.016 815 HB2 LEU 110 1HB LEU 110 22.199 -1.441 -1.333 816 HB3 LEU 110 2HB LEU 110 23.479 -2.082 -2.361 817 HG LEU 110 HG LEU 110 20.808 -3.439 -2.132 818 HD11 LEU 110 1HD1 LEU 110 19.796 -1.973 -3.472 819 HD12 LEU 110 2HD1 LEU 110 21.210 -1.818 -4.514 820 HD13 LEU 110 3HD1 LEU 110 21.092 -0.858 -3.039 821 HD21 LEU 110 1HD2 LEU 110 21.891 -4.923 -3.389 822 HD22 LEU 110 2HD2 LEU 110 23.268 -3.844 -3.610 823 HD23 LEU 110 3HD2 LEU 110 21.868 -3.718 -4.676 824 H TYR 111 H TYR 111 25.264 -2.942 -1.858 825 HA TYR 111 HA TYR 111 26.610 -1.651 0.400 826 HB2 TYR 111 1HB TYR 111 27.431 -4.186 -0.962 827 HB3 TYR 111 2HB TYR 111 28.675 -3.092 -0.365 828 HD1 TYR 111 2HD TYR 111 25.508 -4.695 0.813 829 HD2 TYR 111 1HD TYR 111 29.451 -3.424 1.781 830 HE1 TYR 111 2HE TYR 111 25.255 -5.647 3.067 831 HE2 TYR 111 1HE TYR 111 29.210 -4.374 4.037 832 HH TYR 111 HH TYR 111 27.947 -5.712 5.346 833 H GLU 112 H GLU 112 27.289 0.247 -0.319 834 HA GLU 112 HA GLU 112 28.489 0.387 -3.003 835 HB2 GLU 112 1HB GLU 112 26.380 2.113 -1.782 836 HB3 GLU 112 2HB GLU 112 27.550 2.856 -2.865 837 HG2 GLU 112 1HG GLU 112 25.587 0.670 -3.479 838 HG3 GLU 112 2HG GLU 112 25.674 2.288 -4.175 839 H SER 113 H SER 113 29.660 2.640 -3.198 840 HA SER 113 HA SER 113 31.008 3.328 -0.693 841 HB2 SER 113 1HB SER 113 33.224 3.222 -1.854 842 HB3 SER 113 2HB SER 113 32.459 1.647 -1.647 843 HG SER 113 HG SER 113 32.638 1.453 -3.721 844 H ALA 114 H ALA 114 31.454 5.447 -0.502 845 HA ALA 114 HA ALA 114 31.540 7.132 -2.886 846 HB1 ALA 114 1HB ALA 114 29.961 8.754 -1.858 847 HB2 ALA 114 2HB ALA 114 29.215 7.219 -2.304 848 HB3 ALA 114 3HB ALA 114 29.602 7.553 -0.617 849 H VAL 115 H VAL 115 33.393 8.198 -2.719 850 HA VAL 115 HA VAL 115 34.418 8.902 -0.064 851 HB VAL 115 HB VAL 115 35.805 8.942 -2.749 852 HG11 VAL 115 1HG1 VAL 115 37.672 9.783 -1.774 853 HG12 VAL 115 2HG1 VAL 115 36.479 10.516 -0.700 854 HG13 VAL 115 3HG1 VAL 115 37.322 9.046 -0.211 855 HG21 VAL 115 1HG2 VAL 115 37.076 7.123 -1.107 856 HG22 VAL 115 2HG2 VAL 115 35.366 6.862 -0.765 857 HG23 VAL 115 3HG2 VAL 115 35.963 6.739 -2.420 858 H THR 116 H THR 116 33.337 10.753 0.483 859 HA THR 116 HA THR 116 32.477 12.846 -0.996 860 HB THR 116 HB THR 116 33.037 14.339 0.974 861 HG1 THR 116 1HG THR 116 33.899 13.293 2.801 862 HG21 THR 116 1HG2 THR 116 31.175 13.615 2.037 863 HG22 THR 116 2HG2 THR 116 31.765 11.957 2.162 864 HG23 THR 116 3HG2 THR 116 31.056 12.530 0.653 865 H ARG 117 H ARG 117 33.290 14.675 -1.942 866 HA ARG 117 HA ARG 117 35.784 14.642 -3.111 867 HB2 ARG 117 1HB ARG 117 33.888 16.894 -2.498 868 HB3 ARG 117 2HB ARG 117 35.422 17.195 -3.303 869 HG2 ARG 117 1HG ARG 117 34.805 15.965 -5.193 870 HG3 ARG 117 2HG ARG 117 33.473 15.172 -4.348 871 HD2 ARG 117 1HD ARG 117 32.227 17.223 -4.273 872 HD3 ARG 117 2HD ARG 117 33.593 18.128 -4.924 873 HE ARG 117 HE ARG 117 31.647 16.708 -6.411 874 HH11 ARG 117 2HH1 ARG 117 35.046 17.457 -6.348 875 HH12 ARG 117 1HH1 ARG 117 35.243 17.311 -8.063 876 HH21 ARG 117 2HH2 ARG 117 31.893 16.512 -8.670 877 HH22 ARG 117 1HH2 ARG 117 33.448 16.775 -9.383 878 HA PRO 118 HA PRO 118 38.748 15.895 -0.128 879 HB2 PRO 118 1HB PRO 118 40.433 17.409 -1.624 880 HB3 PRO 118 2HB PRO 118 40.340 15.650 -1.767 881 HG2 PRO 118 1HG PRO 118 39.087 17.759 -3.483 882 HG3 PRO 118 2HG PRO 118 39.900 16.260 -3.967 883 HD2 PRO 118 1HD PRO 118 37.203 16.491 -3.878 884 HD3 PRO 118 2HD PRO 118 38.042 14.965 -3.536 885 H HIS 119 H HIS 119 36.628 18.091 -1.517 886 HA HIS 119 HA HIS 119 36.022 20.247 -1.081 887 HB2 HIS 119 1HB HIS 119 35.443 19.258 1.063 888 HB3 HIS 119 2HB HIS 119 37.098 19.454 1.633 889 HD1 HIS 119 1HD HIS 119 34.820 22.003 -0.034 890 HD2 HIS 119 2HD HIS 119 36.901 21.395 3.511 891 HE1 HIS 119 1HE HIS 119 34.520 24.118 1.294 892 HE2 HIS 119 2HE HIS 119 35.859 23.760 3.397 893 H THR 120 H THR 120 38.430 20.145 -2.384 894 HA THR 120 HA THR 120 40.064 22.190 -1.033 895 HB THR 120 HB THR 120 40.909 20.389 -3.309 896 HG1 THR 120 1HG THR 120 40.916 20.051 -0.544 897 HG21 THR 120 1HG2 THR 120 42.063 22.729 -2.105 898 HG22 THR 120 2HG2 THR 120 42.647 21.776 -3.469 899 HG23 THR 120 3HG2 THR 120 43.102 21.333 -1.824 900 H SER 121 H SER 121 38.879 23.987 -1.696 901 HA SER 121 HA SER 121 38.091 24.449 -4.380 902 HB2 SER 121 1HB SER 121 38.450 26.330 -2.039 903 HB3 SER 121 2HB SER 121 37.787 26.826 -3.597 904 HG SER 121 HG SER 121 36.081 25.409 -3.289 905 H GLY 122 H GLY 122 40.679 25.965 -2.438 906 HA2 GLY 122 1HA GLY 122 42.928 26.044 -3.436 907 HA3 GLY 122 2HA GLY 122 42.144 26.405 -4.966 908 HA PRO 123 HA PRO 123 43.516 30.388 -2.994 909 HB2 PRO 123 1HB PRO 123 44.756 31.345 -5.211 910 HB3 PRO 123 2HB PRO 123 45.566 30.310 -4.029 911 HG2 PRO 123 1HG PRO 123 44.352 29.583 -6.667 912 HG3 PRO 123 2HG PRO 123 45.888 29.052 -5.958 913 HD2 PRO 123 1HD PRO 123 43.657 27.518 -5.917 914 HD3 PRO 123 2HD PRO 123 44.871 27.474 -4.621 915 H SER 124 H SER 124 42.198 32.102 -3.022 916 HA SER 124 HA SER 124 40.081 32.248 -4.963 917 HB2 SER 124 1HB SER 124 39.357 34.235 -3.618 918 HB3 SER 124 2HB SER 124 39.549 32.764 -2.664 919 HG SER 124 HG SER 124 40.576 34.347 -1.539 920 H SER 125 H SER 125 39.806 33.701 -6.585 921 HA SER 125 HA SER 125 41.373 36.066 -6.867 922 HB2 SER 125 1HB SER 125 42.521 35.347 -8.989 923 HB3 SER 125 2HB SER 125 43.137 34.571 -7.529 924 HG SER 125 HG SER 125 41.956 33.463 -9.710 925 H GLY 126 H GLY 126 41.057 36.986 -9.184 926 HA2 GLY 126 1HA GLY 126 38.922 36.110 -10.792 927 HA3 GLY 126 2HA GLY 126 38.302 37.271 -9.627 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -21.065 -22.222 22.546 2 HA2 GLY 1 1HA GLY 1 -22.200 -20.566 21.050 3 HA3 GLY 1 2HA GLY 1 -23.366 -20.378 22.351 4 H SER 2 H SER 2 -23.104 -18.458 23.264 5 HA SER 2 HA SER 2 -22.151 -16.661 24.283 6 HB2 SER 2 1HB SER 2 -19.830 -18.567 24.668 7 HB3 SER 2 2HB SER 2 -20.005 -17.009 25.473 8 HG SER 2 HG SER 2 -20.750 -18.945 26.650 9 H SER 3 H SER 3 -22.035 -16.713 21.521 10 HA SER 3 HA SER 3 -19.426 -16.164 20.523 11 HB2 SER 3 1HB SER 3 -21.534 -16.896 19.215 12 HB3 SER 3 2HB SER 3 -21.966 -15.186 19.234 13 HG SER 3 HG SER 3 -19.639 -16.369 18.126 14 H GLY 4 H GLY 4 -19.184 -13.961 19.246 15 HA2 GLY 4 1HA GLY 4 -20.130 -11.709 20.863 16 HA3 GLY 4 2HA GLY 4 -18.394 -11.957 20.750 17 H SER 5 H SER 5 -18.271 -9.847 19.794 18 HA SER 5 HA SER 5 -18.655 -9.956 16.905 19 HB2 SER 5 1HB SER 5 -20.629 -8.773 18.168 20 HB3 SER 5 2HB SER 5 -19.485 -7.439 18.307 21 HG SER 5 HG SER 5 -20.474 -8.651 15.947 22 H SER 6 H SER 6 -17.414 -8.339 15.752 23 HA SER 6 HA SER 6 -15.208 -7.209 17.344 24 HB2 SER 6 1HB SER 6 -13.649 -7.772 15.546 25 HB3 SER 6 2HB SER 6 -14.458 -9.228 16.127 26 HG SER 6 HG SER 6 -15.304 -9.489 14.224 27 H GLY 7 H GLY 7 -14.264 -5.283 16.545 28 HA2 GLY 7 1HA GLY 7 -16.152 -3.594 15.155 29 HA3 GLY 7 2HA GLY 7 -14.617 -3.095 15.851 30 HA PRO 8 HA PRO 8 -14.492 -3.882 11.099 31 HB2 PRO 8 1HB PRO 8 -15.228 -1.452 10.138 32 HB3 PRO 8 2HB PRO 8 -16.377 -2.768 10.404 33 HG2 PRO 8 1HG PRO 8 -15.776 -0.401 12.135 34 HG3 PRO 8 2HG PRO 8 -17.346 -1.113 11.719 35 HD2 PRO 8 1HD PRO 8 -16.112 -1.586 14.082 36 HD3 PRO 8 2HD PRO 8 -17.140 -2.793 13.283 37 H ALA 9 H ALA 9 -12.481 -3.649 10.358 38 HA ALA 9 HA ALA 9 -10.595 -1.944 11.611 39 HB1 ALA 9 1HB ALA 9 -10.326 -3.417 8.993 40 HB2 ALA 9 2HB ALA 9 -9.013 -2.785 9.988 41 HB3 ALA 9 3HB ALA 9 -10.012 -4.109 10.585 42 H THR 10 H THR 10 -9.579 -0.092 10.876 43 HA THR 10 HA THR 10 -11.149 1.719 9.388 44 HB THR 10 HB THR 10 -9.504 2.408 11.122 45 HG1 THR 10 1HG THR 10 -10.210 3.683 9.057 46 HG21 THR 10 1HG2 THR 10 -7.191 2.565 9.439 47 HG22 THR 10 2HG2 THR 10 -7.724 0.887 9.546 48 HG23 THR 10 3HG2 THR 10 -7.365 1.794 11.015 49 H ASP 11 H ASP 11 -10.725 2.706 7.364 50 HA ASP 11 HA ASP 11 -9.081 1.070 5.544 51 HB2 ASP 11 1HB ASP 11 -11.713 2.444 4.956 52 HB3 ASP 11 2HB ASP 11 -10.713 1.625 3.759 53 H TRP 12 H TRP 12 -7.280 2.391 5.637 54 HA TRP 12 HA TRP 12 -6.933 5.034 5.722 55 HB2 TRP 12 1HB TRP 12 -5.520 3.421 3.598 56 HB3 TRP 12 2HB TRP 12 -4.904 4.809 4.490 57 HD1 TRP 12 HD TRP 12 -4.012 4.382 6.971 58 HE1 TRP 12 1HE TRP 12 -3.306 2.235 8.203 59 HE3 TRP 12 3HE TRP 12 -6.062 0.923 3.814 60 HZ2 TRP 12 2HZ TRP 12 -3.581 -0.555 7.879 61 HZ3 TRP 12 3HZ TRP 12 -5.795 -1.464 4.346 62 HH2 TRP 12 HH TRP 12 -4.580 -2.186 6.337 63 H LEU 13 H LEU 13 -7.230 6.835 4.504 64 HA LEU 13 HA LEU 13 -9.047 6.621 2.267 65 HB2 LEU 13 1HB LEU 13 -7.770 9.079 3.454 66 HB3 LEU 13 2HB LEU 13 -9.150 9.033 2.358 67 HG LEU 13 HG LEU 13 -9.208 7.819 5.113 68 HD11 LEU 13 1HD1 LEU 13 -9.909 10.608 4.227 69 HD12 LEU 13 2HD1 LEU 13 -8.767 10.123 5.479 70 HD13 LEU 13 3HD1 LEU 13 -10.497 9.884 5.724 71 HD21 LEU 13 1HD2 LEU 13 -11.338 8.594 3.124 72 HD22 LEU 13 2HD2 LEU 13 -11.655 8.079 4.781 73 HD23 LEU 13 3HD2 LEU 13 -10.902 6.965 3.639 74 H SER 14 H SER 14 -5.750 7.809 2.824 75 HA SER 14 HA SER 14 -5.180 7.375 -0.014 76 HB2 SER 14 1HB SER 14 -4.075 9.520 -0.254 77 HB3 SER 14 2HB SER 14 -5.731 9.789 0.291 78 HG SER 14 HG SER 14 -4.483 9.629 2.491 79 H ALA 15 H ALA 15 -3.644 5.872 0.047 80 HA ALA 15 HA ALA 15 -1.306 6.345 1.763 81 HB1 ALA 15 1HB ALA 15 -1.995 4.636 3.039 82 HB2 ALA 15 2HB ALA 15 -3.120 4.046 1.815 83 HB3 ALA 15 3HB ALA 15 -1.410 3.626 1.716 84 H GLU 16 H GLU 16 -2.632 4.539 -0.990 85 HA GLU 16 HA GLU 16 -0.231 5.069 -2.511 86 HB2 GLU 16 1HB GLU 16 0.440 3.041 -1.372 87 HB3 GLU 16 2HB GLU 16 -1.061 2.246 -1.825 88 HG2 GLU 16 1HG GLU 16 -0.432 2.207 -4.124 89 HG3 GLU 16 2HG GLU 16 0.975 3.221 -3.810 90 H THR 17 H THR 17 -0.550 4.976 -4.715 91 HA THR 17 HA THR 17 -3.344 4.623 -5.548 92 HB THR 17 HB THR 17 -1.133 6.008 -7.073 93 HG1 THR 17 1HG THR 17 -2.493 7.904 -6.308 94 HG21 THR 17 1HG2 THR 17 -3.574 7.069 -7.809 95 HG22 THR 17 2HG2 THR 17 -3.914 5.347 -7.636 96 HG23 THR 17 3HG2 THR 17 -2.639 5.889 -8.727 97 H PHE 18 H PHE 18 -3.170 2.316 -5.677 98 HA PHE 18 HA PHE 18 -2.422 1.410 -8.278 99 HB2 PHE 18 1HB PHE 18 -0.250 1.427 -6.857 100 HB3 PHE 18 2HB PHE 18 -0.949 0.024 -6.055 101 HD1 PHE 18 1HD PHE 18 -2.147 -1.534 -8.102 102 HD2 PHE 18 2HD PHE 18 1.426 0.772 -8.274 103 HE1 PHE 18 1HE PHE 18 -1.303 -2.984 -9.901 104 HE2 PHE 18 2HE PHE 18 2.276 -0.674 -10.074 105 HZ PHE 18 HZ PHE 18 0.911 -2.554 -10.891 106 H GLU 19 H GLU 19 -3.900 -0.039 -8.839 107 HA GLU 19 HA GLU 19 -6.025 -0.909 -7.488 108 HB2 GLU 19 1HB GLU 19 -5.296 -1.465 -9.895 109 HB3 GLU 19 2HB GLU 19 -4.540 -2.890 -9.196 110 HG2 GLU 19 1HG GLU 19 -6.628 -3.616 -9.940 111 HG3 GLU 19 2HG GLU 19 -6.810 -3.422 -8.198 112 H SER 20 H SER 20 -6.648 -2.649 -6.185 113 HA SER 20 HA SER 20 -4.600 -3.540 -4.354 114 HB2 SER 20 1HB SER 20 -6.524 -4.589 -3.143 115 HB3 SER 20 2HB SER 20 -6.723 -2.858 -3.418 116 HG SER 20 HG SER 20 -7.720 -4.336 -5.468 117 H ASP 21 H ASP 21 -4.149 -4.560 -6.895 118 HA ASP 21 HA ASP 21 -4.775 -7.418 -6.538 119 HB2 ASP 21 1HB ASP 21 -5.712 -6.141 -8.598 120 HB3 ASP 21 2HB ASP 21 -4.057 -6.219 -9.197 121 H LEU 22 H LEU 22 -2.593 -6.170 -5.269 122 HA LEU 22 HA LEU 22 -0.300 -7.195 -6.805 123 HB2 LEU 22 1HB LEU 22 -0.568 -5.008 -4.782 124 HB3 LEU 22 2HB LEU 22 0.989 -5.791 -5.046 125 HG LEU 22 HG LEU 22 -0.545 -4.545 -7.308 126 HD11 LEU 22 1HD1 LEU 22 0.879 -3.218 -5.112 127 HD12 LEU 22 2HD1 LEU 22 -0.317 -2.584 -6.242 128 HD13 LEU 22 3HD1 LEU 22 1.373 -2.719 -6.730 129 HD21 LEU 22 1HD2 LEU 22 1.355 -4.812 -8.522 130 HD22 LEU 22 2HD2 LEU 22 1.577 -6.152 -7.398 131 HD23 LEU 22 3HD2 LEU 22 2.412 -4.622 -7.123 132 H ASP 23 H ASP 23 1.477 -8.111 -5.451 133 HA ASP 23 HA ASP 23 0.335 -9.988 -3.543 134 HB2 ASP 23 1HB ASP 23 2.914 -9.824 -5.062 135 HB3 ASP 23 2HB ASP 23 2.805 -10.857 -3.640 136 H GLU 24 H GLU 24 0.458 -9.733 -1.417 137 HA GLU 24 HA GLU 24 2.596 -8.033 -0.320 138 HB2 GLU 24 1HB GLU 24 0.262 -6.972 -0.392 139 HB3 GLU 24 2HB GLU 24 -0.177 -8.139 0.847 140 HG2 GLU 24 1HG GLU 24 1.561 -7.250 2.309 141 HG3 GLU 24 2HG GLU 24 2.014 -6.086 1.065 142 H THR 25 H THR 25 2.493 -10.912 -0.591 143 HA THR 25 HA THR 25 2.236 -11.762 2.213 144 HB THR 25 HB THR 25 2.189 -14.062 1.387 145 HG1 THR 25 1HG THR 25 3.481 -13.688 -0.512 146 HG21 THR 25 1HG2 THR 25 0.065 -12.874 1.562 147 HG22 THR 25 2HG2 THR 25 0.039 -13.987 0.195 148 HG23 THR 25 3HG2 THR 25 0.259 -12.259 -0.079 149 H ARG 26 H ARG 26 4.486 -11.147 -0.298 150 HA ARG 26 HA ARG 26 6.633 -12.330 1.337 151 HB2 ARG 26 1HB ARG 26 7.859 -12.882 -0.647 152 HB3 ARG 26 2HB ARG 26 6.235 -13.533 -0.822 153 HG2 ARG 26 1HG ARG 26 5.623 -11.681 -2.266 154 HG3 ARG 26 2HG ARG 26 7.223 -10.968 -2.052 155 HD2 ARG 26 1HD ARG 26 7.211 -12.112 -4.146 156 HD3 ARG 26 2HD ARG 26 8.194 -13.054 -3.025 157 HE ARG 26 HE ARG 26 5.655 -13.817 -4.189 158 HH11 ARG 26 2HH1 ARG 26 8.046 -14.427 -1.733 159 HH12 ARG 26 1HH1 ARG 26 7.549 -16.066 -1.472 160 HH21 ARG 26 2HH2 ARG 26 4.992 -15.974 -3.855 161 HH22 ARG 26 1HH2 ARG 26 5.813 -16.945 -2.680 162 H VAL 27 H VAL 27 8.608 -11.192 1.424 163 HA VAL 27 HA VAL 27 8.303 -8.338 1.307 164 HB VAL 27 HB VAL 27 10.554 -8.230 2.232 165 HG11 VAL 27 1HG1 VAL 27 9.219 -10.490 3.672 166 HG12 VAL 27 2HG1 VAL 27 10.059 -9.087 4.334 167 HG13 VAL 27 3HG1 VAL 27 8.466 -8.898 3.598 168 HG21 VAL 27 1HG2 VAL 27 10.739 -10.887 1.094 169 HG22 VAL 27 2HG2 VAL 27 12.021 -9.785 1.597 170 HG23 VAL 27 3HG2 VAL 27 11.264 -10.854 2.778 171 HA PRO 28 HA PRO 28 10.013 -7.563 -2.669 172 HB2 PRO 28 1HB PRO 28 11.051 -5.089 -2.259 173 HB3 PRO 28 2HB PRO 28 9.315 -5.392 -2.391 174 HG2 PRO 28 1HG PRO 28 10.993 -5.028 0.061 175 HG3 PRO 28 2HG PRO 28 9.390 -4.365 -0.306 176 HD2 PRO 28 1HD PRO 28 9.743 -6.526 1.287 177 HD3 PRO 28 2HD PRO 28 8.313 -6.325 0.255 178 H GLU 29 H GLU 29 11.697 -8.963 -3.015 179 HA GLU 29 HA GLU 29 14.077 -9.189 -1.666 180 HB2 GLU 29 1HB GLU 29 13.796 -9.466 -4.660 181 HB3 GLU 29 2HB GLU 29 14.982 -10.254 -3.629 182 HG2 GLU 29 1HG GLU 29 13.138 -11.465 -2.509 183 HG3 GLU 29 2HG GLU 29 12.015 -10.745 -3.661 184 H VAL 30 H VAL 30 16.287 -8.718 -2.916 185 HA VAL 30 HA VAL 30 16.946 -6.089 -2.524 186 HB VAL 30 HB VAL 30 18.670 -7.748 -2.787 187 HG11 VAL 30 1HG1 VAL 30 18.808 -8.045 -5.618 188 HG12 VAL 30 2HG1 VAL 30 18.602 -9.289 -4.384 189 HG13 VAL 30 3HG1 VAL 30 17.189 -8.493 -5.079 190 HG21 VAL 30 1HG2 VAL 30 20.050 -6.572 -4.652 191 HG22 VAL 30 2HG2 VAL 30 18.687 -5.455 -4.706 192 HG23 VAL 30 3HG2 VAL 30 19.591 -5.669 -3.208 193 HA PRO 31 HA PRO 31 15.101 -3.836 -5.837 194 HB2 PRO 31 1HB PRO 31 16.621 -1.592 -5.675 195 HB3 PRO 31 2HB PRO 31 15.354 -1.981 -4.505 196 HG2 PRO 31 1HG PRO 31 18.314 -2.375 -4.294 197 HG3 PRO 31 2HG PRO 31 17.177 -1.771 -3.076 198 HD2 PRO 31 1HD PRO 31 18.092 -4.319 -3.077 199 HD3 PRO 31 2HD PRO 31 16.467 -3.888 -2.505 200 H SER 32 H SER 32 15.708 -2.726 -7.868 201 HA SER 32 HA SER 32 17.253 -4.260 -9.536 202 HB2 SER 32 1HB SER 32 15.933 -2.829 -10.748 203 HB3 SER 32 2HB SER 32 16.218 -1.472 -9.659 204 HG SER 32 HG SER 32 17.241 -1.539 -11.893 205 H SER 33 H SER 33 18.234 -1.242 -7.926 206 HA SER 33 HA SER 33 20.879 -2.103 -7.474 207 HB2 SER 33 1HB SER 33 20.711 -1.600 -10.062 208 HB3 SER 33 2HB SER 33 20.877 0.073 -9.528 209 HG SER 33 HG SER 33 22.895 -0.287 -9.019 210 H LEU 34 H LEU 34 22.317 0.074 -7.165 211 HA LEU 34 HA LEU 34 20.760 2.256 -6.079 212 HB2 LEU 34 1HB LEU 34 20.634 1.060 -4.121 213 HB3 LEU 34 2HB LEU 34 22.183 0.263 -4.385 214 HG LEU 34 HG LEU 34 23.191 2.610 -3.946 215 HD11 LEU 34 1HD1 LEU 34 21.329 4.016 -3.936 216 HD12 LEU 34 2HD1 LEU 34 21.722 3.812 -2.229 217 HD13 LEU 34 3HD1 LEU 34 20.382 2.911 -2.939 218 HD21 LEU 34 1HD2 LEU 34 23.850 1.333 -2.240 219 HD22 LEU 34 2HD2 LEU 34 22.308 0.479 -2.172 220 HD23 LEU 34 3HD2 LEU 34 22.497 2.026 -1.346 221 H HIS 35 H HIS 35 21.772 3.914 -7.000 222 HA HIS 35 HA HIS 35 24.688 3.863 -7.258 223 HB2 HIS 35 1HB HIS 35 23.660 4.402 -9.320 224 HB3 HIS 35 2HB HIS 35 22.532 5.519 -8.557 225 HD1 HIS 35 1HD HIS 35 23.105 7.737 -9.505 226 HD2 HIS 35 2HD HIS 35 26.489 5.606 -8.377 227 HE1 HIS 35 1HE HIS 35 25.036 9.311 -9.847 228 HE2 HIS 35 2HE HIS 35 27.081 7.972 -9.239 229 H VAL 36 H VAL 36 26.016 5.385 -6.347 230 HA VAL 36 HA VAL 36 24.755 7.352 -4.553 231 HB VAL 36 HB VAL 36 26.662 6.996 -2.975 232 HG11 VAL 36 1HG1 VAL 36 24.716 6.037 -2.201 233 HG12 VAL 36 2HG1 VAL 36 24.612 4.902 -3.549 234 HG13 VAL 36 3HG1 VAL 36 25.790 4.640 -2.261 235 HG21 VAL 36 1HG2 VAL 36 27.182 4.318 -4.106 236 HG22 VAL 36 2HG2 VAL 36 27.876 5.684 -4.979 237 HG23 VAL 36 3HG2 VAL 36 28.270 5.432 -3.278 238 H ARG 37 H ARG 37 25.658 9.358 -4.497 239 HA ARG 37 HA ARG 37 28.057 9.792 -6.152 240 HB2 ARG 37 1HB ARG 37 26.333 10.696 -7.456 241 HB3 ARG 37 2HB ARG 37 25.475 11.321 -6.054 242 HG2 ARG 37 1HG ARG 37 26.376 13.200 -7.119 243 HG3 ARG 37 2HG ARG 37 27.436 12.899 -5.741 244 HD2 ARG 37 1HD ARG 37 28.709 13.418 -7.768 245 HD3 ARG 37 2HD ARG 37 29.036 11.784 -7.193 246 HE ARG 37 HE ARG 37 26.980 11.659 -9.085 247 HH11 ARG 37 2HH1 ARG 37 30.377 12.398 -8.903 248 HH12 ARG 37 1HH1 ARG 37 30.707 11.893 -10.527 249 HH21 ARG 37 2HH2 ARG 37 27.402 10.990 -11.224 250 HH22 ARG 37 1HH2 ARG 37 29.014 11.093 -11.847 251 HA PRO 38 HA PRO 38 29.389 11.380 -2.157 252 HB2 PRO 38 1HB PRO 38 32.006 11.570 -2.854 253 HB3 PRO 38 2HB PRO 38 31.246 10.046 -2.381 254 HG2 PRO 38 1HG PRO 38 31.833 11.099 -5.121 255 HG3 PRO 38 2HG PRO 38 32.056 9.460 -4.481 256 HD2 PRO 38 1HD PRO 38 29.941 10.146 -6.026 257 HD3 PRO 38 2HD PRO 38 29.832 8.918 -4.748 258 H LEU 39 H LEU 39 29.252 13.450 -1.581 259 HA LEU 39 HA LEU 39 30.181 15.506 -3.476 260 HB2 LEU 39 1HB LEU 39 27.686 15.296 -1.880 261 HB3 LEU 39 2HB LEU 39 28.395 16.896 -2.088 262 HG LEU 39 HG LEU 39 28.356 16.273 -4.624 263 HD11 LEU 39 1HD1 LEU 39 26.035 14.607 -3.710 264 HD12 LEU 39 2HD1 LEU 39 27.620 13.903 -4.027 265 HD13 LEU 39 3HD1 LEU 39 26.747 14.726 -5.320 266 HD21 LEU 39 1HD2 LEU 39 27.094 18.096 -3.629 267 HD22 LEU 39 2HD2 LEU 39 25.863 16.963 -3.071 268 HD23 LEU 39 3HD2 LEU 39 26.102 17.226 -4.799 269 H VAL 40 H VAL 40 31.018 17.453 -2.550 270 HA VAL 40 HA VAL 40 32.989 17.346 -0.790 271 HB VAL 40 HB VAL 40 30.980 19.602 -0.828 272 HG11 VAL 40 1HG1 VAL 40 33.318 19.181 0.772 273 HG12 VAL 40 2HG1 VAL 40 33.575 20.549 -0.311 274 HG13 VAL 40 3HG1 VAL 40 32.191 20.537 0.782 275 HG21 VAL 40 1HG2 VAL 40 31.799 19.235 -3.036 276 HG22 VAL 40 2HG2 VAL 40 32.654 20.634 -2.387 277 HG23 VAL 40 3HG2 VAL 40 33.456 19.065 -2.458 278 H THR 41 H THR 41 29.882 18.569 0.448 279 HA THR 41 HA THR 41 30.442 17.155 2.975 280 HB THR 41 HB THR 41 29.135 18.956 4.109 281 HG1 THR 41 1HG THR 41 29.449 20.391 1.671 282 HG21 THR 41 1HG2 THR 41 31.574 19.866 2.575 283 HG22 THR 41 2HG2 THR 41 31.572 19.018 4.122 284 HG23 THR 41 3HG2 THR 41 30.916 20.651 4.010 285 H SER 42 H SER 42 28.851 16.372 0.546 286 HA SER 42 HA SER 42 26.476 15.524 2.003 287 HB2 SER 42 1HB SER 42 26.108 17.718 0.579 288 HB3 SER 42 2HB SER 42 26.028 16.577 -0.763 289 HG SER 42 HG SER 42 24.542 15.936 1.490 290 H ILE 43 H ILE 43 25.094 14.151 0.256 291 HA ILE 43 HA ILE 43 26.710 12.677 -1.607 292 HB ILE 43 HB ILE 43 25.766 11.287 0.903 293 HG12 ILE 43 1HG1 ILE 43 28.517 11.898 -0.188 294 HG13 ILE 43 2HG1 ILE 43 27.818 12.466 1.324 295 HG21 ILE 43 1HG2 ILE 43 27.435 9.762 -0.921 296 HG22 ILE 43 2HG2 ILE 43 25.918 9.321 -0.138 297 HG23 ILE 43 3HG2 ILE 43 25.899 10.239 -1.644 298 HD11 ILE 43 1HD1 ILE 43 29.333 10.767 1.897 299 HD12 ILE 43 2HD1 ILE 43 27.730 10.044 2.034 300 HD13 ILE 43 3HD1 ILE 43 28.737 9.698 0.628 301 H VAL 44 H VAL 44 25.272 12.745 -3.221 302 HA VAL 44 HA VAL 44 22.443 12.505 -2.786 303 HB VAL 44 HB VAL 44 23.738 12.271 -5.482 304 HG11 VAL 44 1HG1 VAL 44 21.366 11.998 -5.467 305 HG12 VAL 44 2HG1 VAL 44 21.152 13.432 -4.461 306 HG13 VAL 44 3HG1 VAL 44 21.717 13.595 -6.125 307 HG21 VAL 44 1HG2 VAL 44 24.041 14.464 -3.631 308 HG22 VAL 44 2HG2 VAL 44 24.778 14.222 -5.215 309 HG23 VAL 44 3HG2 VAL 44 23.188 14.974 -5.088 310 H VAL 45 H VAL 45 21.892 10.518 -2.010 311 HA VAL 45 HA VAL 45 22.917 8.108 -3.257 312 HB VAL 45 HB VAL 45 20.949 8.501 -1.001 313 HG11 VAL 45 1HG1 VAL 45 21.799 5.922 -0.810 314 HG12 VAL 45 2HG1 VAL 45 20.270 6.428 -1.532 315 HG13 VAL 45 3HG1 VAL 45 21.674 6.125 -2.557 316 HG21 VAL 45 1HG2 VAL 45 23.335 7.105 -0.290 317 HG22 VAL 45 2HG2 VAL 45 23.769 8.609 -1.101 318 HG23 VAL 45 3HG2 VAL 45 22.728 8.643 0.322 319 H SER 46 H SER 46 22.082 7.838 -5.264 320 HA SER 46 HA SER 46 19.164 7.999 -5.583 321 HB2 SER 46 1HB SER 46 19.553 8.213 -7.962 322 HB3 SER 46 2HB SER 46 20.586 9.369 -7.121 323 HG SER 46 HG SER 46 22.256 8.394 -7.923 324 H TRP 47 H TRP 47 18.026 6.190 -5.732 325 HA TRP 47 HA TRP 47 19.402 3.725 -6.576 326 HB2 TRP 47 1HB TRP 47 18.052 2.462 -4.973 327 HB3 TRP 47 2HB TRP 47 19.001 3.697 -4.148 328 HD1 TRP 47 HD TRP 47 15.423 2.662 -4.874 329 HE1 TRP 47 1HE TRP 47 13.824 4.143 -3.505 330 HE3 TRP 47 3HE TRP 47 18.786 6.101 -3.142 331 HZ2 TRP 47 2HZ TRP 47 13.969 6.463 -1.903 332 HZ3 TRP 47 3HZ TRP 47 17.974 7.920 -1.697 333 HH2 TRP 47 HH TRP 47 15.615 8.096 -1.093 334 H THR 48 H THR 48 17.450 1.973 -6.846 335 HA THR 48 HA THR 48 15.320 3.220 -8.433 336 HB THR 48 HB THR 48 15.626 1.415 -10.168 337 HG1 THR 48 1HG THR 48 17.805 0.894 -8.502 338 HG21 THR 48 1HG2 THR 48 17.770 2.542 -11.113 339 HG22 THR 48 2HG2 THR 48 17.619 3.605 -9.714 340 HG23 THR 48 3HG2 THR 48 16.313 3.511 -10.895 341 HA PRO 49 HA PRO 49 12.675 0.285 -6.515 342 HB2 PRO 49 1HB PRO 49 10.801 -0.067 -8.448 343 HB3 PRO 49 2HB PRO 49 10.924 1.411 -7.486 344 HG2 PRO 49 1HG PRO 49 11.932 0.861 -10.251 345 HG3 PRO 49 2HG PRO 49 11.110 2.303 -9.626 346 HD2 PRO 49 1HD PRO 49 13.794 2.189 -9.968 347 HD3 PRO 49 2HD PRO 49 13.035 3.143 -8.677 348 HA PRO 50 HA PRO 50 13.667 -3.817 -7.753 349 HB2 PRO 50 1HB PRO 50 11.473 -5.182 -6.919 350 HB3 PRO 50 2HB PRO 50 12.677 -4.525 -5.804 351 HG2 PRO 50 1HG PRO 50 10.017 -3.403 -6.593 352 HG3 PRO 50 2HG PRO 50 10.762 -3.491 -4.987 353 HD2 PRO 50 1HD PRO 50 10.762 -1.226 -6.471 354 HD3 PRO 50 2HD PRO 50 12.084 -1.640 -5.361 355 H GLU 51 H GLU 51 13.704 -4.577 -9.766 356 HA GLU 51 HA GLU 51 12.155 -3.966 -11.880 357 HB2 GLU 51 1HB GLU 51 13.657 -6.454 -11.191 358 HB3 GLU 51 2HB GLU 51 12.656 -6.447 -12.635 359 HG2 GLU 51 1HG GLU 51 14.607 -5.764 -13.552 360 HG3 GLU 51 2HG GLU 51 13.959 -4.192 -13.087 361 H ASN 52 H ASN 52 11.451 -6.496 -9.514 362 HA ASN 52 HA ASN 52 9.108 -7.441 -10.826 363 HB2 ASN 52 1HB ASN 52 10.624 -8.523 -8.941 364 HB3 ASN 52 2HB ASN 52 9.456 -7.748 -7.876 365 HD21 ASN 52 1HD2 ASN 52 8.845 -9.856 -7.198 366 HD22 ASN 52 2HD2 ASN 52 7.780 -10.814 -8.164 367 H GLN 53 H GLN 53 7.422 -6.137 -11.154 368 HA GLN 53 HA GLN 53 6.704 -4.146 -9.147 369 HB2 GLN 53 1HB GLN 53 6.045 -4.585 -12.022 370 HB3 GLN 53 2HB GLN 53 4.900 -3.686 -11.035 371 HG2 GLN 53 1HG GLN 53 7.786 -2.931 -11.025 372 HG3 GLN 53 2HG GLN 53 6.745 -2.432 -12.357 373 HE21 GLN 53 1HE2 GLN 53 7.282 -2.210 -8.907 374 HE22 GLN 53 2HE2 GLN 53 6.364 -0.767 -8.662 375 H ASN 54 H ASN 54 6.311 -6.906 -8.496 376 HA ASN 54 HA ASN 54 3.369 -7.060 -8.441 377 HB2 ASN 54 1HB ASN 54 5.308 -9.346 -8.048 378 HB3 ASN 54 2HB ASN 54 3.560 -9.453 -8.237 379 HD21 ASN 54 1HD2 ASN 54 2.977 -7.955 -10.336 380 HD22 ASN 54 2HD2 ASN 54 3.789 -8.507 -11.757 381 H ILE 55 H ILE 55 6.284 -6.994 -6.563 382 HA ILE 55 HA ILE 55 4.963 -7.721 -4.092 383 HB ILE 55 HB ILE 55 7.716 -6.528 -4.330 384 HG12 ILE 55 1HG1 ILE 55 7.037 -9.468 -4.508 385 HG13 ILE 55 2HG1 ILE 55 7.405 -8.466 -5.907 386 HG21 ILE 55 1HG2 ILE 55 6.145 -7.909 -2.252 387 HG22 ILE 55 2HG2 ILE 55 7.843 -8.367 -2.373 388 HG23 ILE 55 3HG2 ILE 55 7.401 -6.682 -2.099 389 HD11 ILE 55 1HD1 ILE 55 9.393 -9.584 -5.385 390 HD12 ILE 55 2HD1 ILE 55 9.606 -7.947 -4.763 391 HD13 ILE 55 3HD1 ILE 55 9.218 -9.266 -3.660 392 H VAL 56 H VAL 56 4.013 -6.363 -2.722 393 HA VAL 56 HA VAL 56 3.713 -3.608 -3.335 394 HB VAL 56 HB VAL 56 3.003 -5.161 -0.845 395 HG11 VAL 56 1HG1 VAL 56 2.653 -2.282 -1.549 396 HG12 VAL 56 2HG1 VAL 56 1.425 -3.097 -0.578 397 HG13 VAL 56 3HG1 VAL 56 3.092 -3.017 -0.007 398 HG21 VAL 56 1HG2 VAL 56 1.193 -4.094 -3.001 399 HG22 VAL 56 2HG2 VAL 56 1.850 -5.731 -3.009 400 HG23 VAL 56 3HG2 VAL 56 0.786 -5.214 -1.700 401 H VAL 57 H VAL 57 5.126 -2.041 -2.977 402 HA VAL 57 HA VAL 57 7.102 -2.374 -0.823 403 HB VAL 57 HB VAL 57 7.189 -0.664 -3.310 404 HG11 VAL 57 1HG1 VAL 57 8.681 0.651 -2.327 405 HG12 VAL 57 2HG1 VAL 57 8.461 -0.227 -0.813 406 HG13 VAL 57 3HG1 VAL 57 9.691 -0.748 -1.965 407 HG21 VAL 57 1HG2 VAL 57 9.352 -2.554 -2.749 408 HG22 VAL 57 2HG2 VAL 57 7.783 -3.313 -3.017 409 HG23 VAL 57 3HG2 VAL 57 8.469 -2.251 -4.246 410 H ARG 58 H ARG 58 6.969 -1.123 0.918 411 HA ARG 58 HA ARG 58 5.091 1.120 0.896 412 HB2 ARG 58 1HB ARG 58 6.405 -0.415 3.138 413 HB3 ARG 58 2HB ARG 58 5.435 1.028 3.402 414 HG2 ARG 58 1HG ARG 58 4.350 -1.347 1.930 415 HG3 ARG 58 2HG ARG 58 4.304 -1.238 3.691 416 HD2 ARG 58 1HD ARG 58 2.946 0.706 3.621 417 HD3 ARG 58 2HD ARG 58 3.205 0.905 1.889 418 HE ARG 58 HE ARG 58 1.975 -1.588 2.447 419 HH11 ARG 58 2HH1 ARG 58 1.326 1.827 2.253 420 HH12 ARG 58 1HH1 ARG 58 -0.349 1.619 1.863 421 HH21 ARG 58 2HH2 ARG 58 -0.229 -1.875 1.934 422 HH22 ARG 58 1HH2 ARG 58 -1.233 -0.487 1.683 423 H GLY 59 H GLY 59 8.482 0.371 1.349 424 HA2 GLY 59 1HA GLY 59 9.384 2.926 0.685 425 HA3 GLY 59 2HA GLY 59 9.289 2.852 2.438 426 H TYR 60 H TYR 60 11.693 3.321 1.799 427 HA TYR 60 HA TYR 60 13.087 0.738 1.932 428 HB2 TYR 60 1HB TYR 60 14.322 3.056 0.482 429 HB3 TYR 60 2HB TYR 60 14.693 1.340 0.350 430 HD1 TYR 60 2HD TYR 60 12.335 3.989 -0.641 431 HD2 TYR 60 1HD TYR 60 13.472 -0.079 -1.149 432 HE1 TYR 60 2HE TYR 60 10.881 3.836 -2.618 433 HE2 TYR 60 1HE TYR 60 12.021 -0.244 -3.128 434 HH TYR 60 HH TYR 60 10.951 2.178 -4.829 435 H ALA 61 H ALA 61 15.347 0.981 2.773 436 HA ALA 61 HA ALA 61 15.506 3.180 4.730 437 HB1 ALA 61 1HB ALA 61 14.952 0.822 5.609 438 HB2 ALA 61 2HB ALA 61 16.648 0.466 5.280 439 HB3 ALA 61 3HB ALA 61 16.219 1.746 6.415 440 H ILE 62 H ILE 62 17.274 4.391 4.579 441 HA ILE 62 HA ILE 62 19.574 3.320 3.083 442 HB ILE 62 HB ILE 62 18.813 6.214 3.495 443 HG12 ILE 62 1HG1 ILE 62 18.777 4.869 0.830 444 HG13 ILE 62 2HG1 ILE 62 17.429 4.581 1.926 445 HG21 ILE 62 1HG2 ILE 62 20.740 5.339 1.419 446 HG22 ILE 62 2HG2 ILE 62 20.685 6.829 2.359 447 HG23 ILE 62 3HG2 ILE 62 21.291 5.345 3.094 448 HD11 ILE 62 1HD1 ILE 62 17.875 6.782 0.211 449 HD12 ILE 62 2HD1 ILE 62 16.519 6.491 1.302 450 HD13 ILE 62 3HD1 ILE 62 17.938 7.368 1.873 451 H GLY 63 H GLY 63 21.084 2.627 4.462 452 HA2 GLY 63 1HA GLY 63 21.524 4.115 6.957 453 HA3 GLY 63 2HA GLY 63 22.076 2.479 6.627 454 H TYR 64 H TYR 64 23.463 5.010 7.515 455 HA TYR 64 HA TYR 64 25.724 4.743 5.690 456 HB2 TYR 64 1HB TYR 64 26.015 7.128 5.427 457 HB3 TYR 64 2HB TYR 64 24.395 6.692 4.894 458 HD1 TYR 64 1HD TYR 64 22.437 7.374 6.177 459 HD2 TYR 64 2HD TYR 64 26.357 8.474 7.411 460 HE1 TYR 64 1HE TYR 64 21.480 9.053 7.699 461 HE2 TYR 64 2HE TYR 64 25.411 10.155 8.938 462 HH TYR 64 HH TYR 64 23.537 10.950 9.868 463 H GLY 65 H GLY 65 27.737 5.476 6.594 464 HA2 GLY 65 1HA GLY 65 28.160 6.618 9.066 465 HA3 GLY 65 2HA GLY 65 27.947 4.903 9.383 466 H ILE 66 H ILE 66 30.317 6.428 9.863 467 HA ILE 66 HA ILE 66 32.208 5.848 7.778 468 HB ILE 66 HB ILE 66 32.647 6.751 10.627 469 HG12 ILE 66 1HG1 ILE 66 31.434 8.374 9.233 470 HG13 ILE 66 2HG1 ILE 66 33.050 8.950 9.623 471 HG21 ILE 66 1HG2 ILE 66 34.815 6.387 10.338 472 HG22 ILE 66 2HG2 ILE 66 34.490 5.697 8.749 473 HG23 ILE 66 3HG2 ILE 66 34.807 7.424 8.912 474 HD11 ILE 66 1HD1 ILE 66 33.680 7.912 7.329 475 HD12 ILE 66 2HD1 ILE 66 31.948 8.026 7.016 476 HD13 ILE 66 3HD1 ILE 66 32.873 9.478 7.398 477 H GLY 67 H GLY 67 32.072 3.600 7.485 478 HA2 GLY 67 1HA GLY 67 33.626 1.751 7.994 479 HA3 GLY 67 2HA GLY 67 33.260 2.031 9.690 480 H SER 68 H SER 68 30.425 2.404 9.305 481 HA SER 68 HA SER 68 29.440 -0.045 8.120 482 HB2 SER 68 1HB SER 68 29.297 0.421 11.107 483 HB3 SER 68 2HB SER 68 28.373 -0.810 10.246 484 HG SER 68 HG SER 68 30.214 -1.785 10.993 485 HA PRO 69 HA PRO 69 25.966 2.578 7.451 486 HB2 PRO 69 1HB PRO 69 24.120 0.679 6.854 487 HB3 PRO 69 2HB PRO 69 25.411 1.147 5.741 488 HG2 PRO 69 1HG PRO 69 25.261 -1.207 7.583 489 HG3 PRO 69 2HG PRO 69 25.825 -1.135 5.904 490 HD2 PRO 69 1HD PRO 69 27.525 -1.171 8.012 491 HD3 PRO 69 2HD PRO 69 27.894 -0.313 6.503 492 H HIS 70 H HIS 70 26.350 0.623 10.100 493 HA HIS 70 HA HIS 70 23.686 0.711 11.161 494 HB2 HIS 70 1HB HIS 70 26.367 -0.006 12.336 495 HB3 HIS 70 2HB HIS 70 24.902 0.036 13.312 496 HD1 HIS 70 1HD HIS 70 23.810 -2.162 13.518 497 HD2 HIS 70 2HD HIS 70 25.905 -1.820 9.947 498 HE1 HIS 70 1HE HIS 70 23.552 -4.386 12.371 499 HE2 HIS 70 2HE HIS 70 24.898 -4.183 10.253 500 H ALA 71 H ALA 71 26.573 2.681 11.404 501 HA ALA 71 HA ALA 71 26.316 4.210 13.577 502 HB1 ALA 71 1HB ALA 71 27.736 4.494 11.338 503 HB2 ALA 71 2HB ALA 71 26.571 5.795 11.090 504 HB3 ALA 71 3HB ALA 71 27.580 5.779 12.536 505 H GLN 72 H GLN 72 24.583 5.073 10.575 506 HA GLN 72 HA GLN 72 22.319 5.969 12.194 507 HB2 GLN 72 1HB GLN 72 23.799 7.667 10.187 508 HB3 GLN 72 2HB GLN 72 22.170 8.036 10.736 509 HG2 GLN 72 1HG GLN 72 22.865 8.563 12.874 510 HG3 GLN 72 2HG GLN 72 24.364 7.648 12.721 511 HE21 GLN 72 1HE2 GLN 72 25.995 8.512 11.261 512 HE22 GLN 72 2HE2 GLN 72 26.134 10.224 11.081 513 H THR 73 H THR 73 20.337 6.185 10.996 514 HA THR 73 HA THR 73 20.333 5.010 8.314 515 HB THR 73 HB THR 73 18.451 4.032 10.463 516 HG1 THR 73 1HG THR 73 19.907 2.043 9.942 517 HG21 THR 73 1HG2 THR 73 18.059 3.961 7.820 518 HG22 THR 73 2HG2 THR 73 17.534 2.662 8.891 519 HG23 THR 73 3HG2 THR 73 19.041 2.507 7.990 520 H ILE 74 H ILE 74 18.875 5.908 6.969 521 HA ILE 74 HA ILE 74 16.859 7.707 8.148 522 HB ILE 74 HB ILE 74 18.461 8.117 5.622 523 HG12 ILE 74 1HG1 ILE 74 18.267 9.900 8.049 524 HG13 ILE 74 2HG1 ILE 74 19.501 8.656 7.883 525 HG21 ILE 74 1HG2 ILE 74 16.244 8.844 5.157 526 HG22 ILE 74 2HG2 ILE 74 16.111 9.641 6.724 527 HG23 ILE 74 3HG2 ILE 74 17.202 10.285 5.497 528 HD11 ILE 74 1HD1 ILE 74 20.221 9.767 5.772 529 HD12 ILE 74 2HD1 ILE 74 19.101 11.076 6.150 530 HD13 ILE 74 3HD1 ILE 74 20.451 10.731 7.231 531 H LYS 75 H LYS 75 14.907 6.874 7.847 532 HA LYS 75 HA LYS 75 14.379 5.270 5.449 533 HB2 LYS 75 1HB LYS 75 12.872 5.551 8.052 534 HB3 LYS 75 2HB LYS 75 12.286 4.618 6.682 535 HG2 LYS 75 1HG LYS 75 14.257 3.176 6.824 536 HG3 LYS 75 2HG LYS 75 14.833 4.109 8.207 537 HD2 LYS 75 1HD LYS 75 12.572 3.533 9.280 538 HD3 LYS 75 2HD LYS 75 12.438 2.309 8.016 539 HE2 LYS 75 1HE LYS 75 13.387 1.164 9.815 540 HE3 LYS 75 2HE LYS 75 14.761 1.543 8.778 541 HZ1 LYS 75 1HZ LYS 75 15.212 1.990 11.125 542 HZ2 LYS 75 2HZ LYS 75 13.947 3.111 11.165 543 HZ3 LYS 75 3HZ LYS 75 15.303 3.401 10.196 544 H VAL 76 H VAL 76 12.979 5.895 3.903 545 HA VAL 76 HA VAL 76 11.340 8.289 4.390 546 HB VAL 76 HB VAL 76 11.829 9.099 2.124 547 HG11 VAL 76 1HG1 VAL 76 13.140 9.872 4.087 548 HG12 VAL 76 2HG1 VAL 76 14.366 8.665 3.694 549 HG13 VAL 76 3HG1 VAL 76 14.022 9.975 2.564 550 HG21 VAL 76 1HG2 VAL 76 13.059 6.506 1.881 551 HG22 VAL 76 2HG2 VAL 76 12.645 7.672 0.624 552 HG23 VAL 76 3HG2 VAL 76 14.199 7.782 1.452 553 H ASP 77 H ASP 77 9.818 8.581 2.368 554 HA ASP 77 HA ASP 77 8.105 6.329 2.328 555 HB2 ASP 77 1HB ASP 77 8.148 8.982 0.947 556 HB3 ASP 77 2HB ASP 77 7.039 7.740 0.373 557 H TYR 78 H TYR 78 7.183 5.740 -0.027 558 HA TYR 78 HA TYR 78 9.395 4.391 -1.328 559 HB2 TYR 78 1HB TYR 78 7.599 3.260 -2.631 560 HB3 TYR 78 2HB TYR 78 7.409 3.084 -0.890 561 HD1 TYR 78 2HD TYR 78 5.673 4.426 0.297 562 HD2 TYR 78 1HD TYR 78 5.948 4.350 -3.949 563 HE1 TYR 78 2HE TYR 78 3.382 5.306 0.139 564 HE2 TYR 78 1HE TYR 78 3.658 5.232 -4.118 565 HH TYR 78 HH TYR 78 2.033 6.390 -2.858 566 H LYS 79 H LYS 79 7.595 7.237 -1.748 567 HA LYS 79 HA LYS 79 7.976 7.380 -4.622 568 HB2 LYS 79 1HB LYS 79 6.733 9.215 -2.584 569 HB3 LYS 79 2HB LYS 79 7.018 9.737 -4.239 570 HG2 LYS 79 1HG LYS 79 5.486 8.208 -5.112 571 HG3 LYS 79 2HG LYS 79 5.477 7.239 -3.637 572 HD2 LYS 79 1HD LYS 79 4.127 8.743 -2.504 573 HD3 LYS 79 2HD LYS 79 4.561 10.086 -3.563 574 HE2 LYS 79 1HE LYS 79 3.252 9.157 -5.357 575 HE3 LYS 79 2HE LYS 79 2.928 7.700 -4.419 576 HZ1 LYS 79 1HZ LYS 79 2.143 10.284 -3.284 577 HZ2 LYS 79 2HZ LYS 79 1.419 8.766 -3.109 578 HZ3 LYS 79 3HZ LYS 79 1.202 9.646 -4.537 579 H GLN 80 H GLN 80 10.350 7.149 -3.033 580 HA GLN 80 HA GLN 80 11.600 9.755 -3.604 581 HB2 GLN 80 1HB GLN 80 12.126 7.813 -1.361 582 HB3 GLN 80 2HB GLN 80 13.283 9.058 -1.814 583 HG2 GLN 80 1HG GLN 80 10.542 9.381 -0.654 584 HG3 GLN 80 2HG GLN 80 12.084 9.969 -0.035 585 HE21 GLN 80 1HE2 GLN 80 9.305 10.863 -1.529 586 HE22 GLN 80 2HE2 GLN 80 9.835 12.325 -2.282 587 H ARG 81 H ARG 81 12.890 9.633 -5.309 588 HA ARG 81 HA ARG 81 13.956 7.086 -6.183 589 HB2 ARG 81 1HB ARG 81 13.021 9.114 -7.608 590 HB3 ARG 81 2HB ARG 81 14.689 9.661 -7.501 591 HG2 ARG 81 1HG ARG 81 14.082 6.875 -8.389 592 HG3 ARG 81 2HG ARG 81 13.934 8.224 -9.517 593 HD2 ARG 81 1HD ARG 81 16.412 7.688 -7.893 594 HD3 ARG 81 2HD ARG 81 16.158 7.036 -9.511 595 HE ARG 81 HE ARG 81 16.799 9.759 -8.810 596 HH11 ARG 81 2HH1 ARG 81 15.483 7.630 -11.230 597 HH12 ARG 81 1HH1 ARG 81 15.795 8.717 -12.543 598 HH21 ARG 81 2HH2 ARG 81 17.214 11.199 -10.531 599 HH22 ARG 81 1HH2 ARG 81 16.780 10.746 -12.144 600 H TYR 82 H TYR 82 15.161 10.144 -4.900 601 HA TYR 82 HA TYR 82 17.657 8.813 -4.182 602 HB2 TYR 82 1HB TYR 82 19.083 10.389 -5.195 603 HB3 TYR 82 2HB TYR 82 17.890 10.015 -6.435 604 HD1 TYR 82 1HD TYR 82 19.085 12.562 -4.079 605 HD2 TYR 82 2HD TYR 82 16.283 11.673 -7.156 606 HE1 TYR 82 1HE TYR 82 18.565 14.957 -4.291 607 HE2 TYR 82 2HE TYR 82 15.757 14.065 -7.376 608 HH TYR 82 HH TYR 82 17.210 16.332 -6.785 609 H TYR 83 H TYR 83 18.952 10.108 -2.649 610 HA TYR 83 HA TYR 83 17.445 12.167 -1.218 611 HB2 TYR 83 1HB TYR 83 16.958 9.934 -0.174 612 HB3 TYR 83 2HB TYR 83 18.672 9.799 0.206 613 HD1 TYR 83 2HD TYR 83 19.697 11.324 1.857 614 HD2 TYR 83 1HD TYR 83 15.510 11.350 1.104 615 HE1 TYR 83 2HE TYR 83 19.334 12.558 3.953 616 HE2 TYR 83 1HE TYR 83 15.135 12.586 3.197 617 HH TYR 83 HH TYR 83 17.142 12.750 5.620 618 H THR 84 H THR 84 18.693 13.774 -0.463 619 HA THR 84 HA THR 84 21.579 13.551 -0.891 620 HB THR 84 HB THR 84 19.928 16.017 -0.303 621 HG1 THR 84 1HG THR 84 20.545 14.649 -2.647 622 HG21 THR 84 1HG2 THR 84 22.281 16.241 0.344 623 HG22 THR 84 2HG2 THR 84 21.908 17.243 -1.058 624 HG23 THR 84 3HG2 THR 84 22.776 15.723 -1.266 625 H ILE 85 H ILE 85 22.722 12.897 0.808 626 HA ILE 85 HA ILE 85 21.802 13.470 3.511 627 HB ILE 85 HB ILE 85 24.185 11.856 2.595 628 HG12 ILE 85 1HG1 ILE 85 21.522 10.873 3.634 629 HG13 ILE 85 2HG1 ILE 85 21.927 10.968 1.924 630 HG21 ILE 85 1HG2 ILE 85 22.879 12.019 5.308 631 HG22 ILE 85 2HG2 ILE 85 24.259 11.014 4.869 632 HG23 ILE 85 3HG2 ILE 85 24.412 12.771 4.864 633 HD11 ILE 85 1HD1 ILE 85 23.615 9.416 3.848 634 HD12 ILE 85 2HD1 ILE 85 22.184 8.719 3.087 635 HD13 ILE 85 3HD1 ILE 85 23.527 9.282 2.092 636 H GLU 86 H GLU 86 22.228 15.579 3.970 637 HA GLU 86 HA GLU 86 24.887 16.653 3.425 638 HB2 GLU 86 1HB GLU 86 22.387 17.959 4.513 639 HB3 GLU 86 2HB GLU 86 23.908 18.797 4.236 640 HG2 GLU 86 1HG GLU 86 23.716 18.667 1.938 641 HG3 GLU 86 2HG GLU 86 22.589 17.314 2.007 642 H ASN 87 H ASN 87 25.658 18.205 5.291 643 HA ASN 87 HA ASN 87 26.480 18.449 7.403 644 HB2 ASN 87 1HB ASN 87 24.464 16.404 8.334 645 HB3 ASN 87 2HB ASN 87 25.232 17.676 9.280 646 HD21 ASN 87 1HD2 ASN 87 22.717 16.876 7.067 647 HD22 ASN 87 2HD2 ASN 87 21.902 18.398 7.109 648 H LEU 88 H LEU 88 27.777 16.749 5.685 649 HA LEU 88 HA LEU 88 28.636 14.541 7.437 650 HB2 LEU 88 1HB LEU 88 28.715 14.764 4.434 651 HB3 LEU 88 2HB LEU 88 29.469 13.463 5.352 652 HG LEU 88 HG LEU 88 26.511 14.044 5.380 653 HD11 LEU 88 1HD1 LEU 88 27.570 11.666 3.989 654 HD12 LEU 88 2HD1 LEU 88 27.790 13.216 3.177 655 HD13 LEU 88 3HD1 LEU 88 26.171 12.673 3.618 656 HD21 LEU 88 1HD2 LEU 88 27.121 12.859 7.329 657 HD22 LEU 88 2HD2 LEU 88 28.223 11.809 6.438 658 HD23 LEU 88 3HD2 LEU 88 26.481 11.655 6.210 659 H ASP 89 H ASP 89 30.976 13.869 6.942 660 HA ASP 89 HA ASP 89 32.608 16.304 7.008 661 HB2 ASP 89 1HB ASP 89 32.692 14.624 8.903 662 HB3 ASP 89 2HB ASP 89 33.464 13.512 7.776 663 HA PRO 90 HA PRO 90 33.993 15.317 2.899 664 HB2 PRO 90 1HB PRO 90 35.811 17.325 2.719 665 HB3 PRO 90 2HB PRO 90 34.071 17.587 2.551 666 HG2 PRO 90 1HG PRO 90 35.831 18.023 4.933 667 HG3 PRO 90 2HG PRO 90 34.535 19.052 4.296 668 HD2 PRO 90 1HD PRO 90 34.181 17.409 6.418 669 HD3 PRO 90 2HD PRO 90 32.877 17.784 5.273 670 H SER 91 H SER 91 35.904 14.557 1.875 671 HA SER 91 HA SER 91 37.865 13.412 1.733 672 HB2 SER 91 1HB SER 91 38.875 15.486 2.597 673 HB3 SER 91 2HB SER 91 38.586 14.938 4.248 674 HG SER 91 HG SER 91 40.727 14.516 2.942 675 H SER 92 H SER 92 35.785 12.021 2.778 676 HA SER 92 HA SER 92 37.153 10.073 4.418 677 HB2 SER 92 1HB SER 92 34.896 11.747 5.458 678 HB3 SER 92 2HB SER 92 35.034 10.067 5.978 679 HG SER 92 HG SER 92 36.381 12.171 6.865 680 H HIS 93 H HIS 93 36.354 8.026 4.163 681 HA HIS 93 HA HIS 93 34.531 7.629 1.970 682 HB2 HIS 93 1HB HIS 93 36.321 6.105 1.994 683 HB3 HIS 93 2HB HIS 93 36.149 5.792 3.718 684 HD1 HIS 93 1HD HIS 93 35.729 3.323 3.697 685 HD2 HIS 93 2HD HIS 93 33.246 5.382 1.078 686 HE1 HIS 93 1HE HIS 93 34.066 1.626 2.873 687 HE2 HIS 93 2HE HIS 93 32.627 2.875 1.225 688 H TYR 94 H TYR 94 32.451 6.974 2.036 689 HA TYR 94 HA TYR 94 31.289 6.358 4.670 690 HB2 TYR 94 1HB TYR 94 30.404 8.349 2.624 691 HB3 TYR 94 2HB TYR 94 29.182 7.524 3.585 692 HD1 TYR 94 2HD TYR 94 32.096 9.784 3.742 693 HD2 TYR 94 1HD TYR 94 28.837 8.077 5.879 694 HE1 TYR 94 2HE TYR 94 32.467 11.383 5.573 695 HE2 TYR 94 1HE TYR 94 29.198 9.672 7.716 696 HH TYR 94 HH TYR 94 30.654 11.182 8.584 697 H VAL 95 H VAL 95 30.060 4.582 4.745 698 HA VAL 95 HA VAL 95 29.581 3.140 2.244 699 HB VAL 95 HB VAL 95 29.318 2.190 5.101 700 HG11 VAL 95 1HG1 VAL 95 29.391 -0.080 3.893 701 HG12 VAL 95 2HG1 VAL 95 27.879 0.831 3.868 702 HG13 VAL 95 3HG1 VAL 95 28.935 0.833 2.455 703 HG21 VAL 95 1HG2 VAL 95 31.603 2.549 3.423 704 HG22 VAL 95 2HG2 VAL 95 31.524 1.931 5.074 705 HG23 VAL 95 3HG2 VAL 95 31.357 0.826 3.710 706 H ILE 96 H ILE 96 27.648 3.157 1.323 707 HA ILE 96 HA ILE 96 25.307 3.843 2.975 708 HB ILE 96 HB ILE 96 25.694 4.228 0.004 709 HG12 ILE 96 1HG1 ILE 96 25.395 6.686 0.765 710 HG13 ILE 96 2HG1 ILE 96 25.802 6.085 2.368 711 HG21 ILE 96 1HG2 ILE 96 23.427 5.414 1.521 712 HG22 ILE 96 2HG2 ILE 96 23.531 4.949 -0.176 713 HG23 ILE 96 3HG2 ILE 96 23.340 3.712 1.067 714 HD11 ILE 96 1HD1 ILE 96 27.612 5.374 0.135 715 HD12 ILE 96 2HD1 ILE 96 27.625 7.039 0.716 716 HD13 ILE 96 3HD1 ILE 96 27.973 5.715 1.827 717 H THR 97 H THR 97 23.595 2.498 3.040 718 HA THR 97 HA THR 97 23.573 0.190 1.213 719 HB THR 97 HB THR 97 22.668 -1.167 3.154 720 HG1 THR 97 1HG THR 97 22.456 -0.185 5.008 721 HG21 THR 97 1HG2 THR 97 25.254 -0.721 2.311 722 HG22 THR 97 2HG2 THR 97 24.731 -2.013 3.391 723 HG23 THR 97 3HG2 THR 97 25.362 -0.507 4.058 724 H LEU 98 H LEU 98 21.560 -0.570 0.596 725 HA LEU 98 HA LEU 98 19.206 0.855 1.613 726 HB2 LEU 98 1HB LEU 98 19.711 2.058 -0.356 727 HB3 LEU 98 2HB LEU 98 20.055 0.582 -1.256 728 HG LEU 98 HG LEU 98 17.493 0.118 -0.751 729 HD11 LEU 98 1HD1 LEU 98 17.854 3.050 -0.363 730 HD12 LEU 98 2HD1 LEU 98 16.784 1.924 0.471 731 HD13 LEU 98 3HD1 LEU 98 16.398 2.459 -1.164 732 HD21 LEU 98 1HD2 LEU 98 18.884 0.589 -2.945 733 HD22 LEU 98 2HD2 LEU 98 17.991 2.110 -2.902 734 HD23 LEU 98 3HD2 LEU 98 17.120 0.576 -2.957 735 H LYS 99 H LYS 99 17.422 -0.382 1.846 736 HA LYS 99 HA LYS 99 17.341 -3.017 0.573 737 HB2 LYS 99 1HB LYS 99 16.802 -4.143 2.637 738 HB3 LYS 99 2HB LYS 99 18.327 -3.290 2.838 739 HG2 LYS 99 1HG LYS 99 17.262 -1.554 4.098 740 HG3 LYS 99 2HG LYS 99 15.666 -2.229 3.763 741 HD2 LYS 99 1HD LYS 99 16.008 -3.098 5.846 742 HD3 LYS 99 2HD LYS 99 16.749 -4.375 4.880 743 HE2 LYS 99 1HE LYS 99 18.255 -3.878 6.648 744 HE3 LYS 99 2HE LYS 99 18.942 -3.188 5.179 745 HZ1 LYS 99 1HZ LYS 99 18.361 -1.885 7.570 746 HZ2 LYS 99 2HZ LYS 99 17.294 -1.273 6.409 747 HZ3 LYS 99 3HZ LYS 99 18.963 -1.211 6.140 748 H ALA 100 H ALA 100 15.373 -3.547 -0.162 749 HA ALA 100 HA ALA 100 13.221 -1.652 0.149 750 HB1 ALA 100 1HB ALA 100 13.996 -3.360 -1.862 751 HB2 ALA 100 2HB ALA 100 12.549 -4.135 -1.215 752 HB3 ALA 100 3HB ALA 100 12.476 -2.469 -1.790 753 H PHE 101 H PHE 101 11.685 -1.742 1.641 754 HA PHE 101 HA PHE 101 11.059 -4.347 2.864 755 HB2 PHE 101 1HB PHE 101 10.821 -3.325 5.011 756 HB3 PHE 101 2HB PHE 101 12.368 -2.794 4.361 757 HD1 PHE 101 1HD PHE 101 8.823 -1.749 4.723 758 HD2 PHE 101 2HD PHE 101 12.873 -0.533 4.236 759 HE1 PHE 101 1HE PHE 101 8.157 0.594 5.068 760 HE2 PHE 101 2HE PHE 101 12.213 1.812 4.580 761 HZ PHE 101 HZ PHE 101 9.853 2.378 4.998 762 H ASN 102 H ASN 102 8.881 -4.437 3.857 763 HA ASN 102 HA ASN 102 6.918 -2.510 3.014 764 HB2 ASN 102 1HB ASN 102 5.654 -3.907 1.541 765 HB3 ASN 102 2HB ASN 102 7.318 -3.925 0.964 766 HD21 ASN 102 1HD2 ASN 102 5.766 -5.871 0.082 767 HD22 ASN 102 2HD2 ASN 102 6.128 -7.375 0.851 768 H ASN 103 H ASN 103 4.608 -3.746 3.354 769 HA ASN 103 HA ASN 103 4.293 -4.033 6.080 770 HB2 ASN 103 1HB ASN 103 2.538 -3.775 4.150 771 HB3 ASN 103 2HB ASN 103 2.489 -5.535 4.214 772 HD21 ASN 103 1HD2 ASN 103 0.601 -3.277 4.976 773 HD22 ASN 103 2HD2 ASN 103 0.072 -3.703 6.564 774 H VAL 104 H VAL 104 5.070 -6.466 3.674 775 HA VAL 104 HA VAL 104 4.646 -8.747 5.285 776 HB VAL 104 HB VAL 104 6.582 -8.434 2.986 777 HG11 VAL 104 1HG1 VAL 104 5.394 -11.032 3.260 778 HG12 VAL 104 2HG1 VAL 104 7.099 -10.578 3.253 779 HG13 VAL 104 3HG1 VAL 104 6.189 -10.569 4.764 780 HG21 VAL 104 1HG2 VAL 104 3.817 -9.584 2.811 781 HG22 VAL 104 2HG2 VAL 104 4.108 -7.857 2.604 782 HG23 VAL 104 3HG2 VAL 104 4.866 -9.017 1.512 783 H GLY 105 H GLY 105 7.592 -6.882 4.563 784 HA2 GLY 105 1HA GLY 105 8.703 -7.068 7.101 785 HA3 GLY 105 2HA GLY 105 9.297 -8.455 6.199 786 H GLU 106 H GLU 106 11.328 -8.054 5.625 787 HA GLU 106 HA GLU 106 11.894 -5.517 4.255 788 HB2 GLU 106 1HB GLU 106 13.840 -6.831 6.148 789 HB3 GLU 106 2HB GLU 106 13.980 -5.253 5.387 790 HG2 GLU 106 1HG GLU 106 11.899 -4.606 6.681 791 HG3 GLU 106 2HG GLU 106 12.137 -6.091 7.600 792 H GLY 107 H GLY 107 13.748 -5.601 2.811 793 HA2 GLY 107 1HA GLY 107 14.061 -8.301 1.675 794 HA3 GLY 107 2HA GLY 107 14.243 -6.798 0.783 795 H ILE 108 H ILE 108 16.253 -7.949 0.102 796 HA ILE 108 HA ILE 108 18.376 -8.086 2.068 797 HB ILE 108 HB ILE 108 18.795 -8.373 -0.889 798 HG12 ILE 108 1HG1 ILE 108 16.793 -9.718 -0.204 799 HG13 ILE 108 2HG1 ILE 108 18.136 -10.685 -0.803 800 HG21 ILE 108 1HG2 ILE 108 20.050 -10.118 1.152 801 HG22 ILE 108 2HG2 ILE 108 20.716 -9.457 -0.340 802 HG23 ILE 108 3HG2 ILE 108 20.568 -8.433 1.088 803 HD11 ILE 108 1HD1 ILE 108 16.745 -11.042 1.564 804 HD12 ILE 108 2HD1 ILE 108 18.257 -11.819 1.094 805 HD13 ILE 108 3HD1 ILE 108 18.286 -10.341 2.055 806 HA PRO 109 HA PRO 109 19.584 -3.860 1.392 807 HB2 PRO 109 1HB PRO 109 21.815 -3.945 2.937 808 HB3 PRO 109 2HB PRO 109 20.183 -3.845 3.610 809 HG2 PRO 109 1HG PRO 109 21.954 -6.236 3.284 810 HG3 PRO 109 2HG PRO 109 20.938 -5.776 4.662 811 HD2 PRO 109 1HD PRO 109 20.181 -7.643 2.853 812 HD3 PRO 109 2HD PRO 109 19.017 -6.586 3.677 813 H LEU 110 H LEU 110 21.543 -2.703 0.639 814 HA LEU 110 HA LEU 110 23.190 -4.411 -1.108 815 HB2 LEU 110 1HB LEU 110 22.031 -1.678 -1.567 816 HB3 LEU 110 2HB LEU 110 23.369 -2.303 -2.529 817 HG LEU 110 HG LEU 110 20.694 -3.674 -2.324 818 HD11 LEU 110 1HD1 LEU 110 21.685 -1.698 -4.371 819 HD12 LEU 110 2HD1 LEU 110 20.305 -1.510 -3.290 820 HD13 LEU 110 3HD1 LEU 110 20.263 -2.722 -4.570 821 HD21 LEU 110 1HD2 LEU 110 22.092 -4.163 -4.740 822 HD22 LEU 110 2HD2 LEU 110 21.691 -5.301 -3.454 823 HD23 LEU 110 3HD2 LEU 110 23.216 -4.415 -3.405 824 H TYR 111 H TYR 111 25.212 -3.058 -1.861 825 HA TYR 111 HA TYR 111 26.333 -1.587 0.418 826 HB2 TYR 111 1HB TYR 111 27.371 -4.100 -0.815 827 HB3 TYR 111 2HB TYR 111 28.532 -2.901 -0.257 828 HD1 TYR 111 2HD TYR 111 25.532 -4.789 0.909 829 HD2 TYR 111 1HD TYR 111 29.213 -2.931 1.960 830 HE1 TYR 111 2HE TYR 111 25.302 -5.645 3.204 831 HE2 TYR 111 1HE TYR 111 28.994 -3.782 4.257 832 HH TYR 111 HH TYR 111 26.507 -4.617 5.680 833 H GLU 112 H GLU 112 27.242 0.257 -0.195 834 HA GLU 112 HA GLU 112 28.378 0.462 -2.895 835 HB2 GLU 112 1HB GLU 112 26.210 2.103 -1.689 836 HB3 GLU 112 2HB GLU 112 27.410 2.942 -2.663 837 HG2 GLU 112 1HG GLU 112 25.522 0.769 -3.502 838 HG3 GLU 112 2HG GLU 112 25.647 2.415 -4.119 839 H SER 113 H SER 113 29.573 2.680 -3.072 840 HA SER 113 HA SER 113 30.898 3.349 -0.544 841 HB2 SER 113 1HB SER 113 33.112 3.270 -1.672 842 HB3 SER 113 2HB SER 113 32.340 1.687 -1.587 843 HG SER 113 HG SER 113 31.853 3.231 -3.853 844 H ALA 114 H ALA 114 31.361 5.465 -0.309 845 HA ALA 114 HA ALA 114 31.407 7.210 -2.648 846 HB1 ALA 114 1HB ALA 114 29.035 6.998 -1.646 847 HB2 ALA 114 2HB ALA 114 29.670 8.005 -0.344 848 HB3 ALA 114 3HB ALA 114 29.670 8.605 -2.002 849 H VAL 115 H VAL 115 33.238 8.309 -2.464 850 HA VAL 115 HA VAL 115 34.251 8.974 0.209 851 HB VAL 115 HB VAL 115 35.677 9.025 -2.454 852 HG11 VAL 115 1HG1 VAL 115 36.496 10.680 -0.783 853 HG12 VAL 115 2HG1 VAL 115 36.835 9.338 0.311 854 HG13 VAL 115 3HG1 VAL 115 37.689 9.461 -1.228 855 HG21 VAL 115 1HG2 VAL 115 35.978 7.101 -0.151 856 HG22 VAL 115 2HG2 VAL 115 35.091 6.761 -1.636 857 HG23 VAL 115 3HG2 VAL 115 36.830 7.045 -1.693 858 H THR 116 H THR 116 33.363 10.866 0.826 859 HA THR 116 HA THR 116 32.475 12.963 -0.697 860 HB THR 116 HB THR 116 32.929 14.433 1.278 861 HG1 THR 116 1HG THR 116 33.632 12.933 3.160 862 HG21 THR 116 1HG2 THR 116 31.108 12.389 1.004 863 HG22 THR 116 2HG2 THR 116 31.065 13.642 2.244 864 HG23 THR 116 3HG2 THR 116 31.806 12.081 2.593 865 H ARG 117 H ARG 117 33.335 14.884 -1.479 866 HA ARG 117 HA ARG 117 36.050 14.744 -2.366 867 HB2 ARG 117 1HB ARG 117 33.798 16.686 -2.709 868 HB3 ARG 117 2HB ARG 117 35.431 17.175 -3.141 869 HG2 ARG 117 1HG ARG 117 35.546 15.149 -4.613 870 HG3 ARG 117 2HG ARG 117 33.826 14.912 -4.298 871 HD2 ARG 117 1HD ARG 117 33.922 16.096 -6.325 872 HD3 ARG 117 2HD ARG 117 33.508 17.301 -5.106 873 HE ARG 117 HE ARG 117 36.184 17.501 -5.218 874 HH11 ARG 117 2HH1 ARG 117 33.736 17.460 -7.693 875 HH12 ARG 117 1HH1 ARG 117 34.635 18.464 -8.782 876 HH21 ARG 117 2HH2 ARG 117 37.377 18.823 -6.642 877 HH22 ARG 117 1HH2 ARG 117 36.707 19.238 -8.183 878 HA PRO 118 HA PRO 118 38.156 17.024 0.735 879 HB2 PRO 118 1HB PRO 118 39.933 18.460 -0.731 880 HB3 PRO 118 2HB PRO 118 40.075 16.715 -0.489 881 HG2 PRO 118 1HG PRO 118 38.979 18.219 -2.834 882 HG3 PRO 118 2HG PRO 118 40.043 16.801 -2.813 883 HD2 PRO 118 1HD PRO 118 37.381 16.618 -3.269 884 HD3 PRO 118 2HD PRO 118 38.299 15.340 -2.446 885 H HIS 119 H HIS 119 37.250 18.621 1.863 886 HA HIS 119 HA HIS 119 36.242 20.989 0.476 887 HB2 HIS 119 1HB HIS 119 34.769 19.791 2.086 888 HB3 HIS 119 2HB HIS 119 35.904 20.187 3.373 889 HD1 HIS 119 1HD HIS 119 34.668 22.535 0.668 890 HD2 HIS 119 2HD HIS 119 34.427 21.999 4.781 891 HE1 HIS 119 1HE HIS 119 33.494 24.579 1.545 892 HE2 HIS 119 2HE HIS 119 33.436 24.272 4.045 893 H THR 120 H THR 120 39.049 20.707 0.651 894 HA THR 120 HA THR 120 39.891 22.536 2.765 895 HB THR 120 HB THR 120 42.198 22.103 1.844 896 HG1 THR 120 1HG THR 120 42.420 20.458 0.332 897 HG21 THR 120 1HG2 THR 120 42.426 20.295 3.194 898 HG22 THR 120 2HG2 THR 120 41.103 19.420 2.423 899 HG23 THR 120 3HG2 THR 120 40.756 20.675 3.612 900 H SER 121 H SER 121 38.820 24.412 1.937 901 HA SER 121 HA SER 121 40.470 25.895 0.095 902 HB2 SER 121 1HB SER 121 37.626 25.158 -0.609 903 HB3 SER 121 2HB SER 121 38.468 26.523 -1.343 904 HG SER 121 HG SER 121 39.482 25.172 -2.580 905 H GLY 122 H GLY 122 39.997 28.165 0.086 906 HA2 GLY 122 1HA GLY 122 38.772 29.013 2.595 907 HA3 GLY 122 2HA GLY 122 39.778 29.997 1.543 908 HA PRO 123 HA PRO 123 35.568 31.629 0.917 909 HB2 PRO 123 1HB PRO 123 36.408 34.143 0.332 910 HB3 PRO 123 2HB PRO 123 36.203 33.559 1.988 911 HG2 PRO 123 1HG PRO 123 38.704 33.796 0.360 912 HG3 PRO 123 2HG PRO 123 38.434 34.212 2.062 913 HD2 PRO 123 1HD PRO 123 39.639 31.911 1.298 914 HD3 PRO 123 2HD PRO 123 38.637 32.024 2.759 915 H SER 124 H SER 124 38.211 31.032 -1.066 916 HA SER 124 HA SER 124 37.598 32.375 -3.434 917 HB2 SER 124 1HB SER 124 39.690 31.028 -2.914 918 HB3 SER 124 2HB SER 124 38.753 29.586 -3.304 919 HG SER 124 HG SER 124 40.060 30.741 -5.030 920 H SER 125 H SER 125 36.624 29.115 -2.386 921 HA SER 125 HA SER 125 35.073 28.491 -4.634 922 HB2 SER 125 1HB SER 125 35.840 26.869 -2.874 923 HB3 SER 125 2HB SER 125 34.591 27.516 -1.811 924 HG SER 125 HG SER 125 33.034 26.749 -3.179 925 H GLY 126 H GLY 126 33.912 29.496 -1.407 926 HA2 GLY 126 1HA GLY 126 32.335 31.362 -1.264 927 HA3 GLY 126 2HA GLY 126 31.627 30.785 -2.765 Start of MODEL 4 1 H1 GLY 1 H GLY 1 34.680 3.658 23.905 2 HA2 GLY 1 1HA GLY 1 33.232 4.864 21.697 3 HA3 GLY 1 2HA GLY 1 33.280 3.156 22.106 4 H SER 2 H SER 2 30.903 3.790 21.442 5 HA SER 2 HA SER 2 29.339 3.529 23.796 6 HB2 SER 2 1HB SER 2 29.798 5.987 23.851 7 HB3 SER 2 2HB SER 2 28.982 6.133 22.295 8 HG SER 2 HG SER 2 27.911 6.034 24.747 9 H SER 3 H SER 3 27.128 3.079 23.349 10 HA SER 3 HA SER 3 26.502 2.702 20.497 11 HB2 SER 3 1HB SER 3 25.657 0.523 20.872 12 HB3 SER 3 2HB SER 3 27.186 0.571 21.751 13 HG SER 3 HG SER 3 24.622 1.005 22.893 14 H GLY 4 H GLY 4 24.089 2.221 20.206 15 HA2 GLY 4 1HA GLY 4 22.275 3.190 22.194 16 HA3 GLY 4 2HA GLY 4 22.575 4.393 20.948 17 H SER 5 H SER 5 20.057 3.684 21.142 18 HA SER 5 HA SER 5 19.639 1.865 18.864 19 HB2 SER 5 1HB SER 5 18.958 1.023 21.249 20 HB3 SER 5 2HB SER 5 17.584 2.107 21.038 21 HG SER 5 HG SER 5 18.191 0.383 18.936 22 H SER 6 H SER 6 17.786 2.314 17.559 23 HA SER 6 HA SER 6 16.475 4.891 17.966 24 HB2 SER 6 1HB SER 6 18.229 4.198 15.621 25 HB3 SER 6 2HB SER 6 16.920 5.368 15.461 26 HG SER 6 HG SER 6 17.988 6.755 16.674 27 H GLY 7 H GLY 7 14.377 4.470 17.841 28 HA2 GLY 7 1HA GLY 7 13.425 2.188 16.309 29 HA3 GLY 7 2HA GLY 7 12.472 3.185 17.398 30 HA PRO 8 HA PRO 8 11.785 4.259 12.816 31 HB2 PRO 8 1HB PRO 8 9.324 3.148 12.528 32 HB3 PRO 8 2HB PRO 8 10.820 2.272 12.183 33 HG2 PRO 8 1HG PRO 8 9.092 2.182 14.626 34 HG3 PRO 8 2HG PRO 8 9.868 0.846 13.755 35 HD2 PRO 8 1HD PRO 8 10.890 1.886 16.036 36 HD3 PRO 8 2HD PRO 8 11.914 1.221 14.747 37 H ALA 9 H ALA 9 9.621 4.172 15.612 38 HA ALA 9 HA ALA 9 7.909 5.572 16.252 39 HB1 ALA 9 1HB ALA 9 9.647 7.870 15.517 40 HB2 ALA 9 2HB ALA 9 8.749 7.560 17.003 41 HB3 ALA 9 3HB ALA 9 10.253 6.696 16.685 42 H THR 10 H THR 10 7.735 4.815 13.471 43 HA THR 10 HA THR 10 6.785 7.247 12.150 44 HB THR 10 HB THR 10 8.250 5.624 10.910 45 HG1 THR 10 1HG THR 10 6.864 5.690 9.018 46 HG21 THR 10 1HG2 THR 10 7.209 3.569 11.852 47 HG22 THR 10 2HG2 THR 10 7.307 3.561 10.091 48 HG23 THR 10 3HG2 THR 10 5.771 3.902 10.887 49 H ASP 11 H ASP 11 4.698 7.752 12.037 50 HA ASP 11 HA ASP 11 2.701 5.629 12.431 51 HB2 ASP 11 1HB ASP 11 2.766 8.343 13.756 52 HB3 ASP 11 2HB ASP 11 1.336 7.316 13.719 53 H TRP 12 H TRP 12 1.948 5.494 10.384 54 HA TRP 12 HA TRP 12 0.901 7.974 9.183 55 HB2 TRP 12 1HB TRP 12 2.373 5.675 7.955 56 HB3 TRP 12 2HB TRP 12 1.190 6.551 6.987 57 HD1 TRP 12 HD TRP 12 4.572 7.035 8.733 58 HE1 TRP 12 1HE TRP 12 5.709 9.122 7.745 59 HE3 TRP 12 3HE TRP 12 0.735 8.746 5.820 60 HZ2 TRP 12 2HZ TRP 12 5.063 11.218 5.967 61 HZ3 TRP 12 3HZ TRP 12 1.076 10.799 4.507 62 HH2 TRP 12 HH TRP 12 3.196 12.008 4.580 63 H LEU 13 H LEU 13 -0.960 7.649 7.729 64 HA LEU 13 HA LEU 13 -2.823 5.757 8.921 65 HB2 LEU 13 1HB LEU 13 -3.087 8.160 7.162 66 HB3 LEU 13 2HB LEU 13 -4.417 7.011 7.290 67 HG LEU 13 HG LEU 13 -4.577 9.040 8.765 68 HD11 LEU 13 1HD1 LEU 13 -4.502 6.394 10.204 69 HD12 LEU 13 2HD1 LEU 13 -5.817 6.937 9.163 70 HD13 LEU 13 3HD1 LEU 13 -5.445 7.817 10.645 71 HD21 LEU 13 1HD2 LEU 13 -3.163 9.382 10.552 72 HD22 LEU 13 2HD2 LEU 13 -2.039 8.814 9.317 73 HD23 LEU 13 3HD2 LEU 13 -2.605 7.709 10.570 74 H SER 14 H SER 14 -4.475 4.804 7.299 75 HA SER 14 HA SER 14 -2.925 3.470 5.190 76 HB2 SER 14 1HB SER 14 -4.642 1.700 5.302 77 HB3 SER 14 2HB SER 14 -3.893 1.975 6.874 78 HG SER 14 HG SER 14 -5.714 2.839 7.615 79 H ALA 15 H ALA 15 -3.815 3.170 3.114 80 HA ALA 15 HA ALA 15 -6.067 4.958 2.462 81 HB1 ALA 15 1HB ALA 15 -3.367 5.096 1.546 82 HB2 ALA 15 2HB ALA 15 -4.423 4.724 0.183 83 HB3 ALA 15 3HB ALA 15 -4.725 6.156 1.166 84 H GLU 16 H GLU 16 -7.456 4.297 0.802 85 HA GLU 16 HA GLU 16 -7.335 1.420 0.227 86 HB2 GLU 16 1HB GLU 16 -9.726 1.538 -0.173 87 HB3 GLU 16 2HB GLU 16 -9.349 2.235 1.396 88 HG2 GLU 16 1HG GLU 16 -9.511 4.054 -0.943 89 HG3 GLU 16 2HG GLU 16 -11.009 3.402 -0.281 90 H THR 17 H THR 17 -5.659 3.032 -1.275 91 HA THR 17 HA THR 17 -7.010 3.147 -3.892 92 HB THR 17 HB THR 17 -6.072 5.313 -3.042 93 HG1 THR 17 1HG THR 17 -6.213 4.563 -5.374 94 HG21 THR 17 1HG2 THR 17 -3.388 5.100 -3.692 95 HG22 THR 17 2HG2 THR 17 -3.712 3.640 -2.757 96 HG23 THR 17 3HG2 THR 17 -4.060 5.225 -2.067 97 H PHE 18 H PHE 18 -5.954 0.735 -2.733 98 HA PHE 18 HA PHE 18 -4.123 0.011 -4.875 99 HB2 PHE 18 1HB PHE 18 -2.456 -0.947 -3.458 100 HB3 PHE 18 2HB PHE 18 -2.732 0.693 -2.882 101 HD1 PHE 18 1HD PHE 18 -4.912 0.655 -1.146 102 HD2 PHE 18 2HD PHE 18 -2.026 -2.413 -1.759 103 HE1 PHE 18 1HE PHE 18 -5.359 -0.212 1.113 104 HE2 PHE 18 2HE PHE 18 -2.469 -3.285 0.498 105 HZ PHE 18 HZ PHE 18 -4.138 -2.185 1.937 106 H GLU 19 H GLU 19 -4.934 -1.742 -5.796 107 HA GLU 19 HA GLU 19 -6.939 -3.332 -4.523 108 HB2 GLU 19 1HB GLU 19 -5.458 -3.758 -7.124 109 HB3 GLU 19 2HB GLU 19 -6.865 -4.673 -6.601 110 HG2 GLU 19 1HG GLU 19 -7.786 -3.123 -8.029 111 HG3 GLU 19 2HG GLU 19 -8.017 -2.365 -6.454 112 H SER 20 H SER 20 -6.841 -5.589 -4.083 113 HA SER 20 HA SER 20 -4.276 -6.391 -2.987 114 HB2 SER 20 1HB SER 20 -6.964 -7.782 -2.869 115 HB3 SER 20 2HB SER 20 -5.529 -8.226 -1.945 116 HG SER 20 HG SER 20 -5.892 -6.630 -0.611 117 H ASP 21 H ASP 21 -4.180 -6.295 -5.738 118 HA ASP 21 HA ASP 21 -4.276 -9.118 -6.561 119 HB2 ASP 21 1HB ASP 21 -5.561 -7.443 -7.928 120 HB3 ASP 21 2HB ASP 21 -4.022 -6.697 -8.351 121 H LEU 22 H LEU 22 -2.206 -8.465 -4.908 122 HA LEU 22 HA LEU 22 0.072 -8.827 -6.688 123 HB2 LEU 22 1HB LEU 22 -0.010 -6.717 -4.536 124 HB3 LEU 22 2HB LEU 22 1.424 -7.187 -5.447 125 HG LEU 22 HG LEU 22 -0.997 -6.137 -6.865 126 HD11 LEU 22 1HD1 LEU 22 1.213 -4.371 -5.854 127 HD12 LEU 22 2HD1 LEU 22 -0.301 -4.591 -4.976 128 HD13 LEU 22 3HD1 LEU 22 -0.315 -3.903 -6.600 129 HD21 LEU 22 1HD2 LEU 22 1.915 -6.475 -7.432 130 HD22 LEU 22 2HD2 LEU 22 0.996 -5.232 -8.280 131 HD23 LEU 22 3HD2 LEU 22 0.519 -6.925 -8.411 132 H ASP 23 H ASP 23 2.093 -9.325 -5.336 133 HA ASP 23 HA ASP 23 1.294 -11.220 -3.247 134 HB2 ASP 23 1HB ASP 23 3.595 -11.048 -5.145 135 HB3 ASP 23 2HB ASP 23 3.826 -11.895 -3.618 136 H GLU 24 H GLU 24 1.033 -9.578 -1.629 137 HA GLU 24 HA GLU 24 3.342 -8.034 -0.827 138 HB2 GLU 24 1HB GLU 24 1.177 -6.995 -0.612 139 HB3 GLU 24 2HB GLU 24 0.583 -8.330 0.365 140 HG2 GLU 24 1HG GLU 24 2.201 -7.735 2.120 141 HG3 GLU 24 2HG GLU 24 2.721 -6.361 1.146 142 H THR 25 H THR 25 1.635 -10.913 0.215 143 HA THR 25 HA THR 25 2.497 -11.348 2.748 144 HB THR 25 HB THR 25 2.546 -13.779 2.249 145 HG1 THR 25 1HG THR 25 2.130 -12.921 -0.441 146 HG21 THR 25 1HG2 THR 25 0.200 -13.899 1.322 147 HG22 THR 25 2HG2 THR 25 0.279 -12.149 1.112 148 HG23 THR 25 3HG2 THR 25 0.407 -12.852 2.725 149 H ARG 26 H ARG 26 4.459 -11.225 -0.091 150 HA ARG 26 HA ARG 26 6.775 -12.248 1.402 151 HB2 ARG 26 1HB ARG 26 7.870 -12.372 -0.845 152 HB3 ARG 26 2HB ARG 26 6.467 -13.416 -0.667 153 HG2 ARG 26 1HG ARG 26 5.114 -11.958 -1.969 154 HG3 ARG 26 2HG ARG 26 6.358 -10.706 -1.963 155 HD2 ARG 26 1HD ARG 26 6.375 -11.823 -4.095 156 HD3 ARG 26 2HD ARG 26 7.845 -12.238 -3.214 157 HE ARG 26 HE ARG 26 6.035 -14.229 -2.632 158 HH11 ARG 26 2HH1 ARG 26 7.530 -12.925 -5.493 159 HH12 ARG 26 1HH1 ARG 26 7.485 -14.425 -6.359 160 HH21 ARG 26 2HH2 ARG 26 5.970 -16.209 -3.761 161 HH22 ARG 26 1HH2 ARG 26 6.596 -16.292 -5.373 162 H VAL 27 H VAL 27 8.659 -11.046 1.576 163 HA VAL 27 HA VAL 27 8.296 -8.183 1.468 164 HB VAL 27 HB VAL 27 10.420 -8.015 2.592 165 HG11 VAL 27 1HG1 VAL 27 9.448 -10.382 4.025 166 HG12 VAL 27 2HG1 VAL 27 9.628 -8.714 4.573 167 HG13 VAL 27 3HG1 VAL 27 8.205 -9.191 3.645 168 HG21 VAL 27 1HG2 VAL 27 12.070 -9.475 2.308 169 HG22 VAL 27 2HG2 VAL 27 11.077 -10.789 2.940 170 HG23 VAL 27 3HG2 VAL 27 11.021 -10.389 1.223 171 HA PRO 28 HA PRO 28 10.273 -7.414 -2.383 172 HB2 PRO 28 1HB PRO 28 11.271 -4.933 -1.916 173 HB3 PRO 28 2HB PRO 28 9.549 -5.245 -2.163 174 HG2 PRO 28 1HG PRO 28 11.056 -4.862 0.395 175 HG3 PRO 28 2HG PRO 28 9.479 -4.208 -0.083 176 HD2 PRO 28 1HD PRO 28 9.733 -6.360 1.541 177 HD3 PRO 28 2HD PRO 28 8.375 -6.170 0.413 178 H GLU 29 H GLU 29 11.981 -8.814 -2.600 179 HA GLU 29 HA GLU 29 14.300 -8.890 -1.063 180 HB2 GLU 29 1HB GLU 29 14.230 -9.551 -4.002 181 HB3 GLU 29 2HB GLU 29 15.238 -10.268 -2.752 182 HG2 GLU 29 1HG GLU 29 13.172 -11.201 -1.720 183 HG3 GLU 29 2HG GLU 29 12.273 -10.613 -3.117 184 H VAL 30 H VAL 30 16.544 -8.583 -2.330 185 HA VAL 30 HA VAL 30 17.245 -5.960 -2.228 186 HB VAL 30 HB VAL 30 19.067 -7.364 -2.400 187 HG11 VAL 30 1HG1 VAL 30 17.515 -8.693 -4.570 188 HG12 VAL 30 2HG1 VAL 30 19.268 -8.885 -4.526 189 HG13 VAL 30 3HG1 VAL 30 18.290 -9.391 -3.148 190 HG21 VAL 30 1HG2 VAL 30 18.878 -5.366 -4.232 191 HG22 VAL 30 2HG2 VAL 30 20.340 -6.301 -3.919 192 HG23 VAL 30 3HG2 VAL 30 19.283 -6.741 -5.260 193 HA PRO 31 HA PRO 31 15.231 -4.013 -5.651 194 HB2 PRO 31 1HB PRO 31 16.601 -1.671 -5.575 195 HB3 PRO 31 2HB PRO 31 15.340 -2.084 -4.408 196 HG2 PRO 31 1HG PRO 31 18.314 -2.277 -4.130 197 HG3 PRO 31 2HG PRO 31 17.117 -1.689 -2.961 198 HD2 PRO 31 1HD PRO 31 18.192 -4.170 -2.823 199 HD3 PRO 31 2HD PRO 31 16.532 -3.818 -2.299 200 H SER 32 H SER 32 15.800 -2.978 -7.727 201 HA SER 32 HA SER 32 17.401 -4.466 -9.336 202 HB2 SER 32 1HB SER 32 16.119 -3.033 -10.584 203 HB3 SER 32 2HB SER 32 16.389 -1.672 -9.495 204 HG SER 32 HG SER 32 17.494 -1.301 -11.407 205 H SER 33 H SER 33 18.377 -1.379 -7.844 206 HA SER 33 HA SER 33 20.994 -2.260 -7.253 207 HB2 SER 33 1HB SER 33 22.305 -1.085 -8.877 208 HB3 SER 33 2HB SER 33 21.129 -2.049 -9.769 209 HG SER 33 HG SER 33 21.448 0.649 -9.684 210 H LEU 34 H LEU 34 22.458 -0.162 -6.904 211 HA LEU 34 HA LEU 34 20.869 2.089 -5.958 212 HB2 LEU 34 1HB LEU 34 20.814 1.112 -3.917 213 HB3 LEU 34 2HB LEU 34 22.241 0.127 -4.231 214 HG LEU 34 HG LEU 34 23.618 2.207 -3.883 215 HD11 LEU 34 1HD1 LEU 34 22.327 4.065 -4.050 216 HD12 LEU 34 2HD1 LEU 34 22.208 3.820 -2.308 217 HD13 LEU 34 3HD1 LEU 34 20.905 3.278 -3.365 218 HD21 LEU 34 1HD2 LEU 34 23.846 1.730 -1.671 219 HD22 LEU 34 2HD2 LEU 34 22.869 0.341 -2.147 220 HD23 LEU 34 3HD2 LEU 34 22.107 1.733 -1.375 221 H HIS 35 H HIS 35 21.831 3.865 -6.664 222 HA HIS 35 HA HIS 35 24.752 3.838 -7.030 223 HB2 HIS 35 1HB HIS 35 23.695 4.177 -9.139 224 HB3 HIS 35 2HB HIS 35 22.580 5.363 -8.466 225 HD1 HIS 35 1HD HIS 35 23.199 7.709 -8.918 226 HD2 HIS 35 2HD HIS 35 26.513 5.205 -8.967 227 HE1 HIS 35 1HE HIS 35 25.140 9.175 -9.555 228 HE2 HIS 35 2HE HIS 35 27.119 7.622 -9.661 229 H VAL 36 H VAL 36 25.978 5.617 -6.365 230 HA VAL 36 HA VAL 36 24.615 7.643 -4.739 231 HB VAL 36 HB VAL 36 26.381 7.443 -2.997 232 HG11 VAL 36 1HG1 VAL 36 25.309 4.764 -2.829 233 HG12 VAL 36 2HG1 VAL 36 24.956 6.183 -1.841 234 HG13 VAL 36 3HG1 VAL 36 24.084 5.919 -3.352 235 HG21 VAL 36 1HG2 VAL 36 27.392 5.476 -4.885 236 HG22 VAL 36 2HG2 VAL 36 28.217 6.303 -3.564 237 HG23 VAL 36 3HG2 VAL 36 27.276 4.847 -3.241 238 H ARG 37 H ARG 37 25.998 9.510 -4.243 239 HA ARG 37 HA ARG 37 28.295 9.835 -6.029 240 HB2 ARG 37 1HB ARG 37 25.968 10.748 -6.915 241 HB3 ARG 37 2HB ARG 37 26.355 12.094 -5.852 242 HG2 ARG 37 1HG ARG 37 28.055 11.077 -8.120 243 HG3 ARG 37 2HG ARG 37 27.079 12.547 -8.120 244 HD2 ARG 37 1HD ARG 37 28.451 13.556 -6.461 245 HD3 ARG 37 2HD ARG 37 29.289 12.038 -6.141 246 HE ARG 37 HE ARG 37 30.674 12.487 -7.899 247 HH11 ARG 37 2HH1 ARG 37 27.818 14.456 -8.189 248 HH12 ARG 37 1HH1 ARG 37 28.422 15.364 -9.535 249 HH21 ARG 37 2HH2 ARG 37 31.480 13.676 -9.672 250 HH22 ARG 37 1HH2 ARG 37 30.505 14.919 -10.378 251 HA PRO 38 HA PRO 38 29.655 11.445 -2.060 252 HB2 PRO 38 1HB PRO 38 32.279 11.560 -2.747 253 HB3 PRO 38 2HB PRO 38 31.477 10.060 -2.267 254 HG2 PRO 38 1HG PRO 38 32.104 11.077 -5.011 255 HG3 PRO 38 2HG PRO 38 32.280 9.438 -4.358 256 HD2 PRO 38 1HD PRO 38 30.191 10.169 -5.918 257 HD3 PRO 38 2HD PRO 38 30.043 8.954 -4.632 258 H LEU 39 H LEU 39 29.333 13.530 -1.624 259 HA LEU 39 HA LEU 39 30.428 15.543 -3.477 260 HB2 LEU 39 1HB LEU 39 27.879 15.384 -1.965 261 HB3 LEU 39 2HB LEU 39 28.616 16.973 -2.160 262 HG LEU 39 HG LEU 39 28.659 16.332 -4.691 263 HD11 LEU 39 1HD1 LEU 39 27.984 14.043 -4.507 264 HD12 LEU 39 2HD1 LEU 39 26.683 14.942 -5.287 265 HD13 LEU 39 3HD1 LEU 39 26.546 14.489 -3.588 266 HD21 LEU 39 1HD2 LEU 39 27.351 18.150 -3.615 267 HD22 LEU 39 2HD2 LEU 39 26.046 16.996 -3.340 268 HD23 LEU 39 3HD2 LEU 39 26.530 17.404 -4.987 269 H VAL 40 H VAL 40 31.269 17.489 -2.556 270 HA VAL 40 HA VAL 40 33.174 17.371 -0.718 271 HB VAL 40 HB VAL 40 31.223 19.658 -1.001 272 HG11 VAL 40 1HG1 VAL 40 33.428 19.273 0.852 273 HG12 VAL 40 2HG1 VAL 40 33.626 20.713 -0.149 274 HG13 VAL 40 3HG1 VAL 40 32.172 20.510 0.829 275 HG21 VAL 40 1HG2 VAL 40 33.623 18.754 -2.458 276 HG22 VAL 40 2HG2 VAL 40 32.228 19.671 -3.026 277 HG23 VAL 40 3HG2 VAL 40 33.517 20.485 -2.141 278 H THR 41 H THR 41 30.123 18.805 0.406 279 HA THR 41 HA THR 41 30.542 17.444 2.987 280 HB THR 41 HB THR 41 29.059 19.308 3.903 281 HG1 THR 41 1HG THR 41 29.460 21.260 2.399 282 HG21 THR 41 1HG2 THR 41 30.900 20.706 4.322 283 HG22 THR 41 2HG2 THR 41 31.646 20.336 2.767 284 HG23 THR 41 3HG2 THR 41 31.612 19.118 4.042 285 H SER 42 H SER 42 29.054 16.545 0.529 286 HA SER 42 HA SER 42 26.646 15.708 1.927 287 HB2 SER 42 1HB SER 42 25.424 16.234 -0.380 288 HB3 SER 42 2HB SER 42 25.538 17.442 0.900 289 HG SER 42 HG SER 42 27.676 17.879 -0.339 290 H ILE 43 H ILE 43 25.329 14.273 0.199 291 HA ILE 43 HA ILE 43 26.995 12.803 -1.621 292 HB ILE 43 HB ILE 43 26.043 11.423 0.891 293 HG12 ILE 43 1HG1 ILE 43 28.798 12.119 -0.135 294 HG13 ILE 43 2HG1 ILE 43 28.042 12.670 1.355 295 HG21 ILE 43 1HG2 ILE 43 26.043 10.254 -1.481 296 HG22 ILE 43 2HG2 ILE 43 27.762 10.085 -1.127 297 HG23 ILE 43 3HG2 ILE 43 26.564 9.401 -0.028 298 HD11 ILE 43 1HD1 ILE 43 29.122 9.956 0.699 299 HD12 ILE 43 2HD1 ILE 43 29.566 11.038 2.019 300 HD13 ILE 43 3HD1 ILE 43 28.006 10.217 2.039 301 H VAL 44 H VAL 44 25.598 12.738 -3.262 302 HA VAL 44 HA VAL 44 22.765 12.541 -2.893 303 HB VAL 44 HB VAL 44 24.410 12.295 -5.416 304 HG11 VAL 44 1HG1 VAL 44 21.757 11.589 -5.018 305 HG12 VAL 44 2HG1 VAL 44 21.680 13.202 -5.729 306 HG13 VAL 44 3HG1 VAL 44 22.542 11.909 -6.564 307 HG21 VAL 44 1HG2 VAL 44 23.059 14.677 -5.517 308 HG22 VAL 44 2HG2 VAL 44 23.511 14.567 -3.816 309 HG23 VAL 44 3HG2 VAL 44 24.753 14.480 -5.065 310 H VAL 45 H VAL 45 21.686 10.738 -2.488 311 HA VAL 45 HA VAL 45 22.846 8.168 -3.337 312 HB VAL 45 HB VAL 45 20.836 8.733 -1.153 313 HG11 VAL 45 1HG1 VAL 45 20.963 6.448 -2.592 314 HG12 VAL 45 2HG1 VAL 45 22.133 6.097 -1.318 315 HG13 VAL 45 3HG1 VAL 45 20.473 6.525 -0.900 316 HG21 VAL 45 1HG2 VAL 45 23.745 7.946 -1.072 317 HG22 VAL 45 2HG2 VAL 45 23.027 9.448 -0.488 318 HG23 VAL 45 3HG2 VAL 45 22.672 7.925 0.328 319 H SER 46 H SER 46 22.013 7.734 -5.304 320 HA SER 46 HA SER 46 19.103 7.987 -5.660 321 HB2 SER 46 1HB SER 46 19.430 8.378 -7.924 322 HB3 SER 46 2HB SER 46 20.863 9.140 -7.235 323 HG SER 46 HG SER 46 21.140 7.619 -9.082 324 H TRP 47 H TRP 47 17.905 6.210 -5.856 325 HA TRP 47 HA TRP 47 19.246 3.677 -6.528 326 HB2 TRP 47 1HB TRP 47 17.815 2.519 -4.898 327 HB3 TRP 47 2HB TRP 47 18.827 3.730 -4.117 328 HD1 TRP 47 HD TRP 47 15.169 3.069 -5.082 329 HE1 TRP 47 1HE TRP 47 13.664 4.597 -3.660 330 HE3 TRP 47 3HE TRP 47 18.783 5.885 -2.814 331 HZ2 TRP 47 2HZ TRP 47 13.968 6.716 -1.820 332 HZ3 TRP 47 3HZ TRP 47 18.092 7.642 -1.237 333 HH2 TRP 47 HH TRP 47 15.734 8.048 -0.751 334 H THR 48 H THR 48 17.315 1.948 -6.812 335 HA THR 48 HA THR 48 15.169 3.157 -8.399 336 HB THR 48 HB THR 48 15.580 1.199 -10.070 337 HG1 THR 48 1HG THR 48 18.137 1.506 -8.848 338 HG21 THR 48 1HG2 THR 48 15.752 3.354 -10.939 339 HG22 THR 48 2HG2 THR 48 17.351 2.677 -11.249 340 HG23 THR 48 3HG2 THR 48 17.106 3.773 -9.890 341 HA PRO 49 HA PRO 49 12.613 0.127 -6.507 342 HB2 PRO 49 1HB PRO 49 10.727 -0.225 -8.427 343 HB3 PRO 49 2HB PRO 49 10.827 1.234 -7.435 344 HG2 PRO 49 1HG PRO 49 11.816 0.767 -10.221 345 HG3 PRO 49 2HG PRO 49 10.970 2.176 -9.556 346 HD2 PRO 49 1HD PRO 49 13.651 2.130 -9.929 347 HD3 PRO 49 2HD PRO 49 12.886 3.038 -8.609 348 HA PRO 50 HA PRO 50 13.767 -3.902 -7.854 349 HB2 PRO 50 1HB PRO 50 11.716 -5.372 -6.854 350 HB3 PRO 50 2HB PRO 50 12.976 -4.664 -5.837 351 HG2 PRO 50 1HG PRO 50 10.210 -3.666 -6.396 352 HG3 PRO 50 2HG PRO 50 11.088 -3.725 -4.856 353 HD2 PRO 50 1HD PRO 50 10.860 -1.456 -6.317 354 HD3 PRO 50 2HD PRO 50 12.287 -1.812 -5.323 355 H GLU 51 H GLU 51 13.654 -4.772 -9.820 356 HA GLU 51 HA GLU 51 11.841 -4.184 -11.783 357 HB2 GLU 51 1HB GLU 51 13.736 -6.434 -11.342 358 HB3 GLU 51 2HB GLU 51 12.542 -6.623 -12.618 359 HG2 GLU 51 1HG GLU 51 13.327 -4.624 -13.710 360 HG3 GLU 51 2HG GLU 51 14.450 -4.308 -12.389 361 H ASN 52 H ASN 52 11.482 -6.417 -9.164 362 HA ASN 52 HA ASN 52 9.194 -7.750 -10.344 363 HB2 ASN 52 1HB ASN 52 10.968 -8.770 -8.727 364 HB3 ASN 52 2HB ASN 52 10.001 -8.014 -7.464 365 HD21 ASN 52 1HD2 ASN 52 10.544 -10.854 -8.686 366 HD22 ASN 52 2HD2 ASN 52 8.971 -11.568 -8.650 367 H GLN 53 H GLN 53 7.602 -6.220 -10.595 368 HA GLN 53 HA GLN 53 6.863 -4.437 -8.468 369 HB2 GLN 53 1HB GLN 53 5.678 -5.061 -11.165 370 HB3 GLN 53 2HB GLN 53 4.885 -3.975 -10.031 371 HG2 GLN 53 1HG GLN 53 7.725 -3.558 -10.892 372 HG3 GLN 53 2HG GLN 53 6.364 -2.947 -11.832 373 HE21 GLN 53 1HE2 GLN 53 8.392 -2.458 -9.151 374 HE22 GLN 53 2HE2 GLN 53 7.632 -1.035 -8.534 375 H ASN 54 H ASN 54 6.106 -7.649 -9.321 376 HA ASN 54 HA ASN 54 3.476 -7.940 -8.491 377 HB2 ASN 54 1HB ASN 54 5.658 -9.967 -7.983 378 HB3 ASN 54 2HB ASN 54 3.942 -10.277 -8.229 379 HD21 ASN 54 1HD2 ASN 54 3.162 -10.480 -10.252 380 HD22 ASN 54 2HD2 ASN 54 4.128 -10.377 -11.681 381 H ILE 55 H ILE 55 6.379 -7.525 -6.615 382 HA ILE 55 HA ILE 55 5.047 -8.204 -4.120 383 HB ILE 55 HB ILE 55 7.805 -7.027 -4.398 384 HG12 ILE 55 1HG1 ILE 55 7.200 -9.979 -4.316 385 HG13 ILE 55 2HG1 ILE 55 7.391 -9.111 -5.835 386 HG21 ILE 55 1HG2 ILE 55 6.246 -8.376 -2.261 387 HG22 ILE 55 2HG2 ILE 55 7.984 -8.660 -2.324 388 HG23 ILE 55 3HG2 ILE 55 7.365 -7.017 -2.161 389 HD11 ILE 55 1HD1 ILE 55 9.418 -9.745 -3.747 390 HD12 ILE 55 2HD1 ILE 55 9.496 -9.954 -5.497 391 HD13 ILE 55 3HD1 ILE 55 9.645 -8.344 -4.793 392 H VAL 56 H VAL 56 4.370 -6.781 -2.597 393 HA VAL 56 HA VAL 56 4.017 -4.035 -3.413 394 HB VAL 56 HB VAL 56 3.204 -5.439 -0.864 395 HG11 VAL 56 1HG1 VAL 56 2.898 -3.376 -0.069 396 HG12 VAL 56 2HG1 VAL 56 3.153 -2.640 -1.652 397 HG13 VAL 56 3HG1 VAL 56 1.560 -3.254 -1.210 398 HG21 VAL 56 1HG2 VAL 56 0.897 -5.075 -2.011 399 HG22 VAL 56 2HG2 VAL 56 1.853 -4.967 -3.489 400 HG23 VAL 56 3HG2 VAL 56 1.912 -6.429 -2.506 401 H VAL 57 H VAL 57 5.107 -2.291 -2.720 402 HA VAL 57 HA VAL 57 7.132 -2.691 -0.613 403 HB VAL 57 HB VAL 57 7.306 -0.930 -3.061 404 HG11 VAL 57 1HG1 VAL 57 8.601 0.366 -1.774 405 HG12 VAL 57 2HG1 VAL 57 8.716 -0.853 -0.503 406 HG13 VAL 57 3HG1 VAL 57 9.786 -0.933 -1.902 407 HG21 VAL 57 1HG2 VAL 57 7.790 -3.576 -2.936 408 HG22 VAL 57 2HG2 VAL 57 8.660 -2.473 -4.004 409 HG23 VAL 57 3HG2 VAL 57 9.369 -2.950 -2.461 410 H ARG 58 H ARG 58 7.062 -1.359 1.087 411 HA ARG 58 HA ARG 58 5.113 0.831 1.030 412 HB2 ARG 58 1HB ARG 58 6.340 -0.787 3.247 413 HB3 ARG 58 2HB ARG 58 5.547 0.747 3.578 414 HG2 ARG 58 1HG ARG 58 4.122 -1.368 2.025 415 HG3 ARG 58 2HG ARG 58 4.212 -1.459 3.785 416 HD2 ARG 58 1HD ARG 58 2.260 -0.285 3.522 417 HD3 ARG 58 2HD ARG 58 3.420 1.038 3.637 418 HE ARG 58 HE ARG 58 2.925 1.597 1.479 419 HH11 ARG 58 2HH1 ARG 58 1.862 -1.665 2.067 420 HH12 ARG 58 1HH1 ARG 58 1.065 -1.820 0.536 421 HH21 ARG 58 2HH2 ARG 58 1.881 1.405 -0.539 422 HH22 ARG 58 1HH2 ARG 58 1.078 -0.073 -0.946 423 H GLY 59 H GLY 59 8.505 0.141 1.421 424 HA2 GLY 59 1HA GLY 59 9.371 2.710 0.814 425 HA3 GLY 59 2HA GLY 59 9.276 2.620 2.567 426 H TYR 60 H TYR 60 11.683 3.139 1.747 427 HA TYR 60 HA TYR 60 13.111 0.563 1.855 428 HB2 TYR 60 1HB TYR 60 14.209 3.043 0.536 429 HB3 TYR 60 2HB TYR 60 14.811 1.393 0.419 430 HD1 TYR 60 2HD TYR 60 12.125 3.688 -0.643 431 HD2 TYR 60 1HD TYR 60 13.899 -0.144 -1.164 432 HE1 TYR 60 2HE TYR 60 10.793 3.355 -2.683 433 HE2 TYR 60 1HE TYR 60 12.572 -0.487 -3.207 434 HH TYR 60 HH TYR 60 11.388 1.453 -4.978 435 H ALA 61 H ALA 61 15.335 0.762 2.769 436 HA ALA 61 HA ALA 61 15.424 2.819 4.880 437 HB1 ALA 61 1HB ALA 61 14.900 0.449 5.630 438 HB2 ALA 61 2HB ALA 61 16.561 0.054 5.186 439 HB3 ALA 61 3HB ALA 61 16.245 1.257 6.437 440 H ILE 62 H ILE 62 17.047 4.181 4.562 441 HA ILE 62 HA ILE 62 19.407 3.284 3.075 442 HB ILE 62 HB ILE 62 18.719 6.110 3.874 443 HG12 ILE 62 1HG1 ILE 62 18.305 5.047 1.106 444 HG13 ILE 62 2HG1 ILE 62 17.067 4.765 2.325 445 HG21 ILE 62 1HG2 ILE 62 20.636 4.950 1.859 446 HG22 ILE 62 2HG2 ILE 62 20.249 6.664 1.996 447 HG23 ILE 62 3HG2 ILE 62 21.040 5.830 3.333 448 HD11 ILE 62 1HD1 ILE 62 16.374 6.892 2.286 449 HD12 ILE 62 2HD1 ILE 62 18.011 7.533 2.142 450 HD13 ILE 62 3HD1 ILE 62 17.173 6.927 0.714 451 H GLY 63 H GLY 63 21.478 3.430 3.882 452 HA2 GLY 63 1HA GLY 63 21.772 4.321 6.673 453 HA3 GLY 63 2HA GLY 63 22.329 2.720 6.209 454 H TYR 64 H TYR 64 23.772 5.115 7.245 455 HA TYR 64 HA TYR 64 25.938 5.036 5.303 456 HB2 TYR 64 1HB TYR 64 26.216 7.493 5.339 457 HB3 TYR 64 2HB TYR 64 24.691 7.006 4.608 458 HD1 TYR 64 1HD TYR 64 22.648 6.920 6.290 459 HD2 TYR 64 2HD TYR 64 26.191 9.197 6.898 460 HE1 TYR 64 1HE TYR 64 21.431 8.389 7.842 461 HE2 TYR 64 2HE TYR 64 24.984 10.671 8.453 462 HH TYR 64 HH TYR 64 22.397 11.325 8.734 463 H GLY 65 H GLY 65 27.975 5.832 6.176 464 HA2 GLY 65 1HA GLY 65 28.639 6.827 8.570 465 HA3 GLY 65 2HA GLY 65 28.193 5.182 9.000 466 H ILE 66 H ILE 66 30.795 6.595 9.125 467 HA ILE 66 HA ILE 66 32.492 5.552 7.098 468 HB ILE 66 HB ILE 66 33.264 6.446 9.877 469 HG12 ILE 66 1HG1 ILE 66 33.507 8.170 7.443 470 HG13 ILE 66 2HG1 ILE 66 31.946 8.044 8.247 471 HG21 ILE 66 1HG2 ILE 66 35.410 6.219 9.285 472 HG22 ILE 66 2HG2 ILE 66 34.798 5.167 8.010 473 HG23 ILE 66 3HG2 ILE 66 35.129 6.865 7.668 474 HD11 ILE 66 1HD1 ILE 66 34.016 9.770 8.878 475 HD12 ILE 66 2HD1 ILE 66 32.579 9.439 9.846 476 HD13 ILE 66 3HD1 ILE 66 34.066 8.538 10.139 477 H GLY 67 H GLY 67 32.776 3.437 6.805 478 HA2 GLY 67 1HA GLY 67 33.882 1.429 7.447 479 HA3 GLY 67 2HA GLY 67 33.548 1.817 9.128 480 H SER 68 H SER 68 30.857 2.288 9.111 481 HA SER 68 HA SER 68 29.554 0.013 7.847 482 HB2 SER 68 1HB SER 68 29.859 0.334 10.829 483 HB3 SER 68 2HB SER 68 28.532 -0.593 10.128 484 HG SER 68 HG SER 68 30.400 -1.652 8.918 485 HA PRO 69 HA PRO 69 26.301 2.967 7.530 486 HB2 PRO 69 1HB PRO 69 24.268 1.266 6.942 487 HB3 PRO 69 2HB PRO 69 25.529 1.694 5.779 488 HG2 PRO 69 1HG PRO 69 25.283 -0.748 7.493 489 HG3 PRO 69 2HG PRO 69 25.755 -0.620 5.788 490 HD2 PRO 69 1HD PRO 69 27.562 -0.924 7.781 491 HD3 PRO 69 2HD PRO 69 27.917 -0.008 6.302 492 H HIS 70 H HIS 70 26.165 0.267 9.727 493 HA HIS 70 HA HIS 70 23.792 0.540 11.032 494 HB2 HIS 70 1HB HIS 70 24.732 -0.613 12.800 495 HB3 HIS 70 2HB HIS 70 25.882 -0.978 11.517 496 HD1 HIS 70 1HD HIS 70 25.493 1.480 14.389 497 HD2 HIS 70 2HD HIS 70 28.453 -0.378 12.142 498 HE1 HIS 70 1HE HIS 70 27.667 2.140 15.466 499 HE2 HIS 70 2HE HIS 70 29.448 1.074 14.038 500 H ALA 71 H ALA 71 26.426 2.783 11.004 501 HA ALA 71 HA ALA 71 26.218 4.256 13.261 502 HB1 ALA 71 1HB ALA 71 26.838 4.904 10.459 503 HB2 ALA 71 2HB ALA 71 26.395 6.276 11.476 504 HB3 ALA 71 3HB ALA 71 27.746 5.239 11.933 505 H GLN 72 H GLN 72 24.397 5.278 10.373 506 HA GLN 72 HA GLN 72 22.098 5.865 12.104 507 HB2 GLN 72 1HB GLN 72 23.490 7.731 10.206 508 HB3 GLN 72 2HB GLN 72 21.789 7.946 10.595 509 HG2 GLN 72 1HG GLN 72 22.251 8.363 12.861 510 HG3 GLN 72 2HG GLN 72 23.903 7.765 12.715 511 HE21 GLN 72 1HE2 GLN 72 25.390 9.023 11.420 512 HE22 GLN 72 2HE2 GLN 72 25.191 10.736 11.325 513 H THR 73 H THR 73 20.070 5.769 11.102 514 HA THR 73 HA THR 73 20.052 4.685 8.364 515 HB THR 73 HB THR 73 18.326 3.707 10.648 516 HG1 THR 73 1HG THR 73 19.617 1.702 9.956 517 HG21 THR 73 1HG2 THR 73 18.464 2.101 8.217 518 HG22 THR 73 2HG2 THR 73 17.757 3.695 7.951 519 HG23 THR 73 3HG2 THR 73 17.062 2.612 9.157 520 H ILE 74 H ILE 74 18.782 5.785 7.027 521 HA ILE 74 HA ILE 74 16.693 7.510 8.185 522 HB ILE 74 HB ILE 74 18.178 7.832 5.574 523 HG12 ILE 74 1HG1 ILE 74 18.241 9.714 7.919 524 HG13 ILE 74 2HG1 ILE 74 19.340 8.342 7.832 525 HG21 ILE 74 1HG2 ILE 74 15.740 9.068 6.655 526 HG22 ILE 74 2HG2 ILE 74 16.929 10.192 5.999 527 HG23 ILE 74 3HG2 ILE 74 16.286 8.899 4.987 528 HD11 ILE 74 1HD1 ILE 74 20.601 9.289 6.231 529 HD12 ILE 74 2HD1 ILE 74 19.221 10.052 5.440 530 HD13 ILE 74 3HD1 ILE 74 19.920 10.777 6.887 531 H LYS 75 H LYS 75 14.756 6.600 7.988 532 HA LYS 75 HA LYS 75 14.165 4.946 5.646 533 HB2 LYS 75 1HB LYS 75 12.930 5.235 8.364 534 HB3 LYS 75 2HB LYS 75 12.000 4.536 7.045 535 HG2 LYS 75 1HG LYS 75 13.656 2.793 6.760 536 HG3 LYS 75 2HG LYS 75 14.662 3.516 8.017 537 HD2 LYS 75 1HD LYS 75 12.437 3.255 9.431 538 HD3 LYS 75 2HD LYS 75 12.126 1.979 8.252 539 HE2 LYS 75 1HE LYS 75 14.082 0.805 8.865 540 HE3 LYS 75 2HE LYS 75 14.714 2.180 9.770 541 HZ1 LYS 75 1HZ LYS 75 13.856 1.144 11.532 542 HZ2 LYS 75 2HZ LYS 75 12.876 0.129 10.599 543 HZ3 LYS 75 3HZ LYS 75 12.350 1.690 10.985 544 H VAL 76 H VAL 76 13.020 5.722 4.006 545 HA VAL 76 HA VAL 76 11.274 8.049 4.485 546 HB VAL 76 HB VAL 76 11.763 8.779 2.168 547 HG11 VAL 76 1HG1 VAL 76 13.073 9.442 4.330 548 HG12 VAL 76 2HG1 VAL 76 14.400 8.578 3.551 549 HG13 VAL 76 3HG1 VAL 76 13.652 9.959 2.747 550 HG21 VAL 76 1HG2 VAL 76 14.048 7.737 1.338 551 HG22 VAL 76 2HG2 VAL 76 13.460 6.339 2.237 552 HG23 VAL 76 3HG2 VAL 76 12.496 7.010 0.922 553 H ASP 77 H ASP 77 9.901 8.284 2.251 554 HA ASP 77 HA ASP 77 8.115 6.062 2.309 555 HB2 ASP 77 1HB ASP 77 8.158 8.381 0.367 556 HB3 ASP 77 2HB ASP 77 6.797 7.312 0.698 557 H TYR 78 H TYR 78 7.250 5.446 -0.084 558 HA TYR 78 HA TYR 78 9.524 4.081 -1.302 559 HB2 TYR 78 1HB TYR 78 7.846 2.697 -2.423 560 HB3 TYR 78 2HB TYR 78 7.554 2.744 -0.688 561 HD1 TYR 78 2HD TYR 78 5.655 4.037 0.214 562 HD2 TYR 78 1HD TYR 78 6.264 3.607 -3.975 563 HE1 TYR 78 2HE TYR 78 3.339 4.762 -0.191 564 HE2 TYR 78 1HE TYR 78 3.951 4.332 -4.392 565 HH TYR 78 HH TYR 78 1.894 4.608 -3.365 566 H LYS 79 H LYS 79 7.910 6.920 -1.738 567 HA LYS 79 HA LYS 79 8.139 6.881 -4.662 568 HB2 LYS 79 1HB LYS 79 6.734 8.740 -2.749 569 HB3 LYS 79 2HB LYS 79 6.958 9.134 -4.449 570 HG2 LYS 79 1HG LYS 79 5.598 7.338 -5.146 571 HG3 LYS 79 2HG LYS 79 5.609 6.609 -3.539 572 HD2 LYS 79 1HD LYS 79 4.348 9.256 -4.258 573 HD3 LYS 79 2HD LYS 79 3.481 7.737 -4.025 574 HE2 LYS 79 1HE LYS 79 4.538 7.694 -1.701 575 HE3 LYS 79 2HE LYS 79 4.961 9.380 -1.991 576 HZ1 LYS 79 1HZ LYS 79 2.950 9.642 -0.999 577 HZ2 LYS 79 2HZ LYS 79 2.334 8.171 -1.560 578 HZ3 LYS 79 3HZ LYS 79 2.421 9.503 -2.600 579 H GLN 80 H GLN 80 10.476 6.956 -2.957 580 HA GLN 80 HA GLN 80 11.496 9.650 -3.571 581 HB2 GLN 80 1HB GLN 80 12.220 7.695 -1.401 582 HB3 GLN 80 2HB GLN 80 13.298 9.008 -1.855 583 HG2 GLN 80 1HG GLN 80 10.616 9.130 -0.553 584 HG3 GLN 80 2HG GLN 80 12.134 9.882 -0.066 585 HE21 GLN 80 1HE2 GLN 80 9.196 10.613 -1.086 586 HE22 GLN 80 2HE2 GLN 80 9.506 12.045 -2.000 587 H ARG 81 H ARG 81 12.578 9.606 -5.431 588 HA ARG 81 HA ARG 81 13.791 7.268 -6.498 589 HB2 ARG 81 1HB ARG 81 13.199 8.686 -8.196 590 HB3 ARG 81 2HB ARG 81 13.599 10.129 -7.275 591 HG2 ARG 81 1HG ARG 81 15.124 9.948 -9.100 592 HG3 ARG 81 2HG ARG 81 16.003 9.607 -7.608 593 HD2 ARG 81 1HD ARG 81 16.247 7.379 -8.100 594 HD3 ARG 81 2HD ARG 81 14.799 7.333 -9.104 595 HE ARG 81 HE ARG 81 16.982 8.904 -10.165 596 HH11 ARG 81 2HH1 ARG 81 15.421 5.795 -10.046 597 HH12 ARG 81 1HH1 ARG 81 16.102 5.250 -11.543 598 HH21 ARG 81 2HH2 ARG 81 17.885 8.198 -12.137 599 HH22 ARG 81 1HH2 ARG 81 17.504 6.617 -12.731 600 H TYR 82 H TYR 82 15.045 10.150 -4.873 601 HA TYR 82 HA TYR 82 17.433 8.679 -4.128 602 HB2 TYR 82 1HB TYR 82 19.013 10.129 -5.097 603 HB3 TYR 82 2HB TYR 82 17.839 9.849 -6.378 604 HD1 TYR 82 2HD TYR 82 16.300 11.624 -7.066 605 HD2 TYR 82 1HD TYR 82 19.246 12.303 -4.071 606 HE1 TYR 82 2HE TYR 82 15.976 14.050 -7.305 607 HE2 TYR 82 1HE TYR 82 18.929 14.731 -4.301 608 HH TYR 82 HH TYR 82 17.047 16.103 -6.862 609 H TYR 83 H TYR 83 18.808 9.978 -2.611 610 HA TYR 83 HA TYR 83 17.277 12.024 -1.167 611 HB2 TYR 83 1HB TYR 83 17.001 9.747 -0.104 612 HB3 TYR 83 2HB TYR 83 18.728 9.777 0.236 613 HD1 TYR 83 2HD TYR 83 19.638 11.268 1.927 614 HD2 TYR 83 1HD TYR 83 15.465 11.193 1.102 615 HE1 TYR 83 2HE TYR 83 19.210 12.497 4.013 616 HE2 TYR 83 1HE TYR 83 15.025 12.423 3.186 617 HH TYR 83 HH TYR 83 17.261 14.088 4.844 618 H THR 84 H THR 84 18.468 13.675 -0.365 619 HA THR 84 HA THR 84 21.338 13.634 -0.965 620 HB THR 84 HB THR 84 19.539 15.986 -0.349 621 HG1 THR 84 1HG THR 84 20.685 15.123 -2.816 622 HG21 THR 84 1HG2 THR 84 21.331 17.367 -0.484 623 HG22 THR 84 2HG2 THR 84 22.158 16.353 -1.668 624 HG23 THR 84 3HG2 THR 84 22.202 15.928 0.043 625 H ILE 85 H ILE 85 22.635 13.139 0.670 626 HA ILE 85 HA ILE 85 21.786 13.678 3.414 627 HB ILE 85 HB ILE 85 24.246 12.186 2.508 628 HG12 ILE 85 1HG1 ILE 85 21.619 10.977 3.374 629 HG13 ILE 85 2HG1 ILE 85 22.050 11.217 1.685 630 HG21 ILE 85 1HG2 ILE 85 24.202 13.069 4.836 631 HG22 ILE 85 2HG2 ILE 85 22.771 12.083 5.132 632 HG23 ILE 85 3HG2 ILE 85 24.307 11.312 4.737 633 HD11 ILE 85 1HD1 ILE 85 23.864 9.695 1.854 634 HD12 ILE 85 2HD1 ILE 85 23.699 9.601 3.607 635 HD13 ILE 85 3HD1 ILE 85 22.449 8.920 2.566 636 H GLU 86 H GLU 86 22.351 15.552 4.285 637 HA GLU 86 HA GLU 86 24.912 16.767 3.482 638 HB2 GLU 86 1HB GLU 86 22.457 18.121 4.615 639 HB3 GLU 86 2HB GLU 86 23.947 18.924 4.138 640 HG2 GLU 86 1HG GLU 86 23.585 18.229 1.826 641 HG3 GLU 86 2HG GLU 86 22.091 17.425 2.303 642 H ASN 87 H ASN 87 25.857 18.211 5.235 643 HA ASN 87 HA ASN 87 26.662 18.539 7.349 644 HB2 ASN 87 1HB ASN 87 24.641 16.601 8.449 645 HB3 ASN 87 2HB ASN 87 25.375 17.994 9.238 646 HD21 ASN 87 1HD2 ASN 87 22.628 16.862 7.850 647 HD22 ASN 87 2HD2 ASN 87 21.866 18.360 7.451 648 H LEU 88 H LEU 88 27.955 16.799 5.743 649 HA LEU 88 HA LEU 88 28.705 14.597 7.553 650 HB2 LEU 88 1HB LEU 88 28.934 14.664 4.548 651 HB3 LEU 88 2HB LEU 88 29.383 13.322 5.598 652 HG LEU 88 HG LEU 88 26.569 14.360 5.283 653 HD11 LEU 88 1HD1 LEU 88 27.805 13.241 3.256 654 HD12 LEU 88 2HD1 LEU 88 26.148 12.798 3.664 655 HD13 LEU 88 3HD1 LEU 88 27.486 11.760 4.159 656 HD21 LEU 88 1HD2 LEU 88 27.698 11.878 6.572 657 HD22 LEU 88 2HD2 LEU 88 25.982 12.212 6.340 658 HD23 LEU 88 3HD2 LEU 88 26.947 13.244 7.396 659 H ASP 89 H ASP 89 31.003 13.855 7.214 660 HA ASP 89 HA ASP 89 32.729 16.197 7.248 661 HB2 ASP 89 1HB ASP 89 32.842 14.437 9.034 662 HB3 ASP 89 2HB ASP 89 33.456 13.319 7.819 663 HA PRO 90 HA PRO 90 33.947 15.451 3.033 664 HB2 PRO 90 1HB PRO 90 35.792 17.440 2.917 665 HB3 PRO 90 2HB PRO 90 34.052 17.737 2.824 666 HG2 PRO 90 1HG PRO 90 35.894 17.998 5.169 667 HG3 PRO 90 2HG PRO 90 34.596 19.083 4.640 668 HD2 PRO 90 1HD PRO 90 34.282 17.316 6.667 669 HD3 PRO 90 2HD PRO 90 32.949 17.781 5.591 670 H SER 91 H SER 91 35.693 14.535 1.958 671 HA SER 91 HA SER 91 37.633 13.376 1.674 672 HB2 SER 91 1HB SER 91 38.505 15.581 2.840 673 HB3 SER 91 2HB SER 91 38.814 14.488 4.188 674 HG SER 91 HG SER 91 40.560 14.781 2.592 675 H SER 92 H SER 92 35.614 12.002 2.807 676 HA SER 92 HA SER 92 37.039 10.063 4.421 677 HB2 SER 92 1HB SER 92 34.707 11.652 5.459 678 HB3 SER 92 2HB SER 92 35.004 10.012 6.036 679 HG SER 92 HG SER 92 37.137 10.732 6.602 680 H HIS 93 H HIS 93 36.314 8.010 4.114 681 HA HIS 93 HA HIS 93 34.440 7.589 1.973 682 HB2 HIS 93 1HB HIS 93 36.204 6.082 1.863 683 HB3 HIS 93 2HB HIS 93 36.234 5.833 3.606 684 HD1 HIS 93 1HD HIS 93 35.605 3.504 4.101 685 HD2 HIS 93 2HD HIS 93 33.400 5.048 0.936 686 HE1 HIS 93 1HE HIS 93 34.018 1.672 3.430 687 HE2 HIS 93 2HE HIS 93 32.753 2.599 1.459 688 H TYR 94 H TYR 94 32.374 6.918 2.092 689 HA TYR 94 HA TYR 94 31.314 6.153 4.729 690 HB2 TYR 94 1HB TYR 94 30.297 8.239 2.829 691 HB3 TYR 94 2HB TYR 94 29.170 7.384 3.876 692 HD1 TYR 94 2HD TYR 94 32.411 9.233 4.078 693 HD2 TYR 94 1HD TYR 94 28.713 8.283 5.954 694 HE1 TYR 94 2HE TYR 94 32.951 10.780 5.912 695 HE2 TYR 94 1HE TYR 94 29.241 9.828 7.793 696 HH TYR 94 HH TYR 94 31.406 10.789 8.825 697 H VAL 95 H VAL 95 30.127 4.353 4.729 698 HA VAL 95 HA VAL 95 29.633 3.008 2.201 699 HB VAL 95 HB VAL 95 29.166 2.057 5.031 700 HG11 VAL 95 1HG1 VAL 95 29.274 -0.207 3.713 701 HG12 VAL 95 2HG1 VAL 95 27.764 0.701 3.815 702 HG13 VAL 95 3HG1 VAL 95 28.756 0.798 2.360 703 HG21 VAL 95 1HG2 VAL 95 31.547 2.283 3.441 704 HG22 VAL 95 2HG2 VAL 95 31.366 1.744 5.110 705 HG23 VAL 95 3HG2 VAL 95 31.205 0.588 3.789 706 H ILE 96 H ILE 96 27.805 3.367 1.143 707 HA ILE 96 HA ILE 96 25.400 4.119 2.645 708 HB ILE 96 HB ILE 96 26.169 4.451 -0.244 709 HG12 ILE 96 1HG1 ILE 96 25.390 6.849 0.426 710 HG13 ILE 96 2HG1 ILE 96 25.583 6.266 2.075 711 HG21 ILE 96 1HG2 ILE 96 24.008 3.980 -0.697 712 HG22 ILE 96 2HG2 ILE 96 23.480 4.292 0.956 713 HG23 ILE 96 3HG2 ILE 96 23.761 5.638 -0.149 714 HD11 ILE 96 1HD1 ILE 96 27.613 7.262 1.640 715 HD12 ILE 96 2HD1 ILE 96 27.942 5.565 1.289 716 HD13 ILE 96 3HD1 ILE 96 27.650 6.698 -0.031 717 H THR 97 H THR 97 23.701 2.800 2.811 718 HA THR 97 HA THR 97 23.555 0.462 1.025 719 HB THR 97 HB THR 97 22.878 -0.968 2.834 720 HG1 THR 97 1HG THR 97 23.290 1.139 4.684 721 HG21 THR 97 1HG2 THR 97 24.929 -1.278 3.825 722 HG22 THR 97 2HG2 THR 97 25.183 0.447 4.090 723 HG23 THR 97 3HG2 THR 97 25.385 -0.237 2.477 724 H LEU 98 H LEU 98 21.432 -0.410 0.709 725 HA LEU 98 HA LEU 98 19.165 1.138 1.656 726 HB2 LEU 98 1HB LEU 98 19.607 2.435 -0.239 727 HB3 LEU 98 2HB LEU 98 20.035 1.028 -1.210 728 HG LEU 98 HG LEU 98 17.492 0.425 -0.834 729 HD11 LEU 98 1HD1 LEU 98 16.820 2.159 0.602 730 HD12 LEU 98 2HD1 LEU 98 16.184 2.595 -0.984 731 HD13 LEU 98 3HD1 LEU 98 17.633 3.389 -0.367 732 HD21 LEU 98 1HD2 LEU 98 17.208 2.245 -2.858 733 HD22 LEU 98 2HD2 LEU 98 17.842 0.609 -3.035 734 HD23 LEU 98 3HD2 LEU 98 18.950 1.968 -2.840 735 H LYS 99 H LYS 99 17.269 -0.008 1.686 736 HA LYS 99 HA LYS 99 17.092 -2.558 0.303 737 HB2 LYS 99 1HB LYS 99 16.328 -3.586 2.575 738 HB3 LYS 99 2HB LYS 99 18.044 -3.480 2.203 739 HG2 LYS 99 1HG LYS 99 18.359 -1.665 3.656 740 HG3 LYS 99 2HG LYS 99 16.626 -1.358 3.780 741 HD2 LYS 99 1HD LYS 99 16.301 -3.025 5.297 742 HD3 LYS 99 2HD LYS 99 17.593 -4.028 4.633 743 HE2 LYS 99 1HE LYS 99 19.207 -3.022 5.891 744 HE3 LYS 99 2HE LYS 99 18.365 -1.473 5.931 745 HZ1 LYS 99 1HZ LYS 99 17.472 -3.873 7.430 746 HZ2 LYS 99 2HZ LYS 99 16.872 -2.298 7.571 747 HZ3 LYS 99 3HZ LYS 99 18.440 -2.655 8.095 748 H ALA 100 H ALA 100 14.977 -3.331 0.087 749 HA ALA 100 HA ALA 100 12.924 -1.305 0.582 750 HB1 ALA 100 1HB ALA 100 13.116 -3.637 -1.291 751 HB2 ALA 100 2HB ALA 100 11.570 -2.858 -0.954 752 HB3 ALA 100 3HB ALA 100 12.890 -1.928 -1.663 753 H PHE 101 H PHE 101 11.164 -1.636 1.847 754 HA PHE 101 HA PHE 101 10.841 -4.282 3.088 755 HB2 PHE 101 1HB PHE 101 10.440 -3.258 5.255 756 HB3 PHE 101 2HB PHE 101 12.019 -2.764 4.653 757 HD1 PHE 101 2HD PHE 101 12.404 -0.478 3.900 758 HD2 PHE 101 1HD PHE 101 8.655 -1.681 5.518 759 HE1 PHE 101 2HE PHE 101 11.782 1.882 4.205 760 HE2 PHE 101 1HE PHE 101 8.027 0.678 5.824 761 HZ PHE 101 HZ PHE 101 9.592 2.464 5.169 762 H ASN 102 H ASN 102 8.682 -4.490 4.194 763 HA ASN 102 HA ASN 102 6.581 -2.772 3.166 764 HB2 ASN 102 1HB ASN 102 5.322 -4.648 2.168 765 HB3 ASN 102 2HB ASN 102 6.852 -4.369 1.342 766 HD21 ASN 102 1HD2 ASN 102 5.508 -6.740 1.082 767 HD22 ASN 102 2HD2 ASN 102 6.398 -7.998 1.864 768 H ASN 103 H ASN 103 4.356 -3.938 3.841 769 HA ASN 103 HA ASN 103 4.221 -3.828 6.611 770 HB2 ASN 103 1HB ASN 103 2.218 -3.506 5.365 771 HB3 ASN 103 2HB ASN 103 2.368 -5.076 4.582 772 HD21 ASN 103 1HD2 ASN 103 0.390 -5.821 5.232 773 HD22 ASN 103 2HD2 ASN 103 0.016 -6.201 6.875 774 H VAL 104 H VAL 104 5.394 -6.324 4.650 775 HA VAL 104 HA VAL 104 4.865 -8.435 6.585 776 HB VAL 104 HB VAL 104 6.356 -8.507 3.958 777 HG11 VAL 104 1HG1 VAL 104 7.287 -10.297 5.038 778 HG12 VAL 104 2HG1 VAL 104 5.872 -10.559 6.060 779 HG13 VAL 104 3HG1 VAL 104 5.844 -11.057 4.368 780 HG21 VAL 104 1HG2 VAL 104 3.534 -8.973 4.751 781 HG22 VAL 104 2HG2 VAL 104 4.195 -8.291 3.264 782 HG23 VAL 104 3HG2 VAL 104 4.227 -10.035 3.525 783 H GLY 105 H GLY 105 7.694 -6.851 5.105 784 HA2 GLY 105 1HA GLY 105 9.185 -6.610 7.428 785 HA3 GLY 105 2HA GLY 105 9.593 -8.180 6.751 786 H GLU 106 H GLU 106 11.763 -7.296 6.572 787 HA GLU 106 HA GLU 106 12.069 -5.463 4.288 788 HB2 GLU 106 1HB GLU 106 14.278 -6.083 6.220 789 HB3 GLU 106 2HB GLU 106 14.060 -4.663 5.206 790 HG2 GLU 106 1HG GLU 106 13.641 -3.948 7.396 791 HG3 GLU 106 2HG GLU 106 12.057 -4.106 6.641 792 H GLY 107 H GLY 107 14.371 -5.843 3.240 793 HA2 GLY 107 1HA GLY 107 14.612 -8.746 2.735 794 HA3 GLY 107 2HA GLY 107 14.714 -7.548 1.454 795 H ILE 108 H ILE 108 16.768 -8.034 0.777 796 HA ILE 108 HA ILE 108 18.927 -7.791 2.756 797 HB ILE 108 HB ILE 108 20.237 -8.630 0.572 798 HG12 ILE 108 1HG1 ILE 108 17.904 -8.661 -0.585 799 HG13 ILE 108 2HG1 ILE 108 18.999 -10.016 -0.835 800 HG21 ILE 108 1HG2 ILE 108 20.412 -9.739 2.665 801 HG22 ILE 108 2HG2 ILE 108 18.737 -10.282 2.591 802 HG23 ILE 108 3HG2 ILE 108 19.931 -10.954 1.481 803 HD11 ILE 108 1HD1 ILE 108 16.812 -10.002 1.225 804 HD12 ILE 108 2HD1 ILE 108 16.627 -10.640 -0.409 805 HD13 ILE 108 3HD1 ILE 108 17.790 -11.371 0.697 806 HA PRO 109 HA PRO 109 19.556 -3.745 0.931 807 HB2 PRO 109 1HB PRO 109 21.485 -2.990 2.686 808 HB3 PRO 109 2HB PRO 109 19.763 -2.959 3.080 809 HG2 PRO 109 1HG PRO 109 21.827 -5.013 3.773 810 HG3 PRO 109 2HG PRO 109 20.545 -4.329 4.789 811 HD2 PRO 109 1HD PRO 109 20.328 -6.754 3.604 812 HD3 PRO 109 2HD PRO 109 18.927 -5.702 3.889 813 H LEU 110 H LEU 110 21.452 -2.574 0.073 814 HA LEU 110 HA LEU 110 23.475 -4.463 -0.926 815 HB2 LEU 110 1HB LEU 110 22.640 -1.820 -2.109 816 HB3 LEU 110 2HB LEU 110 23.743 -2.993 -2.825 817 HG LEU 110 HG LEU 110 20.947 -3.840 -2.242 818 HD11 LEU 110 1HD1 LEU 110 21.772 -1.827 -4.268 819 HD12 LEU 110 2HD1 LEU 110 20.271 -1.963 -3.352 820 HD13 LEU 110 3HD1 LEU 110 20.569 -3.036 -4.720 821 HD21 LEU 110 1HD2 LEU 110 23.197 -4.620 -4.000 822 HD22 LEU 110 2HD2 LEU 110 21.567 -4.843 -4.636 823 HD23 LEU 110 3HD2 LEU 110 22.038 -5.621 -3.125 824 H TYR 111 H TYR 111 25.615 -3.416 -1.461 825 HA TYR 111 HA TYR 111 26.336 -1.489 0.650 826 HB2 TYR 111 1HB TYR 111 27.645 -4.002 -0.264 827 HB3 TYR 111 2HB TYR 111 28.691 -2.670 0.216 828 HD1 TYR 111 2HD TYR 111 25.394 -3.512 1.686 829 HD2 TYR 111 1HD TYR 111 29.617 -3.543 2.203 830 HE1 TYR 111 2HE TYR 111 25.095 -4.133 4.047 831 HE2 TYR 111 1HE TYR 111 29.330 -4.165 4.565 832 HH TYR 111 HH TYR 111 26.750 -5.452 5.826 833 H GLU 112 H GLU 112 27.385 0.316 0.062 834 HA GLU 112 HA GLU 112 28.518 0.463 -2.647 835 HB2 GLU 112 1HB GLU 112 26.393 2.145 -1.438 836 HB3 GLU 112 2HB GLU 112 27.616 2.979 -2.387 837 HG2 GLU 112 1HG GLU 112 25.590 2.344 -3.666 838 HG3 GLU 112 2HG GLU 112 27.092 1.701 -4.327 839 H SER 113 H SER 113 29.803 2.603 -2.868 840 HA SER 113 HA SER 113 31.133 3.327 -0.363 841 HB2 SER 113 1HB SER 113 33.362 3.070 -1.450 842 HB3 SER 113 2HB SER 113 32.512 1.538 -1.251 843 HG SER 113 HG SER 113 32.244 1.388 -3.368 844 H ALA 114 H ALA 114 31.715 5.425 -0.248 845 HA ALA 114 HA ALA 114 31.927 7.017 -2.679 846 HB1 ALA 114 1HB ALA 114 29.819 7.739 -2.503 847 HB2 ALA 114 2HB ALA 114 29.647 7.117 -0.861 848 HB3 ALA 114 3HB ALA 114 30.400 8.688 -1.134 849 H VAL 115 H VAL 115 33.588 8.373 -2.522 850 HA VAL 115 HA VAL 115 34.618 9.009 0.164 851 HB VAL 115 HB VAL 115 36.123 9.040 -2.456 852 HG11 VAL 115 1HG1 VAL 115 36.870 10.597 -0.602 853 HG12 VAL 115 2HG1 VAL 115 37.254 9.148 0.329 854 HG13 VAL 115 3HG1 VAL 115 38.077 9.459 -1.200 855 HG21 VAL 115 1HG2 VAL 115 35.354 6.777 -1.569 856 HG22 VAL 115 2HG2 VAL 115 37.079 6.972 -1.881 857 HG23 VAL 115 3HG2 VAL 115 36.468 7.053 -0.229 858 H THR 116 H THR 116 33.702 10.918 0.697 859 HA THR 116 HA THR 116 32.914 12.980 -0.953 860 HB THR 116 HB THR 116 33.231 14.487 1.038 861 HG1 THR 116 1HG THR 116 33.756 13.193 3.010 862 HG21 THR 116 1HG2 THR 116 31.841 12.530 2.472 863 HG22 THR 116 2HG2 THR 116 31.539 12.164 0.774 864 HG23 THR 116 3HG2 THR 116 31.155 13.762 1.414 865 H ARG 117 H ARG 117 33.840 14.944 -1.605 866 HA ARG 117 HA ARG 117 36.632 14.769 -2.265 867 HB2 ARG 117 1HB ARG 117 34.541 16.887 -2.772 868 HB3 ARG 117 2HB ARG 117 36.206 17.023 -3.322 869 HG2 ARG 117 1HG ARG 117 35.731 14.701 -4.415 870 HG3 ARG 117 2HG ARG 117 34.045 15.199 -4.255 871 HD2 ARG 117 1HD ARG 117 34.332 17.040 -5.662 872 HD3 ARG 117 2HD ARG 117 36.087 17.014 -5.487 873 HE ARG 117 HE ARG 117 35.396 14.624 -6.683 874 HH11 ARG 117 2HH1 ARG 117 35.103 18.017 -7.407 875 HH12 ARG 117 1HH1 ARG 117 35.171 17.790 -9.123 876 HH21 ARG 117 2HH2 ARG 117 35.487 14.313 -8.940 877 HH22 ARG 117 1HH2 ARG 117 35.388 15.683 -9.994 878 HA PRO 118 HA PRO 118 38.377 17.082 1.033 879 HB2 PRO 118 1HB PRO 118 40.421 18.338 -0.238 880 HB3 PRO 118 2HB PRO 118 40.430 16.607 0.118 881 HG2 PRO 118 1HG PRO 118 39.761 18.012 -2.440 882 HG3 PRO 118 2HG PRO 118 40.731 16.549 -2.188 883 HD2 PRO 118 1HD PRO 118 38.153 16.464 -3.012 884 HD3 PRO 118 2HD PRO 118 38.873 15.198 -1.996 885 H HIS 119 H HIS 119 36.762 18.571 1.556 886 HA HIS 119 HA HIS 119 35.737 20.697 0.315 887 HB2 HIS 119 1HB HIS 119 35.480 19.984 2.777 888 HB3 HIS 119 2HB HIS 119 36.821 21.080 3.098 889 HD1 HIS 119 1HD HIS 119 36.066 23.459 1.358 890 HD2 HIS 119 2HD HIS 119 33.339 21.372 3.696 891 HE1 HIS 119 1HE HIS 119 34.168 25.058 1.765 892 HE2 HIS 119 2HE HIS 119 32.570 23.802 3.253 893 H THR 120 H THR 120 36.709 22.052 -1.048 894 HA THR 120 HA THR 120 39.183 23.385 -0.153 895 HB THR 120 HB THR 120 39.640 21.926 -2.059 896 HG1 THR 120 1HG THR 120 40.576 24.139 -1.855 897 HG21 THR 120 1HG2 THR 120 38.549 22.077 -4.135 898 HG22 THR 120 2HG2 THR 120 37.791 23.615 -3.722 899 HG23 THR 120 3HG2 THR 120 37.246 22.128 -2.948 900 H SER 121 H SER 121 39.509 25.567 -1.035 901 HA SER 121 HA SER 121 36.942 26.966 -1.412 902 HB2 SER 121 1HB SER 121 38.126 27.409 0.768 903 HB3 SER 121 2HB SER 121 39.439 28.130 -0.164 904 HG SER 121 HG SER 121 36.729 28.978 -0.214 905 H GLY 122 H GLY 122 36.698 28.102 -3.227 906 HA2 GLY 122 1HA GLY 122 38.348 29.782 -4.529 907 HA3 GLY 122 2HA GLY 122 38.893 28.218 -5.115 908 HA PRO 123 HA PRO 123 34.314 28.788 -6.611 909 HB2 PRO 123 1HB PRO 123 33.313 31.304 -6.415 910 HB3 PRO 123 2HB PRO 123 33.127 30.094 -5.140 911 HG2 PRO 123 1HG PRO 123 35.094 32.342 -5.346 912 HG3 PRO 123 2HG PRO 123 34.165 31.793 -3.938 913 HD2 PRO 123 1HD PRO 123 36.765 31.136 -4.315 914 HD3 PRO 123 2HD PRO 123 35.615 30.056 -3.501 915 H SER 124 H SER 124 33.988 29.048 -8.753 916 HA SER 124 HA SER 124 35.834 30.814 -10.187 917 HB2 SER 124 1HB SER 124 34.325 28.330 -10.917 918 HB3 SER 124 2HB SER 124 34.839 29.435 -12.192 919 HG SER 124 HG SER 124 36.404 27.815 -11.754 920 H SER 125 H SER 125 34.902 32.806 -10.183 921 HA SER 125 HA SER 125 32.277 33.533 -10.278 922 HB2 SER 125 1HB SER 125 32.999 35.649 -11.296 923 HB3 SER 125 2HB SER 125 34.128 35.139 -10.041 924 HG SER 125 HG SER 125 35.373 34.197 -11.829 925 H GLY 126 H GLY 126 34.361 32.925 -13.102 926 HA2 GLY 126 1HA GLY 126 31.971 32.185 -14.624 927 HA3 GLY 126 2HA GLY 126 32.975 33.479 -15.262 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -40.983 -8.898 -17.763 2 HA2 GLY 1 1HA GLY 1 -43.111 -7.916 -16.015 3 HA3 GLY 1 2HA GLY 1 -42.400 -9.472 -15.613 4 H SER 2 H SER 2 -40.972 -9.314 -14.031 5 HA SER 2 HA SER 2 -38.865 -7.332 -14.162 6 HB2 SER 2 1HB SER 2 -40.748 -6.196 -12.950 7 HB3 SER 2 2HB SER 2 -40.633 -7.443 -11.709 8 HG SER 2 HG SER 2 -38.952 -5.308 -12.247 9 H SER 3 H SER 3 -37.086 -7.811 -12.802 10 HA SER 3 HA SER 3 -37.185 -10.279 -11.254 11 HB2 SER 3 1HB SER 3 -36.485 -10.633 -13.775 12 HB3 SER 3 2HB SER 3 -34.932 -10.020 -13.206 13 HG SER 3 HG SER 3 -36.332 -12.326 -12.368 14 H GLY 4 H GLY 4 -34.904 -10.683 -10.271 15 HA2 GLY 4 1HA GLY 4 -32.924 -8.852 -9.947 16 HA3 GLY 4 2HA GLY 4 -34.192 -8.255 -8.887 17 H SER 5 H SER 5 -31.660 -10.514 -9.285 18 HA SER 5 HA SER 5 -32.440 -11.959 -6.851 19 HB2 SER 5 1HB SER 5 -30.628 -12.609 -9.151 20 HB3 SER 5 2HB SER 5 -30.389 -13.409 -7.598 21 HG SER 5 HG SER 5 -31.996 -14.213 -9.389 22 H SER 6 H SER 6 -29.649 -10.330 -8.332 23 HA SER 6 HA SER 6 -27.846 -10.505 -6.254 24 HB2 SER 6 1HB SER 6 -28.217 -8.078 -8.022 25 HB3 SER 6 2HB SER 6 -26.739 -8.572 -7.199 26 HG SER 6 HG SER 6 -27.021 -9.140 -9.527 27 H GLY 7 H GLY 7 -27.420 -9.365 -4.400 28 HA2 GLY 7 1HA GLY 7 -28.373 -6.950 -3.552 29 HA3 GLY 7 2HA GLY 7 -29.666 -8.074 -3.159 30 HA PRO 8 HA PRO 8 -25.876 -9.554 -0.559 31 HB2 PRO 8 1HB PRO 8 -23.636 -8.024 -0.655 32 HB3 PRO 8 2HB PRO 8 -23.930 -9.367 -1.765 33 HG2 PRO 8 1HG PRO 8 -24.326 -6.432 -2.198 34 HG3 PRO 8 2HG PRO 8 -23.626 -7.639 -3.292 35 HD2 PRO 8 1HD PRO 8 -26.173 -6.754 -3.537 36 HD3 PRO 8 2HD PRO 8 -25.691 -8.407 -3.968 37 H ALA 9 H ALA 9 -25.197 -8.934 1.560 38 HA ALA 9 HA ALA 9 -26.597 -6.589 2.542 39 HB1 ALA 9 1HB ALA 9 -26.498 -8.993 3.587 40 HB2 ALA 9 2HB ALA 9 -25.019 -8.379 4.327 41 HB3 ALA 9 3HB ALA 9 -26.555 -7.563 4.618 42 H THR 10 H THR 10 -24.403 -5.934 0.942 43 HA THR 10 HA THR 10 -22.677 -4.619 2.924 44 HB THR 10 HB THR 10 -21.679 -5.867 0.356 45 HG1 THR 10 1HG THR 10 -22.204 -7.176 2.415 46 HG21 THR 10 1HG2 THR 10 -19.480 -5.193 1.071 47 HG22 THR 10 2HG2 THR 10 -20.123 -4.554 2.584 48 HG23 THR 10 3HG2 THR 10 -20.524 -3.773 1.056 49 H ASP 11 H ASP 11 -21.861 -2.591 2.317 50 HA ASP 11 HA ASP 11 -23.532 -0.916 0.905 51 HB2 ASP 11 1HB ASP 11 -20.552 -0.543 1.268 52 HB3 ASP 11 2HB ASP 11 -21.732 0.725 0.952 53 H TRP 12 H TRP 12 -22.712 0.472 -1.030 54 HA TRP 12 HA TRP 12 -22.391 -1.362 -3.243 55 HB2 TRP 12 1HB TRP 12 -22.966 1.581 -3.016 56 HB3 TRP 12 2HB TRP 12 -22.551 0.858 -4.567 57 HD1 TRP 12 HD TRP 12 -25.040 -0.158 -1.749 58 HE1 TRP 12 1HE TRP 12 -27.289 -0.731 -2.862 59 HE3 TRP 12 3HE TRP 12 -23.784 0.734 -6.623 60 HZ2 TRP 12 2HZ TRP 12 -28.385 -0.798 -5.462 61 HZ3 TRP 12 3HZ TRP 12 -25.490 0.391 -8.363 62 HH2 TRP 12 HH TRP 12 -27.742 -0.360 -7.792 63 H LEU 13 H LEU 13 -20.446 -1.991 -3.886 64 HA LEU 13 HA LEU 13 -18.142 -0.244 -3.431 65 HB2 LEU 13 1HB LEU 13 -18.435 -3.168 -4.034 66 HB3 LEU 13 2HB LEU 13 -16.883 -2.347 -4.178 67 HG LEU 13 HG LEU 13 -17.462 -1.635 -1.684 68 HD11 LEU 13 1HD1 LEU 13 -18.542 -4.378 -1.525 69 HD12 LEU 13 2HD1 LEU 13 -19.640 -3.132 -2.116 70 HD13 LEU 13 3HD1 LEU 13 -18.883 -2.960 -0.533 71 HD21 LEU 13 1HD2 LEU 13 -16.201 -3.681 -0.956 72 HD22 LEU 13 2HD2 LEU 13 -15.440 -2.750 -2.246 73 HD23 LEU 13 3HD2 LEU 13 -16.295 -4.246 -2.624 74 H SER 14 H SER 14 -17.412 0.974 -5.031 75 HA SER 14 HA SER 14 -18.103 0.254 -7.792 76 HB2 SER 14 1HB SER 14 -17.710 2.586 -8.352 77 HB3 SER 14 2HB SER 14 -18.802 2.498 -6.970 78 HG SER 14 HG SER 14 -16.026 2.738 -6.576 79 H ALA 15 H ALA 15 -16.346 -1.393 -7.603 80 HA ALA 15 HA ALA 15 -14.146 -2.090 -7.760 81 HB1 ALA 15 1HB ALA 15 -13.120 -1.229 -9.860 82 HB2 ALA 15 2HB ALA 15 -14.779 -1.798 -10.049 83 HB3 ALA 15 3HB ALA 15 -14.443 -0.069 -9.974 84 H GLU 16 H GLU 16 -14.203 -0.360 -5.663 85 HA GLU 16 HA GLU 16 -11.969 1.496 -6.087 86 HB2 GLU 16 1HB GLU 16 -13.866 2.560 -5.080 87 HB3 GLU 16 2HB GLU 16 -14.021 1.280 -3.885 88 HG2 GLU 16 1HG GLU 16 -12.234 2.034 -2.644 89 HG3 GLU 16 2HG GLU 16 -11.514 2.890 -4.006 90 H THR 17 H THR 17 -10.380 -0.180 -6.135 91 HA THR 17 HA THR 17 -9.737 -1.220 -3.454 92 HB THR 17 HB THR 17 -8.718 -3.203 -4.531 93 HG1 THR 17 1HG THR 17 -8.706 -1.931 -6.677 94 HG21 THR 17 1HG2 THR 17 -10.968 -4.176 -5.380 95 HG22 THR 17 2HG2 THR 17 -11.640 -2.626 -4.874 96 HG23 THR 17 3HG2 THR 17 -10.840 -3.667 -3.697 97 H PHE 18 H PHE 18 -7.563 -1.269 -2.873 98 HA PHE 18 HA PHE 18 -5.845 0.465 -4.498 99 HB2 PHE 18 1HB PHE 18 -4.448 0.443 -2.312 100 HB3 PHE 18 2HB PHE 18 -5.950 1.361 -2.344 101 HD1 PHE 18 2HD PHE 18 -4.331 -1.707 -1.129 102 HD2 PHE 18 1HD PHE 18 -7.805 0.748 -0.983 103 HE1 PHE 18 2HE PHE 18 -5.132 -2.963 0.829 104 HE2 PHE 18 1HE PHE 18 -8.611 -0.503 0.976 105 HZ PHE 18 HZ PHE 18 -7.275 -2.362 1.884 106 H GLU 19 H GLU 19 -5.721 -2.566 -2.641 107 HA GLU 19 HA GLU 19 -3.689 -3.545 -4.514 108 HB2 GLU 19 1HB GLU 19 -2.204 -4.248 -2.858 109 HB3 GLU 19 2HB GLU 19 -2.712 -2.661 -2.296 110 HG2 GLU 19 1HG GLU 19 -4.517 -4.047 -0.996 111 HG3 GLU 19 2HG GLU 19 -3.355 -5.354 -1.212 112 H SER 20 H SER 20 -4.311 -5.414 -5.350 113 HA SER 20 HA SER 20 -5.884 -7.264 -3.692 114 HB2 SER 20 1HB SER 20 -7.219 -7.828 -5.750 115 HB3 SER 20 2HB SER 20 -7.504 -6.206 -5.120 116 HG SER 20 HG SER 20 -7.192 -5.882 -7.242 117 H ASP 21 H ASP 21 -4.217 -6.986 -6.832 118 HA ASP 21 HA ASP 21 -3.497 -9.791 -6.763 119 HB2 ASP 21 1HB ASP 21 -2.348 -9.239 -8.938 120 HB3 ASP 21 2HB ASP 21 -4.080 -8.923 -8.914 121 H LEU 22 H LEU 22 -1.956 -6.669 -6.303 122 HA LEU 22 HA LEU 22 0.705 -7.255 -6.419 123 HB2 LEU 22 1HB LEU 22 -0.638 -5.598 -4.289 124 HB3 LEU 22 2HB LEU 22 1.065 -5.523 -4.735 125 HG LEU 22 HG LEU 22 -1.085 -4.919 -6.738 126 HD11 LEU 22 1HD1 LEU 22 -1.444 -3.525 -4.709 127 HD12 LEU 22 2HD1 LEU 22 -1.016 -2.601 -6.148 128 HD13 LEU 22 3HD1 LEU 22 0.194 -2.902 -4.902 129 HD21 LEU 22 1HD2 LEU 22 0.634 -4.462 -8.065 130 HD22 LEU 22 2HD2 LEU 22 1.714 -5.078 -6.813 131 HD23 LEU 22 3HD2 LEU 22 1.320 -3.359 -6.872 132 H ASP 23 H ASP 23 2.186 -8.337 -5.232 133 HA ASP 23 HA ASP 23 1.170 -10.049 -3.098 134 HB2 ASP 23 1HB ASP 23 2.700 -10.735 -5.146 135 HB3 ASP 23 2HB ASP 23 3.989 -10.199 -4.073 136 H GLU 24 H GLU 24 1.133 -9.016 -1.188 137 HA GLU 24 HA GLU 24 3.492 -7.449 -0.400 138 HB2 GLU 24 1HB GLU 24 1.329 -6.269 -0.321 139 HB3 GLU 24 2HB GLU 24 0.717 -7.477 0.799 140 HG2 GLU 24 1HG GLU 24 2.207 -6.784 2.504 141 HG3 GLU 24 2HG GLU 24 3.119 -5.773 1.384 142 H THR 25 H THR 25 1.433 -10.132 0.527 143 HA THR 25 HA THR 25 2.060 -10.707 3.077 144 HB THR 25 HB THR 25 0.701 -12.169 1.578 145 HG1 THR 25 1HG THR 25 1.248 -13.004 3.583 146 HG21 THR 25 1HG2 THR 25 2.898 -12.256 -0.017 147 HG22 THR 25 2HG2 THR 25 1.576 -13.421 -0.083 148 HG23 THR 25 3HG2 THR 25 3.037 -13.795 0.832 149 H ARG 26 H ARG 26 4.275 -10.726 0.407 150 HA ARG 26 HA ARG 26 6.386 -11.825 2.136 151 HB2 ARG 26 1HB ARG 26 7.572 -12.469 0.188 152 HB3 ARG 26 2HB ARG 26 5.899 -12.933 -0.091 153 HG2 ARG 26 1HG ARG 26 5.568 -10.953 -1.471 154 HG3 ARG 26 2HG ARG 26 7.237 -10.463 -1.175 155 HD2 ARG 26 1HD ARG 26 6.562 -13.131 -2.373 156 HD3 ARG 26 2HD ARG 26 6.714 -11.682 -3.367 157 HE ARG 26 HE ARG 26 9.000 -11.692 -3.003 158 HH11 ARG 26 2HH1 ARG 26 7.438 -14.101 -1.034 159 HH12 ARG 26 1HH1 ARG 26 8.917 -14.889 -0.595 160 HH21 ARG 26 2HH2 ARG 26 10.954 -12.721 -2.432 161 HH22 ARG 26 1HH2 ARG 26 10.916 -14.102 -1.390 162 H VAL 27 H VAL 27 8.525 -10.836 1.976 163 HA VAL 27 HA VAL 27 8.302 -7.931 1.899 164 HB VAL 27 HB VAL 27 10.381 -7.851 3.069 165 HG11 VAL 27 1HG1 VAL 27 8.645 -8.307 4.574 166 HG12 VAL 27 2HG1 VAL 27 8.512 -9.987 4.049 167 HG13 VAL 27 3HG1 VAL 27 9.908 -9.464 4.993 168 HG21 VAL 27 1HG2 VAL 27 11.259 -10.384 3.586 169 HG22 VAL 27 2HG2 VAL 27 10.741 -10.513 1.905 170 HG23 VAL 27 3HG2 VAL 27 11.939 -9.305 2.369 171 HA PRO 28 HA PRO 28 10.309 -7.458 -1.987 172 HB2 PRO 28 1HB PRO 28 11.372 -4.983 -1.647 173 HB3 PRO 28 2HB PRO 28 9.645 -5.260 -1.898 174 HG2 PRO 28 1HG PRO 28 11.133 -4.777 0.653 175 HG3 PRO 28 2HG PRO 28 9.580 -4.107 0.120 176 HD2 PRO 28 1HD PRO 28 9.755 -6.171 1.864 177 HD3 PRO 28 2HD PRO 28 8.416 -6.007 0.711 178 H GLU 29 H GLU 29 12.128 -8.413 -2.629 179 HA GLU 29 HA GLU 29 14.396 -8.668 -0.897 180 HB2 GLU 29 1HB GLU 29 14.351 -9.372 -3.823 181 HB3 GLU 29 2HB GLU 29 15.313 -10.096 -2.541 182 HG2 GLU 29 1HG GLU 29 12.357 -10.280 -2.347 183 HG3 GLU 29 2HG GLU 29 13.183 -11.290 -3.532 184 H VAL 30 H VAL 30 16.631 -8.412 -2.243 185 HA VAL 30 HA VAL 30 17.302 -5.751 -2.188 186 HB VAL 30 HB VAL 30 19.125 -7.188 -2.216 187 HG11 VAL 30 1HG1 VAL 30 18.350 -9.216 -3.001 188 HG12 VAL 30 2HG1 VAL 30 17.731 -8.519 -4.500 189 HG13 VAL 30 3HG1 VAL 30 19.468 -8.737 -4.278 190 HG21 VAL 30 1HG2 VAL 30 19.547 -6.611 -5.046 191 HG22 VAL 30 2HG2 VAL 30 18.994 -5.217 -4.119 192 HG23 VAL 30 3HG2 VAL 30 20.456 -6.075 -3.633 193 HA PRO 31 HA PRO 31 15.353 -4.042 -5.778 194 HB2 PRO 31 1HB PRO 31 16.632 -1.647 -5.746 195 HB3 PRO 31 2HB PRO 31 15.332 -2.057 -4.620 196 HG2 PRO 31 1HG PRO 31 18.295 -2.122 -4.198 197 HG3 PRO 31 2HG PRO 31 17.023 -1.530 -3.113 198 HD2 PRO 31 1HD PRO 31 18.181 -3.959 -2.812 199 HD3 PRO 31 2HD PRO 31 16.487 -3.649 -2.382 200 H SER 32 H SER 32 16.038 -2.950 -7.839 201 HA SER 32 HA SER 32 17.726 -4.479 -9.338 202 HB2 SER 32 1HB SER 32 17.466 -2.927 -11.041 203 HB3 SER 32 2HB SER 32 16.114 -2.501 -9.992 204 HG SER 32 HG SER 32 18.654 -1.238 -10.092 205 H SER 33 H SER 33 18.578 -1.375 -7.811 206 HA SER 33 HA SER 33 21.172 -2.198 -7.085 207 HB2 SER 33 1HB SER 33 21.297 -1.945 -9.672 208 HB3 SER 33 2HB SER 33 21.278 -0.213 -9.341 209 HG SER 33 HG SER 33 23.176 -2.134 -8.486 210 H LEU 34 H LEU 34 22.591 0.014 -6.842 211 HA LEU 34 HA LEU 34 20.911 2.218 -5.968 212 HB2 LEU 34 1HB LEU 34 20.829 1.280 -3.905 213 HB3 LEU 34 2HB LEU 34 22.309 0.355 -4.149 214 HG LEU 34 HG LEU 34 23.577 2.509 -3.820 215 HD11 LEU 34 1HD1 LEU 34 22.137 4.263 -4.123 216 HD12 LEU 34 2HD1 LEU 34 22.117 4.132 -2.365 217 HD13 LEU 34 3HD1 LEU 34 20.797 3.449 -3.314 218 HD21 LEU 34 1HD2 LEU 34 23.720 2.163 -1.558 219 HD22 LEU 34 2HD2 LEU 34 22.953 0.659 -2.068 220 HD23 LEU 34 3HD2 LEU 34 21.980 1.952 -1.367 221 H HIS 35 H HIS 35 21.836 3.930 -6.863 222 HA HIS 35 HA HIS 35 24.742 3.975 -7.225 223 HB2 HIS 35 1HB HIS 35 23.669 4.480 -9.256 224 HB3 HIS 35 2HB HIS 35 22.472 5.506 -8.472 225 HD1 HIS 35 1HD HIS 35 22.846 7.869 -9.045 226 HD2 HIS 35 2HD HIS 35 26.427 5.786 -8.728 227 HE1 HIS 35 1HE HIS 35 24.651 9.559 -9.506 228 HE2 HIS 35 2HE HIS 35 26.804 8.257 -9.393 229 H VAL 36 H VAL 36 26.045 5.584 -6.408 230 HA VAL 36 HA VAL 36 24.799 7.582 -4.653 231 HB VAL 36 HB VAL 36 26.769 7.185 -3.061 232 HG11 VAL 36 1HG1 VAL 36 24.928 6.550 -1.954 233 HG12 VAL 36 2HG1 VAL 36 24.256 5.719 -3.359 234 HG13 VAL 36 3HG1 VAL 36 25.444 4.908 -2.338 235 HG21 VAL 36 1HG2 VAL 36 27.686 4.924 -3.041 236 HG22 VAL 36 2HG2 VAL 36 26.787 4.536 -4.508 237 HG23 VAL 36 3HG2 VAL 36 28.069 5.746 -4.553 238 H ARG 37 H ARG 37 25.907 9.519 -4.459 239 HA ARG 37 HA ARG 37 28.349 9.805 -6.074 240 HB2 ARG 37 1HB ARG 37 26.044 10.679 -7.048 241 HB3 ARG 37 2HB ARG 37 26.380 12.045 -5.993 242 HG2 ARG 37 1HG ARG 37 28.499 11.089 -7.857 243 HG3 ARG 37 2HG ARG 37 27.164 12.062 -8.479 244 HD2 ARG 37 1HD ARG 37 27.719 13.888 -7.097 245 HD3 ARG 37 2HD ARG 37 28.785 12.906 -6.094 246 HE ARG 37 HE ARG 37 29.849 12.822 -8.633 247 HH11 ARG 37 2HH1 ARG 37 29.106 15.274 -6.277 248 HH12 ARG 37 1HH1 ARG 37 30.376 16.335 -6.789 249 HH21 ARG 37 2HH2 ARG 37 31.525 14.210 -9.316 250 HH22 ARG 37 1HH2 ARG 37 31.751 15.729 -8.518 251 HA PRO 38 HA PRO 38 29.605 11.502 -2.116 252 HB2 PRO 38 1HB PRO 38 32.229 11.721 -2.775 253 HB3 PRO 38 2HB PRO 38 31.483 10.191 -2.302 254 HG2 PRO 38 1HG PRO 38 32.098 11.231 -5.040 255 HG3 PRO 38 2HG PRO 38 32.332 9.601 -4.384 256 HD2 PRO 38 1HD PRO 38 30.232 10.246 -5.967 257 HD3 PRO 38 2HD PRO 38 30.120 9.027 -4.682 258 H LEU 39 H LEU 39 29.273 13.573 -1.638 259 HA LEU 39 HA LEU 39 30.252 15.627 -3.511 260 HB2 LEU 39 1HB LEU 39 27.747 15.394 -1.927 261 HB3 LEU 39 2HB LEU 39 28.424 17.002 -2.176 262 HG LEU 39 HG LEU 39 28.411 16.309 -4.693 263 HD11 LEU 39 1HD1 LEU 39 26.640 14.787 -5.293 264 HD12 LEU 39 2HD1 LEU 39 26.247 14.521 -3.595 265 HD13 LEU 39 3HD1 LEU 39 27.791 13.963 -4.241 266 HD21 LEU 39 1HD2 LEU 39 27.013 18.045 -3.420 267 HD22 LEU 39 2HD2 LEU 39 25.732 16.833 -3.449 268 HD23 LEU 39 3HD2 LEU 39 26.395 17.452 -4.962 269 H VAL 40 H VAL 40 31.035 17.604 -2.595 270 HA VAL 40 HA VAL 40 32.989 17.559 -0.815 271 HB VAL 40 HB VAL 40 30.920 19.756 -0.956 272 HG11 VAL 40 1HG1 VAL 40 31.987 20.787 0.693 273 HG12 VAL 40 2HG1 VAL 40 33.099 19.426 0.848 274 HG13 VAL 40 3HG1 VAL 40 33.474 20.751 -0.255 275 HG21 VAL 40 1HG2 VAL 40 32.076 20.640 -2.711 276 HG22 VAL 40 2HG2 VAL 40 33.615 19.957 -2.188 277 HG23 VAL 40 3HG2 VAL 40 32.420 18.932 -2.983 278 H THR 41 H THR 41 29.881 18.780 0.411 279 HA THR 41 HA THR 41 30.444 17.389 2.949 280 HB THR 41 HB THR 41 28.977 19.181 3.990 281 HG1 THR 41 1HG THR 41 28.043 20.433 2.561 282 HG21 THR 41 1HG2 THR 41 31.656 19.089 3.617 283 HG22 THR 41 2HG2 THR 41 30.835 20.345 4.544 284 HG23 THR 41 3HG2 THR 41 31.278 20.637 2.862 285 H SER 42 H SER 42 28.911 16.496 0.534 286 HA SER 42 HA SER 42 26.562 15.578 1.978 287 HB2 SER 42 1HB SER 42 25.225 16.120 -0.231 288 HB3 SER 42 2HB SER 42 25.425 17.349 1.018 289 HG SER 42 HG SER 42 26.359 17.303 -1.538 290 H ILE 43 H ILE 43 25.225 14.167 0.227 291 HA ILE 43 HA ILE 43 26.903 12.759 -1.639 292 HB ILE 43 HB ILE 43 25.946 11.311 0.834 293 HG12 ILE 43 1HG1 ILE 43 28.700 12.054 -0.162 294 HG13 ILE 43 2HG1 ILE 43 27.936 12.550 1.345 295 HG21 ILE 43 1HG2 ILE 43 27.694 10.009 -1.171 296 HG22 ILE 43 2HG2 ILE 43 26.437 9.322 -0.145 297 HG23 ILE 43 3HG2 ILE 43 25.996 10.222 -1.596 298 HD11 ILE 43 1HD1 ILE 43 29.019 10.875 2.305 299 HD12 ILE 43 2HD1 ILE 43 27.927 9.784 1.451 300 HD13 ILE 43 3HD1 ILE 43 29.490 10.196 0.747 301 H VAL 44 H VAL 44 25.514 12.724 -3.287 302 HA VAL 44 HA VAL 44 22.682 12.528 -2.946 303 HB VAL 44 HB VAL 44 24.383 12.333 -5.434 304 HG11 VAL 44 1HG1 VAL 44 21.546 11.853 -4.999 305 HG12 VAL 44 2HG1 VAL 44 21.854 13.105 -6.205 306 HG13 VAL 44 3HG1 VAL 44 22.552 11.498 -6.403 307 HG21 VAL 44 1HG2 VAL 44 23.130 14.560 -3.933 308 HG22 VAL 44 2HG2 VAL 44 24.629 14.520 -4.861 309 HG23 VAL 44 3HG2 VAL 44 23.080 14.642 -5.694 310 H VAL 45 H VAL 45 21.781 10.684 -2.289 311 HA VAL 45 HA VAL 45 22.858 8.133 -3.256 312 HB VAL 45 HB VAL 45 20.876 8.671 -1.040 313 HG11 VAL 45 1HG1 VAL 45 21.835 6.164 -0.621 314 HG12 VAL 45 2HG1 VAL 45 20.311 6.532 -1.432 315 HG13 VAL 45 3HG1 VAL 45 21.765 6.217 -2.382 316 HG21 VAL 45 1HG2 VAL 45 23.020 9.460 -0.368 317 HG22 VAL 45 2HG2 VAL 45 22.776 7.895 0.409 318 HG23 VAL 45 3HG2 VAL 45 23.818 8.023 -1.008 319 H SER 46 H SER 46 21.985 7.745 -5.223 320 HA SER 46 HA SER 46 19.062 7.950 -5.494 321 HB2 SER 46 1HB SER 46 19.360 8.183 -7.851 322 HB3 SER 46 2HB SER 46 20.540 9.253 -7.094 323 HG SER 46 HG SER 46 21.874 7.121 -7.309 324 H TRP 47 H TRP 47 17.871 6.173 -5.827 325 HA TRP 47 HA TRP 47 19.217 3.687 -6.613 326 HB2 TRP 47 1HB TRP 47 18.071 2.419 -4.891 327 HB3 TRP 47 2HB TRP 47 18.997 3.716 -4.140 328 HD1 TRP 47 HD TRP 47 15.445 2.476 -4.639 329 HE1 TRP 47 1HE TRP 47 13.851 3.887 -3.193 330 HE3 TRP 47 3HE TRP 47 18.709 6.118 -3.149 331 HZ2 TRP 47 2HZ TRP 47 13.961 6.234 -1.628 332 HZ3 TRP 47 3HZ TRP 47 17.885 7.910 -1.678 333 HH2 TRP 47 HH TRP 47 15.560 7.965 -0.935 334 H THR 48 H THR 48 17.374 1.919 -6.872 335 HA THR 48 HA THR 48 15.004 3.114 -8.115 336 HB THR 48 HB THR 48 15.384 1.253 -9.953 337 HG1 THR 48 1HG THR 48 17.792 1.408 -10.396 338 HG21 THR 48 1HG2 THR 48 15.131 3.557 -10.535 339 HG22 THR 48 2HG2 THR 48 16.590 2.973 -11.336 340 HG23 THR 48 3HG2 THR 48 16.717 3.957 -9.878 341 HA PRO 49 HA PRO 49 12.801 -0.234 -6.325 342 HB2 PRO 49 1HB PRO 49 10.868 -0.685 -8.178 343 HB3 PRO 49 2HB PRO 49 10.881 0.738 -7.129 344 HG2 PRO 49 1HG PRO 49 11.779 0.472 -9.972 345 HG3 PRO 49 2HG PRO 49 10.840 1.770 -9.212 346 HD2 PRO 49 1HD PRO 49 13.495 1.986 -9.700 347 HD3 PRO 49 2HD PRO 49 12.712 2.769 -8.312 348 HA PRO 50 HA PRO 50 14.243 -4.088 -7.890 349 HB2 PRO 50 1HB PRO 50 12.368 -5.775 -6.886 350 HB3 PRO 50 2HB PRO 50 13.599 -5.000 -5.882 351 HG2 PRO 50 1HG PRO 50 10.736 -4.230 -6.301 352 HG3 PRO 50 2HG PRO 50 11.674 -4.274 -4.797 353 HD2 PRO 50 1HD PRO 50 11.193 -1.977 -6.147 354 HD3 PRO 50 2HD PRO 50 12.682 -2.245 -5.218 355 H GLU 51 H GLU 51 14.098 -5.111 -9.791 356 HA GLU 51 HA GLU 51 12.456 -4.556 -11.834 357 HB2 GLU 51 1HB GLU 51 13.598 -7.264 -11.140 358 HB3 GLU 51 2HB GLU 51 12.864 -6.886 -12.692 359 HG2 GLU 51 1HG GLU 51 14.564 -5.375 -13.255 360 HG3 GLU 51 2HG GLU 51 15.156 -5.296 -11.596 361 H ASN 52 H ASN 52 11.668 -6.610 -9.122 362 HA ASN 52 HA ASN 52 9.135 -7.412 -10.321 363 HB2 ASN 52 1HB ASN 52 10.595 -8.998 -8.981 364 HB3 ASN 52 2HB ASN 52 10.138 -8.077 -7.551 365 HD21 ASN 52 1HD2 ASN 52 9.575 -10.868 -8.787 366 HD22 ASN 52 2HD2 ASN 52 7.880 -11.064 -8.521 367 H GLN 53 H GLN 53 8.082 -5.394 -10.399 368 HA GLN 53 HA GLN 53 7.714 -3.818 -8.031 369 HB2 GLN 53 1HB GLN 53 6.746 -3.699 -10.851 370 HB3 GLN 53 2HB GLN 53 5.870 -2.787 -9.628 371 HG2 GLN 53 1HG GLN 53 8.835 -2.526 -9.851 372 HG3 GLN 53 2HG GLN 53 7.778 -1.656 -10.961 373 HE21 GLN 53 1HE2 GLN 53 9.074 -1.814 -7.805 374 HE22 GLN 53 2HE2 GLN 53 8.303 -0.404 -7.170 375 H ASN 54 H ASN 54 6.171 -6.542 -9.408 376 HA ASN 54 HA ASN 54 3.531 -6.284 -8.664 377 HB2 ASN 54 1HB ASN 54 5.366 -8.657 -8.818 378 HB3 ASN 54 2HB ASN 54 3.705 -8.851 -8.267 379 HD21 ASN 54 1HD2 ASN 54 2.181 -7.420 -9.791 380 HD22 ASN 54 2HD2 ASN 54 2.362 -7.798 -11.467 381 H ILE 55 H ILE 55 6.273 -6.415 -6.650 382 HA ILE 55 HA ILE 55 4.779 -7.299 -4.309 383 HB ILE 55 HB ILE 55 7.640 -6.357 -4.369 384 HG12 ILE 55 1HG1 ILE 55 6.798 -9.241 -4.533 385 HG13 ILE 55 2HG1 ILE 55 7.038 -8.281 -5.988 386 HG21 ILE 55 1HG2 ILE 55 7.864 -7.641 -2.341 387 HG22 ILE 55 2HG2 ILE 55 6.513 -6.522 -2.175 388 HG23 ILE 55 3HG2 ILE 55 6.209 -8.230 -2.490 389 HD11 ILE 55 1HD1 ILE 55 9.075 -9.318 -5.722 390 HD12 ILE 55 2HD1 ILE 55 9.351 -7.755 -4.953 391 HD13 ILE 55 3HD1 ILE 55 9.034 -9.181 -3.965 392 H VAL 56 H VAL 56 4.335 -6.025 -2.532 393 HA VAL 56 HA VAL 56 4.100 -3.194 -3.061 394 HB VAL 56 HB VAL 56 3.278 -4.842 -0.668 395 HG11 VAL 56 1HG1 VAL 56 3.313 -2.858 0.391 396 HG12 VAL 56 2HG1 VAL 56 3.351 -1.938 -1.115 397 HG13 VAL 56 3HG1 VAL 56 1.821 -2.566 -0.502 398 HG21 VAL 56 1HG2 VAL 56 1.678 -5.465 -2.119 399 HG22 VAL 56 2HG2 VAL 56 1.003 -3.869 -1.789 400 HG23 VAL 56 3HG2 VAL 56 2.008 -4.124 -3.216 401 H VAL 57 H VAL 57 5.184 -1.550 -2.077 402 HA VAL 57 HA VAL 57 7.214 -2.249 -0.068 403 HB VAL 57 HB VAL 57 7.706 -0.402 -2.407 404 HG11 VAL 57 1HG1 VAL 57 10.124 -1.091 -1.266 405 HG12 VAL 57 2HG1 VAL 57 9.275 0.443 -1.064 406 HG13 VAL 57 3HG1 VAL 57 9.065 -0.845 0.122 407 HG21 VAL 57 1HG2 VAL 57 8.734 -2.072 -3.534 408 HG22 VAL 57 2HG2 VAL 57 9.296 -2.867 -2.064 409 HG23 VAL 57 3HG2 VAL 57 7.629 -3.080 -2.600 410 H ARG 58 H ARG 58 6.880 -1.096 1.705 411 HA ARG 58 HA ARG 58 5.257 1.292 1.641 412 HB2 ARG 58 1HB ARG 58 6.640 -0.120 3.929 413 HB3 ARG 58 2HB ARG 58 5.554 1.251 4.108 414 HG2 ARG 58 1HG ARG 58 4.607 -1.192 2.685 415 HG3 ARG 58 2HG ARG 58 4.681 -1.177 4.448 416 HD2 ARG 58 1HD ARG 58 2.554 -0.404 4.139 417 HD3 ARG 58 2HD ARG 58 3.433 1.124 4.137 418 HE ARG 58 HE ARG 58 3.193 0.033 1.516 419 HH11 ARG 58 2HH1 ARG 58 1.481 1.798 3.980 420 HH12 ARG 58 1HH1 ARG 58 0.422 2.590 2.860 421 HH21 ARG 58 2HH2 ARG 58 1.805 1.069 0.032 422 HH22 ARG 58 1HH2 ARG 58 0.607 2.174 0.615 423 H GLY 59 H GLY 59 8.523 0.619 1.272 424 HA2 GLY 59 1HA GLY 59 9.516 3.026 0.742 425 HA3 GLY 59 2HA GLY 59 9.462 3.092 2.497 426 H TYR 60 H TYR 60 11.864 3.448 1.597 427 HA TYR 60 HA TYR 60 13.204 0.843 1.905 428 HB2 TYR 60 1HB TYR 60 14.289 3.153 0.291 429 HB3 TYR 60 2HB TYR 60 14.926 1.515 0.380 430 HD1 TYR 60 2HD TYR 60 12.057 3.528 -0.827 431 HD2 TYR 60 1HD TYR 60 14.148 -0.168 -1.077 432 HE1 TYR 60 2HE TYR 60 10.706 2.904 -2.785 433 HE2 TYR 60 1HE TYR 60 12.804 -0.803 -3.037 434 HH TYR 60 HH TYR 60 11.369 0.942 -4.926 435 H ALA 61 H ALA 61 15.314 0.922 2.910 436 HA ALA 61 HA ALA 61 15.571 3.196 4.766 437 HB1 ALA 61 1HB ALA 61 16.846 1.488 6.185 438 HB2 ALA 61 2HB ALA 61 15.092 1.327 6.083 439 HB3 ALA 61 3HB ALA 61 16.132 0.272 5.126 440 H ILE 62 H ILE 62 17.382 4.367 4.711 441 HA ILE 62 HA ILE 62 19.627 3.355 3.096 442 HB ILE 62 HB ILE 62 18.928 6.227 3.716 443 HG12 ILE 62 1HG1 ILE 62 18.817 5.042 0.974 444 HG13 ILE 62 2HG1 ILE 62 17.478 4.743 2.076 445 HG21 ILE 62 1HG2 ILE 62 21.168 6.371 3.338 446 HG22 ILE 62 2HG2 ILE 62 21.208 4.910 2.352 447 HG23 ILE 62 3HG2 ILE 62 20.603 6.419 1.668 448 HD11 ILE 62 1HD1 ILE 62 16.640 6.751 1.689 449 HD12 ILE 62 2HD1 ILE 62 18.176 7.528 2.073 450 HD13 ILE 62 3HD1 ILE 62 17.862 6.956 0.434 451 H GLY 63 H GLY 63 21.275 2.660 4.283 452 HA2 GLY 63 1HA GLY 63 21.770 3.941 6.892 453 HA3 GLY 63 2HA GLY 63 22.265 2.311 6.458 454 H TYR 64 H TYR 64 23.458 5.238 7.106 455 HA TYR 64 HA TYR 64 25.795 4.810 5.373 456 HB2 TYR 64 1HB TYR 64 26.052 7.204 5.068 457 HB3 TYR 64 2HB TYR 64 24.451 6.713 4.526 458 HD1 TYR 64 1HD TYR 64 22.521 6.996 6.243 459 HD2 TYR 64 2HD TYR 64 26.272 8.980 6.550 460 HE1 TYR 64 1HE TYR 64 21.501 8.683 7.714 461 HE2 TYR 64 2HE TYR 64 25.263 10.672 8.023 462 HH TYR 64 HH TYR 64 22.729 10.392 9.681 463 H GLY 65 H GLY 65 27.809 5.560 6.237 464 HA2 GLY 65 1HA GLY 65 28.306 6.808 8.621 465 HA3 GLY 65 2HA GLY 65 28.008 5.135 9.068 466 H ILE 66 H ILE 66 30.460 6.828 9.185 467 HA ILE 66 HA ILE 66 32.288 5.887 7.223 468 HB ILE 66 HB ILE 66 32.805 7.057 9.959 469 HG12 ILE 66 1HG1 ILE 66 33.184 8.421 7.305 470 HG13 ILE 66 2HG1 ILE 66 31.617 8.420 8.107 471 HG21 ILE 66 1HG2 ILE 66 34.584 5.678 8.310 472 HG22 ILE 66 2HG2 ILE 66 34.939 7.386 8.054 473 HG23 ILE 66 3HG2 ILE 66 34.983 6.711 9.683 474 HD11 ILE 66 1HD1 ILE 66 33.780 10.163 8.516 475 HD12 ILE 66 2HD1 ILE 66 32.243 10.110 9.380 476 HD13 ILE 66 3HD1 ILE 66 33.624 9.191 9.978 477 H GLY 67 H GLY 67 32.445 3.705 7.050 478 HA2 GLY 67 1HA GLY 67 33.805 1.839 7.735 479 HA3 GLY 67 2HA GLY 67 33.514 2.297 9.407 480 H SER 68 H SER 68 30.768 2.615 9.404 481 HA SER 68 HA SER 68 29.729 0.010 8.529 482 HB2 SER 68 1HB SER 68 28.697 -0.402 10.667 483 HB3 SER 68 2HB SER 68 30.408 -0.076 10.947 484 HG SER 68 HG SER 68 28.188 1.606 11.417 485 HA PRO 69 HA PRO 69 26.461 2.582 7.014 486 HB2 PRO 69 1HB PRO 69 24.759 0.583 6.320 487 HB3 PRO 69 2HB PRO 69 26.195 0.994 5.374 488 HG2 PRO 69 1HG PRO 69 25.808 -1.198 7.376 489 HG3 PRO 69 2HG PRO 69 26.618 -1.252 5.800 490 HD2 PRO 69 1HD PRO 69 27.981 -1.057 8.132 491 HD3 PRO 69 2HD PRO 69 28.559 -0.320 6.624 492 H HIS 70 H HIS 70 26.181 0.318 9.616 493 HA HIS 70 HA HIS 70 23.461 0.827 10.284 494 HB2 HIS 70 1HB HIS 70 25.775 -0.500 11.626 495 HB3 HIS 70 2HB HIS 70 24.382 -0.054 12.607 496 HD1 HIS 70 1HD HIS 70 22.584 -1.749 12.707 497 HD2 HIS 70 2HD HIS 70 24.951 -2.202 9.323 498 HE1 HIS 70 1HE HIS 70 21.742 -3.828 11.571 499 HE2 HIS 70 2HE HIS 70 23.244 -4.130 9.573 500 H ALA 71 H ALA 71 26.401 2.527 10.798 501 HA ALA 71 HA ALA 71 26.187 3.893 13.107 502 HB1 ALA 71 1HB ALA 71 27.700 5.299 12.238 503 HB2 ALA 71 2HB ALA 71 27.640 4.237 10.830 504 HB3 ALA 71 3HB ALA 71 26.673 5.712 10.864 505 H GLN 72 H GLN 72 24.412 4.720 10.136 506 HA GLN 72 HA GLN 72 22.363 5.995 11.791 507 HB2 GLN 72 1HB GLN 72 23.827 7.290 9.498 508 HB3 GLN 72 2HB GLN 72 22.243 7.841 10.027 509 HG2 GLN 72 1HG GLN 72 23.658 9.255 11.159 510 HG3 GLN 72 2HG GLN 72 23.344 8.003 12.360 511 HE21 GLN 72 1HE2 GLN 72 25.542 8.299 9.586 512 HE22 GLN 72 2HE2 GLN 72 26.977 7.906 10.464 513 H THR 73 H THR 73 20.309 6.247 10.708 514 HA THR 73 HA THR 73 19.984 4.729 8.227 515 HB THR 73 HB THR 73 18.277 4.191 10.663 516 HG1 THR 73 1HG THR 73 20.050 2.323 9.505 517 HG21 THR 73 1HG2 THR 73 17.386 3.928 8.233 518 HG22 THR 73 2HG2 THR 73 17.129 2.624 9.393 519 HG23 THR 73 3HG2 THR 73 18.419 2.500 8.196 520 H ILE 74 H ILE 74 18.273 5.376 6.962 521 HA ILE 74 HA ILE 74 16.477 7.434 8.024 522 HB ILE 74 HB ILE 74 18.084 7.710 5.483 523 HG12 ILE 74 1HG1 ILE 74 17.962 9.568 7.859 524 HG13 ILE 74 2HG1 ILE 74 19.161 8.288 7.713 525 HG21 ILE 74 1HG2 ILE 74 16.119 8.646 4.799 526 HG22 ILE 74 2HG2 ILE 74 15.620 9.064 6.437 527 HG23 ILE 74 3HG2 ILE 74 16.835 10.038 5.610 528 HD11 ILE 74 1HD1 ILE 74 18.791 10.573 5.791 529 HD12 ILE 74 2HD1 ILE 74 20.054 10.438 7.016 530 HD13 ILE 74 3HD1 ILE 74 20.006 9.300 5.670 531 H LYS 75 H LYS 75 14.537 6.529 7.801 532 HA LYS 75 HA LYS 75 13.961 4.897 5.441 533 HB2 LYS 75 1HB LYS 75 12.412 5.310 8.005 534 HB3 LYS 75 2HB LYS 75 11.892 4.274 6.682 535 HG2 LYS 75 1HG LYS 75 14.058 3.010 6.990 536 HG3 LYS 75 2HG LYS 75 14.267 3.922 8.487 537 HD2 LYS 75 1HD LYS 75 11.864 3.091 9.023 538 HD3 LYS 75 2HD LYS 75 12.195 1.877 7.784 539 HE2 LYS 75 1HE LYS 75 12.924 0.767 9.648 540 HE3 LYS 75 2HE LYS 75 14.418 1.563 9.155 541 HZ1 LYS 75 1HZ LYS 75 13.743 1.713 11.589 542 HZ2 LYS 75 2HZ LYS 75 12.570 2.822 11.086 543 HZ3 LYS 75 3HZ LYS 75 14.209 3.149 10.826 544 H VAL 76 H VAL 76 12.961 5.764 3.758 545 HA VAL 76 HA VAL 76 11.123 8.022 4.215 546 HB VAL 76 HB VAL 76 11.807 8.941 2.020 547 HG11 VAL 76 1HG1 VAL 76 13.033 9.235 4.440 548 HG12 VAL 76 2HG1 VAL 76 14.394 8.853 3.384 549 HG13 VAL 76 3HG1 VAL 76 13.350 10.226 3.016 550 HG21 VAL 76 1HG2 VAL 76 14.336 7.487 1.922 551 HG22 VAL 76 2HG2 VAL 76 12.929 6.476 1.595 552 HG23 VAL 76 3HG2 VAL 76 13.225 7.917 0.622 553 H ASP 77 H ASP 77 9.441 8.266 2.606 554 HA ASP 77 HA ASP 77 7.980 5.997 2.101 555 HB2 ASP 77 1HB ASP 77 6.903 7.434 0.229 556 HB3 ASP 77 2HB ASP 77 6.799 8.000 1.893 557 H TYR 78 H TYR 78 7.250 5.439 -0.293 558 HA TYR 78 HA TYR 78 9.562 4.230 -1.510 559 HB2 TYR 78 1HB TYR 78 7.845 3.308 -3.121 560 HB3 TYR 78 2HB TYR 78 7.595 2.885 -1.431 561 HD1 TYR 78 1HD TYR 78 6.327 4.825 -4.267 562 HD2 TYR 78 2HD TYR 78 5.716 3.789 -0.185 563 HE1 TYR 78 1HE TYR 78 4.039 5.719 -4.389 564 HE2 TYR 78 2HE TYR 78 3.426 4.679 -0.296 565 HH TYR 78 HH TYR 78 1.723 5.076 -2.754 566 H LYS 79 H LYS 79 7.085 6.562 -2.550 567 HA LYS 79 HA LYS 79 7.754 7.098 -5.102 568 HB2 LYS 79 1HB LYS 79 6.966 8.945 -2.874 569 HB3 LYS 79 2HB LYS 79 7.313 9.590 -4.472 570 HG2 LYS 79 1HG LYS 79 5.440 7.308 -4.336 571 HG3 LYS 79 2HG LYS 79 4.873 8.853 -3.699 572 HD2 LYS 79 1HD LYS 79 4.275 9.183 -5.858 573 HD3 LYS 79 2HD LYS 79 5.959 9.692 -6.007 574 HE2 LYS 79 1HE LYS 79 5.892 8.205 -7.725 575 HE3 LYS 79 2HE LYS 79 6.300 7.089 -6.423 576 HZ1 LYS 79 1HZ LYS 79 3.570 7.606 -7.474 577 HZ2 LYS 79 2HZ LYS 79 3.949 6.549 -6.208 578 HZ3 LYS 79 3HZ LYS 79 4.503 6.226 -7.774 579 H GLN 80 H GLN 80 9.658 7.893 -2.286 580 HA GLN 80 HA GLN 80 11.424 9.743 -3.432 581 HB2 GLN 80 1HB GLN 80 11.651 7.827 -1.130 582 HB3 GLN 80 2HB GLN 80 13.026 8.806 -1.623 583 HG2 GLN 80 1HG GLN 80 10.419 9.665 -0.450 584 HG3 GLN 80 2HG GLN 80 12.061 10.058 0.059 585 HE21 GLN 80 1HE2 GLN 80 9.408 10.929 -1.915 586 HE22 GLN 80 2HE2 GLN 80 10.093 12.359 -2.600 587 H ARG 81 H ARG 81 12.927 9.532 -4.946 588 HA ARG 81 HA ARG 81 13.759 6.830 -5.730 589 HB2 ARG 81 1HB ARG 81 12.768 8.682 -7.330 590 HB3 ARG 81 2HB ARG 81 14.429 9.260 -7.335 591 HG2 ARG 81 1HG ARG 81 14.894 6.688 -7.850 592 HG3 ARG 81 2HG ARG 81 13.264 6.813 -8.515 593 HD2 ARG 81 1HD ARG 81 15.303 8.881 -9.206 594 HD3 ARG 81 2HD ARG 81 15.349 7.314 -10.012 595 HE ARG 81 HE ARG 81 13.483 9.424 -10.469 596 HH11 ARG 81 2HH1 ARG 81 13.869 5.964 -10.492 597 HH12 ARG 81 1HH1 ARG 81 12.616 5.701 -11.658 598 HH21 ARG 81 2HH2 ARG 81 11.830 9.090 -12.005 599 HH22 ARG 81 1HH2 ARG 81 11.457 7.480 -12.519 600 H TYR 82 H TYR 82 14.937 9.836 -4.455 601 HA TYR 82 HA TYR 82 17.508 8.608 -3.914 602 HB2 TYR 82 1HB TYR 82 18.857 10.200 -5.009 603 HB3 TYR 82 2HB TYR 82 17.625 9.775 -6.192 604 HD1 TYR 82 2HD TYR 82 15.533 11.339 -6.262 605 HD2 TYR 82 1HD TYR 82 19.269 12.436 -4.546 606 HE1 TYR 82 2HE TYR 82 14.939 13.713 -6.502 607 HE2 TYR 82 1HE TYR 82 18.685 14.814 -4.781 608 HH TYR 82 HH TYR 82 15.527 15.812 -6.054 609 H TYR 83 H TYR 83 18.869 10.026 -2.507 610 HA TYR 83 HA TYR 83 17.337 12.013 -1.001 611 HB2 TYR 83 1HB TYR 83 17.080 9.787 0.119 612 HB3 TYR 83 2HB TYR 83 18.825 9.753 0.347 613 HD1 TYR 83 2HD TYR 83 19.903 11.380 1.871 614 HD2 TYR 83 1HD TYR 83 15.671 11.122 1.514 615 HE1 TYR 83 2HE TYR 83 19.656 12.627 3.976 616 HE2 TYR 83 1HE TYR 83 15.412 12.369 3.618 617 HH TYR 83 HH TYR 83 16.561 13.777 5.077 618 H THR 84 H THR 84 18.535 13.679 -0.235 619 HA THR 84 HA THR 84 21.371 13.690 -0.963 620 HB THR 84 HB THR 84 19.586 15.998 -0.165 621 HG1 THR 84 1HG THR 84 20.246 14.809 -2.619 622 HG21 THR 84 1HG2 THR 84 22.393 15.949 -1.282 623 HG22 THR 84 2HG2 THR 84 21.922 16.448 0.343 624 HG23 THR 84 3HG2 THR 84 21.413 17.397 -1.053 625 H ILE 85 H ILE 85 22.439 12.711 0.701 626 HA ILE 85 HA ILE 85 21.832 13.207 3.449 627 HB ILE 85 HB ILE 85 24.315 11.971 2.254 628 HG12 ILE 85 1HG1 ILE 85 21.803 10.660 3.316 629 HG13 ILE 85 2HG1 ILE 85 22.244 10.787 1.617 630 HG21 ILE 85 1HG2 ILE 85 24.148 12.867 4.742 631 HG22 ILE 85 2HG2 ILE 85 23.334 11.322 4.977 632 HG23 ILE 85 3HG2 ILE 85 24.980 11.363 4.346 633 HD11 ILE 85 1HD1 ILE 85 23.807 9.305 3.718 634 HD12 ILE 85 2HD1 ILE 85 22.725 8.577 2.529 635 HD13 ILE 85 3HD1 ILE 85 24.193 9.398 1.999 636 H GLU 86 H GLU 86 22.337 14.975 4.545 637 HA GLU 86 HA GLU 86 24.702 16.522 3.711 638 HB2 GLU 86 1HB GLU 86 22.132 17.438 5.008 639 HB3 GLU 86 2HB GLU 86 23.548 18.463 4.821 640 HG2 GLU 86 1HG GLU 86 23.404 18.077 2.359 641 HG3 GLU 86 2HG GLU 86 21.872 17.252 2.639 642 H ASN 87 H ASN 87 25.435 17.993 5.659 643 HA ASN 87 HA ASN 87 26.449 18.118 7.691 644 HB2 ASN 87 1HB ASN 87 24.667 15.958 8.767 645 HB3 ASN 87 2HB ASN 87 25.287 17.394 9.577 646 HD21 ASN 87 1HD2 ASN 87 22.698 16.019 7.915 647 HD22 ASN 87 2HD2 ASN 87 21.721 17.436 7.760 648 H LEU 88 H LEU 88 27.842 16.697 5.949 649 HA LEU 88 HA LEU 88 28.797 14.374 7.490 650 HB2 LEU 88 1HB LEU 88 28.895 14.699 4.496 651 HB3 LEU 88 2HB LEU 88 29.427 13.296 5.421 652 HG LEU 88 HG LEU 88 26.569 14.244 5.232 653 HD11 LEU 88 1HD1 LEU 88 26.376 13.159 3.311 654 HD12 LEU 88 2HD1 LEU 88 27.056 11.699 4.028 655 HD13 LEU 88 3HD1 LEU 88 28.121 12.904 3.305 656 HD21 LEU 88 1HD2 LEU 88 27.878 11.838 6.476 657 HD22 LEU 88 2HD2 LEU 88 26.154 11.917 6.115 658 HD23 LEU 88 3HD2 LEU 88 26.869 13.056 7.257 659 H ASP 89 H ASP 89 31.122 13.815 6.901 660 HA ASP 89 HA ASP 89 32.677 16.297 6.965 661 HB2 ASP 89 1HB ASP 89 33.063 14.775 8.821 662 HB3 ASP 89 2HB ASP 89 33.427 13.461 7.706 663 HA PRO 90 HA PRO 90 33.936 15.581 2.772 664 HB2 PRO 90 1HB PRO 90 35.807 17.547 2.670 665 HB3 PRO 90 2HB PRO 90 34.070 17.868 2.594 666 HG2 PRO 90 1HG PRO 90 35.934 18.072 4.928 667 HG3 PRO 90 2HG PRO 90 34.646 19.182 4.424 668 HD2 PRO 90 1HD PRO 90 34.323 17.391 6.429 669 HD3 PRO 90 2HD PRO 90 32.989 17.889 5.370 670 H SER 91 H SER 91 35.616 14.584 1.701 671 HA SER 91 HA SER 91 37.529 13.389 1.387 672 HB2 SER 91 1HB SER 91 38.611 15.513 2.218 673 HB3 SER 91 2HB SER 91 38.631 14.793 3.827 674 HG SER 91 HG SER 91 39.698 12.961 2.468 675 H SER 92 H SER 92 35.476 12.148 2.705 676 HA SER 92 HA SER 92 36.946 10.256 4.376 677 HB2 SER 92 1HB SER 92 35.611 12.061 5.738 678 HB3 SER 92 2HB SER 92 34.214 11.084 5.289 679 HG SER 92 HG SER 92 36.534 10.010 6.510 680 H HIS 93 H HIS 93 36.237 8.160 4.220 681 HA HIS 93 HA HIS 93 34.485 7.585 1.992 682 HB2 HIS 93 1HB HIS 93 36.366 6.188 2.028 683 HB3 HIS 93 2HB HIS 93 36.254 5.926 3.766 684 HD1 HIS 93 1HD HIS 93 35.907 3.475 3.975 685 HD2 HIS 93 2HD HIS 93 33.453 5.159 1.075 686 HE1 HIS 93 1HE HIS 93 34.391 1.618 3.216 687 HE2 HIS 93 2HE HIS 93 32.973 2.639 1.401 688 H TYR 94 H TYR 94 32.442 6.848 2.084 689 HA TYR 94 HA TYR 94 31.338 6.174 4.730 690 HB2 TYR 94 1HB TYR 94 30.319 8.074 2.661 691 HB3 TYR 94 2HB TYR 94 29.154 7.180 3.632 692 HD1 TYR 94 2HD TYR 94 31.804 9.721 3.696 693 HD2 TYR 94 1HD TYR 94 28.876 7.647 5.984 694 HE1 TYR 94 2HE TYR 94 32.065 11.363 5.508 695 HE2 TYR 94 1HE TYR 94 29.128 9.285 7.802 696 HH TYR 94 HH TYR 94 31.684 11.557 7.886 697 H VAL 95 H VAL 95 29.832 4.533 4.810 698 HA VAL 95 HA VAL 95 29.596 2.932 2.353 699 HB VAL 95 HB VAL 95 29.163 1.968 5.179 700 HG11 VAL 95 1HG1 VAL 95 29.539 0.550 2.546 701 HG12 VAL 95 2HG1 VAL 95 29.544 -0.254 4.117 702 HG13 VAL 95 3HG1 VAL 95 28.091 0.572 3.552 703 HG21 VAL 95 1HG2 VAL 95 31.617 2.628 3.855 704 HG22 VAL 95 2HG2 VAL 95 31.363 2.012 5.488 705 HG23 VAL 95 3HG2 VAL 95 31.541 0.889 4.140 706 H ILE 96 H ILE 96 27.735 3.452 1.369 707 HA ILE 96 HA ILE 96 25.333 3.942 2.952 708 HB ILE 96 HB ILE 96 25.946 4.280 0.023 709 HG12 ILE 96 1HG1 ILE 96 25.279 6.656 0.593 710 HG13 ILE 96 2HG1 ILE 96 25.262 6.165 2.283 711 HG21 ILE 96 1HG2 ILE 96 23.365 3.917 1.337 712 HG22 ILE 96 2HG2 ILE 96 23.473 5.398 0.386 713 HG23 ILE 96 3HG2 ILE 96 23.790 3.838 -0.373 714 HD11 ILE 96 1HD1 ILE 96 27.418 7.144 0.858 715 HD12 ILE 96 2HD1 ILE 96 27.462 6.367 2.441 716 HD13 ILE 96 3HD1 ILE 96 27.728 5.413 0.982 717 H THR 97 H THR 97 23.555 2.652 2.965 718 HA THR 97 HA THR 97 23.574 0.241 1.288 719 HB THR 97 HB THR 97 22.618 -0.985 3.343 720 HG1 THR 97 1HG THR 97 22.418 0.384 4.969 721 HG21 THR 97 1HG2 THR 97 25.141 -0.820 2.285 722 HG22 THR 97 2HG2 THR 97 24.630 -1.969 3.522 723 HG23 THR 97 3HG2 THR 97 25.426 -0.466 3.988 724 H LEU 98 H LEU 98 21.641 -0.274 0.437 725 HA LEU 98 HA LEU 98 19.257 1.084 1.506 726 HB2 LEU 98 1HB LEU 98 19.690 2.251 -0.465 727 HB3 LEU 98 2HB LEU 98 20.199 0.797 -1.322 728 HG LEU 98 HG LEU 98 17.674 0.119 -0.991 729 HD11 LEU 98 1HD1 LEU 98 17.059 2.024 0.374 730 HD12 LEU 98 2HD1 LEU 98 16.201 2.076 -1.165 731 HD13 LEU 98 3HD1 LEU 98 17.587 3.131 -0.892 732 HD21 LEU 98 1HD2 LEU 98 18.387 0.201 -3.170 733 HD22 LEU 98 2HD2 LEU 98 18.972 1.860 -3.033 734 HD23 LEU 98 3HD2 LEU 98 17.241 1.542 -3.151 735 H LYS 99 H LYS 99 17.390 -0.093 1.616 736 HA LYS 99 HA LYS 99 17.236 -2.717 0.387 737 HB2 LYS 99 1HB LYS 99 17.030 -3.981 2.359 738 HB3 LYS 99 2HB LYS 99 18.418 -2.940 2.646 739 HG2 LYS 99 1HG LYS 99 17.228 -1.567 4.120 740 HG3 LYS 99 2HG LYS 99 15.668 -2.187 3.574 741 HD2 LYS 99 1HD LYS 99 15.864 -3.354 5.524 742 HD3 LYS 99 2HD LYS 99 16.696 -4.473 4.441 743 HE2 LYS 99 1HE LYS 99 18.820 -3.753 5.170 744 HE3 LYS 99 2HE LYS 99 18.152 -2.326 5.960 745 HZ1 LYS 99 1HZ LYS 99 17.015 -4.722 6.996 746 HZ2 LYS 99 2HZ LYS 99 17.809 -3.472 7.813 747 HZ3 LYS 99 3HZ LYS 99 18.701 -4.741 7.137 748 H ALA 100 H ALA 100 15.162 -3.377 0.022 749 HA ALA 100 HA ALA 100 13.088 -1.404 0.459 750 HB1 ALA 100 1HB ALA 100 11.702 -3.064 -0.872 751 HB2 ALA 100 2HB ALA 100 13.079 -2.337 -1.701 752 HB3 ALA 100 3HB ALA 100 13.194 -3.983 -1.079 753 H PHE 101 H PHE 101 11.457 -1.521 1.888 754 HA PHE 101 HA PHE 101 10.987 -4.043 3.308 755 HB2 PHE 101 1HB PHE 101 11.123 -3.074 5.452 756 HB3 PHE 101 2HB PHE 101 12.535 -2.459 4.599 757 HD1 PHE 101 2HD PHE 101 12.613 -0.129 3.847 758 HD2 PHE 101 1HD PHE 101 9.356 -1.627 6.142 759 HE1 PHE 101 2HE PHE 101 11.919 2.175 4.360 760 HE2 PHE 101 1HE PHE 101 8.656 0.675 6.658 761 HZ PHE 101 HZ PHE 101 9.939 2.579 5.768 762 H ASN 102 H ASN 102 8.886 -4.419 3.873 763 HA ASN 102 HA ASN 102 6.940 -2.294 3.263 764 HB2 ASN 102 1HB ASN 102 5.420 -4.030 2.378 765 HB3 ASN 102 2HB ASN 102 6.914 -3.929 1.451 766 HD21 ASN 102 1HD2 ASN 102 5.461 -6.138 1.168 767 HD22 ASN 102 2HD2 ASN 102 6.197 -7.480 1.970 768 H ASN 103 H ASN 103 4.637 -3.328 4.062 769 HA ASN 103 HA ASN 103 4.622 -3.078 6.817 770 HB2 ASN 103 1HB ASN 103 2.595 -2.794 5.534 771 HB3 ASN 103 2HB ASN 103 2.639 -4.475 5.011 772 HD21 ASN 103 1HD2 ASN 103 2.460 -6.114 6.712 773 HD22 ASN 103 2HD2 ASN 103 1.454 -5.778 8.076 774 H VAL 104 H VAL 104 5.508 -5.776 4.916 775 HA VAL 104 HA VAL 104 5.072 -7.718 7.032 776 HB VAL 104 HB VAL 104 6.599 -8.240 4.496 777 HG11 VAL 104 1HG1 VAL 104 6.726 -10.061 5.973 778 HG12 VAL 104 2HG1 VAL 104 5.032 -9.907 6.444 779 HG13 VAL 104 3HG1 VAL 104 5.452 -10.492 4.833 780 HG21 VAL 104 1HG2 VAL 104 3.749 -7.608 4.806 781 HG22 VAL 104 2HG2 VAL 104 4.774 -7.554 3.373 782 HG23 VAL 104 3HG2 VAL 104 4.087 -9.088 3.908 783 H GLY 105 H GLY 105 7.844 -6.344 5.265 784 HA2 GLY 105 1HA GLY 105 9.522 -5.957 7.401 785 HA3 GLY 105 2HA GLY 105 9.776 -7.634 6.942 786 H GLU 106 H GLU 106 11.999 -6.760 6.598 787 HA GLU 106 HA GLU 106 12.240 -5.470 3.961 788 HB2 GLU 106 1HB GLU 106 14.565 -4.880 4.721 789 HB3 GLU 106 2HB GLU 106 13.269 -4.095 5.613 790 HG2 GLU 106 1HG GLU 106 14.908 -4.780 7.181 791 HG3 GLU 106 2HG GLU 106 13.516 -5.844 7.370 792 H GLY 107 H GLY 107 14.079 -6.159 2.626 793 HA2 GLY 107 1HA GLY 107 14.434 -9.069 2.839 794 HA3 GLY 107 2HA GLY 107 14.606 -8.122 1.369 795 H ILE 108 H ILE 108 16.635 -8.189 0.688 796 HA ILE 108 HA ILE 108 18.795 -8.187 2.684 797 HB ILE 108 HB ILE 108 20.106 -8.774 0.421 798 HG12 ILE 108 1HG1 ILE 108 17.800 -8.669 -0.755 799 HG13 ILE 108 2HG1 ILE 108 18.867 -10.020 -1.123 800 HG21 ILE 108 1HG2 ILE 108 18.603 -10.648 2.233 801 HG22 ILE 108 2HG2 ILE 108 19.804 -11.184 1.060 802 HG23 ILE 108 3HG2 ILE 108 20.277 -10.112 2.377 803 HD11 ILE 108 1HD1 ILE 108 16.306 -10.355 -0.584 804 HD12 ILE 108 2HD1 ILE 108 17.524 -11.535 -0.098 805 HD13 ILE 108 3HD1 ILE 108 16.909 -10.368 1.073 806 HA PRO 109 HA PRO 109 19.567 -3.990 1.402 807 HB2 PRO 109 1HB PRO 109 21.742 -3.615 2.982 808 HB3 PRO 109 2HB PRO 109 20.087 -3.579 3.602 809 HG2 PRO 109 1HG PRO 109 22.091 -5.802 3.679 810 HG3 PRO 109 2HG PRO 109 20.990 -5.244 4.952 811 HD2 PRO 109 1HD PRO 109 20.478 -7.429 3.438 812 HD3 PRO 109 2HD PRO 109 19.191 -6.382 4.069 813 H LEU 110 H LEU 110 21.478 -2.763 0.572 814 HA LEU 110 HA LEU 110 23.198 -4.542 -1.021 815 HB2 LEU 110 1HB LEU 110 22.232 -1.740 -1.556 816 HB3 LEU 110 2HB LEU 110 23.433 -2.573 -2.541 817 HG LEU 110 HG LEU 110 20.772 -3.855 -2.144 818 HD11 LEU 110 1HD1 LEU 110 20.251 -2.540 -4.381 819 HD12 LEU 110 2HD1 LEU 110 21.288 -1.334 -3.621 820 HD13 LEU 110 3HD1 LEU 110 19.831 -1.889 -2.797 821 HD21 LEU 110 1HD2 LEU 110 22.886 -3.788 -4.276 822 HD22 LEU 110 2HD2 LEU 110 21.273 -4.437 -4.574 823 HD23 LEU 110 3HD2 LEU 110 22.305 -5.167 -3.343 824 H TYR 111 H TYR 111 25.225 -3.119 -1.803 825 HA TYR 111 HA TYR 111 26.356 -1.714 0.508 826 HB2 TYR 111 1HB TYR 111 27.354 -4.229 -0.733 827 HB3 TYR 111 2HB TYR 111 28.550 -3.040 -0.231 828 HD1 TYR 111 2HD TYR 111 25.427 -4.569 1.158 829 HD2 TYR 111 1HD TYR 111 29.440 -3.347 1.867 830 HE1 TYR 111 2HE TYR 111 25.261 -5.388 3.471 831 HE2 TYR 111 1HE TYR 111 29.286 -4.164 4.182 832 HH TYR 111 HH TYR 111 27.974 -5.049 5.738 833 H GLU 112 H GLU 112 27.248 0.145 -0.080 834 HA GLU 112 HA GLU 112 28.455 0.381 -2.742 835 HB2 GLU 112 1HB GLU 112 26.183 1.959 -1.646 836 HB3 GLU 112 2HB GLU 112 27.390 2.823 -2.587 837 HG2 GLU 112 1HG GLU 112 25.618 0.567 -3.462 838 HG3 GLU 112 2HG GLU 112 25.693 2.211 -4.094 839 H SER 113 H SER 113 29.624 2.585 -2.905 840 HA SER 113 HA SER 113 30.743 3.420 -0.334 841 HB2 SER 113 1HB SER 113 32.993 3.048 -0.949 842 HB3 SER 113 2HB SER 113 32.155 1.573 -1.431 843 HG SER 113 HG SER 113 32.137 2.326 -3.554 844 H ALA 114 H ALA 114 31.371 5.535 -0.255 845 HA ALA 114 HA ALA 114 31.558 7.087 -2.710 846 HB1 ALA 114 1HB ALA 114 29.650 8.008 -0.581 847 HB2 ALA 114 2HB ALA 114 29.840 8.611 -2.228 848 HB3 ALA 114 3HB ALA 114 29.128 7.022 -1.948 849 H VAL 115 H VAL 115 33.447 8.081 -2.463 850 HA VAL 115 HA VAL 115 34.341 8.894 0.193 851 HB VAL 115 HB VAL 115 35.837 9.074 -2.425 852 HG11 VAL 115 1HG1 VAL 115 36.429 10.396 -0.186 853 HG12 VAL 115 2HG1 VAL 115 37.202 8.856 0.194 854 HG13 VAL 115 3HG1 VAL 115 37.666 9.742 -1.259 855 HG21 VAL 115 1HG2 VAL 115 35.828 6.831 -2.321 856 HG22 VAL 115 2HG2 VAL 115 37.007 7.049 -1.029 857 HG23 VAL 115 3HG2 VAL 115 35.304 6.812 -0.637 858 H THR 116 H THR 116 33.205 10.723 0.704 859 HA THR 116 HA THR 116 32.309 12.789 -0.757 860 HB THR 116 HB THR 116 33.081 14.309 1.216 861 HG1 THR 116 1HG THR 116 33.690 13.101 3.054 862 HG21 THR 116 1HG2 THR 116 31.370 13.130 2.725 863 HG22 THR 116 2HG2 THR 116 31.194 11.977 1.401 864 HG23 THR 116 3HG2 THR 116 30.822 13.682 1.142 865 H ARG 117 H ARG 117 33.087 14.845 -1.427 866 HA ARG 117 HA ARG 117 35.785 14.733 -2.469 867 HB2 ARG 117 1HB ARG 117 33.392 16.459 -2.912 868 HB3 ARG 117 2HB ARG 117 34.974 17.109 -3.322 869 HG2 ARG 117 1HG ARG 117 35.344 15.066 -4.727 870 HG3 ARG 117 2HG ARG 117 33.651 14.656 -4.446 871 HD2 ARG 117 1HD ARG 117 32.996 16.826 -5.416 872 HD3 ARG 117 2HD ARG 117 34.693 17.169 -5.749 873 HE ARG 117 HE ARG 117 32.954 15.397 -7.215 874 HH11 ARG 117 2HH1 ARG 117 36.247 16.250 -6.470 875 HH12 ARG 117 1HH1 ARG 117 36.893 15.546 -7.915 876 HH21 ARG 117 2HH2 ARG 117 33.794 14.466 -9.121 877 HH22 ARG 117 1HH2 ARG 117 35.497 14.532 -9.422 878 HA PRO 118 HA PRO 118 37.764 17.261 0.525 879 HB2 PRO 118 1HB PRO 118 39.553 18.602 -1.015 880 HB3 PRO 118 2HB PRO 118 39.718 16.886 -0.625 881 HG2 PRO 118 1HG PRO 118 38.655 18.170 -3.111 882 HG3 PRO 118 2HG PRO 118 39.741 16.778 -2.947 883 HD2 PRO 118 1HD PRO 118 37.094 16.508 -3.448 884 HD3 PRO 118 2HD PRO 118 38.012 15.321 -2.500 885 H HIS 119 H HIS 119 37.373 19.157 1.510 886 HA HIS 119 HA HIS 119 35.977 21.231 -0.023 887 HB2 HIS 119 1HB HIS 119 35.074 20.151 2.171 888 HB3 HIS 119 2HB HIS 119 36.219 21.225 2.969 889 HD1 HIS 119 1HD HIS 119 35.521 23.425 0.546 890 HD2 HIS 119 2HD HIS 119 33.032 21.737 3.413 891 HE1 HIS 119 1HE HIS 119 33.591 25.020 0.785 892 HE2 HIS 119 2HE HIS 119 32.142 24.021 2.586 893 H THR 120 H THR 120 38.785 20.668 1.999 894 HA THR 120 HA THR 120 39.570 23.473 1.855 895 HB THR 120 HB THR 120 40.880 21.126 3.240 896 HG1 THR 120 1HG THR 120 39.226 23.265 4.100 897 HG21 THR 120 1HG2 THR 120 42.493 22.574 4.115 898 HG22 THR 120 2HG2 THR 120 41.579 24.014 3.666 899 HG23 THR 120 3HG2 THR 120 42.382 23.056 2.423 900 H SER 121 H SER 121 41.409 20.453 1.406 901 HA SER 121 HA SER 121 43.417 21.537 -0.171 902 HB2 SER 121 1HB SER 121 43.147 19.159 0.927 903 HB3 SER 121 2HB SER 121 42.513 18.723 -0.659 904 HG SER 121 HG SER 121 44.535 18.532 -1.185 905 H GLY 122 H GLY 122 43.845 21.394 -2.438 906 HA2 GLY 122 1HA GLY 122 42.947 20.750 -4.657 907 HA3 GLY 122 2HA GLY 122 41.386 21.311 -4.077 908 HA PRO 123 HA PRO 123 44.262 25.156 -4.889 909 HB2 PRO 123 1HB PRO 123 46.250 24.693 -6.678 910 HB3 PRO 123 2HB PRO 123 46.468 24.517 -4.933 911 HG2 PRO 123 1HG PRO 123 45.953 22.413 -7.000 912 HG3 PRO 123 2HG PRO 123 47.087 22.388 -5.636 913 HD2 PRO 123 1HD PRO 123 44.687 21.135 -5.559 914 HD3 PRO 123 2HD PRO 123 45.442 21.842 -4.116 915 H SER 124 H SER 124 44.614 26.486 -6.942 916 HA SER 124 HA SER 124 42.357 26.428 -8.532 917 HB2 SER 124 1HB SER 124 45.074 27.604 -9.157 918 HB3 SER 124 2HB SER 124 43.601 27.959 -10.059 919 HG SER 124 HG SER 124 42.821 28.474 -7.746 920 H SER 125 H SER 125 41.710 24.881 -9.865 921 HA SER 125 HA SER 125 43.215 22.810 -10.894 922 HB2 SER 125 1HB SER 125 41.374 22.461 -12.500 923 HB3 SER 125 2HB SER 125 40.763 22.797 -10.880 924 HG SER 125 HG SER 125 39.935 23.988 -12.919 925 H GLY 126 H GLY 126 44.432 22.464 -12.688 926 HA2 GLY 126 1HA GLY 126 44.573 24.545 -14.740 927 HA3 GLY 126 2HA GLY 126 46.049 24.179 -13.859 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -7.674 -42.333 28.039 2 HA2 GLY 1 1HA GLY 1 -10.411 -42.004 28.476 3 HA3 GLY 1 2HA GLY 1 -9.606 -40.590 29.141 4 H SER 2 H SER 2 -10.904 -39.468 27.494 5 HA SER 2 HA SER 2 -9.328 -38.760 25.264 6 HB2 SER 2 1HB SER 2 -10.686 -39.595 23.436 7 HB3 SER 2 2HB SER 2 -10.172 -40.955 24.434 8 HG SER 2 HG SER 2 -12.558 -39.837 25.207 9 H SER 3 H SER 3 -10.427 -37.161 23.860 10 HA SER 3 HA SER 3 -12.935 -36.064 24.756 11 HB2 SER 3 1HB SER 3 -10.326 -34.803 25.492 12 HB3 SER 3 2HB SER 3 -11.680 -33.754 25.072 13 HG SER 3 HG SER 3 -12.025 -34.056 27.164 14 H GLY 4 H GLY 4 -13.370 -33.926 23.550 15 HA2 GLY 4 1HA GLY 4 -12.220 -34.152 20.835 16 HA3 GLY 4 2HA GLY 4 -13.914 -33.794 21.132 17 H SER 5 H SER 5 -11.328 -32.390 19.982 18 HA SER 5 HA SER 5 -11.941 -29.786 21.217 19 HB2 SER 5 1HB SER 5 -9.668 -30.689 21.824 20 HB3 SER 5 2HB SER 5 -9.243 -30.596 20.115 21 HG SER 5 HG SER 5 -10.319 -28.305 21.261 22 H SER 6 H SER 6 -13.193 -28.806 19.747 23 HA SER 6 HA SER 6 -12.144 -28.576 17.009 24 HB2 SER 6 1HB SER 6 -14.447 -28.676 16.136 25 HB3 SER 6 2HB SER 6 -14.015 -30.163 16.979 26 HG SER 6 HG SER 6 -16.140 -28.968 17.431 27 H GLY 7 H GLY 7 -11.431 -26.519 17.025 28 HA2 GLY 7 1HA GLY 7 -13.408 -24.438 17.713 29 HA3 GLY 7 2HA GLY 7 -11.740 -24.313 18.254 30 HA PRO 8 HA PRO 8 -12.368 -23.231 13.539 31 HB2 PRO 8 1HB PRO 8 -14.161 -21.197 13.410 32 HB3 PRO 8 2HB PRO 8 -14.619 -22.894 13.227 33 HG2 PRO 8 1HG PRO 8 -14.822 -21.126 15.634 34 HG3 PRO 8 2HG PRO 8 -15.999 -22.291 14.999 35 HD2 PRO 8 1HD PRO 8 -14.376 -22.854 17.092 36 HD3 PRO 8 2HD PRO 8 -14.912 -24.093 15.938 37 H ALA 9 H ALA 9 -11.691 -21.735 16.422 38 HA ALA 9 HA ALA 9 -10.783 -19.216 15.268 39 HB1 ALA 9 1HB ALA 9 -11.930 -19.512 17.568 40 HB2 ALA 9 2HB ALA 9 -10.332 -20.024 18.114 41 HB3 ALA 9 3HB ALA 9 -10.556 -18.414 17.431 42 H THR 10 H THR 10 -9.101 -19.940 13.926 43 HA THR 10 HA THR 10 -6.868 -21.362 15.142 44 HB THR 10 HB THR 10 -7.163 -20.391 12.294 45 HG1 THR 10 1HG THR 10 -8.118 -22.635 13.634 46 HG21 THR 10 1HG2 THR 10 -5.094 -21.144 11.951 47 HG22 THR 10 2HG2 THR 10 -5.502 -22.705 12.665 48 HG23 THR 10 3HG2 THR 10 -4.935 -21.387 13.690 49 H ASP 11 H ASP 11 -5.092 -20.401 15.884 50 HA ASP 11 HA ASP 11 -4.745 -17.779 16.406 51 HB2 ASP 11 1HB ASP 11 -3.232 -19.613 17.156 52 HB3 ASP 11 2HB ASP 11 -2.487 -19.605 15.560 53 H TRP 12 H TRP 12 -3.659 -19.390 13.430 54 HA TRP 12 HA TRP 12 -3.453 -16.728 12.181 55 HB2 TRP 12 1HB TRP 12 -1.666 -19.110 12.031 56 HB3 TRP 12 2HB TRP 12 -1.856 -18.131 10.579 57 HD1 TRP 12 HD TRP 12 -1.557 -16.873 14.233 58 HE1 TRP 12 1HE TRP 12 0.457 -15.275 14.359 59 HE3 TRP 12 3HE TRP 12 0.165 -17.359 9.444 60 HZ2 TRP 12 2HZ TRP 12 2.504 -14.344 12.653 61 HZ3 TRP 12 3HZ TRP 12 2.156 -16.080 8.771 62 HH2 TRP 12 HH TRP 12 3.299 -14.603 10.343 63 H LEU 13 H LEU 13 -5.520 -16.697 11.335 64 HA LEU 13 HA LEU 13 -6.946 -18.707 10.140 65 HB2 LEU 13 1HB LEU 13 -6.823 -15.760 9.667 66 HB3 LEU 13 2HB LEU 13 -7.829 -16.769 8.630 67 HG LEU 13 HG LEU 13 -8.849 -17.597 10.879 68 HD11 LEU 13 1HD1 LEU 13 -7.089 -15.451 11.735 69 HD12 LEU 13 2HD1 LEU 13 -7.920 -16.682 12.684 70 HD13 LEU 13 3HD1 LEU 13 -8.761 -15.199 12.235 71 HD21 LEU 13 1HD2 LEU 13 -9.671 -15.888 8.975 72 HD22 LEU 13 2HD2 LEU 13 -9.661 -14.806 10.368 73 HD23 LEU 13 3HD2 LEU 13 -10.624 -16.284 10.406 74 H SER 14 H SER 14 -7.272 -19.383 7.977 75 HA SER 14 HA SER 14 -4.818 -19.455 6.436 76 HB2 SER 14 1HB SER 14 -5.824 -21.212 5.186 77 HB3 SER 14 2HB SER 14 -6.321 -21.470 6.858 78 HG SER 14 HG SER 14 -8.249 -21.494 6.013 79 H ALA 15 H ALA 15 -5.922 -16.899 6.532 80 HA ALA 15 HA ALA 15 -7.193 -16.509 3.920 81 HB1 ALA 15 1HB ALA 15 -6.811 -14.070 5.382 82 HB2 ALA 15 2HB ALA 15 -8.311 -14.853 4.884 83 HB3 ALA 15 3HB ALA 15 -7.555 -15.289 6.417 84 H GLU 16 H GLU 16 -6.404 -14.817 2.500 85 HA GLU 16 HA GLU 16 -3.501 -14.380 2.760 86 HB2 GLU 16 1HB GLU 16 -5.149 -15.105 0.351 87 HB3 GLU 16 2HB GLU 16 -3.589 -14.312 0.181 88 HG2 GLU 16 1HG GLU 16 -2.779 -16.256 1.738 89 HG3 GLU 16 2HG GLU 16 -4.229 -17.056 1.133 90 H THR 17 H THR 17 -2.803 -12.550 1.174 91 HA THR 17 HA THR 17 -4.783 -10.387 1.138 92 HB THR 17 HB THR 17 -3.137 -8.779 2.009 93 HG1 THR 17 1HG THR 17 -1.174 -9.487 2.790 94 HG21 THR 17 1HG2 THR 17 -3.008 -9.775 4.385 95 HG22 THR 17 2HG2 THR 17 -3.900 -11.135 3.705 96 HG23 THR 17 3HG2 THR 17 -4.601 -9.517 3.674 97 H PHE 18 H PHE 18 -4.865 -9.518 -0.818 98 HA PHE 18 HA PHE 18 -2.535 -8.781 -2.282 99 HB2 PHE 18 1HB PHE 18 -2.591 -10.277 -4.088 100 HB3 PHE 18 2HB PHE 18 -2.808 -11.314 -2.682 101 HD1 PHE 18 1HD PHE 18 -5.429 -11.496 -1.987 102 HD2 PHE 18 2HD PHE 18 -3.898 -10.776 -5.892 103 HE1 PHE 18 1HE PHE 18 -7.505 -12.386 -2.961 104 HE2 PHE 18 2HE PHE 18 -5.972 -11.664 -6.873 105 HZ PHE 18 HZ PHE 18 -7.780 -12.469 -5.407 106 H GLU 19 H GLU 19 -3.072 -6.944 -3.243 107 HA GLU 19 HA GLU 19 -5.868 -6.574 -4.100 108 HB2 GLU 19 1HB GLU 19 -5.328 -5.072 -2.288 109 HB3 GLU 19 2HB GLU 19 -3.862 -4.547 -3.103 110 HG2 GLU 19 1HG GLU 19 -5.461 -2.832 -3.380 111 HG3 GLU 19 2HG GLU 19 -5.307 -3.647 -4.935 112 H SER 20 H SER 20 -6.287 -5.695 -6.102 113 HA SER 20 HA SER 20 -5.940 -5.509 -8.356 114 HB2 SER 20 1HB SER 20 -4.248 -3.783 -8.964 115 HB3 SER 20 2HB SER 20 -5.315 -3.268 -7.658 116 HG SER 20 HG SER 20 -3.665 -3.771 -6.188 117 H ASP 21 H ASP 21 -4.685 -7.804 -7.104 118 HA ASP 21 HA ASP 21 -3.365 -9.549 -7.739 119 HB2 ASP 21 1HB ASP 21 -4.126 -8.904 -10.042 120 HB3 ASP 21 2HB ASP 21 -2.680 -7.907 -10.183 121 H LEU 22 H LEU 22 -2.294 -7.984 -5.874 122 HA LEU 22 HA LEU 22 0.502 -7.580 -6.709 123 HB2 LEU 22 1HB LEU 22 -1.215 -6.194 -4.690 124 HB3 LEU 22 2HB LEU 22 0.538 -6.199 -4.508 125 HG LEU 22 HG LEU 22 -0.731 -4.220 -5.707 126 HD11 LEU 22 1HD1 LEU 22 1.818 -5.354 -6.844 127 HD12 LEU 22 2HD1 LEU 22 1.713 -4.476 -5.318 128 HD13 LEU 22 3HD1 LEU 22 1.307 -3.666 -6.831 129 HD21 LEU 22 1HD2 LEU 22 -0.087 -5.929 -8.086 130 HD22 LEU 22 2HD2 LEU 22 -1.016 -4.432 -8.014 131 HD23 LEU 22 3HD2 LEU 22 -1.696 -5.924 -7.364 132 H ASP 23 H ASP 23 2.164 -8.198 -5.225 133 HA ASP 23 HA ASP 23 1.373 -10.483 -3.562 134 HB2 ASP 23 1HB ASP 23 3.836 -9.775 -5.090 135 HB3 ASP 23 2HB ASP 23 4.012 -10.773 -3.649 136 H GLU 24 H GLU 24 1.183 -10.092 -1.465 137 HA GLU 24 HA GLU 24 3.135 -8.298 -0.189 138 HB2 GLU 24 1HB GLU 24 0.753 -7.345 -0.527 139 HB3 GLU 24 2HB GLU 24 0.284 -8.461 0.748 140 HG2 GLU 24 1HG GLU 24 2.086 -7.401 2.164 141 HG3 GLU 24 2HG GLU 24 2.200 -6.157 0.920 142 H THR 25 H THR 25 3.312 -11.110 -0.378 143 HA THR 25 HA THR 25 2.725 -11.960 2.381 144 HB THR 25 HB THR 25 2.945 -14.287 1.552 145 HG1 THR 25 1HG THR 25 4.252 -13.784 -0.301 146 HG21 THR 25 1HG2 THR 25 0.860 -12.392 0.775 147 HG22 THR 25 2HG2 THR 25 0.722 -13.984 1.521 148 HG23 THR 25 3HG2 THR 25 0.901 -13.841 -0.227 149 H ARG 26 H ARG 26 5.204 -11.293 0.107 150 HA ARG 26 HA ARG 26 7.210 -12.324 2.002 151 HB2 ARG 26 1HB ARG 26 8.694 -12.770 0.087 152 HB3 ARG 26 2HB ARG 26 7.214 -13.717 0.008 153 HG2 ARG 26 1HG ARG 26 6.298 -12.210 -1.648 154 HG3 ARG 26 2HG ARG 26 7.722 -11.176 -1.524 155 HD2 ARG 26 1HD ARG 26 7.980 -14.074 -2.239 156 HD3 ARG 26 2HD ARG 26 7.573 -12.874 -3.465 157 HE ARG 26 HE ARG 26 9.716 -12.007 -3.306 158 HH11 ARG 26 2HH1 ARG 26 9.188 -14.444 -0.877 159 HH12 ARG 26 1HH1 ARG 26 10.865 -14.580 -0.463 160 HH21 ARG 26 2HH2 ARG 26 11.927 -12.177 -2.770 161 HH22 ARG 26 1HH2 ARG 26 12.422 -13.290 -1.540 162 H VAL 27 H VAL 27 9.296 -11.184 1.914 163 HA VAL 27 HA VAL 27 8.868 -8.332 1.832 164 HB VAL 27 HB VAL 27 11.136 -8.145 2.718 165 HG11 VAL 27 1HG1 VAL 27 9.238 -8.640 4.229 166 HG12 VAL 27 2HG1 VAL 27 9.626 -10.357 4.105 167 HG13 VAL 27 3HG1 VAL 27 10.781 -9.241 4.835 168 HG21 VAL 27 1HG2 VAL 27 11.496 -11.068 2.949 169 HG22 VAL 27 2HG2 VAL 27 11.731 -10.374 1.345 170 HG23 VAL 27 3HG2 VAL 27 12.689 -9.792 2.706 171 HA PRO 28 HA PRO 28 10.485 -7.537 -2.181 172 HB2 PRO 28 1HB PRO 28 11.384 -5.001 -1.816 173 HB3 PRO 28 2HB PRO 28 9.666 -5.405 -1.930 174 HG2 PRO 28 1HG PRO 28 11.338 -4.908 0.504 175 HG3 PRO 28 2HG PRO 28 9.697 -4.343 0.139 176 HD2 PRO 28 1HD PRO 28 10.184 -6.456 1.762 177 HD3 PRO 28 2HD PRO 28 8.737 -6.352 0.737 178 H GLU 29 H GLU 29 12.244 -8.841 -2.521 179 HA GLU 29 HA GLU 29 14.670 -8.789 -1.160 180 HB2 GLU 29 1HB GLU 29 15.583 -10.054 -2.998 181 HB3 GLU 29 2HB GLU 29 13.934 -10.590 -2.705 182 HG2 GLU 29 1HG GLU 29 13.161 -9.760 -4.676 183 HG3 GLU 29 2HG GLU 29 14.358 -8.467 -4.731 184 H VAL 30 H VAL 30 16.816 -8.197 -2.173 185 HA VAL 30 HA VAL 30 17.322 -5.586 -2.264 186 HB VAL 30 HB VAL 30 19.136 -7.145 -2.454 187 HG11 VAL 30 1HG1 VAL 30 18.575 -8.925 -3.751 188 HG12 VAL 30 2HG1 VAL 30 17.741 -7.932 -4.948 189 HG13 VAL 30 3HG1 VAL 30 19.503 -8.016 -4.943 190 HG21 VAL 30 1HG2 VAL 30 20.373 -6.115 -4.462 191 HG22 VAL 30 2HG2 VAL 30 18.920 -5.139 -4.673 192 HG23 VAL 30 3HG2 VAL 30 19.838 -5.039 -3.171 193 HA PRO 31 HA PRO 31 15.166 -3.799 -5.676 194 HB2 PRO 31 1HB PRO 31 16.510 -1.443 -5.783 195 HB3 PRO 31 2HB PRO 31 15.322 -1.815 -4.529 196 HG2 PRO 31 1HG PRO 31 18.309 -1.966 -4.413 197 HG3 PRO 31 2HG PRO 31 17.173 -1.338 -3.205 198 HD2 PRO 31 1HD PRO 31 18.284 -3.800 -3.017 199 HD3 PRO 31 2HD PRO 31 16.653 -3.440 -2.416 200 H SER 32 H SER 32 15.652 -2.757 -7.807 201 HA SER 32 HA SER 32 17.164 -4.332 -9.447 202 HB2 SER 32 1HB SER 32 15.628 -2.855 -10.477 203 HB3 SER 32 2HB SER 32 16.359 -1.439 -9.722 204 HG SER 32 HG SER 32 18.051 -2.933 -11.312 205 H SER 33 H SER 33 18.183 -1.289 -7.925 206 HA SER 33 HA SER 33 20.855 -2.117 -7.592 207 HB2 SER 33 1HB SER 33 20.550 -1.612 -10.176 208 HB3 SER 33 2HB SER 33 20.757 0.056 -9.642 209 HG SER 33 HG SER 33 22.771 -0.406 -8.938 210 H LEU 34 H LEU 34 22.299 -0.095 -7.126 211 HA LEU 34 HA LEU 34 20.788 2.162 -6.089 212 HB2 LEU 34 1HB LEU 34 20.638 0.952 -4.138 213 HB3 LEU 34 2HB LEU 34 22.176 0.133 -4.405 214 HG LEU 34 HG LEU 34 23.236 2.438 -3.941 215 HD11 LEU 34 1HD1 LEU 34 20.408 2.956 -3.421 216 HD12 LEU 34 2HD1 LEU 34 21.733 4.079 -3.725 217 HD13 LEU 34 3HD1 LEU 34 21.480 3.432 -2.104 218 HD21 LEU 34 1HD2 LEU 34 22.132 1.655 -1.389 219 HD22 LEU 34 2HD2 LEU 34 23.783 1.514 -1.994 220 HD23 LEU 34 3HD2 LEU 34 22.604 0.250 -2.345 221 H HIS 35 H HIS 35 21.835 3.831 -6.938 222 HA HIS 35 HA HIS 35 24.760 3.718 -7.168 223 HB2 HIS 35 1HB HIS 35 23.847 4.205 -9.280 224 HB3 HIS 35 2HB HIS 35 22.647 5.305 -8.607 225 HD1 HIS 35 1HD HIS 35 23.165 7.642 -9.172 226 HD2 HIS 35 2HD HIS 35 26.620 5.395 -8.646 227 HE1 HIS 35 1HE HIS 35 25.070 9.236 -9.565 228 HE2 HIS 35 2HE HIS 35 27.149 7.834 -9.325 229 H VAL 36 H VAL 36 26.061 5.406 -6.420 230 HA VAL 36 HA VAL 36 24.764 7.399 -4.693 231 HB VAL 36 HB VAL 36 26.577 7.097 -3.018 232 HG11 VAL 36 1HG1 VAL 36 25.654 4.538 -2.580 233 HG12 VAL 36 2HG1 VAL 36 24.867 6.029 -2.057 234 HG13 VAL 36 3HG1 VAL 36 24.389 5.261 -3.572 235 HG21 VAL 36 1HG2 VAL 36 28.329 6.075 -4.181 236 HG22 VAL 36 2HG2 VAL 36 27.718 4.802 -3.124 237 HG23 VAL 36 3HG2 VAL 36 27.283 4.813 -4.833 238 H ARG 37 H ARG 37 25.810 9.370 -4.531 239 HA ARG 37 HA ARG 37 28.234 9.712 -6.162 240 HB2 ARG 37 1HB ARG 37 26.284 10.483 -7.443 241 HB3 ARG 37 2HB ARG 37 25.838 11.554 -6.122 242 HG2 ARG 37 1HG ARG 37 27.875 12.833 -6.437 243 HG3 ARG 37 2HG ARG 37 28.383 11.733 -7.720 244 HD2 ARG 37 1HD ARG 37 25.838 13.342 -7.795 245 HD3 ARG 37 2HD ARG 37 27.357 13.877 -8.512 246 HE ARG 37 HE ARG 37 26.433 11.280 -9.385 247 HH11 ARG 37 2HH1 ARG 37 26.449 14.712 -9.968 248 HH12 ARG 37 1HH1 ARG 37 26.064 14.560 -11.651 249 HH21 ARG 37 2HH2 ARG 37 25.926 11.066 -11.598 250 HH22 ARG 37 1HH2 ARG 37 25.766 12.485 -12.577 251 HA PRO 38 HA PRO 38 29.438 11.467 -2.206 252 HB2 PRO 38 1HB PRO 38 32.069 11.678 -2.839 253 HB3 PRO 38 2HB PRO 38 31.320 10.157 -2.341 254 HG2 PRO 38 1HG PRO 38 31.965 11.139 -5.094 255 HG3 PRO 38 2HG PRO 38 32.195 9.523 -4.401 256 HD2 PRO 38 1HD PRO 38 30.112 10.130 -6.021 257 HD3 PRO 38 2HD PRO 38 29.987 8.939 -4.711 258 H LEU 39 H LEU 39 29.241 13.550 -1.700 259 HA LEU 39 HA LEU 39 30.142 15.564 -3.654 260 HB2 LEU 39 1HB LEU 39 27.692 15.362 -1.994 261 HB3 LEU 39 2HB LEU 39 28.381 16.967 -2.234 262 HG LEU 39 HG LEU 39 28.294 16.300 -4.764 263 HD11 LEU 39 1HD1 LEU 39 27.623 13.965 -4.304 264 HD12 LEU 39 2HD1 LEU 39 26.477 14.826 -5.332 265 HD13 LEU 39 3HD1 LEU 39 26.108 14.564 -3.628 266 HD21 LEU 39 1HD2 LEU 39 26.117 17.330 -4.937 267 HD22 LEU 39 2HD2 LEU 39 27.047 18.129 -3.669 268 HD23 LEU 39 3HD2 LEU 39 25.781 16.978 -3.241 269 H VAL 40 H VAL 40 30.985 17.544 -2.804 270 HA VAL 40 HA VAL 40 33.010 17.510 -1.108 271 HB VAL 40 HB VAL 40 30.965 19.735 -1.105 272 HG11 VAL 40 1HG1 VAL 40 33.426 20.874 -0.724 273 HG12 VAL 40 2HG1 VAL 40 32.241 20.552 0.543 274 HG13 VAL 40 3HG1 VAL 40 33.539 19.399 0.234 275 HG21 VAL 40 1HG2 VAL 40 33.327 20.275 -2.627 276 HG22 VAL 40 2HG2 VAL 40 32.604 18.764 -3.179 277 HG23 VAL 40 3HG2 VAL 40 31.646 20.244 -3.158 278 H THR 41 H THR 41 29.988 18.801 0.247 279 HA THR 41 HA THR 41 30.630 17.408 2.765 280 HB THR 41 HB THR 41 29.403 19.222 3.932 281 HG1 THR 41 1HG THR 41 28.720 21.000 2.802 282 HG21 THR 41 1HG2 THR 41 31.901 19.627 2.402 283 HG22 THR 41 2HG2 THR 41 31.605 19.724 4.138 284 HG23 THR 41 3HG2 THR 41 31.165 21.073 3.091 285 H SER 42 H SER 42 28.983 16.498 0.463 286 HA SER 42 HA SER 42 26.668 15.683 2.012 287 HB2 SER 42 1HB SER 42 25.233 16.247 -0.119 288 HB3 SER 42 2HB SER 42 25.554 17.494 1.087 289 HG SER 42 HG SER 42 27.566 17.654 -0.513 290 H ILE 43 H ILE 43 25.209 14.298 0.339 291 HA ILE 43 HA ILE 43 26.786 12.813 -1.566 292 HB ILE 43 HB ILE 43 25.792 11.435 0.932 293 HG12 ILE 43 1HG1 ILE 43 28.595 11.869 -0.124 294 HG13 ILE 43 2HG1 ILE 43 27.887 12.663 1.278 295 HG21 ILE 43 1HG2 ILE 43 25.689 10.297 -1.440 296 HG22 ILE 43 2HG2 ILE 43 27.413 10.067 -1.153 297 HG23 ILE 43 3HG2 ILE 43 26.235 9.403 -0.022 298 HD11 ILE 43 1HD1 ILE 43 29.044 11.029 2.330 299 HD12 ILE 43 2HD1 ILE 43 27.542 10.149 2.043 300 HD13 ILE 43 3HD1 ILE 43 28.923 9.912 0.972 301 H VAL 44 H VAL 44 25.458 12.477 -3.210 302 HA VAL 44 HA VAL 44 22.580 12.467 -2.790 303 HB VAL 44 HB VAL 44 24.189 12.384 -5.346 304 HG11 VAL 44 1HG1 VAL 44 22.304 11.743 -6.336 305 HG12 VAL 44 2HG1 VAL 44 21.396 11.888 -4.830 306 HG13 VAL 44 3HG1 VAL 44 21.607 13.295 -5.873 307 HG21 VAL 44 1HG2 VAL 44 22.558 14.730 -4.875 308 HG22 VAL 44 2HG2 VAL 44 23.755 14.497 -3.601 309 HG23 VAL 44 3HG2 VAL 44 24.270 14.611 -5.283 310 H VAL 45 H VAL 45 21.789 10.563 -2.124 311 HA VAL 45 HA VAL 45 22.817 8.085 -3.300 312 HB VAL 45 HB VAL 45 20.923 8.479 -0.978 313 HG11 VAL 45 1HG1 VAL 45 21.741 6.126 -2.504 314 HG12 VAL 45 2HG1 VAL 45 21.975 5.962 -0.763 315 HG13 VAL 45 3HG1 VAL 45 20.379 6.350 -1.407 316 HG21 VAL 45 1HG2 VAL 45 23.780 7.541 -0.877 317 HG22 VAL 45 2HG2 VAL 45 23.325 9.234 -0.685 318 HG23 VAL 45 3HG2 VAL 45 22.742 8.029 0.463 319 H SER 46 H SER 46 21.861 7.713 -5.218 320 HA SER 46 HA SER 46 18.938 7.991 -5.395 321 HB2 SER 46 1HB SER 46 19.908 9.285 -7.114 322 HB3 SER 46 2HB SER 46 21.114 8.052 -7.479 323 HG SER 46 HG SER 46 18.320 7.758 -7.887 324 H TRP 47 H TRP 47 17.715 6.229 -5.513 325 HA TRP 47 HA TRP 47 18.982 3.690 -6.303 326 HB2 TRP 47 1HB TRP 47 17.642 2.523 -4.629 327 HB3 TRP 47 2HB TRP 47 18.632 3.762 -3.862 328 HD1 TRP 47 HD TRP 47 15.001 2.862 -4.602 329 HE1 TRP 47 1HE TRP 47 13.467 4.394 -3.215 330 HE3 TRP 47 3HE TRP 47 18.516 6.098 -2.784 331 HZ2 TRP 47 2HZ TRP 47 13.714 6.673 -1.568 332 HZ3 TRP 47 3HZ TRP 47 17.785 7.927 -1.310 333 HH2 TRP 47 HH TRP 47 15.433 8.208 -0.716 334 H THR 48 H THR 48 17.293 2.004 -6.888 335 HA THR 48 HA THR 48 14.989 3.250 -8.231 336 HB THR 48 HB THR 48 15.302 1.687 -10.132 337 HG1 THR 48 1HG THR 48 16.819 0.352 -8.645 338 HG21 THR 48 1HG2 THR 48 17.485 3.648 -9.473 339 HG22 THR 48 2HG2 THR 48 16.097 3.865 -10.539 340 HG23 THR 48 3HG2 THR 48 17.423 2.807 -11.021 341 HA PRO 49 HA PRO 49 12.547 0.076 -6.424 342 HB2 PRO 49 1HB PRO 49 10.593 -0.184 -8.290 343 HB3 PRO 49 2HB PRO 49 10.714 1.213 -7.214 344 HG2 PRO 49 1HG PRO 49 11.602 0.932 -10.059 345 HG3 PRO 49 2HG PRO 49 10.764 2.285 -9.277 346 HD2 PRO 49 1HD PRO 49 13.430 2.300 -9.751 347 HD3 PRO 49 2HD PRO 49 12.705 3.115 -8.351 348 HA PRO 50 HA PRO 50 13.714 -3.840 -8.064 349 HB2 PRO 50 1HB PRO 50 11.743 -5.407 -7.049 350 HB3 PRO 50 2HB PRO 50 13.042 -4.734 -6.057 351 HG2 PRO 50 1HG PRO 50 10.234 -3.761 -6.414 352 HG3 PRO 50 2HG PRO 50 11.192 -3.892 -4.928 353 HD2 PRO 50 1HD PRO 50 10.849 -1.547 -6.239 354 HD3 PRO 50 2HD PRO 50 12.331 -1.931 -5.341 355 H GLU 51 H GLU 51 13.521 -4.545 -10.088 356 HA GLU 51 HA GLU 51 11.733 -3.903 -11.979 357 HB2 GLU 51 1HB GLU 51 12.188 -6.201 -13.012 358 HB3 GLU 51 2HB GLU 51 13.578 -5.177 -12.678 359 HG2 GLU 51 1HG GLU 51 14.197 -6.449 -10.800 360 HG3 GLU 51 2HG GLU 51 12.646 -7.287 -10.760 361 H ASN 52 H ASN 52 11.291 -6.439 -9.571 362 HA ASN 52 HA ASN 52 8.784 -7.322 -10.663 363 HB2 ASN 52 1HB ASN 52 10.380 -8.759 -9.320 364 HB3 ASN 52 2HB ASN 52 9.859 -7.867 -7.893 365 HD21 ASN 52 1HD2 ASN 52 9.380 -10.596 -9.630 366 HD22 ASN 52 2HD2 ASN 52 7.770 -10.983 -9.135 367 H GLN 53 H GLN 53 7.559 -5.396 -10.756 368 HA GLN 53 HA GLN 53 7.078 -3.717 -8.543 369 HB2 GLN 53 1HB GLN 53 5.732 -4.177 -11.174 370 HB3 GLN 53 2HB GLN 53 4.915 -3.209 -9.954 371 HG2 GLN 53 1HG GLN 53 7.711 -2.641 -10.890 372 HG3 GLN 53 2HG GLN 53 6.278 -1.944 -11.645 373 HE21 GLN 53 1HE2 GLN 53 8.638 -1.422 -9.424 374 HE22 GLN 53 2HE2 GLN 53 7.863 -0.222 -8.453 375 H ASN 54 H ASN 54 5.488 -6.627 -9.714 376 HA ASN 54 HA ASN 54 3.107 -6.710 -8.477 377 HB2 ASN 54 1HB ASN 54 5.172 -8.920 -8.501 378 HB3 ASN 54 2HB ASN 54 3.475 -9.155 -8.095 379 HD21 ASN 54 1HD2 ASN 54 1.897 -8.803 -9.723 380 HD22 ASN 54 2HD2 ASN 54 2.313 -8.941 -11.394 381 H ILE 55 H ILE 55 6.229 -7.074 -6.876 382 HA ILE 55 HA ILE 55 5.191 -7.708 -4.313 383 HB ILE 55 HB ILE 55 7.854 -6.490 -5.055 384 HG12 ILE 55 1HG1 ILE 55 7.268 -9.359 -4.332 385 HG13 ILE 55 2HG1 ILE 55 7.219 -8.784 -5.996 386 HG21 ILE 55 1HG2 ILE 55 8.060 -6.146 -2.859 387 HG22 ILE 55 2HG2 ILE 55 6.628 -7.104 -2.490 388 HG23 ILE 55 3HG2 ILE 55 8.185 -7.899 -2.716 389 HD11 ILE 55 1HD1 ILE 55 9.408 -9.798 -4.730 390 HD12 ILE 55 2HD1 ILE 55 9.440 -8.781 -6.171 391 HD13 ILE 55 3HD1 ILE 55 9.662 -8.059 -4.577 392 H VAL 56 H VAL 56 4.292 -6.444 -2.826 393 HA VAL 56 HA VAL 56 3.812 -3.685 -3.316 394 HB VAL 56 HB VAL 56 3.381 -5.310 -0.805 395 HG11 VAL 56 1HG1 VAL 56 2.033 -2.713 -1.467 396 HG12 VAL 56 2HG1 VAL 56 2.130 -3.548 0.084 397 HG13 VAL 56 3HG1 VAL 56 3.559 -2.761 -0.586 398 HG21 VAL 56 1HG2 VAL 56 2.157 -5.940 -2.960 399 HG22 VAL 56 2HG2 VAL 56 1.176 -5.659 -1.522 400 HG23 VAL 56 3HG2 VAL 56 1.291 -4.416 -2.767 401 H VAL 57 H VAL 57 5.393 -2.225 -3.196 402 HA VAL 57 HA VAL 57 7.370 -2.448 -1.029 403 HB VAL 57 HB VAL 57 7.516 -0.824 -3.573 404 HG11 VAL 57 1HG1 VAL 57 9.938 -1.367 -1.987 405 HG12 VAL 57 2HG1 VAL 57 9.452 0.088 -2.859 406 HG13 VAL 57 3HG1 VAL 57 8.784 -0.249 -1.262 407 HG21 VAL 57 1HG2 VAL 57 9.051 -2.436 -4.397 408 HG22 VAL 57 2HG2 VAL 57 9.117 -3.268 -2.843 409 HG23 VAL 57 3HG2 VAL 57 7.646 -3.329 -3.814 410 H ARG 58 H ARG 58 6.673 -1.348 0.701 411 HA ARG 58 HA ARG 58 5.086 1.040 0.464 412 HB2 ARG 58 1HB ARG 58 6.376 -0.150 2.926 413 HB3 ARG 58 2HB ARG 58 5.096 1.055 2.894 414 HG2 ARG 58 1HG ARG 58 4.806 -1.721 1.773 415 HG3 ARG 58 2HG ARG 58 4.343 -1.263 3.414 416 HD2 ARG 58 1HD ARG 58 3.297 0.355 1.148 417 HD3 ARG 58 2HD ARG 58 2.608 -1.246 1.416 418 HE ARG 58 HE ARG 58 2.506 -0.135 3.870 419 HH11 ARG 58 2HH1 ARG 58 1.471 0.956 0.730 420 HH12 ARG 58 1HH1 ARG 58 0.159 1.904 1.348 421 HH21 ARG 58 2HH2 ARG 58 0.781 1.109 4.695 422 HH22 ARG 58 1HH2 ARG 58 -0.232 1.990 3.603 423 H GLY 59 H GLY 59 8.431 0.247 1.249 424 HA2 GLY 59 1HA GLY 59 9.411 2.756 0.417 425 HA3 GLY 59 2HA GLY 59 9.267 2.756 2.169 426 H TYR 60 H TYR 60 11.677 3.140 1.735 427 HA TYR 60 HA TYR 60 13.020 0.531 1.893 428 HB2 TYR 60 1HB TYR 60 14.304 2.883 0.522 429 HB3 TYR 60 2HB TYR 60 14.779 1.190 0.466 430 HD1 TYR 60 2HD TYR 60 12.283 3.641 -0.720 431 HD2 TYR 60 1HD TYR 60 13.831 -0.302 -1.129 432 HE1 TYR 60 2HE TYR 60 10.993 3.355 -2.794 433 HE2 TYR 60 1HE TYR 60 12.546 -0.597 -3.205 434 HH TYR 60 HH TYR 60 11.250 1.856 -4.929 435 H ALA 61 H ALA 61 15.378 0.906 2.695 436 HA ALA 61 HA ALA 61 15.407 3.008 4.752 437 HB1 ALA 61 1HB ALA 61 16.207 0.134 5.195 438 HB2 ALA 61 2HB ALA 61 16.322 1.440 6.375 439 HB3 ALA 61 3HB ALA 61 14.742 0.902 5.806 440 H ILE 62 H ILE 62 17.103 4.273 4.415 441 HA ILE 62 HA ILE 62 19.444 3.216 3.021 442 HB ILE 62 HB ILE 62 18.782 6.069 3.761 443 HG12 ILE 62 1HG1 ILE 62 18.702 4.861 1.004 444 HG13 ILE 62 2HG1 ILE 62 17.292 4.841 2.057 445 HG21 ILE 62 1HG2 ILE 62 21.236 5.008 3.153 446 HG22 ILE 62 2HG2 ILE 62 20.667 5.590 1.590 447 HG23 ILE 62 3HG2 ILE 62 20.771 6.697 2.958 448 HD11 ILE 62 1HD1 ILE 62 17.676 7.384 2.229 449 HD12 ILE 62 2HD1 ILE 62 18.663 7.166 0.783 450 HD13 ILE 62 3HD1 ILE 62 16.957 6.720 0.762 451 H GLY 63 H GLY 63 21.458 3.098 3.899 452 HA2 GLY 63 1HA GLY 63 21.759 3.995 6.695 453 HA3 GLY 63 2HA GLY 63 22.269 2.388 6.198 454 H TYR 64 H TYR 64 23.593 5.040 7.169 455 HA TYR 64 HA TYR 64 25.899 4.772 5.390 456 HB2 TYR 64 1HB TYR 64 26.168 7.161 5.139 457 HB3 TYR 64 2HB TYR 64 24.559 6.709 4.585 458 HD1 TYR 64 1HD TYR 64 22.618 7.021 6.249 459 HD2 TYR 64 2HD TYR 64 26.430 8.848 6.729 460 HE1 TYR 64 1HE TYR 64 21.624 8.682 7.767 461 HE2 TYR 64 2HE TYR 64 25.447 10.513 8.248 462 HH TYR 64 HH TYR 64 23.001 11.503 8.558 463 H GLY 65 H GLY 65 27.806 6.076 6.328 464 HA2 GLY 65 1HA GLY 65 28.315 7.068 8.699 465 HA3 GLY 65 2HA GLY 65 27.934 5.422 9.183 466 H ILE 66 H ILE 66 30.441 7.343 8.826 467 HA ILE 66 HA ILE 66 32.284 6.239 7.124 468 HB ILE 66 HB ILE 66 32.838 7.212 9.930 469 HG12 ILE 66 1HG1 ILE 66 33.146 8.813 7.403 470 HG13 ILE 66 2HG1 ILE 66 31.597 8.735 8.237 471 HG21 ILE 66 1HG2 ILE 66 34.564 5.925 8.237 472 HG22 ILE 66 2HG2 ILE 66 34.871 7.623 7.877 473 HG23 ILE 66 3HG2 ILE 66 35.031 7.029 9.530 474 HD11 ILE 66 1HD1 ILE 66 32.761 9.556 10.288 475 HD12 ILE 66 2HD1 ILE 66 34.193 9.816 9.292 476 HD13 ILE 66 3HD1 ILE 66 32.708 10.703 8.950 477 H GLY 67 H GLY 67 32.563 4.108 6.838 478 HA2 GLY 67 1HA GLY 67 33.821 2.181 7.521 479 HA3 GLY 67 2HA GLY 67 33.388 2.537 9.187 480 H SER 68 H SER 68 30.731 2.772 9.199 481 HA SER 68 HA SER 68 29.597 0.466 7.810 482 HB2 SER 68 1HB SER 68 29.799 0.762 10.802 483 HB3 SER 68 2HB SER 68 28.535 -0.219 10.059 484 HG SER 68 HG SER 68 31.076 -0.867 10.521 485 HA PRO 69 HA PRO 69 26.138 3.158 7.425 486 HB2 PRO 69 1HB PRO 69 24.214 1.315 6.903 487 HB3 PRO 69 2HB PRO 69 25.446 1.778 5.723 488 HG2 PRO 69 1HG PRO 69 25.350 -0.612 7.523 489 HG3 PRO 69 2HG PRO 69 25.814 -0.516 5.814 490 HD2 PRO 69 1HD PRO 69 27.636 -0.637 7.813 491 HD3 PRO 69 2HD PRO 69 27.934 0.246 6.302 492 H HIS 70 H HIS 70 25.724 0.263 9.443 493 HA HIS 70 HA HIS 70 23.450 0.680 10.795 494 HB2 HIS 70 1HB HIS 70 24.273 -0.656 12.477 495 HB3 HIS 70 2HB HIS 70 25.459 -0.987 11.218 496 HD1 HIS 70 1HD HIS 70 25.288 -0.188 14.671 497 HD2 HIS 70 2HD HIS 70 27.798 0.921 11.551 498 HE1 HIS 70 1HE HIS 70 27.385 0.664 15.766 499 HE2 HIS 70 2HE HIS 70 28.855 1.408 13.861 500 H ALA 71 H ALA 71 26.395 2.558 11.190 501 HA ALA 71 HA ALA 71 26.059 3.956 13.467 502 HB1 ALA 71 1HB ALA 71 27.225 4.565 10.860 503 HB2 ALA 71 2HB ALA 71 26.742 5.994 11.776 504 HB3 ALA 71 3HB ALA 71 27.866 4.832 12.481 505 H GLN 72 H GLN 72 24.450 4.767 10.395 506 HA GLN 72 HA GLN 72 22.266 5.970 11.919 507 HB2 GLN 72 1HB GLN 72 23.806 7.374 9.734 508 HB3 GLN 72 2HB GLN 72 22.239 7.913 10.323 509 HG2 GLN 72 1HG GLN 72 23.609 9.228 11.572 510 HG3 GLN 72 2HG GLN 72 23.451 7.842 12.650 511 HE21 GLN 72 1HE2 GLN 72 25.375 8.013 13.679 512 HE22 GLN 72 2HE2 GLN 72 26.907 7.830 12.902 513 H THR 73 H THR 73 20.283 6.104 10.774 514 HA THR 73 HA THR 73 20.175 4.809 8.154 515 HB THR 73 HB THR 73 18.509 3.885 10.503 516 HG1 THR 73 1HG THR 73 20.235 2.680 10.789 517 HG21 THR 73 1HG2 THR 73 17.998 3.780 7.720 518 HG22 THR 73 2HG2 THR 73 17.093 3.012 9.024 519 HG23 THR 73 3HG2 THR 73 18.415 2.148 8.240 520 H ILE 74 H ILE 74 18.840 5.855 6.830 521 HA ILE 74 HA ILE 74 16.779 7.595 8.021 522 HB ILE 74 HB ILE 74 18.300 8.016 5.446 523 HG12 ILE 74 1HG1 ILE 74 18.331 9.864 7.807 524 HG13 ILE 74 2HG1 ILE 74 19.382 8.452 7.790 525 HG21 ILE 74 1HG2 ILE 74 17.074 10.025 5.151 526 HG22 ILE 74 2HG2 ILE 74 15.894 8.751 5.459 527 HG23 ILE 74 3HG2 ILE 74 16.327 9.881 6.742 528 HD11 ILE 74 1HD1 ILE 74 20.368 10.637 6.978 529 HD12 ILE 74 2HD1 ILE 74 20.573 9.234 5.928 530 HD13 ILE 74 3HD1 ILE 74 19.349 10.446 5.551 531 H LYS 75 H LYS 75 14.776 6.957 7.629 532 HA LYS 75 HA LYS 75 14.257 5.231 5.311 533 HB2 LYS 75 1HB LYS 75 12.974 5.565 7.986 534 HB3 LYS 75 2HB LYS 75 11.977 5.018 6.644 535 HG2 LYS 75 1HG LYS 75 13.759 3.232 6.271 536 HG3 LYS 75 2HG LYS 75 14.362 3.676 7.869 537 HD2 LYS 75 1HD LYS 75 11.836 3.369 8.543 538 HD3 LYS 75 2HD LYS 75 11.802 2.356 7.098 539 HE2 LYS 75 1HE LYS 75 13.672 1.042 7.993 540 HE3 LYS 75 2HE LYS 75 13.678 2.046 9.442 541 HZ1 LYS 75 1HZ LYS 75 11.097 0.943 8.857 542 HZ2 LYS 75 2HZ LYS 75 11.981 0.916 10.300 543 HZ3 LYS 75 3HZ LYS 75 12.269 -0.251 9.109 544 H VAL 76 H VAL 76 12.987 5.868 3.673 545 HA VAL 76 HA VAL 76 11.321 8.260 4.011 546 HB VAL 76 HB VAL 76 12.036 9.113 1.809 547 HG11 VAL 76 1HG1 VAL 76 14.227 8.757 3.850 548 HG12 VAL 76 2HG1 VAL 76 14.276 9.914 2.518 549 HG13 VAL 76 3HG1 VAL 76 13.047 10.065 3.774 550 HG21 VAL 76 1HG2 VAL 76 13.042 7.676 0.432 551 HG22 VAL 76 2HG2 VAL 76 14.506 7.941 1.379 552 HG23 VAL 76 3HG2 VAL 76 13.450 6.579 1.752 553 H ASP 77 H ASP 77 9.543 8.403 2.597 554 HA ASP 77 HA ASP 77 8.217 6.046 2.017 555 HB2 ASP 77 1HB ASP 77 6.705 7.433 0.619 556 HB3 ASP 77 2HB ASP 77 7.036 8.158 2.190 557 H TYR 78 H TYR 78 7.523 5.217 -0.111 558 HA TYR 78 HA TYR 78 9.702 4.439 -1.676 559 HB2 TYR 78 1HB TYR 78 8.032 3.525 -3.235 560 HB3 TYR 78 2HB TYR 78 7.632 3.141 -1.564 561 HD1 TYR 78 2HD TYR 78 5.724 4.211 -0.465 562 HD2 TYR 78 1HD TYR 78 6.638 4.997 -4.545 563 HE1 TYR 78 2HE TYR 78 3.485 5.180 -0.774 564 HE2 TYR 78 1HE TYR 78 4.402 5.969 -4.865 565 HH TYR 78 HH TYR 78 2.214 5.921 -3.874 566 H LYS 79 H LYS 79 7.214 6.896 -2.278 567 HA LYS 79 HA LYS 79 7.706 7.702 -4.805 568 HB2 LYS 79 1HB LYS 79 7.147 9.317 -2.334 569 HB3 LYS 79 2HB LYS 79 7.349 10.106 -3.893 570 HG2 LYS 79 1HG LYS 79 5.430 9.147 -4.772 571 HG3 LYS 79 2HG LYS 79 5.408 7.853 -3.572 572 HD2 LYS 79 1HD LYS 79 5.062 10.724 -2.770 573 HD3 LYS 79 2HD LYS 79 3.697 9.763 -3.342 574 HE2 LYS 79 1HE LYS 79 4.168 8.101 -1.583 575 HE3 LYS 79 2HE LYS 79 5.480 9.121 -0.994 576 HZ1 LYS 79 1HZ LYS 79 2.636 9.961 -1.140 577 HZ2 LYS 79 2HZ LYS 79 3.913 10.836 -0.458 578 HZ3 LYS 79 3HZ LYS 79 3.397 9.394 0.261 579 H GLN 80 H GLN 80 9.660 8.578 -1.978 580 HA GLN 80 HA GLN 80 11.434 10.329 -3.198 581 HB2 GLN 80 1HB GLN 80 11.717 8.447 -0.873 582 HB3 GLN 80 2HB GLN 80 13.069 9.438 -1.404 583 HG2 GLN 80 1HG GLN 80 10.396 10.398 -0.416 584 HG3 GLN 80 2HG GLN 80 11.950 10.534 0.405 585 HE21 GLN 80 1HE2 GLN 80 10.017 11.667 -2.275 586 HE22 GLN 80 2HE2 GLN 80 10.910 13.119 -2.558 587 H ARG 81 H ARG 81 12.661 10.016 -4.925 588 HA ARG 81 HA ARG 81 13.467 7.348 -5.712 589 HB2 ARG 81 1HB ARG 81 12.701 9.408 -7.199 590 HB3 ARG 81 2HB ARG 81 14.419 9.781 -7.149 591 HG2 ARG 81 1HG ARG 81 14.603 7.221 -7.823 592 HG3 ARG 81 2HG ARG 81 12.997 7.550 -8.476 593 HD2 ARG 81 1HD ARG 81 15.173 9.488 -9.059 594 HD3 ARG 81 2HD ARG 81 15.198 7.938 -9.899 595 HE ARG 81 HE ARG 81 12.628 8.934 -10.152 596 HH11 ARG 81 2HH1 ARG 81 15.850 9.871 -11.078 597 HH12 ARG 81 1HH1 ARG 81 15.335 10.723 -12.496 598 HH21 ARG 81 2HH2 ARG 81 11.938 10.052 -12.016 599 HH22 ARG 81 1HH2 ARG 81 13.109 10.826 -13.028 600 H TYR 82 H TYR 82 14.953 10.297 -4.497 601 HA TYR 82 HA TYR 82 17.352 8.770 -3.838 602 HB2 TYR 82 1HB TYR 82 18.872 10.294 -4.841 603 HB3 TYR 82 2HB TYR 82 17.675 9.924 -6.077 604 HD1 TYR 82 2HD TYR 82 15.569 11.612 -6.006 605 HD2 TYR 82 1HD TYR 82 19.500 12.499 -4.641 606 HE1 TYR 82 2HE TYR 82 15.123 14.013 -6.299 607 HE2 TYR 82 1HE TYR 82 19.065 14.902 -4.928 608 HH TYR 82 HH TYR 82 16.849 16.382 -4.938 609 H TYR 83 H TYR 83 18.842 10.095 -2.423 610 HA TYR 83 HA TYR 83 17.441 12.145 -0.876 611 HB2 TYR 83 1HB TYR 83 17.093 9.847 0.159 612 HB3 TYR 83 2HB TYR 83 18.821 9.835 0.490 613 HD1 TYR 83 1HD TYR 83 15.602 11.359 1.358 614 HD2 TYR 83 2HD TYR 83 19.771 11.265 2.199 615 HE1 TYR 83 1HE TYR 83 15.202 12.593 3.448 616 HE2 TYR 83 2HE TYR 83 19.383 12.497 4.292 617 HH TYR 83 HH TYR 83 17.247 14.240 5.031 618 H THR 84 H THR 84 18.742 13.734 -0.139 619 HA THR 84 HA THR 84 21.605 13.492 -0.748 620 HB THR 84 HB THR 84 19.956 15.984 -0.278 621 HG1 THR 84 1HG THR 84 20.676 16.135 -2.659 622 HG21 THR 84 1HG2 THR 84 22.847 15.573 -1.026 623 HG22 THR 84 2HG2 THR 84 22.199 16.450 0.360 624 HG23 THR 84 3HG2 THR 84 21.996 17.099 -1.267 625 H ILE 85 H ILE 85 22.756 12.867 0.964 626 HA ILE 85 HA ILE 85 21.947 13.601 3.653 627 HB ILE 85 HB ILE 85 24.367 12.016 2.790 628 HG12 ILE 85 1HG1 ILE 85 21.743 10.921 3.804 629 HG13 ILE 85 2HG1 ILE 85 22.106 11.080 2.089 630 HG21 ILE 85 1HG2 ILE 85 22.997 12.370 5.448 631 HG22 ILE 85 2HG2 ILE 85 24.221 11.144 5.125 632 HG23 ILE 85 3HG2 ILE 85 24.635 12.854 5.011 633 HD11 ILE 85 1HD1 ILE 85 23.726 9.467 4.045 634 HD12 ILE 85 2HD1 ILE 85 22.499 8.815 2.958 635 HD13 ILE 85 3HD1 ILE 85 23.956 9.556 2.299 636 H GLU 86 H GLU 86 22.467 15.575 4.337 637 HA GLU 86 HA GLU 86 25.007 16.766 3.489 638 HB2 GLU 86 1HB GLU 86 22.496 17.923 4.682 639 HB3 GLU 86 2HB GLU 86 23.991 18.843 4.592 640 HG2 GLU 86 1HG GLU 86 23.997 18.469 2.133 641 HG3 GLU 86 2HG GLU 86 22.408 17.722 2.293 642 H ASN 87 H ASN 87 25.712 18.432 5.404 643 HA ASN 87 HA ASN 87 26.780 18.626 7.403 644 HB2 ASN 87 1HB ASN 87 24.693 16.621 8.290 645 HB3 ASN 87 2HB ASN 87 25.762 17.506 9.375 646 HD21 ASN 87 1HD2 ASN 87 23.263 17.908 6.924 647 HD22 ASN 87 2HD2 ASN 87 22.639 19.394 7.546 648 H LEU 88 H LEU 88 28.000 17.001 5.576 649 HA LEU 88 HA LEU 88 29.072 14.812 7.234 650 HB2 LEU 88 1HB LEU 88 28.874 15.006 4.233 651 HB3 LEU 88 2HB LEU 88 29.709 13.720 5.101 652 HG LEU 88 HG LEU 88 26.755 14.288 5.321 653 HD11 LEU 88 1HD1 LEU 88 26.441 12.321 3.927 654 HD12 LEU 88 2HD1 LEU 88 28.187 12.159 3.738 655 HD13 LEU 88 3HD1 LEU 88 27.353 13.559 3.064 656 HD21 LEU 88 1HD2 LEU 88 27.801 11.648 6.011 657 HD22 LEU 88 2HD2 LEU 88 26.645 12.671 6.864 658 HD23 LEU 88 3HD2 LEU 88 28.377 12.942 7.061 659 H ASP 89 H ASP 89 31.343 14.359 7.016 660 HA ASP 89 HA ASP 89 32.892 16.796 6.654 661 HB2 ASP 89 1HB ASP 89 33.508 14.103 7.861 662 HB3 ASP 89 2HB ASP 89 34.762 15.309 7.580 663 HA PRO 90 HA PRO 90 34.209 15.587 2.600 664 HB2 PRO 90 1HB PRO 90 36.132 17.480 2.306 665 HB3 PRO 90 2HB PRO 90 34.406 17.835 2.172 666 HG2 PRO 90 1HG PRO 90 36.250 18.249 4.494 667 HG3 PRO 90 2HG PRO 90 34.998 19.329 3.853 668 HD2 PRO 90 1HD PRO 90 34.607 17.780 6.039 669 HD3 PRO 90 2HD PRO 90 33.297 18.192 4.914 670 H SER 91 H SER 91 35.915 14.495 1.636 671 HA SER 91 HA SER 91 37.825 13.263 1.471 672 HB2 SER 91 1HB SER 91 38.915 15.403 2.255 673 HB3 SER 91 2HB SER 91 38.838 14.760 3.896 674 HG SER 91 HG SER 91 39.921 13.026 2.063 675 H SER 92 H SER 92 35.797 11.972 2.564 676 HA SER 92 HA SER 92 37.094 10.208 4.475 677 HB2 SER 92 1HB SER 92 34.633 11.814 5.089 678 HB3 SER 92 2HB SER 92 34.854 10.224 5.818 679 HG SER 92 HG SER 92 35.759 11.693 7.200 680 H HIS 93 H HIS 93 36.055 8.140 4.660 681 HA HIS 93 HA HIS 93 34.613 7.433 2.223 682 HB2 HIS 93 1HB HIS 93 36.609 6.123 2.830 683 HB3 HIS 93 2HB HIS 93 35.842 5.661 4.346 684 HD1 HIS 93 1HD HIS 93 35.958 3.157 3.693 685 HD2 HIS 93 2HD HIS 93 33.700 5.494 1.104 686 HE1 HIS 93 1HE HIS 93 34.670 1.532 2.270 687 HE2 HIS 93 2HE HIS 93 33.377 2.967 0.654 688 H TYR 94 H TYR 94 32.515 6.940 2.179 689 HA TYR 94 HA TYR 94 31.156 6.386 4.734 690 HB2 TYR 94 1HB TYR 94 30.360 8.245 2.511 691 HB3 TYR 94 2HB TYR 94 29.145 7.544 3.574 692 HD1 TYR 94 1HD TYR 94 29.157 8.085 5.992 693 HD2 TYR 94 2HD TYR 94 31.795 10.003 3.259 694 HE1 TYR 94 1HE TYR 94 29.582 9.851 7.650 695 HE2 TYR 94 2HE TYR 94 32.228 11.773 4.910 696 HH TYR 94 HH TYR 94 30.363 12.405 7.459 697 H VAL 95 H VAL 95 30.092 4.525 4.770 698 HA VAL 95 HA VAL 95 29.702 3.064 2.273 699 HB VAL 95 HB VAL 95 29.407 2.174 5.145 700 HG11 VAL 95 1HG1 VAL 95 28.951 0.748 2.548 701 HG12 VAL 95 2HG1 VAL 95 29.414 -0.132 4.006 702 HG13 VAL 95 3HG1 VAL 95 27.921 0.807 3.978 703 HG21 VAL 95 1HG2 VAL 95 31.601 2.062 3.145 704 HG22 VAL 95 2HG2 VAL 95 31.674 2.296 4.891 705 HG23 VAL 95 3HG2 VAL 95 31.397 0.685 4.228 706 H ILE 96 H ILE 96 27.873 3.671 1.267 707 HA ILE 96 HA ILE 96 25.446 4.149 2.810 708 HB ILE 96 HB ILE 96 25.980 4.443 -0.148 709 HG12 ILE 96 1HG1 ILE 96 25.568 6.924 0.572 710 HG13 ILE 96 2HG1 ILE 96 25.981 6.337 2.179 711 HG21 ILE 96 1HG2 ILE 96 23.762 4.365 -0.361 712 HG22 ILE 96 2HG2 ILE 96 23.514 4.421 1.384 713 HG23 ILE 96 3HG2 ILE 96 23.733 5.917 0.476 714 HD11 ILE 96 1HD1 ILE 96 27.780 5.826 -0.153 715 HD12 ILE 96 2HD1 ILE 96 27.830 7.353 0.729 716 HD13 ILE 96 3HD1 ILE 96 28.162 5.838 1.568 717 H THR 97 H THR 97 23.710 2.833 2.847 718 HA THR 97 HA THR 97 23.743 0.450 1.118 719 HB THR 97 HB THR 97 22.814 -0.876 2.992 720 HG1 THR 97 1HG THR 97 23.490 1.406 4.565 721 HG21 THR 97 1HG2 THR 97 25.335 -0.596 2.446 722 HG22 THR 97 2HG2 THR 97 24.870 -1.364 3.964 723 HG23 THR 97 3HG2 THR 97 25.388 0.322 3.951 724 H LEU 98 H LEU 98 21.600 -0.604 0.934 725 HA LEU 98 HA LEU 98 19.293 1.045 1.549 726 HB2 LEU 98 1HB LEU 98 19.942 2.008 -0.538 727 HB3 LEU 98 2HB LEU 98 20.155 0.417 -1.266 728 HG LEU 98 HG LEU 98 17.585 0.196 -0.752 729 HD11 LEU 98 1HD1 LEU 98 16.715 2.035 0.154 730 HD12 LEU 98 2HD1 LEU 98 16.902 2.775 -1.435 731 HD13 LEU 98 3HD1 LEU 98 18.150 2.994 -0.209 732 HD21 LEU 98 1HD2 LEU 98 17.115 1.031 -2.994 733 HD22 LEU 98 2HD2 LEU 98 18.615 0.104 -2.967 734 HD23 LEU 98 3HD2 LEU 98 18.669 1.866 -3.018 735 H LYS 99 H LYS 99 17.569 -0.176 2.008 736 HA LYS 99 HA LYS 99 17.420 -2.900 0.931 737 HB2 LYS 99 1HB LYS 99 16.876 -3.828 3.104 738 HB3 LYS 99 2HB LYS 99 18.440 -3.026 3.181 739 HG2 LYS 99 1HG LYS 99 17.476 -1.133 4.300 740 HG3 LYS 99 2HG LYS 99 15.852 -1.792 4.098 741 HD2 LYS 99 1HD LYS 99 16.264 -2.468 6.239 742 HD3 LYS 99 2HD LYS 99 16.931 -3.852 5.370 743 HE2 LYS 99 1HE LYS 99 18.569 -3.295 6.950 744 HE3 LYS 99 2HE LYS 99 19.155 -2.602 5.439 745 HZ1 LYS 99 1HZ LYS 99 19.001 -0.541 6.244 746 HZ2 LYS 99 2HZ LYS 99 18.926 -1.266 7.770 747 HZ3 LYS 99 3HZ LYS 99 17.501 -0.816 6.977 748 H ALA 100 H ALA 100 15.441 -3.441 0.248 749 HA ALA 100 HA ALA 100 13.317 -1.507 0.430 750 HB1 ALA 100 1HB ALA 100 13.283 -4.260 -0.802 751 HB2 ALA 100 2HB ALA 100 12.100 -2.976 -1.058 752 HB3 ALA 100 3HB ALA 100 13.755 -2.779 -1.635 753 H PHE 101 H PHE 101 11.442 -1.633 1.574 754 HA PHE 101 HA PHE 101 10.986 -4.010 3.233 755 HB2 PHE 101 1HB PHE 101 10.720 -2.783 5.222 756 HB3 PHE 101 2HB PHE 101 12.164 -2.097 4.483 757 HD1 PHE 101 1HD PHE 101 8.496 -1.573 4.778 758 HD2 PHE 101 2HD PHE 101 12.318 0.188 4.137 759 HE1 PHE 101 1HE PHE 101 7.479 0.665 4.884 760 HE2 PHE 101 2HE PHE 101 11.307 2.429 4.242 761 HZ PHE 101 HZ PHE 101 8.884 2.669 4.617 762 H ASN 102 H ASN 102 8.773 -4.033 4.187 763 HA ASN 102 HA ASN 102 6.743 -2.341 3.136 764 HB2 ASN 102 1HB ASN 102 5.622 -3.887 1.660 765 HB3 ASN 102 2HB ASN 102 7.286 -3.703 1.113 766 HD21 ASN 102 1HD2 ASN 102 5.822 -5.832 0.293 767 HD22 ASN 102 2HD2 ASN 102 6.414 -7.280 1.027 768 H ASN 103 H ASN 103 4.494 -3.567 3.463 769 HA ASN 103 HA ASN 103 4.070 -3.883 6.142 770 HB2 ASN 103 1HB ASN 103 2.237 -3.627 4.559 771 HB3 ASN 103 2HB ASN 103 2.565 -5.220 3.882 772 HD21 ASN 103 1HD2 ASN 103 1.052 -3.446 6.384 773 HD22 ASN 103 2HD2 ASN 103 0.329 -4.784 7.204 774 H VAL 104 H VAL 104 5.098 -6.323 3.835 775 HA VAL 104 HA VAL 104 4.780 -8.562 5.552 776 HB VAL 104 HB VAL 104 6.684 -8.291 3.223 777 HG11 VAL 104 1HG1 VAL 104 7.316 -10.332 3.851 778 HG12 VAL 104 2HG1 VAL 104 6.014 -10.450 5.037 779 HG13 VAL 104 3HG1 VAL 104 5.717 -10.882 3.352 780 HG21 VAL 104 1HG2 VAL 104 4.254 -7.732 2.754 781 HG22 VAL 104 2HG2 VAL 104 4.964 -9.020 1.781 782 HG23 VAL 104 3HG2 VAL 104 3.897 -9.418 3.128 783 H GLY 105 H GLY 105 7.619 -6.603 4.661 784 HA2 GLY 105 1HA GLY 105 8.812 -6.463 7.119 785 HA3 GLY 105 2HA GLY 105 9.353 -8.003 6.469 786 H GLU 106 H GLU 106 11.509 -7.305 6.398 787 HA GLU 106 HA GLU 106 12.070 -5.287 4.324 788 HB2 GLU 106 1HB GLU 106 13.788 -6.043 6.695 789 HB3 GLU 106 2HB GLU 106 14.188 -4.840 5.477 790 HG2 GLU 106 1HG GLU 106 12.394 -3.429 6.185 791 HG3 GLU 106 2HG GLU 106 11.784 -4.672 7.276 792 H GLY 107 H GLY 107 13.873 -5.661 2.936 793 HA2 GLY 107 1HA GLY 107 14.359 -8.527 2.516 794 HA3 GLY 107 2HA GLY 107 14.563 -7.263 1.312 795 H ILE 108 H ILE 108 16.654 -7.845 0.770 796 HA ILE 108 HA ILE 108 18.675 -7.780 2.888 797 HB ILE 108 HB ILE 108 20.133 -8.374 0.730 798 HG12 ILE 108 1HG1 ILE 108 17.923 -8.177 -0.621 799 HG13 ILE 108 2HG1 ILE 108 18.996 -9.534 -0.946 800 HG21 ILE 108 1HG2 ILE 108 20.006 -10.669 1.384 801 HG22 ILE 108 2HG2 ILE 108 19.828 -9.681 2.833 802 HG23 ILE 108 3HG2 ILE 108 18.411 -10.432 2.098 803 HD11 ILE 108 1HD1 ILE 108 16.763 -9.813 1.016 804 HD12 ILE 108 2HD1 ILE 108 16.465 -9.948 -0.718 805 HD13 ILE 108 3HD1 ILE 108 17.589 -11.054 0.073 806 HA PRO 109 HA PRO 109 19.700 -3.613 1.756 807 HB2 PRO 109 1HB PRO 109 21.920 -3.411 3.305 808 HB3 PRO 109 2HB PRO 109 20.281 -3.330 3.961 809 HG2 PRO 109 1HG PRO 109 22.181 -5.642 3.893 810 HG3 PRO 109 2HG PRO 109 21.132 -5.095 5.213 811 HD2 PRO 109 1HD PRO 109 20.489 -7.181 3.611 812 HD3 PRO 109 2HD PRO 109 19.265 -6.107 4.317 813 H LEU 110 H LEU 110 21.497 -2.447 0.780 814 HA LEU 110 HA LEU 110 23.218 -4.233 -0.804 815 HB2 LEU 110 1HB LEU 110 22.109 -1.497 -1.377 816 HB3 LEU 110 2HB LEU 110 23.388 -2.232 -2.342 817 HG LEU 110 HG LEU 110 20.830 -3.720 -1.977 818 HD11 LEU 110 1HD1 LEU 110 21.030 -1.094 -3.158 819 HD12 LEU 110 2HD1 LEU 110 19.607 -2.093 -2.864 820 HD13 LEU 110 3HD1 LEU 110 20.538 -2.300 -4.347 821 HD21 LEU 110 1HD2 LEU 110 22.962 -3.501 -4.084 822 HD22 LEU 110 2HD2 LEU 110 21.415 -4.293 -4.385 823 HD23 LEU 110 3HD2 LEU 110 22.495 -4.912 -3.134 824 H TYR 111 H TYR 111 25.335 -3.269 -1.462 825 HA TYR 111 HA TYR 111 26.450 -1.581 0.680 826 HB2 TYR 111 1HB TYR 111 27.390 -4.194 -0.387 827 HB3 TYR 111 2HB TYR 111 28.616 -3.000 0.022 828 HD1 TYR 111 2HD TYR 111 25.418 -4.162 1.583 829 HD2 TYR 111 1HD TYR 111 29.568 -3.369 2.082 830 HE1 TYR 111 2HE TYR 111 25.251 -4.810 3.950 831 HE2 TYR 111 1HE TYR 111 29.413 -4.015 4.450 832 HH TYR 111 HH TYR 111 27.840 -4.282 6.187 833 H GLU 112 H GLU 112 27.237 0.260 -0.074 834 HA GLU 112 HA GLU 112 28.438 0.292 -2.760 835 HB2 GLU 112 1HB GLU 112 26.327 2.056 -1.615 836 HB3 GLU 112 2HB GLU 112 27.523 2.787 -2.676 837 HG2 GLU 112 1HG GLU 112 25.553 0.617 -3.309 838 HG3 GLU 112 2HG GLU 112 25.705 2.212 -4.045 839 H SER 113 H SER 113 29.625 2.536 -3.028 840 HA SER 113 HA SER 113 30.985 3.285 -0.546 841 HB2 SER 113 1HB SER 113 33.182 2.982 -1.475 842 HB3 SER 113 2HB SER 113 32.302 1.470 -1.693 843 HG SER 113 HG SER 113 33.520 2.792 -3.544 844 H ALA 114 H ALA 114 31.613 5.390 -0.454 845 HA ALA 114 HA ALA 114 31.863 7.028 -2.798 846 HB1 ALA 114 1HB ALA 114 30.009 8.463 -2.499 847 HB2 ALA 114 2HB ALA 114 29.370 6.820 -2.445 848 HB3 ALA 114 3HB ALA 114 29.595 7.728 -0.950 849 H VAL 115 H VAL 115 33.484 8.350 -2.338 850 HA VAL 115 HA VAL 115 33.907 9.156 0.460 851 HB VAL 115 HB VAL 115 35.903 9.213 -1.807 852 HG11 VAL 115 1HG1 VAL 115 37.384 10.134 -0.395 853 HG12 VAL 115 2HG1 VAL 115 35.958 10.630 0.518 854 HG13 VAL 115 3HG1 VAL 115 36.833 9.167 0.972 855 HG21 VAL 115 1HG2 VAL 115 35.137 7.097 0.120 856 HG22 VAL 115 2HG2 VAL 115 35.756 6.962 -1.525 857 HG23 VAL 115 3HG2 VAL 115 36.858 7.315 -0.195 858 H THR 116 H THR 116 33.119 11.107 0.885 859 HA THR 116 HA THR 116 32.273 13.051 -0.828 860 HB THR 116 HB THR 116 32.695 14.706 1.011 861 HG1 THR 116 1HG THR 116 34.560 13.103 1.727 862 HG21 THR 116 1HG2 THR 116 30.607 13.628 1.095 863 HG22 THR 116 2HG2 THR 116 31.273 13.431 2.716 864 HG23 THR 116 3HG2 THR 116 31.324 12.090 1.572 865 H ARG 117 H ARG 117 33.129 14.939 -1.724 866 HA ARG 117 HA ARG 117 35.848 14.735 -2.590 867 HB2 ARG 117 1HB ARG 117 33.776 16.899 -2.986 868 HB3 ARG 117 2HB ARG 117 35.359 16.894 -3.752 869 HG2 ARG 117 1HG ARG 117 34.687 14.604 -4.685 870 HG3 ARG 117 2HG ARG 117 33.046 15.050 -4.214 871 HD2 ARG 117 1HD ARG 117 33.464 15.612 -6.547 872 HD3 ARG 117 2HD ARG 117 33.200 17.067 -5.587 873 HE ARG 117 HE ARG 117 35.688 16.223 -6.836 874 HH11 ARG 117 2HH1 ARG 117 34.048 18.425 -4.697 875 HH12 ARG 117 1HH1 ARG 117 35.293 19.628 -4.768 876 HH21 ARG 117 2HH2 ARG 117 37.335 17.798 -6.938 877 HH22 ARG 117 1HH2 ARG 117 37.162 19.270 -6.044 878 HA PRO 118 HA PRO 118 37.914 17.187 0.407 879 HB2 PRO 118 1HB PRO 118 39.819 18.382 -1.114 880 HB3 PRO 118 2HB PRO 118 39.865 16.667 -0.688 881 HG2 PRO 118 1HG PRO 118 38.942 17.964 -3.223 882 HG3 PRO 118 2HG PRO 118 39.934 16.510 -3.007 883 HD2 PRO 118 1HD PRO 118 37.287 16.399 -3.566 884 HD3 PRO 118 2HD PRO 118 38.106 15.175 -2.574 885 H HIS 119 H HIS 119 37.462 19.071 1.359 886 HA HIS 119 HA HIS 119 36.476 21.279 -0.317 887 HB2 HIS 119 1HB HIS 119 34.780 20.627 1.211 888 HB3 HIS 119 2HB HIS 119 35.920 20.523 2.548 889 HD1 HIS 119 1HD HIS 119 35.060 23.358 0.148 890 HD2 HIS 119 2HD HIS 119 35.375 22.569 4.215 891 HE1 HIS 119 1HE HIS 119 34.563 25.539 1.296 892 HE2 HIS 119 2HE HIS 119 34.843 25.058 3.753 893 H THR 120 H THR 120 38.130 22.603 -0.761 894 HA THR 120 HA THR 120 40.207 23.111 1.200 895 HB THR 120 HB THR 120 41.259 24.480 -0.551 896 HG1 THR 120 1HG THR 120 38.865 23.875 -1.966 897 HG21 THR 120 1HG2 THR 120 42.051 22.366 -0.849 898 HG22 THR 120 2HG2 THR 120 41.177 22.523 -2.373 899 HG23 THR 120 3HG2 THR 120 40.440 21.670 -1.018 900 H SER 121 H SER 121 40.926 25.461 1.444 901 HA SER 121 HA SER 121 38.546 27.138 1.900 902 HB2 SER 121 1HB SER 121 39.775 28.156 3.781 903 HB3 SER 121 2HB SER 121 39.584 26.416 4.000 904 HG SER 121 HG SER 121 41.836 27.843 3.916 905 H GLY 122 H GLY 122 39.155 27.619 -0.476 906 HA2 GLY 122 1HA GLY 122 40.436 30.198 -0.489 907 HA3 GLY 122 2HA GLY 122 41.346 28.970 -1.356 908 HA PRO 123 HA PRO 123 37.874 30.931 -3.965 909 HB2 PRO 123 1HB PRO 123 39.401 32.566 -5.502 910 HB3 PRO 123 2HB PRO 123 38.663 33.089 -3.983 911 HG2 PRO 123 1HG PRO 123 41.471 32.196 -4.517 912 HG3 PRO 123 2HG PRO 123 40.896 33.553 -3.530 913 HD2 PRO 123 1HD PRO 123 41.674 31.194 -2.452 914 HD3 PRO 123 2HD PRO 123 40.400 32.199 -1.732 915 H SER 124 H SER 124 37.664 30.705 -6.321 916 HA SER 124 HA SER 124 39.198 28.411 -7.259 917 HB2 SER 124 1HB SER 124 36.594 29.673 -8.032 918 HB3 SER 124 2HB SER 124 37.434 28.653 -9.200 919 HG SER 124 HG SER 124 36.216 27.977 -6.789 920 H SER 125 H SER 125 39.672 28.391 -9.686 921 HA SER 125 HA SER 125 41.620 30.278 -10.271 922 HB2 SER 125 1HB SER 125 41.471 29.411 -12.620 923 HB3 SER 125 2HB SER 125 41.609 28.146 -11.400 924 HG SER 125 HG SER 125 39.946 27.881 -13.099 925 H GLY 126 H GLY 126 41.509 32.345 -10.831 926 HA2 GLY 126 1HA GLY 126 38.965 33.370 -11.902 927 HA3 GLY 126 2HA GLY 126 40.177 34.329 -11.066 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -8.344 18.977 44.836 2 HA2 GLY 1 1HA GLY 1 -9.917 16.586 45.127 3 HA3 GLY 1 2HA GLY 1 -10.625 17.738 44.005 4 H SER 2 H SER 2 -10.319 15.978 42.449 5 HA SER 2 HA SER 2 -8.045 16.420 40.830 6 HB2 SER 2 1HB SER 2 -7.975 14.099 42.693 7 HB3 SER 2 2HB SER 2 -7.406 13.831 41.045 8 HG SER 2 HG SER 2 -5.958 14.747 42.899 9 H SER 3 H SER 3 -8.147 15.291 38.821 10 HA SER 3 HA SER 3 -10.132 13.356 38.237 11 HB2 SER 3 1HB SER 3 -10.816 16.232 37.833 12 HB3 SER 3 2HB SER 3 -11.330 15.079 36.602 13 HG SER 3 HG SER 3 -12.311 15.497 39.104 14 H GLY 4 H GLY 4 -10.478 13.301 35.710 15 HA2 GLY 4 1HA GLY 4 -8.586 14.407 33.975 16 HA3 GLY 4 2HA GLY 4 -7.931 12.888 34.567 17 H SER 5 H SER 5 -8.480 13.345 31.871 18 HA SER 5 HA SER 5 -10.059 11.078 31.256 19 HB2 SER 5 1HB SER 5 -11.985 12.025 30.267 20 HB3 SER 5 2HB SER 5 -11.809 12.877 31.801 21 HG SER 5 HG SER 5 -11.605 13.819 29.226 22 H SER 6 H SER 6 -9.576 10.324 29.258 23 HA SER 6 HA SER 6 -8.692 12.006 27.122 24 HB2 SER 6 1HB SER 6 -6.693 11.650 28.825 25 HB3 SER 6 2HB SER 6 -6.557 10.103 27.990 26 HG SER 6 HG SER 6 -6.553 11.418 26.006 27 H GLY 7 H GLY 7 -8.505 10.898 25.146 28 HA2 GLY 7 1HA GLY 7 -8.498 8.090 24.880 29 HA3 GLY 7 2HA GLY 7 -10.159 8.662 24.834 30 HA PRO 8 HA PRO 8 -7.702 10.376 20.988 31 HB2 PRO 8 1HB PRO 8 -5.673 8.752 20.204 32 HB3 PRO 8 2HB PRO 8 -5.442 10.113 21.307 33 HG2 PRO 8 1HG PRO 8 -5.736 7.200 21.929 34 HG3 PRO 8 2HG PRO 8 -4.609 8.383 22.618 35 HD2 PRO 8 1HD PRO 8 -6.869 7.609 23.894 36 HD3 PRO 8 2HD PRO 8 -6.193 9.243 24.055 37 H ALA 9 H ALA 9 -7.615 9.524 18.723 38 HA ALA 9 HA ALA 9 -8.608 6.854 18.266 39 HB1 ALA 9 1HB ALA 9 -10.622 8.256 18.913 40 HB2 ALA 9 2HB ALA 9 -10.383 9.116 17.391 41 HB3 ALA 9 3HB ALA 9 -10.724 7.386 17.382 42 H THR 10 H THR 10 -7.834 6.133 16.390 43 HA THR 10 HA THR 10 -7.432 7.958 14.157 44 HB THR 10 HB THR 10 -5.296 8.148 15.247 45 HG1 THR 10 1HG THR 10 -5.259 6.391 13.005 46 HG21 THR 10 1HG2 THR 10 -3.912 6.258 15.817 47 HG22 THR 10 2HG2 THR 10 -5.096 5.137 15.144 48 HG23 THR 10 3HG2 THR 10 -5.483 6.064 16.593 49 H ASP 11 H ASP 11 -8.137 7.004 12.370 50 HA ASP 11 HA ASP 11 -7.603 4.201 11.867 51 HB2 ASP 11 1HB ASP 11 -10.468 5.099 11.685 52 HB3 ASP 11 2HB ASP 11 -9.826 3.459 11.690 53 H TRP 12 H TRP 12 -8.126 3.567 9.661 54 HA TRP 12 HA TRP 12 -7.381 5.539 7.787 55 HB2 TRP 12 1HB TRP 12 -7.790 3.817 6.093 56 HB3 TRP 12 2HB TRP 12 -6.907 3.151 7.464 57 HD1 TRP 12 HD TRP 12 -8.430 1.646 9.228 58 HE1 TRP 12 1HE TRP 12 -10.423 0.094 8.730 59 HE3 TRP 12 3HE TRP 12 -9.724 3.441 4.620 60 HZ2 TRP 12 2HZ TRP 12 -12.295 -0.315 6.657 61 HZ3 TRP 12 3HZ TRP 12 -11.627 2.415 3.446 62 HH2 TRP 12 HH TRP 12 -12.884 0.575 4.445 63 H LEU 13 H LEU 13 -8.587 7.128 7.010 64 HA LEU 13 HA LEU 13 -11.466 6.645 6.612 65 HB2 LEU 13 1HB LEU 13 -12.010 8.767 7.369 66 HB3 LEU 13 2HB LEU 13 -10.767 8.233 8.499 67 HG LEU 13 HG LEU 13 -10.141 9.996 6.145 68 HD11 LEU 13 1HD1 LEU 13 -11.725 11.277 7.316 69 HD12 LEU 13 2HD1 LEU 13 -10.156 11.844 7.886 70 HD13 LEU 13 3HD1 LEU 13 -11.114 10.751 8.885 71 HD21 LEU 13 1HD2 LEU 13 -8.733 9.161 8.655 72 HD22 LEU 13 2HD2 LEU 13 -8.290 10.645 7.812 73 HD23 LEU 13 3HD2 LEU 13 -8.168 9.091 6.986 74 H SER 14 H SER 14 -12.272 7.087 4.647 75 HA SER 14 HA SER 14 -12.087 7.291 2.351 76 HB2 SER 14 1HB SER 14 -11.941 9.669 1.703 77 HB3 SER 14 2HB SER 14 -12.987 9.442 3.105 78 HG SER 14 HG SER 14 -10.339 9.899 3.707 79 H ALA 15 H ALA 15 -9.722 6.168 3.365 80 HA ALA 15 HA ALA 15 -7.516 7.564 2.073 81 HB1 ALA 15 1HB ALA 15 -7.757 5.294 3.973 82 HB2 ALA 15 2HB ALA 15 -6.331 5.361 2.937 83 HB3 ALA 15 3HB ALA 15 -6.699 6.704 4.020 84 H GLU 16 H GLU 16 -6.336 6.758 0.343 85 HA GLU 16 HA GLU 16 -7.826 5.132 -1.500 86 HB2 GLU 16 1HB GLU 16 -6.166 5.682 -3.101 87 HB3 GLU 16 2HB GLU 16 -6.401 7.126 -2.128 88 HG2 GLU 16 1HG GLU 16 -4.368 6.838 -1.004 89 HG3 GLU 16 2HG GLU 16 -4.215 5.165 -1.536 90 H THR 17 H THR 17 -6.928 3.243 -2.581 91 HA THR 17 HA THR 17 -4.786 1.794 -1.314 92 HB THR 17 HB THR 17 -7.539 0.557 -1.201 93 HG1 THR 17 1HG THR 17 -7.415 2.246 0.319 94 HG21 THR 17 1HG2 THR 17 -6.235 -1.282 -1.080 95 HG22 THR 17 2HG2 THR 17 -5.984 -0.765 0.587 96 HG23 THR 17 3HG2 THR 17 -4.797 -0.358 -0.652 97 H PHE 18 H PHE 18 -3.731 1.199 -3.096 98 HA PHE 18 HA PHE 18 -5.281 0.013 -5.303 99 HB2 PHE 18 1HB PHE 18 -2.800 1.705 -5.293 100 HB3 PHE 18 2HB PHE 18 -3.132 0.622 -6.640 101 HD1 PHE 18 2HD PHE 18 -4.830 3.250 -4.611 102 HD2 PHE 18 1HD PHE 18 -4.310 1.444 -8.429 103 HE1 PHE 18 2HE PHE 18 -6.295 4.954 -5.612 104 HE2 PHE 18 1HE PHE 18 -5.774 3.145 -9.437 105 HZ PHE 18 HZ PHE 18 -6.770 4.902 -8.028 106 H GLU 19 H GLU 19 -4.914 -1.806 -3.525 107 HA GLU 19 HA GLU 19 -2.616 -3.374 -4.478 108 HB2 GLU 19 1HB GLU 19 -2.385 -4.311 -2.177 109 HB3 GLU 19 2HB GLU 19 -1.985 -2.603 -2.292 110 HG2 GLU 19 1HG GLU 19 -4.325 -2.121 -1.494 111 HG3 GLU 19 2HG GLU 19 -4.466 -3.843 -1.143 112 H SER 20 H SER 20 -5.191 -3.530 -5.520 113 HA SER 20 HA SER 20 -6.648 -5.668 -4.272 114 HB2 SER 20 1HB SER 20 -8.026 -5.579 -6.367 115 HB3 SER 20 2HB SER 20 -7.894 -4.031 -5.532 116 HG SER 20 HG SER 20 -5.879 -4.114 -7.193 117 H ASP 21 H ASP 21 -4.404 -5.346 -6.968 118 HA ASP 21 HA ASP 21 -4.257 -8.285 -7.098 119 HB2 ASP 21 1HB ASP 21 -5.404 -7.082 -9.082 120 HB3 ASP 21 2HB ASP 21 -3.779 -6.549 -9.506 121 H LEU 22 H LEU 22 -2.545 -7.671 -5.447 122 HA LEU 22 HA LEU 22 0.012 -7.494 -6.842 123 HB2 LEU 22 1HB LEU 22 -0.759 -5.742 -4.514 124 HB3 LEU 22 2HB LEU 22 0.881 -5.918 -5.135 125 HG LEU 22 HG LEU 22 -1.444 -4.798 -6.698 126 HD11 LEU 22 1HD1 LEU 22 -0.726 -2.663 -6.202 127 HD12 LEU 22 2HD1 LEU 22 0.881 -3.200 -5.716 128 HD13 LEU 22 3HD1 LEU 22 -0.502 -3.491 -4.661 129 HD21 LEU 22 1HD2 LEU 22 1.504 -4.753 -7.319 130 HD22 LEU 22 2HD2 LEU 22 0.185 -4.177 -8.338 131 HD23 LEU 22 3HD2 LEU 22 0.361 -5.903 -8.014 132 H ASP 23 H ASP 23 1.797 -8.323 -5.618 133 HA ASP 23 HA ASP 23 0.972 -10.417 -3.779 134 HB2 ASP 23 1HB ASP 23 3.655 -9.798 -5.032 135 HB3 ASP 23 2HB ASP 23 3.331 -11.183 -3.993 136 H GLU 24 H GLU 24 0.881 -10.025 -1.676 137 HA GLU 24 HA GLU 24 2.949 -8.309 -0.477 138 HB2 GLU 24 1HB GLU 24 0.595 -7.267 -0.720 139 HB3 GLU 24 2HB GLU 24 0.131 -8.371 0.567 140 HG2 GLU 24 1HG GLU 24 2.044 -7.381 1.905 141 HG3 GLU 24 2HG GLU 24 2.116 -6.125 0.671 142 H THR 25 H THR 25 2.979 -11.140 -0.682 143 HA THR 25 HA THR 25 2.458 -11.980 2.091 144 HB THR 25 HB THR 25 2.712 -14.320 1.183 145 HG1 THR 25 1HG THR 25 3.001 -14.612 -0.922 146 HG21 THR 25 1HG2 THR 25 0.471 -14.159 -0.133 147 HG22 THR 25 2HG2 THR 25 0.513 -12.465 0.354 148 HG23 THR 25 3HG2 THR 25 0.503 -13.734 1.578 149 H ARG 26 H ARG 26 4.912 -11.405 -0.254 150 HA ARG 26 HA ARG 26 6.926 -12.518 1.588 151 HB2 ARG 26 1HB ARG 26 8.345 -13.012 -0.292 152 HB3 ARG 26 2HB ARG 26 6.766 -13.731 -0.583 153 HG2 ARG 26 1HG ARG 26 6.305 -11.517 -1.877 154 HG3 ARG 26 2HG ARG 26 8.066 -11.409 -1.925 155 HD2 ARG 26 1HD ARG 26 7.460 -12.517 -3.907 156 HD3 ARG 26 2HD ARG 26 8.035 -13.784 -2.825 157 HE ARG 26 HE ARG 26 5.277 -13.576 -2.495 158 HH11 ARG 26 2HH1 ARG 26 7.560 -14.466 -4.968 159 HH12 ARG 26 1HH1 ARG 26 6.482 -15.575 -5.747 160 HH21 ARG 26 2HH2 ARG 26 3.848 -15.034 -3.512 161 HH22 ARG 26 1HH2 ARG 26 4.370 -15.897 -4.919 162 H VAL 27 H VAL 27 9.052 -11.417 1.480 163 HA VAL 27 HA VAL 27 8.672 -8.560 1.615 164 HB VAL 27 HB VAL 27 10.967 -8.468 2.434 165 HG11 VAL 27 1HG1 VAL 27 10.208 -10.760 4.016 166 HG12 VAL 27 2HG1 VAL 27 10.247 -9.051 4.457 167 HG13 VAL 27 3HG1 VAL 27 8.818 -9.730 3.676 168 HG21 VAL 27 1HG2 VAL 27 11.123 -11.062 1.142 169 HG22 VAL 27 2HG2 VAL 27 12.414 -9.958 1.617 170 HG23 VAL 27 3HG2 VAL 27 11.751 -11.096 2.790 171 HA PRO 28 HA PRO 28 10.202 -7.464 -2.356 172 HB2 PRO 28 1HB PRO 28 11.308 -5.047 -1.804 173 HB3 PRO 28 2HB PRO 28 9.562 -5.314 -1.861 174 HG2 PRO 28 1HG PRO 28 11.381 -5.179 0.512 175 HG3 PRO 28 2HG PRO 28 9.772 -4.465 0.293 176 HD2 PRO 28 1HD PRO 28 10.173 -6.755 1.681 177 HD3 PRO 28 2HD PRO 28 8.691 -6.448 0.752 178 H GLU 29 H GLU 29 11.839 -8.843 -2.924 179 HA GLU 29 HA GLU 29 14.310 -9.144 -1.708 180 HB2 GLU 29 1HB GLU 29 13.431 -9.543 -4.561 181 HB3 GLU 29 2HB GLU 29 15.066 -9.914 -4.031 182 HG2 GLU 29 1HG GLU 29 12.706 -11.078 -2.614 183 HG3 GLU 29 2HG GLU 29 13.308 -11.795 -4.108 184 H VAL 30 H VAL 30 16.459 -8.542 -2.619 185 HA VAL 30 HA VAL 30 17.066 -5.931 -2.448 186 HB VAL 30 HB VAL 30 18.816 -7.576 -2.646 187 HG11 VAL 30 1HG1 VAL 30 18.013 -7.835 -5.543 188 HG12 VAL 30 2HG1 VAL 30 19.389 -8.628 -4.773 189 HG13 VAL 30 3HG1 VAL 30 17.745 -9.041 -4.284 190 HG21 VAL 30 1HG2 VAL 30 20.166 -6.420 -4.576 191 HG22 VAL 30 2HG2 VAL 30 18.802 -5.302 -4.576 192 HG23 VAL 30 3HG2 VAL 30 19.755 -5.530 -3.109 193 HA PRO 31 HA PRO 31 15.205 -3.824 -5.849 194 HB2 PRO 31 1HB PRO 31 16.682 -1.548 -5.750 195 HB3 PRO 31 2HB PRO 31 15.414 -1.921 -4.577 196 HG2 PRO 31 1HG PRO 31 18.379 -2.253 -4.331 197 HG3 PRO 31 2HG PRO 31 17.220 -1.630 -3.142 198 HD2 PRO 31 1HD PRO 31 18.182 -4.160 -3.051 199 HD3 PRO 31 2HD PRO 31 16.545 -3.740 -2.506 200 H SER 32 H SER 32 15.779 -2.829 -7.926 201 HA SER 32 HA SER 32 17.356 -4.365 -9.533 202 HB2 SER 32 1HB SER 32 15.891 -2.873 -10.619 203 HB3 SER 32 2HB SER 32 16.545 -1.473 -9.769 204 HG SER 32 HG SER 32 18.051 -1.305 -11.228 205 H SER 33 H SER 33 18.327 -1.304 -7.999 206 HA SER 33 HA SER 33 20.975 -2.164 -7.521 207 HB2 SER 33 1HB SER 33 22.210 -0.851 -9.122 208 HB3 SER 33 2HB SER 33 21.073 -1.864 -10.012 209 HG SER 33 HG SER 33 21.258 0.512 -10.530 210 H LEU 34 H LEU 34 22.400 0.052 -7.271 211 HA LEU 34 HA LEU 34 20.834 2.224 -6.185 212 HB2 LEU 34 1HB LEU 34 20.723 1.048 -4.214 213 HB3 LEU 34 2HB LEU 34 22.274 0.255 -4.477 214 HG LEU 34 HG LEU 34 23.281 2.601 -4.061 215 HD11 LEU 34 1HD1 LEU 34 21.434 4.020 -4.075 216 HD12 LEU 34 2HD1 LEU 34 21.803 3.828 -2.362 217 HD13 LEU 34 3HD1 LEU 34 20.467 2.930 -3.082 218 HD21 LEU 34 1HD2 LEU 34 22.519 0.445 -2.338 219 HD22 LEU 34 2HD2 LEU 34 22.431 1.969 -1.455 220 HD23 LEU 34 3HD2 LEU 34 23.933 1.496 -2.251 221 H HIS 35 H HIS 35 21.831 3.969 -6.919 222 HA HIS 35 HA HIS 35 24.734 3.898 -7.323 223 HB2 HIS 35 1HB HIS 35 23.716 4.568 -9.321 224 HB3 HIS 35 2HB HIS 35 22.520 5.560 -8.491 225 HD1 HIS 35 1HD HIS 35 22.970 7.989 -8.546 226 HD2 HIS 35 2HD HIS 35 26.443 5.763 -9.045 227 HE1 HIS 35 1HE HIS 35 24.791 9.670 -8.970 228 HE2 HIS 35 2HE HIS 35 26.867 8.296 -9.354 229 H VAL 36 H VAL 36 26.073 5.587 -6.582 230 HA VAL 36 HA VAL 36 24.904 7.383 -4.574 231 HB VAL 36 HB VAL 36 26.917 6.982 -3.126 232 HG11 VAL 36 1HG1 VAL 36 24.657 5.986 -2.729 233 HG12 VAL 36 2HG1 VAL 36 25.226 4.523 -3.536 234 HG13 VAL 36 3HG1 VAL 36 25.996 5.065 -2.044 235 HG21 VAL 36 1HG2 VAL 36 28.498 5.446 -3.599 236 HG22 VAL 36 2HG2 VAL 36 27.343 4.324 -4.319 237 HG23 VAL 36 3HG2 VAL 36 27.953 5.686 -5.259 238 H ARG 37 H ARG 37 25.805 9.391 -4.464 239 HA ARG 37 HA ARG 37 28.128 9.916 -6.198 240 HB2 ARG 37 1HB ARG 37 26.333 10.801 -7.429 241 HB3 ARG 37 2HB ARG 37 25.529 11.409 -5.988 242 HG2 ARG 37 1HG ARG 37 26.364 13.316 -7.022 243 HG3 ARG 37 2HG ARG 37 27.539 12.973 -5.751 244 HD2 ARG 37 1HD ARG 37 28.651 13.549 -7.844 245 HD3 ARG 37 2HD ARG 37 28.992 11.882 -7.380 246 HE ARG 37 HE ARG 37 26.863 11.654 -9.042 247 HH11 ARG 37 2HH1 ARG 37 29.973 13.196 -9.307 248 HH12 ARG 37 1HH1 ARG 37 30.082 12.974 -11.022 249 HH21 ARG 37 2HH2 ARG 37 26.995 11.356 -11.299 250 HH22 ARG 37 1HH2 ARG 37 28.387 11.929 -12.154 251 HA PRO 38 HA PRO 38 29.528 11.442 -2.201 252 HB2 PRO 38 1HB PRO 38 32.123 11.699 -2.958 253 HB3 PRO 38 2HB PRO 38 31.405 10.150 -2.500 254 HG2 PRO 38 1HG PRO 38 31.903 11.274 -5.229 255 HG3 PRO 38 2HG PRO 38 32.173 9.627 -4.632 256 HD2 PRO 38 1HD PRO 38 30.008 10.304 -6.109 257 HD3 PRO 38 2HD PRO 38 29.954 9.047 -4.857 258 H LEU 39 H LEU 39 29.357 13.496 -1.579 259 HA LEU 39 HA LEU 39 30.229 15.610 -3.437 260 HB2 LEU 39 1HB LEU 39 27.733 15.313 -1.855 261 HB3 LEU 39 2HB LEU 39 28.407 16.932 -2.028 262 HG LEU 39 HG LEU 39 28.399 16.309 -4.585 263 HD11 LEU 39 1HD1 LEU 39 27.629 13.961 -4.029 264 HD12 LEU 39 2HD1 LEU 39 26.708 14.817 -5.265 265 HD13 LEU 39 3HD1 LEU 39 26.066 14.674 -3.628 266 HD21 LEU 39 1HD2 LEU 39 26.402 17.517 -4.816 267 HD22 LEU 39 2HD2 LEU 39 27.099 18.087 -3.299 268 HD23 LEU 39 3HD2 LEU 39 25.767 16.930 -3.279 269 H VAL 40 H VAL 40 31.005 17.564 -2.461 270 HA VAL 40 HA VAL 40 32.982 17.489 -0.719 271 HB VAL 40 HB VAL 40 30.866 19.645 -0.684 272 HG11 VAL 40 1HG1 VAL 40 33.392 19.331 0.782 273 HG12 VAL 40 2HG1 VAL 40 33.188 20.884 -0.030 274 HG13 VAL 40 3HG1 VAL 40 31.987 20.334 1.140 275 HG21 VAL 40 1HG2 VAL 40 33.497 19.928 -2.041 276 HG22 VAL 40 2HG2 VAL 40 32.253 18.956 -2.825 277 HG23 VAL 40 3HG2 VAL 40 31.937 20.647 -2.439 278 H THR 41 H THR 41 29.907 18.627 0.650 279 HA THR 41 HA THR 41 30.526 17.083 3.085 280 HB THR 41 HB THR 41 29.068 18.844 4.244 281 HG1 THR 41 1HG THR 41 28.171 19.961 2.577 282 HG21 THR 41 1HG2 THR 41 30.952 20.406 4.474 283 HG22 THR 41 2HG2 THR 41 31.727 19.670 3.071 284 HG23 THR 41 3HG2 THR 41 31.488 18.728 4.543 285 H SER 42 H SER 42 28.939 16.296 0.700 286 HA SER 42 HA SER 42 26.609 15.349 2.145 287 HB2 SER 42 1HB SER 42 25.141 16.031 0.132 288 HB3 SER 42 2HB SER 42 25.570 17.282 1.299 289 HG SER 42 HG SER 42 26.480 16.894 -1.321 290 H ILE 43 H ILE 43 25.206 14.049 0.366 291 HA ILE 43 HA ILE 43 26.790 12.743 -1.643 292 HB ILE 43 HB ILE 43 25.949 11.139 0.775 293 HG12 ILE 43 1HG1 ILE 43 28.678 11.930 -0.262 294 HG13 ILE 43 2HG1 ILE 43 27.942 12.430 1.257 295 HG21 ILE 43 1HG2 ILE 43 26.358 9.238 -0.365 296 HG22 ILE 43 2HG2 ILE 43 26.006 10.246 -1.768 297 HG23 ILE 43 3HG2 ILE 43 27.678 9.952 -1.291 298 HD11 ILE 43 1HD1 ILE 43 29.259 9.892 0.527 299 HD12 ILE 43 2HD1 ILE 43 29.265 10.784 2.049 300 HD13 ILE 43 3HD1 ILE 43 27.873 9.793 1.613 301 H VAL 44 H VAL 44 25.323 12.774 -3.220 302 HA VAL 44 HA VAL 44 22.510 12.543 -2.739 303 HB VAL 44 HB VAL 44 23.816 12.275 -5.435 304 HG11 VAL 44 1HG1 VAL 44 21.141 12.454 -4.488 305 HG12 VAL 44 2HG1 VAL 44 21.503 13.911 -5.415 306 HG13 VAL 44 3HG1 VAL 44 21.716 12.322 -6.150 307 HG21 VAL 44 1HG2 VAL 44 23.168 14.938 -5.179 308 HG22 VAL 44 2HG2 VAL 44 23.892 14.550 -3.618 309 HG23 VAL 44 3HG2 VAL 44 24.794 14.258 -5.105 310 H VAL 45 H VAL 45 22.129 10.541 -1.801 311 HA VAL 45 HA VAL 45 23.033 8.115 -3.083 312 HB VAL 45 HB VAL 45 21.169 8.541 -0.745 313 HG11 VAL 45 1HG1 VAL 45 22.116 5.977 -0.562 314 HG12 VAL 45 2HG1 VAL 45 20.518 6.438 -1.151 315 HG13 VAL 45 3HG1 VAL 45 21.833 6.156 -2.293 316 HG21 VAL 45 1HG2 VAL 45 24.023 7.569 -0.798 317 HG22 VAL 45 2HG2 VAL 45 23.533 9.217 -0.404 318 HG23 VAL 45 3HG2 VAL 45 23.033 7.878 0.628 319 H SER 46 H SER 46 22.094 7.793 -5.034 320 HA SER 46 HA SER 46 19.166 7.974 -5.213 321 HB2 SER 46 1HB SER 46 20.958 7.585 -7.590 322 HB3 SER 46 2HB SER 46 19.375 8.355 -7.505 323 HG SER 46 HG SER 46 21.889 9.396 -6.997 324 H TRP 47 H TRP 47 17.937 6.219 -5.600 325 HA TRP 47 HA TRP 47 19.300 3.684 -6.212 326 HB2 TRP 47 1HB TRP 47 17.760 2.528 -4.664 327 HB3 TRP 47 2HB TRP 47 18.779 3.697 -3.830 328 HD1 TRP 47 HD TRP 47 15.143 3.050 -4.805 329 HE1 TRP 47 1HE TRP 47 13.632 4.647 -3.466 330 HE3 TRP 47 3HE TRP 47 18.748 5.988 -2.681 331 HZ2 TRP 47 2HZ TRP 47 13.929 6.859 -1.738 332 HZ3 TRP 47 3HZ TRP 47 18.050 7.823 -1.198 333 HH2 TRP 47 HH TRP 47 15.691 8.249 -0.738 334 H THR 48 H THR 48 17.295 1.979 -6.514 335 HA THR 48 HA THR 48 15.270 3.207 -8.232 336 HB THR 48 HB THR 48 15.688 1.341 -9.927 337 HG1 THR 48 1HG THR 48 18.164 0.930 -9.790 338 HG21 THR 48 1HG2 THR 48 17.729 3.538 -9.567 339 HG22 THR 48 2HG2 THR 48 16.204 3.646 -10.446 340 HG23 THR 48 3HG2 THR 48 17.499 2.613 -11.050 341 HA PRO 49 HA PRO 49 12.569 0.222 -6.477 342 HB2 PRO 49 1HB PRO 49 10.820 -0.176 -8.515 343 HB3 PRO 49 2HB PRO 49 10.857 1.309 -7.558 344 HG2 PRO 49 1HG PRO 49 12.038 0.765 -10.254 345 HG3 PRO 49 2HG PRO 49 11.153 2.193 -9.688 346 HD2 PRO 49 1HD PRO 49 13.854 2.130 -9.869 347 HD3 PRO 49 2HD PRO 49 13.001 3.076 -8.631 348 HA PRO 50 HA PRO 50 13.719 -3.864 -7.629 349 HB2 PRO 50 1HB PRO 50 11.513 -5.271 -6.903 350 HB3 PRO 50 2HB PRO 50 12.642 -4.581 -5.730 351 HG2 PRO 50 1HG PRO 50 10.004 -3.522 -6.669 352 HG3 PRO 50 2HG PRO 50 10.664 -3.583 -5.024 353 HD2 PRO 50 1HD PRO 50 10.695 -1.329 -6.523 354 HD3 PRO 50 2HD PRO 50 11.964 -1.707 -5.341 355 H GLU 51 H GLU 51 13.847 -4.769 -9.578 356 HA GLU 51 HA GLU 51 12.545 -4.190 -11.836 357 HB2 GLU 51 1HB GLU 51 14.370 -6.049 -11.237 358 HB3 GLU 51 2HB GLU 51 12.979 -7.105 -11.440 359 HG2 GLU 51 1HG GLU 51 12.719 -5.662 -13.661 360 HG3 GLU 51 2HG GLU 51 14.460 -5.508 -13.437 361 H ASN 52 H ASN 52 11.396 -6.546 -9.453 362 HA ASN 52 HA ASN 52 8.981 -7.061 -10.961 363 HB2 ASN 52 1HB ASN 52 10.132 -8.836 -9.631 364 HB3 ASN 52 2HB ASN 52 9.698 -7.963 -8.164 365 HD21 ASN 52 1HD2 ASN 52 8.950 -10.631 -9.462 366 HD22 ASN 52 2HD2 ASN 52 7.228 -10.672 -9.327 367 H GLN 53 H GLN 53 7.293 -5.746 -10.899 368 HA GLN 53 HA GLN 53 7.019 -3.781 -8.797 369 HB2 GLN 53 1HB GLN 53 5.585 -4.331 -11.375 370 HB3 GLN 53 2HB GLN 53 4.889 -3.235 -10.188 371 HG2 GLN 53 1HG GLN 53 7.679 -2.902 -11.239 372 HG3 GLN 53 2HG GLN 53 6.272 -2.203 -12.039 373 HE21 GLN 53 1HE2 GLN 53 8.273 -2.149 -9.189 374 HE22 GLN 53 2HE2 GLN 53 7.733 -0.618 -8.596 375 H ASN 54 H ASN 54 5.300 -6.649 -9.934 376 HA ASN 54 HA ASN 54 2.963 -6.660 -8.630 377 HB2 ASN 54 1HB ASN 54 4.953 -8.937 -8.698 378 HB3 ASN 54 2HB ASN 54 3.259 -9.115 -8.247 379 HD21 ASN 54 1HD2 ASN 54 1.712 -8.165 -9.910 380 HD22 ASN 54 2HD2 ASN 54 2.057 -8.534 -11.562 381 H ILE 55 H ILE 55 6.105 -7.181 -7.099 382 HA ILE 55 HA ILE 55 5.120 -7.766 -4.515 383 HB ILE 55 HB ILE 55 7.786 -6.577 -5.290 384 HG12 ILE 55 1HG1 ILE 55 7.073 -9.461 -4.729 385 HG13 ILE 55 2HG1 ILE 55 7.207 -8.782 -6.347 386 HG21 ILE 55 1HG2 ILE 55 8.321 -6.537 -3.136 387 HG22 ILE 55 2HG2 ILE 55 6.640 -6.907 -2.756 388 HG23 ILE 55 3HG2 ILE 55 7.812 -8.213 -2.932 389 HD11 ILE 55 1HD1 ILE 55 9.587 -8.066 -5.211 390 HD12 ILE 55 2HD1 ILE 55 9.280 -9.652 -4.503 391 HD13 ILE 55 3HD1 ILE 55 9.321 -9.462 -6.255 392 H VAL 56 H VAL 56 4.436 -6.496 -2.901 393 HA VAL 56 HA VAL 56 3.987 -3.704 -3.406 394 HB VAL 56 HB VAL 56 3.466 -5.363 -0.936 395 HG11 VAL 56 1HG1 VAL 56 2.852 -2.501 -1.595 396 HG12 VAL 56 2HG1 VAL 56 1.879 -3.411 -0.438 397 HG13 VAL 56 3HG1 VAL 56 3.602 -3.168 -0.145 398 HG21 VAL 56 1HG2 VAL 56 2.157 -5.270 -3.426 399 HG22 VAL 56 2HG2 VAL 56 1.622 -6.074 -1.951 400 HG23 VAL 56 3HG2 VAL 56 1.125 -4.415 -2.280 401 H VAL 57 H VAL 57 5.134 -2.002 -2.721 402 HA VAL 57 HA VAL 57 7.289 -2.476 -0.766 403 HB VAL 57 HB VAL 57 7.415 -0.688 -3.199 404 HG11 VAL 57 1HG1 VAL 57 9.735 -1.273 -1.410 405 HG12 VAL 57 2HG1 VAL 57 9.471 0.091 -2.498 406 HG13 VAL 57 3HG1 VAL 57 8.589 -0.005 -0.974 407 HG21 VAL 57 1HG2 VAL 57 9.105 -2.207 -4.016 408 HG22 VAL 57 2HG2 VAL 57 8.989 -3.179 -2.549 409 HG23 VAL 57 3HG2 VAL 57 7.629 -3.108 -3.670 410 H ARG 58 H ARG 58 6.913 -1.375 1.033 411 HA ARG 58 HA ARG 58 5.130 0.897 1.050 412 HB2 ARG 58 1HB ARG 58 6.551 -0.699 3.154 413 HB3 ARG 58 2HB ARG 58 5.844 0.859 3.561 414 HG2 ARG 58 1HG ARG 58 4.241 -1.286 2.217 415 HG3 ARG 58 2HG ARG 58 4.444 -1.233 3.969 416 HD2 ARG 58 1HD ARG 58 3.716 1.290 3.596 417 HD3 ARG 58 2HD ARG 58 2.954 0.597 2.165 418 HE ARG 58 HE ARG 58 1.439 -0.486 3.520 419 HH11 ARG 58 2HH1 ARG 58 3.994 0.883 5.448 420 HH12 ARG 58 1HH1 ARG 58 3.182 0.608 6.954 421 HH21 ARG 58 2HH2 ARG 58 0.360 -0.854 5.496 422 HH22 ARG 58 1HH2 ARG 58 1.116 -0.381 6.980 423 H GLY 59 H GLY 59 8.576 0.285 1.397 424 HA2 GLY 59 1HA GLY 59 9.346 2.845 0.574 425 HA3 GLY 59 2HA GLY 59 9.331 2.837 2.331 426 H TYR 60 H TYR 60 11.683 3.368 1.605 427 HA TYR 60 HA TYR 60 13.181 0.842 1.733 428 HB2 TYR 60 1HB TYR 60 14.199 3.210 0.178 429 HB3 TYR 60 2HB TYR 60 14.760 1.542 0.128 430 HD1 TYR 60 2HD TYR 60 12.141 3.869 -0.983 431 HD2 TYR 60 1HD TYR 60 13.646 -0.103 -1.234 432 HE1 TYR 60 2HE TYR 60 10.683 3.445 -2.918 433 HE2 TYR 60 1HE TYR 60 12.193 -0.538 -3.170 434 HH TYR 60 HH TYR 60 11.077 1.032 -5.022 435 H ALA 61 H ALA 61 14.960 0.836 3.051 436 HA ALA 61 HA ALA 61 15.321 3.236 4.712 437 HB1 ALA 61 1HB ALA 61 14.607 1.307 5.972 438 HB2 ALA 61 2HB ALA 61 15.932 0.346 5.314 439 HB3 ALA 61 3HB ALA 61 16.275 1.697 6.394 440 H ILE 62 H ILE 62 17.195 4.306 4.682 441 HA ILE 62 HA ILE 62 19.418 3.143 3.152 442 HB ILE 62 HB ILE 62 18.931 6.032 3.887 443 HG12 ILE 62 1HG1 ILE 62 18.831 4.962 1.094 444 HG13 ILE 62 2HG1 ILE 62 17.428 4.753 2.137 445 HG21 ILE 62 1HG2 ILE 62 21.008 4.759 2.110 446 HG22 ILE 62 2HG2 ILE 62 20.738 6.493 2.277 447 HG23 ILE 62 3HG2 ILE 62 21.292 5.551 3.660 448 HD11 ILE 62 1HD1 ILE 62 18.274 7.448 2.342 449 HD12 ILE 62 2HD1 ILE 62 18.192 7.021 0.633 450 HD13 ILE 62 3HD1 ILE 62 16.778 6.807 1.664 451 H GLY 63 H GLY 63 21.537 3.205 3.944 452 HA2 GLY 63 1HA GLY 63 21.873 3.995 6.756 453 HA3 GLY 63 2HA GLY 63 22.290 2.356 6.277 454 H TYR 64 H TYR 64 23.616 5.213 6.991 455 HA TYR 64 HA TYR 64 25.907 4.749 5.200 456 HB2 TYR 64 1HB TYR 64 26.305 7.250 5.346 457 HB3 TYR 64 2HB TYR 64 24.915 6.752 4.389 458 HD1 TYR 64 1HD TYR 64 22.618 6.782 5.575 459 HD2 TYR 64 2HD TYR 64 26.049 8.828 7.040 460 HE1 TYR 64 1HE TYR 64 21.165 8.245 6.916 461 HE2 TYR 64 2HE TYR 64 24.606 10.296 8.386 462 HH TYR 64 HH TYR 64 22.305 10.199 9.390 463 H GLY 65 H GLY 65 27.959 5.718 6.076 464 HA2 GLY 65 1HA GLY 65 28.545 6.600 8.546 465 HA3 GLY 65 2HA GLY 65 28.235 4.896 8.844 466 H ILE 66 H ILE 66 30.659 6.954 8.541 467 HA ILE 66 HA ILE 66 32.406 5.999 6.618 468 HB ILE 66 HB ILE 66 33.164 6.946 9.384 469 HG12 ILE 66 1HG1 ILE 66 33.151 8.683 6.944 470 HG13 ILE 66 2HG1 ILE 66 31.646 8.406 7.813 471 HG21 ILE 66 1HG2 ILE 66 34.714 6.028 7.164 472 HG22 ILE 66 2HG2 ILE 66 35.034 7.740 7.436 473 HG23 ILE 66 3HG2 ILE 66 35.258 6.582 8.747 474 HD11 ILE 66 1HD1 ILE 66 33.736 10.232 8.401 475 HD12 ILE 66 2HD1 ILE 66 32.197 10.003 9.231 476 HD13 ILE 66 3HD1 ILE 66 33.612 9.073 9.724 477 H GLY 67 H GLY 67 32.845 3.912 6.274 478 HA2 GLY 67 1HA GLY 67 34.096 1.974 6.742 479 HA3 GLY 67 2HA GLY 67 34.059 2.390 8.449 480 H SER 68 H SER 68 31.432 2.636 9.012 481 HA SER 68 HA SER 68 30.260 0.053 8.219 482 HB2 SER 68 1HB SER 68 29.339 -0.062 10.578 483 HB3 SER 68 2HB SER 68 31.083 -0.285 10.437 484 HG SER 68 HG SER 68 31.396 1.785 11.171 485 HA PRO 69 HA PRO 69 26.861 2.684 7.091 486 HB2 PRO 69 1HB PRO 69 25.171 0.687 6.367 487 HB3 PRO 69 2HB PRO 69 26.517 1.221 5.353 488 HG2 PRO 69 1HG PRO 69 26.352 -1.133 7.194 489 HG3 PRO 69 2HG PRO 69 27.039 -1.035 5.562 490 HD2 PRO 69 1HD PRO 69 28.571 -0.974 7.794 491 HD3 PRO 69 2HD PRO 69 29.008 -0.101 6.312 492 H HIS 70 H HIS 70 27.013 0.465 9.656 493 HA HIS 70 HA HIS 70 24.278 0.790 10.531 494 HB2 HIS 70 1HB HIS 70 26.644 -0.426 11.971 495 HB3 HIS 70 2HB HIS 70 24.959 -0.547 12.469 496 HD1 HIS 70 1HD HIS 70 23.696 -2.506 11.603 497 HD2 HIS 70 2HD HIS 70 27.143 -1.769 9.404 498 HE1 HIS 70 1HE HIS 70 23.884 -4.422 9.985 499 HE2 HIS 70 2HE HIS 70 26.022 -3.999 8.724 500 H ALA 71 H ALA 71 25.466 3.261 10.198 501 HA ALA 71 HA ALA 71 26.006 4.177 12.941 502 HB1 ALA 71 1HB ALA 71 27.435 5.715 12.130 503 HB2 ALA 71 2HB ALA 71 27.484 4.644 10.730 504 HB3 ALA 71 3HB ALA 71 26.433 6.059 10.721 505 H GLN 72 H GLN 72 24.155 4.973 10.017 506 HA GLN 72 HA GLN 72 22.107 6.184 11.720 507 HB2 GLN 72 1HB GLN 72 23.438 7.514 9.364 508 HB3 GLN 72 2HB GLN 72 21.872 8.025 9.979 509 HG2 GLN 72 1HG GLN 72 23.240 9.469 11.085 510 HG3 GLN 72 2HG GLN 72 23.158 8.155 12.257 511 HE21 GLN 72 1HE2 GLN 72 25.121 8.672 13.184 512 HE22 GLN 72 2HE2 GLN 72 26.628 8.400 12.386 513 H THR 73 H THR 73 20.010 6.198 10.818 514 HA THR 73 HA THR 73 19.678 4.672 8.327 515 HB THR 73 HB THR 73 18.020 4.194 10.809 516 HG1 THR 73 1HG THR 73 19.232 2.373 11.113 517 HG21 THR 73 1HG2 THR 73 16.610 3.460 9.193 518 HG22 THR 73 2HG2 THR 73 17.653 2.038 9.233 519 HG23 THR 73 3HG2 THR 73 17.898 3.278 8.003 520 H ILE 74 H ILE 74 18.401 5.692 6.937 521 HA ILE 74 HA ILE 74 16.406 7.588 7.993 522 HB ILE 74 HB ILE 74 17.985 7.836 5.430 523 HG12 ILE 74 1HG1 ILE 74 18.048 9.543 7.928 524 HG13 ILE 74 2HG1 ILE 74 19.260 8.337 7.509 525 HG21 ILE 74 1HG2 ILE 74 15.656 8.658 5.274 526 HG22 ILE 74 2HG2 ILE 74 15.980 9.744 6.623 527 HG23 ILE 74 3HG2 ILE 74 16.855 9.940 5.105 528 HD11 ILE 74 1HD1 ILE 74 20.340 10.065 6.601 529 HD12 ILE 74 2HD1 ILE 74 19.209 9.865 5.263 530 HD13 ILE 74 3HD1 ILE 74 18.886 11.059 6.519 531 H LYS 75 H LYS 75 14.482 6.642 7.769 532 HA LYS 75 HA LYS 75 13.935 5.032 5.384 533 HB2 LYS 75 1HB LYS 75 12.325 5.354 7.924 534 HB3 LYS 75 2HB LYS 75 11.946 4.256 6.603 535 HG2 LYS 75 1HG LYS 75 13.947 2.984 7.024 536 HG3 LYS 75 2HG LYS 75 14.456 4.135 8.261 537 HD2 LYS 75 1HD LYS 75 12.486 3.565 9.599 538 HD3 LYS 75 2HD LYS 75 11.974 2.418 8.359 539 HE2 LYS 75 1HE LYS 75 14.671 2.209 9.654 540 HE3 LYS 75 2HE LYS 75 13.237 1.525 10.418 541 HZ1 LYS 75 1HZ LYS 75 14.801 0.333 8.505 542 HZ2 LYS 75 2HZ LYS 75 13.402 0.794 7.673 543 HZ3 LYS 75 3HZ LYS 75 13.285 -0.196 9.040 544 H VAL 76 H VAL 76 12.947 5.954 3.724 545 HA VAL 76 HA VAL 76 11.126 8.215 4.247 546 HB VAL 76 HB VAL 76 11.671 9.067 2.013 547 HG11 VAL 76 1HG1 VAL 76 12.923 9.911 3.913 548 HG12 VAL 76 2HG1 VAL 76 14.087 8.595 3.756 549 HG13 VAL 76 3HG1 VAL 76 13.962 9.818 2.491 550 HG21 VAL 76 1HG2 VAL 76 13.083 6.503 1.834 551 HG22 VAL 76 2HG2 VAL 76 12.396 7.512 0.561 552 HG23 VAL 76 3HG2 VAL 76 13.989 7.885 1.219 553 H ASP 77 H ASP 77 9.650 8.534 2.198 554 HA ASP 77 HA ASP 77 7.971 6.250 2.066 555 HB2 ASP 77 1HB ASP 77 7.973 8.938 0.730 556 HB3 ASP 77 2HB ASP 77 6.844 7.691 0.209 557 H TYR 78 H TYR 78 7.121 5.539 -0.189 558 HA TYR 78 HA TYR 78 9.339 4.325 -1.543 559 HB2 TYR 78 1HB TYR 78 7.500 3.376 -3.017 560 HB3 TYR 78 2HB TYR 78 7.404 2.970 -1.307 561 HD1 TYR 78 1HD TYR 78 6.088 5.405 -3.804 562 HD2 TYR 78 2HD TYR 78 5.424 3.340 -0.144 563 HE1 TYR 78 1HE TYR 78 3.792 6.284 -3.733 564 HE2 TYR 78 2HE TYR 78 3.126 4.212 -0.062 565 HH TYR 78 HH TYR 78 1.816 6.035 -0.947 566 H LYS 79 H LYS 79 7.446 7.153 -1.980 567 HA LYS 79 HA LYS 79 8.005 7.427 -4.802 568 HB2 LYS 79 1HB LYS 79 6.517 8.985 -2.749 569 HB3 LYS 79 2HB LYS 79 7.114 9.859 -4.154 570 HG2 LYS 79 1HG LYS 79 5.836 8.533 -5.638 571 HG3 LYS 79 2HG LYS 79 5.449 7.366 -4.371 572 HD2 LYS 79 1HD LYS 79 3.984 8.854 -3.297 573 HD3 LYS 79 2HD LYS 79 4.625 10.248 -4.169 574 HE2 LYS 79 1HE LYS 79 2.702 9.927 -5.349 575 HE3 LYS 79 2HE LYS 79 3.774 8.867 -6.261 576 HZ1 LYS 79 1HZ LYS 79 2.267 7.781 -3.983 577 HZ2 LYS 79 2HZ LYS 79 2.827 6.993 -5.371 578 HZ3 LYS 79 3HZ LYS 79 1.478 8.010 -5.462 579 H GLN 80 H GLN 80 10.327 7.116 -3.203 580 HA GLN 80 HA GLN 80 11.577 9.764 -3.534 581 HB2 GLN 80 1HB GLN 80 12.004 7.647 -1.445 582 HB3 GLN 80 2HB GLN 80 13.261 8.823 -1.809 583 HG2 GLN 80 1HG GLN 80 10.483 9.398 -0.810 584 HG3 GLN 80 2HG GLN 80 11.992 9.567 0.084 585 HE21 GLN 80 1HE2 GLN 80 9.953 10.904 -2.386 586 HE22 GLN 80 2HE2 GLN 80 10.745 12.435 -2.500 587 H ARG 81 H ARG 81 12.818 9.775 -5.282 588 HA ARG 81 HA ARG 81 13.872 7.358 -6.420 589 HB2 ARG 81 1HB ARG 81 13.219 8.972 -8.003 590 HB3 ARG 81 2HB ARG 81 14.042 10.270 -7.148 591 HG2 ARG 81 1HG ARG 81 15.230 9.710 -9.175 592 HG3 ARG 81 2HG ARG 81 16.204 9.293 -7.763 593 HD2 ARG 81 1HD ARG 81 16.006 7.044 -8.120 594 HD3 ARG 81 2HD ARG 81 14.435 7.198 -8.905 595 HE ARG 81 HE ARG 81 17.030 7.335 -10.159 596 HH11 ARG 81 2HH1 ARG 81 13.644 8.099 -10.420 597 HH12 ARG 81 1HH1 ARG 81 13.664 8.189 -12.150 598 HH21 ARG 81 2HH2 ARG 81 17.069 7.451 -12.437 599 HH22 ARG 81 1HH2 ARG 81 15.613 7.819 -13.296 600 H TYR 82 H TYR 82 15.174 10.122 -4.656 601 HA TYR 82 HA TYR 82 17.489 8.568 -3.895 602 HB2 TYR 82 1HB TYR 82 19.152 10.087 -4.749 603 HB3 TYR 82 2HB TYR 82 18.129 9.579 -6.088 604 HD1 TYR 82 2HD TYR 82 16.519 11.151 -7.086 605 HD2 TYR 82 1HD TYR 82 19.198 12.375 -4.015 606 HE1 TYR 82 2HE TYR 82 16.077 13.504 -7.646 607 HE2 TYR 82 1HE TYR 82 18.763 14.732 -4.567 608 HH TYR 82 HH TYR 82 17.331 15.727 -7.381 609 H TYR 83 H TYR 83 18.962 9.953 -2.451 610 HA TYR 83 HA TYR 83 17.426 11.982 -0.991 611 HB2 TYR 83 1HB TYR 83 17.212 9.716 0.107 612 HB3 TYR 83 2HB TYR 83 18.946 9.775 0.404 613 HD1 TYR 83 2HD TYR 83 19.878 11.372 2.011 614 HD2 TYR 83 1HD TYR 83 15.681 11.081 1.377 615 HE1 TYR 83 2HE TYR 83 19.483 12.619 4.093 616 HE2 TYR 83 1HE TYR 83 15.275 12.329 3.457 617 HH TYR 83 HH TYR 83 17.947 13.301 5.568 618 H THR 84 H THR 84 18.619 13.626 -0.130 619 HA THR 84 HA THR 84 21.457 13.667 -0.869 620 HB THR 84 HB THR 84 19.618 15.949 -0.119 621 HG1 THR 84 1HG THR 84 19.120 15.845 -2.166 622 HG21 THR 84 1HG2 THR 84 22.481 15.777 -0.201 623 HG22 THR 84 2HG2 THR 84 21.462 17.157 0.208 624 HG23 THR 84 3HG2 THR 84 21.915 16.862 -1.470 625 H ILE 85 H ILE 85 22.495 12.676 0.812 626 HA ILE 85 HA ILE 85 21.868 13.254 3.554 627 HB ILE 85 HB ILE 85 24.257 11.811 2.397 628 HG12 ILE 85 1HG1 ILE 85 21.758 10.639 3.627 629 HG13 ILE 85 2HG1 ILE 85 21.989 10.825 1.892 630 HG21 ILE 85 1HG2 ILE 85 24.193 10.786 4.772 631 HG22 ILE 85 2HG2 ILE 85 24.907 12.382 4.547 632 HG23 ILE 85 3HG2 ILE 85 23.272 12.230 5.191 633 HD11 ILE 85 1HD1 ILE 85 23.958 9.367 2.021 634 HD12 ILE 85 2HD1 ILE 85 23.664 9.151 3.747 635 HD13 ILE 85 3HD1 ILE 85 22.486 8.567 2.572 636 H GLU 86 H GLU 86 22.729 14.755 4.849 637 HA GLU 86 HA GLU 86 25.113 16.205 3.906 638 HB2 GLU 86 1HB GLU 86 22.708 17.398 5.298 639 HB3 GLU 86 2HB GLU 86 24.164 18.270 4.840 640 HG2 GLU 86 1HG GLU 86 23.672 17.646 2.462 641 HG3 GLU 86 2HG GLU 86 22.115 17.038 3.021 642 H ASN 87 H ASN 87 25.776 17.743 5.929 643 HA ASN 87 HA ASN 87 26.605 17.872 8.055 644 HB2 ASN 87 1HB ASN 87 25.286 15.339 8.921 645 HB3 ASN 87 2HB ASN 87 25.502 16.850 9.801 646 HD21 ASN 87 1HD2 ASN 87 24.490 18.517 7.688 647 HD22 ASN 87 2HD2 ASN 87 22.780 18.277 7.638 648 H LEU 88 H LEU 88 27.854 16.407 5.883 649 HA LEU 88 HA LEU 88 29.379 14.388 7.388 650 HB2 LEU 88 1HB LEU 88 29.182 14.728 4.400 651 HB3 LEU 88 2HB LEU 88 29.996 13.422 5.259 652 HG LEU 88 HG LEU 88 27.021 13.922 5.314 653 HD11 LEU 88 1HD1 LEU 88 26.745 12.249 3.715 654 HD12 LEU 88 2HD1 LEU 88 28.403 11.675 3.889 655 HD13 LEU 88 3HD1 LEU 88 28.082 13.214 3.090 656 HD21 LEU 88 1HD2 LEU 88 26.810 12.011 6.583 657 HD22 LEU 88 2HD2 LEU 88 28.290 12.708 7.242 658 HD23 LEU 88 3HD2 LEU 88 28.379 11.377 6.087 659 H ASP 89 H ASP 89 31.695 14.167 6.338 660 HA ASP 89 HA ASP 89 32.830 16.879 6.122 661 HB2 ASP 89 1HB ASP 89 33.576 16.192 8.218 662 HB3 ASP 89 2HB ASP 89 33.733 14.509 7.721 663 HA PRO 90 HA PRO 90 34.509 15.535 2.275 664 HB2 PRO 90 1HB PRO 90 36.429 17.435 1.998 665 HB3 PRO 90 2HB PRO 90 34.709 17.767 1.764 666 HG2 PRO 90 1HG PRO 90 36.433 18.294 4.154 667 HG3 PRO 90 2HG PRO 90 35.205 19.334 3.409 668 HD2 PRO 90 1HD PRO 90 34.719 17.872 5.636 669 HD3 PRO 90 2HD PRO 90 33.463 18.224 4.431 670 H SER 91 H SER 91 36.378 14.574 1.375 671 HA SER 91 HA SER 91 38.305 13.360 1.362 672 HB2 SER 91 1HB SER 91 39.312 15.488 2.224 673 HB3 SER 91 2HB SER 91 39.060 14.887 3.863 674 HG SER 91 HG SER 91 41.181 14.506 2.626 675 H SER 92 H SER 92 36.179 12.060 2.318 676 HA SER 92 HA SER 92 37.370 10.230 4.224 677 HB2 SER 92 1HB SER 92 36.182 11.917 5.631 678 HB3 SER 92 2HB SER 92 34.680 11.484 4.816 679 HG SER 92 HG SER 92 34.578 9.700 5.944 680 H HIS 93 H HIS 93 36.315 8.182 4.301 681 HA HIS 93 HA HIS 93 34.758 7.640 1.877 682 HB2 HIS 93 1HB HIS 93 36.701 6.275 1.992 683 HB3 HIS 93 2HB HIS 93 36.410 5.877 3.683 684 HD1 HIS 93 1HD HIS 93 36.114 3.399 3.562 685 HD2 HIS 93 2HD HIS 93 33.790 5.409 0.766 686 HE1 HIS 93 1HE HIS 93 34.637 1.645 2.530 687 HE2 HIS 93 2HE HIS 93 33.300 2.870 0.782 688 H TYR 94 H TYR 94 32.690 7.015 1.947 689 HA TYR 94 HA TYR 94 31.556 6.276 4.564 690 HB2 TYR 94 1HB TYR 94 30.488 8.134 2.457 691 HB3 TYR 94 2HB TYR 94 29.402 7.336 3.590 692 HD1 TYR 94 2HD TYR 94 32.227 9.703 3.317 693 HD2 TYR 94 1HD TYR 94 29.207 8.083 5.837 694 HE1 TYR 94 2HE TYR 94 32.678 11.461 4.977 695 HE2 TYR 94 1HE TYR 94 29.648 9.837 7.504 696 HH TYR 94 HH TYR 94 32.291 12.142 7.089 697 H VAL 95 H VAL 95 29.925 4.717 4.580 698 HA VAL 95 HA VAL 95 29.696 3.158 2.089 699 HB VAL 95 HB VAL 95 29.511 2.182 4.943 700 HG11 VAL 95 1HG1 VAL 95 28.229 1.111 2.795 701 HG12 VAL 95 2HG1 VAL 95 29.758 0.231 2.769 702 HG13 VAL 95 3HG1 VAL 95 28.747 0.201 4.214 703 HG21 VAL 95 1HG2 VAL 95 31.748 2.644 3.273 704 HG22 VAL 95 2HG2 VAL 95 31.710 1.879 4.861 705 HG23 VAL 95 3HG2 VAL 95 31.537 0.898 3.405 706 H ILE 96 H ILE 96 27.810 3.737 1.182 707 HA ILE 96 HA ILE 96 25.454 4.147 2.853 708 HB ILE 96 HB ILE 96 25.836 4.528 -0.119 709 HG12 ILE 96 1HG1 ILE 96 25.423 6.985 0.706 710 HG13 ILE 96 2HG1 ILE 96 25.960 6.351 2.257 711 HG21 ILE 96 1HG2 ILE 96 23.584 5.924 0.931 712 HG22 ILE 96 2HG2 ILE 96 23.634 4.685 -0.322 713 HG23 ILE 96 3HG2 ILE 96 23.457 4.220 1.370 714 HD11 ILE 96 1HD1 ILE 96 27.646 7.442 0.583 715 HD12 ILE 96 2HD1 ILE 96 28.103 6.029 1.535 716 HD13 ILE 96 3HD1 ILE 96 27.625 5.839 -0.151 717 H THR 97 H THR 97 23.677 2.855 2.851 718 HA THR 97 HA THR 97 23.675 0.514 1.073 719 HB THR 97 HB THR 97 22.844 -0.881 2.965 720 HG1 THR 97 1HG THR 97 22.813 1.496 4.206 721 HG21 THR 97 1HG2 THR 97 25.427 0.032 4.015 722 HG22 THR 97 2HG2 THR 97 25.419 -0.289 2.281 723 HG23 THR 97 3HG2 THR 97 24.944 -1.554 3.414 724 H LEU 98 H LEU 98 21.597 -0.428 0.707 725 HA LEU 98 HA LEU 98 19.280 1.103 1.613 726 HB2 LEU 98 1HB LEU 98 19.736 2.213 -0.415 727 HB3 LEU 98 2HB LEU 98 20.098 0.704 -1.249 728 HG LEU 98 HG LEU 98 17.544 0.228 -0.700 729 HD11 LEU 98 1HD1 LEU 98 17.027 2.190 0.513 730 HD12 LEU 98 2HD1 LEU 98 16.289 2.380 -1.077 731 HD13 LEU 98 3HD1 LEU 98 17.788 3.225 -0.695 732 HD21 LEU 98 1HD2 LEU 98 18.423 0.157 -2.917 733 HD22 LEU 98 2HD2 LEU 98 18.635 1.908 -2.951 734 HD23 LEU 98 3HD2 LEU 98 17.012 1.216 -2.936 735 H LYS 99 H LYS 99 17.502 -0.120 1.941 736 HA LYS 99 HA LYS 99 17.358 -2.791 0.763 737 HB2 LYS 99 1HB LYS 99 16.959 -3.879 2.873 738 HB3 LYS 99 2HB LYS 99 18.484 -3.009 2.975 739 HG2 LYS 99 1HG LYS 99 17.522 -1.299 4.304 740 HG3 LYS 99 2HG LYS 99 15.887 -1.891 3.997 741 HD2 LYS 99 1HD LYS 99 16.339 -2.691 6.131 742 HD3 LYS 99 2HD LYS 99 16.723 -4.074 5.104 743 HE2 LYS 99 1HE LYS 99 19.029 -3.747 5.331 744 HE3 LYS 99 2HE LYS 99 18.828 -2.092 5.904 745 HZ1 LYS 99 1HZ LYS 99 18.787 -2.822 7.978 746 HZ2 LYS 99 2HZ LYS 99 19.086 -4.395 7.432 747 HZ3 LYS 99 3HZ LYS 99 17.495 -3.862 7.645 748 H ALA 100 H ALA 100 15.328 -3.404 0.253 749 HA ALA 100 HA ALA 100 13.207 -1.471 0.634 750 HB1 ALA 100 1HB ALA 100 12.629 -4.062 -0.666 751 HB2 ALA 100 2HB ALA 100 12.187 -2.424 -1.149 752 HB3 ALA 100 3HB ALA 100 13.816 -3.025 -1.456 753 H PHE 101 H PHE 101 11.538 -1.627 2.010 754 HA PHE 101 HA PHE 101 11.087 -4.179 3.393 755 HB2 PHE 101 1HB PHE 101 10.882 -3.074 5.529 756 HB3 PHE 101 2HB PHE 101 12.441 -2.651 4.828 757 HD1 PHE 101 2HD PHE 101 12.824 -0.402 3.922 758 HD2 PHE 101 1HD PHE 101 9.201 -1.430 5.905 759 HE1 PHE 101 2HE PHE 101 12.296 1.986 4.188 760 HE2 PHE 101 1HE PHE 101 8.666 0.957 6.173 761 HZ PHE 101 HZ PHE 101 10.215 2.668 5.316 762 H ASN 102 H ASN 102 9.002 -4.749 3.588 763 HA ASN 102 HA ASN 102 6.943 -2.702 3.121 764 HB2 ASN 102 1HB ASN 102 5.763 -4.062 1.590 765 HB3 ASN 102 2HB ASN 102 7.445 -4.156 1.078 766 HD21 ASN 102 1HD2 ASN 102 5.833 -6.054 0.179 767 HD22 ASN 102 2HD2 ASN 102 6.112 -7.557 0.985 768 H ASN 103 H ASN 103 4.677 -3.929 3.500 769 HA ASN 103 HA ASN 103 4.373 -4.274 6.203 770 HB2 ASN 103 1HB ASN 103 2.708 -5.578 4.037 771 HB3 ASN 103 2HB ASN 103 2.208 -5.322 5.706 772 HD21 ASN 103 1HD2 ASN 103 1.296 -4.320 2.986 773 HD22 ASN 103 2HD2 ASN 103 1.149 -2.612 3.206 774 H VAL 104 H VAL 104 5.044 -6.743 3.767 775 HA VAL 104 HA VAL 104 4.770 -9.004 5.403 776 HB VAL 104 HB VAL 104 6.686 -8.696 3.089 777 HG11 VAL 104 1HG1 VAL 104 7.163 -10.708 4.226 778 HG12 VAL 104 2HG1 VAL 104 5.452 -11.074 4.455 779 HG13 VAL 104 3HG1 VAL 104 6.166 -11.163 2.845 780 HG21 VAL 104 1HG2 VAL 104 4.886 -9.478 1.662 781 HG22 VAL 104 2HG2 VAL 104 3.792 -9.551 3.043 782 HG23 VAL 104 3HG2 VAL 104 4.405 -7.994 2.485 783 H GLY 105 H GLY 105 7.671 -7.102 4.586 784 HA2 GLY 105 1HA GLY 105 8.860 -7.137 7.064 785 HA3 GLY 105 2HA GLY 105 9.381 -8.630 6.298 786 H GLU 106 H GLU 106 11.545 -7.790 6.437 787 HA GLU 106 HA GLU 106 12.127 -5.635 4.524 788 HB2 GLU 106 1HB GLU 106 13.866 -6.774 6.720 789 HB3 GLU 106 2HB GLU 106 14.301 -5.444 5.656 790 HG2 GLU 106 1HG GLU 106 12.633 -4.038 6.597 791 HG3 GLU 106 2HG GLU 106 11.925 -5.379 7.495 792 H GLY 107 H GLY 107 13.993 -5.873 3.125 793 HA2 GLY 107 1HA GLY 107 14.344 -8.682 2.302 794 HA3 GLY 107 2HA GLY 107 14.496 -7.292 1.238 795 H ILE 108 H ILE 108 16.548 -7.736 0.515 796 HA ILE 108 HA ILE 108 18.680 -7.869 2.534 797 HB ILE 108 HB ILE 108 20.011 -8.388 0.273 798 HG12 ILE 108 1HG1 ILE 108 17.737 -8.130 -0.946 799 HG13 ILE 108 2HG1 ILE 108 18.767 -9.493 -1.369 800 HG21 ILE 108 1HG2 ILE 108 19.810 -9.767 2.349 801 HG22 ILE 108 2HG2 ILE 108 18.358 -10.489 1.658 802 HG23 ILE 108 3HG2 ILE 108 19.915 -10.701 0.857 803 HD11 ILE 108 1HD1 ILE 108 16.219 -9.832 -0.972 804 HD12 ILE 108 2HD1 ILE 108 17.377 -11.021 -0.375 805 HD13 ILE 108 3HD1 ILE 108 16.683 -9.835 0.730 806 HA PRO 109 HA PRO 109 19.658 -3.660 1.500 807 HB2 PRO 109 1HB PRO 109 21.919 -3.505 2.994 808 HB3 PRO 109 2HB PRO 109 20.298 -3.439 3.695 809 HG2 PRO 109 1HG PRO 109 22.190 -5.752 3.513 810 HG3 PRO 109 2HG PRO 109 21.177 -5.240 4.875 811 HD2 PRO 109 1HD PRO 109 20.488 -7.280 3.234 812 HD3 PRO 109 2HD PRO 109 19.285 -6.224 4.001 813 H LEU 110 H LEU 110 21.593 -2.464 0.673 814 HA LEU 110 HA LEU 110 23.231 -4.212 -1.043 815 HB2 LEU 110 1HB LEU 110 22.005 -1.522 -1.556 816 HB3 LEU 110 2HB LEU 110 23.366 -2.111 -2.508 817 HG LEU 110 HG LEU 110 20.720 -3.541 -2.282 818 HD11 LEU 110 1HD1 LEU 110 20.350 -1.416 -3.356 819 HD12 LEU 110 2HD1 LEU 110 20.312 -2.698 -4.567 820 HD13 LEU 110 3HD1 LEU 110 21.737 -1.671 -4.416 821 HD21 LEU 110 1HD2 LEU 110 22.157 -5.172 -2.975 822 HD22 LEU 110 2HD2 LEU 110 23.276 -4.029 -3.717 823 HD23 LEU 110 3HD2 LEU 110 21.769 -4.445 -4.534 824 H TYR 111 H TYR 111 25.315 -3.164 -1.745 825 HA TYR 111 HA TYR 111 26.452 -1.544 0.437 826 HB2 TYR 111 1HB TYR 111 27.474 -4.047 -0.837 827 HB3 TYR 111 2HB TYR 111 28.635 -2.848 -0.280 828 HD1 TYR 111 2HD TYR 111 25.514 -4.467 1.008 829 HD2 TYR 111 1HD TYR 111 29.495 -3.203 1.823 830 HE1 TYR 111 2HE TYR 111 25.321 -5.351 3.295 831 HE2 TYR 111 1HE TYR 111 29.313 -4.086 4.111 832 HH TYR 111 HH TYR 111 26.555 -5.977 5.137 833 H GLU 112 H GLU 112 27.374 0.291 -0.193 834 HA GLU 112 HA GLU 112 28.399 0.504 -2.937 835 HB2 GLU 112 1HB GLU 112 26.315 2.168 -1.620 836 HB3 GLU 112 2HB GLU 112 27.481 2.995 -2.642 837 HG2 GLU 112 1HG GLU 112 25.560 0.824 -3.422 838 HG3 GLU 112 2HG GLU 112 25.604 2.493 -3.987 839 H SER 113 H SER 113 29.603 2.726 -3.138 840 HA SER 113 HA SER 113 31.027 3.386 -0.669 841 HB2 SER 113 1HB SER 113 33.213 3.248 -1.917 842 HB3 SER 113 2HB SER 113 32.443 1.691 -1.613 843 HG SER 113 HG SER 113 31.915 3.043 -4.014 844 H ALA 114 H ALA 114 31.518 5.496 -0.498 845 HA ALA 114 HA ALA 114 31.687 7.173 -2.867 846 HB1 ALA 114 1HB ALA 114 29.939 8.640 -2.333 847 HB2 ALA 114 2HB ALA 114 29.251 7.029 -2.121 848 HB3 ALA 114 3HB ALA 114 29.751 7.966 -0.714 849 H VAL 115 H VAL 115 33.523 8.242 -2.569 850 HA VAL 115 HA VAL 115 34.358 8.958 0.146 851 HB VAL 115 HB VAL 115 35.912 9.030 -2.445 852 HG11 VAL 115 1HG1 VAL 115 36.656 9.719 0.381 853 HG12 VAL 115 2HG1 VAL 115 37.866 9.243 -0.812 854 HG13 VAL 115 3HG1 VAL 115 36.874 10.677 -1.082 855 HG21 VAL 115 1HG2 VAL 115 36.191 7.144 -0.110 856 HG22 VAL 115 2HG2 VAL 115 35.313 6.764 -1.591 857 HG23 VAL 115 3HG2 VAL 115 37.048 7.075 -1.650 858 H THR 116 H THR 116 33.572 10.864 0.785 859 HA THR 116 HA THR 116 32.583 12.939 -0.672 860 HB THR 116 HB THR 116 33.186 14.444 1.223 861 HG1 THR 116 1HG THR 116 34.123 13.017 3.054 862 HG21 THR 116 1HG2 THR 116 31.894 11.781 1.669 863 HG22 THR 116 2HG2 THR 116 31.159 13.383 1.586 864 HG23 THR 116 3HG2 THR 116 32.078 12.907 3.014 865 H ARG 117 H ARG 117 33.356 14.838 -1.578 866 HA ARG 117 HA ARG 117 35.836 14.716 -2.883 867 HB2 ARG 117 1HB ARG 117 33.797 16.872 -2.468 868 HB3 ARG 117 2HB ARG 117 35.344 17.269 -3.203 869 HG2 ARG 117 1HG ARG 117 34.896 16.110 -5.114 870 HG3 ARG 117 2HG ARG 117 33.824 14.968 -4.301 871 HD2 ARG 117 1HD ARG 117 32.025 16.432 -4.341 872 HD3 ARG 117 2HD ARG 117 33.056 17.848 -4.539 873 HE ARG 117 HE ARG 117 33.493 16.545 -6.829 874 HH11 ARG 117 2HH1 ARG 117 30.542 17.318 -5.151 875 HH12 ARG 117 1HH1 ARG 117 29.594 17.422 -6.598 876 HH21 ARG 117 2HH2 ARG 117 32.255 16.679 -8.740 877 HH22 ARG 117 1HH2 ARG 117 30.569 17.058 -8.639 878 HA PRO 118 HA PRO 118 38.766 16.334 -0.046 879 HB2 PRO 118 1HB PRO 118 40.363 17.810 -1.673 880 HB3 PRO 118 2HB PRO 118 40.352 16.043 -1.683 881 HG2 PRO 118 1HG PRO 118 38.983 17.956 -3.534 882 HG3 PRO 118 2HG PRO 118 39.863 16.464 -3.917 883 HD2 PRO 118 1HD PRO 118 37.159 16.575 -3.809 884 HD3 PRO 118 2HD PRO 118 38.074 15.119 -3.365 885 H HIS 119 H HIS 119 36.507 18.300 -1.527 886 HA HIS 119 HA HIS 119 35.779 20.440 -1.225 887 HB2 HIS 119 1HB HIS 119 35.383 19.603 1.026 888 HB3 HIS 119 2HB HIS 119 37.046 19.961 1.480 889 HD1 HIS 119 1HD HIS 119 34.730 22.297 -0.389 890 HD2 HIS 119 2HD HIS 119 36.581 21.938 3.314 891 HE1 HIS 119 1HE HIS 119 34.290 24.470 0.797 892 HE2 HIS 119 2HE HIS 119 35.491 24.263 3.001 893 H THR 120 H THR 120 38.077 20.404 -2.677 894 HA THR 120 HA THR 120 39.598 22.699 -1.621 895 HB THR 120 HB THR 120 41.020 20.723 -1.821 896 HG1 THR 120 1HG THR 120 41.667 22.985 -2.564 897 HG21 THR 120 1HG2 THR 120 41.110 19.351 -3.620 898 HG22 THR 120 2HG2 THR 120 40.894 20.671 -4.770 899 HG23 THR 120 3HG2 THR 120 39.498 19.997 -3.928 900 H SER 121 H SER 121 38.680 24.435 -2.558 901 HA SER 121 HA SER 121 38.390 24.397 -5.492 902 HB2 SER 121 1HB SER 121 36.598 26.103 -5.198 903 HB3 SER 121 2HB SER 121 36.198 24.552 -4.458 904 HG SER 121 HG SER 121 37.474 26.030 -2.656 905 H GLY 122 H GLY 122 39.331 26.003 -6.643 906 HA2 GLY 122 1HA GLY 122 40.731 28.095 -5.093 907 HA3 GLY 122 2HA GLY 122 41.424 27.327 -6.513 908 HA PRO 123 HA PRO 123 39.879 30.678 -8.898 909 HB2 PRO 123 1HB PRO 123 39.894 29.509 -11.348 910 HB3 PRO 123 2HB PRO 123 41.369 30.018 -10.517 911 HG2 PRO 123 1HG PRO 123 40.150 27.291 -10.713 912 HG3 PRO 123 2HG PRO 123 41.852 27.769 -10.859 913 HD2 PRO 123 1HD PRO 123 40.827 26.703 -8.590 914 HD3 PRO 123 2HD PRO 123 42.142 27.895 -8.576 915 H SER 124 H SER 124 37.803 31.251 -8.667 916 HA SER 124 HA SER 124 35.597 29.533 -8.772 917 HB2 SER 124 1HB SER 124 35.575 31.757 -7.681 918 HB3 SER 124 2HB SER 124 35.634 32.521 -9.270 919 HG SER 124 HG SER 124 33.564 32.258 -9.394 920 H SER 125 H SER 125 36.993 31.651 -11.245 921 HA SER 125 HA SER 125 35.555 30.102 -13.280 922 HB2 SER 125 1HB SER 125 35.680 33.119 -13.107 923 HB3 SER 125 2HB SER 125 35.174 32.242 -14.552 924 HG SER 125 HG SER 125 33.344 31.692 -13.600 925 H GLY 126 H GLY 126 36.483 30.416 -15.480 926 HA2 GLY 126 1HA GLY 126 39.400 30.471 -15.271 927 HA3 GLY 126 2HA GLY 126 38.468 29.822 -16.612 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -47.091 -1.115 -21.010 2 HA2 GLY 1 1HA GLY 1 -44.590 -1.961 -19.889 3 HA3 GLY 1 2HA GLY 1 -45.391 -3.250 -20.776 4 H SER 2 H SER 2 -42.867 -1.963 -21.382 5 HA SER 2 HA SER 2 -43.539 -0.937 -24.058 6 HB2 SER 2 1HB SER 2 -41.565 0.566 -23.905 7 HB3 SER 2 2HB SER 2 -42.805 0.953 -22.712 8 HG SER 2 HG SER 2 -40.326 0.565 -22.196 9 H SER 3 H SER 3 -41.393 -2.783 -22.017 10 HA SER 3 HA SER 3 -39.597 -4.137 -22.485 11 HB2 SER 3 1HB SER 3 -41.683 -4.881 -24.530 12 HB3 SER 3 2HB SER 3 -40.172 -5.777 -24.380 13 HG SER 3 HG SER 3 -42.388 -5.928 -22.865 14 H GLY 4 H GLY 4 -38.890 -1.712 -23.346 15 HA2 GLY 4 1HA GLY 4 -37.504 -2.304 -25.879 16 HA3 GLY 4 2HA GLY 4 -38.314 -0.760 -25.657 17 H SER 5 H SER 5 -35.620 -0.910 -26.271 18 HA SER 5 HA SER 5 -34.491 0.709 -24.259 19 HB2 SER 5 1HB SER 5 -34.275 -1.427 -23.051 20 HB3 SER 5 2HB SER 5 -33.370 -2.101 -24.406 21 HG SER 5 HG SER 5 -32.606 -0.132 -22.553 22 H SER 6 H SER 6 -32.179 1.233 -24.728 23 HA SER 6 HA SER 6 -31.417 0.661 -27.504 24 HB2 SER 6 1HB SER 6 -32.641 2.900 -27.247 25 HB3 SER 6 2HB SER 6 -31.217 3.445 -26.360 26 HG SER 6 HG SER 6 -30.864 3.987 -28.461 27 H GLY 7 H GLY 7 -29.138 1.827 -27.862 28 HA2 GLY 7 1HA GLY 7 -27.475 1.540 -25.467 29 HA3 GLY 7 2HA GLY 7 -27.124 0.499 -26.839 30 HA PRO 8 HA PRO 8 -26.132 5.113 -28.038 31 HB2 PRO 8 1HB PRO 8 -25.594 6.715 -25.914 32 HB3 PRO 8 2HB PRO 8 -27.208 6.563 -26.618 33 HG2 PRO 8 1HG PRO 8 -26.068 5.236 -24.188 34 HG3 PRO 8 2HG PRO 8 -27.667 5.968 -24.418 35 HD2 PRO 8 1HD PRO 8 -27.257 3.294 -24.542 36 HD3 PRO 8 2HD PRO 8 -28.496 4.116 -25.511 37 H ALA 9 H ALA 9 -24.057 6.499 -27.622 38 HA ALA 9 HA ALA 9 -21.873 4.641 -27.399 39 HB1 ALA 9 1HB ALA 9 -21.819 6.351 -29.112 40 HB2 ALA 9 2HB ALA 9 -21.886 7.617 -27.885 41 HB3 ALA 9 3HB ALA 9 -20.470 6.572 -27.997 42 H THR 10 H THR 10 -19.875 5.342 -26.143 43 HA THR 10 HA THR 10 -20.092 6.953 -23.841 44 HB THR 10 HB THR 10 -21.619 5.189 -23.064 45 HG1 THR 10 1HG THR 10 -20.612 4.941 -21.081 46 HG21 THR 10 1HG2 THR 10 -20.905 3.245 -24.197 47 HG22 THR 10 2HG2 THR 10 -20.539 2.951 -22.497 48 HG23 THR 10 3HG2 THR 10 -19.251 3.414 -23.609 49 H ASP 11 H ASP 11 -18.129 7.224 -22.843 50 HA ASP 11 HA ASP 11 -15.868 5.909 -24.141 51 HB2 ASP 11 1HB ASP 11 -14.510 7.686 -23.263 52 HB3 ASP 11 2HB ASP 11 -15.966 8.407 -23.944 53 H TRP 12 H TRP 12 -14.988 4.186 -23.229 54 HA TRP 12 HA TRP 12 -15.263 3.819 -20.327 55 HB2 TRP 12 1HB TRP 12 -14.556 1.419 -20.927 56 HB3 TRP 12 2HB TRP 12 -16.169 1.939 -21.404 57 HD1 TRP 12 HD TRP 12 -12.675 1.357 -22.942 58 HE1 TRP 12 1HE TRP 12 -12.977 0.849 -25.447 59 HE3 TRP 12 3HE TRP 12 -17.712 2.141 -23.327 60 HZ2 TRP 12 2HZ TRP 12 -15.073 0.790 -27.337 61 HZ3 TRP 12 3HZ TRP 12 -18.788 1.838 -25.519 62 HH2 TRP 12 HH TRP 12 -17.495 1.177 -27.481 63 H LEU 13 H LEU 13 -13.345 5.639 -21.140 64 HA LEU 13 HA LEU 13 -10.774 4.308 -21.226 65 HB2 LEU 13 1HB LEU 13 -11.624 7.190 -21.189 66 HB3 LEU 13 2HB LEU 13 -9.933 6.706 -21.079 67 HG LEU 13 HG LEU 13 -11.575 5.726 -23.370 68 HD11 LEU 13 1HD1 LEU 13 -11.886 7.719 -24.286 69 HD12 LEU 13 2HD1 LEU 13 -10.188 8.138 -24.058 70 HD13 LEU 13 3HD1 LEU 13 -11.355 8.457 -22.774 71 HD21 LEU 13 1HD2 LEU 13 -9.582 5.241 -24.296 72 HD22 LEU 13 2HD2 LEU 13 -9.009 5.313 -22.629 73 HD23 LEU 13 3HD2 LEU 13 -8.822 6.712 -23.688 74 H SER 14 H SER 14 -12.497 3.929 -18.884 75 HA SER 14 HA SER 14 -11.278 5.424 -16.737 76 HB2 SER 14 1HB SER 14 -13.369 3.280 -16.912 77 HB3 SER 14 2HB SER 14 -12.625 3.651 -15.357 78 HG SER 14 HG SER 14 -14.307 5.013 -15.446 79 H ALA 15 H ALA 15 -9.344 4.091 -18.217 80 HA ALA 15 HA ALA 15 -8.599 1.728 -16.672 81 HB1 ALA 15 1HB ALA 15 -6.750 1.544 -18.331 82 HB2 ALA 15 2HB ALA 15 -8.363 1.493 -19.042 83 HB3 ALA 15 3HB ALA 15 -7.402 2.968 -19.143 84 H GLU 16 H GLU 16 -8.552 3.840 -15.028 85 HA GLU 16 HA GLU 16 -5.679 4.411 -14.725 86 HB2 GLU 16 1HB GLU 16 -8.019 6.245 -14.205 87 HB3 GLU 16 2HB GLU 16 -6.397 6.560 -13.606 88 HG2 GLU 16 1HG GLU 16 -7.085 6.211 -16.513 89 HG3 GLU 16 2HG GLU 16 -6.979 7.769 -15.696 90 H THR 17 H THR 17 -6.732 2.170 -13.604 91 HA THR 17 HA THR 17 -6.497 2.781 -10.762 92 HB THR 17 HB THR 17 -8.396 1.339 -10.155 93 HG1 THR 17 1HG THR 17 -9.814 0.634 -11.776 94 HG21 THR 17 1HG2 THR 17 -10.228 2.875 -11.142 95 HG22 THR 17 2HG2 THR 17 -8.883 3.751 -11.871 96 HG23 THR 17 3HG2 THR 17 -8.987 3.595 -10.118 97 H PHE 18 H PHE 18 -6.436 0.635 -9.484 98 HA PHE 18 HA PHE 18 -4.997 -1.395 -11.060 99 HB2 PHE 18 1HB PHE 18 -3.324 -1.604 -9.435 100 HB3 PHE 18 2HB PHE 18 -3.579 0.135 -9.536 101 HD1 PHE 18 1HD PHE 18 -5.456 1.024 -7.863 102 HD2 PHE 18 2HD PHE 18 -3.174 -2.532 -7.348 103 HE1 PHE 18 1HE PHE 18 -5.887 1.103 -5.442 104 HE2 PHE 18 2HE PHE 18 -3.601 -2.459 -4.926 105 HZ PHE 18 HZ PHE 18 -4.960 -0.641 -3.970 106 H GLU 19 H GLU 19 -4.785 -3.498 -9.745 107 HA GLU 19 HA GLU 19 -7.409 -4.064 -8.538 108 HB2 GLU 19 1HB GLU 19 -7.174 -6.339 -9.301 109 HB3 GLU 19 2HB GLU 19 -6.898 -5.256 -10.657 110 HG2 GLU 19 1HG GLU 19 -4.409 -5.510 -10.097 111 HG3 GLU 19 2HG GLU 19 -4.914 -6.897 -9.135 112 H SER 20 H SER 20 -7.443 -5.765 -6.872 113 HA SER 20 HA SER 20 -5.276 -5.334 -4.984 114 HB2 SER 20 1HB SER 20 -7.734 -5.215 -4.357 115 HB3 SER 20 2HB SER 20 -7.779 -6.968 -4.545 116 HG SER 20 HG SER 20 -7.371 -6.271 -2.372 117 H ASP 21 H ASP 21 -4.403 -6.796 -7.135 118 HA ASP 21 HA ASP 21 -4.210 -9.540 -6.080 119 HB2 ASP 21 1HB ASP 21 -3.968 -10.361 -8.254 120 HB3 ASP 21 2HB ASP 21 -5.168 -9.085 -8.445 121 H LEU 22 H LEU 22 -2.641 -7.575 -4.927 122 HA LEU 22 HA LEU 22 0.002 -7.792 -6.148 123 HB2 LEU 22 1HB LEU 22 -1.171 -6.130 -3.956 124 HB3 LEU 22 2HB LEU 22 0.576 -6.322 -4.085 125 HG LEU 22 HG LEU 22 -0.232 -4.234 -5.105 126 HD11 LEU 22 1HD1 LEU 22 1.385 -6.257 -6.377 127 HD12 LEU 22 2HD1 LEU 22 1.626 -4.513 -6.286 128 HD13 LEU 22 3HD1 LEU 22 0.626 -5.199 -7.567 129 HD21 LEU 22 1HD2 LEU 22 -2.344 -5.713 -5.986 130 HD22 LEU 22 2HD2 LEU 22 -1.374 -5.565 -7.452 131 HD23 LEU 22 3HD2 LEU 22 -1.904 -4.117 -6.594 132 H ASP 23 H ASP 23 1.841 -8.087 -4.476 133 HA ASP 23 HA ASP 23 1.133 -10.307 -2.671 134 HB2 ASP 23 1HB ASP 23 2.521 -10.732 -4.890 135 HB3 ASP 23 2HB ASP 23 3.855 -10.163 -3.889 136 H GLU 24 H GLU 24 1.042 -9.051 -0.823 137 HA GLU 24 HA GLU 24 3.373 -7.442 -0.116 138 HB2 GLU 24 1HB GLU 24 1.109 -6.501 0.212 139 HB3 GLU 24 2HB GLU 24 0.749 -7.797 1.344 140 HG2 GLU 24 1HG GLU 24 2.585 -6.999 2.787 141 HG3 GLU 24 2HG GLU 24 2.835 -5.653 1.676 142 H THR 25 H THR 25 1.550 -10.245 1.028 143 HA THR 25 HA THR 25 2.588 -10.842 3.427 144 HB THR 25 HB THR 25 2.534 -13.259 2.821 145 HG1 THR 25 1HG THR 25 2.444 -13.862 0.770 146 HG21 THR 25 1HG2 THR 25 0.185 -13.368 2.478 147 HG22 THR 25 2HG2 THR 25 0.160 -11.798 1.675 148 HG23 THR 25 3HG2 THR 25 0.485 -11.899 3.405 149 H ARG 26 H ARG 26 4.347 -10.857 0.418 150 HA ARG 26 HA ARG 26 6.727 -11.918 1.771 151 HB2 ARG 26 1HB ARG 26 7.660 -12.158 -0.513 152 HB3 ARG 26 2HB ARG 26 6.175 -13.070 -0.281 153 HG2 ARG 26 1HG ARG 26 4.912 -11.396 -1.476 154 HG3 ARG 26 2HG ARG 26 6.348 -10.382 -1.625 155 HD2 ARG 26 1HD ARG 26 6.075 -11.503 -3.700 156 HD3 ARG 26 2HD ARG 26 7.429 -12.273 -2.874 157 HE ARG 26 HE ARG 26 4.849 -13.446 -3.472 158 HH11 ARG 26 2HH1 ARG 26 7.811 -13.665 -1.655 159 HH12 ARG 26 1HH1 ARG 26 7.663 -15.367 -1.370 160 HH21 ARG 26 2HH2 ARG 26 4.644 -15.688 -3.104 161 HH22 ARG 26 1HH2 ARG 26 5.862 -16.517 -2.195 162 H VAL 27 H VAL 27 8.630 -10.771 1.876 163 HA VAL 27 HA VAL 27 8.374 -7.899 1.696 164 HB VAL 27 HB VAL 27 10.572 -7.800 2.717 165 HG11 VAL 27 1HG1 VAL 27 8.297 -8.911 3.869 166 HG12 VAL 27 2HG1 VAL 27 9.624 -9.944 4.405 167 HG13 VAL 27 3HG1 VAL 27 9.676 -8.207 4.713 168 HG21 VAL 27 1HG2 VAL 27 11.702 -9.972 3.337 169 HG22 VAL 27 2HG2 VAL 27 10.621 -10.763 2.191 170 HG23 VAL 27 3HG2 VAL 27 11.759 -9.539 1.629 171 HA PRO 28 HA PRO 28 10.231 -7.342 -2.251 172 HB2 PRO 28 1HB PRO 28 11.268 -4.855 -1.922 173 HB3 PRO 28 2HB PRO 28 9.536 -5.157 -2.110 174 HG2 PRO 28 1HG PRO 28 11.115 -4.679 0.388 175 HG3 PRO 28 2HG PRO 28 9.532 -4.028 -0.077 176 HD2 PRO 28 1HD PRO 28 9.807 -6.109 1.634 177 HD3 PRO 28 2HD PRO 28 8.421 -5.953 0.535 178 H GLU 29 H GLU 29 11.917 -8.777 -2.440 179 HA GLU 29 HA GLU 29 14.255 -8.880 -0.977 180 HB2 GLU 29 1HB GLU 29 14.337 -9.446 -3.914 181 HB3 GLU 29 2HB GLU 29 15.077 -10.332 -2.589 182 HG2 GLU 29 1HG GLU 29 12.715 -10.955 -1.892 183 HG3 GLU 29 2HG GLU 29 12.212 -10.350 -3.470 184 H VAL 30 H VAL 30 16.488 -8.583 -2.309 185 HA VAL 30 HA VAL 30 17.185 -5.937 -2.149 186 HB VAL 30 HB VAL 30 18.884 -7.637 -2.271 187 HG11 VAL 30 1HG1 VAL 30 19.212 -9.111 -3.996 188 HG12 VAL 30 2HG1 VAL 30 17.461 -8.913 -4.075 189 HG13 VAL 30 3HG1 VAL 30 18.500 -8.035 -5.197 190 HG21 VAL 30 1HG2 VAL 30 20.292 -6.652 -4.199 191 HG22 VAL 30 2HG2 VAL 30 18.933 -5.550 -4.421 192 HG23 VAL 30 3HG2 VAL 30 19.797 -5.587 -2.883 193 HA PRO 31 HA PRO 31 15.341 -3.970 -5.642 194 HB2 PRO 31 1HB PRO 31 16.877 -1.731 -5.678 195 HB3 PRO 31 2HB PRO 31 15.610 -2.008 -4.477 196 HG2 PRO 31 1HG PRO 31 18.567 -2.402 -4.236 197 HG3 PRO 31 2HG PRO 31 17.436 -1.686 -3.073 198 HD2 PRO 31 1HD PRO 31 18.334 -4.231 -2.853 199 HD3 PRO 31 2HD PRO 31 16.713 -3.741 -2.320 200 H SER 32 H SER 32 16.064 -2.870 -7.717 201 HA SER 32 HA SER 32 17.600 -4.618 -9.247 202 HB2 SER 32 1HB SER 32 17.593 -2.777 -10.961 203 HB3 SER 32 2HB SER 32 15.999 -3.177 -10.320 204 HG SER 32 HG SER 32 17.341 -0.836 -10.225 205 H SER 33 H SER 33 18.484 -1.546 -7.728 206 HA SER 33 HA SER 33 21.182 -2.280 -7.377 207 HB2 SER 33 1HB SER 33 22.330 -1.051 -9.022 208 HB3 SER 33 2HB SER 33 21.023 -1.827 -9.916 209 HG SER 33 HG SER 33 21.366 0.860 -9.224 210 H LEU 34 H LEU 34 22.514 -0.020 -7.094 211 HA LEU 34 HA LEU 34 20.877 2.043 -5.894 212 HB2 LEU 34 1HB LEU 34 20.917 0.865 -3.939 213 HB3 LEU 34 2HB LEU 34 22.451 0.082 -4.316 214 HG LEU 34 HG LEU 34 23.526 2.355 -3.872 215 HD11 LEU 34 1HD1 LEU 34 21.908 3.470 -2.030 216 HD12 LEU 34 2HD1 LEU 34 20.714 2.902 -3.196 217 HD13 LEU 34 3HD1 LEU 34 21.996 3.998 -3.711 218 HD21 LEU 34 1HD2 LEU 34 24.138 1.283 -2.031 219 HD22 LEU 34 2HD2 LEU 34 22.718 0.243 -2.141 220 HD23 LEU 34 3HD2 LEU 34 22.630 1.766 -1.255 221 H HIS 35 H HIS 35 21.765 3.931 -6.384 222 HA HIS 35 HA HIS 35 24.640 4.013 -6.998 223 HB2 HIS 35 1HB HIS 35 23.678 4.786 -8.931 224 HB3 HIS 35 2HB HIS 35 22.264 5.426 -8.099 225 HD1 HIS 35 1HD HIS 35 25.095 6.557 -9.883 226 HD2 HIS 35 2HD HIS 35 23.146 7.837 -6.444 227 HE1 HIS 35 1HE HIS 35 25.788 8.954 -9.570 228 HE2 HIS 35 2HE HIS 35 24.664 9.681 -7.437 229 H VAL 36 H VAL 36 25.861 5.877 -6.342 230 HA VAL 36 HA VAL 36 24.716 7.621 -4.324 231 HB VAL 36 HB VAL 36 26.714 7.068 -2.784 232 HG11 VAL 36 1HG1 VAL 36 25.274 5.937 -1.457 233 HG12 VAL 36 2HG1 VAL 36 24.115 6.399 -2.705 234 HG13 VAL 36 3HG1 VAL 36 24.837 4.790 -2.724 235 HG21 VAL 36 1HG2 VAL 36 27.947 5.220 -3.119 236 HG22 VAL 36 2HG2 VAL 36 26.566 4.277 -3.678 237 HG23 VAL 36 3HG2 VAL 36 27.400 5.363 -4.790 238 H ARG 37 H ARG 37 25.500 9.598 -4.611 239 HA ARG 37 HA ARG 37 28.061 9.893 -6.031 240 HB2 ARG 37 1HB ARG 37 25.486 11.307 -6.180 241 HB3 ARG 37 2HB ARG 37 26.894 12.360 -6.158 242 HG2 ARG 37 1HG ARG 37 26.963 10.050 -8.007 243 HG3 ARG 37 2HG ARG 37 25.871 11.379 -8.402 244 HD2 ARG 37 1HD ARG 37 27.695 12.953 -8.347 245 HD3 ARG 37 2HD ARG 37 28.805 11.701 -7.791 246 HE ARG 37 HE ARG 37 27.575 11.046 -10.287 247 HH11 ARG 37 2HH1 ARG 37 30.144 12.862 -8.797 248 HH12 ARG 37 1HH1 ARG 37 31.145 12.855 -10.211 249 HH21 ARG 37 2HH2 ARG 37 28.884 11.030 -12.155 250 HH22 ARG 37 1HH2 ARG 37 30.427 11.814 -12.121 251 HA PRO 38 HA PRO 38 29.389 11.347 -1.979 252 HB2 PRO 38 1HB PRO 38 32.032 11.344 -2.599 253 HB3 PRO 38 2HB PRO 38 31.148 9.879 -2.157 254 HG2 PRO 38 1HG PRO 38 31.891 10.895 -4.872 255 HG3 PRO 38 2HG PRO 38 31.973 9.242 -4.236 256 HD2 PRO 38 1HD PRO 38 29.960 10.089 -5.837 257 HD3 PRO 38 2HD PRO 38 29.723 8.868 -4.570 258 H LEU 39 H LEU 39 29.109 13.443 -1.555 259 HA LEU 39 HA LEU 39 30.394 15.418 -3.325 260 HB2 LEU 39 1HB LEU 39 27.767 15.404 -1.916 261 HB3 LEU 39 2HB LEU 39 28.582 16.943 -2.187 262 HG LEU 39 HG LEU 39 28.660 16.188 -4.665 263 HD11 LEU 39 1HD1 LEU 39 26.832 14.728 -5.327 264 HD12 LEU 39 2HD1 LEU 39 26.407 14.469 -3.636 265 HD13 LEU 39 3HD1 LEU 39 27.949 13.882 -4.256 266 HD21 LEU 39 1HD2 LEU 39 27.383 18.080 -4.012 267 HD22 LEU 39 2HD2 LEU 39 26.167 17.073 -3.226 268 HD23 LEU 39 3HD2 LEU 39 26.322 17.058 -4.983 269 H VAL 40 H VAL 40 31.237 17.333 -2.332 270 HA VAL 40 HA VAL 40 33.033 17.154 -0.407 271 HB VAL 40 HB VAL 40 31.125 19.490 -0.583 272 HG11 VAL 40 1HG1 VAL 40 33.938 19.893 0.196 273 HG12 VAL 40 2HG1 VAL 40 32.472 20.680 0.782 274 HG13 VAL 40 3HG1 VAL 40 32.919 19.085 1.387 275 HG21 VAL 40 1HG2 VAL 40 33.728 19.818 -1.809 276 HG22 VAL 40 2HG2 VAL 40 32.828 18.483 -2.529 277 HG23 VAL 40 3HG2 VAL 40 32.122 20.099 -2.482 278 H THR 41 H THR 41 29.930 18.566 0.603 279 HA THR 41 HA THR 41 30.201 17.105 3.149 280 HB THR 41 HB THR 41 28.737 19.006 4.067 281 HG1 THR 41 1HG THR 41 29.112 20.998 2.831 282 HG21 THR 41 1HG2 THR 41 30.996 18.855 4.782 283 HG22 THR 41 2HG2 THR 41 30.749 20.528 4.282 284 HG23 THR 41 3HG2 THR 41 31.600 19.407 3.220 285 H SER 42 H SER 42 28.799 16.342 0.621 286 HA SER 42 HA SER 42 26.267 15.625 1.866 287 HB2 SER 42 1HB SER 42 26.101 16.638 -0.942 288 HB3 SER 42 2HB SER 42 24.857 16.586 0.307 289 HG SER 42 HG SER 42 25.504 18.707 0.042 290 H ILE 43 H ILE 43 24.996 14.195 0.172 291 HA ILE 43 HA ILE 43 26.651 12.672 -1.618 292 HB ILE 43 HB ILE 43 25.642 11.359 0.908 293 HG12 ILE 43 1HG1 ILE 43 28.413 11.928 -0.150 294 HG13 ILE 43 2HG1 ILE 43 27.696 12.514 1.346 295 HG21 ILE 43 1HG2 ILE 43 25.837 9.347 -0.051 296 HG22 ILE 43 2HG2 ILE 43 25.758 10.223 -1.579 297 HG23 ILE 43 3HG2 ILE 43 27.323 9.790 -0.890 298 HD11 ILE 43 1HD1 ILE 43 28.963 10.852 2.200 299 HD12 ILE 43 2HD1 ILE 43 27.528 9.901 1.811 300 HD13 ILE 43 3HD1 ILE 43 28.911 9.898 0.717 301 H VAL 44 H VAL 44 25.246 12.735 -3.266 302 HA VAL 44 HA VAL 44 22.414 12.559 -2.929 303 HB VAL 44 HB VAL 44 23.748 12.056 -5.561 304 HG11 VAL 44 1HG1 VAL 44 21.781 12.698 -6.454 305 HG12 VAL 44 2HG1 VAL 44 21.152 12.295 -4.856 306 HG13 VAL 44 3HG1 VAL 44 21.533 13.970 -5.258 307 HG21 VAL 44 1HG2 VAL 44 24.219 14.347 -3.874 308 HG22 VAL 44 2HG2 VAL 44 24.937 13.933 -5.431 309 HG23 VAL 44 3HG2 VAL 44 23.414 14.819 -5.370 310 H VAL 45 H VAL 45 21.864 10.634 -1.957 311 HA VAL 45 HA VAL 45 22.792 8.120 -3.073 312 HB VAL 45 HB VAL 45 20.931 8.730 -0.776 313 HG11 VAL 45 1HG1 VAL 45 21.798 6.110 -1.959 314 HG12 VAL 45 2HG1 VAL 45 21.271 6.252 -0.281 315 HG13 VAL 45 3HG1 VAL 45 20.165 6.666 -1.591 316 HG21 VAL 45 1HG2 VAL 45 23.743 7.641 -0.855 317 HG22 VAL 45 2HG2 VAL 45 23.273 9.267 -0.360 318 HG23 VAL 45 3HG2 VAL 45 22.770 7.874 0.597 319 H SER 46 H SER 46 21.884 7.750 -5.033 320 HA SER 46 HA SER 46 18.959 7.950 -5.258 321 HB2 SER 46 1HB SER 46 19.907 9.226 -6.992 322 HB3 SER 46 2HB SER 46 21.172 8.036 -7.297 323 HG SER 46 HG SER 46 18.542 7.193 -7.625 324 H TRP 47 H TRP 47 17.730 6.198 -5.718 325 HA TRP 47 HA TRP 47 19.095 3.655 -6.267 326 HB2 TRP 47 1HB TRP 47 17.572 2.507 -4.697 327 HB3 TRP 47 2HB TRP 47 18.596 3.685 -3.881 328 HD1 TRP 47 HD TRP 47 14.956 2.992 -4.778 329 HE1 TRP 47 1HE TRP 47 13.452 4.608 -3.453 330 HE3 TRP 47 3HE TRP 47 18.566 6.026 -2.803 331 HZ2 TRP 47 2HZ TRP 47 13.756 6.869 -1.791 332 HZ3 TRP 47 3HZ TRP 47 17.876 7.893 -1.357 333 HH2 TRP 47 HH TRP 47 15.520 8.304 -0.863 334 H THR 48 H THR 48 17.099 1.942 -6.546 335 HA THR 48 HA THR 48 15.021 3.140 -8.212 336 HB THR 48 HB THR 48 15.580 1.105 -9.845 337 HG1 THR 48 1HG THR 48 17.915 1.590 -8.389 338 HG21 THR 48 1HG2 THR 48 16.556 2.667 -11.342 339 HG22 THR 48 2HG2 THR 48 17.174 3.656 -10.019 340 HG23 THR 48 3HG2 THR 48 15.440 3.585 -10.333 341 HA PRO 49 HA PRO 49 12.443 -0.007 -6.565 342 HB2 PRO 49 1HB PRO 49 10.786 -0.536 -8.649 343 HB3 PRO 49 2HB PRO 49 10.702 0.960 -7.711 344 HG2 PRO 49 1HG PRO 49 11.996 0.457 -10.363 345 HG3 PRO 49 2HG PRO 49 11.009 1.835 -9.844 346 HD2 PRO 49 1HD PRO 49 13.713 1.936 -9.943 347 HD3 PRO 49 2HD PRO 49 12.767 2.842 -8.745 348 HA PRO 50 HA PRO 50 13.945 -4.006 -7.627 349 HB2 PRO 50 1HB PRO 50 11.879 -5.558 -6.796 350 HB3 PRO 50 2HB PRO 50 12.981 -4.747 -5.678 351 HG2 PRO 50 1HG PRO 50 10.242 -3.928 -6.567 352 HG3 PRO 50 2HG PRO 50 10.950 -3.886 -4.941 353 HD2 PRO 50 1HD PRO 50 10.760 -1.683 -6.504 354 HD3 PRO 50 2HD PRO 50 12.088 -1.924 -5.350 355 H GLU 51 H GLU 51 14.007 -5.244 -9.412 356 HA GLU 51 HA GLU 51 12.676 -4.763 -11.717 357 HB2 GLU 51 1HB GLU 51 13.955 -7.231 -10.628 358 HB3 GLU 51 2HB GLU 51 13.054 -7.349 -12.132 359 HG2 GLU 51 1HG GLU 51 15.417 -5.572 -11.579 360 HG3 GLU 51 2HG GLU 51 15.378 -7.000 -12.612 361 H ASN 52 H ASN 52 11.653 -7.027 -9.189 362 HA ASN 52 HA ASN 52 9.306 -7.867 -10.585 363 HB2 ASN 52 1HB ASN 52 10.663 -8.996 -8.608 364 HB3 ASN 52 2HB ASN 52 9.517 -8.100 -7.615 365 HD21 ASN 52 1HD2 ASN 52 9.535 -10.792 -7.483 366 HD22 ASN 52 2HD2 ASN 52 8.123 -11.443 -8.235 367 H GLN 53 H GLN 53 7.726 -6.467 -11.014 368 HA GLN 53 HA GLN 53 7.078 -4.373 -9.082 369 HB2 GLN 53 1HB GLN 53 6.571 -4.794 -11.987 370 HB3 GLN 53 2HB GLN 53 5.422 -3.814 -11.086 371 HG2 GLN 53 1HG GLN 53 8.387 -3.309 -11.162 372 HG3 GLN 53 2HG GLN 53 7.211 -2.518 -12.212 373 HE21 GLN 53 1HE2 GLN 53 8.831 -2.389 -9.286 374 HE22 GLN 53 2HE2 GLN 53 7.910 -1.136 -8.533 375 H ASN 54 H ASN 54 6.427 -7.021 -8.343 376 HA ASN 54 HA ASN 54 3.485 -6.964 -8.493 377 HB2 ASN 54 1HB ASN 54 3.407 -9.282 -8.510 378 HB3 ASN 54 2HB ASN 54 4.863 -8.975 -9.452 379 HD21 ASN 54 1HD2 ASN 54 3.851 -9.452 -6.086 380 HD22 ASN 54 2HD2 ASN 54 5.206 -10.425 -5.638 381 H ILE 55 H ILE 55 6.271 -7.017 -6.447 382 HA ILE 55 HA ILE 55 4.788 -7.627 -4.041 383 HB ILE 55 HB ILE 55 7.578 -6.513 -4.115 384 HG12 ILE 55 1HG1 ILE 55 6.893 -9.446 -4.319 385 HG13 ILE 55 2HG1 ILE 55 7.275 -8.457 -5.724 386 HG21 ILE 55 1HG2 ILE 55 7.382 -8.491 -2.197 387 HG22 ILE 55 2HG2 ILE 55 7.303 -6.752 -1.917 388 HG23 ILE 55 3HG2 ILE 55 5.818 -7.680 -2.126 389 HD11 ILE 55 1HD1 ILE 55 9.483 -8.042 -4.900 390 HD12 ILE 55 2HD1 ILE 55 9.112 -8.852 -3.377 391 HD13 ILE 55 3HD1 ILE 55 9.181 -9.779 -4.875 392 H VAL 56 H VAL 56 4.347 -6.207 -2.352 393 HA VAL 56 HA VAL 56 3.914 -3.465 -3.162 394 HB VAL 56 HB VAL 56 3.264 -4.897 -0.583 395 HG11 VAL 56 1HG1 VAL 56 1.737 -2.860 -0.285 396 HG12 VAL 56 2HG1 VAL 56 3.458 -2.653 0.045 397 HG13 VAL 56 3HG1 VAL 56 2.775 -2.075 -1.475 398 HG21 VAL 56 1HG2 VAL 56 2.059 -5.553 -2.720 399 HG22 VAL 56 2HG2 VAL 56 1.045 -5.050 -1.368 400 HG23 VAL 56 3HG2 VAL 56 1.356 -3.936 -2.699 401 H VAL 57 H VAL 57 5.194 -1.798 -2.716 402 HA VAL 57 HA VAL 57 7.299 -2.159 -0.685 403 HB VAL 57 HB VAL 57 7.325 -0.523 -3.220 404 HG11 VAL 57 1HG1 VAL 57 8.956 -0.320 -0.761 405 HG12 VAL 57 2HG1 VAL 57 9.820 -0.243 -2.298 406 HG13 VAL 57 3HG1 VAL 57 8.534 0.913 -1.949 407 HG21 VAL 57 1HG2 VAL 57 9.230 -2.678 -2.338 408 HG22 VAL 57 2HG2 VAL 57 7.791 -3.007 -3.303 409 HG23 VAL 57 3HG2 VAL 57 9.061 -1.962 -3.940 410 H ARG 58 H ARG 58 7.211 -0.888 1.042 411 HA ARG 58 HA ARG 58 5.366 1.383 1.027 412 HB2 ARG 58 1HB ARG 58 6.711 -0.127 3.269 413 HB3 ARG 58 2HB ARG 58 5.746 1.321 3.522 414 HG2 ARG 58 1HG ARG 58 4.526 -0.921 2.008 415 HG3 ARG 58 2HG ARG 58 4.719 -1.094 3.753 416 HD2 ARG 58 1HD ARG 58 3.664 1.325 3.755 417 HD3 ARG 58 2HD ARG 58 3.024 0.795 2.200 418 HE ARG 58 HE ARG 58 2.576 -1.116 4.278 419 HH11 ARG 58 2HH1 ARG 58 1.398 1.836 2.858 420 HH12 ARG 58 1HH1 ARG 58 -0.231 1.599 3.398 421 HH21 ARG 58 2HH2 ARG 58 0.435 -1.440 4.994 422 HH22 ARG 58 1HH2 ARG 58 -0.778 -0.265 4.613 423 H GLY 59 H GLY 59 8.722 0.651 1.025 424 HA2 GLY 59 1HA GLY 59 9.670 3.125 0.416 425 HA3 GLY 59 2HA GLY 59 9.587 3.150 2.171 426 H TYR 60 H TYR 60 11.992 3.549 1.497 427 HA TYR 60 HA TYR 60 13.352 0.959 1.775 428 HB2 TYR 60 1HB TYR 60 14.592 3.162 0.156 429 HB3 TYR 60 2HB TYR 60 14.955 1.439 0.144 430 HD1 TYR 60 2HD TYR 60 12.276 3.870 -0.747 431 HD2 TYR 60 1HD TYR 60 14.037 0.071 -1.502 432 HE1 TYR 60 2HE TYR 60 10.801 3.580 -2.694 433 HE2 TYR 60 1HE TYR 60 12.568 -0.229 -3.452 434 HH TYR 60 HH TYR 60 11.184 1.886 -5.055 435 H ALA 61 H ALA 61 15.212 0.964 3.032 436 HA ALA 61 HA ALA 61 15.569 3.378 4.673 437 HB1 ALA 61 1HB ALA 61 14.912 1.473 5.973 438 HB2 ALA 61 2HB ALA 61 16.194 0.490 5.265 439 HB3 ALA 61 3HB ALA 61 16.601 1.837 6.328 440 H ILE 62 H ILE 62 17.456 4.442 4.691 441 HA ILE 62 HA ILE 62 19.662 3.324 3.100 442 HB ILE 62 HB ILE 62 19.180 6.206 3.862 443 HG12 ILE 62 1HG1 ILE 62 18.979 5.184 1.062 444 HG13 ILE 62 2HG1 ILE 62 17.621 4.916 2.151 445 HG21 ILE 62 1HG2 ILE 62 21.559 5.440 3.469 446 HG22 ILE 62 2HG2 ILE 62 21.085 5.132 1.799 447 HG23 ILE 62 3HG2 ILE 62 20.992 6.767 2.454 448 HD11 ILE 62 1HD1 ILE 62 17.364 6.937 0.791 449 HD12 ILE 62 2HD1 ILE 62 17.412 7.294 2.518 450 HD13 ILE 62 3HD1 ILE 62 18.830 7.597 1.515 451 H GLY 63 H GLY 63 21.539 2.826 4.043 452 HA2 GLY 63 1HA GLY 63 21.949 3.730 6.827 453 HA3 GLY 63 2HA GLY 63 22.463 2.161 6.225 454 H TYR 64 H TYR 64 23.614 5.030 7.164 455 HA TYR 64 HA TYR 64 25.983 4.773 5.447 456 HB2 TYR 64 1HB TYR 64 26.191 7.220 5.343 457 HB3 TYR 64 2HB TYR 64 24.687 6.673 4.609 458 HD1 TYR 64 1HD TYR 64 22.596 6.690 6.194 459 HD2 TYR 64 2HD TYR 64 26.130 8.961 6.870 460 HE1 TYR 64 1HE TYR 64 21.328 8.221 7.642 461 HE2 TYR 64 2HE TYR 64 24.872 10.497 8.321 462 HH TYR 64 HH TYR 64 21.853 10.953 8.338 463 H GLY 65 H GLY 65 27.958 5.386 6.409 464 HA2 GLY 65 1HA GLY 65 28.405 6.591 8.831 465 HA3 GLY 65 2HA GLY 65 28.063 4.915 9.233 466 H ILE 66 H ILE 66 30.530 6.360 9.643 467 HA ILE 66 HA ILE 66 32.432 5.589 7.666 468 HB ILE 66 HB ILE 66 32.995 6.263 10.552 469 HG12 ILE 66 1HG1 ILE 66 31.591 7.987 9.391 470 HG13 ILE 66 2HG1 ILE 66 33.169 8.574 9.906 471 HG21 ILE 66 1HG2 ILE 66 35.045 5.652 9.854 472 HG22 ILE 66 2HG2 ILE 66 34.630 5.826 8.150 473 HG23 ILE 66 3HG2 ILE 66 35.055 7.248 9.103 474 HD11 ILE 66 1HD1 ILE 66 32.215 7.946 7.141 475 HD12 ILE 66 2HD1 ILE 66 32.882 9.452 7.772 476 HD13 ILE 66 3HD1 ILE 66 33.932 8.056 7.526 477 H GLY 67 H GLY 67 32.281 3.390 7.284 478 HA2 GLY 67 1HA GLY 67 33.612 1.410 7.815 479 HA3 GLY 67 2HA GLY 67 33.221 1.687 9.506 480 H SER 68 H SER 68 30.471 2.199 9.249 481 HA SER 68 HA SER 68 29.319 -0.119 7.922 482 HB2 SER 68 1HB SER 68 29.527 0.191 10.889 483 HB3 SER 68 2HB SER 68 28.078 -0.554 10.215 484 HG SER 68 HG SER 68 29.203 -2.297 9.970 485 HA PRO 69 HA PRO 69 26.044 2.751 7.274 486 HB2 PRO 69 1HB PRO 69 24.078 0.999 6.615 487 HB3 PRO 69 2HB PRO 69 25.412 1.399 5.527 488 HG2 PRO 69 1HG PRO 69 25.075 -0.977 7.316 489 HG3 PRO 69 2HG PRO 69 25.664 -0.909 5.645 490 HD2 PRO 69 1HD PRO 69 27.331 -1.108 7.770 491 HD3 PRO 69 2HD PRO 69 27.777 -0.246 6.284 492 H HIS 70 H HIS 70 26.260 0.724 9.885 493 HA HIS 70 HA HIS 70 23.609 0.901 10.926 494 HB2 HIS 70 1HB HIS 70 26.157 0.418 12.476 495 HB3 HIS 70 2HB HIS 70 24.521 -0.028 12.951 496 HD1 HIS 70 1HD HIS 70 26.963 -2.028 12.615 497 HD2 HIS 70 2HD HIS 70 23.903 -1.405 9.875 498 HE1 HIS 70 1HE HIS 70 26.866 -4.123 11.227 499 HE2 HIS 70 2HE HIS 70 25.065 -3.689 9.521 500 H ALA 71 H ALA 71 26.543 2.812 11.259 501 HA ALA 71 HA ALA 71 26.225 4.387 13.383 502 HB1 ALA 71 1HB ALA 71 26.614 5.945 10.902 503 HB2 ALA 71 2HB ALA 71 27.582 5.892 12.376 504 HB3 ALA 71 3HB ALA 71 27.728 4.605 11.179 505 H GLN 72 H GLN 72 24.582 5.149 10.305 506 HA GLN 72 HA GLN 72 22.372 6.295 11.861 507 HB2 GLN 72 1HB GLN 72 23.888 7.599 9.613 508 HB3 GLN 72 2HB GLN 72 22.240 8.071 10.006 509 HG2 GLN 72 1HG GLN 72 22.840 8.962 12.051 510 HG3 GLN 72 2HG GLN 72 24.332 8.027 12.134 511 HE21 GLN 72 1HE2 GLN 72 25.941 8.563 10.388 512 HE22 GLN 72 2HE2 GLN 72 26.150 10.235 10.008 513 H THR 73 H THR 73 20.340 6.335 10.772 514 HA THR 73 HA THR 73 20.167 4.813 8.278 515 HB THR 73 HB THR 73 18.571 4.113 10.750 516 HG1 THR 73 1HG THR 73 20.636 2.727 9.354 517 HG21 THR 73 1HG2 THR 73 17.475 2.461 9.466 518 HG22 THR 73 2HG2 THR 73 18.589 2.662 8.113 519 HG23 THR 73 3HG2 THR 73 17.419 3.926 8.487 520 H ILE 74 H ILE 74 18.789 5.724 6.899 521 HA ILE 74 HA ILE 74 16.598 7.372 7.963 522 HB ILE 74 HB ILE 74 18.415 8.128 5.672 523 HG12 ILE 74 1HG1 ILE 74 17.914 9.662 8.219 524 HG13 ILE 74 2HG1 ILE 74 19.199 8.466 8.089 525 HG21 ILE 74 1HG2 ILE 74 16.219 8.798 5.077 526 HG22 ILE 74 2HG2 ILE 74 15.885 9.385 6.705 527 HG23 ILE 74 3HG2 ILE 74 17.040 10.238 5.681 528 HD11 ILE 74 1HD1 ILE 74 20.375 9.736 6.527 529 HD12 ILE 74 2HD1 ILE 74 18.975 10.745 6.161 530 HD13 ILE 74 3HD1 ILE 74 19.800 10.910 7.711 531 H LYS 75 H LYS 75 14.788 6.382 7.369 532 HA LYS 75 HA LYS 75 14.652 5.184 4.682 533 HB2 LYS 75 1HB LYS 75 12.612 3.980 5.736 534 HB3 LYS 75 2HB LYS 75 14.231 3.433 6.154 535 HG2 LYS 75 1HG LYS 75 14.096 4.820 8.216 536 HG3 LYS 75 2HG LYS 75 12.414 5.168 7.811 537 HD2 LYS 75 1HD LYS 75 11.717 3.043 8.291 538 HD3 LYS 75 2HD LYS 75 13.273 2.322 7.875 539 HE2 LYS 75 1HE LYS 75 13.347 2.097 10.144 540 HE3 LYS 75 2HE LYS 75 14.068 3.698 9.988 541 HZ1 LYS 75 1HZ LYS 75 11.947 4.693 10.485 542 HZ2 LYS 75 2HZ LYS 75 12.353 3.603 11.713 543 HZ3 LYS 75 3HZ LYS 75 11.199 3.176 10.551 544 H VAL 76 H VAL 76 13.317 6.056 3.236 545 HA VAL 76 HA VAL 76 11.343 8.027 4.184 546 HB VAL 76 HB VAL 76 11.461 8.830 1.739 547 HG11 VAL 76 1HG1 VAL 76 13.961 9.251 3.357 548 HG12 VAL 76 2HG1 VAL 76 13.158 10.385 2.269 549 HG13 VAL 76 3HG1 VAL 76 12.406 9.951 3.805 550 HG21 VAL 76 1HG2 VAL 76 12.956 6.659 1.310 551 HG22 VAL 76 2HG2 VAL 76 13.123 8.134 0.357 552 HG23 VAL 76 3HG2 VAL 76 14.240 7.810 1.683 553 H ASP 77 H ASP 77 9.632 8.339 2.253 554 HA ASP 77 HA ASP 77 8.073 5.966 2.270 555 HB2 ASP 77 1HB ASP 77 7.408 8.530 2.061 556 HB3 ASP 77 2HB ASP 77 7.472 8.160 0.340 557 H TYR 78 H TYR 78 6.936 5.603 -0.114 558 HA TYR 78 HA TYR 78 9.048 4.323 -1.622 559 HB2 TYR 78 1HB TYR 78 7.126 3.446 -2.994 560 HB3 TYR 78 2HB TYR 78 7.069 3.023 -1.286 561 HD1 TYR 78 2HD TYR 78 5.545 4.369 0.234 562 HD2 TYR 78 1HD TYR 78 5.348 4.600 -4.010 563 HE1 TYR 78 2HE TYR 78 3.280 5.314 0.396 564 HE2 TYR 78 1HE TYR 78 3.083 5.547 -3.859 565 HH TYR 78 HH TYR 78 1.763 6.699 -0.957 566 H LYS 79 H LYS 79 7.321 7.253 -1.733 567 HA LYS 79 HA LYS 79 7.683 7.648 -4.590 568 HB2 LYS 79 1HB LYS 79 6.555 9.433 -2.428 569 HB3 LYS 79 2HB LYS 79 6.661 9.888 -4.123 570 HG2 LYS 79 1HG LYS 79 5.203 7.423 -3.234 571 HG3 LYS 79 2HG LYS 79 4.429 9.009 -3.276 572 HD2 LYS 79 1HD LYS 79 5.433 9.035 -5.723 573 HD3 LYS 79 2HD LYS 79 5.366 7.283 -5.513 574 HE2 LYS 79 1HE LYS 79 2.945 7.663 -4.761 575 HE3 LYS 79 2HE LYS 79 3.117 9.273 -5.459 576 HZ1 LYS 79 1HZ LYS 79 2.860 8.456 -7.491 577 HZ2 LYS 79 2HZ LYS 79 2.422 6.980 -6.791 578 HZ3 LYS 79 3HZ LYS 79 4.027 7.255 -7.250 579 H GLN 80 H GLN 80 10.078 7.234 -3.163 580 HA GLN 80 HA GLN 80 11.344 9.873 -3.482 581 HB2 GLN 80 1HB GLN 80 11.889 7.775 -1.382 582 HB3 GLN 80 2HB GLN 80 12.995 9.099 -1.724 583 HG2 GLN 80 1HG GLN 80 10.280 9.175 -0.491 584 HG3 GLN 80 2HG GLN 80 11.790 9.885 0.077 585 HE21 GLN 80 1HE2 GLN 80 9.011 10.937 -0.551 586 HE22 GLN 80 2HE2 GLN 80 9.307 12.323 -1.538 587 H ARG 81 H ARG 81 12.520 9.792 -5.277 588 HA ARG 81 HA ARG 81 13.545 7.342 -6.345 589 HB2 ARG 81 1HB ARG 81 12.983 8.851 -8.014 590 HB3 ARG 81 2HB ARG 81 13.653 10.223 -7.142 591 HG2 ARG 81 1HG ARG 81 15.055 9.817 -9.008 592 HG3 ARG 81 2HG ARG 81 15.928 9.273 -7.573 593 HD2 ARG 81 1HD ARG 81 15.710 7.048 -8.119 594 HD3 ARG 81 2HD ARG 81 14.255 7.318 -9.078 595 HE ARG 81 HE ARG 81 16.684 8.468 -10.153 596 HH11 ARG 81 2HH1 ARG 81 14.518 5.743 -10.101 597 HH12 ARG 81 1HH1 ARG 81 15.035 5.137 -11.639 598 HH21 ARG 81 2HH2 ARG 81 17.372 7.680 -12.180 599 HH22 ARG 81 1HH2 ARG 81 16.659 6.239 -12.821 600 H TYR 82 H TYR 82 14.911 10.108 -4.635 601 HA TYR 82 HA TYR 82 17.218 8.517 -3.902 602 HB2 TYR 82 1HB TYR 82 18.883 9.962 -4.787 603 HB3 TYR 82 2HB TYR 82 17.767 9.644 -6.110 604 HD1 TYR 82 2HD TYR 82 16.109 11.402 -6.762 605 HD2 TYR 82 1HD TYR 82 19.238 12.165 -3.982 606 HE1 TYR 82 2HE TYR 82 15.805 13.820 -7.093 607 HE2 TYR 82 1HE TYR 82 18.941 14.586 -4.304 608 HH TYR 82 HH TYR 82 17.656 15.980 -6.690 609 H TYR 83 H TYR 83 18.760 10.022 -2.540 610 HA TYR 83 HA TYR 83 17.223 11.970 -0.994 611 HB2 TYR 83 1HB TYR 83 17.005 9.701 0.083 612 HB3 TYR 83 2HB TYR 83 18.746 9.729 0.344 613 HD1 TYR 83 1HD TYR 83 15.610 11.559 1.137 614 HD2 TYR 83 2HD TYR 83 19.652 10.798 2.223 615 HE1 TYR 83 1HE TYR 83 15.268 12.782 3.243 616 HE2 TYR 83 2HE TYR 83 19.321 12.018 4.333 617 HH TYR 83 HH TYR 83 17.802 13.786 5.217 618 H THR 84 H THR 84 18.403 13.674 -0.349 619 HA THR 84 HA THR 84 21.247 13.674 -1.026 620 HB THR 84 HB THR 84 19.469 15.999 -0.262 621 HG1 THR 84 1HG THR 84 19.265 16.344 -2.435 622 HG21 THR 84 1HG2 THR 84 21.411 17.082 -0.020 623 HG22 THR 84 2HG2 THR 84 21.610 16.915 -1.765 624 HG23 THR 84 3HG2 THR 84 22.331 15.729 -0.677 625 H ILE 85 H ILE 85 22.292 12.714 0.667 626 HA ILE 85 HA ILE 85 21.677 13.371 3.401 627 HB ILE 85 HB ILE 85 24.056 11.856 2.325 628 HG12 ILE 85 1HG1 ILE 85 21.424 10.781 3.360 629 HG13 ILE 85 2HG1 ILE 85 21.870 10.866 1.660 630 HG21 ILE 85 1HG2 ILE 85 22.832 11.696 5.067 631 HG22 ILE 85 2HG2 ILE 85 24.375 11.042 4.521 632 HG23 ILE 85 3HG2 ILE 85 24.161 12.786 4.673 633 HD11 ILE 85 1HD1 ILE 85 22.160 8.628 2.677 634 HD12 ILE 85 2HD1 ILE 85 23.641 9.293 1.987 635 HD13 ILE 85 3HD1 ILE 85 23.395 9.312 3.734 636 H GLU 86 H GLU 86 22.076 15.496 3.827 637 HA GLU 86 HA GLU 86 24.720 16.577 3.173 638 HB2 GLU 86 1HB GLU 86 22.346 18.058 4.307 639 HB3 GLU 86 2HB GLU 86 23.798 18.755 3.603 640 HG2 GLU 86 1HG GLU 86 23.138 18.325 1.458 641 HG3 GLU 86 2HG GLU 86 22.131 16.956 1.926 642 H ASN 87 H ASN 87 25.608 18.120 4.901 643 HA ASN 87 HA ASN 87 26.401 18.505 7.006 644 HB2 ASN 87 1HB ASN 87 24.380 16.622 8.183 645 HB3 ASN 87 2HB ASN 87 25.067 18.087 8.878 646 HD21 ASN 87 1HD2 ASN 87 22.385 16.778 7.486 647 HD22 ASN 87 2HD2 ASN 87 21.588 18.227 6.986 648 H LEU 88 H LEU 88 27.621 16.615 5.436 649 HA LEU 88 HA LEU 88 28.319 14.475 7.335 650 HB2 LEU 88 1HB LEU 88 28.609 14.551 4.336 651 HB3 LEU 88 2HB LEU 88 29.153 13.234 5.373 652 HG LEU 88 HG LEU 88 26.270 14.083 5.179 653 HD11 LEU 88 1HD1 LEU 88 27.740 11.974 3.605 654 HD12 LEU 88 2HD1 LEU 88 26.954 13.418 2.968 655 HD13 LEU 88 3HD1 LEU 88 25.985 12.132 3.688 656 HD21 LEU 88 1HD2 LEU 88 27.766 11.822 6.435 657 HD22 LEU 88 2HD2 LEU 88 26.100 11.590 5.905 658 HD23 LEU 88 3HD2 LEU 88 26.481 12.828 7.104 659 H ASP 89 H ASP 89 30.600 13.757 7.259 660 HA ASP 89 HA ASP 89 32.348 16.067 7.327 661 HB2 ASP 89 1HB ASP 89 32.748 13.174 8.097 662 HB3 ASP 89 2HB ASP 89 34.020 14.388 8.205 663 HA PRO 90 HA PRO 90 33.727 15.242 3.159 664 HB2 PRO 90 1HB PRO 90 35.433 17.350 3.032 665 HB3 PRO 90 2HB PRO 90 33.683 17.518 2.852 666 HG2 PRO 90 1HG PRO 90 35.395 18.009 5.258 667 HG3 PRO 90 2HG PRO 90 34.050 18.976 4.626 668 HD2 PRO 90 1HD PRO 90 33.768 17.278 6.716 669 HD3 PRO 90 2HD PRO 90 32.456 17.601 5.565 670 H SER 91 H SER 91 35.670 14.577 2.149 671 HA SER 91 HA SER 91 37.710 13.576 2.001 672 HB2 SER 91 1HB SER 91 38.386 15.769 3.188 673 HB3 SER 91 2HB SER 91 38.478 14.787 4.650 674 HG SER 91 HG SER 91 40.437 14.444 3.930 675 H SER 92 H SER 92 35.843 11.910 2.766 676 HA SER 92 HA SER 92 37.226 9.993 4.363 677 HB2 SER 92 1HB SER 92 35.255 9.799 6.026 678 HB3 SER 92 2HB SER 92 36.430 11.089 6.284 679 HG SER 92 HG SER 92 34.101 11.532 4.759 680 H HIS 93 H HIS 93 36.348 7.920 4.190 681 HA HIS 93 HA HIS 93 34.558 7.574 1.946 682 HB2 HIS 93 1HB HIS 93 36.358 6.060 1.929 683 HB3 HIS 93 2HB HIS 93 36.187 5.699 3.645 684 HD1 HIS 93 1HD HIS 93 35.575 3.307 3.779 685 HD2 HIS 93 2HD HIS 93 33.491 5.270 0.768 686 HE1 HIS 93 1HE HIS 93 33.973 1.605 2.852 687 HE2 HIS 93 2HE HIS 93 32.782 2.791 0.975 688 H TYR 94 H TYR 94 32.513 6.741 1.982 689 HA TYR 94 HA TYR 94 31.346 6.134 4.613 690 HB2 TYR 94 1HB TYR 94 30.448 8.130 2.587 691 HB3 TYR 94 2HB TYR 94 29.216 7.247 3.481 692 HD1 TYR 94 2HD TYR 94 32.305 9.268 4.025 693 HD2 TYR 94 1HD TYR 94 28.527 8.041 5.550 694 HE1 TYR 94 2HE TYR 94 32.565 10.827 5.910 695 HE2 TYR 94 1HE TYR 94 28.776 9.597 7.438 696 HH TYR 94 HH TYR 94 31.675 11.027 8.270 697 H VAL 95 H VAL 95 30.069 4.377 4.680 698 HA VAL 95 HA VAL 95 29.682 2.902 2.179 699 HB VAL 95 HB VAL 95 29.413 1.978 5.043 700 HG11 VAL 95 1HG1 VAL 95 29.584 -0.294 3.656 701 HG12 VAL 95 2HG1 VAL 95 28.042 0.477 4.031 702 HG13 VAL 95 3HG1 VAL 95 28.781 0.705 2.445 703 HG21 VAL 95 1HG2 VAL 95 31.447 0.738 3.366 704 HG22 VAL 95 2HG2 VAL 95 31.710 2.465 3.609 705 HG23 VAL 95 3HG2 VAL 95 31.570 1.390 5.000 706 H ILE 96 H ILE 96 27.811 3.315 1.196 707 HA ILE 96 HA ILE 96 25.430 3.902 2.789 708 HB ILE 96 HB ILE 96 26.003 4.175 -0.158 709 HG12 ILE 96 1HG1 ILE 96 25.327 6.599 0.486 710 HG13 ILE 96 2HG1 ILE 96 25.618 6.074 2.141 711 HG21 ILE 96 1HG2 ILE 96 23.439 4.036 1.272 712 HG22 ILE 96 2HG2 ILE 96 23.613 5.397 0.167 713 HG23 ILE 96 3HG2 ILE 96 23.810 3.749 -0.427 714 HD11 ILE 96 1HD1 ILE 96 27.674 5.781 -0.022 715 HD12 ILE 96 2HD1 ILE 96 27.522 7.236 0.963 716 HD13 ILE 96 3HD1 ILE 96 27.896 5.690 1.725 717 H THR 97 H THR 97 23.636 2.636 2.830 718 HA THR 97 HA THR 97 23.606 0.210 1.174 719 HB THR 97 HB THR 97 22.777 -1.090 3.144 720 HG1 THR 97 1HG THR 97 22.968 -0.207 5.176 721 HG21 THR 97 1HG2 THR 97 25.481 -0.032 3.853 722 HG22 THR 97 2HG2 THR 97 25.252 -0.865 2.316 723 HG23 THR 97 3HG2 THR 97 24.897 -1.696 3.830 724 H LEU 98 H LEU 98 21.657 -0.290 0.349 725 HA LEU 98 HA LEU 98 19.308 1.134 1.412 726 HB2 LEU 98 1HB LEU 98 19.924 2.174 -0.656 727 HB3 LEU 98 2HB LEU 98 20.060 0.610 -1.456 728 HG LEU 98 HG LEU 98 17.486 0.487 -0.781 729 HD11 LEU 98 1HD1 LEU 98 16.719 2.943 -1.438 730 HD12 LEU 98 2HD1 LEU 98 18.227 3.352 -0.622 731 HD13 LEU 98 3HD1 LEU 98 16.977 2.452 0.237 732 HD21 LEU 98 1HD2 LEU 98 18.166 0.174 -3.015 733 HD22 LEU 98 2HD2 LEU 98 18.754 1.831 -3.153 734 HD23 LEU 98 3HD2 LEU 98 17.021 1.516 -3.053 735 H LYS 99 H LYS 99 17.413 0.001 1.564 736 HA LYS 99 HA LYS 99 17.211 -2.667 0.440 737 HB2 LYS 99 1HB LYS 99 16.909 -3.822 2.493 738 HB3 LYS 99 2HB LYS 99 18.384 -2.882 2.672 739 HG2 LYS 99 1HG LYS 99 17.364 -1.337 4.099 740 HG3 LYS 99 2HG LYS 99 15.740 -1.853 3.639 741 HD2 LYS 99 1HD LYS 99 15.910 -2.920 5.649 742 HD3 LYS 99 2HD LYS 99 16.605 -4.165 4.608 743 HE2 LYS 99 1HE LYS 99 17.966 -3.809 6.606 744 HE3 LYS 99 2HE LYS 99 18.848 -3.376 5.143 745 HZ1 LYS 99 1HZ LYS 99 19.021 -1.785 7.071 746 HZ2 LYS 99 2HZ LYS 99 17.408 -1.369 6.775 747 HZ3 LYS 99 3HZ LYS 99 18.582 -1.101 5.587 748 H ALA 100 H ALA 100 15.127 -3.303 0.093 749 HA ALA 100 HA ALA 100 13.082 -1.280 0.523 750 HB1 ALA 100 1HB ALA 100 13.390 -3.637 -1.250 751 HB2 ALA 100 2HB ALA 100 11.752 -3.149 -0.816 752 HB3 ALA 100 3HB ALA 100 12.830 -2.006 -1.617 753 H PHE 101 H PHE 101 11.464 -1.417 1.957 754 HA PHE 101 HA PHE 101 10.960 -3.990 3.279 755 HB2 PHE 101 1HB PHE 101 10.957 -3.014 5.452 756 HB3 PHE 101 2HB PHE 101 12.444 -2.483 4.671 757 HD1 PHE 101 2HD PHE 101 12.684 -0.169 3.903 758 HD2 PHE 101 1HD PHE 101 9.237 -1.468 6.035 759 HE1 PHE 101 2HE PHE 101 12.088 2.174 4.360 760 HE2 PHE 101 1HE PHE 101 8.635 0.872 6.495 761 HZ PHE 101 HZ PHE 101 10.061 2.697 5.658 762 H ASN 102 H ASN 102 8.850 -4.379 3.866 763 HA ASN 102 HA ASN 102 6.887 -2.286 3.212 764 HB2 ASN 102 1HB ASN 102 5.408 -4.068 2.299 765 HB3 ASN 102 2HB ASN 102 6.888 -3.856 1.369 766 HD21 ASN 102 1HD2 ASN 102 5.506 -6.131 1.052 767 HD22 ASN 102 2HD2 ASN 102 6.332 -7.459 1.785 768 H ASN 103 H ASN 103 4.582 -3.378 3.939 769 HA ASN 103 HA ASN 103 4.455 -3.136 6.676 770 HB2 ASN 103 1HB ASN 103 2.551 -3.187 4.937 771 HB3 ASN 103 2HB ASN 103 2.561 -4.932 5.176 772 HD21 ASN 103 1HD2 ASN 103 0.886 -5.445 6.379 773 HD22 ASN 103 2HD2 ASN 103 0.392 -4.645 7.829 774 H VAL 104 H VAL 104 5.323 -5.912 4.783 775 HA VAL 104 HA VAL 104 5.017 -7.806 6.931 776 HB VAL 104 HB VAL 104 6.417 -8.066 4.267 777 HG11 VAL 104 1HG1 VAL 104 6.039 -9.958 6.536 778 HG12 VAL 104 2HG1 VAL 104 5.973 -10.583 4.887 779 HG13 VAL 104 3HG1 VAL 104 7.419 -9.749 5.458 780 HG21 VAL 104 1HG2 VAL 104 4.359 -9.579 3.880 781 HG22 VAL 104 2HG2 VAL 104 3.649 -8.690 5.227 782 HG23 VAL 104 3HG2 VAL 104 4.157 -7.830 3.774 783 H GLY 105 H GLY 105 7.784 -6.323 5.244 784 HA2 GLY 105 1HA GLY 105 9.366 -5.791 7.407 785 HA3 GLY 105 2HA GLY 105 9.696 -7.479 7.049 786 H GLU 106 H GLU 106 11.900 -6.551 6.743 787 HA GLU 106 HA GLU 106 12.213 -5.317 4.092 788 HB2 GLU 106 1HB GLU 106 14.541 -4.786 4.904 789 HB3 GLU 106 2HB GLU 106 13.241 -3.962 5.753 790 HG2 GLU 106 1HG GLU 106 14.834 -4.684 7.362 791 HG3 GLU 106 2HG GLU 106 13.393 -5.684 7.536 792 H GLY 107 H GLY 107 14.223 -5.994 2.897 793 HA2 GLY 107 1HA GLY 107 14.492 -8.925 3.093 794 HA3 GLY 107 2HA GLY 107 14.661 -8.000 1.609 795 H ILE 108 H ILE 108 16.687 -8.022 0.923 796 HA ILE 108 HA ILE 108 18.849 -7.964 2.921 797 HB ILE 108 HB ILE 108 20.162 -8.668 0.692 798 HG12 ILE 108 1HG1 ILE 108 17.827 -8.635 -0.464 799 HG13 ILE 108 2HG1 ILE 108 18.930 -9.964 -0.800 800 HG21 ILE 108 1HG2 ILE 108 18.625 -10.603 2.420 801 HG22 ILE 108 2HG2 ILE 108 20.086 -10.951 1.497 802 HG23 ILE 108 3HG2 ILE 108 20.150 -9.835 2.860 803 HD11 ILE 108 1HD1 ILE 108 17.685 -11.475 0.412 804 HD12 ILE 108 2HD1 ILE 108 16.908 -10.219 1.377 805 HD13 ILE 108 3HD1 ILE 108 16.441 -10.452 -0.307 806 HA PRO 109 HA PRO 109 19.606 -3.839 1.414 807 HB2 PRO 109 1HB PRO 109 21.770 -3.367 2.985 808 HB3 PRO 109 2HB PRO 109 20.110 -3.304 3.591 809 HG2 PRO 109 1HG PRO 109 22.122 -5.510 3.805 810 HG3 PRO 109 2HG PRO 109 21.010 -4.887 5.038 811 HD2 PRO 109 1HD PRO 109 20.517 -7.155 3.644 812 HD3 PRO 109 2HD PRO 109 19.221 -6.080 4.207 813 H LEU 110 H LEU 110 21.544 -2.647 0.560 814 HA LEU 110 HA LEU 110 23.265 -4.506 -0.941 815 HB2 LEU 110 1HB LEU 110 22.261 -1.748 -1.605 816 HB3 LEU 110 2HB LEU 110 23.535 -2.554 -2.517 817 HG LEU 110 HG LEU 110 20.744 -3.649 -2.198 818 HD11 LEU 110 1HD1 LEU 110 20.470 -2.916 -4.572 819 HD12 LEU 110 2HD1 LEU 110 21.950 -1.974 -4.391 820 HD13 LEU 110 3HD1 LEU 110 20.540 -1.600 -3.399 821 HD21 LEU 110 1HD2 LEU 110 21.730 -4.742 -4.440 822 HD22 LEU 110 2HD2 LEU 110 21.891 -5.485 -2.849 823 HD23 LEU 110 3HD2 LEU 110 23.225 -4.548 -3.525 824 H TYR 111 H TYR 111 25.329 -3.204 -1.742 825 HA TYR 111 HA TYR 111 26.441 -1.666 0.496 826 HB2 TYR 111 1HB TYR 111 27.487 -4.225 -0.651 827 HB3 TYR 111 2HB TYR 111 28.626 -3.028 -0.045 828 HD1 TYR 111 2HD TYR 111 25.452 -4.686 1.042 829 HD2 TYR 111 1HD TYR 111 29.299 -3.243 2.147 830 HE1 TYR 111 2HE TYR 111 25.101 -5.519 3.330 831 HE2 TYR 111 1HE TYR 111 28.960 -4.073 4.437 832 HH TYR 111 HH TYR 111 26.110 -4.814 5.720 833 H GLU 112 H GLU 112 27.512 0.093 -0.138 834 HA GLU 112 HA GLU 112 28.675 0.182 -2.824 835 HB2 GLU 112 1HB GLU 112 26.526 1.958 -1.749 836 HB3 GLU 112 2HB GLU 112 27.733 2.649 -2.824 837 HG2 GLU 112 1HG GLU 112 25.719 0.511 -3.394 838 HG3 GLU 112 2HG GLU 112 25.973 2.045 -4.223 839 H SER 113 H SER 113 29.811 2.477 -3.037 840 HA SER 113 HA SER 113 31.093 3.206 -0.507 841 HB2 SER 113 1HB SER 113 33.313 2.959 -1.369 842 HB3 SER 113 2HB SER 113 32.470 1.444 -1.691 843 HG SER 113 HG SER 113 33.320 3.429 -3.461 844 H ALA 114 H ALA 114 31.770 5.314 -0.384 845 HA ALA 114 HA ALA 114 31.866 6.995 -2.728 846 HB1 ALA 114 1HB ALA 114 29.434 6.780 -1.261 847 HB2 ALA 114 2HB ALA 114 30.102 8.395 -1.019 848 HB3 ALA 114 3HB ALA 114 29.802 7.800 -2.652 849 H VAL 115 H VAL 115 33.601 8.209 -2.408 850 HA VAL 115 HA VAL 115 34.386 8.898 0.332 851 HB VAL 115 HB VAL 115 35.972 9.072 -2.235 852 HG11 VAL 115 1HG1 VAL 115 37.896 9.352 -0.598 853 HG12 VAL 115 2HG1 VAL 115 36.825 10.739 -0.805 854 HG13 VAL 115 3HG1 VAL 115 36.671 9.709 0.619 855 HG21 VAL 115 1HG2 VAL 115 36.245 6.879 -1.944 856 HG22 VAL 115 2HG2 VAL 115 37.196 7.279 -0.514 857 HG23 VAL 115 3HG2 VAL 115 35.477 6.918 -0.356 858 H THR 116 H THR 116 33.358 10.726 0.923 859 HA THR 116 HA THR 116 32.428 12.795 -0.598 860 HB THR 116 HB THR 116 32.612 14.241 1.380 861 HG1 THR 116 1HG THR 116 33.858 12.157 2.806 862 HG21 THR 116 1HG2 THR 116 30.976 12.201 1.138 863 HG22 THR 116 2HG2 THR 116 31.069 13.097 2.655 864 HG23 THR 116 3HG2 THR 116 31.913 11.557 2.486 865 H ARG 117 H ARG 117 33.252 14.476 -1.693 866 HA ARG 117 HA ARG 117 35.940 14.584 -2.419 867 HB2 ARG 117 1HB ARG 117 33.611 16.423 -2.695 868 HB3 ARG 117 2HB ARG 117 35.213 17.073 -3.018 869 HG2 ARG 117 1HG ARG 117 34.220 16.332 -5.074 870 HG3 ARG 117 2HG ARG 117 35.574 15.276 -4.669 871 HD2 ARG 117 1HD ARG 117 32.825 14.534 -3.780 872 HD3 ARG 117 2HD ARG 117 33.282 14.278 -5.463 873 HE ARG 117 HE ARG 117 34.135 12.757 -3.200 874 HH11 ARG 117 2HH1 ARG 117 35.065 13.852 -6.372 875 HH12 ARG 117 1HH1 ARG 117 36.158 12.536 -6.648 876 HH21 ARG 117 2HH2 ARG 117 35.571 11.020 -3.553 877 HH22 ARG 117 1HH2 ARG 117 36.444 10.926 -5.044 878 HA PRO 118 HA PRO 118 38.020 16.728 0.797 879 HB2 PRO 118 1HB PRO 118 39.857 18.146 -0.612 880 HB3 PRO 118 2HB PRO 118 39.956 16.395 -0.394 881 HG2 PRO 118 1HG PRO 118 38.939 17.958 -2.736 882 HG3 PRO 118 2HG PRO 118 39.971 16.517 -2.716 883 HD2 PRO 118 1HD PRO 118 37.315 16.399 -3.227 884 HD3 PRO 118 2HD PRO 118 38.188 15.090 -2.406 885 H HIS 119 H HIS 119 36.888 18.250 1.861 886 HA HIS 119 HA HIS 119 35.797 20.567 0.599 887 HB2 HIS 119 1HB HIS 119 34.823 19.429 2.620 888 HB3 HIS 119 2HB HIS 119 36.160 20.084 3.561 889 HD1 HIS 119 1HD HIS 119 34.030 21.868 0.971 890 HD2 HIS 119 2HD HIS 119 34.946 22.025 5.020 891 HE1 HIS 119 1HE HIS 119 32.892 23.936 1.837 892 HE2 HIS 119 2HE HIS 119 33.530 24.056 4.271 893 H THR 120 H THR 120 38.235 20.260 3.189 894 HA THR 120 HA THR 120 39.234 22.922 2.552 895 HB THR 120 HB THR 120 40.653 22.654 4.552 896 HG1 THR 120 1HG THR 120 40.963 20.724 5.349 897 HG21 THR 120 1HG2 THR 120 37.971 23.111 4.479 898 HG22 THR 120 2HG2 THR 120 38.970 23.258 5.925 899 HG23 THR 120 3HG2 THR 120 38.063 21.775 5.627 900 H SER 121 H SER 121 39.663 20.935 0.571 901 HA SER 121 HA SER 121 41.894 19.487 0.414 902 HB2 SER 121 1HB SER 121 40.467 19.917 -1.531 903 HB3 SER 121 2HB SER 121 41.091 21.563 -1.640 904 HG SER 121 HG SER 121 43.227 20.206 -1.683 905 H GLY 122 H GLY 122 41.888 23.036 0.137 906 HA2 GLY 122 1HA GLY 122 44.451 23.217 1.414 907 HA3 GLY 122 2HA GLY 122 44.542 23.535 -0.312 908 HA PRO 123 HA PRO 123 43.355 27.394 2.152 909 HB2 PRO 123 1HB PRO 123 45.634 28.799 1.702 910 HB3 PRO 123 2HB PRO 123 45.423 27.732 3.095 911 HG2 PRO 123 1HG PRO 123 46.833 27.211 0.506 912 HG3 PRO 123 2HG PRO 123 47.335 26.800 2.156 913 HD2 PRO 123 1HD PRO 123 46.221 24.989 0.479 914 HD3 PRO 123 2HD PRO 123 45.984 24.934 2.238 915 H SER 124 H SER 124 44.605 26.610 -0.974 916 HA SER 124 HA SER 124 44.236 29.132 -2.220 917 HB2 SER 124 1HB SER 124 44.351 27.834 -4.343 918 HB3 SER 124 2HB SER 124 45.674 27.462 -3.238 919 HG SER 124 HG SER 124 43.378 25.899 -3.048 920 H SER 125 H SER 125 42.562 29.876 -3.532 921 HA SER 125 HA SER 125 40.009 28.427 -3.279 922 HB2 SER 125 1HB SER 125 40.351 30.580 -1.847 923 HB3 SER 125 2HB SER 125 40.118 31.428 -3.375 924 HG SER 125 HG SER 125 38.314 29.819 -1.938 925 H GLY 126 H GLY 126 38.723 28.328 -5.068 926 HA2 GLY 126 1HA GLY 126 39.845 29.529 -7.523 927 HA3 GLY 126 2HA GLY 126 38.992 27.994 -7.478 Start of MODEL 9 1 H1 GLY 1 H GLY 1 26.591 32.846 -6.636 2 HA2 GLY 1 1HA GLY 1 26.235 30.434 -7.727 3 HA3 GLY 1 2HA GLY 1 26.299 30.018 -6.021 4 H SER 2 H SER 2 24.068 29.544 -7.660 5 HA SER 2 HA SER 2 22.006 30.625 -6.075 6 HB2 SER 2 1HB SER 2 22.402 32.685 -7.308 7 HB3 SER 2 2HB SER 2 22.281 31.824 -8.842 8 HG SER 2 HG SER 2 20.168 31.854 -6.963 9 H SER 3 H SER 3 19.970 29.713 -6.539 10 HA SER 3 HA SER 3 19.823 27.842 -8.783 11 HB2 SER 3 1HB SER 3 19.196 27.009 -5.941 12 HB3 SER 3 2HB SER 3 19.123 25.994 -7.381 13 HG SER 3 HG SER 3 21.535 26.989 -7.349 14 H GLY 4 H GLY 4 17.523 26.753 -8.704 15 HA2 GLY 4 1HA GLY 4 15.387 28.179 -7.510 16 HA3 GLY 4 2HA GLY 4 15.632 28.746 -9.156 17 H SER 5 H SER 5 14.939 25.892 -7.197 18 HA SER 5 HA SER 5 13.571 24.734 -9.535 19 HB2 SER 5 1HB SER 5 15.511 23.381 -9.181 20 HB3 SER 5 2HB SER 5 15.239 23.334 -7.440 21 HG SER 5 HG SER 5 13.251 22.354 -9.155 22 H SER 6 H SER 6 11.513 24.112 -9.242 23 HA SER 6 HA SER 6 10.439 23.365 -6.705 24 HB2 SER 6 1HB SER 6 10.451 25.742 -6.276 25 HB3 SER 6 2HB SER 6 9.697 26.073 -7.836 26 HG SER 6 HG SER 6 8.485 24.524 -5.792 27 H GLY 7 H GLY 7 8.146 22.802 -6.835 28 HA2 GLY 7 1HA GLY 7 7.190 22.468 -9.604 29 HA3 GLY 7 2HA GLY 7 7.220 21.101 -8.500 30 HA PRO 8 HA PRO 8 3.836 24.236 -6.960 31 HB2 PRO 8 1HB PRO 8 2.967 25.988 -8.843 32 HB3 PRO 8 2HB PRO 8 4.284 26.356 -7.724 33 HG2 PRO 8 1HG PRO 8 4.417 25.444 -10.572 34 HG3 PRO 8 2HG PRO 8 5.369 26.696 -9.753 35 HD2 PRO 8 1HD PRO 8 6.328 24.207 -10.214 36 HD3 PRO 8 2HD PRO 8 6.795 25.162 -8.793 37 H ALA 9 H ALA 9 4.092 22.397 -9.749 38 HA ALA 9 HA ALA 9 1.374 22.404 -10.612 39 HB1 ALA 9 1HB ALA 9 2.641 21.629 -12.318 40 HB2 ALA 9 2HB ALA 9 3.815 20.865 -11.246 41 HB3 ALA 9 3HB ALA 9 2.274 20.073 -11.574 42 H THR 10 H THR 10 0.050 22.028 -8.843 43 HA THR 10 HA THR 10 0.264 19.349 -7.631 44 HB THR 10 HB THR 10 -1.120 20.344 -5.748 45 HG1 THR 10 1HG THR 10 -0.172 22.834 -6.718 46 HG21 THR 10 1HG2 THR 10 0.795 20.597 -4.606 47 HG22 THR 10 2HG2 THR 10 1.343 21.912 -5.646 48 HG23 THR 10 3HG2 THR 10 1.600 20.237 -6.133 49 H ASP 11 H ASP 11 -1.003 19.686 -10.094 50 HA ASP 11 HA ASP 11 -3.869 19.640 -9.473 51 HB2 ASP 11 1HB ASP 11 -4.220 19.811 -11.891 52 HB3 ASP 11 2HB ASP 11 -3.170 21.104 -11.318 53 H TRP 12 H TRP 12 -4.005 17.596 -8.526 54 HA TRP 12 HA TRP 12 -3.759 15.373 -10.434 55 HB2 TRP 12 1HB TRP 12 -2.805 15.460 -7.576 56 HB3 TRP 12 2HB TRP 12 -3.133 13.941 -8.406 57 HD1 TRP 12 HD TRP 12 -0.649 16.837 -8.326 58 HE1 TRP 12 1HE TRP 12 1.438 16.176 -9.679 59 HE3 TRP 12 3HE TRP 12 -2.354 12.470 -10.366 60 HZ2 TRP 12 2HZ TRP 12 2.254 14.081 -11.386 61 HZ3 TRP 12 3HZ TRP 12 -0.858 11.199 -11.849 62 HH2 TRP 12 HH TRP 12 1.398 11.989 -12.348 63 H LEU 13 H LEU 13 -5.990 15.481 -10.821 64 HA LEU 13 HA LEU 13 -7.806 15.123 -8.572 65 HB2 LEU 13 1HB LEU 13 -9.567 15.258 -10.338 66 HB3 LEU 13 2HB LEU 13 -8.546 16.687 -10.190 67 HG LEU 13 HG LEU 13 -7.847 14.643 -12.243 68 HD11 LEU 13 1HD1 LEU 13 -9.383 16.287 -13.704 69 HD12 LEU 13 2HD1 LEU 13 -10.309 16.269 -12.203 70 HD13 LEU 13 3HD1 LEU 13 -9.956 14.757 -13.039 71 HD21 LEU 13 1HD2 LEU 13 -6.949 17.193 -11.503 72 HD22 LEU 13 2HD2 LEU 13 -7.787 17.401 -13.041 73 HD23 LEU 13 3HD2 LEU 13 -6.461 16.245 -12.907 74 H SER 14 H SER 14 -6.537 13.354 -11.324 75 HA SER 14 HA SER 14 -8.293 11.153 -11.221 76 HB2 SER 14 1HB SER 14 -5.596 11.659 -12.401 77 HB3 SER 14 2HB SER 14 -6.158 9.991 -12.284 78 HG SER 14 HG SER 14 -7.960 11.844 -13.299 79 H ALA 15 H ALA 15 -8.593 10.386 -9.161 80 HA ALA 15 HA ALA 15 -6.224 9.329 -7.770 81 HB1 ALA 15 1HB ALA 15 -7.229 9.723 -5.752 82 HB2 ALA 15 2HB ALA 15 -7.922 11.033 -6.709 83 HB3 ALA 15 3HB ALA 15 -8.859 9.570 -6.408 84 H GLU 16 H GLU 16 -6.045 7.350 -8.801 85 HA GLU 16 HA GLU 16 -8.249 5.467 -8.278 86 HB2 GLU 16 1HB GLU 16 -8.214 5.878 -10.649 87 HB3 GLU 16 2HB GLU 16 -6.474 5.634 -10.714 88 HG2 GLU 16 1HG GLU 16 -7.201 3.627 -11.506 89 HG3 GLU 16 2HG GLU 16 -7.083 3.263 -9.785 90 H THR 17 H THR 17 -7.705 3.453 -7.526 91 HA THR 17 HA THR 17 -4.888 3.113 -6.744 92 HB THR 17 HB THR 17 -7.294 1.748 -5.526 93 HG1 THR 17 1HG THR 17 -7.525 3.464 -4.308 94 HG21 THR 17 1HG2 THR 17 -5.875 0.823 -3.983 95 HG22 THR 17 2HG2 THR 17 -4.691 2.122 -4.131 96 HG23 THR 17 3HG2 THR 17 -4.797 0.878 -5.376 97 H PHE 18 H PHE 18 -3.837 1.809 -8.095 98 HA PHE 18 HA PHE 18 -5.262 -0.434 -9.328 99 HB2 PHE 18 1HB PHE 18 -4.054 1.034 -10.861 100 HB3 PHE 18 2HB PHE 18 -2.562 0.774 -9.963 101 HD1 PHE 18 2HD PHE 18 -5.224 -1.321 -11.539 102 HD2 PHE 18 1HD PHE 18 -1.065 -0.652 -10.935 103 HE1 PHE 18 2HE PHE 18 -4.709 -3.256 -12.967 104 HE2 PHE 18 1HE PHE 18 -0.543 -2.586 -12.363 105 HZ PHE 18 HZ PHE 18 -2.366 -3.892 -13.381 106 H GLU 19 H GLU 19 -4.747 -0.745 -6.631 107 HA GLU 19 HA GLU 19 -2.530 -2.687 -6.603 108 HB2 GLU 19 1HB GLU 19 -2.625 -0.561 -5.024 109 HB3 GLU 19 2HB GLU 19 -3.676 -1.600 -4.072 110 HG2 GLU 19 1HG GLU 19 -1.731 -3.324 -4.362 111 HG3 GLU 19 2HG GLU 19 -0.775 -1.876 -4.671 112 H SER 20 H SER 20 -5.191 -3.245 -7.547 113 HA SER 20 HA SER 20 -6.539 -4.715 -5.457 114 HB2 SER 20 1HB SER 20 -8.139 -5.328 -7.234 115 HB3 SER 20 2HB SER 20 -7.858 -3.587 -7.187 116 HG SER 20 HG SER 20 -7.380 -3.804 -9.216 117 H ASP 21 H ASP 21 -4.264 -5.350 -7.993 118 HA ASP 21 HA ASP 21 -4.192 -8.168 -7.171 119 HB2 ASP 21 1HB ASP 21 -4.124 -7.166 -10.025 120 HB3 ASP 21 2HB ASP 21 -3.803 -8.827 -9.536 121 H LEU 22 H LEU 22 -2.339 -7.848 -5.965 122 HA LEU 22 HA LEU 22 0.108 -7.613 -7.518 123 HB2 LEU 22 1HB LEU 22 -0.730 -5.703 -5.377 124 HB3 LEU 22 2HB LEU 22 0.978 -6.064 -5.616 125 HG LEU 22 HG LEU 22 -0.880 -4.877 -7.677 126 HD11 LEU 22 1HD1 LEU 22 -0.495 -3.150 -6.188 127 HD12 LEU 22 2HD1 LEU 22 0.812 -2.945 -7.353 128 HD13 LEU 22 3HD1 LEU 22 1.131 -3.710 -5.796 129 HD21 LEU 22 1HD2 LEU 22 1.542 -6.290 -7.992 130 HD22 LEU 22 2HD2 LEU 22 1.898 -4.584 -8.260 131 HD23 LEU 22 3HD2 LEU 22 0.643 -5.383 -9.208 132 H ASP 23 H ASP 23 2.025 -8.255 -6.277 133 HA ASP 23 HA ASP 23 1.315 -10.286 -4.281 134 HB2 ASP 23 1HB ASP 23 3.652 -9.969 -6.150 135 HB3 ASP 23 2HB ASP 23 3.724 -11.065 -4.773 136 H GLU 24 H GLU 24 1.125 -8.747 -2.560 137 HA GLU 24 HA GLU 24 3.561 -7.362 -1.751 138 HB2 GLU 24 1HB GLU 24 1.740 -5.943 -1.481 139 HB3 GLU 24 2HB GLU 24 0.689 -7.234 -0.916 140 HG2 GLU 24 1HG GLU 24 3.027 -6.501 0.757 141 HG3 GLU 24 2HG GLU 24 1.649 -5.403 0.716 142 H THR 25 H THR 25 1.529 -10.045 -0.809 143 HA THR 25 HA THR 25 2.183 -10.571 1.764 144 HB THR 25 HB THR 25 0.743 -12.029 0.369 145 HG1 THR 25 1HG THR 25 2.868 -13.291 1.790 146 HG21 THR 25 1HG2 THR 25 2.136 -12.221 -1.609 147 HG22 THR 25 2HG2 THR 25 1.812 -13.825 -0.951 148 HG23 THR 25 3HG2 THR 25 3.379 -13.061 -0.682 149 H ARG 26 H ARG 26 4.340 -10.585 -0.929 150 HA ARG 26 HA ARG 26 6.461 -11.775 0.728 151 HB2 ARG 26 1HB ARG 26 7.675 -12.122 -1.407 152 HB3 ARG 26 2HB ARG 26 6.135 -12.969 -1.348 153 HG2 ARG 26 1HG ARG 26 5.111 -11.359 -2.779 154 HG3 ARG 26 2HG ARG 26 6.526 -10.308 -2.693 155 HD2 ARG 26 1HD ARG 26 7.818 -11.746 -4.004 156 HD3 ARG 26 2HD ARG 26 6.736 -13.111 -3.734 157 HE ARG 26 HE ARG 26 5.579 -10.881 -5.170 158 HH11 ARG 26 2HH1 ARG 26 7.238 -13.935 -5.375 159 HH12 ARG 26 1HH1 ARG 26 6.726 -14.252 -6.999 160 HH21 ARG 26 2HH2 ARG 26 4.899 -11.287 -7.309 161 HH22 ARG 26 1HH2 ARG 26 5.396 -12.745 -8.098 162 H VAL 27 H VAL 27 8.317 -10.665 1.150 163 HA VAL 27 HA VAL 27 8.238 -7.832 1.016 164 HB VAL 27 HB VAL 27 10.410 -7.852 2.047 165 HG11 VAL 27 1HG1 VAL 27 8.174 -9.230 3.060 166 HG12 VAL 27 2HG1 VAL 27 9.598 -10.158 3.532 167 HG13 VAL 27 3HG1 VAL 27 9.471 -8.453 3.967 168 HG21 VAL 27 1HG2 VAL 27 10.604 -10.469 0.746 169 HG22 VAL 27 2HG2 VAL 27 11.870 -9.319 1.177 170 HG23 VAL 27 3HG2 VAL 27 11.233 -10.427 2.393 171 HA PRO 28 HA PRO 28 10.055 -7.025 -2.907 172 HB2 PRO 28 1HB PRO 28 11.179 -4.605 -2.404 173 HB3 PRO 28 2HB PRO 28 9.436 -4.836 -2.583 174 HG2 PRO 28 1HG PRO 28 11.069 -4.606 -0.085 175 HG3 PRO 28 2HG PRO 28 9.502 -3.871 -0.468 176 HD2 PRO 28 1HD PRO 28 9.734 -6.087 1.070 177 HD3 PRO 28 2HD PRO 28 8.337 -5.801 0.013 178 H GLU 29 H GLU 29 11.668 -8.575 -3.122 179 HA GLU 29 HA GLU 29 14.029 -8.827 -1.748 180 HB2 GLU 29 1HB GLU 29 13.419 -9.345 -4.656 181 HB3 GLU 29 2HB GLU 29 14.955 -9.778 -3.919 182 HG2 GLU 29 1HG GLU 29 12.400 -10.724 -2.704 183 HG3 GLU 29 2HG GLU 29 13.069 -11.543 -4.115 184 H VAL 30 H VAL 30 16.270 -8.357 -2.553 185 HA VAL 30 HA VAL 30 16.955 -5.759 -2.450 186 HB VAL 30 HB VAL 30 18.670 -7.434 -2.437 187 HG11 VAL 30 1HG1 VAL 30 17.735 -9.043 -3.960 188 HG12 VAL 30 2HG1 VAL 30 17.925 -7.930 -5.316 189 HG13 VAL 30 3HG1 VAL 30 19.348 -8.602 -4.519 190 HG21 VAL 30 1HG2 VAL 30 18.887 -5.420 -4.651 191 HG22 VAL 30 2HG2 VAL 30 19.580 -5.361 -3.030 192 HG23 VAL 30 3HG2 VAL 30 20.234 -6.477 -4.229 193 HA PRO 31 HA PRO 31 15.385 -3.779 -6.071 194 HB2 PRO 31 1HB PRO 31 16.865 -1.508 -5.927 195 HB3 PRO 31 2HB PRO 31 15.496 -1.831 -4.857 196 HG2 PRO 31 1HG PRO 31 18.425 -2.168 -4.338 197 HG3 PRO 31 2HG PRO 31 17.171 -1.495 -3.280 198 HD2 PRO 31 1HD PRO 31 18.101 -4.023 -3.011 199 HD3 PRO 31 2HD PRO 31 16.426 -3.576 -2.629 200 H SER 32 H SER 32 16.124 -2.913 -8.136 201 HA SER 32 HA SER 32 17.842 -4.503 -9.525 202 HB2 SER 32 1HB SER 32 17.584 -3.056 -11.301 203 HB3 SER 32 2HB SER 32 16.257 -2.513 -10.274 204 HG SER 32 HG SER 32 18.834 -1.352 -10.520 205 H SER 33 H SER 33 18.662 -1.407 -7.986 206 HA SER 33 HA SER 33 21.259 -2.211 -7.265 207 HB2 SER 33 1HB SER 33 22.634 -0.974 -8.811 208 HB3 SER 33 2HB SER 33 21.580 -2.031 -9.750 209 HG SER 33 HG SER 33 21.628 0.078 -10.612 210 H LEU 34 H LEU 34 22.657 -0.013 -6.945 211 HA LEU 34 HA LEU 34 20.974 2.193 -6.095 212 HB2 LEU 34 1HB LEU 34 20.783 1.151 -4.071 213 HB3 LEU 34 2HB LEU 34 22.325 0.314 -4.234 214 HG LEU 34 HG LEU 34 23.381 2.636 -3.867 215 HD11 LEU 34 1HD1 LEU 34 20.812 3.222 -2.452 216 HD12 LEU 34 2HD1 LEU 34 21.046 3.707 -4.131 217 HD13 LEU 34 3HD1 LEU 34 22.129 4.315 -2.879 218 HD21 LEU 34 1HD2 LEU 34 22.349 0.647 -2.036 219 HD22 LEU 34 2HD2 LEU 34 22.456 2.238 -1.281 220 HD23 LEU 34 3HD2 LEU 34 23.887 1.511 -2.015 221 H HIS 35 H HIS 35 21.969 3.880 -6.966 222 HA HIS 35 HA HIS 35 24.891 3.895 -7.152 223 HB2 HIS 35 1HB HIS 35 23.796 4.358 -9.237 224 HB3 HIS 35 2HB HIS 35 22.767 5.577 -8.490 225 HD1 HIS 35 1HD HIS 35 23.679 7.927 -8.321 226 HD2 HIS 35 2HD HIS 35 26.519 5.174 -9.593 227 HE1 HIS 35 1HE HIS 35 25.658 9.293 -9.056 228 HE2 HIS 35 2HE HIS 35 27.331 7.611 -9.901 229 H VAL 36 H VAL 36 26.151 5.566 -6.337 230 HA VAL 36 HA VAL 36 24.815 7.545 -4.630 231 HB VAL 36 HB VAL 36 26.723 7.181 -2.960 232 HG11 VAL 36 1HG1 VAL 36 24.173 6.013 -3.224 233 HG12 VAL 36 2HG1 VAL 36 25.247 4.760 -2.597 234 HG13 VAL 36 3HG1 VAL 36 25.090 6.297 -1.744 235 HG21 VAL 36 1HG2 VAL 36 27.732 5.508 -4.800 236 HG22 VAL 36 2HG2 VAL 36 28.071 5.366 -3.075 237 HG23 VAL 36 3HG2 VAL 36 26.830 4.356 -3.816 238 H ARG 37 H ARG 37 25.712 9.535 -4.670 239 HA ARG 37 HA ARG 37 28.238 9.840 -6.160 240 HB2 ARG 37 1HB ARG 37 25.917 10.732 -7.080 241 HB3 ARG 37 2HB ARG 37 26.267 12.073 -5.998 242 HG2 ARG 37 1HG ARG 37 28.386 11.180 -7.882 243 HG3 ARG 37 2HG ARG 37 27.023 12.107 -8.512 244 HD2 ARG 37 1HD ARG 37 27.492 13.794 -6.693 245 HD3 ARG 37 2HD ARG 37 28.991 12.920 -6.385 246 HE ARG 37 HE ARG 37 28.430 14.678 -8.588 247 HH11 ARG 37 2HH1 ARG 37 30.374 12.015 -7.474 248 HH12 ARG 37 1HH1 ARG 37 31.668 12.325 -8.584 249 HH21 ARG 37 2HH2 ARG 37 30.126 15.097 -10.054 250 HH22 ARG 37 1HH2 ARG 37 31.526 14.079 -10.051 251 HA PRO 38 HA PRO 38 29.521 11.435 -2.163 252 HB2 PRO 38 1HB PRO 38 32.149 11.615 -2.819 253 HB3 PRO 38 2HB PRO 38 31.374 10.092 -2.367 254 HG2 PRO 38 1HG PRO 38 32.009 11.159 -5.091 255 HG3 PRO 38 2HG PRO 38 32.213 9.515 -4.457 256 HD2 PRO 38 1HD PRO 38 30.125 10.222 -6.031 257 HD3 PRO 38 2HD PRO 38 29.990 8.987 -4.762 258 H LEU 39 H LEU 39 29.198 13.507 -1.674 259 HA LEU 39 HA LEU 39 30.203 15.568 -3.524 260 HB2 LEU 39 1HB LEU 39 27.722 15.338 -1.914 261 HB3 LEU 39 2HB LEU 39 28.430 16.943 -2.089 262 HG LEU 39 HG LEU 39 28.393 16.240 -4.660 263 HD11 LEU 39 1HD1 LEU 39 26.086 14.729 -3.442 264 HD12 LEU 39 2HD1 LEU 39 27.476 14.024 -4.265 265 HD13 LEU 39 3HD1 LEU 39 26.332 15.020 -5.164 266 HD21 LEU 39 1HD2 LEU 39 25.743 17.079 -3.691 267 HD22 LEU 39 2HD2 LEU 39 26.825 17.846 -4.854 268 HD23 LEU 39 3HD2 LEU 39 27.104 18.046 -3.124 269 H VAL 40 H VAL 40 31.034 17.522 -2.594 270 HA VAL 40 HA VAL 40 33.044 17.464 -0.909 271 HB VAL 40 HB VAL 40 30.921 19.610 -0.790 272 HG11 VAL 40 1HG1 VAL 40 33.220 20.884 -0.205 273 HG12 VAL 40 2HG1 VAL 40 32.114 20.253 1.017 274 HG13 VAL 40 3HG1 VAL 40 33.535 19.320 0.544 275 HG21 VAL 40 1HG2 VAL 40 32.837 18.865 -2.791 276 HG22 VAL 40 2HG2 VAL 40 31.608 20.129 -2.839 277 HG23 VAL 40 3HG2 VAL 40 33.204 20.476 -2.174 278 H THR 41 H THR 41 29.907 18.411 0.494 279 HA THR 41 HA THR 41 30.680 16.968 2.946 280 HB THR 41 HB THR 41 29.258 18.617 4.183 281 HG1 THR 41 1HG THR 41 28.106 19.944 3.020 282 HG21 THR 41 1HG2 THR 41 31.014 20.586 3.348 283 HG22 THR 41 2HG2 THR 41 31.849 19.085 2.947 284 HG23 THR 41 3HG2 THR 41 31.318 19.385 4.602 285 H SER 42 H SER 42 28.676 16.821 0.381 286 HA SER 42 HA SER 42 26.515 15.570 1.947 287 HB2 SER 42 1HB SER 42 25.125 16.065 -0.186 288 HB3 SER 42 2HB SER 42 25.469 17.397 0.917 289 HG SER 42 HG SER 42 25.997 17.322 -1.624 290 H ILE 43 H ILE 43 25.186 14.117 0.225 291 HA ILE 43 HA ILE 43 26.867 12.664 -1.601 292 HB ILE 43 HB ILE 43 25.921 11.279 0.911 293 HG12 ILE 43 1HG1 ILE 43 28.688 11.932 -0.122 294 HG13 ILE 43 2HG1 ILE 43 27.924 12.576 1.327 295 HG21 ILE 43 1HG2 ILE 43 26.011 9.364 -0.203 296 HG22 ILE 43 2HG2 ILE 43 26.341 10.256 -1.687 297 HG23 ILE 43 3HG2 ILE 43 27.675 9.696 -0.680 298 HD11 ILE 43 1HD1 ILE 43 27.811 9.914 1.813 299 HD12 ILE 43 2HD1 ILE 43 29.312 10.039 0.894 300 HD13 ILE 43 3HD1 ILE 43 29.097 10.986 2.366 301 H VAL 44 H VAL 44 25.437 12.693 -3.230 302 HA VAL 44 HA VAL 44 22.620 12.443 -2.870 303 HB VAL 44 HB VAL 44 24.301 12.253 -5.372 304 HG11 VAL 44 1HG1 VAL 44 22.483 11.782 -6.572 305 HG12 VAL 44 2HG1 VAL 44 21.690 11.385 -5.047 306 HG13 VAL 44 3HG1 VAL 44 21.524 13.001 -5.733 307 HG21 VAL 44 1HG2 VAL 44 24.400 14.468 -5.283 308 HG22 VAL 44 2HG2 VAL 44 22.638 14.555 -5.271 309 HG23 VAL 44 3HG2 VAL 44 23.526 14.449 -3.751 310 H VAL 45 H VAL 45 21.636 10.615 -2.334 311 HA VAL 45 HA VAL 45 22.752 8.064 -3.287 312 HB VAL 45 HB VAL 45 20.875 8.601 -0.981 313 HG11 VAL 45 1HG1 VAL 45 21.187 6.258 -2.494 314 HG12 VAL 45 2HG1 VAL 45 22.055 5.987 -0.982 315 HG13 VAL 45 3HG1 VAL 45 20.351 6.443 -0.952 316 HG21 VAL 45 1HG2 VAL 45 22.645 8.571 0.406 317 HG22 VAL 45 2HG2 VAL 45 23.480 7.323 -0.518 318 HG23 VAL 45 3HG2 VAL 45 23.556 9.005 -1.040 319 H SER 46 H SER 46 21.812 7.687 -5.224 320 HA SER 46 HA SER 46 18.885 7.915 -5.408 321 HB2 SER 46 1HB SER 46 19.758 9.173 -7.171 322 HB3 SER 46 2HB SER 46 21.083 8.043 -7.451 323 HG SER 46 HG SER 46 18.337 7.623 -8.033 324 H TRP 47 H TRP 47 17.675 6.141 -5.549 325 HA TRP 47 HA TRP 47 18.990 3.599 -6.249 326 HB2 TRP 47 1HB TRP 47 17.592 2.457 -4.593 327 HB3 TRP 47 2HB TRP 47 18.582 3.697 -3.827 328 HD1 TRP 47 HD TRP 47 14.953 2.834 -4.631 329 HE1 TRP 47 1HE TRP 47 13.412 4.402 -3.292 330 HE3 TRP 47 3HE TRP 47 18.475 6.039 -2.771 331 HZ2 TRP 47 2HZ TRP 47 13.657 6.695 -1.664 332 HZ3 TRP 47 3HZ TRP 47 17.739 7.894 -1.332 333 HH2 TRP 47 HH TRP 47 15.380 8.213 -0.791 334 H THR 48 H THR 48 17.122 1.870 -6.588 335 HA THR 48 HA THR 48 14.888 3.052 -8.062 336 HB THR 48 HB THR 48 15.274 1.460 -9.958 337 HG1 THR 48 1HG THR 48 17.965 1.267 -9.180 338 HG21 THR 48 1HG2 THR 48 17.375 2.774 -10.798 339 HG22 THR 48 2HG2 THR 48 17.136 3.711 -9.323 340 HG23 THR 48 3HG2 THR 48 15.853 3.623 -10.530 341 HA PRO 49 HA PRO 49 12.563 -0.237 -6.310 342 HB2 PRO 49 1HB PRO 49 10.647 -0.578 -8.202 343 HB3 PRO 49 2HB PRO 49 10.691 0.819 -7.121 344 HG2 PRO 49 1HG PRO 49 11.627 0.587 -9.955 345 HG3 PRO 49 2HG PRO 49 10.720 1.899 -9.180 346 HD2 PRO 49 1HD PRO 49 13.389 2.034 -9.620 347 HD3 PRO 49 2HD PRO 49 12.610 2.811 -8.226 348 HA PRO 50 HA PRO 50 13.854 -4.117 -7.935 349 HB2 PRO 50 1HB PRO 50 11.847 -5.738 -7.089 350 HB3 PRO 50 2HB PRO 50 13.059 -5.060 -5.996 351 HG2 PRO 50 1HG PRO 50 10.265 -4.132 -6.534 352 HG3 PRO 50 2HG PRO 50 11.118 -4.272 -4.986 353 HD2 PRO 50 1HD PRO 50 10.823 -1.911 -6.278 354 HD3 PRO 50 2HD PRO 50 12.246 -2.284 -5.284 355 H GLU 51 H GLU 51 13.763 -5.056 -9.881 356 HA GLU 51 HA GLU 51 12.230 -4.348 -11.972 357 HB2 GLU 51 1HB GLU 51 13.146 -7.179 -11.430 358 HB3 GLU 51 2HB GLU 51 12.705 -6.526 -13.002 359 HG2 GLU 51 1HG GLU 51 14.638 -5.349 -13.216 360 HG3 GLU 51 2HG GLU 51 14.832 -5.134 -11.477 361 H ASN 52 H ASN 52 11.351 -6.744 -9.535 362 HA ASN 52 HA ASN 52 8.880 -7.438 -10.830 363 HB2 ASN 52 1HB ASN 52 10.230 -8.965 -9.316 364 HB3 ASN 52 2HB ASN 52 9.645 -8.001 -7.963 365 HD21 ASN 52 1HD2 ASN 52 9.028 -10.600 -9.989 366 HD22 ASN 52 2HD2 ASN 52 7.387 -10.894 -9.536 367 H GLN 53 H GLN 53 8.490 -4.942 -10.892 368 HA GLN 53 HA GLN 53 7.764 -3.395 -8.769 369 HB2 GLN 53 1HB GLN 53 7.612 -3.050 -11.410 370 HB3 GLN 53 2HB GLN 53 5.911 -3.369 -11.098 371 HG2 GLN 53 1HG GLN 53 7.384 -1.336 -9.481 372 HG3 GLN 53 2HG GLN 53 6.778 -0.936 -11.087 373 HE21 GLN 53 1HE2 GLN 53 6.065 -0.955 -7.861 374 HE22 GLN 53 2HE2 GLN 53 4.344 -0.834 -7.952 375 H ASN 54 H ASN 54 6.058 -6.140 -10.063 376 HA ASN 54 HA ASN 54 3.500 -5.826 -9.163 377 HB2 ASN 54 1HB ASN 54 5.280 -8.232 -9.350 378 HB3 ASN 54 2HB ASN 54 3.668 -8.391 -8.659 379 HD21 ASN 54 1HD2 ASN 54 5.515 -7.775 -11.522 380 HD22 ASN 54 2HD2 ASN 54 4.207 -7.909 -12.644 381 H ILE 55 H ILE 55 6.353 -6.614 -7.265 382 HA ILE 55 HA ILE 55 4.921 -7.148 -4.848 383 HB ILE 55 HB ILE 55 7.837 -6.505 -5.301 384 HG12 ILE 55 1HG1 ILE 55 6.741 -9.184 -4.527 385 HG13 ILE 55 2HG1 ILE 55 6.674 -8.676 -6.211 386 HG21 ILE 55 1HG2 ILE 55 8.109 -7.527 -3.014 387 HG22 ILE 55 2HG2 ILE 55 7.360 -5.932 -3.052 388 HG23 ILE 55 3HG2 ILE 55 6.363 -7.369 -2.825 389 HD11 ILE 55 1HD1 ILE 55 8.747 -9.389 -6.460 390 HD12 ILE 55 2HD1 ILE 55 9.286 -8.156 -5.319 391 HD13 ILE 55 3HD1 ILE 55 8.858 -9.766 -4.741 392 H VAL 56 H VAL 56 4.016 -5.714 -3.541 393 HA VAL 56 HA VAL 56 4.093 -2.945 -3.939 394 HB VAL 56 HB VAL 56 3.281 -4.552 -1.518 395 HG11 VAL 56 1HG1 VAL 56 2.000 -2.258 -1.118 396 HG12 VAL 56 2HG1 VAL 56 3.610 -2.563 -0.462 397 HG13 VAL 56 3HG1 VAL 56 3.423 -1.620 -1.941 398 HG21 VAL 56 1HG2 VAL 56 1.824 -3.347 -3.847 399 HG22 VAL 56 2HG2 VAL 56 1.779 -5.006 -3.250 400 HG23 VAL 56 3HG2 VAL 56 0.992 -3.719 -2.336 401 H VAL 57 H VAL 57 5.108 -1.270 -2.835 402 HA VAL 57 HA VAL 57 7.279 -1.999 -0.998 403 HB VAL 57 HB VAL 57 7.585 -0.138 -3.358 404 HG11 VAL 57 1HG1 VAL 57 8.758 0.545 -1.236 405 HG12 VAL 57 2HG1 VAL 57 9.696 -0.944 -1.369 406 HG13 VAL 57 3HG1 VAL 57 9.803 0.283 -2.632 407 HG21 VAL 57 1HG2 VAL 57 8.672 -2.879 -2.766 408 HG22 VAL 57 2HG2 VAL 57 7.713 -2.362 -4.153 409 HG23 VAL 57 3HG2 VAL 57 9.380 -1.812 -3.978 410 H ARG 58 H ARG 58 6.811 -0.992 0.841 411 HA ARG 58 HA ARG 58 5.237 1.409 0.916 412 HB2 ARG 58 1HB ARG 58 6.549 -0.321 2.991 413 HB3 ARG 58 2HB ARG 58 5.878 1.245 3.428 414 HG2 ARG 58 1HG ARG 58 4.300 -0.914 2.052 415 HG3 ARG 58 2HG ARG 58 4.364 -0.706 3.803 416 HD2 ARG 58 1HD ARG 58 3.464 1.551 3.575 417 HD3 ARG 58 2HD ARG 58 3.428 1.367 1.822 418 HE ARG 58 HE ARG 58 1.529 0.081 2.017 419 HH11 ARG 58 2HH1 ARG 58 2.951 0.574 5.156 420 HH12 ARG 58 1HH1 ARG 58 1.590 -0.065 6.017 421 HH21 ARG 58 2HH2 ARG 58 -0.269 -0.762 3.139 422 HH22 ARG 58 1HH2 ARG 58 -0.241 -0.826 4.869 423 H GLY 59 H GLY 59 8.626 0.567 1.515 424 HA2 GLY 59 1HA GLY 59 9.619 3.055 0.677 425 HA3 GLY 59 2HA GLY 59 9.475 3.088 2.428 426 H TYR 60 H TYR 60 11.906 3.455 1.844 427 HA TYR 60 HA TYR 60 13.227 0.833 2.065 428 HB2 TYR 60 1HB TYR 60 14.593 3.171 0.768 429 HB3 TYR 60 2HB TYR 60 14.952 1.454 0.616 430 HD1 TYR 60 2HD TYR 60 12.596 4.118 -0.396 431 HD2 TYR 60 1HD TYR 60 13.920 0.130 -1.063 432 HE1 TYR 60 2HE TYR 60 11.277 4.033 -2.470 433 HE2 TYR 60 1HE TYR 60 12.606 0.034 -3.140 434 HH TYR 60 HH TYR 60 11.672 1.635 -4.802 435 H ALA 61 H ALA 61 15.567 1.169 2.904 436 HA ALA 61 HA ALA 61 15.609 3.263 4.969 437 HB1 ALA 61 1HB ALA 61 15.785 1.829 6.681 438 HB2 ALA 61 2HB ALA 61 15.083 0.657 5.565 439 HB3 ALA 61 3HB ALA 61 16.831 0.730 5.782 440 H ILE 62 H ILE 62 17.291 4.517 4.505 441 HA ILE 62 HA ILE 62 19.673 3.353 3.270 442 HB ILE 62 HB ILE 62 18.951 6.252 3.716 443 HG12 ILE 62 1HG1 ILE 62 19.090 4.891 1.047 444 HG13 ILE 62 2HG1 ILE 62 17.634 4.747 2.026 445 HG21 ILE 62 1HG2 ILE 62 21.016 6.800 3.108 446 HG22 ILE 62 2HG2 ILE 62 21.449 5.096 3.230 447 HG23 ILE 62 3HG2 ILE 62 20.926 5.764 1.684 448 HD11 ILE 62 1HD1 ILE 62 16.948 6.748 1.386 449 HD12 ILE 62 2HD1 ILE 62 18.471 7.487 1.881 450 HD13 ILE 62 3HD1 ILE 62 18.309 6.799 0.266 451 H GLY 63 H GLY 63 21.420 2.893 4.429 452 HA2 GLY 63 1HA GLY 63 21.763 4.264 7.026 453 HA3 GLY 63 2HA GLY 63 22.153 2.568 6.780 454 H TYR 64 H TYR 64 23.580 5.371 7.297 455 HA TYR 64 HA TYR 64 25.858 4.762 5.529 456 HB2 TYR 64 1HB TYR 64 26.422 7.234 5.811 457 HB3 TYR 64 2HB TYR 64 25.038 6.854 4.794 458 HD1 TYR 64 1HD TYR 64 22.710 6.923 5.954 459 HD2 TYR 64 2HD TYR 64 26.197 8.790 7.521 460 HE1 TYR 64 1HE TYR 64 21.297 8.407 7.315 461 HE2 TYR 64 2HE TYR 64 24.794 10.278 8.888 462 HH TYR 64 HH TYR 64 21.386 10.502 8.450 463 H GLY 65 H GLY 65 27.982 5.362 6.406 464 HA2 GLY 65 1HA GLY 65 28.619 6.154 8.938 465 HA3 GLY 65 2HA GLY 65 28.230 4.450 9.123 466 H ILE 66 H ILE 66 30.723 6.504 8.782 467 HA ILE 66 HA ILE 66 32.413 5.580 6.836 468 HB ILE 66 HB ILE 66 33.201 6.310 9.659 469 HG12 ILE 66 1HG1 ILE 66 33.210 8.082 7.217 470 HG13 ILE 66 2HG1 ILE 66 31.834 7.989 8.311 471 HG21 ILE 66 1HG2 ILE 66 34.808 5.135 7.845 472 HG22 ILE 66 2HG2 ILE 66 35.023 6.828 7.404 473 HG23 ILE 66 3HG2 ILE 66 35.372 6.295 9.048 474 HD11 ILE 66 1HD1 ILE 66 33.183 8.798 10.135 475 HD12 ILE 66 2HD1 ILE 66 34.620 8.790 9.112 476 HD13 ILE 66 3HD1 ILE 66 33.298 9.904 8.766 477 H GLY 67 H GLY 67 33.236 3.660 6.348 478 HA2 GLY 67 1HA GLY 67 34.267 1.607 6.654 479 HA3 GLY 67 2HA GLY 67 34.208 1.873 8.390 480 H SER 68 H SER 68 31.504 2.195 8.809 481 HA SER 68 HA SER 68 30.251 -0.226 7.734 482 HB2 SER 68 1HB SER 68 30.362 0.425 10.689 483 HB3 SER 68 2HB SER 68 29.554 -0.960 9.954 484 HG SER 68 HG SER 68 32.242 -0.526 10.449 485 HA PRO 69 HA PRO 69 26.872 2.608 7.340 486 HB2 PRO 69 1HB PRO 69 24.997 0.787 6.606 487 HB3 PRO 69 2HB PRO 69 26.257 1.363 5.509 488 HG2 PRO 69 1HG PRO 69 26.146 -1.168 7.104 489 HG3 PRO 69 2HG PRO 69 26.661 -0.926 5.424 490 HD2 PRO 69 1HD PRO 69 28.422 -1.185 7.465 491 HD3 PRO 69 2HD PRO 69 28.752 -0.177 6.041 492 H HIS 70 H HIS 70 27.320 0.387 9.760 493 HA HIS 70 HA HIS 70 24.674 0.465 10.908 494 HB2 HIS 70 1HB HIS 70 25.590 -0.853 12.696 495 HB3 HIS 70 2HB HIS 70 26.238 -1.476 11.181 496 HD1 HIS 70 1HD HIS 70 27.802 -2.206 13.587 497 HD2 HIS 70 2HD HIS 70 28.436 1.367 11.564 498 HE1 HIS 70 1HE HIS 70 30.137 -1.497 14.191 499 HE2 HIS 70 2HE HIS 70 30.468 0.710 13.023 500 H ALA 71 H ALA 71 25.368 3.029 10.498 501 HA ALA 71 HA ALA 71 26.101 4.029 13.173 502 HB1 ALA 71 1HB ALA 71 27.480 4.578 10.970 503 HB2 ALA 71 2HB ALA 71 26.252 5.837 10.828 504 HB3 ALA 71 3HB ALA 71 27.269 5.756 12.267 505 H GLN 72 H GLN 72 24.176 4.914 10.301 506 HA GLN 72 HA GLN 72 22.016 5.756 12.091 507 HB2 GLN 72 1HB GLN 72 23.356 7.437 9.993 508 HB3 GLN 72 2HB GLN 72 21.680 7.725 10.441 509 HG2 GLN 72 1HG GLN 72 22.309 8.168 12.717 510 HG3 GLN 72 2HG GLN 72 23.983 7.733 12.375 511 HE21 GLN 72 1HE2 GLN 72 25.331 9.233 11.571 512 HE22 GLN 72 2HE2 GLN 72 24.877 10.855 11.185 513 H THR 73 H THR 73 19.962 6.164 10.840 514 HA THR 73 HA THR 73 19.793 4.631 8.354 515 HB THR 73 HB THR 73 17.879 4.114 10.631 516 HG1 THR 73 1HG THR 73 19.457 2.931 11.402 517 HG21 THR 73 1HG2 THR 73 18.190 2.066 8.600 518 HG22 THR 73 2HG2 THR 73 17.686 3.608 7.908 519 HG23 THR 73 3HG2 THR 73 16.727 2.859 9.184 520 H ILE 74 H ILE 74 18.337 5.422 6.929 521 HA ILE 74 HA ILE 74 16.498 7.518 7.879 522 HB ILE 74 HB ILE 74 18.075 7.524 5.304 523 HG12 ILE 74 1HG1 ILE 74 18.145 9.513 7.576 524 HG13 ILE 74 2HG1 ILE 74 19.268 8.164 7.446 525 HG21 ILE 74 1HG2 ILE 74 16.263 8.621 4.543 526 HG22 ILE 74 2HG2 ILE 74 15.670 8.980 6.164 527 HG23 ILE 74 3HG2 ILE 74 16.942 9.972 5.451 528 HD11 ILE 74 1HD1 ILE 74 19.992 9.051 5.250 529 HD12 ILE 74 2HD1 ILE 74 18.956 10.453 5.522 530 HD13 ILE 74 3HD1 ILE 74 20.315 10.138 6.601 531 H LYS 75 H LYS 75 14.477 6.855 7.631 532 HA LYS 75 HA LYS 75 13.830 4.998 5.454 533 HB2 LYS 75 1HB LYS 75 12.262 5.750 7.927 534 HB3 LYS 75 2HB LYS 75 11.731 4.598 6.710 535 HG2 LYS 75 1HG LYS 75 14.371 4.150 7.990 536 HG3 LYS 75 2HG LYS 75 12.916 3.831 8.938 537 HD2 LYS 75 1HD LYS 75 12.149 2.504 6.844 538 HD3 LYS 75 2HD LYS 75 13.861 2.517 6.418 539 HE2 LYS 75 1HE LYS 75 14.460 1.299 8.329 540 HE3 LYS 75 2HE LYS 75 12.922 1.627 9.126 541 HZ1 LYS 75 1HZ LYS 75 12.657 0.227 6.625 542 HZ2 LYS 75 2HZ LYS 75 11.958 -0.104 8.129 543 HZ3 LYS 75 3HZ LYS 75 13.527 -0.639 7.790 544 H VAL 76 H VAL 76 13.011 5.841 3.664 545 HA VAL 76 HA VAL 76 11.341 8.262 3.883 546 HB VAL 76 HB VAL 76 12.038 8.808 1.566 547 HG11 VAL 76 1HG1 VAL 76 13.300 10.126 2.885 548 HG12 VAL 76 2HG1 VAL 76 13.822 8.784 3.905 549 HG13 VAL 76 3HG1 VAL 76 14.612 9.075 2.355 550 HG21 VAL 76 1HG2 VAL 76 14.438 7.238 1.491 551 HG22 VAL 76 2HG2 VAL 76 13.030 6.181 1.597 552 HG23 VAL 76 3HG2 VAL 76 13.149 7.363 0.294 553 H ASP 77 H ASP 77 9.817 8.507 1.985 554 HA ASP 77 HA ASP 77 8.248 6.107 1.774 555 HB2 ASP 77 1HB ASP 77 7.747 8.700 0.315 556 HB3 ASP 77 2HB ASP 77 6.574 7.469 0.776 557 H TYR 78 H TYR 78 7.342 5.436 -0.378 558 HA TYR 78 HA TYR 78 9.378 4.537 -2.057 559 HB2 TYR 78 1HB TYR 78 7.497 4.009 -3.659 560 HB3 TYR 78 2HB TYR 78 7.306 3.356 -2.035 561 HD1 TYR 78 2HD TYR 78 5.648 4.326 -0.496 562 HD2 TYR 78 1HD TYR 78 5.999 5.681 -4.514 563 HE1 TYR 78 2HE TYR 78 3.444 5.403 -0.319 564 HE2 TYR 78 1HE TYR 78 3.796 6.763 -4.347 565 HH TYR 78 HH TYR 78 1.644 6.335 -2.838 566 H LYS 79 H LYS 79 7.125 7.248 -2.473 567 HA LYS 79 HA LYS 79 7.691 8.097 -4.994 568 HB2 LYS 79 1HB LYS 79 7.419 9.891 -2.575 569 HB3 LYS 79 2HB LYS 79 7.178 10.375 -4.248 570 HG2 LYS 79 1HG LYS 79 5.184 9.211 -4.434 571 HG3 LYS 79 2HG LYS 79 5.555 8.161 -3.065 572 HD2 LYS 79 1HD LYS 79 4.966 9.757 -1.510 573 HD3 LYS 79 2HD LYS 79 5.275 11.098 -2.615 574 HE2 LYS 79 1HE LYS 79 3.025 9.139 -3.011 575 HE3 LYS 79 2HE LYS 79 2.847 10.620 -2.070 576 HZ1 LYS 79 1HZ LYS 79 2.166 10.746 -4.471 577 HZ2 LYS 79 2HZ LYS 79 3.804 10.616 -4.873 578 HZ3 LYS 79 3HZ LYS 79 3.259 11.933 -3.961 579 H GLN 80 H GLN 80 9.587 8.842 -2.082 580 HA GLN 80 HA GLN 80 11.488 10.511 -3.199 581 HB2 GLN 80 1HB GLN 80 11.582 8.562 -0.920 582 HB3 GLN 80 2HB GLN 80 13.028 9.443 -1.394 583 HG2 GLN 80 1HG GLN 80 10.455 10.516 -0.300 584 HG3 GLN 80 2HG GLN 80 12.090 10.700 0.333 585 HE21 GLN 80 1HE2 GLN 80 9.665 12.245 -1.236 586 HE22 GLN 80 2HE2 GLN 80 10.570 13.485 -2.029 587 H ARG 81 H ARG 81 12.670 10.170 -4.956 588 HA ARG 81 HA ARG 81 13.373 7.509 -5.814 589 HB2 ARG 81 1HB ARG 81 12.799 9.667 -7.230 590 HB3 ARG 81 2HB ARG 81 14.527 9.956 -7.079 591 HG2 ARG 81 1HG ARG 81 13.316 7.426 -8.173 592 HG3 ARG 81 2HG ARG 81 13.882 8.777 -9.158 593 HD2 ARG 81 1HD ARG 81 16.117 8.489 -7.960 594 HD3 ARG 81 2HD ARG 81 15.484 6.941 -7.400 595 HE ARG 81 HE ARG 81 15.732 6.096 -9.525 596 HH11 ARG 81 2HH1 ARG 81 16.153 9.552 -9.573 597 HH12 ARG 81 1HH1 ARG 81 16.746 9.588 -11.201 598 HH21 ARG 81 2HH2 ARG 81 16.512 6.131 -11.669 599 HH22 ARG 81 1HH2 ARG 81 16.949 7.642 -12.392 600 H TYR 82 H TYR 82 15.039 10.314 -4.469 601 HA TYR 82 HA TYR 82 17.286 8.582 -3.768 602 HB2 TYR 82 1HB TYR 82 18.937 10.181 -4.574 603 HB3 TYR 82 2HB TYR 82 17.901 9.668 -5.901 604 HD1 TYR 82 2HD TYR 82 16.312 11.216 -6.910 605 HD2 TYR 82 1HD TYR 82 18.867 12.456 -3.742 606 HE1 TYR 82 2HE TYR 82 15.803 13.566 -7.428 607 HE2 TYR 82 1HE TYR 82 18.364 14.809 -4.250 608 HH TYR 82 HH TYR 82 17.558 16.076 -6.494 609 H TYR 83 H TYR 83 18.904 9.959 -2.389 610 HA TYR 83 HA TYR 83 17.463 11.870 -0.699 611 HB2 TYR 83 1HB TYR 83 17.355 9.496 0.243 612 HB3 TYR 83 2HB TYR 83 19.089 9.637 0.512 613 HD1 TYR 83 2HD TYR 83 19.963 11.215 2.175 614 HD2 TYR 83 1HD TYR 83 15.778 10.695 1.614 615 HE1 TYR 83 2HE TYR 83 19.542 12.332 4.325 616 HE2 TYR 83 1HE TYR 83 15.345 11.812 3.762 617 HH TYR 83 HH TYR 83 17.728 13.551 5.441 618 H THR 84 H THR 84 18.669 13.567 -0.119 619 HA THR 84 HA THR 84 21.504 13.542 -0.852 620 HB THR 84 HB THR 84 19.695 15.873 -0.185 621 HG1 THR 84 1HG THR 84 20.155 16.237 -2.540 622 HG21 THR 84 1HG2 THR 84 21.469 17.319 -0.768 623 HG22 THR 84 2HG2 THR 84 22.437 15.997 -1.419 624 HG23 THR 84 3HG2 THR 84 22.178 16.127 0.320 625 H ILE 85 H ILE 85 22.464 12.538 0.897 626 HA ILE 85 HA ILE 85 21.892 13.234 3.601 627 HB ILE 85 HB ILE 85 24.358 11.860 2.532 628 HG12 ILE 85 1HG1 ILE 85 21.774 10.635 3.520 629 HG13 ILE 85 2HG1 ILE 85 22.251 10.745 1.829 630 HG21 ILE 85 1HG2 ILE 85 23.167 11.423 5.235 631 HG22 ILE 85 2HG2 ILE 85 24.826 11.188 4.689 632 HG23 ILE 85 3HG2 ILE 85 24.206 12.818 4.946 633 HD11 ILE 85 1HD1 ILE 85 22.653 8.574 3.290 634 HD12 ILE 85 2HD1 ILE 85 23.759 9.067 2.007 635 HD13 ILE 85 3HD1 ILE 85 24.140 9.433 3.689 636 H GLU 86 H GLU 86 22.405 15.105 4.512 637 HA GLU 86 HA GLU 86 24.875 16.461 3.654 638 HB2 GLU 86 1HB GLU 86 22.360 17.634 4.852 639 HB3 GLU 86 2HB GLU 86 23.814 18.547 4.475 640 HG2 GLU 86 1HG GLU 86 23.537 17.828 2.093 641 HG3 GLU 86 2HG GLU 86 21.970 17.162 2.548 642 H ASN 87 H ASN 87 25.722 17.977 5.455 643 HA ASN 87 HA ASN 87 26.626 18.256 7.528 644 HB2 ASN 87 1HB ASN 87 24.600 16.264 8.553 645 HB3 ASN 87 2HB ASN 87 25.449 17.503 9.472 646 HD21 ASN 87 1HD2 ASN 87 22.619 16.721 7.943 647 HD22 ASN 87 2HD2 ASN 87 21.940 18.303 7.794 648 H LEU 88 H LEU 88 27.930 16.587 5.860 649 HA LEU 88 HA LEU 88 28.785 14.367 7.599 650 HB2 LEU 88 1HB LEU 88 29.028 14.520 4.600 651 HB3 LEU 88 2HB LEU 88 29.444 13.148 5.626 652 HG LEU 88 HG LEU 88 26.632 14.193 5.431 653 HD11 LEU 88 1HD1 LEU 88 26.154 12.688 3.680 654 HD12 LEU 88 2HD1 LEU 88 27.741 11.928 3.795 655 HD13 LEU 88 3HD1 LEU 88 27.594 13.573 3.176 656 HD21 LEU 88 1HD2 LEU 88 28.006 11.874 6.642 657 HD22 LEU 88 2HD2 LEU 88 26.445 11.560 5.881 658 HD23 LEU 88 3HD2 LEU 88 26.573 12.753 7.175 659 H ASP 89 H ASP 89 31.113 13.686 7.090 660 HA ASP 89 HA ASP 89 32.758 16.101 7.178 661 HB2 ASP 89 1HB ASP 89 33.230 13.243 8.004 662 HB3 ASP 89 2HB ASP 89 34.551 14.402 7.889 663 HA PRO 90 HA PRO 90 33.944 15.335 2.951 664 HB2 PRO 90 1HB PRO 90 35.664 17.428 2.769 665 HB3 PRO 90 2HB PRO 90 33.908 17.618 2.690 666 HG2 PRO 90 1HG PRO 90 35.757 18.043 5.005 667 HG3 PRO 90 2HG PRO 90 34.390 19.036 4.468 668 HD2 PRO 90 1HD PRO 90 34.205 17.301 6.538 669 HD3 PRO 90 2HD PRO 90 32.835 17.660 5.468 670 H SER 91 H SER 91 35.767 14.569 1.852 671 HA SER 91 HA SER 91 37.796 13.572 1.563 672 HB2 SER 91 1HB SER 91 38.624 15.722 2.656 673 HB3 SER 91 2HB SER 91 38.687 14.815 4.167 674 HG SER 91 HG SER 91 39.908 13.645 1.966 675 H SER 92 H SER 92 35.810 12.053 2.608 676 HA SER 92 HA SER 92 37.303 10.065 4.071 677 HB2 SER 92 1HB SER 92 36.344 11.626 5.830 678 HB3 SER 92 2HB SER 92 34.746 11.084 5.318 679 HG SER 92 HG SER 92 35.934 8.880 5.676 680 H HIS 93 H HIS 93 36.429 8.004 3.899 681 HA HIS 93 HA HIS 93 34.579 7.649 1.722 682 HB2 HIS 93 1HB HIS 93 36.332 6.085 1.727 683 HB3 HIS 93 2HB HIS 93 36.172 5.776 3.454 684 HD1 HIS 93 1HD HIS 93 35.767 3.290 3.345 685 HD2 HIS 93 2HD HIS 93 33.162 5.457 0.941 686 HE1 HIS 93 1HE HIS 93 34.039 1.638 2.565 687 HE2 HIS 93 2HE HIS 93 32.523 2.953 1.043 688 H TYR 94 H TYR 94 32.486 7.030 1.804 689 HA TYR 94 HA TYR 94 31.335 6.416 4.442 690 HB2 TYR 94 1HB TYR 94 30.512 8.499 2.470 691 HB3 TYR 94 2HB TYR 94 29.254 7.675 3.384 692 HD1 TYR 94 2HD TYR 94 32.146 9.928 3.605 693 HD2 TYR 94 1HD TYR 94 28.989 8.050 5.752 694 HE1 TYR 94 2HE TYR 94 32.546 11.439 5.503 695 HE2 TYR 94 1HE TYR 94 29.379 9.558 7.656 696 HH TYR 94 HH TYR 94 31.610 10.944 8.478 697 H VAL 95 H VAL 95 30.440 4.474 4.416 698 HA VAL 95 HA VAL 95 29.707 3.225 1.898 699 HB VAL 95 HB VAL 95 29.570 2.083 4.692 700 HG11 VAL 95 1HG1 VAL 95 29.668 0.608 2.070 701 HG12 VAL 95 2HG1 VAL 95 29.333 -0.045 3.675 702 HG13 VAL 95 3HG1 VAL 95 28.162 1.016 2.891 703 HG21 VAL 95 1HG2 VAL 95 31.729 1.376 4.530 704 HG22 VAL 95 2HG2 VAL 95 31.689 1.296 2.768 705 HG23 VAL 95 3HG2 VAL 95 31.854 2.855 3.576 706 H ILE 96 H ILE 96 27.743 3.500 1.087 707 HA ILE 96 HA ILE 96 25.501 4.015 2.914 708 HB ILE 96 HB ILE 96 25.769 4.521 -0.050 709 HG12 ILE 96 1HG1 ILE 96 25.394 6.915 0.766 710 HG13 ILE 96 2HG1 ILE 96 25.710 6.301 2.385 711 HG21 ILE 96 1HG2 ILE 96 23.498 5.818 0.953 712 HG22 ILE 96 2HG2 ILE 96 23.554 4.461 -0.172 713 HG23 ILE 96 3HG2 ILE 96 23.422 4.165 1.562 714 HD11 ILE 96 1HD1 ILE 96 27.884 6.479 2.048 715 HD12 ILE 96 2HD1 ILE 96 27.782 5.422 0.639 716 HD13 ILE 96 3HD1 ILE 96 27.561 7.162 0.455 717 H THR 97 H THR 97 23.698 2.748 2.940 718 HA THR 97 HA THR 97 23.679 0.394 1.169 719 HB THR 97 HB THR 97 22.640 -0.864 3.111 720 HG1 THR 97 1HG THR 97 23.577 0.222 5.173 721 HG21 THR 97 1HG2 THR 97 25.352 -0.162 4.029 722 HG22 THR 97 2HG2 THR 97 25.225 -0.641 2.337 723 HG23 THR 97 3HG2 THR 97 24.668 -1.731 3.605 724 H LEU 98 H LEU 98 21.585 -0.534 0.773 725 HA LEU 98 HA LEU 98 19.270 1.081 1.508 726 HB2 LEU 98 1HB LEU 98 19.919 2.109 -0.541 727 HB3 LEU 98 2HB LEU 98 20.153 0.545 -1.319 728 HG LEU 98 HG LEU 98 17.558 0.325 -0.786 729 HD11 LEU 98 1HD1 LEU 98 17.812 2.732 0.250 730 HD12 LEU 98 2HD1 LEU 98 16.369 2.270 -0.652 731 HD13 LEU 98 3HD1 LEU 98 17.628 3.226 -1.434 732 HD21 LEU 98 1HD2 LEU 98 18.794 1.827 -3.089 733 HD22 LEU 98 2HD2 LEU 98 17.138 1.222 -3.067 734 HD23 LEU 98 3HD2 LEU 98 18.492 0.093 -2.985 735 H LYS 99 H LYS 99 17.555 -0.149 1.955 736 HA LYS 99 HA LYS 99 17.403 -2.849 0.806 737 HB2 LYS 99 1HB LYS 99 16.812 -3.811 2.935 738 HB3 LYS 99 2HB LYS 99 18.343 -2.963 3.108 739 HG2 LYS 99 1HG LYS 99 17.245 -1.108 4.186 740 HG3 LYS 99 2HG LYS 99 15.665 -1.845 3.913 741 HD2 LYS 99 1HD LYS 99 16.106 -2.418 6.113 742 HD3 LYS 99 2HD LYS 99 16.655 -3.848 5.236 743 HE2 LYS 99 1HE LYS 99 18.315 -3.301 6.865 744 HE3 LYS 99 2HE LYS 99 18.961 -2.894 5.276 745 HZ1 LYS 99 1HZ LYS 99 18.551 -0.604 5.657 746 HZ2 LYS 99 2HZ LYS 99 19.348 -1.191 7.029 747 HZ3 LYS 99 3HZ LYS 99 17.680 -0.914 7.074 748 H ALA 100 H ALA 100 15.452 -3.360 0.033 749 HA ALA 100 HA ALA 100 13.310 -1.425 0.269 750 HB1 ALA 100 1HB ALA 100 12.629 -3.854 -1.157 751 HB2 ALA 100 2HB ALA 100 12.666 -2.184 -1.723 752 HB3 ALA 100 3HB ALA 100 14.142 -3.150 -1.729 753 H PHE 101 H PHE 101 11.767 -1.525 1.751 754 HA PHE 101 HA PHE 101 11.076 -4.152 2.891 755 HB2 PHE 101 1HB PHE 101 10.841 -3.210 5.052 756 HB3 PHE 101 2HB PHE 101 12.361 -2.578 4.428 757 HD1 PHE 101 1HD PHE 101 8.773 -1.735 4.855 758 HD2 PHE 101 2HD PHE 101 12.742 -0.285 4.341 759 HE1 PHE 101 1HE PHE 101 7.987 0.557 5.280 760 HE2 PHE 101 2HE PHE 101 11.962 2.010 4.766 761 HZ PHE 101 HZ PHE 101 9.582 2.433 5.236 762 H ASN 102 H ASN 102 8.871 -4.196 3.879 763 HA ASN 102 HA ASN 102 6.969 -2.268 2.843 764 HB2 ASN 102 1HB ASN 102 5.628 -3.891 1.633 765 HB3 ASN 102 2HB ASN 102 7.263 -3.883 0.979 766 HD21 ASN 102 1HD2 ASN 102 5.405 -5.971 0.666 767 HD22 ASN 102 2HD2 ASN 102 6.035 -7.371 1.459 768 H ASN 103 H ASN 103 4.622 -3.341 3.347 769 HA ASN 103 HA ASN 103 4.334 -3.284 6.101 770 HB2 ASN 103 1HB ASN 103 2.541 -3.017 4.289 771 HB3 ASN 103 2HB ASN 103 2.438 -4.775 4.293 772 HD21 ASN 103 1HD2 ASN 103 1.321 -1.947 5.671 773 HD22 ASN 103 2HD2 ASN 103 0.522 -2.623 7.046 774 H VAL 104 H VAL 104 4.969 -5.987 3.974 775 HA VAL 104 HA VAL 104 4.426 -8.029 5.892 776 HB VAL 104 HB VAL 104 6.089 -8.133 3.372 777 HG11 VAL 104 1HG1 VAL 104 5.296 -10.658 3.717 778 HG12 VAL 104 2HG1 VAL 104 6.812 -10.037 4.375 779 HG13 VAL 104 3HG1 VAL 104 5.387 -10.165 5.407 780 HG21 VAL 104 1HG2 VAL 104 3.867 -7.594 2.772 781 HG22 VAL 104 2HG2 VAL 104 4.031 -9.330 2.508 782 HG23 VAL 104 3HG2 VAL 104 3.196 -8.731 3.942 783 H GLY 105 H GLY 105 7.435 -6.576 4.655 784 HA2 GLY 105 1HA GLY 105 8.769 -6.540 7.099 785 HA3 GLY 105 2HA GLY 105 9.162 -8.070 6.330 786 H GLU 106 H GLU 106 11.318 -6.790 6.683 787 HA GLU 106 HA GLU 106 11.867 -4.876 4.574 788 HB2 GLU 106 1HB GLU 106 13.875 -6.083 6.470 789 HB3 GLU 106 2HB GLU 106 13.984 -4.557 5.603 790 HG2 GLU 106 1HG GLU 106 13.471 -3.839 7.712 791 HG3 GLU 106 2HG GLU 106 11.868 -3.937 6.986 792 H GLY 107 H GLY 107 13.886 -5.187 3.244 793 HA2 GLY 107 1HA GLY 107 13.989 -7.986 2.302 794 HA3 GLY 107 2HA GLY 107 14.166 -6.587 1.254 795 H ILE 108 H ILE 108 16.145 -7.556 0.515 796 HA ILE 108 HA ILE 108 18.338 -7.725 2.416 797 HB ILE 108 HB ILE 108 18.701 -8.049 -0.535 798 HG12 ILE 108 1HG1 ILE 108 16.641 -9.308 0.118 799 HG13 ILE 108 2HG1 ILE 108 17.949 -10.339 -0.454 800 HG21 ILE 108 1HG2 ILE 108 20.210 -9.911 0.392 801 HG22 ILE 108 2HG2 ILE 108 20.714 -8.238 0.623 802 HG23 ILE 108 3HG2 ILE 108 19.975 -9.127 1.954 803 HD11 ILE 108 1HD1 ILE 108 17.657 -11.545 1.377 804 HD12 ILE 108 2HD1 ILE 108 18.319 -10.190 2.293 805 HD13 ILE 108 3HD1 ILE 108 16.575 -10.339 2.075 806 HA PRO 109 HA PRO 109 19.536 -3.518 1.615 807 HB2 PRO 109 1HB PRO 109 21.824 -3.584 3.074 808 HB3 PRO 109 2HB PRO 109 20.220 -3.464 3.808 809 HG2 PRO 109 1HG PRO 109 21.968 -5.870 3.458 810 HG3 PRO 109 2HG PRO 109 21.008 -5.379 4.866 811 HD2 PRO 109 1HD PRO 109 20.174 -7.276 3.123 812 HD3 PRO 109 2HD PRO 109 19.047 -6.198 3.972 813 H LEU 110 H LEU 110 21.463 -2.384 0.761 814 HA LEU 110 HA LEU 110 23.046 -4.132 -1.005 815 HB2 LEU 110 1HB LEU 110 21.744 -1.485 -1.493 816 HB3 LEU 110 2HB LEU 110 23.167 -1.956 -2.421 817 HG LEU 110 HG LEU 110 20.571 -3.492 -2.326 818 HD11 LEU 110 1HD1 LEU 110 20.328 -2.698 -4.664 819 HD12 LEU 110 2HD1 LEU 110 21.697 -1.618 -4.399 820 HD13 LEU 110 3HD1 LEU 110 20.217 -1.410 -3.464 821 HD21 LEU 110 1HD2 LEU 110 21.609 -5.137 -3.401 822 HD22 LEU 110 2HD2 LEU 110 23.134 -4.340 -3.011 823 HD23 LEU 110 3HD2 LEU 110 22.335 -4.012 -4.550 824 H TYR 111 H TYR 111 25.186 -3.383 -1.550 825 HA TYR 111 HA TYR 111 26.342 -1.667 0.549 826 HB2 TYR 111 1HB TYR 111 27.272 -4.211 -0.694 827 HB3 TYR 111 2HB TYR 111 28.492 -3.030 -0.231 828 HD1 TYR 111 2HD TYR 111 25.356 -4.409 1.282 829 HD2 TYR 111 1HD TYR 111 29.465 -3.438 1.811 830 HE1 TYR 111 2HE TYR 111 25.240 -5.208 3.605 831 HE2 TYR 111 1HE TYR 111 29.360 -4.236 4.135 832 HH TYR 111 HH TYR 111 27.167 -4.466 5.904 833 H GLU 112 H GLU 112 27.250 0.165 -0.097 834 HA GLU 112 HA GLU 112 28.353 0.344 -2.808 835 HB2 GLU 112 1HB GLU 112 26.184 2.014 -1.624 836 HB3 GLU 112 2HB GLU 112 27.351 2.796 -2.682 837 HG2 GLU 112 1HG GLU 112 25.432 0.587 -3.332 838 HG3 GLU 112 2HG GLU 112 25.554 2.189 -4.057 839 H SER 113 H SER 113 29.493 2.598 -3.023 840 HA SER 113 HA SER 113 30.776 3.380 -0.514 841 HB2 SER 113 1HB SER 113 32.271 2.436 -2.971 842 HB3 SER 113 2HB SER 113 33.024 3.253 -1.602 843 HG SER 113 HG SER 113 32.856 0.772 -1.751 844 H ALA 114 H ALA 114 31.467 5.486 -0.451 845 HA ALA 114 HA ALA 114 31.529 7.086 -2.867 846 HB1 ALA 114 1HB ALA 114 29.542 7.702 -0.682 847 HB2 ALA 114 2HB ALA 114 29.876 8.705 -2.095 848 HB3 ALA 114 3HB ALA 114 29.153 7.109 -2.297 849 H VAL 115 H VAL 115 33.407 8.104 -2.642 850 HA VAL 115 HA VAL 115 34.298 8.936 0.020 851 HB VAL 115 HB VAL 115 35.811 8.898 -2.596 852 HG11 VAL 115 1HG1 VAL 115 36.357 10.401 -0.361 853 HG12 VAL 115 2HG1 VAL 115 37.341 8.957 -0.117 854 HG13 VAL 115 3HG1 VAL 115 37.526 9.914 -1.587 855 HG21 VAL 115 1HG2 VAL 115 35.833 6.687 -2.206 856 HG22 VAL 115 2HG2 VAL 115 37.016 7.084 -0.959 857 HG23 VAL 115 3HG2 VAL 115 35.318 6.877 -0.530 858 H THR 116 H THR 116 33.788 10.922 0.642 859 HA THR 116 HA THR 116 32.777 12.946 -0.982 860 HB THR 116 HB THR 116 33.416 14.490 0.943 861 HG1 THR 116 1HG THR 116 34.011 13.226 2.874 862 HG21 THR 116 1HG2 THR 116 31.214 13.658 0.939 863 HG22 THR 116 2HG2 THR 116 31.834 13.279 2.546 864 HG23 THR 116 3HG2 THR 116 31.744 12.019 1.316 865 H ARG 117 H ARG 117 33.650 14.766 -1.927 866 HA ARG 117 HA ARG 117 36.332 14.550 -2.858 867 HB2 ARG 117 1HB ARG 117 34.120 16.536 -3.195 868 HB3 ARG 117 2HB ARG 117 35.750 16.977 -3.685 869 HG2 ARG 117 1HG ARG 117 35.832 15.091 -5.207 870 HG3 ARG 117 2HG ARG 117 34.226 14.579 -4.682 871 HD2 ARG 117 1HD ARG 117 34.011 15.756 -6.761 872 HD3 ARG 117 2HD ARG 117 33.335 16.756 -5.476 873 HE ARG 117 HE ARG 117 35.837 17.689 -5.631 874 HH11 ARG 117 2HH1 ARG 117 33.464 17.025 -8.090 875 HH12 ARG 117 1HH1 ARG 117 34.037 18.260 -9.161 876 HH21 ARG 117 2HH2 ARG 117 36.601 19.318 -7.032 877 HH22 ARG 117 1HH2 ARG 117 35.822 19.563 -8.559 878 HA PRO 118 HA PRO 118 38.595 16.854 0.114 879 HB2 PRO 118 1HB PRO 118 40.395 18.153 -1.449 880 HB3 PRO 118 2HB PRO 118 40.472 16.415 -1.136 881 HG2 PRO 118 1HG PRO 118 39.385 17.865 -3.519 882 HG3 PRO 118 2HG PRO 118 40.391 16.406 -3.460 883 HD2 PRO 118 1HD PRO 118 37.713 16.315 -3.853 884 HD3 PRO 118 2HD PRO 118 38.597 15.036 -2.996 885 H HIS 119 H HIS 119 37.068 18.314 0.919 886 HA HIS 119 HA HIS 119 35.900 20.488 -0.162 887 HB2 HIS 119 1HB HIS 119 35.930 19.608 2.304 888 HB3 HIS 119 2HB HIS 119 37.185 20.824 2.527 889 HD1 HIS 119 1HD HIS 119 36.199 23.250 1.204 890 HD2 HIS 119 2HD HIS 119 33.609 20.663 3.169 891 HE1 HIS 119 1HE HIS 119 34.166 24.623 1.754 892 HE2 HIS 119 2HE HIS 119 32.649 23.060 3.017 893 H THR 120 H THR 120 36.526 22.282 -1.156 894 HA THR 120 HA THR 120 39.340 22.986 -1.202 895 HB THR 120 HB THR 120 38.679 24.645 -2.916 896 HG1 THR 120 1HG THR 120 36.579 24.920 -3.457 897 HG21 THR 120 1HG2 THR 120 37.334 22.095 -3.700 898 HG22 THR 120 2HG2 THR 120 39.054 22.080 -3.309 899 HG23 THR 120 3HG2 THR 120 38.455 23.101 -4.617 900 H SER 121 H SER 121 40.256 24.692 -0.218 901 HA SER 121 HA SER 121 38.588 26.265 1.584 902 HB2 SER 121 1HB SER 121 40.770 27.024 2.529 903 HB3 SER 121 2HB SER 121 40.574 25.271 2.560 904 HG SER 121 HG SER 121 42.642 25.935 1.788 905 H GLY 122 H GLY 122 41.066 26.811 -0.916 906 HA2 GLY 122 1HA GLY 122 39.893 28.788 -2.344 907 HA3 GLY 122 2HA GLY 122 40.543 29.652 -0.959 908 HA PRO 123 HA PRO 123 43.774 29.296 -4.335 909 HB2 PRO 123 1HB PRO 123 44.194 31.965 -4.603 910 HB3 PRO 123 2HB PRO 123 42.965 31.089 -5.523 911 HG2 PRO 123 1HG PRO 123 42.656 32.753 -3.054 912 HG3 PRO 123 2HG PRO 123 41.636 32.702 -4.504 913 HD2 PRO 123 1HD PRO 123 40.978 31.414 -2.215 914 HD3 PRO 123 2HD PRO 123 40.539 30.794 -3.819 915 H SER 124 H SER 124 46.010 30.287 -4.253 916 HA SER 124 HA SER 124 46.905 30.300 -1.473 917 HB2 SER 124 1HB SER 124 49.168 29.988 -2.446 918 HB3 SER 124 2HB SER 124 48.034 28.742 -2.967 919 HG SER 124 HG SER 124 48.160 30.973 -4.589 920 H SER 125 H SER 125 47.879 31.996 -0.496 921 HA SER 125 HA SER 125 48.420 34.399 -2.100 922 HB2 SER 125 1HB SER 125 47.349 35.825 -0.485 923 HB3 SER 125 2HB SER 125 46.196 34.569 -0.937 924 HG SER 125 HG SER 125 47.288 35.124 1.488 925 H GLY 126 H GLY 126 49.729 36.028 -0.833 926 HA2 GLY 126 1HA GLY 126 51.623 34.617 0.945 927 HA3 GLY 126 2HA GLY 126 52.148 35.758 -0.284 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -13.230 -10.296 34.916 2 HA2 GLY 1 1HA GLY 1 -12.416 -8.105 36.643 3 HA3 GLY 1 2HA GLY 1 -12.078 -7.880 34.933 4 H SER 2 H SER 2 -13.549 -5.985 35.484 5 HA SER 2 HA SER 2 -16.379 -6.763 35.347 6 HB2 SER 2 1HB SER 2 -15.125 -4.094 36.038 7 HB3 SER 2 2HB SER 2 -16.856 -4.428 36.012 8 HG SER 2 HG SER 2 -16.648 -5.178 37.950 9 H SER 3 H SER 3 -14.303 -4.169 34.041 10 HA SER 3 HA SER 3 -15.980 -4.109 31.641 11 HB2 SER 3 1HB SER 3 -13.793 -2.185 32.465 12 HB3 SER 3 2HB SER 3 -14.966 -1.957 31.168 13 HG SER 3 HG SER 3 -15.220 -1.257 33.683 14 H GLY 4 H GLY 4 -14.595 -3.451 29.600 15 HA2 GLY 4 1HA GLY 4 -12.060 -4.062 29.023 16 HA3 GLY 4 2HA GLY 4 -12.753 -5.666 29.203 17 H SER 5 H SER 5 -12.144 -3.154 27.072 18 HA SER 5 HA SER 5 -14.108 -4.203 25.142 19 HB2 SER 5 1HB SER 5 -14.587 -1.891 25.548 20 HB3 SER 5 2HB SER 5 -12.887 -1.449 25.389 21 HG SER 5 HG SER 5 -14.632 -1.358 23.508 22 H SER 6 H SER 6 -10.964 -2.515 25.106 23 HA SER 6 HA SER 6 -9.202 -2.686 23.651 24 HB2 SER 6 1HB SER 6 -9.695 -5.643 24.066 25 HB3 SER 6 2HB SER 6 -8.167 -4.878 23.628 26 HG SER 6 HG SER 6 -8.211 -5.302 25.843 27 H GLY 7 H GLY 7 -11.562 -2.279 22.257 28 HA2 GLY 7 1HA GLY 7 -11.291 -4.081 19.933 29 HA3 GLY 7 2HA GLY 7 -12.757 -3.204 20.345 30 HA PRO 8 HA PRO 8 -9.546 -0.051 18.500 31 HB2 PRO 8 1HB PRO 8 -7.581 -1.179 17.004 32 HB3 PRO 8 2HB PRO 8 -7.403 -0.846 18.731 33 HG2 PRO 8 1HG PRO 8 -8.069 -3.421 17.358 34 HG3 PRO 8 2HG PRO 8 -6.961 -3.129 18.711 35 HD2 PRO 8 1HD PRO 8 -9.460 -4.110 19.060 36 HD3 PRO 8 2HD PRO 8 -8.667 -3.068 20.259 37 H ALA 9 H ALA 9 -9.047 0.573 16.159 38 HA ALA 9 HA ALA 9 -10.073 -0.962 14.018 39 HB1 ALA 9 1HB ALA 9 -11.957 0.841 15.421 40 HB2 ALA 9 2HB ALA 9 -11.995 0.847 13.657 41 HB3 ALA 9 3HB ALA 9 -12.260 -0.657 14.540 42 H THR 10 H THR 10 -9.007 -0.268 12.293 43 HA THR 10 HA THR 10 -8.841 2.459 11.529 44 HB THR 10 HB THR 10 -7.155 2.528 13.325 45 HG1 THR 10 1HG THR 10 -6.283 2.781 10.634 46 HG21 THR 10 1HG2 THR 10 -6.467 0.142 13.149 47 HG22 THR 10 2HG2 THR 10 -5.106 1.264 13.180 48 HG23 THR 10 3HG2 THR 10 -5.616 0.537 11.656 49 H ASP 11 H ASP 11 -8.101 2.713 9.429 50 HA ASP 11 HA ASP 11 -6.858 0.472 8.063 51 HB2 ASP 11 1HB ASP 11 -8.702 0.774 6.219 52 HB3 ASP 11 2HB ASP 11 -8.997 -0.278 7.601 53 H TRP 12 H TRP 12 -5.496 1.145 6.520 54 HA TRP 12 HA TRP 12 -5.695 3.957 5.658 55 HB2 TRP 12 1HB TRP 12 -3.237 2.270 6.158 56 HB3 TRP 12 2HB TRP 12 -3.199 3.846 5.373 57 HD1 TRP 12 HD TRP 12 -3.129 2.249 8.736 58 HE1 TRP 12 1HE TRP 12 -3.195 4.051 10.573 59 HE3 TRP 12 3HE TRP 12 -4.358 6.295 5.862 60 HZ2 TRP 12 2HZ TRP 12 -3.701 6.820 10.777 61 HZ3 TRP 12 3HZ TRP 12 -4.615 8.484 6.956 62 HH2 TRP 12 HH TRP 12 -4.293 8.739 9.363 63 H LEU 13 H LEU 13 -4.331 0.814 4.667 64 HA LEU 13 HA LEU 13 -3.812 0.044 2.554 65 HB2 LEU 13 1HB LEU 13 -5.838 -0.270 1.204 66 HB3 LEU 13 2HB LEU 13 -6.074 -0.705 2.896 67 HG LEU 13 HG LEU 13 -6.905 1.995 1.904 68 HD11 LEU 13 1HD1 LEU 13 -8.162 0.874 0.378 69 HD12 LEU 13 2HD1 LEU 13 -9.225 0.719 1.776 70 HD13 LEU 13 3HD1 LEU 13 -8.173 -0.620 1.315 71 HD21 LEU 13 1HD2 LEU 13 -8.710 0.898 3.738 72 HD22 LEU 13 2HD2 LEU 13 -7.514 2.161 4.033 73 HD23 LEU 13 3HD2 LEU 13 -7.106 0.471 4.334 74 H SER 14 H SER 14 -2.847 2.610 2.740 75 HA SER 14 HA SER 14 -3.679 4.525 0.964 76 HB2 SER 14 1HB SER 14 -0.828 3.716 1.583 77 HB3 SER 14 2HB SER 14 -1.305 5.233 0.821 78 HG SER 14 HG SER 14 -1.894 5.985 2.698 79 H ALA 15 H ALA 15 -4.489 3.867 -0.974 80 HA ALA 15 HA ALA 15 -2.684 3.410 -3.100 81 HB1 ALA 15 1HB ALA 15 -4.419 1.033 -2.922 82 HB2 ALA 15 2HB ALA 15 -2.761 1.192 -3.505 83 HB3 ALA 15 3HB ALA 15 -3.082 1.103 -1.773 84 H GLU 16 H GLU 16 -3.606 3.981 -4.995 85 HA GLU 16 HA GLU 16 -6.492 4.528 -4.950 86 HB2 GLU 16 1HB GLU 16 -4.160 5.815 -6.273 87 HB3 GLU 16 2HB GLU 16 -5.695 5.851 -7.130 88 HG2 GLU 16 1HG GLU 16 -5.653 6.667 -4.274 89 HG3 GLU 16 2HG GLU 16 -4.989 7.770 -5.478 90 H THR 17 H THR 17 -6.855 2.219 -5.378 91 HA THR 17 HA THR 17 -7.171 0.390 -6.727 92 HB THR 17 HB THR 17 -8.391 0.854 -8.766 93 HG1 THR 17 1HG THR 17 -8.201 2.711 -9.827 94 HG21 THR 17 1HG2 THR 17 -9.050 2.899 -6.642 95 HG22 THR 17 2HG2 THR 17 -9.574 1.215 -6.650 96 HG23 THR 17 3HG2 THR 17 -10.145 2.322 -7.897 97 H PHE 18 H PHE 18 -4.459 1.141 -6.649 98 HA PHE 18 HA PHE 18 -3.153 1.501 -9.047 99 HB2 PHE 18 1HB PHE 18 -2.449 0.168 -6.480 100 HB3 PHE 18 2HB PHE 18 -1.397 -0.122 -7.862 101 HD1 PHE 18 1HD PHE 18 -0.442 1.905 -9.070 102 HD2 PHE 18 2HD PHE 18 -2.250 2.113 -5.223 103 HE1 PHE 18 1HE PHE 18 0.697 4.047 -8.655 104 HE2 PHE 18 2HE PHE 18 -1.115 4.255 -4.801 105 HZ PHE 18 HZ PHE 18 0.360 5.225 -6.518 106 H GLU 19 H GLU 19 -3.470 -1.700 -7.510 107 HA GLU 19 HA GLU 19 -4.509 -2.966 -9.823 108 HB2 GLU 19 1HB GLU 19 -2.381 -2.742 -10.825 109 HB3 GLU 19 2HB GLU 19 -1.546 -3.151 -9.333 110 HG2 GLU 19 1HG GLU 19 -1.884 -5.397 -9.590 111 HG3 GLU 19 2HG GLU 19 -3.338 -5.178 -10.563 112 H SER 20 H SER 20 -5.603 -4.668 -9.112 113 HA SER 20 HA SER 20 -5.145 -5.648 -6.429 114 HB2 SER 20 1HB SER 20 -7.442 -5.235 -7.324 115 HB3 SER 20 2HB SER 20 -7.198 -6.565 -8.456 116 HG SER 20 HG SER 20 -6.653 -7.181 -5.830 117 H ASP 21 H ASP 21 -3.069 -6.190 -8.334 118 HA ASP 21 HA ASP 21 -3.159 -9.133 -8.309 119 HB2 ASP 21 1HB ASP 21 -1.951 -7.374 -10.454 120 HB3 ASP 21 2HB ASP 21 -1.814 -9.129 -10.388 121 H LEU 22 H LEU 22 -2.033 -7.066 -6.458 122 HA LEU 22 HA LEU 22 0.838 -7.545 -6.700 123 HB2 LEU 22 1HB LEU 22 -0.862 -5.697 -5.084 124 HB3 LEU 22 2HB LEU 22 0.776 -6.065 -4.547 125 HG LEU 22 HG LEU 22 0.654 -3.957 -5.794 126 HD11 LEU 22 1HD1 LEU 22 2.707 -5.308 -5.821 127 HD12 LEU 22 2HD1 LEU 22 2.496 -4.384 -7.308 128 HD13 LEU 22 3HD1 LEU 22 2.144 -6.112 -7.286 129 HD21 LEU 22 1HD2 LEU 22 -1.112 -5.327 -7.430 130 HD22 LEU 22 2HD2 LEU 22 0.333 -5.134 -8.423 131 HD23 LEU 22 3HD2 LEU 22 -0.447 -3.719 -7.714 132 H ASP 23 H ASP 23 1.987 -7.997 -4.557 133 HA ASP 23 HA ASP 23 0.462 -9.945 -2.964 134 HB2 ASP 23 1HB ASP 23 3.025 -10.309 -4.433 135 HB3 ASP 23 2HB ASP 23 2.877 -11.081 -2.856 136 H GLU 24 H GLU 24 0.563 -9.598 -0.845 137 HA GLU 24 HA GLU 24 2.789 -7.971 0.197 138 HB2 GLU 24 1HB GLU 24 0.355 -6.991 0.100 139 HB3 GLU 24 2HB GLU 24 0.106 -7.993 1.523 140 HG2 GLU 24 1HG GLU 24 2.159 -6.850 2.493 141 HG3 GLU 24 2HG GLU 24 1.995 -5.692 1.173 142 H THR 25 H THR 25 2.495 -10.899 0.008 143 HA THR 25 HA THR 25 2.260 -11.662 2.828 144 HB THR 25 HB THR 25 1.010 -13.009 1.164 145 HG1 THR 25 1HG THR 25 1.700 -15.000 2.026 146 HG21 THR 25 1HG2 THR 25 2.523 -12.860 -0.724 147 HG22 THR 25 2HG2 THR 25 2.285 -14.553 -0.292 148 HG23 THR 25 3HG2 THR 25 3.771 -13.725 0.172 149 H ARG 26 H ARG 26 4.572 -11.174 0.319 150 HA ARG 26 HA ARG 26 6.680 -12.262 2.067 151 HB2 ARG 26 1HB ARG 26 7.991 -12.747 0.046 152 HB3 ARG 26 2HB ARG 26 6.464 -13.619 0.053 153 HG2 ARG 26 1HG ARG 26 5.517 -11.932 -1.466 154 HG3 ARG 26 2HG ARG 26 7.083 -11.119 -1.506 155 HD2 ARG 26 1HD ARG 26 8.071 -13.265 -2.345 156 HD3 ARG 26 2HD ARG 26 6.429 -13.892 -2.485 157 HE ARG 26 HE ARG 26 6.518 -11.481 -3.867 158 HH11 ARG 26 2HH1 ARG 26 7.951 -14.648 -4.057 159 HH12 ARG 26 1HH1 ARG 26 8.133 -14.605 -5.780 160 HH21 ARG 26 2HH2 ARG 26 6.751 -11.413 -6.135 161 HH22 ARG 26 1HH2 ARG 26 7.451 -12.764 -6.960 162 H VAL 27 H VAL 27 8.748 -11.172 1.957 163 HA VAL 27 HA VAL 27 8.418 -8.303 1.793 164 HB VAL 27 HB VAL 27 10.629 -8.146 2.761 165 HG11 VAL 27 1HG1 VAL 27 9.668 -8.521 4.725 166 HG12 VAL 27 2HG1 VAL 27 8.443 -9.522 3.942 167 HG13 VAL 27 3HG1 VAL 27 9.936 -10.253 4.531 168 HG21 VAL 27 1HG2 VAL 27 11.767 -9.889 1.549 169 HG22 VAL 27 2HG2 VAL 27 11.927 -10.196 3.278 170 HG23 VAL 27 3HG2 VAL 27 10.775 -11.127 2.321 171 HA PRO 28 HA PRO 28 10.142 -7.725 -2.213 172 HB2 PRO 28 1HB PRO 28 11.119 -5.209 -1.928 173 HB3 PRO 28 2HB PRO 28 9.392 -5.559 -2.065 174 HG2 PRO 28 1HG PRO 28 11.027 -5.021 0.384 175 HG3 PRO 28 2HG PRO 28 9.414 -4.417 -0.039 176 HD2 PRO 28 1HD PRO 28 9.794 -6.478 1.676 177 HD3 PRO 28 2HD PRO 28 8.374 -6.367 0.616 178 H GLU 29 H GLU 29 11.867 -9.079 -2.494 179 HA GLU 29 HA GLU 29 14.231 -9.191 -1.096 180 HB2 GLU 29 1HB GLU 29 14.128 -9.586 -4.079 181 HB3 GLU 29 2HB GLU 29 15.144 -10.411 -2.906 182 HG2 GLU 29 1HG GLU 29 13.046 -11.403 -1.945 183 HG3 GLU 29 2HG GLU 29 12.192 -10.747 -3.340 184 H VAL 30 H VAL 30 16.440 -8.741 -2.401 185 HA VAL 30 HA VAL 30 17.071 -6.099 -2.088 186 HB VAL 30 HB VAL 30 18.812 -7.736 -2.352 187 HG11 VAL 30 1HG1 VAL 30 18.267 -7.953 -5.288 188 HG12 VAL 30 2HG1 VAL 30 19.203 -9.025 -4.244 189 HG13 VAL 30 3HG1 VAL 30 17.442 -9.004 -4.138 190 HG21 VAL 30 1HG2 VAL 30 19.669 -5.637 -2.847 191 HG22 VAL 30 2HG2 VAL 30 20.151 -6.591 -4.249 192 HG23 VAL 30 3HG2 VAL 30 18.762 -5.510 -4.354 193 HA PRO 31 HA PRO 31 15.122 -3.944 -5.408 194 HB2 PRO 31 1HB PRO 31 16.606 -1.672 -5.319 195 HB3 PRO 31 2HB PRO 31 15.368 -2.059 -4.118 196 HG2 PRO 31 1HG PRO 31 18.338 -2.399 -3.955 197 HG3 PRO 31 2HG PRO 31 17.213 -1.790 -2.727 198 HD2 PRO 31 1HD PRO 31 18.171 -4.322 -2.696 199 HD3 PRO 31 2HD PRO 31 16.550 -3.907 -2.102 200 H SER 32 H SER 32 15.678 -2.856 -7.469 201 HA SER 32 HA SER 32 17.200 -4.395 -9.146 202 HB2 SER 32 1HB SER 32 16.263 -1.554 -9.293 203 HB3 SER 32 2HB SER 32 17.347 -2.168 -10.542 204 HG SER 32 HG SER 32 15.509 -2.819 -11.370 205 H SER 33 H SER 33 18.204 -1.306 -7.679 206 HA SER 33 HA SER 33 20.867 -2.180 -7.246 207 HB2 SER 33 1HB SER 33 20.629 -1.680 -9.828 208 HB3 SER 33 2HB SER 33 20.796 -0.006 -9.301 209 HG SER 33 HG SER 33 22.610 -1.849 -8.272 210 H LEU 34 H LEU 34 22.303 -0.013 -6.952 211 HA LEU 34 HA LEU 34 20.766 2.173 -5.840 212 HB2 LEU 34 1HB LEU 34 20.672 1.017 -3.869 213 HB3 LEU 34 2HB LEU 34 22.179 0.156 -4.176 214 HG LEU 34 HG LEU 34 23.341 2.390 -3.736 215 HD11 LEU 34 1HD1 LEU 34 21.789 3.660 -1.995 216 HD12 LEU 34 2HD1 LEU 34 20.530 3.042 -3.063 217 HD13 LEU 34 3HD1 LEU 34 21.811 4.067 -3.711 218 HD21 LEU 34 1HD2 LEU 34 22.591 0.292 -2.085 219 HD22 LEU 34 2HD2 LEU 34 22.164 1.740 -1.172 220 HD23 LEU 34 3HD2 LEU 34 23.817 1.514 -1.746 221 H HIS 35 H HIS 35 21.765 3.896 -6.627 222 HA HIS 35 HA HIS 35 24.689 3.833 -6.925 223 HB2 HIS 35 1HB HIS 35 23.834 4.315 -9.034 224 HB3 HIS 35 2HB HIS 35 22.507 5.274 -8.388 225 HD1 HIS 35 1HD HIS 35 22.788 7.709 -8.670 226 HD2 HIS 35 2HD HIS 35 26.444 5.737 -8.572 227 HE1 HIS 35 1HE HIS 35 24.522 9.487 -9.066 228 HE2 HIS 35 2HE HIS 35 26.720 8.257 -9.088 229 H VAL 36 H VAL 36 25.972 5.372 -6.002 230 HA VAL 36 HA VAL 36 24.657 7.468 -4.412 231 HB VAL 36 HB VAL 36 26.321 7.120 -2.612 232 HG11 VAL 36 1HG1 VAL 36 25.357 4.680 -2.061 233 HG12 VAL 36 2HG1 VAL 36 24.397 6.154 -1.911 234 HG13 VAL 36 3HG1 VAL 36 24.250 5.147 -3.352 235 HG21 VAL 36 1HG2 VAL 36 28.057 6.028 -3.934 236 HG22 VAL 36 2HG2 VAL 36 27.610 5.042 -2.542 237 HG23 VAL 36 3HG2 VAL 36 27.018 4.619 -4.149 238 H ARG 37 H ARG 37 25.573 9.435 -4.541 239 HA ARG 37 HA ARG 37 28.154 9.638 -5.950 240 HB2 ARG 37 1HB ARG 37 26.068 10.488 -7.148 241 HB3 ARG 37 2HB ARG 37 26.011 11.759 -5.933 242 HG2 ARG 37 1HG ARG 37 28.493 12.153 -6.673 243 HG3 ARG 37 2HG ARG 37 27.959 11.330 -8.140 244 HD2 ARG 37 1HD ARG 37 26.350 13.581 -7.005 245 HD3 ARG 37 2HD ARG 37 27.783 13.919 -7.974 246 HE ARG 37 HE ARG 37 25.249 12.958 -8.911 247 HH11 ARG 37 2HH1 ARG 37 28.670 13.057 -9.549 248 HH12 ARG 37 1HH1 ARG 37 28.491 12.823 -11.257 249 HH21 ARG 37 2HH2 ARG 37 25.000 12.649 -11.158 250 HH22 ARG 37 1HH2 ARG 37 26.403 12.592 -12.170 251 HA PRO 38 HA PRO 38 29.318 11.354 -1.960 252 HB2 PRO 38 1HB PRO 38 31.978 11.398 -2.500 253 HB3 PRO 38 2HB PRO 38 31.121 9.931 -2.014 254 HG2 PRO 38 1HG PRO 38 31.921 10.838 -4.752 255 HG3 PRO 38 2HG PRO 38 32.028 9.220 -4.034 256 HD2 PRO 38 1HD PRO 38 30.044 9.930 -5.734 257 HD3 PRO 38 2HD PRO 38 29.801 8.765 -4.417 258 H LEU 39 H LEU 39 29.199 13.452 -1.500 259 HA LEU 39 HA LEU 39 30.340 15.381 -3.414 260 HB2 LEU 39 1HB LEU 39 27.773 15.377 -1.906 261 HB3 LEU 39 2HB LEU 39 28.562 16.921 -2.224 262 HG LEU 39 HG LEU 39 28.575 15.947 -4.706 263 HD11 LEU 39 1HD1 LEU 39 26.310 14.552 -3.308 264 HD12 LEU 39 2HD1 LEU 39 27.562 13.856 -4.336 265 HD13 LEU 39 3HD1 LEU 39 26.305 14.871 -5.043 266 HD21 LEU 39 1HD2 LEU 39 26.901 17.722 -3.168 267 HD22 LEU 39 2HD2 LEU 39 25.989 16.964 -4.473 268 HD23 LEU 39 3HD2 LEU 39 27.462 17.867 -4.834 269 H VAL 40 H VAL 40 31.216 17.330 -2.525 270 HA VAL 40 HA VAL 40 33.088 17.210 -0.658 271 HB VAL 40 HB VAL 40 31.201 19.562 -0.856 272 HG11 VAL 40 1HG1 VAL 40 32.628 20.780 0.389 273 HG12 VAL 40 2HG1 VAL 40 33.123 19.206 1.014 274 HG13 VAL 40 3HG1 VAL 40 34.053 19.978 -0.271 275 HG21 VAL 40 1HG2 VAL 40 33.470 20.169 -2.282 276 HG22 VAL 40 2HG2 VAL 40 33.200 18.472 -2.678 277 HG23 VAL 40 3HG2 VAL 40 31.928 19.659 -2.969 278 H THR 41 H THR 41 30.047 18.721 0.391 279 HA THR 41 HA THR 41 30.390 17.385 2.997 280 HB THR 41 HB THR 41 29.106 19.289 3.967 281 HG1 THR 41 1HG THR 41 29.613 20.710 1.578 282 HG21 THR 41 1HG2 THR 41 31.349 19.585 4.365 283 HG22 THR 41 2HG2 THR 41 31.012 21.028 3.409 284 HG23 THR 41 3HG2 THR 41 31.759 19.623 2.651 285 H SER 42 H SER 42 28.918 16.467 0.571 286 HA SER 42 HA SER 42 26.439 15.797 1.931 287 HB2 SER 42 1HB SER 42 25.145 16.332 -0.217 288 HB3 SER 42 2HB SER 42 25.629 17.701 0.784 289 HG SER 42 HG SER 42 26.803 18.400 -0.805 290 H ILE 43 H ILE 43 25.100 14.340 0.269 291 HA ILE 43 HA ILE 43 26.746 12.738 -1.470 292 HB ILE 43 HB ILE 43 25.648 11.516 1.065 293 HG12 ILE 43 1HG1 ILE 43 28.480 11.876 0.062 294 HG13 ILE 43 2HG1 ILE 43 27.746 12.705 1.429 295 HG21 ILE 43 1HG2 ILE 43 25.772 9.493 0.137 296 HG22 ILE 43 2HG2 ILE 43 25.849 10.328 -1.414 297 HG23 ILE 43 3HG2 ILE 43 27.336 9.839 -0.602 298 HD11 ILE 43 1HD1 ILE 43 27.372 10.164 2.190 299 HD12 ILE 43 2HD1 ILE 43 28.839 9.982 1.227 300 HD13 ILE 43 3HD1 ILE 43 28.811 11.103 2.588 301 H VAL 44 H VAL 44 25.410 12.670 -3.158 302 HA VAL 44 HA VAL 44 22.545 12.547 -2.830 303 HB VAL 44 HB VAL 44 24.219 12.433 -5.343 304 HG11 VAL 44 1HG1 VAL 44 22.156 12.923 -6.532 305 HG12 VAL 44 2HG1 VAL 44 22.001 11.418 -5.623 306 HG13 VAL 44 3HG1 VAL 44 21.257 12.898 -5.015 307 HG21 VAL 44 1HG2 VAL 44 24.465 14.532 -4.100 308 HG22 VAL 44 2HG2 VAL 44 23.610 14.774 -5.623 309 HG23 VAL 44 3HG2 VAL 44 22.713 14.736 -4.105 310 H VAL 45 H VAL 45 21.998 10.583 -1.956 311 HA VAL 45 HA VAL 45 22.980 8.130 -3.172 312 HB VAL 45 HB VAL 45 21.051 8.528 -0.880 313 HG11 VAL 45 1HG1 VAL 45 20.638 6.401 -1.891 314 HG12 VAL 45 2HG1 VAL 45 22.364 6.048 -1.979 315 HG13 VAL 45 3HG1 VAL 45 21.558 6.128 -0.412 316 HG21 VAL 45 1HG2 VAL 45 22.827 8.888 0.401 317 HG22 VAL 45 2HG2 VAL 45 23.512 7.341 -0.098 318 HG23 VAL 45 3HG2 VAL 45 23.872 8.803 -1.017 319 H SER 46 H SER 46 22.060 7.820 -5.134 320 HA SER 46 HA SER 46 19.135 8.009 -5.340 321 HB2 SER 46 1HB SER 46 20.021 9.301 -7.072 322 HB3 SER 46 2HB SER 46 21.356 8.185 -7.354 323 HG SER 46 HG SER 46 18.866 8.216 -8.443 324 H TRP 47 H TRP 47 17.941 6.228 -5.500 325 HA TRP 47 HA TRP 47 19.288 3.701 -6.195 326 HB2 TRP 47 1HB TRP 47 17.755 2.554 -4.635 327 HB3 TRP 47 2HB TRP 47 18.777 3.729 -3.812 328 HD1 TRP 47 HD TRP 47 15.145 3.002 -4.672 329 HE1 TRP 47 1HE TRP 47 13.635 4.634 -3.375 330 HE3 TRP 47 3HE TRP 47 18.738 6.126 -2.811 331 HZ2 TRP 47 2HZ TRP 47 13.929 6.941 -1.775 332 HZ3 TRP 47 3HZ TRP 47 18.040 8.021 -1.406 333 HH2 TRP 47 HH TRP 47 15.684 8.419 -0.901 334 H THR 48 H THR 48 17.277 1.994 -6.472 335 HA THR 48 HA THR 48 15.242 3.207 -8.187 336 HB THR 48 HB THR 48 15.732 1.159 -9.781 337 HG1 THR 48 1HG THR 48 17.994 1.366 -8.195 338 HG21 THR 48 1HG2 THR 48 17.680 2.888 -10.694 339 HG22 THR 48 2HG2 THR 48 16.652 3.923 -9.702 340 HG23 THR 48 3HG2 THR 48 15.954 3.003 -11.034 341 HA PRO 49 HA PRO 49 12.551 0.202 -6.458 342 HB2 PRO 49 1HB PRO 49 10.866 -0.293 -8.529 343 HB3 PRO 49 2HB PRO 49 10.846 1.219 -7.614 344 HG2 PRO 49 1HG PRO 49 12.109 0.624 -10.262 345 HG3 PRO 49 2HG PRO 49 11.180 2.048 -9.761 346 HD2 PRO 49 1HD PRO 49 13.885 2.039 -9.870 347 HD3 PRO 49 2HD PRO 49 12.981 3.001 -8.683 348 HA PRO 50 HA PRO 50 13.841 -3.884 -7.460 349 HB2 PRO 50 1HB PRO 50 11.671 -5.325 -6.696 350 HB3 PRO 50 2HB PRO 50 12.774 -4.564 -5.543 351 HG2 PRO 50 1HG PRO 50 10.113 -3.611 -6.529 352 HG3 PRO 50 2HG PRO 50 10.765 -3.597 -4.881 353 HD2 PRO 50 1HD PRO 50 10.743 -1.396 -6.457 354 HD3 PRO 50 2HD PRO 50 12.015 -1.698 -5.256 355 H GLU 51 H GLU 51 14.027 -4.758 -9.418 356 HA GLU 51 HA GLU 51 12.687 -4.314 -11.676 357 HB2 GLU 51 1HB GLU 51 14.062 -6.744 -10.658 358 HB3 GLU 51 2HB GLU 51 13.104 -6.921 -12.122 359 HG2 GLU 51 1HG GLU 51 14.467 -5.540 -13.349 360 HG3 GLU 51 2HG GLU 51 15.063 -4.686 -11.927 361 H ASN 52 H ASN 52 11.630 -6.569 -9.174 362 HA ASN 52 HA ASN 52 9.250 -7.277 -10.683 363 HB2 ASN 52 1HB ASN 52 10.745 -8.723 -8.972 364 HB3 ASN 52 2HB ASN 52 9.530 -8.116 -7.851 365 HD21 ASN 52 1HD2 ASN 52 9.232 -10.546 -7.806 366 HD22 ASN 52 2HD2 ASN 52 8.061 -11.195 -8.897 367 H GLN 53 H GLN 53 7.344 -6.302 -10.488 368 HA GLN 53 HA GLN 53 7.025 -4.267 -8.411 369 HB2 GLN 53 1HB GLN 53 5.738 -4.764 -11.069 370 HB3 GLN 53 2HB GLN 53 4.907 -3.782 -9.870 371 HG2 GLN 53 1HG GLN 53 6.485 -2.709 -11.674 372 HG3 GLN 53 2HG GLN 53 6.389 -2.069 -10.034 373 HE21 GLN 53 1HE2 GLN 53 8.139 -2.195 -8.709 374 HE22 GLN 53 2HE2 GLN 53 9.685 -2.774 -9.216 375 H ASN 54 H ASN 54 5.558 -7.221 -9.625 376 HA ASN 54 HA ASN 54 3.141 -7.379 -8.475 377 HB2 ASN 54 1HB ASN 54 3.397 -9.749 -8.304 378 HB3 ASN 54 2HB ASN 54 4.365 -9.229 -9.681 379 HD21 ASN 54 1HD2 ASN 54 6.582 -8.226 -8.361 380 HD22 ASN 54 2HD2 ASN 54 7.414 -9.530 -7.591 381 H ILE 55 H ILE 55 6.164 -7.218 -6.774 382 HA ILE 55 HA ILE 55 5.066 -7.991 -4.226 383 HB ILE 55 HB ILE 55 7.711 -6.711 -4.922 384 HG12 ILE 55 1HG1 ILE 55 7.054 -9.562 -4.151 385 HG13 ILE 55 2HG1 ILE 55 7.333 -9.013 -5.800 386 HG21 ILE 55 1HG2 ILE 55 6.463 -7.442 -2.337 387 HG22 ILE 55 2HG2 ILE 55 8.175 -7.809 -2.543 388 HG23 ILE 55 3HG2 ILE 55 7.601 -6.151 -2.723 389 HD11 ILE 55 1HD1 ILE 55 9.589 -8.142 -4.711 390 HD12 ILE 55 2HD1 ILE 55 9.249 -9.467 -3.598 391 HD13 ILE 55 3HD1 ILE 55 9.403 -9.784 -5.326 392 H VAL 56 H VAL 56 4.354 -6.705 -2.606 393 HA VAL 56 HA VAL 56 3.703 -3.971 -3.258 394 HB VAL 56 HB VAL 56 3.175 -5.615 -0.782 395 HG11 VAL 56 1HG1 VAL 56 3.227 -3.416 0.017 396 HG12 VAL 56 2HG1 VAL 56 2.482 -2.771 -1.447 397 HG13 VAL 56 3HG1 VAL 56 1.522 -3.720 -0.312 398 HG21 VAL 56 1HG2 VAL 56 1.934 -6.369 -2.717 399 HG22 VAL 56 2HG2 VAL 56 0.843 -5.560 -1.592 400 HG23 VAL 56 3HG2 VAL 56 1.391 -4.723 -3.045 401 H VAL 57 H VAL 57 5.157 -2.410 -3.025 402 HA VAL 57 HA VAL 57 7.138 -2.610 -0.864 403 HB VAL 57 HB VAL 57 7.143 -0.887 -3.346 404 HG11 VAL 57 1HG1 VAL 57 9.692 -0.917 -2.231 405 HG12 VAL 57 2HG1 VAL 57 8.555 0.433 -2.240 406 HG13 VAL 57 3HG1 VAL 57 8.607 -0.669 -0.863 407 HG21 VAL 57 1HG2 VAL 57 8.646 -2.353 -4.288 408 HG22 VAL 57 2HG2 VAL 57 9.171 -2.988 -2.729 409 HG23 VAL 57 3HG2 VAL 57 7.609 -3.464 -3.393 410 H ARG 58 H ARG 58 7.082 -1.261 0.818 411 HA ARG 58 HA ARG 58 5.085 0.887 0.793 412 HB2 ARG 58 1HB ARG 58 6.484 -0.552 3.048 413 HB3 ARG 58 2HB ARG 58 5.465 0.860 3.294 414 HG2 ARG 58 1HG ARG 58 4.335 -1.435 1.787 415 HG3 ARG 58 2HG ARG 58 4.526 -1.588 3.535 416 HD2 ARG 58 1HD ARG 58 2.406 -0.713 3.398 417 HD3 ARG 58 2HD ARG 58 3.368 0.755 3.566 418 HE ARG 58 HE ARG 58 3.218 0.503 0.907 419 HH11 ARG 58 2HH1 ARG 58 0.784 0.314 3.388 420 HH12 ARG 58 1HH1 ARG 58 -0.487 0.906 2.370 421 HH21 ARG 58 2HH2 ARG 58 1.554 1.283 -0.444 422 HH22 ARG 58 1HH2 ARG 58 -0.048 1.456 0.190 423 H GLY 59 H GLY 59 8.473 0.262 1.660 424 HA2 GLY 59 1HA GLY 59 9.303 2.840 0.779 425 HA3 GLY 59 2HA GLY 59 9.210 2.782 2.533 426 H TYR 60 H TYR 60 11.608 3.321 1.505 427 HA TYR 60 HA TYR 60 13.089 0.791 1.805 428 HB2 TYR 60 1HB TYR 60 14.055 3.168 0.217 429 HB3 TYR 60 2HB TYR 60 14.742 1.548 0.257 430 HD1 TYR 60 2HD TYR 60 11.823 3.522 -0.883 431 HD2 TYR 60 1HD TYR 60 13.964 -0.141 -1.203 432 HE1 TYR 60 2HE TYR 60 10.461 2.903 -2.834 433 HE2 TYR 60 1HE TYR 60 12.607 -0.770 -3.157 434 HH TYR 60 HH TYR 60 11.039 1.116 -4.989 435 H ALA 61 H ALA 61 15.334 1.099 2.622 436 HA ALA 61 HA ALA 61 15.453 3.330 4.548 437 HB1 ALA 61 1HB ALA 61 15.055 0.926 5.422 438 HB2 ALA 61 2HB ALA 61 16.770 0.697 5.078 439 HB3 ALA 61 3HB ALA 61 16.258 1.942 6.218 440 H ILE 62 H ILE 62 17.392 4.376 4.822 441 HA ILE 62 HA ILE 62 19.578 3.561 3.020 442 HB ILE 62 HB ILE 62 18.816 6.390 3.756 443 HG12 ILE 62 1HG1 ILE 62 18.703 5.332 0.967 444 HG13 ILE 62 2HG1 ILE 62 17.395 4.911 2.068 445 HG21 ILE 62 1HG2 ILE 62 20.690 7.120 2.743 446 HG22 ILE 62 2HG2 ILE 62 21.285 5.502 3.111 447 HG23 ILE 62 3HG2 ILE 62 20.639 5.861 1.509 448 HD11 ILE 62 1HD1 ILE 62 18.060 7.745 2.096 449 HD12 ILE 62 2HD1 ILE 62 17.520 7.156 0.524 450 HD13 ILE 62 3HD1 ILE 62 16.498 6.942 1.944 451 H GLY 63 H GLY 63 21.062 2.672 4.333 452 HA2 GLY 63 1HA GLY 63 21.681 4.037 6.869 453 HA3 GLY 63 2HA GLY 63 22.044 2.356 6.508 454 H TYR 64 H TYR 64 23.486 5.172 7.058 455 HA TYR 64 HA TYR 64 25.727 4.554 5.248 456 HB2 TYR 64 1HB TYR 64 26.239 7.044 5.353 457 HB3 TYR 64 2HB TYR 64 24.829 6.581 4.407 458 HD1 TYR 64 1HD TYR 64 22.536 6.743 5.571 459 HD2 TYR 64 2HD TYR 64 26.047 8.643 7.040 460 HE1 TYR 64 1HE TYR 64 21.143 8.286 6.885 461 HE2 TYR 64 2HE TYR 64 24.664 10.191 8.359 462 HH TYR 64 HH TYR 64 22.020 9.907 9.352 463 H GLY 65 H GLY 65 27.842 5.387 6.063 464 HA2 GLY 65 1HA GLY 65 28.591 6.330 8.440 465 HA3 GLY 65 2HA GLY 65 28.081 4.708 8.885 466 H ILE 66 H ILE 66 30.745 6.336 8.529 467 HA ILE 66 HA ILE 66 32.299 4.972 6.626 468 HB ILE 66 HB ILE 66 33.238 6.245 9.199 469 HG12 ILE 66 1HG1 ILE 66 33.846 8.057 7.331 470 HG13 ILE 66 2HG1 ILE 66 32.444 7.340 6.546 471 HG21 ILE 66 1HG2 ILE 66 34.658 5.300 6.734 472 HG22 ILE 66 2HG2 ILE 66 35.337 6.568 7.754 473 HG23 ILE 66 3HG2 ILE 66 35.028 4.967 8.426 474 HD11 ILE 66 1HD1 ILE 66 30.994 8.169 8.076 475 HD12 ILE 66 2HD1 ILE 66 32.171 8.115 9.389 476 HD13 ILE 66 3HD1 ILE 66 32.250 9.402 8.186 477 H GLY 67 H GLY 67 33.431 3.102 6.669 478 HA2 GLY 67 1HA GLY 67 34.406 1.178 7.530 479 HA3 GLY 67 2HA GLY 67 33.956 1.709 9.144 480 H SER 68 H SER 68 31.215 1.988 8.859 481 HA SER 68 HA SER 68 30.103 -0.429 7.752 482 HB2 SER 68 1HB SER 68 30.460 -0.088 10.723 483 HB3 SER 68 2HB SER 68 29.158 -1.081 10.066 484 HG SER 68 HG SER 68 31.715 -1.519 9.061 485 HA PRO 69 HA PRO 69 26.650 2.298 7.483 486 HB2 PRO 69 1HB PRO 69 24.743 0.461 6.885 487 HB3 PRO 69 2HB PRO 69 25.961 0.994 5.721 488 HG2 PRO 69 1HG PRO 69 25.905 -1.481 7.403 489 HG3 PRO 69 2HG PRO 69 26.355 -1.297 5.698 490 HD2 PRO 69 1HD PRO 69 28.192 -1.495 7.676 491 HD3 PRO 69 2HD PRO 69 28.470 -0.537 6.208 492 H HIS 70 H HIS 70 27.183 0.154 9.956 493 HA HIS 70 HA HIS 70 24.583 0.298 11.203 494 HB2 HIS 70 1HB HIS 70 27.246 -0.828 12.044 495 HB3 HIS 70 2HB HIS 70 25.890 -0.735 13.165 496 HD1 HIS 70 1HD HIS 70 23.676 -2.073 12.351 497 HD2 HIS 70 2HD HIS 70 27.245 -3.035 10.453 498 HE1 HIS 70 1HE HIS 70 23.273 -4.296 11.246 499 HE2 HIS 70 2HE HIS 70 25.472 -4.898 10.176 500 H ALA 71 H ALA 71 25.506 2.842 10.640 501 HA ALA 71 HA ALA 71 26.142 3.892 13.322 502 HB1 ALA 71 1HB ALA 71 26.984 4.861 10.608 503 HB2 ALA 71 2HB ALA 71 27.026 5.907 12.028 504 HB3 ALA 71 3HB ALA 71 27.993 4.432 11.989 505 H GLN 72 H GLN 72 24.819 5.190 10.272 506 HA GLN 72 HA GLN 72 22.485 6.144 11.783 507 HB2 GLN 72 1HB GLN 72 24.398 7.704 10.127 508 HB3 GLN 72 2HB GLN 72 22.694 8.121 9.992 509 HG2 GLN 72 1HG GLN 72 24.465 8.248 12.405 510 HG3 GLN 72 2HG GLN 72 23.548 9.543 11.637 511 HE21 GLN 72 1HE2 GLN 72 23.422 6.804 13.759 512 HE22 GLN 72 2HE2 GLN 72 21.839 7.101 14.385 513 H THR 73 H THR 73 20.542 6.220 10.660 514 HA THR 73 HA THR 73 20.527 5.322 7.876 515 HB THR 73 HB THR 73 20.264 3.362 9.571 516 HG1 THR 73 1HG THR 73 19.449 2.402 7.866 517 HG21 THR 73 1HG2 THR 73 18.212 4.968 10.499 518 HG22 THR 73 2HG2 THR 73 18.436 3.256 10.860 519 HG23 THR 73 3HG2 THR 73 17.380 3.747 9.537 520 H ILE 74 H ILE 74 18.568 5.764 6.756 521 HA ILE 74 HA ILE 74 16.626 7.453 8.158 522 HB ILE 74 HB ILE 74 17.911 8.227 5.537 523 HG12 ILE 74 1HG1 ILE 74 18.071 9.794 8.095 524 HG13 ILE 74 2HG1 ILE 74 19.217 8.498 7.772 525 HG21 ILE 74 1HG2 ILE 74 16.068 9.936 7.164 526 HG22 ILE 74 2HG2 ILE 74 16.501 10.073 5.461 527 HG23 ILE 74 3HG2 ILE 74 15.435 8.775 5.998 528 HD11 ILE 74 1HD1 ILE 74 19.406 9.858 5.469 529 HD12 ILE 74 2HD1 ILE 74 18.992 11.172 6.571 530 HD13 ILE 74 3HD1 ILE 74 20.413 10.175 6.881 531 H LYS 75 H LYS 75 14.683 6.623 7.825 532 HA LYS 75 HA LYS 75 14.189 5.046 5.405 533 HB2 LYS 75 1HB LYS 75 12.689 5.245 8.020 534 HB3 LYS 75 2HB LYS 75 12.127 4.308 6.641 535 HG2 LYS 75 1HG LYS 75 14.091 2.897 6.761 536 HG3 LYS 75 2HG LYS 75 14.732 3.869 8.088 537 HD2 LYS 75 1HD LYS 75 12.791 3.252 9.461 538 HD3 LYS 75 2HD LYS 75 12.175 2.263 8.135 539 HE2 LYS 75 1HE LYS 75 14.932 1.797 9.192 540 HE3 LYS 75 2HE LYS 75 13.538 1.159 10.063 541 HZ1 LYS 75 1HZ LYS 75 13.379 0.604 7.274 542 HZ2 LYS 75 2HZ LYS 75 13.311 -0.462 8.585 543 HZ3 LYS 75 3HZ LYS 75 14.808 -0.012 7.938 544 H VAL 76 H VAL 76 13.141 5.943 3.767 545 HA VAL 76 HA VAL 76 11.204 8.091 4.335 546 HB VAL 76 HB VAL 76 11.812 9.103 2.151 547 HG11 VAL 76 1HG1 VAL 76 13.696 8.912 4.440 548 HG12 VAL 76 2HG1 VAL 76 14.241 9.745 2.983 549 HG13 VAL 76 3HG1 VAL 76 12.795 10.299 3.828 550 HG21 VAL 76 1HG2 VAL 76 13.021 7.937 0.698 551 HG22 VAL 76 2HG2 VAL 76 14.407 8.073 1.780 552 HG23 VAL 76 3HG2 VAL 76 13.325 6.686 1.903 553 H ASP 77 H ASP 77 9.627 8.409 2.519 554 HA ASP 77 HA ASP 77 8.204 6.062 2.022 555 HB2 ASP 77 1HB ASP 77 8.081 8.709 0.562 556 HB3 ASP 77 2HB ASP 77 6.879 7.429 0.427 557 H TYR 78 H TYR 78 7.571 5.288 -0.211 558 HA TYR 78 HA TYR 78 9.907 4.361 -1.545 559 HB2 TYR 78 1HB TYR 78 8.332 3.249 -3.076 560 HB3 TYR 78 2HB TYR 78 7.897 2.979 -1.392 561 HD1 TYR 78 2HD TYR 78 5.923 4.085 -0.427 562 HD2 TYR 78 1HD TYR 78 6.899 4.499 -4.547 563 HE1 TYR 78 2HE TYR 78 3.652 4.918 -0.875 564 HE2 TYR 78 1HE TYR 78 4.632 5.334 -5.007 565 HH TYR 78 HH TYR 78 2.217 4.951 -3.637 566 H LYS 79 H LYS 79 7.351 6.665 -2.399 567 HA LYS 79 HA LYS 79 7.875 7.283 -4.974 568 HB2 LYS 79 1HB LYS 79 7.416 9.299 -2.767 569 HB3 LYS 79 2HB LYS 79 7.190 9.601 -4.485 570 HG2 LYS 79 1HG LYS 79 5.309 8.239 -4.603 571 HG3 LYS 79 2HG LYS 79 5.702 7.404 -3.099 572 HD2 LYS 79 1HD LYS 79 5.448 9.855 -2.115 573 HD3 LYS 79 2HD LYS 79 4.414 10.048 -3.532 574 HE2 LYS 79 1HE LYS 79 2.890 9.311 -1.981 575 HE3 LYS 79 2HE LYS 79 3.386 7.784 -2.709 576 HZ1 LYS 79 1HZ LYS 79 3.384 8.277 -0.076 577 HZ2 LYS 79 2HZ LYS 79 4.992 8.634 -0.460 578 HZ3 LYS 79 3HZ LYS 79 4.355 7.109 -0.822 579 H GLN 80 H GLN 80 9.742 8.414 -2.183 580 HA GLN 80 HA GLN 80 11.466 10.171 -3.431 581 HB2 GLN 80 1HB GLN 80 11.846 8.314 -1.096 582 HB3 GLN 80 2HB GLN 80 13.137 9.378 -1.636 583 HG2 GLN 80 1HG GLN 80 10.471 10.107 -0.483 584 HG3 GLN 80 2HG GLN 80 12.081 10.530 0.098 585 HE21 GLN 80 1HE2 GLN 80 9.447 11.467 -1.801 586 HE22 GLN 80 2HE2 GLN 80 10.140 12.888 -2.498 587 H ARG 81 H ARG 81 12.727 9.897 -5.138 588 HA ARG 81 HA ARG 81 13.574 7.261 -5.960 589 HB2 ARG 81 1HB ARG 81 12.809 9.171 -7.497 590 HB3 ARG 81 2HB ARG 81 14.405 9.859 -7.233 591 HG2 ARG 81 1HG ARG 81 14.173 7.032 -8.145 592 HG3 ARG 81 2HG ARG 81 13.935 8.343 -9.302 593 HD2 ARG 81 1HD ARG 81 16.331 8.286 -7.504 594 HD3 ARG 81 2HD ARG 81 16.302 7.357 -9.002 595 HE ARG 81 HE ARG 81 16.565 10.204 -8.734 596 HH11 ARG 81 2HH1 ARG 81 15.555 7.613 -10.829 597 HH12 ARG 81 1HH1 ARG 81 15.778 8.527 -12.283 598 HH21 ARG 81 2HH2 ARG 81 16.863 11.418 -10.642 599 HH22 ARG 81 1HH2 ARG 81 16.523 10.691 -12.176 600 H TYR 82 H TYR 82 15.062 10.196 -4.690 601 HA TYR 82 HA TYR 82 17.423 8.633 -3.972 602 HB2 TYR 82 1HB TYR 82 18.980 10.181 -4.902 603 HB3 TYR 82 2HB TYR 82 17.837 9.787 -6.181 604 HD1 TYR 82 2HD TYR 82 15.979 11.437 -6.684 605 HD2 TYR 82 1HD TYR 82 19.306 12.407 -4.216 606 HE1 TYR 82 2HE TYR 82 15.518 13.830 -7.014 607 HE2 TYR 82 1HE TYR 82 18.853 14.803 -4.538 608 HH TYR 82 HH TYR 82 17.447 16.137 -6.693 609 H TYR 83 H TYR 83 18.890 9.931 -2.506 610 HA TYR 83 HA TYR 83 17.436 11.944 -0.950 611 HB2 TYR 83 1HB TYR 83 17.159 9.628 0.056 612 HB3 TYR 83 2HB TYR 83 18.889 9.654 0.375 613 HD1 TYR 83 2HD TYR 83 19.821 11.367 1.940 614 HD2 TYR 83 1HD TYR 83 15.633 10.797 1.450 615 HE1 TYR 83 2HE TYR 83 19.417 12.556 4.055 616 HE2 TYR 83 1HE TYR 83 15.218 11.986 3.562 617 HH TYR 83 HH TYR 83 16.777 12.383 5.788 618 H THR 84 H THR 84 18.667 13.648 -0.516 619 HA THR 84 HA THR 84 21.566 13.414 -0.905 620 HB THR 84 HB THR 84 19.825 15.886 -0.830 621 HG1 THR 84 1HG THR 84 19.665 14.462 -2.717 622 HG21 THR 84 1HG2 THR 84 21.738 17.155 -1.389 623 HG22 THR 84 2HG2 THR 84 22.701 15.710 -1.702 624 HG23 THR 84 3HG2 THR 84 22.237 16.120 -0.051 625 H ILE 85 H ILE 85 22.550 12.926 0.964 626 HA ILE 85 HA ILE 85 21.584 13.909 3.497 627 HB ILE 85 HB ILE 85 24.149 12.427 2.914 628 HG12 ILE 85 1HG1 ILE 85 21.570 11.241 3.932 629 HG13 ILE 85 2HG1 ILE 85 21.968 11.288 2.218 630 HG21 ILE 85 1HG2 ILE 85 23.333 11.769 5.445 631 HG22 ILE 85 2HG2 ILE 85 24.569 12.960 5.043 632 HG23 ILE 85 3HG2 ILE 85 22.909 13.478 5.336 633 HD11 ILE 85 1HD1 ILE 85 22.513 9.198 3.731 634 HD12 ILE 85 2HD1 ILE 85 23.570 9.692 2.408 635 HD13 ILE 85 3HD1 ILE 85 23.971 10.131 4.068 636 H GLU 86 H GLU 86 22.349 15.575 4.670 637 HA GLU 86 HA GLU 86 24.638 17.068 3.564 638 HB2 GLU 86 1HB GLU 86 22.281 18.185 5.094 639 HB3 GLU 86 2HB GLU 86 23.611 19.111 4.411 640 HG2 GLU 86 1HG GLU 86 22.930 18.395 2.162 641 HG3 GLU 86 2HG GLU 86 21.568 17.526 2.869 642 H ASN 87 H ASN 87 25.252 18.781 5.497 643 HA ASN 87 HA ASN 87 26.576 18.921 7.352 644 HB2 ASN 87 1HB ASN 87 25.405 17.754 9.408 645 HB3 ASN 87 2HB ASN 87 24.700 19.189 8.669 646 HD21 ASN 87 1HD2 ASN 87 22.874 18.972 7.354 647 HD22 ASN 87 2HD2 ASN 87 21.869 17.569 7.425 648 H LEU 88 H LEU 88 27.597 17.050 5.710 649 HA LEU 88 HA LEU 88 28.254 14.766 7.446 650 HB2 LEU 88 1HB LEU 88 28.395 15.091 4.456 651 HB3 LEU 88 2HB LEU 88 29.078 13.714 5.320 652 HG LEU 88 HG LEU 88 26.162 14.427 5.491 653 HD11 LEU 88 1HD1 LEU 88 25.711 13.530 3.505 654 HD12 LEU 88 2HD1 LEU 88 26.809 12.178 3.776 655 HD13 LEU 88 3HD1 LEU 88 27.429 13.705 3.148 656 HD21 LEU 88 1HD2 LEU 88 26.075 11.929 5.963 657 HD22 LEU 88 2HD2 LEU 88 26.778 12.952 7.215 658 HD23 LEU 88 3HD2 LEU 88 27.827 12.014 6.151 659 H ASP 89 H ASP 89 30.560 13.870 6.703 660 HA ASP 89 HA ASP 89 32.408 16.151 6.945 661 HB2 ASP 89 1HB ASP 89 32.681 13.302 7.921 662 HB3 ASP 89 2HB ASP 89 33.977 14.494 7.982 663 HA PRO 90 HA PRO 90 33.793 14.967 2.888 664 HB2 PRO 90 1HB PRO 90 35.798 16.791 2.727 665 HB3 PRO 90 2HB PRO 90 34.095 17.213 2.509 666 HG2 PRO 90 1HG PRO 90 35.828 17.522 4.930 667 HG3 PRO 90 2HG PRO 90 34.652 18.658 4.243 668 HD2 PRO 90 1HD PRO 90 34.089 17.092 6.380 669 HD3 PRO 90 2HD PRO 90 32.856 17.569 5.194 670 H SER 91 H SER 91 36.112 14.667 1.910 671 HA SER 91 HA SER 91 37.825 13.144 1.840 672 HB2 SER 91 1HB SER 91 39.554 13.634 3.698 673 HB3 SER 91 2HB SER 91 39.140 14.942 2.590 674 HG SER 91 HG SER 91 39.115 15.230 5.064 675 H SER 92 H SER 92 35.537 12.006 2.969 676 HA SER 92 HA SER 92 36.772 9.982 4.672 677 HB2 SER 92 1HB SER 92 34.510 11.762 5.462 678 HB3 SER 92 2HB SER 92 34.463 10.077 5.981 679 HG SER 92 HG SER 92 36.431 10.375 7.015 680 H HIS 93 H HIS 93 36.133 7.967 4.178 681 HA HIS 93 HA HIS 93 34.345 7.602 1.949 682 HB2 HIS 93 1HB HIS 93 36.158 6.148 1.838 683 HB3 HIS 93 2HB HIS 93 36.120 5.807 3.565 684 HD1 HIS 93 1HD HIS 93 35.578 3.420 3.860 685 HD2 HIS 93 2HD HIS 93 33.365 5.131 0.787 686 HE1 HIS 93 1HE HIS 93 34.049 1.600 3.039 687 HE2 HIS 93 2HE HIS 93 32.780 2.634 1.124 688 H TYR 94 H TYR 94 32.235 7.251 2.074 689 HA TYR 94 HA TYR 94 31.122 6.305 4.633 690 HB2 TYR 94 1HB TYR 94 30.160 8.318 2.645 691 HB3 TYR 94 2HB TYR 94 28.968 7.405 3.563 692 HD1 TYR 94 2HD TYR 94 31.833 9.728 3.873 693 HD2 TYR 94 1HD TYR 94 28.512 7.924 5.828 694 HE1 TYR 94 2HE TYR 94 32.109 11.279 5.762 695 HE2 TYR 94 1HE TYR 94 28.779 9.470 7.722 696 HH TYR 94 HH TYR 94 30.350 12.218 7.643 697 H VAL 95 H VAL 95 30.022 4.451 4.644 698 HA VAL 95 HA VAL 95 29.565 3.101 2.085 699 HB VAL 95 HB VAL 95 29.462 1.978 4.889 700 HG11 VAL 95 1HG1 VAL 95 28.621 0.111 4.029 701 HG12 VAL 95 2HG1 VAL 95 28.403 0.965 2.500 702 HG13 VAL 95 3HG1 VAL 95 29.884 0.054 2.799 703 HG21 VAL 95 1HG2 VAL 95 31.567 0.801 3.561 704 HG22 VAL 95 2HG2 VAL 95 31.660 2.485 3.047 705 HG23 VAL 95 3HG2 VAL 95 31.691 2.085 4.764 706 H ILE 96 H ILE 96 27.625 3.529 1.241 707 HA ILE 96 HA ILE 96 25.314 3.875 2.990 708 HB ILE 96 HB ILE 96 25.579 4.240 0.003 709 HG12 ILE 96 1HG1 ILE 96 25.235 6.674 0.664 710 HG13 ILE 96 2HG1 ILE 96 25.532 6.170 2.324 711 HG21 ILE 96 1HG2 ILE 96 23.298 3.562 0.921 712 HG22 ILE 96 2HG2 ILE 96 23.277 5.140 1.707 713 HG23 ILE 96 3HG2 ILE 96 23.371 5.032 -0.051 714 HD11 ILE 96 1HD1 ILE 96 27.518 5.475 0.221 715 HD12 ILE 96 2HD1 ILE 96 27.461 7.119 0.856 716 HD13 ILE 96 3HD1 ILE 96 27.752 5.764 1.945 717 H THR 97 H THR 97 23.553 2.544 3.014 718 HA THR 97 HA THR 97 23.601 0.172 1.281 719 HB THR 97 HB THR 97 22.771 -1.165 3.274 720 HG1 THR 97 1HG THR 97 22.642 1.067 4.465 721 HG21 THR 97 1HG2 THR 97 25.518 -0.298 3.952 722 HG22 THR 97 2HG2 THR 97 25.253 -0.852 2.299 723 HG23 THR 97 3HG2 THR 97 24.880 -1.914 3.657 724 H LEU 98 H LEU 98 21.708 -0.208 0.328 725 HA LEU 98 HA LEU 98 19.296 1.034 1.480 726 HB2 LEU 98 1HB LEU 98 19.928 2.123 -0.582 727 HB3 LEU 98 2HB LEU 98 20.016 0.569 -1.410 728 HG LEU 98 HG LEU 98 17.467 0.456 -0.708 729 HD11 LEU 98 1HD1 LEU 98 18.230 3.173 -0.094 730 HD12 LEU 98 2HD1 LEU 98 16.723 2.320 0.243 731 HD13 LEU 98 3HD1 LEU 98 16.956 3.119 -1.312 732 HD21 LEU 98 1HD2 LEU 98 17.929 0.257 -2.959 733 HD22 LEU 98 2HD2 LEU 98 18.787 1.796 -3.029 734 HD23 LEU 98 3HD2 LEU 98 17.027 1.773 -2.910 735 H LYS 99 H LYS 99 17.448 -0.167 1.624 736 HA LYS 99 HA LYS 99 17.380 -2.842 0.469 737 HB2 LYS 99 1HB LYS 99 16.961 -3.967 2.536 738 HB3 LYS 99 2HB LYS 99 18.435 -3.030 2.739 739 HG2 LYS 99 1HG LYS 99 17.331 -1.400 4.049 740 HG3 LYS 99 2HG LYS 99 15.741 -2.039 3.626 741 HD2 LYS 99 1HD LYS 99 16.080 -2.881 5.763 742 HD3 LYS 99 2HD LYS 99 16.590 -4.221 4.733 743 HE2 LYS 99 1HE LYS 99 18.888 -3.705 5.063 744 HE3 LYS 99 2HE LYS 99 18.498 -2.166 5.829 745 HZ1 LYS 99 1HZ LYS 99 18.710 -3.296 7.724 746 HZ2 LYS 99 2HZ LYS 99 18.600 -4.804 6.968 747 HZ3 LYS 99 3HZ LYS 99 17.193 -3.958 7.375 748 H ALA 100 H ALA 100 15.361 -3.498 -0.067 749 HA ALA 100 HA ALA 100 13.217 -1.568 0.266 750 HB1 ALA 100 1HB ALA 100 12.503 -4.032 -1.097 751 HB2 ALA 100 2HB ALA 100 12.435 -2.363 -1.664 752 HB3 ALA 100 3HB ALA 100 13.942 -3.272 -1.779 753 H PHE 101 H PHE 101 11.562 -1.749 1.640 754 HA PHE 101 HA PHE 101 10.966 -4.358 2.833 755 HB2 PHE 101 1HB PHE 101 11.054 -3.586 5.053 756 HB3 PHE 101 2HB PHE 101 12.503 -2.919 4.309 757 HD1 PHE 101 2HD PHE 101 12.642 -0.533 3.778 758 HD2 PHE 101 1HD PHE 101 9.277 -2.178 5.801 759 HE1 PHE 101 2HE PHE 101 11.959 1.726 4.472 760 HE2 PHE 101 1HE PHE 101 8.588 0.080 6.497 761 HZ PHE 101 HZ PHE 101 9.931 2.035 5.833 762 H ASN 102 H ASN 102 8.832 -4.694 3.332 763 HA ASN 102 HA ASN 102 6.979 -2.472 2.784 764 HB2 ASN 102 1HB ASN 102 5.520 -3.902 1.568 765 HB3 ASN 102 2HB ASN 102 7.133 -4.200 0.927 766 HD21 ASN 102 1HD2 ASN 102 5.316 -6.050 0.415 767 HD22 ASN 102 2HD2 ASN 102 5.555 -7.463 1.380 768 H ASN 103 H ASN 103 4.615 -3.483 3.433 769 HA ASN 103 HA ASN 103 4.382 -3.308 6.137 770 HB2 ASN 103 1HB ASN 103 2.493 -3.336 4.493 771 HB3 ASN 103 2HB ASN 103 2.641 -5.089 4.420 772 HD21 ASN 103 1HD2 ASN 103 2.211 -2.441 6.728 773 HD22 ASN 103 2HD2 ASN 103 1.159 -3.308 7.790 774 H VAL 104 H VAL 104 5.379 -6.082 4.294 775 HA VAL 104 HA VAL 104 5.067 -7.970 6.437 776 HB VAL 104 HB VAL 104 6.800 -8.326 3.998 777 HG11 VAL 104 1HG1 VAL 104 5.870 -10.726 4.385 778 HG12 VAL 104 2HG1 VAL 104 7.190 -10.127 5.391 779 HG13 VAL 104 3HG1 VAL 104 5.540 -10.137 6.014 780 HG21 VAL 104 1HG2 VAL 104 4.672 -7.598 3.174 781 HG22 VAL 104 2HG2 VAL 104 4.783 -9.343 2.939 782 HG23 VAL 104 3HG2 VAL 104 3.820 -8.691 4.265 783 H GLY 105 H GLY 105 7.853 -6.384 4.880 784 HA2 GLY 105 1HA GLY 105 9.320 -5.738 7.066 785 HA3 GLY 105 2HA GLY 105 9.688 -7.442 6.842 786 H GLU 106 H GLU 106 11.878 -6.287 6.657 787 HA GLU 106 HA GLU 106 12.344 -5.229 3.971 788 HB2 GLU 106 1HB GLU 106 14.578 -4.635 4.816 789 HB3 GLU 106 2HB GLU 106 13.298 -3.959 5.813 790 HG2 GLU 106 1HG GLU 106 14.867 -4.739 7.340 791 HG3 GLU 106 2HG GLU 106 13.629 -5.993 7.314 792 H GLY 107 H GLY 107 14.266 -5.996 2.775 793 HA2 GLY 107 1HA GLY 107 14.517 -8.921 3.062 794 HA3 GLY 107 2HA GLY 107 14.677 -8.044 1.548 795 H ILE 108 H ILE 108 16.692 -8.073 0.836 796 HA ILE 108 HA ILE 108 18.882 -8.046 2.800 797 HB ILE 108 HB ILE 108 20.160 -8.693 0.536 798 HG12 ILE 108 1HG1 ILE 108 17.818 -8.607 -0.595 799 HG13 ILE 108 2HG1 ILE 108 18.901 -9.941 -0.977 800 HG21 ILE 108 1HG2 ILE 108 20.132 -9.917 2.689 801 HG22 ILE 108 2HG2 ILE 108 18.629 -10.692 2.192 802 HG23 ILE 108 3HG2 ILE 108 20.113 -10.981 1.283 803 HD11 ILE 108 1HD1 ILE 108 17.636 -11.470 0.169 804 HD12 ILE 108 2HD1 ILE 108 16.925 -10.251 1.228 805 HD13 ILE 108 3HD1 ILE 108 16.394 -10.382 -0.448 806 HA PRO 109 HA PRO 109 19.645 -3.884 1.405 807 HB2 PRO 109 1HB PRO 109 21.845 -3.477 2.943 808 HB3 PRO 109 2HB PRO 109 20.199 -3.421 3.586 809 HG2 PRO 109 1HG PRO 109 22.198 -5.647 3.688 810 HG3 PRO 109 2HG PRO 109 21.117 -5.055 4.963 811 HD2 PRO 109 1HD PRO 109 20.577 -7.275 3.510 812 HD3 PRO 109 2HD PRO 109 19.302 -6.209 4.135 813 H LEU 110 H LEU 110 21.564 -2.681 0.536 814 HA LEU 110 HA LEU 110 23.269 -4.506 -1.025 815 HB2 LEU 110 1HB LEU 110 22.165 -1.782 -1.658 816 HB3 LEU 110 2HB LEU 110 23.474 -2.513 -2.583 817 HG LEU 110 HG LEU 110 20.858 -3.937 -2.258 818 HD11 LEU 110 1HD1 LEU 110 20.218 -2.915 -4.457 819 HD12 LEU 110 2HD1 LEU 110 21.511 -1.742 -4.211 820 HD13 LEU 110 3HD1 LEU 110 20.163 -1.819 -3.077 821 HD21 LEU 110 1HD2 LEU 110 21.553 -4.804 -4.507 822 HD22 LEU 110 2HD2 LEU 110 22.608 -5.266 -3.171 823 HD23 LEU 110 3HD2 LEU 110 23.093 -3.978 -4.275 824 H TYR 111 H TYR 111 25.351 -3.364 -1.779 825 HA TYR 111 HA TYR 111 26.470 -1.774 0.431 826 HB2 TYR 111 1HB TYR 111 27.528 -4.269 -0.839 827 HB3 TYR 111 2HB TYR 111 28.663 -3.071 -0.227 828 HD1 TYR 111 2HD TYR 111 25.517 -4.741 0.930 829 HD2 TYR 111 1HD TYR 111 29.450 -3.439 1.902 830 HE1 TYR 111 2HE TYR 111 25.255 -5.661 3.196 831 HE2 TYR 111 1HE TYR 111 29.199 -4.357 4.171 832 HH TYR 111 HH TYR 111 26.159 -5.469 5.377 833 H GLU 112 H GLU 112 27.154 0.129 -0.267 834 HA GLU 112 HA GLU 112 28.301 0.312 -2.973 835 HB2 GLU 112 1HB GLU 112 26.174 1.948 -1.692 836 HB3 GLU 112 2HB GLU 112 27.340 2.790 -2.703 837 HG2 GLU 112 1HG GLU 112 25.641 0.460 -3.564 838 HG3 GLU 112 2HG GLU 112 25.331 2.154 -3.939 839 H SER 113 H SER 113 29.353 2.684 -3.114 840 HA SER 113 HA SER 113 30.827 3.262 -0.655 841 HB2 SER 113 1HB SER 113 32.976 3.304 -1.939 842 HB3 SER 113 2HB SER 113 32.276 1.693 -1.786 843 HG SER 113 HG SER 113 31.298 2.208 -3.930 844 H ALA 114 H ALA 114 31.721 5.351 -0.562 845 HA ALA 114 HA ALA 114 31.483 7.172 -2.769 846 HB1 ALA 114 1HB ALA 114 29.718 8.488 -2.111 847 HB2 ALA 114 2HB ALA 114 29.136 6.888 -1.649 848 HB3 ALA 114 3HB ALA 114 29.814 7.966 -0.429 849 H VAL 115 H VAL 115 33.380 8.167 -2.577 850 HA VAL 115 HA VAL 115 34.389 8.842 0.093 851 HB VAL 115 HB VAL 115 35.812 8.843 -2.572 852 HG11 VAL 115 1HG1 VAL 115 37.109 9.081 0.122 853 HG12 VAL 115 2HG1 VAL 115 37.787 9.433 -1.469 854 HG13 VAL 115 3HG1 VAL 115 36.570 10.502 -0.771 855 HG21 VAL 115 1HG2 VAL 115 35.090 6.676 -1.089 856 HG22 VAL 115 2HG2 VAL 115 36.479 6.735 -2.174 857 HG23 VAL 115 3HG2 VAL 115 36.695 7.026 -0.448 858 H THR 116 H THR 116 33.709 10.779 0.758 859 HA THR 116 HA THR 116 32.926 12.898 -0.925 860 HB THR 116 HB THR 116 33.058 14.307 1.149 861 HG1 THR 116 1HG THR 116 33.548 11.976 2.633 862 HG21 THR 116 1HG2 THR 116 31.393 12.786 2.444 863 HG22 THR 116 2HG2 THR 116 31.558 11.715 1.053 864 HG23 THR 116 3HG2 THR 116 30.961 13.360 0.834 865 H ARG 117 H ARG 117 34.052 14.437 -1.932 866 HA ARG 117 HA ARG 117 36.852 14.373 -2.099 867 HB2 ARG 117 1HB ARG 117 34.823 16.453 -2.899 868 HB3 ARG 117 2HB ARG 117 36.544 16.656 -3.200 869 HG2 ARG 117 1HG ARG 117 36.533 14.576 -4.518 870 HG3 ARG 117 2HG ARG 117 34.791 14.452 -4.264 871 HD2 ARG 117 1HD ARG 117 34.995 15.449 -6.367 872 HD3 ARG 117 2HD ARG 117 34.662 16.796 -5.279 873 HE ARG 117 HE ARG 117 37.464 16.330 -5.680 874 HH11 ARG 117 2HH1 ARG 117 34.623 17.882 -6.961 875 HH12 ARG 117 1HH1 ARG 117 35.514 19.090 -7.826 876 HH21 ARG 117 2HH2 ARG 117 38.648 17.915 -6.815 877 HH22 ARG 117 1HH2 ARG 117 37.803 19.107 -7.743 878 HA PRO 118 HA PRO 118 38.283 16.753 1.300 879 HB2 PRO 118 1HB PRO 118 40.428 18.008 0.208 880 HB3 PRO 118 2HB PRO 118 40.414 16.280 0.582 881 HG2 PRO 118 1HG PRO 118 39.976 17.653 -2.042 882 HG3 PRO 118 2HG PRO 118 40.926 16.199 -1.684 883 HD2 PRO 118 1HD PRO 118 38.436 16.088 -2.742 884 HD3 PRO 118 2HD PRO 118 39.066 14.839 -1.649 885 H HIS 119 H HIS 119 37.208 18.454 2.074 886 HA HIS 119 HA HIS 119 36.195 20.565 0.504 887 HB2 HIS 119 1HB HIS 119 35.288 19.819 2.723 888 HB3 HIS 119 2HB HIS 119 36.668 20.598 3.490 889 HD1 HIS 119 1HD HIS 119 36.667 23.204 1.765 890 HD2 HIS 119 2HD HIS 119 33.324 21.529 3.576 891 HE1 HIS 119 1HE HIS 119 35.031 25.095 2.035 892 HE2 HIS 119 2HE HIS 119 33.050 24.075 3.211 893 H THR 120 H THR 120 37.907 21.443 -0.685 894 HA THR 120 HA THR 120 39.917 22.927 0.875 895 HB THR 120 HB THR 120 41.272 22.987 -1.185 896 HG1 THR 120 1HG THR 120 38.968 21.798 -2.221 897 HG21 THR 120 1HG2 THR 120 41.250 21.038 0.543 898 HG22 THR 120 2HG2 THR 120 42.122 20.839 -0.977 899 HG23 THR 120 3HG2 THR 120 40.526 20.117 -0.773 900 H SER 121 H SER 121 38.973 24.873 1.245 901 HA SER 121 HA SER 121 38.038 26.917 0.857 902 HB2 SER 121 1HB SER 121 39.676 26.526 -1.651 903 HB3 SER 121 2HB SER 121 38.863 28.042 -1.266 904 HG SER 121 HG SER 121 40.066 27.812 0.829 905 H GLY 122 H GLY 122 36.288 24.824 0.338 906 HA2 GLY 122 1HA GLY 122 34.399 24.230 -0.852 907 HA3 GLY 122 2HA GLY 122 34.152 25.970 -0.882 908 HA PRO 123 HA PRO 123 34.278 24.637 -5.272 909 HB2 PRO 123 1HB PRO 123 32.396 26.416 -6.085 910 HB3 PRO 123 2HB PRO 123 31.993 24.837 -5.400 911 HG2 PRO 123 1HG PRO 123 32.022 27.523 -4.079 912 HG3 PRO 123 2HG PRO 123 30.826 26.221 -3.941 913 HD2 PRO 123 1HD PRO 123 32.727 26.659 -2.062 914 HD3 PRO 123 2HD PRO 123 32.103 25.038 -2.430 915 H SER 124 H SER 124 35.324 27.229 -3.529 916 HA SER 124 HA SER 124 35.896 28.970 -5.791 917 HB2 SER 124 1HB SER 124 35.197 29.957 -3.630 918 HB3 SER 124 2HB SER 124 36.638 29.282 -2.871 919 HG SER 124 HG SER 124 36.613 31.142 -5.017 920 H SER 125 H SER 125 37.630 28.648 -6.998 921 HA SER 125 HA SER 125 39.981 27.357 -5.781 922 HB2 SER 125 1HB SER 125 38.654 26.332 -7.823 923 HB3 SER 125 2HB SER 125 39.608 27.492 -8.747 924 HG SER 125 HG SER 125 41.308 26.291 -8.462 925 H GLY 126 H GLY 126 42.036 28.190 -6.167 926 HA2 GLY 126 1HA GLY 126 43.436 30.051 -6.146 927 HA3 GLY 126 2HA GLY 126 43.003 30.025 -7.849 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -47.785 3.222 -15.248 2 HA2 GLY 1 1HA GLY 1 -50.265 2.772 -15.559 3 HA3 GLY 1 2HA GLY 1 -49.207 1.599 -16.329 4 H SER 2 H SER 2 -51.518 0.568 -15.943 5 HA SER 2 HA SER 2 -52.350 -0.357 -13.485 6 HB2 SER 2 1HB SER 2 -52.488 -1.712 -16.186 7 HB3 SER 2 2HB SER 2 -53.344 -2.290 -14.757 8 HG SER 2 HG SER 2 -54.251 -0.075 -14.695 9 H SER 3 H SER 3 -50.034 -1.882 -15.706 10 HA SER 3 HA SER 3 -49.267 -3.727 -13.548 11 HB2 SER 3 1HB SER 3 -50.000 -4.751 -15.697 12 HB3 SER 3 2HB SER 3 -48.658 -3.942 -16.506 13 HG SER 3 HG SER 3 -47.480 -5.559 -15.903 14 H GLY 4 H GLY 4 -46.944 -4.266 -13.392 15 HA2 GLY 4 1HA GLY 4 -45.114 -2.224 -14.395 16 HA3 GLY 4 2HA GLY 4 -45.289 -2.340 -12.650 17 H SER 5 H SER 5 -44.372 -4.047 -11.548 18 HA SER 5 HA SER 5 -42.874 -5.705 -11.124 19 HB2 SER 5 1HB SER 5 -43.585 -6.604 -13.928 20 HB3 SER 5 2HB SER 5 -42.736 -7.574 -12.725 21 HG SER 5 HG SER 5 -44.577 -8.015 -11.820 22 H SER 6 H SER 6 -41.838 -3.266 -11.972 23 HA SER 6 HA SER 6 -39.230 -4.088 -12.849 24 HB2 SER 6 1HB SER 6 -39.166 -2.510 -14.794 25 HB3 SER 6 2HB SER 6 -40.235 -3.892 -15.036 26 HG SER 6 HG SER 6 -40.908 -1.207 -14.486 27 H GLY 7 H GLY 7 -37.637 -2.608 -12.325 28 HA2 GLY 7 1HA GLY 7 -38.081 0.111 -11.732 29 HA3 GLY 7 2HA GLY 7 -38.167 -0.816 -10.241 30 HA PRO 8 HA PRO 8 -33.757 0.347 -10.747 31 HB2 PRO 8 1HB PRO 8 -33.327 0.698 -8.090 32 HB3 PRO 8 2HB PRO 8 -33.997 1.961 -9.129 33 HG2 PRO 8 1HG PRO 8 -35.414 0.082 -7.279 34 HG3 PRO 8 2HG PRO 8 -35.680 1.817 -7.531 35 HD2 PRO 8 1HD PRO 8 -37.255 -0.078 -8.655 36 HD3 PRO 8 2HD PRO 8 -36.920 1.476 -9.445 37 H ALA 9 H ALA 9 -31.897 -0.836 -10.260 38 HA ALA 9 HA ALA 9 -32.395 -3.487 -9.075 39 HB1 ALA 9 1HB ALA 9 -31.172 -2.703 -11.542 40 HB2 ALA 9 2HB ALA 9 -30.001 -3.567 -10.545 41 HB3 ALA 9 3HB ALA 9 -31.544 -4.321 -10.946 42 H THR 10 H THR 10 -30.882 -4.368 -7.654 43 HA THR 10 HA THR 10 -29.549 -2.505 -5.974 44 HB THR 10 HB THR 10 -29.258 -5.515 -6.013 45 HG1 THR 10 1HG THR 10 -30.880 -4.178 -4.164 46 HG21 THR 10 1HG2 THR 10 -28.203 -5.385 -3.987 47 HG22 THR 10 2HG2 THR 10 -28.989 -3.867 -3.552 48 HG23 THR 10 3HG2 THR 10 -27.646 -3.870 -4.696 49 H ASP 11 H ASP 11 -27.442 -1.936 -5.832 50 HA ASP 11 HA ASP 11 -25.528 -3.262 -7.629 51 HB2 ASP 11 1HB ASP 11 -24.644 -1.196 -8.393 52 HB3 ASP 11 2HB ASP 11 -26.394 -1.048 -8.534 53 H TRP 12 H TRP 12 -23.463 -3.492 -6.859 54 HA TRP 12 HA TRP 12 -22.874 -2.368 -4.208 55 HB2 TRP 12 1HB TRP 12 -21.868 -4.527 -3.535 56 HB3 TRP 12 2HB TRP 12 -23.598 -4.661 -3.839 57 HD1 TRP 12 HD TRP 12 -24.122 -5.536 -6.541 58 HE1 TRP 12 1HE TRP 12 -22.995 -7.520 -7.733 59 HE3 TRP 12 3HE TRP 12 -19.911 -5.924 -3.668 60 HZ2 TRP 12 2HZ TRP 12 -20.634 -9.048 -7.487 61 HZ3 TRP 12 3HZ TRP 12 -18.269 -7.673 -4.212 62 HH2 TRP 12 HH TRP 12 -18.625 -9.203 -6.082 63 H LEU 13 H LEU 13 -20.651 -2.091 -3.736 64 HA LEU 13 HA LEU 13 -18.835 -2.374 -6.033 65 HB2 LEU 13 1HB LEU 13 -17.921 -0.210 -5.680 66 HB3 LEU 13 2HB LEU 13 -19.672 -0.040 -5.788 67 HG LEU 13 HG LEU 13 -18.175 -0.101 -3.174 68 HD11 LEU 13 1HD1 LEU 13 -17.318 1.823 -4.135 69 HD12 LEU 13 2HD1 LEU 13 -18.736 2.419 -3.273 70 HD13 LEU 13 3HD1 LEU 13 -18.806 2.169 -5.017 71 HD21 LEU 13 1HD2 LEU 13 -20.206 -0.160 -2.287 72 HD22 LEU 13 2HD2 LEU 13 -20.932 -0.172 -3.894 73 HD23 LEU 13 3HD2 LEU 13 -20.591 1.362 -3.091 74 H SER 14 H SER 14 -16.487 -1.799 -5.199 75 HA SER 14 HA SER 14 -16.086 -3.373 -2.742 76 HB2 SER 14 1HB SER 14 -15.175 -4.104 -5.114 77 HB3 SER 14 2HB SER 14 -13.888 -2.961 -4.730 78 HG SER 14 HG SER 14 -13.089 -4.398 -3.439 79 H ALA 15 H ALA 15 -13.855 -2.856 -1.720 80 HA ALA 15 HA ALA 15 -13.355 0.040 -1.761 81 HB1 ALA 15 1HB ALA 15 -13.971 0.357 0.353 82 HB2 ALA 15 2HB ALA 15 -14.722 -1.238 0.283 83 HB3 ALA 15 3HB ALA 15 -13.080 -1.063 0.901 84 H GLU 16 H GLU 16 -12.177 -2.897 -0.101 85 HA GLU 16 HA GLU 16 -9.452 -1.959 -0.271 86 HB2 GLU 16 1HB GLU 16 -10.553 -4.591 0.731 87 HB3 GLU 16 2HB GLU 16 -8.896 -4.035 0.925 88 HG2 GLU 16 1HG GLU 16 -11.090 -2.312 1.944 89 HG3 GLU 16 2HG GLU 16 -10.678 -3.773 2.841 90 H THR 17 H THR 17 -8.726 -1.963 -2.340 91 HA THR 17 HA THR 17 -8.339 -4.573 -3.580 92 HB THR 17 HB THR 17 -9.083 -3.816 -5.785 93 HG1 THR 17 1HG THR 17 -10.561 -1.697 -5.120 94 HG21 THR 17 1HG2 THR 17 -11.076 -3.665 -3.537 95 HG22 THR 17 2HG2 THR 17 -10.749 -5.012 -4.627 96 HG23 THR 17 3HG2 THR 17 -11.565 -3.569 -5.227 97 H PHE 18 H PHE 18 -6.230 -4.708 -3.935 98 HA PHE 18 HA PHE 18 -4.606 -2.333 -4.203 99 HB2 PHE 18 1HB PHE 18 -3.670 -5.188 -4.470 100 HB3 PHE 18 2HB PHE 18 -2.725 -3.775 -4.011 101 HD1 PHE 18 1HD PHE 18 -3.615 -2.543 -1.841 102 HD2 PHE 18 2HD PHE 18 -4.343 -6.622 -2.814 103 HE1 PHE 18 1HE PHE 18 -4.038 -3.030 0.533 104 HE2 PHE 18 2HE PHE 18 -4.768 -7.116 -0.442 105 HZ PHE 18 HZ PHE 18 -4.617 -5.319 1.235 106 H GLU 19 H GLU 19 -2.825 -2.400 -5.930 107 HA GLU 19 HA GLU 19 -4.085 -2.316 -8.476 108 HB2 GLU 19 1HB GLU 19 -1.159 -2.138 -7.738 109 HB3 GLU 19 2HB GLU 19 -1.822 -1.771 -9.324 110 HG2 GLU 19 1HG GLU 19 -2.717 -0.344 -6.842 111 HG3 GLU 19 2HG GLU 19 -1.333 0.187 -7.795 112 H SER 20 H SER 20 -4.210 -3.800 -10.041 113 HA SER 20 HA SER 20 -4.280 -5.964 -10.845 114 HB2 SER 20 1HB SER 20 -2.340 -4.876 -11.953 115 HB3 SER 20 2HB SER 20 -1.289 -5.520 -10.692 116 HG SER 20 HG SER 20 -1.921 -6.706 -12.901 117 H ASP 21 H ASP 21 -4.325 -5.852 -7.941 118 HA ASP 21 HA ASP 21 -4.239 -7.271 -6.165 119 HB2 ASP 21 1HB ASP 21 -3.456 -9.418 -8.140 120 HB3 ASP 21 2HB ASP 21 -4.240 -9.632 -6.578 121 H LEU 22 H LEU 22 -2.084 -5.752 -6.279 122 HA LEU 22 HA LEU 22 0.434 -6.666 -6.634 123 HB2 LEU 22 1HB LEU 22 -0.759 -4.950 -4.500 124 HB3 LEU 22 2HB LEU 22 0.947 -5.386 -4.416 125 HG LEU 22 HG LEU 22 -0.296 -4.000 -6.786 126 HD11 LEU 22 1HD1 LEU 22 0.882 -2.898 -4.265 127 HD12 LEU 22 2HD1 LEU 22 -0.583 -2.413 -5.119 128 HD13 LEU 22 3HD1 LEU 22 1.000 -2.008 -5.784 129 HD21 LEU 22 1HD2 LEU 22 1.824 -5.259 -7.127 130 HD22 LEU 22 2HD2 LEU 22 2.582 -4.225 -5.915 131 HD23 LEU 22 3HD2 LEU 22 1.968 -3.525 -7.414 132 H ASP 23 H ASP 23 2.034 -7.648 -5.262 133 HA ASP 23 HA ASP 23 0.902 -9.822 -3.671 134 HB2 ASP 23 1HB ASP 23 2.750 -9.973 -5.578 135 HB3 ASP 23 2HB ASP 23 3.826 -9.629 -4.225 136 H GLU 24 H GLU 24 0.722 -9.528 -1.557 137 HA GLU 24 HA GLU 24 2.826 -7.998 -0.171 138 HB2 GLU 24 1HB GLU 24 0.381 -7.028 -0.389 139 HB3 GLU 24 2HB GLU 24 0.053 -8.137 0.935 140 HG2 GLU 24 1HG GLU 24 1.862 -7.071 2.231 141 HG3 GLU 24 2HG GLU 24 2.080 -5.914 0.919 142 H THR 25 H THR 25 2.768 -10.833 -0.635 143 HA THR 25 HA THR 25 2.256 -11.875 2.070 144 HB THR 25 HB THR 25 1.104 -13.018 0.153 145 HG1 THR 25 1HG THR 25 1.983 -15.177 0.869 146 HG21 THR 25 1HG2 THR 25 2.596 -14.629 -1.130 147 HG22 THR 25 2HG2 THR 25 3.954 -13.645 -0.585 148 HG23 THR 25 3HG2 THR 25 2.695 -12.931 -1.593 149 H ARG 26 H ARG 26 4.714 -10.904 -0.015 150 HA ARG 26 HA ARG 26 6.714 -12.185 1.702 151 HB2 ARG 26 1HB ARG 26 8.061 -12.902 -0.116 152 HB3 ARG 26 2HB ARG 26 6.432 -13.465 -0.461 153 HG2 ARG 26 1HG ARG 26 6.168 -11.385 -1.886 154 HG3 ARG 26 2HG ARG 26 7.913 -11.180 -1.720 155 HD2 ARG 26 1HD ARG 26 8.252 -13.418 -2.672 156 HD3 ARG 26 2HD ARG 26 6.507 -13.592 -2.862 157 HE ARG 26 HE ARG 26 7.678 -11.290 -4.170 158 HH11 ARG 26 2HH1 ARG 26 6.678 -14.613 -4.449 159 HH12 ARG 26 1HH1 ARG 26 6.539 -14.562 -6.176 160 HH21 ARG 26 2HH2 ARG 26 7.498 -11.210 -6.442 161 HH22 ARG 26 1HH2 ARG 26 7.006 -12.626 -7.308 162 H VAL 27 H VAL 27 8.768 -11.096 1.735 163 HA VAL 27 HA VAL 27 8.478 -8.237 1.553 164 HB VAL 27 HB VAL 27 10.640 -8.090 2.588 165 HG11 VAL 27 1HG1 VAL 27 8.961 -10.320 3.722 166 HG12 VAL 27 2HG1 VAL 27 10.291 -9.549 4.590 167 HG13 VAL 27 3HG1 VAL 27 8.879 -8.603 4.117 168 HG21 VAL 27 1HG2 VAL 27 11.592 -10.591 3.093 169 HG22 VAL 27 2HG2 VAL 27 10.966 -10.775 1.455 170 HG23 VAL 27 3HG2 VAL 27 12.171 -9.535 1.804 171 HA PRO 28 HA PRO 28 10.240 -7.640 -2.436 172 HB2 PRO 28 1HB PRO 28 11.139 -5.096 -2.138 173 HB3 PRO 28 2HB PRO 28 9.426 -5.495 -2.310 174 HG2 PRO 28 1HG PRO 28 10.994 -4.906 0.171 175 HG3 PRO 28 2HG PRO 28 9.374 -4.349 -0.287 176 HD2 PRO 28 1HD PRO 28 9.777 -6.394 1.441 177 HD3 PRO 28 2HD PRO 28 8.377 -6.326 0.352 178 H GLU 29 H GLU 29 11.996 -9.008 -2.581 179 HA GLU 29 HA GLU 29 14.347 -8.957 -1.150 180 HB2 GLU 29 1HB GLU 29 14.084 -9.626 -4.086 181 HB3 GLU 29 2HB GLU 29 15.371 -10.152 -3.010 182 HG2 GLU 29 1HG GLU 29 12.578 -10.829 -2.277 183 HG3 GLU 29 2HG GLU 29 13.327 -11.705 -3.611 184 H VAL 30 H VAL 30 16.567 -8.470 -2.257 185 HA VAL 30 HA VAL 30 17.112 -5.825 -2.198 186 HB VAL 30 HB VAL 30 18.912 -7.404 -2.322 187 HG11 VAL 30 1HG1 VAL 30 18.843 -7.941 -5.181 188 HG12 VAL 30 2HG1 VAL 30 19.083 -9.046 -3.826 189 HG13 VAL 30 3HG1 VAL 30 17.450 -8.602 -4.325 190 HG21 VAL 30 1HG2 VAL 30 18.822 -5.385 -4.536 191 HG22 VAL 30 2HG2 VAL 30 19.672 -5.302 -2.993 192 HG23 VAL 30 3HG2 VAL 30 20.254 -6.379 -4.263 193 HA PRO 31 HA PRO 31 15.142 -3.966 -5.683 194 HB2 PRO 31 1HB PRO 31 16.519 -1.626 -5.692 195 HB3 PRO 31 2HB PRO 31 15.267 -2.000 -4.502 196 HG2 PRO 31 1HG PRO 31 18.243 -2.191 -4.244 197 HG3 PRO 31 2HG PRO 31 17.058 -1.564 -3.083 198 HD2 PRO 31 1HD PRO 31 18.128 -4.043 -2.877 199 HD3 PRO 31 2HD PRO 31 16.474 -3.670 -2.350 200 H SER 32 H SER 32 15.777 -2.840 -7.756 201 HA SER 32 HA SER 32 17.349 -4.435 -9.346 202 HB2 SER 32 1HB SER 32 15.901 -2.975 -10.479 203 HB3 SER 32 2HB SER 32 16.502 -1.560 -9.615 204 HG SER 32 HG SER 32 17.440 -2.751 -11.893 205 H SER 33 H SER 33 18.293 -1.397 -7.762 206 HA SER 33 HA SER 33 20.942 -2.230 -7.290 207 HB2 SER 33 1HB SER 33 22.124 -0.715 -8.861 208 HB3 SER 33 2HB SER 33 21.230 -1.984 -9.698 209 HG SER 33 HG SER 33 20.498 -0.306 -10.769 210 H LEU 34 H LEU 34 22.355 -0.019 -7.009 211 HA LEU 34 HA LEU 34 20.768 2.146 -5.934 212 HB2 LEU 34 1HB LEU 34 20.650 1.000 -3.957 213 HB3 LEU 34 2HB LEU 34 22.176 0.161 -4.228 214 HG LEU 34 HG LEU 34 23.283 2.434 -3.791 215 HD11 LEU 34 1HD1 LEU 34 21.721 4.073 -3.746 216 HD12 LEU 34 2HD1 LEU 34 21.665 3.631 -2.040 217 HD13 LEU 34 3HD1 LEU 34 20.451 3.003 -3.154 218 HD21 LEU 34 1HD2 LEU 34 23.815 1.332 -1.941 219 HD22 LEU 34 2HD2 LEU 34 22.345 0.364 -2.051 220 HD23 LEU 34 3HD2 LEU 34 22.322 1.908 -1.199 221 H HIS 35 H HIS 35 21.758 3.871 -6.728 222 HA HIS 35 HA HIS 35 24.689 3.849 -6.958 223 HB2 HIS 35 1HB HIS 35 23.737 4.250 -9.088 224 HB3 HIS 35 2HB HIS 35 22.550 5.375 -8.434 225 HD1 HIS 35 1HD HIS 35 23.095 7.598 -9.361 226 HD2 HIS 35 2HD HIS 35 26.507 5.531 -8.200 227 HE1 HIS 35 1HE HIS 35 25.005 9.192 -9.730 228 HE2 HIS 35 2HE HIS 35 27.067 7.890 -9.101 229 H VAL 36 H VAL 36 25.916 5.595 -6.219 230 HA VAL 36 HA VAL 36 24.527 7.597 -4.582 231 HB VAL 36 HB VAL 36 26.258 7.356 -2.815 232 HG11 VAL 36 1HG1 VAL 36 25.139 4.659 -2.829 233 HG12 VAL 36 2HG1 VAL 36 24.895 5.984 -1.689 234 HG13 VAL 36 3HG1 VAL 36 23.955 5.917 -3.180 235 HG21 VAL 36 1HG2 VAL 36 28.006 6.297 -4.123 236 HG22 VAL 36 2HG2 VAL 36 27.587 5.286 -2.740 237 HG23 VAL 36 3HG2 VAL 36 26.999 4.866 -4.349 238 H ARG 37 H ARG 37 25.429 9.602 -4.601 239 HA ARG 37 HA ARG 37 27.893 9.922 -6.186 240 HB2 ARG 37 1HB ARG 37 25.313 11.388 -6.194 241 HB3 ARG 37 2HB ARG 37 26.770 12.352 -6.396 242 HG2 ARG 37 1HG ARG 37 27.323 10.497 -8.191 243 HG3 ARG 37 2HG ARG 37 25.567 10.325 -8.196 244 HD2 ARG 37 1HD ARG 37 25.334 12.715 -8.660 245 HD3 ARG 37 2HD ARG 37 27.089 12.891 -8.643 246 HE ARG 37 HE ARG 37 25.467 11.762 -10.756 247 HH11 ARG 37 2HH1 ARG 37 28.651 12.100 -9.389 248 HH12 ARG 37 1HH1 ARG 37 29.468 11.741 -10.874 249 HH21 ARG 37 2HH2 ARG 37 26.531 11.289 -12.717 250 HH22 ARG 37 1HH2 ARG 37 28.262 11.281 -12.767 251 HA PRO 38 HA PRO 38 29.332 11.441 -2.203 252 HB2 PRO 38 1HB PRO 38 31.947 11.527 -2.927 253 HB3 PRO 38 2HB PRO 38 31.130 10.033 -2.452 254 HG2 PRO 38 1HG PRO 38 31.732 11.072 -5.194 255 HG3 PRO 38 2HG PRO 38 31.893 9.423 -4.562 256 HD2 PRO 38 1HD PRO 38 29.792 10.201 -6.082 257 HD3 PRO 38 2HD PRO 38 29.646 8.974 -4.808 258 H LEU 39 H LEU 39 29.150 13.521 -1.681 259 HA LEU 39 HA LEU 39 30.207 15.541 -3.549 260 HB2 LEU 39 1HB LEU 39 27.733 15.503 -1.869 261 HB3 LEU 39 2HB LEU 39 28.475 17.037 -2.320 262 HG LEU 39 HG LEU 39 28.288 16.081 -4.747 263 HD11 LEU 39 1HD1 LEU 39 25.990 14.799 -4.738 264 HD12 LEU 39 2HD1 LEU 39 26.539 14.287 -3.143 265 HD13 LEU 39 3HD1 LEU 39 27.519 13.937 -4.567 266 HD21 LEU 39 1HD2 LEU 39 25.881 17.056 -3.210 267 HD22 LEU 39 2HD2 LEU 39 26.091 17.119 -4.961 268 HD23 LEU 39 3HD2 LEU 39 27.141 18.072 -3.912 269 H VAL 40 H VAL 40 31.093 17.464 -2.613 270 HA VAL 40 HA VAL 40 33.048 17.312 -0.850 271 HB VAL 40 HB VAL 40 31.073 19.599 -0.847 272 HG11 VAL 40 1HG1 VAL 40 32.928 19.271 1.025 273 HG12 VAL 40 2HG1 VAL 40 33.949 19.981 -0.227 274 HG13 VAL 40 3HG1 VAL 40 32.535 20.857 0.361 275 HG21 VAL 40 1HG2 VAL 40 31.779 19.924 -2.935 276 HG22 VAL 40 2HG2 VAL 40 33.356 20.325 -2.254 277 HG23 VAL 40 3HG2 VAL 40 33.017 18.677 -2.783 278 H THR 41 H THR 41 30.006 18.628 0.438 279 HA THR 41 HA THR 41 30.528 17.142 2.931 280 HB THR 41 HB THR 41 29.354 18.940 4.137 281 HG1 THR 41 1HG THR 41 28.228 19.600 2.058 282 HG21 THR 41 1HG2 THR 41 31.310 19.982 4.418 283 HG22 THR 41 2HG2 THR 41 31.269 20.636 2.780 284 HG23 THR 41 3HG2 THR 41 31.924 19.025 3.071 285 H SER 42 H SER 42 28.927 16.387 0.526 286 HA SER 42 HA SER 42 26.528 15.601 1.973 287 HB2 SER 42 1HB SER 42 26.156 17.801 0.623 288 HB3 SER 42 2HB SER 42 26.161 16.738 -0.784 289 HG SER 42 HG SER 42 24.057 17.145 0.206 290 H ILE 43 H ILE 43 25.122 14.224 0.296 291 HA ILE 43 HA ILE 43 26.690 12.737 -1.607 292 HB ILE 43 HB ILE 43 25.733 11.351 0.900 293 HG12 ILE 43 1HG1 ILE 43 28.515 11.850 -0.180 294 HG13 ILE 43 2HG1 ILE 43 27.812 12.574 1.261 295 HG21 ILE 43 1HG2 ILE 43 26.152 9.327 -0.064 296 HG22 ILE 43 2HG2 ILE 43 25.640 10.226 -1.491 297 HG23 ILE 43 3HG2 ILE 43 27.357 9.980 -1.174 298 HD11 ILE 43 1HD1 ILE 43 29.219 10.878 2.038 299 HD12 ILE 43 2HD1 ILE 43 27.592 10.205 2.148 300 HD13 ILE 43 3HD1 ILE 43 28.654 9.733 0.821 301 H VAL 44 H VAL 44 25.249 12.797 -3.214 302 HA VAL 44 HA VAL 44 22.416 12.630 -2.757 303 HB VAL 44 HB VAL 44 24.027 12.646 -5.311 304 HG11 VAL 44 1HG1 VAL 44 22.195 11.849 -6.303 305 HG12 VAL 44 2HG1 VAL 44 21.227 12.033 -4.839 306 HG13 VAL 44 3HG1 VAL 44 21.443 13.400 -5.932 307 HG21 VAL 44 1HG2 VAL 44 23.684 14.692 -3.625 308 HG22 VAL 44 2HG2 VAL 44 23.760 14.898 -5.374 309 HG23 VAL 44 3HG2 VAL 44 22.197 14.846 -4.559 310 H VAL 45 H VAL 45 21.981 10.630 -1.854 311 HA VAL 45 HA VAL 45 22.882 8.202 -3.139 312 HB VAL 45 HB VAL 45 20.933 8.573 -0.860 313 HG11 VAL 45 1HG1 VAL 45 22.362 6.091 -1.809 314 HG12 VAL 45 2HG1 VAL 45 21.285 6.208 -0.416 315 HG13 VAL 45 3HG1 VAL 45 20.650 6.442 -2.045 316 HG21 VAL 45 1HG2 VAL 45 23.899 8.299 -0.994 317 HG22 VAL 45 2HG2 VAL 45 22.908 9.327 0.043 318 HG23 VAL 45 3HG2 VAL 45 23.032 7.599 0.374 319 H SER 46 H SER 46 21.968 7.791 -5.066 320 HA SER 46 HA SER 46 19.046 8.049 -5.305 321 HB2 SER 46 1HB SER 46 19.343 8.220 -7.685 322 HB3 SER 46 2HB SER 46 20.488 9.327 -6.928 323 HG SER 46 HG SER 46 21.943 8.294 -8.023 324 H TRP 47 H TRP 47 17.866 6.262 -5.353 325 HA TRP 47 HA TRP 47 19.180 3.731 -6.099 326 HB2 TRP 47 1HB TRP 47 17.719 2.585 -4.495 327 HB3 TRP 47 2HB TRP 47 18.701 3.807 -3.693 328 HD1 TRP 47 HD TRP 47 15.094 2.941 -4.532 329 HE1 TRP 47 1HE TRP 47 13.532 4.535 -3.251 330 HE3 TRP 47 3HE TRP 47 18.580 6.211 -2.719 331 HZ2 TRP 47 2HZ TRP 47 13.748 6.870 -1.679 332 HZ3 TRP 47 3HZ TRP 47 17.820 8.098 -1.335 333 HH2 TRP 47 HH TRP 47 15.453 8.419 -0.828 334 H THR 48 H THR 48 17.386 2.006 -6.579 335 HA THR 48 HA THR 48 15.243 3.233 -8.175 336 HB THR 48 HB THR 48 15.684 1.268 -9.823 337 HG1 THR 48 1HG THR 48 18.326 1.376 -9.563 338 HG21 THR 48 1HG2 THR 48 17.235 3.820 -9.587 339 HG22 THR 48 2HG2 THR 48 15.942 3.398 -10.711 340 HG23 THR 48 3HG2 THR 48 17.552 2.708 -10.918 341 HA PRO 49 HA PRO 49 12.566 0.230 -6.420 342 HB2 PRO 49 1HB PRO 49 10.846 -0.237 -8.468 343 HB3 PRO 49 2HB PRO 49 10.848 1.267 -7.539 344 HG2 PRO 49 1HG PRO 49 12.067 0.690 -10.212 345 HG3 PRO 49 2HG PRO 49 11.153 2.114 -9.683 346 HD2 PRO 49 1HD PRO 49 13.856 2.092 -9.835 347 HD3 PRO 49 2HD PRO 49 12.976 3.047 -8.625 348 HA PRO 50 HA PRO 50 13.814 -3.854 -7.480 349 HB2 PRO 50 1HB PRO 50 11.644 -5.289 -6.705 350 HB3 PRO 50 2HB PRO 50 12.765 -4.548 -5.557 351 HG2 PRO 50 1HG PRO 50 10.099 -3.568 -6.501 352 HG3 PRO 50 2HG PRO 50 10.771 -3.575 -4.861 353 HD2 PRO 50 1HD PRO 50 10.744 -1.357 -6.413 354 HD3 PRO 50 2HD PRO 50 12.029 -1.680 -5.232 355 H GLU 51 H GLU 51 13.966 -4.727 -9.441 356 HA GLU 51 HA GLU 51 12.580 -4.241 -11.675 357 HB2 GLU 51 1HB GLU 51 13.993 -6.684 -10.728 358 HB3 GLU 51 2HB GLU 51 13.033 -6.817 -12.195 359 HG2 GLU 51 1HG GLU 51 14.340 -4.688 -12.917 360 HG3 GLU 51 2HG GLU 51 15.482 -5.198 -11.675 361 H ASN 52 H ASN 52 11.577 -6.473 -9.146 362 HA ASN 52 HA ASN 52 9.200 -7.247 -10.632 363 HB2 ASN 52 1HB ASN 52 10.515 -8.884 -9.244 364 HB3 ASN 52 2HB ASN 52 9.971 -8.015 -7.812 365 HD21 ASN 52 1HD2 ASN 52 9.449 -10.709 -9.408 366 HD22 ASN 52 2HD2 ASN 52 7.751 -10.923 -9.171 367 H GLN 53 H GLN 53 7.916 -5.437 -10.744 368 HA GLN 53 HA GLN 53 7.392 -3.730 -8.538 369 HB2 GLN 53 1HB GLN 53 6.120 -4.120 -11.230 370 HB3 GLN 53 2HB GLN 53 5.392 -3.047 -10.042 371 HG2 GLN 53 1HG GLN 53 8.034 -2.799 -11.424 372 HG3 GLN 53 2HG GLN 53 6.695 -1.654 -11.377 373 HE21 GLN 53 1HE2 GLN 53 6.116 -1.252 -8.867 374 HE22 GLN 53 2HE2 GLN 53 7.472 -0.690 -7.956 375 H ASN 54 H ASN 54 5.696 -6.493 -9.940 376 HA ASN 54 HA ASN 54 3.271 -6.511 -8.814 377 HB2 ASN 54 1HB ASN 54 5.211 -8.833 -8.827 378 HB3 ASN 54 2HB ASN 54 3.481 -8.984 -8.534 379 HD21 ASN 54 1HD2 ASN 54 2.044 -8.235 -10.250 380 HD22 ASN 54 2HD2 ASN 54 2.549 -8.417 -11.892 381 H ILE 55 H ILE 55 6.279 -7.147 -7.078 382 HA ILE 55 HA ILE 55 5.054 -7.799 -4.599 383 HB ILE 55 HB ILE 55 7.845 -6.770 -5.127 384 HG12 ILE 55 1HG1 ILE 55 6.944 -9.620 -4.690 385 HG13 ILE 55 2HG1 ILE 55 7.156 -8.913 -6.288 386 HG21 ILE 55 1HG2 ILE 55 7.450 -6.452 -2.838 387 HG22 ILE 55 2HG2 ILE 55 6.542 -7.957 -2.697 388 HG23 ILE 55 3HG2 ILE 55 8.289 -8.000 -2.936 389 HD11 ILE 55 1HD1 ILE 55 9.398 -9.019 -6.178 390 HD12 ILE 55 2HD1 ILE 55 9.441 -8.652 -4.453 391 HD13 ILE 55 3HD1 ILE 55 9.059 -10.285 -4.999 392 H VAL 56 H VAL 56 4.541 -6.555 -2.861 393 HA VAL 56 HA VAL 56 4.069 -3.770 -3.312 394 HB VAL 56 HB VAL 56 3.761 -5.449 -0.820 395 HG11 VAL 56 1HG1 VAL 56 3.230 -2.556 -1.351 396 HG12 VAL 56 2HG1 VAL 56 2.212 -3.447 -0.218 397 HG13 VAL 56 3HG1 VAL 56 3.949 -3.323 0.065 398 HG21 VAL 56 1HG2 VAL 56 1.419 -5.463 -1.334 399 HG22 VAL 56 2HG2 VAL 56 1.660 -4.365 -2.693 400 HG23 VAL 56 3HG2 VAL 56 2.300 -6.007 -2.761 401 H VAL 57 H VAL 57 5.169 -2.025 -2.594 402 HA VAL 57 HA VAL 57 7.461 -2.452 -0.805 403 HB VAL 57 HB VAL 57 7.548 -0.815 -3.343 404 HG11 VAL 57 1HG1 VAL 57 9.923 -0.493 -2.782 405 HG12 VAL 57 2HG1 VAL 57 8.849 0.219 -1.576 406 HG13 VAL 57 3HG1 VAL 57 9.657 -1.314 -1.245 407 HG21 VAL 57 1HG2 VAL 57 8.860 -2.458 -4.310 408 HG22 VAL 57 2HG2 VAL 57 9.285 -3.179 -2.758 409 HG23 VAL 57 3HG2 VAL 57 7.668 -3.408 -3.423 410 H ARG 58 H ARG 58 7.152 -1.233 0.930 411 HA ARG 58 HA ARG 58 5.449 1.101 0.833 412 HB2 ARG 58 1HB ARG 58 6.973 -0.187 3.102 413 HB3 ARG 58 2HB ARG 58 5.908 1.200 3.286 414 HG2 ARG 58 1HG ARG 58 4.964 -1.407 2.137 415 HG3 ARG 58 2HG ARG 58 4.951 -1.070 3.869 416 HD2 ARG 58 1HD ARG 58 3.616 1.000 3.339 417 HD3 ARG 58 2HD ARG 58 3.470 0.390 1.692 418 HE ARG 58 HE ARG 58 2.624 -1.455 3.745 419 HH11 ARG 58 2HH1 ARG 58 1.682 1.101 1.578 420 HH12 ARG 58 1HH1 ARG 58 0.006 0.663 1.580 421 HH21 ARG 58 2HH2 ARG 58 0.420 -2.042 3.757 422 HH22 ARG 58 1HH2 ARG 58 -0.711 -1.125 2.821 423 H GLY 59 H GLY 59 8.858 0.406 1.565 424 HA2 GLY 59 1HA GLY 59 9.732 2.878 0.455 425 HA3 GLY 59 2HA GLY 59 9.722 2.953 2.211 426 H TYR 60 H TYR 60 12.071 3.335 1.743 427 HA TYR 60 HA TYR 60 13.472 0.764 1.859 428 HB2 TYR 60 1HB TYR 60 14.626 3.059 0.291 429 HB3 TYR 60 2HB TYR 60 15.108 1.367 0.275 430 HD1 TYR 60 2HD TYR 60 12.579 3.779 -0.885 431 HD2 TYR 60 1HD TYR 60 13.995 -0.226 -1.127 432 HE1 TYR 60 2HE TYR 60 11.144 3.396 -2.846 433 HE2 TYR 60 1HE TYR 60 12.565 -0.620 -3.089 434 HH TYR 60 HH TYR 60 11.475 1.296 -4.985 435 H ALA 61 H ALA 61 15.291 0.734 3.154 436 HA ALA 61 HA ALA 61 15.618 3.089 4.878 437 HB1 ALA 61 1HB ALA 61 15.121 0.572 5.633 438 HB2 ALA 61 2HB ALA 61 16.885 0.524 5.622 439 HB3 ALA 61 3HB ALA 61 16.042 1.708 6.620 440 H ILE 62 H ILE 62 17.306 4.351 4.496 441 HA ILE 62 HA ILE 62 19.595 3.300 3.017 442 HB ILE 62 HB ILE 62 18.929 6.141 3.797 443 HG12 ILE 62 1HG1 ILE 62 18.872 4.964 1.026 444 HG13 ILE 62 2HG1 ILE 62 17.462 4.898 2.079 445 HG21 ILE 62 1HG2 ILE 62 21.389 5.042 3.062 446 HG22 ILE 62 2HG2 ILE 62 20.783 5.849 1.617 447 HG23 ILE 62 3HG2 ILE 62 20.956 6.750 3.122 448 HD11 ILE 62 1HD1 ILE 62 18.214 7.539 2.202 449 HD12 ILE 62 2HD1 ILE 62 18.521 7.099 0.521 450 HD13 ILE 62 3HD1 ILE 62 16.917 6.866 1.215 451 H GLY 63 H GLY 63 21.470 2.808 3.954 452 HA2 GLY 63 1HA GLY 63 21.931 3.788 6.705 453 HA3 GLY 63 2HA GLY 63 22.418 2.193 6.150 454 H TYR 64 H TYR 64 23.555 5.168 6.881 455 HA TYR 64 HA TYR 64 25.896 4.811 5.132 456 HB2 TYR 64 1HB TYR 64 26.125 7.290 5.069 457 HB3 TYR 64 2HB TYR 64 24.666 6.708 4.276 458 HD1 TYR 64 1HD TYR 64 22.462 7.014 5.362 459 HD2 TYR 64 2HD TYR 64 26.011 8.690 7.003 460 HE1 TYR 64 1HE TYR 64 21.101 8.516 6.755 461 HE2 TYR 64 2HE TYR 64 24.660 10.196 8.402 462 HH TYR 64 HH TYR 64 22.457 10.390 9.303 463 H GLY 65 H GLY 65 27.911 5.429 6.013 464 HA2 GLY 65 1HA GLY 65 28.490 6.662 8.376 465 HA3 GLY 65 2HA GLY 65 28.088 5.019 8.855 466 H ILE 66 H ILE 66 30.639 6.783 8.630 467 HA ILE 66 HA ILE 66 32.392 5.646 6.785 468 HB ILE 66 HB ILE 66 33.040 6.723 9.532 469 HG12 ILE 66 1HG1 ILE 66 33.324 8.166 6.904 470 HG13 ILE 66 2HG1 ILE 66 31.820 8.211 7.818 471 HG21 ILE 66 1HG2 ILE 66 35.243 6.568 9.073 472 HG22 ILE 66 2HG2 ILE 66 34.713 5.265 8.010 473 HG23 ILE 66 3HG2 ILE 66 35.016 6.872 7.351 474 HD11 ILE 66 1HD1 ILE 66 33.122 10.167 8.303 475 HD12 ILE 66 2HD1 ILE 66 33.062 9.139 9.736 476 HD13 ILE 66 3HD1 ILE 66 34.516 9.178 8.738 477 H GLY 67 H GLY 67 33.106 3.635 6.577 478 HA2 GLY 67 1HA GLY 67 34.184 1.673 7.273 479 HA3 GLY 67 2HA GLY 67 33.823 2.093 8.941 480 H SER 68 H SER 68 31.177 2.322 9.077 481 HA SER 68 HA SER 68 30.007 -0.063 7.847 482 HB2 SER 68 1HB SER 68 29.930 0.497 10.822 483 HB3 SER 68 2HB SER 68 29.109 -0.829 10.000 484 HG SER 68 HG SER 68 30.973 -1.848 9.736 485 HA PRO 69 HA PRO 69 26.588 2.663 7.291 486 HB2 PRO 69 1HB PRO 69 24.687 0.805 6.741 487 HB3 PRO 69 2HB PRO 69 25.948 1.258 5.589 488 HG2 PRO 69 1HG PRO 69 25.814 -1.109 7.418 489 HG3 PRO 69 2HG PRO 69 26.324 -1.033 5.721 490 HD2 PRO 69 1HD PRO 69 28.091 -1.119 7.770 491 HD3 PRO 69 2HD PRO 69 28.426 -0.255 6.256 492 H HIS 70 H HIS 70 27.028 0.691 9.914 493 HA HIS 70 HA HIS 70 24.383 0.934 11.058 494 HB2 HIS 70 1HB HIS 70 26.933 0.038 12.410 495 HB3 HIS 70 2HB HIS 70 25.285 -0.245 12.961 496 HD1 HIS 70 1HD HIS 70 24.635 -2.588 12.585 497 HD2 HIS 70 2HD HIS 70 27.134 -1.191 9.574 498 HE1 HIS 70 1HE HIS 70 24.911 -4.514 10.992 499 HE2 HIS 70 2HE HIS 70 26.495 -3.673 9.224 500 H ALA 71 H ALA 71 25.390 3.425 10.380 501 HA ALA 71 HA ALA 71 26.121 4.615 12.971 502 HB1 ALA 71 1HB ALA 71 26.290 6.155 10.428 503 HB2 ALA 71 2HB ALA 71 27.277 6.270 11.885 504 HB3 ALA 71 3HB ALA 71 27.510 4.927 10.765 505 H GLN 72 H GLN 72 24.112 5.249 10.095 506 HA GLN 72 HA GLN 72 21.983 6.229 11.811 507 HB2 GLN 72 1HB GLN 72 23.472 7.948 9.852 508 HB3 GLN 72 2HB GLN 72 21.780 8.266 10.209 509 HG2 GLN 72 1HG GLN 72 22.237 8.737 12.468 510 HG3 GLN 72 2HG GLN 72 23.862 8.061 12.359 511 HE21 GLN 72 1HE2 GLN 72 25.276 9.178 10.698 512 HE22 GLN 72 2HE2 GLN 72 25.210 10.904 10.670 513 H THR 73 H THR 73 19.943 6.195 10.841 514 HA THR 73 HA THR 73 19.824 5.067 8.125 515 HB THR 73 HB THR 73 18.140 4.148 10.464 516 HG1 THR 73 1HG THR 73 19.343 2.244 10.289 517 HG21 THR 73 1HG2 THR 73 17.814 3.925 7.596 518 HG22 THR 73 2HG2 THR 73 16.704 3.475 8.891 519 HG23 THR 73 3HG2 THR 73 17.941 2.339 8.355 520 H ILE 74 H ILE 74 18.359 5.981 6.810 521 HA ILE 74 HA ILE 74 16.400 7.826 8.015 522 HB ILE 74 HB ILE 74 17.800 8.128 5.355 523 HG12 ILE 74 1HG1 ILE 74 18.034 9.822 7.850 524 HG13 ILE 74 2HG1 ILE 74 19.200 8.589 7.381 525 HG21 ILE 74 1HG2 ILE 74 16.642 10.513 5.822 526 HG22 ILE 74 2HG2 ILE 74 15.892 9.229 4.874 527 HG23 ILE 74 3HG2 ILE 74 15.459 9.440 6.570 528 HD11 ILE 74 1HD1 ILE 74 19.078 10.081 5.123 529 HD12 ILE 74 2HD1 ILE 74 18.814 11.304 6.367 530 HD13 ILE 74 3HD1 ILE 74 20.262 10.298 6.413 531 H LYS 75 H LYS 75 14.453 6.926 7.871 532 HA LYS 75 HA LYS 75 13.793 5.178 5.638 533 HB2 LYS 75 1HB LYS 75 12.536 5.807 8.281 534 HB3 LYS 75 2HB LYS 75 11.550 5.101 7.006 535 HG2 LYS 75 1HG LYS 75 13.460 3.343 6.869 536 HG3 LYS 75 2HG LYS 75 13.856 3.923 8.489 537 HD2 LYS 75 1HD LYS 75 11.535 3.454 9.189 538 HD3 LYS 75 2HD LYS 75 11.202 2.806 7.581 539 HE2 LYS 75 1HE LYS 75 13.038 1.154 7.955 540 HE3 LYS 75 2HE LYS 75 13.158 1.740 9.613 541 HZ1 LYS 75 1HZ LYS 75 10.778 1.141 9.877 542 HZ2 LYS 75 2HZ LYS 75 11.788 -0.187 9.601 543 HZ3 LYS 75 3HZ LYS 75 10.823 0.416 8.349 544 H VAL 76 H VAL 76 12.699 5.815 3.903 545 HA VAL 76 HA VAL 76 10.959 8.172 4.091 546 HB VAL 76 HB VAL 76 11.772 8.925 1.853 547 HG11 VAL 76 1HG1 VAL 76 12.529 10.119 3.770 548 HG12 VAL 76 2HG1 VAL 76 13.719 8.873 4.151 549 HG13 VAL 76 3HG1 VAL 76 13.924 9.880 2.718 550 HG21 VAL 76 1HG2 VAL 76 13.232 7.745 0.661 551 HG22 VAL 76 2HG2 VAL 76 14.363 7.674 2.012 552 HG23 VAL 76 3HG2 VAL 76 13.089 6.463 1.864 553 H ASP 77 H ASP 77 9.328 8.290 2.451 554 HA ASP 77 HA ASP 77 8.096 5.837 1.884 555 HB2 ASP 77 1HB ASP 77 7.647 8.565 0.658 556 HB3 ASP 77 2HB ASP 77 6.583 7.182 0.423 557 H TYR 78 H TYR 78 7.480 5.070 -0.318 558 HA TYR 78 HA TYR 78 9.741 4.365 -1.797 559 HB2 TYR 78 1HB TYR 78 8.087 3.600 -3.529 560 HB3 TYR 78 2HB TYR 78 7.787 2.983 -1.908 561 HD1 TYR 78 2HD TYR 78 5.881 3.800 -0.600 562 HD2 TYR 78 1HD TYR 78 6.550 5.127 -4.587 563 HE1 TYR 78 2HE TYR 78 3.580 4.664 -0.693 564 HE2 TYR 78 1HE TYR 78 4.251 5.995 -4.691 565 HH TYR 78 HH TYR 78 1.965 5.316 -3.337 566 H LYS 79 H LYS 79 7.203 6.744 -2.547 567 HA LYS 79 HA LYS 79 7.795 7.664 -4.973 568 HB2 LYS 79 1HB LYS 79 7.203 9.208 -2.467 569 HB3 LYS 79 2HB LYS 79 7.463 10.049 -3.990 570 HG2 LYS 79 1HG LYS 79 5.436 7.855 -3.680 571 HG3 LYS 79 2HG LYS 79 5.068 9.552 -3.364 572 HD2 LYS 79 1HD LYS 79 5.993 9.991 -5.715 573 HD3 LYS 79 2HD LYS 79 5.846 8.248 -5.956 574 HE2 LYS 79 1HE LYS 79 3.595 10.075 -5.123 575 HE3 LYS 79 2HE LYS 79 3.882 9.516 -6.770 576 HZ1 LYS 79 1HZ LYS 79 2.194 8.221 -5.513 577 HZ2 LYS 79 2HZ LYS 79 3.422 7.693 -4.476 578 HZ3 LYS 79 3HZ LYS 79 3.467 7.285 -6.117 579 H GLN 80 H GLN 80 9.652 8.582 -2.080 580 HA GLN 80 HA GLN 80 11.481 10.298 -3.199 581 HB2 GLN 80 1HB GLN 80 11.760 8.285 -0.980 582 HB3 GLN 80 2HB GLN 80 13.090 9.343 -1.433 583 HG2 GLN 80 1HG GLN 80 10.446 10.052 -0.230 584 HG3 GLN 80 2HG GLN 80 12.069 10.444 0.336 585 HE21 GLN 80 1HE2 GLN 80 9.492 11.922 -0.628 586 HE22 GLN 80 2HE2 GLN 80 10.138 13.198 -1.596 587 H ARG 81 H ARG 81 12.780 10.082 -4.885 588 HA ARG 81 HA ARG 81 13.561 7.445 -5.812 589 HB2 ARG 81 1HB ARG 81 12.821 9.572 -7.208 590 HB3 ARG 81 2HB ARG 81 14.536 9.948 -7.109 591 HG2 ARG 81 1HG ARG 81 13.657 7.244 -8.016 592 HG3 ARG 81 2HG ARG 81 13.617 8.611 -9.131 593 HD2 ARG 81 1HD ARG 81 15.976 9.000 -8.805 594 HD3 ARG 81 2HD ARG 81 16.045 7.746 -7.567 595 HE ARG 81 HE ARG 81 16.176 6.175 -9.222 596 HH11 ARG 81 2HH1 ARG 81 15.040 9.169 -10.589 597 HH12 ARG 81 1HH1 ARG 81 15.125 8.606 -12.225 598 HH21 ARG 81 2HH2 ARG 81 16.293 5.422 -11.372 599 HH22 ARG 81 1HH2 ARG 81 15.837 6.474 -12.669 600 H TYR 82 H TYR 82 15.046 10.323 -4.436 601 HA TYR 82 HA TYR 82 17.411 8.754 -3.781 602 HB2 TYR 82 1HB TYR 82 18.980 10.232 -4.755 603 HB3 TYR 82 2HB TYR 82 17.777 9.944 -6.007 604 HD1 TYR 82 2HD TYR 82 16.177 11.708 -6.620 605 HD2 TYR 82 1HD TYR 82 19.259 12.408 -3.771 606 HE1 TYR 82 2HE TYR 82 15.831 14.132 -6.850 607 HE2 TYR 82 1HE TYR 82 18.921 14.834 -3.992 608 HH TYR 82 HH TYR 82 17.584 16.296 -6.366 609 H TYR 83 H TYR 83 18.924 10.087 -2.359 610 HA TYR 83 HA TYR 83 17.503 12.106 -0.788 611 HB2 TYR 83 1HB TYR 83 17.168 9.821 0.241 612 HB3 TYR 83 2HB TYR 83 18.904 9.773 0.524 613 HD1 TYR 83 2HD TYR 83 19.940 11.435 2.073 614 HD2 TYR 83 1HD TYR 83 15.722 11.060 1.661 615 HE1 TYR 83 2HE TYR 83 19.632 12.639 4.195 616 HE2 TYR 83 1HE TYR 83 15.402 12.265 3.782 617 HH TYR 83 HH TYR 83 16.443 13.583 5.326 618 H THR 84 H THR 84 18.772 13.763 -0.246 619 HA THR 84 HA THR 84 21.622 13.578 -0.851 620 HB THR 84 HB THR 84 19.932 15.999 -0.190 621 HG1 THR 84 1HG THR 84 20.555 14.655 -2.547 622 HG21 THR 84 1HG2 THR 84 22.184 16.486 0.414 623 HG22 THR 84 2HG2 THR 84 21.911 17.226 -1.163 624 HG23 THR 84 3HG2 THR 84 22.809 15.714 -1.042 625 H ILE 85 H ILE 85 22.633 12.634 0.856 626 HA ILE 85 HA ILE 85 21.992 13.292 3.577 627 HB ILE 85 HB ILE 85 24.385 11.785 2.519 628 HG12 ILE 85 1HG1 ILE 85 21.840 10.612 3.637 629 HG13 ILE 85 2HG1 ILE 85 22.082 10.873 1.914 630 HG21 ILE 85 1HG2 ILE 85 24.632 10.922 4.737 631 HG22 ILE 85 2HG2 ILE 85 24.558 12.680 4.839 632 HG23 ILE 85 3HG2 ILE 85 23.146 11.713 5.264 633 HD11 ILE 85 1HD1 ILE 85 23.882 9.326 1.856 634 HD12 ILE 85 2HD1 ILE 85 23.916 9.210 3.616 635 HD13 ILE 85 3HD1 ILE 85 22.547 8.559 2.715 636 H GLU 86 H GLU 86 22.401 15.377 4.104 637 HA GLU 86 HA GLU 86 24.981 16.551 3.391 638 HB2 GLU 86 1HB GLU 86 22.527 17.771 4.666 639 HB3 GLU 86 2HB GLU 86 23.998 18.653 4.284 640 HG2 GLU 86 1HG GLU 86 23.683 18.122 1.909 641 HG3 GLU 86 2HG GLU 86 22.184 17.286 2.310 642 H ASN 87 H ASN 87 25.831 18.087 5.230 643 HA ASN 87 HA ASN 87 26.813 18.301 7.273 644 HB2 ASN 87 1HB ASN 87 24.814 16.295 8.322 645 HB3 ASN 87 2HB ASN 87 25.675 17.537 9.228 646 HD21 ASN 87 1HD2 ASN 87 22.769 16.751 8.040 647 HD22 ASN 87 2HD2 ASN 87 22.092 18.323 7.809 648 H LEU 88 H LEU 88 28.059 16.654 5.537 649 HA LEU 88 HA LEU 88 28.945 14.397 7.211 650 HB2 LEU 88 1HB LEU 88 29.033 14.630 4.207 651 HB3 LEU 88 2HB LEU 88 29.601 13.257 5.155 652 HG LEU 88 HG LEU 88 26.730 14.135 5.233 653 HD11 LEU 88 1HD1 LEU 88 27.130 13.782 2.913 654 HD12 LEU 88 2HD1 LEU 88 26.327 12.341 3.536 655 HD13 LEU 88 3HD1 LEU 88 28.064 12.321 3.234 656 HD21 LEU 88 1HD2 LEU 88 26.901 12.596 6.881 657 HD22 LEU 88 2HD2 LEU 88 28.337 11.846 6.185 658 HD23 LEU 88 3HD2 LEU 88 26.742 11.471 5.532 659 H ASP 89 H ASP 89 31.245 13.744 6.788 660 HA ASP 89 HA ASP 89 32.907 16.136 6.826 661 HB2 ASP 89 1HB ASP 89 33.492 13.248 7.501 662 HB3 ASP 89 2HB ASP 89 34.696 14.532 7.565 663 HA PRO 90 HA PRO 90 34.083 15.487 2.590 664 HB2 PRO 90 1HB PRO 90 35.945 17.460 2.497 665 HB3 PRO 90 2HB PRO 90 34.207 17.776 2.441 666 HG2 PRO 90 1HG PRO 90 36.092 17.956 4.760 667 HG3 PRO 90 2HG PRO 90 34.796 19.068 4.284 668 HD2 PRO 90 1HD PRO 90 34.499 17.249 6.267 669 HD3 PRO 90 2HD PRO 90 33.152 17.756 5.227 670 H SER 91 H SER 91 35.692 14.408 1.536 671 HA SER 91 HA SER 91 37.612 13.233 1.179 672 HB2 SER 91 1HB SER 91 38.569 15.467 2.239 673 HB3 SER 91 2HB SER 91 38.957 14.392 3.582 674 HG SER 91 HG SER 91 40.443 13.448 2.408 675 H SER 92 H SER 92 35.579 12.027 2.581 676 HA SER 92 HA SER 92 37.090 10.153 4.242 677 HB2 SER 92 1HB SER 92 34.645 11.682 5.101 678 HB3 SER 92 2HB SER 92 35.012 10.102 5.793 679 HG SER 92 HG SER 92 37.039 10.950 6.439 680 H HIS 93 H HIS 93 36.399 8.050 4.117 681 HA HIS 93 HA HIS 93 34.683 7.408 1.896 682 HB2 HIS 93 1HB HIS 93 36.727 6.109 2.342 683 HB3 HIS 93 2HB HIS 93 36.059 5.590 3.886 684 HD1 HIS 93 1HD HIS 93 36.077 3.109 3.238 685 HD2 HIS 93 2HD HIS 93 33.819 5.488 0.688 686 HE1 HIS 93 1HE HIS 93 34.751 1.508 1.822 687 HE2 HIS 93 2HE HIS 93 33.457 2.968 0.230 688 H TYR 94 H TYR 94 32.616 6.749 1.944 689 HA TYR 94 HA TYR 94 31.410 6.129 4.554 690 HB2 TYR 94 1HB TYR 94 30.503 8.102 2.489 691 HB3 TYR 94 2HB TYR 94 29.311 7.289 3.496 692 HD1 TYR 94 2HD TYR 94 32.062 9.705 3.447 693 HD2 TYR 94 1HD TYR 94 29.164 7.753 5.875 694 HE1 TYR 94 2HE TYR 94 32.464 11.345 5.236 695 HE2 TYR 94 1HE TYR 94 29.557 9.389 7.670 696 HH TYR 94 HH TYR 94 30.449 11.874 7.731 697 H VAL 95 H VAL 95 30.172 4.355 4.592 698 HA VAL 95 HA VAL 95 29.739 2.942 2.061 699 HB VAL 95 HB VAL 95 29.529 1.937 4.903 700 HG11 VAL 95 1HG1 VAL 95 29.112 -0.209 4.059 701 HG12 VAL 95 2HG1 VAL 95 28.056 0.849 3.120 702 HG13 VAL 95 3HG1 VAL 95 29.561 0.254 2.418 703 HG21 VAL 95 1HG2 VAL 95 31.781 2.396 3.266 704 HG22 VAL 95 2HG2 VAL 95 31.720 1.577 4.827 705 HG23 VAL 95 3HG2 VAL 95 31.541 0.650 3.338 706 H ILE 96 H ILE 96 27.863 3.535 1.150 707 HA ILE 96 HA ILE 96 25.514 4.014 2.806 708 HB ILE 96 HB ILE 96 25.894 4.289 -0.178 709 HG12 ILE 96 1HG1 ILE 96 25.507 6.784 0.606 710 HG13 ILE 96 2HG1 ILE 96 26.114 6.167 2.139 711 HG21 ILE 96 1HG2 ILE 96 23.517 4.079 1.329 712 HG22 ILE 96 2HG2 ILE 96 23.676 5.765 0.839 713 HG23 ILE 96 3HG2 ILE 96 23.694 4.488 -0.377 714 HD11 ILE 96 1HD1 ILE 96 27.767 5.357 -0.095 715 HD12 ILE 96 2HD1 ILE 96 27.621 7.109 0.039 716 HD13 ILE 96 3HD1 ILE 96 28.207 6.166 1.408 717 H THR 97 H THR 97 23.711 2.757 2.843 718 HA THR 97 HA THR 97 23.693 0.339 1.167 719 HB THR 97 HB THR 97 22.777 -0.940 3.097 720 HG1 THR 97 1HG THR 97 22.180 1.059 4.273 721 HG21 THR 97 1HG2 THR 97 24.851 -1.531 3.903 722 HG22 THR 97 2HG2 THR 97 25.410 0.140 3.995 723 HG23 THR 97 3HG2 THR 97 25.306 -0.671 2.433 724 H LEU 98 H LEU 98 21.572 -0.637 0.908 725 HA LEU 98 HA LEU 98 19.266 0.960 1.655 726 HB2 LEU 98 1HB LEU 98 19.845 2.070 -0.361 727 HB3 LEU 98 2HB LEU 98 20.133 0.544 -1.194 728 HG LEU 98 HG LEU 98 17.547 0.215 -0.653 729 HD11 LEU 98 1HD1 LEU 98 16.492 2.502 -1.158 730 HD12 LEU 98 2HD1 LEU 98 18.016 3.173 -0.579 731 HD13 LEU 98 3HD1 LEU 98 17.031 2.175 0.490 732 HD21 LEU 98 1HD2 LEU 98 17.083 1.120 -2.907 733 HD22 LEU 98 2HD2 LEU 98 18.508 0.082 -2.861 734 HD23 LEU 98 3HD2 LEU 98 18.696 1.835 -2.923 735 H LYS 99 H LYS 99 17.527 -0.281 2.015 736 HA LYS 99 HA LYS 99 17.419 -2.957 0.813 737 HB2 LYS 99 1HB LYS 99 16.726 -3.921 2.970 738 HB3 LYS 99 2HB LYS 99 18.354 -3.258 3.041 739 HG2 LYS 99 1HG LYS 99 17.646 -1.390 4.292 740 HG3 LYS 99 2HG LYS 99 15.944 -1.720 3.961 741 HD2 LYS 99 1HD LYS 99 16.199 -2.495 6.133 742 HD3 LYS 99 2HD LYS 99 16.397 -3.965 5.175 743 HE2 LYS 99 1HE LYS 99 18.884 -3.533 5.259 744 HE3 LYS 99 2HE LYS 99 18.542 -2.282 6.453 745 HZ1 LYS 99 1HZ LYS 99 19.143 -4.536 7.350 746 HZ2 LYS 99 2HZ LYS 99 17.648 -5.086 6.782 747 HZ3 LYS 99 3HZ LYS 99 17.711 -3.869 7.956 748 H ALA 100 H ALA 100 15.462 -3.492 0.057 749 HA ALA 100 HA ALA 100 13.304 -1.581 0.332 750 HB1 ALA 100 1HB ALA 100 13.870 -3.909 -1.427 751 HB2 ALA 100 2HB ALA 100 12.191 -3.416 -1.207 752 HB3 ALA 100 3HB ALA 100 13.370 -2.270 -1.844 753 H PHE 101 H PHE 101 11.697 -1.734 1.746 754 HA PHE 101 HA PHE 101 10.966 -4.378 2.794 755 HB2 PHE 101 1HB PHE 101 10.826 -3.539 5.051 756 HB3 PHE 101 2HB PHE 101 12.432 -3.180 4.425 757 HD1 PHE 101 2HD PHE 101 13.027 -0.876 3.795 758 HD2 PHE 101 1HD PHE 101 9.310 -1.810 5.646 759 HE1 PHE 101 2HE PHE 101 12.718 1.498 4.362 760 HE2 PHE 101 1HE PHE 101 8.994 0.563 6.216 761 HZ PHE 101 HZ PHE 101 10.700 2.220 5.575 762 H ASN 102 H ASN 102 8.801 -4.643 3.349 763 HA ASN 102 HA ASN 102 7.005 -2.389 2.790 764 HB2 ASN 102 1HB ASN 102 5.526 -3.815 1.485 765 HB3 ASN 102 2HB ASN 102 7.135 -3.815 0.770 766 HD21 ASN 102 1HD2 ASN 102 5.498 -5.779 0.047 767 HD22 ASN 102 2HD2 ASN 102 5.956 -7.278 0.775 768 H ASN 103 H ASN 103 4.601 -3.428 3.232 769 HA ASN 103 HA ASN 103 4.288 -3.512 5.954 770 HB2 ASN 103 1HB ASN 103 2.300 -3.175 4.816 771 HB3 ASN 103 2HB ASN 103 2.608 -4.484 3.679 772 HD21 ASN 103 1HD2 ASN 103 1.831 -6.469 4.095 773 HD22 ASN 103 2HD2 ASN 103 0.933 -6.890 5.510 774 H VAL 104 H VAL 104 5.306 -6.056 3.852 775 HA VAL 104 HA VAL 104 4.755 -8.192 5.705 776 HB VAL 104 HB VAL 104 6.563 -8.265 3.288 777 HG11 VAL 104 1HG1 VAL 104 5.903 -10.178 5.288 778 HG12 VAL 104 2HG1 VAL 104 5.199 -10.701 3.757 779 HG13 VAL 104 3HG1 VAL 104 6.929 -10.375 3.867 780 HG21 VAL 104 1HG2 VAL 104 3.620 -8.908 3.441 781 HG22 VAL 104 2HG2 VAL 104 4.305 -7.460 2.704 782 HG23 VAL 104 3HG2 VAL 104 4.653 -9.047 2.018 783 H GLY 105 H GLY 105 7.697 -6.568 4.515 784 HA2 GLY 105 1HA GLY 105 9.028 -6.371 6.910 785 HA3 GLY 105 2HA GLY 105 9.418 -7.978 6.316 786 H GLU 106 H GLU 106 11.621 -6.941 6.438 787 HA GLU 106 HA GLU 106 12.185 -5.358 4.023 788 HB2 GLU 106 1HB GLU 106 14.321 -4.771 5.145 789 HB3 GLU 106 2HB GLU 106 12.902 -4.240 6.035 790 HG2 GLU 106 1HG GLU 106 14.344 -5.094 7.656 791 HG3 GLU 106 2HG GLU 106 13.149 -6.364 7.402 792 H GLY 107 H GLY 107 13.788 -5.990 2.590 793 HA2 GLY 107 1HA GLY 107 14.394 -8.843 2.645 794 HA3 GLY 107 2HA GLY 107 14.612 -7.758 1.280 795 H ILE 108 H ILE 108 16.701 -7.970 0.750 796 HA ILE 108 HA ILE 108 18.706 -7.835 2.896 797 HB ILE 108 HB ILE 108 20.202 -8.482 0.780 798 HG12 ILE 108 1HG1 ILE 108 18.015 -8.427 -0.606 799 HG13 ILE 108 2HG1 ILE 108 19.117 -9.780 -0.836 800 HG21 ILE 108 1HG2 ILE 108 20.162 -10.738 1.552 801 HG22 ILE 108 2HG2 ILE 108 19.908 -9.693 2.949 802 HG23 ILE 108 3HG2 ILE 108 18.543 -10.540 2.223 803 HD11 ILE 108 1HD1 ILE 108 16.544 -10.158 -0.562 804 HD12 ILE 108 2HD1 ILE 108 17.705 -11.273 0.157 805 HD13 ILE 108 3HD1 ILE 108 16.928 -10.045 1.155 806 HA PRO 109 HA PRO 109 19.614 -3.700 1.573 807 HB2 PRO 109 1HB PRO 109 21.845 -3.369 3.084 808 HB3 PRO 109 2HB PRO 109 20.211 -3.307 3.756 809 HG2 PRO 109 1HG PRO 109 22.178 -5.564 3.762 810 HG3 PRO 109 2HG PRO 109 21.127 -4.992 5.071 811 HD2 PRO 109 1HD PRO 109 20.529 -7.162 3.566 812 HD3 PRO 109 2HD PRO 109 19.281 -6.095 4.241 813 H LEU 110 H LEU 110 21.597 -2.499 0.770 814 HA LEU 110 HA LEU 110 23.265 -4.307 -0.853 815 HB2 LEU 110 1HB LEU 110 22.157 -1.585 -1.505 816 HB3 LEU 110 2HB LEU 110 23.402 -2.384 -2.463 817 HG LEU 110 HG LEU 110 20.680 -3.581 -1.991 818 HD11 LEU 110 1HD1 LEU 110 20.326 -1.478 -3.100 819 HD12 LEU 110 2HD1 LEU 110 20.138 -2.783 -4.270 820 HD13 LEU 110 3HD1 LEU 110 21.616 -1.822 -4.252 821 HD21 LEU 110 1HD2 LEU 110 23.115 -4.411 -3.326 822 HD22 LEU 110 2HD2 LEU 110 21.727 -4.416 -4.415 823 HD23 LEU 110 3HD2 LEU 110 21.676 -5.345 -2.915 824 H TYR 111 H TYR 111 25.402 -3.476 -1.425 825 HA TYR 111 HA TYR 111 26.482 -1.716 0.678 826 HB2 TYR 111 1HB TYR 111 27.544 -4.231 -0.549 827 HB3 TYR 111 2HB TYR 111 28.676 -3.024 0.051 828 HD1 TYR 111 2HD TYR 111 25.434 -4.406 1.312 829 HD2 TYR 111 1HD TYR 111 29.544 -3.632 2.095 830 HE1 TYR 111 2HE TYR 111 25.160 -5.291 3.590 831 HE2 TYR 111 1HE TYR 111 29.282 -4.516 4.375 832 HH TYR 111 HH TYR 111 26.953 -6.406 5.358 833 H GLU 112 H GLU 112 27.268 0.150 -0.016 834 HA GLU 112 HA GLU 112 28.320 0.306 -2.763 835 HB2 GLU 112 1HB GLU 112 26.417 2.117 -1.329 836 HB3 GLU 112 2HB GLU 112 27.513 2.797 -2.524 837 HG2 GLU 112 1HG GLU 112 25.145 2.061 -3.240 838 HG3 GLU 112 2HG GLU 112 26.521 1.681 -4.274 839 H SER 113 H SER 113 29.660 2.398 -3.026 840 HA SER 113 HA SER 113 31.150 3.063 -0.599 841 HB2 SER 113 1HB SER 113 33.311 2.724 -1.814 842 HB3 SER 113 2HB SER 113 32.425 1.227 -1.523 843 HG SER 113 HG SER 113 32.446 0.936 -3.591 844 H ALA 114 H ALA 114 31.794 5.141 -0.520 845 HA ALA 114 HA ALA 114 32.212 6.722 -2.879 846 HB1 ALA 114 1HB ALA 114 29.955 7.647 -1.133 847 HB2 ALA 114 2HB ALA 114 30.406 8.197 -2.747 848 HB3 ALA 114 3HB ALA 114 29.675 6.607 -2.530 849 H VAL 115 H VAL 115 33.847 8.020 -2.397 850 HA VAL 115 HA VAL 115 34.282 8.769 0.410 851 HB VAL 115 HB VAL 115 36.213 8.818 -1.914 852 HG11 VAL 115 1HG1 VAL 115 37.138 9.021 0.891 853 HG12 VAL 115 2HG1 VAL 115 37.794 9.748 -0.577 854 HG13 VAL 115 3HG1 VAL 115 36.371 10.448 0.195 855 HG21 VAL 115 1HG2 VAL 115 35.333 6.678 -0.313 856 HG22 VAL 115 2HG2 VAL 115 36.676 6.693 -1.456 857 HG23 VAL 115 3HG2 VAL 115 36.958 7.084 0.240 858 H THR 116 H THR 116 33.310 10.657 0.834 859 HA THR 116 HA THR 116 32.554 12.666 -0.843 860 HB THR 116 HB THR 116 32.820 14.237 1.116 861 HG1 THR 116 1HG THR 116 33.286 12.878 3.121 862 HG21 THR 116 1HG2 THR 116 30.946 13.403 2.171 863 HG22 THR 116 2HG2 THR 116 31.511 11.734 2.088 864 HG23 THR 116 3HG2 THR 116 30.887 12.527 0.642 865 H ARG 117 H ARG 117 33.468 14.367 -1.870 866 HA ARG 117 HA ARG 117 36.255 14.343 -2.364 867 HB2 ARG 117 1HB ARG 117 34.083 16.328 -3.025 868 HB3 ARG 117 2HB ARG 117 35.756 16.559 -3.516 869 HG2 ARG 117 1HG ARG 117 35.676 14.462 -4.771 870 HG3 ARG 117 2HG ARG 117 33.994 14.242 -4.285 871 HD2 ARG 117 1HD ARG 117 33.588 16.539 -5.343 872 HD3 ARG 117 2HD ARG 117 35.169 16.329 -6.095 873 HE ARG 117 HE ARG 117 33.508 14.067 -6.538 874 HH11 ARG 117 2HH1 ARG 117 34.064 17.344 -7.573 875 HH12 ARG 117 1HH1 ARG 117 33.419 17.090 -9.160 876 HH21 ARG 117 2HH2 ARG 117 32.656 13.720 -8.625 877 HH22 ARG 117 1HH2 ARG 117 32.618 15.029 -9.758 878 HA PRO 118 HA PRO 118 37.903 16.891 0.807 879 HB2 PRO 118 1HB PRO 118 39.903 18.158 -0.521 880 HB3 PRO 118 2HB PRO 118 39.976 16.448 -0.080 881 HG2 PRO 118 1HG PRO 118 39.264 17.698 -2.705 882 HG3 PRO 118 2HG PRO 118 40.287 16.287 -2.379 883 HD2 PRO 118 1HD PRO 118 37.717 16.064 -3.203 884 HD3 PRO 118 2HD PRO 118 38.480 14.879 -2.123 885 H HIS 119 H HIS 119 37.241 18.744 1.691 886 HA HIS 119 HA HIS 119 35.766 20.670 0.243 887 HB2 HIS 119 1HB HIS 119 35.794 20.043 2.809 888 HB3 HIS 119 2HB HIS 119 36.982 21.340 2.891 889 HD1 HIS 119 1HD HIS 119 36.060 23.691 1.761 890 HD2 HIS 119 2HD HIS 119 33.243 20.911 3.027 891 HE1 HIS 119 1HE HIS 119 33.908 24.972 1.996 892 HE2 HIS 119 2HE HIS 119 32.239 23.288 2.844 893 H THR 120 H THR 120 36.280 22.699 -0.479 894 HA THR 120 HA THR 120 39.129 23.449 -0.375 895 HB THR 120 HB THR 120 38.874 24.446 -2.623 896 HG1 THR 120 1HG THR 120 36.398 24.401 -2.262 897 HG21 THR 120 1HG2 THR 120 38.417 21.520 -2.188 898 HG22 THR 120 2HG2 THR 120 39.862 22.354 -2.760 899 HG23 THR 120 3HG2 THR 120 38.471 22.168 -3.827 900 H SER 121 H SER 121 39.444 25.827 -0.931 901 HA SER 121 HA SER 121 37.257 27.452 0.181 902 HB2 SER 121 1HB SER 121 40.119 27.305 1.027 903 HB3 SER 121 2HB SER 121 39.302 28.867 1.100 904 HG SER 121 HG SER 121 38.122 26.559 2.209 905 H GLY 122 H GLY 122 36.747 29.208 -0.973 906 HA2 GLY 122 1HA GLY 122 37.999 29.676 -3.490 907 HA3 GLY 122 2HA GLY 122 36.725 30.648 -2.769 908 HA PRO 123 HA PRO 123 41.220 32.348 -1.943 909 HB2 PRO 123 1HB PRO 123 42.340 32.836 -4.367 910 HB3 PRO 123 2HB PRO 123 42.598 31.332 -3.475 911 HG2 PRO 123 1HG PRO 123 40.718 31.895 -5.735 912 HG3 PRO 123 2HG PRO 123 41.755 30.482 -5.468 913 HD2 PRO 123 1HD PRO 123 39.105 30.471 -4.910 914 HD3 PRO 123 2HD PRO 123 40.282 29.526 -3.975 915 H SER 124 H SER 124 41.281 34.498 -1.633 916 HA SER 124 HA SER 124 39.282 36.145 -2.900 917 HB2 SER 124 1HB SER 124 40.175 36.196 -0.420 918 HB3 SER 124 2HB SER 124 41.395 37.271 -1.102 919 HG SER 124 HG SER 124 39.257 38.151 -0.266 920 H SER 125 H SER 125 39.730 38.154 -3.972 921 HA SER 125 HA SER 125 41.302 38.075 -6.156 922 HB2 SER 125 1HB SER 125 41.271 40.538 -6.198 923 HB3 SER 125 2HB SER 125 39.702 39.886 -5.724 924 HG SER 125 HG SER 125 40.175 40.387 -3.589 925 H GLY 126 H GLY 126 42.329 39.320 -2.989 926 HA2 GLY 126 1HA GLY 126 45.070 38.588 -3.594 927 HA3 GLY 126 2HA GLY 126 44.787 40.314 -3.420 Start of MODEL 12 1 H1 GLY 1 H GLY 1 18.632 -0.621 -34.272 2 HA2 GLY 1 1HA GLY 1 16.024 -0.301 -35.310 3 HA3 GLY 1 2HA GLY 1 16.010 -1.562 -34.086 4 H SER 2 H SER 2 14.739 1.093 -34.100 5 HA SER 2 HA SER 2 15.539 1.881 -31.442 6 HB2 SER 2 1HB SER 2 15.918 3.721 -33.806 7 HB3 SER 2 2HB SER 2 15.772 4.318 -32.153 8 HG SER 2 HG SER 2 17.746 2.550 -33.169 9 H SER 3 H SER 3 13.960 3.063 -30.355 10 HA SER 3 HA SER 3 11.614 4.009 -31.741 11 HB2 SER 3 1HB SER 3 11.593 1.475 -30.140 12 HB3 SER 3 2HB SER 3 10.166 2.511 -30.143 13 HG SER 3 HG SER 3 10.660 2.387 -32.604 14 H GLY 4 H GLY 4 10.251 5.292 -30.431 15 HA2 GLY 4 1HA GLY 4 10.670 5.596 -27.627 16 HA3 GLY 4 2HA GLY 4 11.483 6.868 -28.527 17 H SER 5 H SER 5 9.805 7.960 -26.985 18 HA SER 5 HA SER 5 7.593 8.771 -28.687 19 HB2 SER 5 1HB SER 5 5.950 8.539 -26.814 20 HB3 SER 5 2HB SER 5 6.551 6.995 -27.418 21 HG SER 5 HG SER 5 6.576 7.039 -25.150 22 H SER 6 H SER 6 6.670 10.793 -28.090 23 HA SER 6 HA SER 6 8.517 12.440 -26.525 24 HB2 SER 6 1HB SER 6 6.413 13.110 -28.582 25 HB3 SER 6 2HB SER 6 7.201 14.345 -27.600 26 HG SER 6 HG SER 6 8.204 12.822 -29.688 27 H GLY 7 H GLY 7 7.511 14.249 -25.247 28 HA2 GLY 7 1HA GLY 7 4.854 13.715 -24.197 29 HA3 GLY 7 2HA GLY 7 6.174 13.470 -23.064 30 HA PRO 8 HA PRO 8 5.002 18.112 -23.831 31 HB2 PRO 8 1HB PRO 8 2.710 18.431 -22.411 32 HB3 PRO 8 2HB PRO 8 2.726 18.054 -24.138 33 HG2 PRO 8 1HG PRO 8 2.326 16.223 -21.803 34 HG3 PRO 8 2HG PRO 8 1.454 16.275 -23.346 35 HD2 PRO 8 1HD PRO 8 3.407 14.470 -22.837 36 HD3 PRO 8 2HD PRO 8 3.105 15.117 -24.462 37 H ALA 9 H ALA 9 5.169 19.770 -22.205 38 HA ALA 9 HA ALA 9 6.852 19.246 -20.109 39 HB1 ALA 9 1HB ALA 9 5.996 21.497 -21.146 40 HB2 ALA 9 2HB ALA 9 4.875 21.452 -19.785 41 HB3 ALA 9 3HB ALA 9 6.614 21.443 -19.495 42 H THR 10 H THR 10 6.549 19.269 -17.796 43 HA THR 10 HA THR 10 3.909 18.292 -16.929 44 HB THR 10 HB THR 10 5.514 16.404 -17.130 45 HG1 THR 10 1HG THR 10 4.391 17.191 -14.671 46 HG21 THR 10 1HG2 THR 10 6.990 17.423 -14.748 47 HG22 THR 10 2HG2 THR 10 7.450 18.013 -16.345 48 HG23 THR 10 3HG2 THR 10 7.508 16.286 -15.992 49 H ASP 11 H ASP 11 3.126 19.176 -15.104 50 HA ASP 11 HA ASP 11 4.869 21.062 -13.667 51 HB2 ASP 11 1HB ASP 11 1.867 21.070 -13.507 52 HB3 ASP 11 2HB ASP 11 2.992 22.390 -13.200 53 H TRP 12 H TRP 12 2.114 18.879 -13.059 54 HA TRP 12 HA TRP 12 3.330 18.239 -10.454 55 HB2 TRP 12 1HB TRP 12 0.492 18.950 -11.110 56 HB3 TRP 12 2HB TRP 12 0.832 17.866 -9.763 57 HD1 TRP 12 HD TRP 12 0.344 21.406 -10.438 58 HE1 TRP 12 1HE TRP 12 1.277 22.864 -8.534 59 HE3 TRP 12 3HE TRP 12 3.173 17.891 -8.035 60 HZ2 TRP 12 2HZ TRP 12 2.987 22.565 -6.308 61 HZ3 TRP 12 3HZ TRP 12 4.427 18.558 -6.027 62 HH2 TRP 12 HH TRP 12 4.335 20.847 -5.183 63 H LEU 13 H LEU 13 3.891 16.174 -10.369 64 HA LEU 13 HA LEU 13 3.318 14.242 -12.261 65 HB2 LEU 13 1HB LEU 13 4.267 14.157 -9.439 66 HB3 LEU 13 2HB LEU 13 3.830 12.646 -10.233 67 HG LEU 13 HG LEU 13 5.480 13.532 -12.088 68 HD11 LEU 13 1HD1 LEU 13 5.874 15.376 -9.890 69 HD12 LEU 13 2HD1 LEU 13 6.478 15.444 -11.545 70 HD13 LEU 13 3HD1 LEU 13 7.361 14.531 -10.321 71 HD21 LEU 13 1HD2 LEU 13 6.325 12.307 -9.465 72 HD22 LEU 13 2HD2 LEU 13 7.307 12.329 -10.929 73 HD23 LEU 13 3HD2 LEU 13 5.776 11.453 -10.907 74 H SER 14 H SER 14 1.460 13.331 -12.803 75 HA SER 14 HA SER 14 -0.979 13.588 -11.675 76 HB2 SER 14 1HB SER 14 -0.158 12.268 -13.818 77 HB3 SER 14 2HB SER 14 -0.322 10.876 -12.748 78 HG SER 14 HG SER 14 -2.309 11.046 -13.539 79 H ALA 15 H ALA 15 -2.222 12.613 -10.118 80 HA ALA 15 HA ALA 15 -0.745 11.117 -8.089 81 HB1 ALA 15 1HB ALA 15 -3.167 12.822 -8.096 82 HB2 ALA 15 2HB ALA 15 -3.102 11.515 -6.913 83 HB3 ALA 15 3HB ALA 15 -1.837 12.743 -6.941 84 H GLU 16 H GLU 16 -1.334 9.690 -10.435 85 HA GLU 16 HA GLU 16 -3.597 8.229 -10.664 86 HB2 GLU 16 1HB GLU 16 -1.556 7.958 -12.063 87 HB3 GLU 16 2HB GLU 16 -0.820 7.039 -10.759 88 HG2 GLU 16 1HG GLU 16 -2.875 5.508 -10.962 89 HG3 GLU 16 2HG GLU 16 -3.115 6.290 -12.523 90 H THR 17 H THR 17 -4.799 7.529 -9.007 91 HA THR 17 HA THR 17 -3.870 6.671 -6.516 92 HB THR 17 HB THR 17 -6.110 5.697 -6.178 93 HG1 THR 17 1HG THR 17 -7.576 6.122 -8.087 94 HG21 THR 17 1HG2 THR 17 -6.415 8.308 -7.643 95 HG22 THR 17 2HG2 THR 17 -5.626 8.200 -6.070 96 HG23 THR 17 3HG2 THR 17 -7.315 7.723 -6.244 97 H PHE 18 H PHE 18 -2.846 4.887 -5.914 98 HA PHE 18 HA PHE 18 -2.709 2.626 -7.747 99 HB2 PHE 18 1HB PHE 18 -0.737 3.771 -6.400 100 HB3 PHE 18 2HB PHE 18 -1.260 2.662 -5.136 101 HD1 PHE 18 2HD PHE 18 -0.569 2.566 -8.805 102 HD2 PHE 18 1HD PHE 18 -0.156 0.664 -5.020 103 HE1 PHE 18 2HE PHE 18 0.730 0.762 -9.858 104 HE2 PHE 18 1HE PHE 18 1.145 -1.144 -6.067 105 HZ PHE 18 HZ PHE 18 1.588 -1.097 -8.489 106 H GLU 19 H GLU 19 -4.201 1.097 -7.573 107 HA GLU 19 HA GLU 19 -5.882 0.747 -5.339 108 HB2 GLU 19 1HB GLU 19 -5.283 -1.197 -7.576 109 HB3 GLU 19 2HB GLU 19 -6.648 -1.292 -6.472 110 HG2 GLU 19 1HG GLU 19 -7.622 0.676 -7.370 111 HG3 GLU 19 2HG GLU 19 -6.170 1.044 -8.299 112 H SER 20 H SER 20 -5.991 -0.937 -3.814 113 HA SER 20 HA SER 20 -3.381 -1.923 -3.002 114 HB2 SER 20 1HB SER 20 -5.285 -0.888 -1.496 115 HB3 SER 20 2HB SER 20 -5.891 -2.544 -1.494 116 HG SER 20 HG SER 20 -4.411 -2.032 0.243 117 H ASP 21 H ASP 21 -4.186 -3.122 -5.339 118 HA ASP 21 HA ASP 21 -5.046 -5.812 -4.508 119 HB2 ASP 21 1HB ASP 21 -5.232 -4.362 -7.144 120 HB3 ASP 21 2HB ASP 21 -5.421 -6.110 -7.030 121 H LEU 22 H LEU 22 -2.367 -4.839 -4.133 122 HA LEU 22 HA LEU 22 -0.868 -6.402 -6.122 123 HB2 LEU 22 1HB LEU 22 -0.143 -4.119 -4.332 124 HB3 LEU 22 2HB LEU 22 1.110 -5.202 -4.935 125 HG LEU 22 HG LEU 22 0.960 -3.185 -6.289 126 HD11 LEU 22 1HD1 LEU 22 1.463 -5.491 -7.259 127 HD12 LEU 22 2HD1 LEU 22 1.017 -4.213 -8.389 128 HD13 LEU 22 3HD1 LEU 22 -0.170 -5.432 -7.925 129 HD21 LEU 22 1HD2 LEU 22 -0.951 -2.274 -7.004 130 HD22 LEU 22 2HD2 LEU 22 -1.744 -3.344 -5.848 131 HD23 LEU 22 3HD2 LEU 22 -1.596 -3.827 -7.538 132 H ASP 23 H ASP 23 1.078 -7.556 -5.236 133 HA ASP 23 HA ASP 23 0.254 -9.370 -3.210 134 HB2 ASP 23 1HB ASP 23 2.691 -9.001 -4.886 135 HB3 ASP 23 2HB ASP 23 2.832 -9.994 -3.438 136 H GLU 24 H GLU 24 0.258 -8.984 -1.104 137 HA GLU 24 HA GLU 24 2.437 -7.350 0.020 138 HB2 GLU 24 1HB GLU 24 0.012 -6.362 -0.069 139 HB3 GLU 24 2HB GLU 24 -0.272 -7.432 1.297 140 HG2 GLU 24 1HG GLU 24 1.734 -6.350 2.391 141 HG3 GLU 24 2HG GLU 24 1.660 -5.144 1.108 142 H THR 25 H THR 25 2.469 -10.169 -0.249 143 HA THR 25 HA THR 25 2.231 -11.017 2.565 144 HB THR 25 HB THR 25 0.711 -12.285 1.130 145 HG1 THR 25 1HG THR 25 1.224 -13.891 2.395 146 HG21 THR 25 1HG2 THR 25 2.031 -12.021 -0.967 147 HG22 THR 25 2HG2 THR 25 1.498 -13.676 -0.672 148 HG23 THR 25 3HG2 THR 25 3.170 -13.217 -0.352 149 H ARG 26 H ARG 26 4.362 -10.319 0.066 150 HA ARG 26 HA ARG 26 6.520 -11.777 1.439 151 HB2 ARG 26 1HB ARG 26 7.638 -12.074 -0.734 152 HB3 ARG 26 2HB ARG 26 6.074 -12.878 -0.686 153 HG2 ARG 26 1HG ARG 26 5.107 -10.912 -1.876 154 HG3 ARG 26 2HG ARG 26 6.748 -10.285 -2.053 155 HD2 ARG 26 1HD ARG 26 6.190 -11.426 -4.071 156 HD3 ARG 26 2HD ARG 26 7.353 -12.423 -3.198 157 HE ARG 26 HE ARG 26 4.920 -13.373 -2.413 158 HH11 ARG 26 2HH1 ARG 26 6.493 -12.881 -5.479 159 HH12 ARG 26 1HH1 ARG 26 5.675 -14.195 -6.258 160 HH21 ARG 26 2HH2 ARG 26 3.836 -15.105 -3.426 161 HH22 ARG 26 1HH2 ARG 26 4.163 -15.459 -5.089 162 H VAL 27 H VAL 27 8.574 -10.759 1.447 163 HA VAL 27 HA VAL 27 8.396 -7.863 1.441 164 HB VAL 27 HB VAL 27 10.585 -7.886 2.492 165 HG11 VAL 27 1HG1 VAL 27 8.384 -8.499 3.725 166 HG12 VAL 27 2HG1 VAL 27 9.105 -10.106 3.842 167 HG13 VAL 27 3HG1 VAL 27 9.928 -8.714 4.549 168 HG21 VAL 27 1HG2 VAL 27 10.875 -10.743 2.841 169 HG22 VAL 27 2HG2 VAL 27 10.931 -10.288 1.138 170 HG23 VAL 27 3HG2 VAL 27 12.051 -9.552 2.285 171 HA PRO 28 HA PRO 28 10.327 -7.222 -2.459 172 HB2 PRO 28 1HB PRO 28 11.421 -4.775 -2.025 173 HB3 PRO 28 2HB PRO 28 9.686 -5.025 -2.253 174 HG2 PRO 28 1HG PRO 28 11.233 -4.676 0.287 175 HG3 PRO 28 2HG PRO 28 9.675 -3.969 -0.181 176 HD2 PRO 28 1HD PRO 28 9.867 -6.115 1.460 177 HD3 PRO 28 2HD PRO 28 8.505 -5.884 0.344 178 H GLU 29 H GLU 29 12.010 -8.584 -2.811 179 HA GLU 29 HA GLU 29 14.343 -8.746 -1.252 180 HB2 GLU 29 1HB GLU 29 15.278 -10.033 -3.147 181 HB3 GLU 29 2HB GLU 29 13.672 -10.578 -2.685 182 HG2 GLU 29 1HG GLU 29 13.512 -10.561 -4.968 183 HG3 GLU 29 2HG GLU 29 12.876 -8.968 -4.562 184 H VAL 30 H VAL 30 16.581 -8.372 -2.180 185 HA VAL 30 HA VAL 30 17.306 -5.809 -2.306 186 HB VAL 30 HB VAL 30 19.006 -7.487 -2.348 187 HG11 VAL 30 1HG1 VAL 30 18.130 -8.136 -5.161 188 HG12 VAL 30 2HG1 VAL 30 19.471 -8.878 -4.286 189 HG13 VAL 30 3HG1 VAL 30 17.813 -9.125 -3.736 190 HG21 VAL 30 1HG2 VAL 30 19.048 -5.642 -4.718 191 HG22 VAL 30 2HG2 VAL 30 19.858 -5.456 -3.162 192 HG23 VAL 30 3HG2 VAL 30 20.422 -6.670 -4.311 193 HA PRO 31 HA PRO 31 15.463 -3.978 -5.879 194 HB2 PRO 31 1HB PRO 31 16.956 -1.711 -5.943 195 HB3 PRO 31 2HB PRO 31 15.669 -1.981 -4.761 196 HG2 PRO 31 1HG PRO 31 18.628 -2.311 -4.448 197 HG3 PRO 31 2HG PRO 31 17.458 -1.587 -3.329 198 HD2 PRO 31 1HD PRO 31 18.400 -4.107 -3.022 199 HD3 PRO 31 2HD PRO 31 16.759 -3.634 -2.536 200 H SER 32 H SER 32 16.351 -2.727 -7.900 201 HA SER 32 HA SER 32 17.873 -4.540 -9.407 202 HB2 SER 32 1HB SER 32 17.561 -3.097 -11.204 203 HB3 SER 32 2HB SER 32 16.219 -2.646 -10.152 204 HG SER 32 HG SER 32 17.034 -0.723 -10.121 205 H SER 33 H SER 33 18.752 -1.475 -7.865 206 HA SER 33 HA SER 33 21.418 -2.248 -7.396 207 HB2 SER 33 1HB SER 33 20.877 -0.751 -9.920 208 HB3 SER 33 2HB SER 33 22.316 -0.323 -8.995 209 HG SER 33 HG SER 33 22.199 -2.217 -10.688 210 H LEU 34 H LEU 34 22.790 -0.057 -7.038 211 HA LEU 34 HA LEU 34 21.115 2.043 -5.917 212 HB2 LEU 34 1HB LEU 34 21.202 0.959 -3.928 213 HB3 LEU 34 2HB LEU 34 22.686 0.101 -4.338 214 HG LEU 34 HG LEU 34 23.935 2.228 -3.918 215 HD11 LEU 34 1HD1 LEU 34 22.549 4.021 -4.031 216 HD12 LEU 34 2HD1 LEU 34 22.464 3.732 -2.293 217 HD13 LEU 34 3HD1 LEU 34 21.177 3.147 -3.348 218 HD21 LEU 34 1HD2 LEU 34 23.765 0.416 -2.254 219 HD22 LEU 34 2HD2 LEU 34 22.329 1.191 -1.585 220 HD23 LEU 34 3HD2 LEU 34 23.889 2.011 -1.510 221 H HIS 35 H HIS 35 21.933 3.866 -6.684 222 HA HIS 35 HA HIS 35 24.829 4.036 -7.160 223 HB2 HIS 35 1HB HIS 35 23.508 4.423 -9.154 224 HB3 HIS 35 2HB HIS 35 22.540 5.636 -8.322 225 HD1 HIS 35 1HD HIS 35 23.182 7.916 -8.988 226 HD2 HIS 35 2HD HIS 35 26.441 5.339 -9.020 227 HE1 HIS 35 1HE HIS 35 25.139 9.316 -9.720 228 HE2 HIS 35 2HE HIS 35 27.082 7.716 -9.814 229 H VAL 36 H VAL 36 26.059 5.563 -6.188 230 HA VAL 36 HA VAL 36 24.717 7.592 -4.540 231 HB VAL 36 HB VAL 36 26.570 7.202 -2.820 232 HG11 VAL 36 1HG1 VAL 36 24.283 5.315 -3.286 233 HG12 VAL 36 2HG1 VAL 36 25.303 5.200 -1.850 234 HG13 VAL 36 3HG1 VAL 36 24.386 6.674 -2.166 235 HG21 VAL 36 1HG2 VAL 36 26.795 4.687 -4.452 236 HG22 VAL 36 2HG2 VAL 36 28.076 5.805 -3.983 237 HG23 VAL 36 3HG2 VAL 36 27.316 4.776 -2.769 238 H ARG 37 H ARG 37 25.549 9.570 -4.765 239 HA ARG 37 HA ARG 37 28.142 9.823 -6.137 240 HB2 ARG 37 1HB ARG 37 26.083 10.704 -7.305 241 HB3 ARG 37 2HB ARG 37 25.949 11.895 -6.018 242 HG2 ARG 37 1HG ARG 37 28.426 12.433 -6.683 243 HG3 ARG 37 2HG ARG 37 27.950 11.683 -8.208 244 HD2 ARG 37 1HD ARG 37 26.192 13.763 -6.991 245 HD3 ARG 37 2HD ARG 37 27.659 14.261 -7.832 246 HE ARG 37 HE ARG 37 26.382 12.534 -9.545 247 HH11 ARG 37 2HH1 ARG 37 25.607 15.536 -7.961 248 HH12 ARG 37 1HH1 ARG 37 24.544 16.076 -9.218 249 HH21 ARG 37 2HH2 ARG 37 24.985 13.234 -11.207 250 HH22 ARG 37 1HH2 ARG 37 24.190 14.765 -11.063 251 HA PRO 38 HA PRO 38 29.410 11.421 -2.137 252 HB2 PRO 38 1HB PRO 38 32.047 11.563 -2.770 253 HB3 PRO 38 2HB PRO 38 31.247 10.053 -2.319 254 HG2 PRO 38 1HG PRO 38 31.921 11.100 -5.042 255 HG3 PRO 38 2HG PRO 38 32.097 9.456 -4.400 256 HD2 PRO 38 1HD PRO 38 30.034 10.184 -5.995 257 HD3 PRO 38 2HD PRO 38 29.870 8.957 -4.723 258 H LEU 39 H LEU 39 29.128 13.498 -1.649 259 HA LEU 39 HA LEU 39 30.187 15.538 -3.492 260 HB2 LEU 39 1HB LEU 39 27.669 15.363 -1.926 261 HB3 LEU 39 2HB LEU 39 28.399 16.953 -2.137 262 HG LEU 39 HG LEU 39 28.392 16.206 -4.683 263 HD11 LEU 39 1HD1 LEU 39 26.213 14.576 -3.402 264 HD12 LEU 39 2HD1 LEU 39 27.519 14.018 -4.447 265 HD13 LEU 39 3HD1 LEU 39 26.221 15.009 -5.112 266 HD21 LEU 39 1HD2 LEU 39 25.893 17.165 -3.296 267 HD22 LEU 39 2HD2 LEU 39 26.372 17.466 -4.967 268 HD23 LEU 39 3HD2 LEU 39 27.292 18.182 -3.642 269 H VAL 40 H VAL 40 31.040 17.473 -2.559 270 HA VAL 40 HA VAL 40 32.974 17.320 -0.745 271 HB VAL 40 HB VAL 40 31.053 19.650 -0.867 272 HG11 VAL 40 1HG1 VAL 40 32.416 20.814 0.473 273 HG12 VAL 40 2HG1 VAL 40 33.063 19.244 0.953 274 HG13 VAL 40 3HG1 VAL 40 33.867 20.184 -0.305 275 HG21 VAL 40 1HG2 VAL 40 32.941 18.600 -2.768 276 HG22 VAL 40 2HG2 VAL 40 31.803 19.936 -2.941 277 HG23 VAL 40 3HG2 VAL 40 33.406 20.226 -2.266 278 H THR 41 H THR 41 29.948 18.779 0.413 279 HA THR 41 HA THR 41 30.378 17.405 2.985 280 HB THR 41 HB THR 41 29.001 19.261 3.977 281 HG1 THR 41 1HG THR 41 29.568 20.757 1.655 282 HG21 THR 41 1HG2 THR 41 31.472 20.282 2.585 283 HG22 THR 41 2HG2 THR 41 31.528 19.177 3.958 284 HG23 THR 41 3HG2 THR 41 30.820 20.781 4.145 285 H SER 42 H SER 42 28.879 16.482 0.567 286 HA SER 42 HA SER 42 26.470 15.679 1.976 287 HB2 SER 42 1HB SER 42 25.068 16.247 -0.079 288 HB3 SER 42 2HB SER 42 25.577 17.611 0.917 289 HG SER 42 HG SER 42 25.987 18.126 -1.208 290 H ILE 43 H ILE 43 25.122 14.269 0.242 291 HA ILE 43 HA ILE 43 26.767 12.786 -1.589 292 HB ILE 43 HB ILE 43 25.806 11.414 0.925 293 HG12 ILE 43 1HG1 ILE 43 28.564 12.061 -0.127 294 HG13 ILE 43 2HG1 ILE 43 27.833 12.622 1.373 295 HG21 ILE 43 1HG2 ILE 43 26.131 9.409 -0.042 296 HG22 ILE 43 2HG2 ILE 43 25.878 10.303 -1.540 297 HG23 ILE 43 3HG2 ILE 43 27.516 9.968 -0.979 298 HD11 ILE 43 1HD1 ILE 43 27.718 10.005 1.822 299 HD12 ILE 43 2HD1 ILE 43 29.103 10.037 0.729 300 HD13 ILE 43 3HD1 ILE 43 29.132 10.982 2.217 301 H VAL 44 H VAL 44 25.351 12.793 -3.221 302 HA VAL 44 HA VAL 44 22.519 12.577 -2.826 303 HB VAL 44 HB VAL 44 24.157 12.482 -5.363 304 HG11 VAL 44 1HG1 VAL 44 21.545 13.319 -5.918 305 HG12 VAL 44 2HG1 VAL 44 22.306 11.797 -6.385 306 HG13 VAL 44 3HG1 VAL 44 21.381 11.899 -4.886 307 HG21 VAL 44 1HG2 VAL 44 22.549 14.719 -4.133 308 HG22 VAL 44 2HG2 VAL 44 24.309 14.607 -4.150 309 HG23 VAL 44 3HG2 VAL 44 23.422 14.788 -5.664 310 H VAL 45 H VAL 45 21.871 10.648 -2.019 311 HA VAL 45 HA VAL 45 22.894 8.172 -3.171 312 HB VAL 45 HB VAL 45 20.905 8.538 -0.927 313 HG11 VAL 45 1HG1 VAL 45 22.429 6.141 -1.931 314 HG12 VAL 45 2HG1 VAL 45 21.585 6.191 -0.381 315 HG13 VAL 45 3HG1 VAL 45 20.680 6.365 -1.886 316 HG21 VAL 45 1HG2 VAL 45 22.907 7.872 0.489 317 HG22 VAL 45 2HG2 VAL 45 23.899 8.254 -0.918 318 HG23 VAL 45 3HG2 VAL 45 22.914 9.509 -0.166 319 H SER 46 H SER 46 21.985 7.833 -5.132 320 HA SER 46 HA SER 46 19.058 8.007 -5.348 321 HB2 SER 46 1HB SER 46 19.780 9.259 -7.129 322 HB3 SER 46 2HB SER 46 21.291 8.363 -7.283 323 HG SER 46 HG SER 46 19.750 7.989 -8.999 324 H TRP 47 H TRP 47 17.913 6.196 -5.394 325 HA TRP 47 HA TRP 47 19.276 3.694 -6.150 326 HB2 TRP 47 1HB TRP 47 17.837 2.515 -4.552 327 HB3 TRP 47 2HB TRP 47 18.791 3.756 -3.745 328 HD1 TRP 47 HD TRP 47 15.208 2.802 -4.574 329 HE1 TRP 47 1HE TRP 47 13.608 4.366 -3.302 330 HE3 TRP 47 3HE TRP 47 18.613 6.174 -2.795 331 HZ2 TRP 47 2HZ TRP 47 13.768 6.718 -1.749 332 HZ3 TRP 47 3HZ TRP 47 17.808 8.052 -1.424 333 HH2 TRP 47 HH TRP 47 15.435 8.317 -0.914 334 H THR 48 H THR 48 17.368 1.943 -6.476 335 HA THR 48 HA THR 48 15.209 3.108 -8.064 336 HB THR 48 HB THR 48 15.777 1.187 -9.787 337 HG1 THR 48 1HG THR 48 17.755 0.812 -8.280 338 HG21 THR 48 1HG2 THR 48 17.089 2.834 -11.108 339 HG22 THR 48 2HG2 THR 48 17.190 3.853 -9.671 340 HG23 THR 48 3HG2 THR 48 15.622 3.515 -10.405 341 HA PRO 49 HA PRO 49 12.809 -0.148 -6.352 342 HB2 PRO 49 1HB PRO 49 10.969 -0.522 -8.314 343 HB3 PRO 49 2HB PRO 49 10.973 0.895 -7.257 344 HG2 PRO 49 1HG PRO 49 12.021 0.610 -10.046 345 HG3 PRO 49 2HG PRO 49 11.086 1.937 -9.333 346 HD2 PRO 49 1HD PRO 49 13.770 2.062 -9.668 347 HD3 PRO 49 2HD PRO 49 12.938 2.865 -8.321 348 HA PRO 50 HA PRO 50 14.196 -4.045 -7.856 349 HB2 PRO 50 1HB PRO 50 12.201 -5.667 -6.983 350 HB3 PRO 50 2HB PRO 50 13.396 -4.944 -5.899 351 HG2 PRO 50 1HG PRO 50 10.595 -4.066 -6.487 352 HG3 PRO 50 2HG PRO 50 11.436 -4.153 -4.928 353 HD2 PRO 50 1HD PRO 50 11.124 -1.832 -6.287 354 HD3 PRO 50 2HD PRO 50 12.542 -2.160 -5.271 355 H GLU 51 H GLU 51 14.013 -5.358 -9.620 356 HA GLU 51 HA GLU 51 12.650 -4.667 -11.850 357 HB2 GLU 51 1HB GLU 51 13.663 -7.300 -10.871 358 HB3 GLU 51 2HB GLU 51 12.698 -7.264 -12.340 359 HG2 GLU 51 1HG GLU 51 14.296 -5.542 -13.225 360 HG3 GLU 51 2HG GLU 51 15.314 -5.880 -11.825 361 H ASN 52 H ASN 52 11.452 -6.754 -9.263 362 HA ASN 52 HA ASN 52 8.977 -7.338 -10.578 363 HB2 ASN 52 1HB ASN 52 10.230 -8.650 -8.681 364 HB3 ASN 52 2HB ASN 52 9.334 -7.574 -7.612 365 HD21 ASN 52 1HD2 ASN 52 9.128 -10.448 -7.911 366 HD22 ASN 52 2HD2 ASN 52 7.490 -10.776 -8.351 367 H GLN 53 H GLN 53 7.776 -5.573 -11.060 368 HA GLN 53 HA GLN 53 7.375 -3.483 -9.083 369 HB2 GLN 53 1HB GLN 53 6.757 -3.823 -11.979 370 HB3 GLN 53 2HB GLN 53 5.783 -2.688 -11.054 371 HG2 GLN 53 1HG GLN 53 8.786 -2.609 -11.138 372 HG3 GLN 53 2HG GLN 53 7.752 -1.704 -12.243 373 HE21 GLN 53 1HE2 GLN 53 8.723 -2.101 -8.907 374 HE22 GLN 53 2HE2 GLN 53 8.204 -0.544 -8.369 375 H ASN 54 H ASN 54 6.320 -6.247 -8.714 376 HA ASN 54 HA ASN 54 3.441 -5.640 -8.595 377 HB2 ASN 54 1HB ASN 54 4.771 -8.354 -8.446 378 HB3 ASN 54 2HB ASN 54 3.042 -8.032 -8.549 379 HD21 ASN 54 1HD2 ASN 54 2.765 -6.257 -10.489 380 HD22 ASN 54 2HD2 ASN 54 3.372 -6.857 -11.991 381 H ILE 55 H ILE 55 6.264 -6.292 -6.743 382 HA ILE 55 HA ILE 55 4.917 -7.099 -4.343 383 HB ILE 55 HB ILE 55 7.736 -6.078 -4.708 384 HG12 ILE 55 1HG1 ILE 55 6.779 -8.932 -4.435 385 HG13 ILE 55 2HG1 ILE 55 7.120 -8.165 -5.983 386 HG21 ILE 55 1HG2 ILE 55 6.189 -6.850 -2.365 387 HG22 ILE 55 2HG2 ILE 55 7.703 -7.740 -2.520 388 HG23 ILE 55 3HG2 ILE 55 7.717 -5.977 -2.476 389 HD11 ILE 55 1HD1 ILE 55 8.930 -9.315 -4.034 390 HD12 ILE 55 2HD1 ILE 55 9.182 -8.948 -5.741 391 HD13 ILE 55 3HD1 ILE 55 9.403 -7.689 -4.526 392 H VAL 56 H VAL 56 3.976 -5.847 -2.875 393 HA VAL 56 HA VAL 56 3.750 -3.048 -3.203 394 HB VAL 56 HB VAL 56 3.084 -4.756 -0.801 395 HG11 VAL 56 1HG1 VAL 56 1.475 -2.765 -0.405 396 HG12 VAL 56 2HG1 VAL 56 3.166 -2.612 0.075 397 HG13 VAL 56 3HG1 VAL 56 2.603 -1.869 -1.422 398 HG21 VAL 56 1HG2 VAL 56 1.241 -3.672 -2.923 399 HG22 VAL 56 2HG2 VAL 56 1.914 -5.302 -2.950 400 HG23 VAL 56 3HG2 VAL 56 0.848 -4.809 -1.633 401 H VAL 57 H VAL 57 5.331 -1.639 -2.856 402 HA VAL 57 HA VAL 57 7.174 -2.111 -0.605 403 HB VAL 57 HB VAL 57 7.597 -0.645 -3.204 404 HG11 VAL 57 1HG1 VAL 57 9.424 -0.713 -0.805 405 HG12 VAL 57 2HG1 VAL 57 9.802 -0.008 -2.378 406 HG13 VAL 57 3HG1 VAL 57 8.528 0.692 -1.380 407 HG21 VAL 57 1HG2 VAL 57 7.934 -3.254 -2.685 408 HG22 VAL 57 2HG2 VAL 57 8.949 -2.356 -3.813 409 HG23 VAL 57 3HG2 VAL 57 9.506 -2.647 -2.165 410 H ARG 58 H ARG 58 6.839 -0.854 1.096 411 HA ARG 58 HA ARG 58 5.256 1.555 0.873 412 HB2 ARG 58 1HB ARG 58 6.392 -0.041 3.138 413 HB3 ARG 58 2HB ARG 58 5.854 1.608 3.426 414 HG2 ARG 58 1HG ARG 58 4.072 -0.410 2.110 415 HG3 ARG 58 2HG ARG 58 4.203 -0.288 3.866 416 HD2 ARG 58 1HD ARG 58 3.660 2.166 3.607 417 HD3 ARG 58 2HD ARG 58 3.262 1.811 1.926 418 HE ARG 58 HE ARG 58 1.751 0.033 3.246 419 HH11 ARG 58 2HH1 ARG 58 2.222 3.456 3.670 420 HH12 ARG 58 1HH1 ARG 58 0.628 3.731 4.288 421 HH21 ARG 58 2HH2 ARG 58 -0.352 0.383 4.060 422 HH22 ARG 58 1HH2 ARG 58 -0.835 1.983 4.511 423 H GLY 59 H GLY 59 8.597 0.691 1.074 424 HA2 GLY 59 1HA GLY 59 9.639 3.090 0.272 425 HA3 GLY 59 2HA GLY 59 9.530 3.235 2.020 426 H TYR 60 H TYR 60 11.934 3.501 1.575 427 HA TYR 60 HA TYR 60 13.201 0.861 1.843 428 HB2 TYR 60 1HB TYR 60 14.599 3.120 0.438 429 HB3 TYR 60 2HB TYR 60 14.958 1.397 0.387 430 HD1 TYR 60 2HD TYR 60 12.657 4.016 -0.822 431 HD2 TYR 60 1HD TYR 60 13.888 -0.040 -1.187 432 HE1 TYR 60 2HE TYR 60 11.349 3.813 -2.895 433 HE2 TYR 60 1HE TYR 60 12.584 -0.255 -3.262 434 HH TYR 60 HH TYR 60 11.755 1.607 -5.115 435 H ALA 61 H ALA 61 15.242 0.890 2.997 436 HA ALA 61 HA ALA 61 15.448 3.170 4.855 437 HB1 ALA 61 1HB ALA 61 15.963 1.719 6.628 438 HB2 ALA 61 2HB ALA 61 14.611 0.955 5.791 439 HB3 ALA 61 3HB ALA 61 16.252 0.359 5.543 440 H ILE 62 H ILE 62 17.160 4.334 4.239 441 HA ILE 62 HA ILE 62 19.512 3.035 3.128 442 HB ILE 62 HB ILE 62 19.060 5.980 3.614 443 HG12 ILE 62 1HG1 ILE 62 18.830 4.704 0.919 444 HG13 ILE 62 2HG1 ILE 62 17.459 4.614 2.019 445 HG21 ILE 62 1HG2 ILE 62 20.828 6.261 1.933 446 HG22 ILE 62 2HG2 ILE 62 21.397 5.380 3.350 447 HG23 ILE 62 3HG2 ILE 62 21.025 4.510 1.862 448 HD11 ILE 62 1HD1 ILE 62 16.852 6.657 1.449 449 HD12 ILE 62 2HD1 ILE 62 18.414 7.293 1.967 450 HD13 ILE 62 3HD1 ILE 62 18.198 6.726 0.312 451 H GLY 63 H GLY 63 21.655 3.439 3.945 452 HA2 GLY 63 1HA GLY 63 21.825 4.367 6.717 453 HA3 GLY 63 2HA GLY 63 22.322 2.716 6.380 454 H TYR 64 H TYR 64 23.745 5.271 7.257 455 HA TYR 64 HA TYR 64 26.014 4.938 5.434 456 HB2 TYR 64 1HB TYR 64 26.408 7.359 5.377 457 HB3 TYR 64 2HB TYR 64 24.841 6.956 4.686 458 HD1 TYR 64 1HD TYR 64 22.775 7.534 5.867 459 HD2 TYR 64 2HD TYR 64 26.581 8.624 7.424 460 HE1 TYR 64 1HE TYR 64 21.687 9.124 7.395 461 HE2 TYR 64 2HE TYR 64 25.504 10.216 8.958 462 HH TYR 64 HH TYR 64 23.597 11.122 9.631 463 H GLY 65 H GLY 65 28.061 5.529 6.352 464 HA2 GLY 65 1HA GLY 65 28.612 6.564 8.821 465 HA3 GLY 65 2HA GLY 65 28.224 4.881 9.145 466 H ILE 66 H ILE 66 30.727 6.029 9.684 467 HA ILE 66 HA ILE 66 32.550 5.309 7.567 468 HB ILE 66 HB ILE 66 33.189 6.007 10.434 469 HG12 ILE 66 1HG1 ILE 66 31.946 7.825 9.392 470 HG13 ILE 66 2HG1 ILE 66 33.638 8.280 9.563 471 HG21 ILE 66 1HG2 ILE 66 35.299 5.589 9.896 472 HG22 ILE 66 2HG2 ILE 66 34.794 5.089 8.282 473 HG23 ILE 66 3HG2 ILE 66 35.207 6.775 8.594 474 HD11 ILE 66 1HD1 ILE 66 33.965 7.639 7.176 475 HD12 ILE 66 2HD1 ILE 66 32.218 7.425 7.058 476 HD13 ILE 66 3HD1 ILE 66 32.889 9.012 7.433 477 H GLY 67 H GLY 67 32.637 3.171 7.142 478 HA2 GLY 67 1HA GLY 67 33.785 1.131 7.634 479 HA3 GLY 67 2HA GLY 67 33.512 1.430 9.344 480 H SER 68 H SER 68 30.763 2.019 9.251 481 HA SER 68 HA SER 68 29.473 -0.287 8.031 482 HB2 SER 68 1HB SER 68 29.951 -1.381 10.029 483 HB3 SER 68 2HB SER 68 29.812 0.093 10.987 484 HG SER 68 HG SER 68 28.018 -1.303 11.278 485 HA PRO 69 HA PRO 69 26.293 2.723 7.505 486 HB2 PRO 69 1HB PRO 69 24.279 1.039 6.814 487 HB3 PRO 69 2HB PRO 69 25.606 1.450 5.720 488 HG2 PRO 69 1HG PRO 69 25.243 -0.982 7.426 489 HG3 PRO 69 2HG PRO 69 25.809 -0.866 5.750 490 HD2 PRO 69 1HD PRO 69 27.501 -1.179 7.840 491 HD3 PRO 69 2HD PRO 69 27.945 -0.273 6.379 492 H HIS 70 H HIS 70 26.192 0.190 9.826 493 HA HIS 70 HA HIS 70 23.675 0.499 10.964 494 HB2 HIS 70 1HB HIS 70 24.465 -0.748 12.739 495 HB3 HIS 70 2HB HIS 70 25.651 -1.154 11.501 496 HD1 HIS 70 1HD HIS 70 25.827 -0.840 14.824 497 HD2 HIS 70 2HD HIS 70 27.664 1.390 11.839 498 HE1 HIS 70 1HE HIS 70 27.844 0.201 15.907 499 HE2 HIS 70 2HE HIS 70 28.891 1.614 14.104 500 H ALA 71 H ALA 71 26.338 2.651 10.941 501 HA ALA 71 HA ALA 71 26.147 4.075 13.274 502 HB1 ALA 71 1HB ALA 71 26.703 5.001 10.471 503 HB2 ALA 71 2HB ALA 71 26.795 6.085 11.859 504 HB3 ALA 71 3HB ALA 71 27.851 4.675 11.770 505 H GLN 72 H GLN 72 24.465 5.046 10.277 506 HA GLN 72 HA GLN 72 22.206 5.942 11.928 507 HB2 GLN 72 1HB GLN 72 23.818 7.521 9.981 508 HB3 GLN 72 2HB GLN 72 22.087 7.819 10.052 509 HG2 GLN 72 1HG GLN 72 24.140 8.201 12.198 510 HG3 GLN 72 2HG GLN 72 23.039 9.386 11.498 511 HE21 GLN 72 1HE2 GLN 72 23.618 7.552 14.147 512 HE22 GLN 72 2HE2 GLN 72 22.025 7.478 14.809 513 H THR 73 H THR 73 20.173 6.011 10.846 514 HA THR 73 HA THR 73 20.057 4.702 8.227 515 HB THR 73 HB THR 73 18.426 3.793 10.607 516 HG1 THR 73 1HG THR 73 19.731 2.027 10.623 517 HG21 THR 73 1HG2 THR 73 18.342 3.178 7.687 518 HG22 THR 73 2HG2 THR 73 17.016 3.386 8.832 519 HG23 THR 73 3HG2 THR 73 17.964 1.899 8.841 520 H ILE 74 H ILE 74 18.623 5.627 6.903 521 HA ILE 74 HA ILE 74 16.554 7.359 8.092 522 HB ILE 74 HB ILE 74 18.034 7.809 5.497 523 HG12 ILE 74 1HG1 ILE 74 18.105 9.431 8.048 524 HG13 ILE 74 2HG1 ILE 74 19.337 8.260 7.591 525 HG21 ILE 74 1HG2 ILE 74 15.530 8.833 6.529 526 HG22 ILE 74 2HG2 ILE 74 16.684 10.124 6.197 527 HG23 ILE 74 3HG2 ILE 74 16.236 8.991 4.921 528 HD11 ILE 74 1HD1 ILE 74 20.198 9.599 5.963 529 HD12 ILE 74 2HD1 ILE 74 18.664 10.420 5.670 530 HD13 ILE 74 3HD1 ILE 74 19.621 10.820 7.096 531 H LYS 75 H LYS 75 14.536 6.813 7.619 532 HA LYS 75 HA LYS 75 14.063 5.074 5.289 533 HB2 LYS 75 1HB LYS 75 12.518 5.314 7.876 534 HB3 LYS 75 2HB LYS 75 12.016 4.331 6.506 535 HG2 LYS 75 1HG LYS 75 14.434 3.308 6.816 536 HG3 LYS 75 2HG LYS 75 14.197 3.889 8.466 537 HD2 LYS 75 1HD LYS 75 11.874 2.699 8.222 538 HD3 LYS 75 2HD LYS 75 12.702 1.794 6.952 539 HE2 LYS 75 1HE LYS 75 13.129 0.463 8.770 540 HE3 LYS 75 2HE LYS 75 14.547 1.510 8.794 541 HZ1 LYS 75 1HZ LYS 75 13.223 2.945 10.377 542 HZ2 LYS 75 2HZ LYS 75 13.763 1.462 10.984 543 HZ3 LYS 75 3HZ LYS 75 12.147 1.647 10.519 544 H VAL 76 H VAL 76 12.790 5.791 3.703 545 HA VAL 76 HA VAL 76 10.985 8.048 4.246 546 HB VAL 76 HB VAL 76 11.562 9.001 2.023 547 HG11 VAL 76 1HG1 VAL 76 14.163 8.975 3.404 548 HG12 VAL 76 2HG1 VAL 76 13.133 10.332 2.942 549 HG13 VAL 76 3HG1 VAL 76 12.772 9.407 4.400 550 HG21 VAL 76 1HG2 VAL 76 12.934 6.561 1.722 551 HG22 VAL 76 2HG2 VAL 76 12.833 7.896 0.574 552 HG23 VAL 76 3HG2 VAL 76 14.157 7.832 1.737 553 H ASP 77 H ASP 77 9.502 8.395 2.260 554 HA ASP 77 HA ASP 77 7.995 6.036 1.892 555 HB2 ASP 77 1HB ASP 77 6.744 7.451 0.189 556 HB3 ASP 77 2HB ASP 77 6.815 8.093 1.828 557 H TYR 78 H TYR 78 7.245 5.491 -0.475 558 HA TYR 78 HA TYR 78 9.564 4.431 -1.793 559 HB2 TYR 78 1HB TYR 78 7.897 3.460 -3.375 560 HB3 TYR 78 2HB TYR 78 7.578 3.066 -1.690 561 HD1 TYR 78 1HD TYR 78 6.484 5.129 -4.546 562 HD2 TYR 78 2HD TYR 78 5.579 3.798 -0.607 563 HE1 TYR 78 1HE TYR 78 4.199 6.007 -4.781 564 HE2 TYR 78 2HE TYR 78 3.291 4.671 -0.832 565 HH TYR 78 HH TYR 78 2.239 6.685 -2.429 566 H LYS 79 H LYS 79 7.168 6.930 -2.481 567 HA LYS 79 HA LYS 79 7.646 7.552 -5.086 568 HB2 LYS 79 1HB LYS 79 7.231 9.435 -2.761 569 HB3 LYS 79 2HB LYS 79 7.192 9.948 -4.443 570 HG2 LYS 79 1HG LYS 79 5.215 8.836 -4.876 571 HG3 LYS 79 2HG LYS 79 5.424 7.725 -3.520 572 HD2 LYS 79 1HD LYS 79 5.207 9.830 -2.047 573 HD3 LYS 79 2HD LYS 79 4.538 10.591 -3.493 574 HE2 LYS 79 1HE LYS 79 2.916 8.657 -3.602 575 HE3 LYS 79 2HE LYS 79 3.482 8.201 -1.997 576 HZ1 LYS 79 1HZ LYS 79 1.471 9.949 -2.542 577 HZ2 LYS 79 2HZ LYS 79 2.769 10.968 -2.171 578 HZ3 LYS 79 3HZ LYS 79 2.271 9.795 -1.059 579 H GLN 80 H GLN 80 9.689 8.317 -2.324 580 HA GLN 80 HA GLN 80 11.486 10.016 -3.711 581 HB2 GLN 80 1HB GLN 80 11.675 8.462 -1.141 582 HB3 GLN 80 2HB GLN 80 13.034 9.393 -1.755 583 HG2 GLN 80 1HG GLN 80 10.385 10.357 -0.766 584 HG3 GLN 80 2HG GLN 80 12.005 10.834 -0.262 585 HE21 GLN 80 1HE2 GLN 80 9.410 11.407 -2.412 586 HE22 GLN 80 2HE2 GLN 80 10.107 12.739 -3.262 587 H ARG 81 H ARG 81 13.026 9.534 -5.124 588 HA ARG 81 HA ARG 81 13.813 6.719 -5.425 589 HB2 ARG 81 1HB ARG 81 14.219 7.121 -7.688 590 HB3 ARG 81 2HB ARG 81 12.791 8.092 -7.357 591 HG2 ARG 81 1HG ARG 81 13.884 10.054 -7.647 592 HG3 ARG 81 2HG ARG 81 15.416 9.417 -7.045 593 HD2 ARG 81 1HD ARG 81 15.950 9.581 -9.249 594 HD3 ARG 81 2HD ARG 81 15.239 7.968 -9.263 595 HE ARG 81 HE ARG 81 13.531 8.777 -10.549 596 HH11 ARG 81 2HH1 ARG 81 15.194 11.450 -9.064 597 HH12 ARG 81 1HH1 ARG 81 14.324 12.656 -9.954 598 HH21 ARG 81 2HH2 ARG 81 12.379 10.354 -11.727 599 HH22 ARG 81 1HH2 ARG 81 12.722 12.031 -11.467 600 H TYR 82 H TYR 82 14.917 9.670 -4.255 601 HA TYR 82 HA TYR 82 17.572 8.607 -3.861 602 HB2 TYR 82 1HB TYR 82 18.791 10.330 -4.956 603 HB3 TYR 82 2HB TYR 82 17.610 9.749 -6.124 604 HD1 TYR 82 2HD TYR 82 15.273 11.090 -5.977 605 HD2 TYR 82 1HD TYR 82 19.075 12.610 -4.818 606 HE1 TYR 82 2HE TYR 82 14.443 13.385 -6.284 607 HE2 TYR 82 1HE TYR 82 18.255 14.909 -5.121 608 HH TYR 82 HH TYR 82 15.977 15.843 -6.801 609 H TYR 83 H TYR 83 18.850 9.915 -2.379 610 HA TYR 83 HA TYR 83 17.330 11.920 -0.878 611 HB2 TYR 83 1HB TYR 83 17.098 9.624 0.178 612 HB3 TYR 83 2HB TYR 83 18.826 9.693 0.506 613 HD1 TYR 83 1HD TYR 83 15.560 11.206 1.299 614 HD2 TYR 83 2HD TYR 83 19.697 11.040 2.280 615 HE1 TYR 83 1HE TYR 83 15.109 12.431 3.384 616 HE2 TYR 83 2HE TYR 83 19.257 12.264 4.367 617 HH TYR 83 HH TYR 83 16.296 13.827 4.992 618 H THR 84 H THR 84 18.515 13.649 -0.389 619 HA THR 84 HA THR 84 21.385 13.566 -0.924 620 HB THR 84 HB THR 84 19.531 15.907 -0.452 621 HG1 THR 84 1HG THR 84 20.921 15.188 -2.825 622 HG21 THR 84 1HG2 THR 84 22.406 15.726 -0.325 623 HG22 THR 84 2HG2 THR 84 21.357 17.108 -0.008 624 HG23 THR 84 3HG2 THR 84 21.906 16.776 -1.651 625 H ILE 85 H ILE 85 22.437 12.784 0.827 626 HA ILE 85 HA ILE 85 21.685 13.503 3.510 627 HB ILE 85 HB ILE 85 24.193 12.090 2.601 628 HG12 ILE 85 1HG1 ILE 85 21.630 10.818 3.568 629 HG13 ILE 85 2HG1 ILE 85 22.013 11.023 1.862 630 HG21 ILE 85 1HG2 ILE 85 24.205 13.021 4.898 631 HG22 ILE 85 2HG2 ILE 85 22.789 12.038 5.267 632 HG23 ILE 85 3HG2 ILE 85 24.318 11.262 4.856 633 HD11 ILE 85 1HD1 ILE 85 22.510 8.768 2.925 634 HD12 ILE 85 2HD1 ILE 85 23.791 9.513 1.968 635 HD13 ILE 85 3HD1 ILE 85 23.856 9.576 3.729 636 H GLU 86 H GLU 86 22.473 15.100 4.735 637 HA GLU 86 HA GLU 86 24.843 16.556 3.760 638 HB2 GLU 86 1HB GLU 86 22.308 17.679 4.957 639 HB3 GLU 86 2HB GLU 86 23.779 18.616 4.739 640 HG2 GLU 86 1HG GLU 86 23.611 17.926 2.273 641 HG3 GLU 86 2HG GLU 86 21.950 17.482 2.661 642 H ASN 87 H ASN 87 25.743 18.013 5.576 643 HA ASN 87 HA ASN 87 26.693 18.233 7.635 644 HB2 ASN 87 1HB ASN 87 24.675 16.248 8.682 645 HB3 ASN 87 2HB ASN 87 25.531 17.497 9.581 646 HD21 ASN 87 1HD2 ASN 87 22.613 16.736 8.597 647 HD22 ASN 87 2HD2 ASN 87 21.947 18.294 8.262 648 H LEU 88 H LEU 88 28.007 16.640 5.964 649 HA LEU 88 HA LEU 88 28.824 14.343 7.621 650 HB2 LEU 88 1HB LEU 88 29.060 14.567 4.626 651 HB3 LEU 88 2HB LEU 88 29.441 13.161 5.619 652 HG LEU 88 HG LEU 88 26.654 14.265 5.493 653 HD11 LEU 88 1HD1 LEU 88 26.199 13.336 3.505 654 HD12 LEU 88 2HD1 LEU 88 27.252 11.952 3.795 655 HD13 LEU 88 3HD1 LEU 88 27.936 13.477 3.232 656 HD21 LEU 88 1HD2 LEU 88 26.233 11.759 5.888 657 HD22 LEU 88 2HD2 LEU 88 26.846 12.726 7.229 658 HD23 LEU 88 3HD2 LEU 88 27.942 11.687 6.317 659 H ASP 89 H ASP 89 31.148 13.626 6.907 660 HA ASP 89 HA ASP 89 32.823 16.027 7.091 661 HB2 ASP 89 1HB ASP 89 33.154 13.184 7.970 662 HB3 ASP 89 2HB ASP 89 34.588 14.160 7.664 663 HA PRO 90 HA PRO 90 33.986 15.343 2.852 664 HB2 PRO 90 1HB PRO 90 35.820 17.342 2.734 665 HB3 PRO 90 2HB PRO 90 34.078 17.632 2.674 666 HG2 PRO 90 1HG PRO 90 35.959 17.868 4.990 667 HG3 PRO 90 2HG PRO 90 34.647 18.955 4.499 668 HD2 PRO 90 1HD PRO 90 34.375 17.158 6.506 669 HD3 PRO 90 2HD PRO 90 33.022 17.633 5.459 670 H SER 91 H SER 91 35.798 14.584 1.694 671 HA SER 91 HA SER 91 37.691 13.362 1.382 672 HB2 SER 91 1HB SER 91 38.775 15.464 2.145 673 HB3 SER 91 2HB SER 91 38.718 14.865 3.802 674 HG SER 91 HG SER 91 39.890 13.238 1.859 675 H SER 92 H SER 92 35.786 11.924 2.541 676 HA SER 92 HA SER 92 37.288 10.073 4.184 677 HB2 SER 92 1HB SER 92 34.862 11.537 5.211 678 HB3 SER 92 2HB SER 92 35.340 9.967 5.855 679 HG SER 92 HG SER 92 36.986 10.862 6.838 680 H HIS 93 H HIS 93 36.521 7.978 4.079 681 HA HIS 93 HA HIS 93 34.725 7.430 1.889 682 HB2 HIS 93 1HB HIS 93 36.562 5.971 1.956 683 HB3 HIS 93 2HB HIS 93 36.424 5.729 3.695 684 HD1 HIS 93 1HD HIS 93 36.303 3.176 3.490 685 HD2 HIS 93 2HD HIS 93 33.301 5.165 1.418 686 HE1 HIS 93 1HE HIS 93 34.644 1.401 2.841 687 HE2 HIS 93 2HE HIS 93 32.880 2.615 1.515 688 H TYR 94 H TYR 94 32.642 6.861 2.006 689 HA TYR 94 HA TYR 94 31.526 6.205 4.651 690 HB2 TYR 94 1HB TYR 94 30.584 8.180 2.612 691 HB3 TYR 94 2HB TYR 94 29.394 7.353 3.610 692 HD1 TYR 94 1HD TYR 94 29.337 7.718 6.037 693 HD2 TYR 94 2HD TYR 94 32.053 9.843 3.545 694 HE1 TYR 94 1HE TYR 94 29.730 9.331 7.852 695 HE2 TYR 94 2HE TYR 94 32.455 11.461 5.353 696 HH TYR 94 HH TYR 94 31.193 10.972 8.572 697 H VAL 95 H VAL 95 30.317 4.417 4.742 698 HA VAL 95 HA VAL 95 29.849 2.947 2.262 699 HB VAL 95 HB VAL 95 29.540 2.057 5.133 700 HG11 VAL 95 1HG1 VAL 95 29.082 0.696 2.515 701 HG12 VAL 95 2HG1 VAL 95 29.648 -0.239 3.901 702 HG13 VAL 95 3HG1 VAL 95 28.121 0.641 3.992 703 HG21 VAL 95 1HG2 VAL 95 31.870 2.540 3.798 704 HG22 VAL 95 2HG2 VAL 95 31.684 1.396 5.127 705 HG23 VAL 95 3HG2 VAL 95 31.606 0.830 3.459 706 H ILE 96 H ILE 96 27.980 3.320 1.270 707 HA ILE 96 HA ILE 96 25.606 3.966 2.862 708 HB ILE 96 HB ILE 96 26.265 4.327 -0.049 709 HG12 ILE 96 1HG1 ILE 96 25.301 6.677 0.736 710 HG13 ILE 96 2HG1 ILE 96 25.781 6.075 2.319 711 HG21 ILE 96 1HG2 ILE 96 23.607 4.116 1.247 712 HG22 ILE 96 2HG2 ILE 96 23.830 5.386 0.044 713 HG23 ILE 96 3HG2 ILE 96 24.106 3.700 -0.393 714 HD11 ILE 96 1HD1 ILE 96 27.727 5.968 0.070 715 HD12 ILE 96 2HD1 ILE 96 27.422 7.499 0.891 716 HD13 ILE 96 3HD1 ILE 96 28.013 6.111 1.804 717 H THR 97 H THR 97 23.738 2.773 2.783 718 HA THR 97 HA THR 97 23.717 0.346 1.137 719 HB THR 97 HB THR 97 22.882 -0.992 3.038 720 HG1 THR 97 1HG THR 97 23.079 -0.103 5.144 721 HG21 THR 97 1HG2 THR 97 25.396 -0.648 2.397 722 HG22 THR 97 2HG2 THR 97 24.972 -1.513 3.875 723 HG23 THR 97 3HG2 THR 97 25.476 0.174 3.955 724 H LEU 98 H LEU 98 21.626 -0.526 0.746 725 HA LEU 98 HA LEU 98 19.338 1.069 1.612 726 HB2 LEU 98 1HB LEU 98 19.797 2.162 -0.407 727 HB3 LEU 98 2HB LEU 98 20.214 0.658 -1.226 728 HG LEU 98 HG LEU 98 17.671 0.112 -0.803 729 HD11 LEU 98 1HD1 LEU 98 16.345 2.229 -1.118 730 HD12 LEU 98 2HD1 LEU 98 17.800 3.114 -0.663 731 HD13 LEU 98 3HD1 LEU 98 17.051 2.002 0.482 732 HD21 LEU 98 1HD2 LEU 98 18.894 1.825 -2.939 733 HD22 LEU 98 2HD2 LEU 98 17.197 1.349 -3.003 734 HD23 LEU 98 3HD2 LEU 98 18.460 0.117 -2.997 735 H LYS 99 H LYS 99 17.508 -0.097 1.895 736 HA LYS 99 HA LYS 99 17.360 -2.801 0.783 737 HB2 LYS 99 1HB LYS 99 16.753 -3.770 2.927 738 HB3 LYS 99 2HB LYS 99 18.338 -3.015 3.038 739 HG2 LYS 99 1HG LYS 99 17.555 -1.266 4.346 740 HG3 LYS 99 2HG LYS 99 15.879 -1.521 3.856 741 HD2 LYS 99 1HD LYS 99 15.969 -2.348 6.042 742 HD3 LYS 99 2HD LYS 99 16.082 -3.791 5.032 743 HE2 LYS 99 1HE LYS 99 18.402 -3.991 5.407 744 HE3 LYS 99 2HE LYS 99 18.514 -2.362 6.071 745 HZ1 LYS 99 1HZ LYS 99 16.693 -3.688 7.654 746 HZ2 LYS 99 2HZ LYS 99 18.284 -3.280 8.060 747 HZ3 LYS 99 3HZ LYS 99 17.943 -4.801 7.404 748 H ALA 100 H ALA 100 15.319 -3.480 0.298 749 HA ALA 100 HA ALA 100 13.240 -1.462 0.370 750 HB1 ALA 100 1HB ALA 100 12.043 -2.843 -1.150 751 HB2 ALA 100 2HB ALA 100 13.734 -2.865 -1.651 752 HB3 ALA 100 3HB ALA 100 13.056 -4.239 -0.778 753 H PHE 101 H PHE 101 11.419 -1.500 1.578 754 HA PHE 101 HA PHE 101 10.903 -3.860 3.248 755 HB2 PHE 101 1HB PHE 101 10.586 -2.542 5.215 756 HB3 PHE 101 2HB PHE 101 12.136 -2.066 4.528 757 HD1 PHE 101 1HD PHE 101 8.541 -1.092 4.479 758 HD2 PHE 101 2HD PHE 101 12.599 0.173 4.261 759 HE1 PHE 101 1HE PHE 101 7.804 1.256 4.461 760 HE2 PHE 101 2HE PHE 101 11.869 2.523 4.245 761 HZ PHE 101 HZ PHE 101 9.469 3.067 4.345 762 H ASN 102 H ASN 102 8.695 -3.729 4.288 763 HA ASN 102 HA ASN 102 6.704 -2.026 3.212 764 HB2 ASN 102 1HB ASN 102 5.547 -3.493 1.728 765 HB3 ASN 102 2HB ASN 102 7.234 -3.497 1.222 766 HD21 ASN 102 1HD2 ASN 102 5.226 -5.482 0.699 767 HD22 ASN 102 2HD2 ASN 102 5.789 -6.960 1.395 768 H ASN 103 H ASN 103 4.426 -3.126 3.612 769 HA ASN 103 HA ASN 103 4.095 -3.457 6.320 770 HB2 ASN 103 1HB ASN 103 2.361 -3.151 4.360 771 HB3 ASN 103 2HB ASN 103 2.244 -4.905 4.466 772 HD21 ASN 103 1HD2 ASN 103 -0.018 -3.926 4.956 773 HD22 ASN 103 2HD2 ASN 103 -0.386 -3.763 6.636 774 H VAL 104 H VAL 104 5.055 -5.808 3.958 775 HA VAL 104 HA VAL 104 4.506 -8.114 5.568 776 HB VAL 104 HB VAL 104 6.341 -7.855 3.182 777 HG11 VAL 104 1HG1 VAL 104 5.958 -9.981 4.998 778 HG12 VAL 104 2HG1 VAL 104 5.161 -10.436 3.490 779 HG13 VAL 104 3HG1 VAL 104 6.868 -9.989 3.487 780 HG21 VAL 104 1HG2 VAL 104 3.443 -8.679 3.345 781 HG22 VAL 104 2HG2 VAL 104 4.070 -7.200 2.617 782 HG23 VAL 104 3HG2 VAL 104 4.450 -8.765 1.899 783 H GLY 105 H GLY 105 7.403 -6.210 4.807 784 HA2 GLY 105 1HA GLY 105 8.661 -6.320 7.208 785 HA3 GLY 105 2HA GLY 105 9.094 -7.855 6.469 786 H GLU 106 H GLU 106 11.298 -7.189 6.498 787 HA GLU 106 HA GLU 106 11.950 -5.149 4.474 788 HB2 GLU 106 1HB GLU 106 13.850 -6.094 6.605 789 HB3 GLU 106 2HB GLU 106 13.923 -4.621 5.648 790 HG2 GLU 106 1HG GLU 106 11.740 -3.983 6.838 791 HG3 GLU 106 2HG GLU 106 12.159 -5.261 7.977 792 H GLY 107 H GLY 107 13.889 -5.540 3.187 793 HA2 GLY 107 1HA GLY 107 14.187 -8.416 2.615 794 HA3 GLY 107 2HA GLY 107 14.427 -7.124 1.448 795 H ILE 108 H ILE 108 16.492 -7.712 0.859 796 HA ILE 108 HA ILE 108 18.532 -7.738 2.972 797 HB ILE 108 HB ILE 108 19.941 -8.456 0.816 798 HG12 ILE 108 1HG1 ILE 108 17.710 -8.223 -0.504 799 HG13 ILE 108 2HG1 ILE 108 18.740 -9.617 -0.809 800 HG21 ILE 108 1HG2 ILE 108 18.163 -10.316 2.387 801 HG22 ILE 108 2HG2 ILE 108 19.618 -10.773 1.503 802 HG23 ILE 108 3HG2 ILE 108 19.736 -9.709 2.904 803 HD11 ILE 108 1HD1 ILE 108 16.250 -10.033 -0.577 804 HD12 ILE 108 2HD1 ILE 108 17.325 -11.054 0.378 805 HD13 ILE 108 3HD1 ILE 108 16.469 -9.716 1.143 806 HA PRO 109 HA PRO 109 19.659 -3.636 1.676 807 HB2 PRO 109 1HB PRO 109 21.824 -3.405 3.297 808 HB3 PRO 109 2HB PRO 109 20.164 -3.249 3.883 809 HG2 PRO 109 1HG PRO 109 22.004 -5.607 4.011 810 HG3 PRO 109 2HG PRO 109 20.920 -4.965 5.259 811 HD2 PRO 109 1HD PRO 109 20.285 -7.118 3.745 812 HD3 PRO 109 2HD PRO 109 19.063 -5.979 4.345 813 H LEU 110 H LEU 110 21.524 -2.567 0.713 814 HA LEU 110 HA LEU 110 23.284 -4.476 -0.675 815 HB2 LEU 110 1HB LEU 110 22.271 -1.770 -1.524 816 HB3 LEU 110 2HB LEU 110 23.498 -2.682 -2.400 817 HG LEU 110 HG LEU 110 20.781 -3.847 -1.891 818 HD11 LEU 110 1HD1 LEU 110 21.536 -1.701 -3.788 819 HD12 LEU 110 2HD1 LEU 110 19.989 -2.041 -3.012 820 HD13 LEU 110 3HD1 LEU 110 20.510 -3.001 -4.397 821 HD21 LEU 110 1HD2 LEU 110 21.642 -4.678 -4.328 822 HD22 LEU 110 2HD2 LEU 110 21.909 -5.552 -2.819 823 HD23 LEU 110 3HD2 LEU 110 23.170 -4.501 -3.465 824 H TYR 111 H TYR 111 25.432 -3.597 -1.301 825 HA TYR 111 HA TYR 111 26.472 -1.800 0.792 826 HB2 TYR 111 1HB TYR 111 27.528 -4.359 -0.322 827 HB3 TYR 111 2HB TYR 111 28.684 -3.129 0.176 828 HD1 TYR 111 2HD TYR 111 25.473 -4.438 1.587 829 HD2 TYR 111 1HD TYR 111 29.589 -3.584 2.240 830 HE1 TYR 111 2HE TYR 111 25.251 -5.181 3.921 831 HE2 TYR 111 1HE TYR 111 29.379 -4.326 4.576 832 HH TYR 111 HH TYR 111 26.263 -5.143 5.970 833 H GLU 112 H GLU 112 26.821 0.121 -0.119 834 HA GLU 112 HA GLU 112 28.106 0.192 -2.770 835 HB2 GLU 112 1HB GLU 112 25.721 1.247 -2.262 836 HB3 GLU 112 2HB GLU 112 26.702 2.583 -1.676 837 HG2 GLU 112 1HG GLU 112 25.917 2.663 -4.094 838 HG3 GLU 112 2HG GLU 112 27.619 2.995 -3.775 839 H SER 113 H SER 113 29.273 2.423 -3.061 840 HA SER 113 HA SER 113 30.714 3.160 -0.618 841 HB2 SER 113 1HB SER 113 32.877 3.034 -1.812 842 HB3 SER 113 2HB SER 113 32.097 1.456 -1.699 843 HG SER 113 HG SER 113 32.683 2.980 -3.909 844 H ALA 114 H ALA 114 31.615 5.238 -0.633 845 HA ALA 114 HA ALA 114 31.520 6.922 -2.942 846 HB1 ALA 114 1HB ALA 114 29.750 8.348 -2.424 847 HB2 ALA 114 2HB ALA 114 29.095 6.739 -2.120 848 HB3 ALA 114 3HB ALA 114 29.623 7.745 -0.771 849 H VAL 115 H VAL 115 33.395 7.934 -2.660 850 HA VAL 115 HA VAL 115 34.267 8.683 0.024 851 HB VAL 115 HB VAL 115 35.767 8.933 -2.586 852 HG11 VAL 115 1HG1 VAL 115 36.448 10.388 -0.626 853 HG12 VAL 115 2HG1 VAL 115 36.892 8.894 0.203 854 HG13 VAL 115 3HG1 VAL 115 37.701 9.346 -1.299 855 HG21 VAL 115 1HG2 VAL 115 35.254 6.646 -0.846 856 HG22 VAL 115 2HG2 VAL 115 35.855 6.697 -2.503 857 HG23 VAL 115 3HG2 VAL 115 36.967 6.928 -1.154 858 H THR 116 H THR 116 33.437 10.556 0.713 859 HA THR 116 HA THR 116 32.452 12.647 -0.803 860 HB THR 116 HB THR 116 32.866 14.084 1.234 861 HG1 THR 116 1HG THR 116 34.072 13.321 2.812 862 HG21 THR 116 1HG2 THR 116 31.433 12.503 2.738 863 HG22 THR 116 2HG2 THR 116 31.397 11.479 1.303 864 HG23 THR 116 3HG2 THR 116 30.761 13.122 1.231 865 H ARG 117 H ARG 117 33.286 14.417 -1.779 866 HA ARG 117 HA ARG 117 36.025 14.443 -2.485 867 HB2 ARG 117 1HB ARG 117 33.827 16.483 -2.821 868 HB3 ARG 117 2HB ARG 117 35.453 16.718 -3.450 869 HG2 ARG 117 1HG ARG 117 35.226 14.765 -4.860 870 HG3 ARG 117 2HG ARG 117 33.630 14.436 -4.182 871 HD2 ARG 117 1HD ARG 117 33.096 16.856 -4.982 872 HD3 ARG 117 2HD ARG 117 34.495 16.622 -6.029 873 HE ARG 117 HE ARG 117 31.907 15.385 -6.282 874 HH11 ARG 117 2HH1 ARG 117 35.289 15.174 -7.080 875 HH12 ARG 117 1HH1 ARG 117 35.031 14.178 -8.474 876 HH21 ARG 117 2HH2 ARG 117 31.555 14.075 -8.115 877 HH22 ARG 117 1HH2 ARG 117 32.907 13.554 -9.063 878 HA PRO 118 HA PRO 118 37.879 16.702 0.798 879 HB2 PRO 118 1HB PRO 118 39.924 17.890 -0.535 880 HB3 PRO 118 2HB PRO 118 39.899 16.164 -0.157 881 HG2 PRO 118 1HG PRO 118 39.208 17.552 -2.717 882 HG3 PRO 118 2HG PRO 118 40.147 16.069 -2.467 883 HD2 PRO 118 1HD PRO 118 37.550 16.037 -3.233 884 HD3 PRO 118 2HD PRO 118 38.261 14.767 -2.216 885 H HIS 119 H HIS 119 37.308 18.543 1.759 886 HA HIS 119 HA HIS 119 36.076 20.666 0.283 887 HB2 HIS 119 1HB HIS 119 35.569 19.833 2.698 888 HB3 HIS 119 2HB HIS 119 36.895 20.895 3.163 889 HD1 HIS 119 1HD HIS 119 36.385 23.361 1.527 890 HD2 HIS 119 2HD HIS 119 33.335 21.208 3.349 891 HE1 HIS 119 1HE HIS 119 34.476 24.979 1.776 892 HE2 HIS 119 2HE HIS 119 32.672 23.677 2.957 893 H THR 120 H THR 120 37.902 21.201 -1.095 894 HA THR 120 HA THR 120 40.105 22.607 0.219 895 HB THR 120 HB THR 120 40.654 20.977 -1.562 896 HG1 THR 120 1HG THR 120 41.324 23.692 -1.702 897 HG21 THR 120 1HG2 THR 120 39.967 21.180 -3.760 898 HG22 THR 120 2HG2 THR 120 39.611 22.900 -3.600 899 HG23 THR 120 3HG2 THR 120 38.524 21.704 -2.894 900 H SER 121 H SER 121 37.432 23.150 -2.010 901 HA SER 121 HA SER 121 38.118 25.949 -2.344 902 HB2 SER 121 1HB SER 121 37.207 24.737 -4.260 903 HB3 SER 121 2HB SER 121 35.749 24.350 -3.346 904 HG SER 121 HG SER 121 36.626 26.980 -3.956 905 H GLY 122 H GLY 122 36.364 27.605 -2.018 906 HA2 GLY 122 1HA GLY 122 34.396 27.032 0.021 907 HA3 GLY 122 2HA GLY 122 35.738 28.018 0.581 908 HA PRO 123 HA PRO 123 32.547 30.941 -0.969 909 HB2 PRO 123 1HB PRO 123 32.991 32.788 0.970 910 HB3 PRO 123 2HB PRO 123 31.909 31.407 1.188 911 HG2 PRO 123 1HG PRO 123 34.742 31.754 2.090 912 HG3 PRO 123 2HG PRO 123 33.364 31.066 2.969 913 HD2 PRO 123 1HD PRO 123 35.244 29.527 1.774 914 HD3 PRO 123 2HD PRO 123 33.547 29.026 1.913 915 H SER 124 H SER 124 35.891 30.873 -0.718 916 HA SER 124 HA SER 124 36.569 33.554 -1.298 917 HB2 SER 124 1HB SER 124 38.121 31.702 -0.480 918 HB3 SER 124 2HB SER 124 38.167 31.138 -2.150 919 HG SER 124 HG SER 124 38.819 33.783 -1.362 920 H SER 125 H SER 125 36.126 34.676 -3.063 921 HA SER 125 HA SER 125 36.642 33.742 -5.681 922 HB2 SER 125 1HB SER 125 34.659 32.473 -5.628 923 HB3 SER 125 2HB SER 125 33.780 33.719 -4.742 924 HG SER 125 HG SER 125 33.971 33.370 -7.384 925 H GLY 126 H GLY 126 36.974 35.445 -6.988 926 HA2 GLY 126 1HA GLY 126 37.078 38.043 -6.060 927 HA3 GLY 126 2HA GLY 126 37.002 37.609 -7.761 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -47.225 -16.212 0.387 2 HA2 GLY 1 1HA GLY 1 -47.799 -13.388 0.686 3 HA3 GLY 1 2HA GLY 1 -46.546 -13.995 1.759 4 H SER 2 H SER 2 -45.172 -12.446 0.633 5 HA SER 2 HA SER 2 -43.858 -13.716 -1.628 6 HB2 SER 2 1HB SER 2 -43.825 -11.591 -2.932 7 HB3 SER 2 2HB SER 2 -45.446 -12.265 -2.754 8 HG SER 2 HG SER 2 -44.919 -9.873 -2.270 9 H SER 3 H SER 3 -41.879 -12.270 -2.269 10 HA SER 3 HA SER 3 -40.742 -10.880 0.028 11 HB2 SER 3 1HB SER 3 -39.621 -13.416 -1.154 12 HB3 SER 3 2HB SER 3 -38.599 -12.265 -0.294 13 HG SER 3 HG SER 3 -40.389 -14.073 0.684 14 H GLY 4 H GLY 4 -38.483 -10.027 -0.569 15 HA2 GLY 4 1HA GLY 4 -38.018 -9.612 -3.394 16 HA3 GLY 4 2HA GLY 4 -38.579 -8.183 -2.539 17 H SER 5 H SER 5 -36.505 -7.283 -3.227 18 HA SER 5 HA SER 5 -34.590 -7.405 -1.122 19 HB2 SER 5 1HB SER 5 -32.670 -8.195 -2.448 20 HB3 SER 5 2HB SER 5 -33.912 -9.441 -2.318 21 HG SER 5 HG SER 5 -34.517 -9.051 -4.405 22 H SER 6 H SER 6 -32.542 -6.098 -1.826 23 HA SER 6 HA SER 6 -33.294 -3.966 -3.699 24 HB2 SER 6 1HB SER 6 -32.673 -3.701 -0.791 25 HB3 SER 6 2HB SER 6 -32.096 -2.440 -1.881 26 HG SER 6 HG SER 6 -34.699 -3.131 -1.168 27 H GLY 7 H GLY 7 -31.345 -2.449 -4.044 28 HA2 GLY 7 1HA GLY 7 -28.765 -2.733 -3.633 29 HA3 GLY 7 2HA GLY 7 -29.045 -4.174 -4.599 30 HA PRO 8 HA PRO 8 -29.546 -0.107 -7.256 31 HB2 PRO 8 1HB PRO 8 -27.712 1.766 -6.552 32 HB3 PRO 8 2HB PRO 8 -29.350 1.728 -5.887 33 HG2 PRO 8 1HG PRO 8 -26.796 0.725 -4.690 34 HG3 PRO 8 2HG PRO 8 -28.112 1.631 -3.921 35 HD2 PRO 8 1HD PRO 8 -27.837 -1.050 -3.652 36 HD3 PRO 8 2HD PRO 8 -29.421 -0.248 -3.659 37 H ALA 9 H ALA 9 -27.707 1.105 -8.620 38 HA ALA 9 HA ALA 9 -25.954 -1.018 -9.531 39 HB1 ALA 9 1HB ALA 9 -27.209 0.229 -11.186 40 HB2 ALA 9 2HB ALA 9 -26.464 1.736 -10.650 41 HB3 ALA 9 3HB ALA 9 -25.479 0.488 -11.415 42 H THR 10 H THR 10 -24.412 -1.136 -7.873 43 HA THR 10 HA THR 10 -22.383 0.968 -8.004 44 HB THR 10 HB THR 10 -22.048 0.844 -5.532 45 HG1 THR 10 1HG THR 10 -24.654 -0.193 -5.297 46 HG21 THR 10 1HG2 THR 10 -23.190 2.760 -6.363 47 HG22 THR 10 2HG2 THR 10 -24.102 2.196 -4.962 48 HG23 THR 10 3HG2 THR 10 -24.684 1.851 -6.591 49 H ASP 11 H ASP 11 -20.630 -0.052 -8.708 50 HA ASP 11 HA ASP 11 -20.023 -2.719 -7.610 51 HB2 ASP 11 1HB ASP 11 -20.539 -2.702 -10.049 52 HB3 ASP 11 2HB ASP 11 -19.173 -1.617 -10.296 53 H TRP 12 H TRP 12 -18.596 0.301 -8.805 54 HA TRP 12 HA TRP 12 -16.230 -0.261 -7.139 55 HB2 TRP 12 1HB TRP 12 -16.241 1.608 -9.502 56 HB3 TRP 12 2HB TRP 12 -14.858 0.883 -8.687 57 HD1 TRP 12 HD TRP 12 -14.950 -2.015 -8.902 58 HE1 TRP 12 1HE TRP 12 -15.305 -3.342 -11.079 59 HE3 TRP 12 3HE TRP 12 -17.154 1.632 -11.726 60 HZ2 TRP 12 2HZ TRP 12 -16.377 -2.901 -13.653 61 HZ3 TRP 12 3HZ TRP 12 -17.814 1.098 -14.036 62 HH2 TRP 12 HH TRP 12 -17.432 -1.122 -14.977 63 H LEU 13 H LEU 13 -16.612 0.803 -5.279 64 HA LEU 13 HA LEU 13 -17.990 3.295 -5.143 65 HB2 LEU 13 1HB LEU 13 -16.392 1.698 -3.165 66 HB3 LEU 13 2HB LEU 13 -17.074 3.272 -2.760 67 HG LEU 13 HG LEU 13 -19.332 2.358 -3.267 68 HD11 LEU 13 1HD1 LEU 13 -19.337 -0.246 -3.153 69 HD12 LEU 13 2HD1 LEU 13 -17.706 -0.085 -3.806 70 HD13 LEU 13 3HD1 LEU 13 -19.081 0.572 -4.695 71 HD21 LEU 13 1HD2 LEU 13 -18.880 2.429 -0.999 72 HD22 LEU 13 2HD2 LEU 13 -17.597 1.224 -1.110 73 HD23 LEU 13 3HD2 LEU 13 -19.286 0.731 -1.250 74 H SER 14 H SER 14 -14.616 2.472 -4.310 75 HA SER 14 HA SER 14 -13.555 4.716 -5.712 76 HB2 SER 14 1HB SER 14 -13.957 4.907 -2.741 77 HB3 SER 14 2HB SER 14 -12.592 5.722 -3.506 78 HG SER 14 HG SER 14 -14.223 7.181 -3.537 79 H ALA 15 H ALA 15 -11.326 4.628 -5.900 80 HA ALA 15 HA ALA 15 -9.981 2.425 -4.482 81 HB1 ALA 15 1HB ALA 15 -9.681 3.105 -7.405 82 HB2 ALA 15 2HB ALA 15 -8.760 1.880 -6.533 83 HB3 ALA 15 3HB ALA 15 -10.500 1.690 -6.744 84 H GLU 16 H GLU 16 -9.186 4.079 -3.051 85 HA GLU 16 HA GLU 16 -6.977 5.628 -4.236 86 HB2 GLU 16 1HB GLU 16 -7.348 7.341 -2.507 87 HB3 GLU 16 2HB GLU 16 -8.750 7.145 -3.549 88 HG2 GLU 16 1HG GLU 16 -9.985 6.071 -1.888 89 HG3 GLU 16 2HG GLU 16 -8.552 5.717 -0.925 90 H THR 17 H THR 17 -6.631 3.027 -3.339 91 HA THR 17 HA THR 17 -4.601 3.423 -1.346 92 HB THR 17 HB THR 17 -6.593 3.179 0.093 93 HG1 THR 17 1HG THR 17 -5.128 0.777 0.340 94 HG21 THR 17 1HG2 THR 17 -7.413 0.658 0.125 95 HG22 THR 17 2HG2 THR 17 -6.964 0.746 -1.578 96 HG23 THR 17 3HG2 THR 17 -8.163 1.860 -0.924 97 H PHE 18 H PHE 18 -3.373 1.419 -0.922 98 HA PHE 18 HA PHE 18 -2.992 -0.037 -3.360 99 HB2 PHE 18 1HB PHE 18 -1.675 -0.131 -0.652 100 HB3 PHE 18 2HB PHE 18 -1.260 -1.275 -1.924 101 HD1 PHE 18 2HD PHE 18 -1.889 2.405 -1.842 102 HD2 PHE 18 1HD PHE 18 0.756 -0.765 -2.880 103 HE1 PHE 18 2HE PHE 18 -0.308 4.037 -2.788 104 HE2 PHE 18 1HE PHE 18 2.341 0.862 -3.826 105 HZ PHE 18 HZ PHE 18 1.809 3.266 -3.782 106 H GLU 19 H GLU 19 -4.654 -1.397 -3.819 107 HA GLU 19 HA GLU 19 -6.155 -2.900 -2.032 108 HB2 GLU 19 1HB GLU 19 -6.495 -2.483 -4.564 109 HB3 GLU 19 2HB GLU 19 -5.492 -3.910 -4.783 110 HG2 GLU 19 1HG GLU 19 -7.867 -4.446 -4.872 111 HG3 GLU 19 2HG GLU 19 -7.066 -5.248 -3.522 112 H SER 20 H SER 20 -6.059 -5.022 -1.301 113 HA SER 20 HA SER 20 -3.382 -6.059 -0.966 114 HB2 SER 20 1HB SER 20 -5.034 -6.008 0.904 115 HB3 SER 20 2HB SER 20 -6.000 -7.201 0.037 116 HG SER 20 HG SER 20 -4.760 -8.645 0.899 117 H ASP 21 H ASP 21 -3.904 -6.192 -3.596 118 HA ASP 21 HA ASP 21 -4.655 -8.986 -4.127 119 HB2 ASP 21 1HB ASP 21 -5.983 -7.792 -5.572 120 HB3 ASP 21 2HB ASP 21 -4.823 -6.474 -5.719 121 H LEU 22 H LEU 22 -2.232 -6.525 -4.963 122 HA LEU 22 HA LEU 22 -0.527 -8.068 -6.496 123 HB2 LEU 22 1HB LEU 22 -0.062 -5.759 -4.647 124 HB3 LEU 22 2HB LEU 22 1.289 -6.537 -5.471 125 HG LEU 22 HG LEU 22 -1.026 -5.562 -7.083 126 HD11 LEU 22 1HD1 LEU 22 -0.723 -3.578 -5.960 127 HD12 LEU 22 2HD1 LEU 22 0.432 -3.409 -7.281 128 HD13 LEU 22 3HD1 LEU 22 0.993 -3.874 -5.675 129 HD21 LEU 22 1HD2 LEU 22 0.850 -6.900 -8.046 130 HD22 LEU 22 2HD2 LEU 22 1.939 -5.578 -7.625 131 HD23 LEU 22 3HD2 LEU 22 0.634 -5.312 -8.783 132 H ASP 23 H ASP 23 1.835 -8.559 -5.675 133 HA ASP 23 HA ASP 23 1.577 -10.715 -3.815 134 HB2 ASP 23 1HB ASP 23 3.186 -10.407 -5.883 135 HB3 ASP 23 2HB ASP 23 4.246 -9.680 -4.678 136 H GLU 24 H GLU 24 1.117 -10.031 -1.773 137 HA GLU 24 HA GLU 24 3.130 -8.305 -0.487 138 HB2 GLU 24 1HB GLU 24 0.742 -7.374 -0.798 139 HB3 GLU 24 2HB GLU 24 0.284 -8.513 0.460 140 HG2 GLU 24 1HG GLU 24 2.212 -7.417 1.801 141 HG3 GLU 24 2HG GLU 24 2.034 -6.103 0.639 142 H THR 25 H THR 25 3.117 -11.207 -0.738 143 HA THR 25 HA THR 25 2.677 -12.021 2.054 144 HB THR 25 HB THR 25 1.499 -13.406 0.419 145 HG1 THR 25 1HG THR 25 2.759 -15.452 0.996 146 HG21 THR 25 1HG2 THR 25 2.966 -14.911 -1.042 147 HG22 THR 25 2HG2 THR 25 4.250 -13.737 -0.751 148 HG23 THR 25 3HG2 THR 25 2.763 -13.237 -1.557 149 H ARG 26 H ARG 26 5.087 -11.371 -0.285 150 HA ARG 26 HA ARG 26 7.136 -12.466 1.525 151 HB2 ARG 26 1HB ARG 26 8.525 -13.021 -0.376 152 HB3 ARG 26 2HB ARG 26 6.957 -13.797 -0.557 153 HG2 ARG 26 1HG ARG 26 6.372 -12.518 -2.348 154 HG3 ARG 26 2HG ARG 26 7.346 -11.143 -1.824 155 HD2 ARG 26 1HD ARG 26 9.278 -11.990 -2.734 156 HD3 ARG 26 2HD ARG 26 8.725 -13.660 -2.617 157 HE ARG 26 HE ARG 26 7.061 -12.499 -4.452 158 HH11 ARG 26 2HH1 ARG 26 10.504 -12.905 -4.131 159 HH12 ARG 26 1HH1 ARG 26 10.790 -12.949 -5.839 160 HH21 ARG 26 2HH2 ARG 26 7.425 -12.556 -6.703 161 HH22 ARG 26 1HH2 ARG 26 9.037 -12.750 -7.301 162 H VAL 27 H VAL 27 9.026 -11.256 1.777 163 HA VAL 27 HA VAL 27 8.689 -8.425 1.456 164 HB VAL 27 HB VAL 27 10.750 -8.177 2.651 165 HG11 VAL 27 1HG1 VAL 27 8.647 -9.054 3.824 166 HG12 VAL 27 2HG1 VAL 27 9.494 -10.600 3.900 167 HG13 VAL 27 3HG1 VAL 27 10.180 -9.177 4.686 168 HG21 VAL 27 1HG2 VAL 27 11.180 -11.051 1.913 169 HG22 VAL 27 2HG2 VAL 27 12.248 -9.670 1.666 170 HG23 VAL 27 3HG2 VAL 27 12.016 -10.326 3.286 171 HA PRO 28 HA PRO 28 10.704 -7.912 -2.427 172 HB2 PRO 28 1HB PRO 28 11.437 -5.309 -2.180 173 HB3 PRO 28 2HB PRO 28 9.767 -5.814 -2.463 174 HG2 PRO 28 1HG PRO 28 11.100 -5.031 0.101 175 HG3 PRO 28 2HG PRO 28 9.494 -4.589 -0.505 176 HD2 PRO 28 1HD PRO 28 9.870 -6.533 1.342 177 HD3 PRO 28 2HD PRO 28 8.558 -6.592 0.147 178 H GLU 29 H GLU 29 12.549 -9.142 -2.439 179 HA GLU 29 HA GLU 29 14.789 -8.800 -0.805 180 HB2 GLU 29 1HB GLU 29 16.003 -10.074 -2.616 181 HB3 GLU 29 2HB GLU 29 14.560 -10.851 -1.981 182 HG2 GLU 29 1HG GLU 29 13.382 -10.570 -3.917 183 HG3 GLU 29 2HG GLU 29 14.297 -9.142 -4.396 184 H VAL 30 H VAL 30 17.046 -8.372 -1.898 185 HA VAL 30 HA VAL 30 17.555 -5.765 -2.135 186 HB VAL 30 HB VAL 30 19.391 -7.276 -2.210 187 HG11 VAL 30 1HG1 VAL 30 19.483 -9.103 -3.480 188 HG12 VAL 30 2HG1 VAL 30 17.844 -8.714 -4.004 189 HG13 VAL 30 3HG1 VAL 30 19.227 -8.176 -4.958 190 HG21 VAL 30 1HG2 VAL 30 20.651 -6.452 -4.239 191 HG22 VAL 30 2HG2 VAL 30 19.167 -5.630 -4.720 192 HG23 VAL 30 3HG2 VAL 30 19.960 -5.203 -3.204 193 HA PRO 31 HA PRO 31 15.379 -4.228 -5.662 194 HB2 PRO 31 1HB PRO 31 16.622 -1.820 -5.827 195 HB3 PRO 31 2HB PRO 31 15.412 -2.195 -4.593 196 HG2 PRO 31 1HG PRO 31 18.398 -2.207 -4.383 197 HG3 PRO 31 2HG PRO 31 17.198 -1.582 -3.236 198 HD2 PRO 31 1HD PRO 31 18.410 -3.983 -2.915 199 HD3 PRO 31 2HD PRO 31 16.747 -3.673 -2.377 200 H SER 32 H SER 32 16.032 -2.981 -7.753 201 HA SER 32 HA SER 32 17.581 -4.629 -9.341 202 HB2 SER 32 1HB SER 32 16.537 -1.850 -9.622 203 HB3 SER 32 2HB SER 32 17.751 -2.392 -10.780 204 HG SER 32 HG SER 32 16.345 -4.248 -11.125 205 H SER 33 H SER 33 18.507 -1.549 -7.829 206 HA SER 33 HA SER 33 21.166 -2.348 -7.354 207 HB2 SER 33 1HB SER 33 22.324 -0.858 -8.967 208 HB3 SER 33 2HB SER 33 21.439 -2.156 -9.768 209 HG SER 33 HG SER 33 20.757 0.579 -9.563 210 H LEU 34 H LEU 34 22.557 -0.100 -7.159 211 HA LEU 34 HA LEU 34 20.922 2.028 -6.053 212 HB2 LEU 34 1HB LEU 34 21.010 0.990 -4.035 213 HB3 LEU 34 2HB LEU 34 22.495 0.124 -4.423 214 HG LEU 34 HG LEU 34 23.712 2.314 -4.101 215 HD11 LEU 34 1HD1 LEU 34 20.956 3.109 -3.279 216 HD12 LEU 34 2HD1 LEU 34 22.150 4.000 -4.222 217 HD13 LEU 34 3HD1 LEU 34 22.352 3.830 -2.478 218 HD21 LEU 34 1HD2 LEU 34 24.182 1.630 -2.026 219 HD22 LEU 34 2HD2 LEU 34 23.005 0.350 -2.324 220 HD23 LEU 34 3HD2 LEU 34 22.514 1.823 -1.486 221 H HIS 35 H HIS 35 21.792 3.911 -6.599 222 HA HIS 35 HA HIS 35 24.671 3.994 -7.216 223 HB2 HIS 35 1HB HIS 35 23.549 4.452 -9.229 224 HB3 HIS 35 2HB HIS 35 22.321 5.428 -8.428 225 HD1 HIS 35 1HD HIS 35 22.598 7.703 -9.370 226 HD2 HIS 35 2HD HIS 35 26.245 5.976 -8.382 227 HE1 HIS 35 1HE HIS 35 24.319 9.493 -9.768 228 HE2 HIS 35 2HE HIS 35 26.526 8.398 -9.245 229 H VAL 36 H VAL 36 25.937 5.559 -6.325 230 HA VAL 36 HA VAL 36 24.648 7.581 -4.628 231 HB VAL 36 HB VAL 36 26.269 7.219 -2.845 232 HG11 VAL 36 1HG1 VAL 36 24.460 5.036 -3.720 233 HG12 VAL 36 2HG1 VAL 36 25.552 4.708 -2.373 234 HG13 VAL 36 3HG1 VAL 36 24.404 6.044 -2.274 235 HG21 VAL 36 1HG2 VAL 36 27.460 5.413 -4.836 236 HG22 VAL 36 2HG2 VAL 36 28.221 6.334 -3.539 237 HG23 VAL 36 3HG2 VAL 36 27.432 4.797 -3.184 238 H ARG 37 H ARG 37 25.672 9.540 -4.536 239 HA ARG 37 HA ARG 37 28.145 9.807 -6.117 240 HB2 ARG 37 1HB ARG 37 26.014 10.719 -7.177 241 HB3 ARG 37 2HB ARG 37 26.016 11.930 -5.902 242 HG2 ARG 37 1HG ARG 37 28.220 12.700 -6.648 243 HG3 ARG 37 2HG ARG 37 28.186 11.504 -7.945 244 HD2 ARG 37 1HD ARG 37 26.098 13.645 -7.588 245 HD3 ARG 37 2HD ARG 37 27.519 13.828 -8.616 246 HE ARG 37 HE ARG 37 26.057 11.468 -9.250 247 HH11 ARG 37 2HH1 ARG 37 26.096 14.924 -9.670 248 HH12 ARG 37 1HH1 ARG 37 25.210 14.883 -11.159 249 HH21 ARG 37 2HH2 ARG 37 24.890 11.402 -11.208 250 HH22 ARG 37 1HH2 ARG 37 24.523 12.880 -12.032 251 HA PRO 38 HA PRO 38 29.522 11.334 -2.124 252 HB2 PRO 38 1HB PRO 38 32.146 11.446 -2.813 253 HB3 PRO 38 2HB PRO 38 31.334 9.942 -2.360 254 HG2 PRO 38 1HG PRO 38 31.964 11.009 -5.085 255 HG3 PRO 38 2HG PRO 38 32.130 9.356 -4.465 256 HD2 PRO 38 1HD PRO 38 30.043 10.131 -6.007 257 HD3 PRO 38 2HD PRO 38 29.890 8.891 -4.745 258 H LEU 39 H LEU 39 29.061 13.415 -1.748 259 HA LEU 39 HA LEU 39 30.190 15.456 -3.542 260 HB2 LEU 39 1HB LEU 39 27.701 15.306 -1.917 261 HB3 LEU 39 2HB LEU 39 28.428 16.886 -2.196 262 HG LEU 39 HG LEU 39 28.335 16.204 -4.701 263 HD11 LEU 39 1HD1 LEU 39 26.290 14.346 -3.496 264 HD12 LEU 39 2HD1 LEU 39 27.735 13.887 -4.397 265 HD13 LEU 39 3HD1 LEU 39 26.421 14.736 -5.211 266 HD21 LEU 39 1HD2 LEU 39 27.042 18.013 -3.648 267 HD22 LEU 39 2HD2 LEU 39 25.805 16.843 -3.187 268 HD23 LEU 39 3HD2 LEU 39 26.120 17.169 -4.892 269 H VAL 40 H VAL 40 31.049 17.393 -2.608 270 HA VAL 40 HA VAL 40 33.018 17.261 -0.853 271 HB VAL 40 HB VAL 40 31.017 19.523 -0.920 272 HG11 VAL 40 1HG1 VAL 40 33.719 20.269 -0.238 273 HG12 VAL 40 2HG1 VAL 40 32.208 20.622 0.603 274 HG13 VAL 40 3HG1 VAL 40 33.066 19.114 0.924 275 HG21 VAL 40 1HG2 VAL 40 33.203 18.664 -2.669 276 HG22 VAL 40 2HG2 VAL 40 31.826 19.714 -3.005 277 HG23 VAL 40 3HG2 VAL 40 33.262 20.368 -2.218 278 H THR 41 H THR 41 29.994 18.594 0.452 279 HA THR 41 HA THR 41 30.538 17.133 2.954 280 HB THR 41 HB THR 41 29.280 18.919 4.118 281 HG1 THR 41 1HG THR 41 29.463 20.473 1.763 282 HG21 THR 41 1HG2 THR 41 31.468 19.451 4.381 283 HG22 THR 41 2HG2 THR 41 31.039 20.804 3.335 284 HG23 THR 41 3HG2 THR 41 31.805 19.370 2.652 285 H SER 42 H SER 42 28.961 16.287 0.565 286 HA SER 42 HA SER 42 26.612 15.410 2.023 287 HB2 SER 42 1HB SER 42 25.299 16.051 -0.220 288 HB3 SER 42 2HB SER 42 25.427 17.162 1.143 289 HG SER 42 HG SER 42 27.578 17.388 -0.463 290 H ILE 43 H ILE 43 25.203 14.077 0.270 291 HA ILE 43 HA ILE 43 26.794 12.688 -1.680 292 HB ILE 43 HB ILE 43 25.887 11.183 0.776 293 HG12 ILE 43 1HG1 ILE 43 28.641 11.867 -0.272 294 HG13 ILE 43 2HG1 ILE 43 27.913 12.426 1.231 295 HG21 ILE 43 1HG2 ILE 43 25.835 10.150 -1.659 296 HG22 ILE 43 2HG2 ILE 43 27.558 9.950 -1.346 297 HG23 ILE 43 3HG2 ILE 43 26.375 9.214 -0.266 298 HD11 ILE 43 1HD1 ILE 43 28.342 10.491 2.315 299 HD12 ILE 43 2HD1 ILE 43 28.155 9.505 0.864 300 HD13 ILE 43 3HD1 ILE 43 29.642 10.415 1.126 301 H VAL 44 H VAL 44 25.367 12.669 -3.290 302 HA VAL 44 HA VAL 44 22.538 12.526 -2.857 303 HB VAL 44 HB VAL 44 24.116 12.331 -5.427 304 HG11 VAL 44 1HG1 VAL 44 22.163 11.610 -6.257 305 HG12 VAL 44 2HG1 VAL 44 21.259 12.111 -4.826 306 HG13 VAL 44 3HG1 VAL 44 21.646 13.287 -6.083 307 HG21 VAL 44 1HG2 VAL 44 22.540 14.728 -4.640 308 HG22 VAL 44 2HG2 VAL 44 24.110 14.472 -3.880 309 HG23 VAL 44 3HG2 VAL 44 23.991 14.606 -5.634 310 H VAL 45 H VAL 45 21.925 10.605 -1.964 311 HA VAL 45 HA VAL 45 22.855 8.096 -3.094 312 HB VAL 45 HB VAL 45 20.913 8.637 -0.843 313 HG11 VAL 45 1HG1 VAL 45 22.233 6.007 -1.424 314 HG12 VAL 45 2HG1 VAL 45 20.833 6.346 -0.403 315 HG13 VAL 45 3HG1 VAL 45 20.690 6.442 -2.159 316 HG21 VAL 45 1HG2 VAL 45 22.662 8.785 0.526 317 HG22 VAL 45 2HG2 VAL 45 23.395 7.329 -0.146 318 HG23 VAL 45 3HG2 VAL 45 23.682 8.893 -0.908 319 H SER 46 H SER 46 21.967 7.749 -5.065 320 HA SER 46 HA SER 46 19.043 7.956 -5.312 321 HB2 SER 46 1HB SER 46 19.872 9.250 -7.046 322 HB3 SER 46 2HB SER 46 21.290 8.226 -7.272 323 HG SER 46 HG SER 46 18.720 7.215 -7.802 324 H TRP 47 H TRP 47 17.880 6.157 -5.427 325 HA TRP 47 HA TRP 47 19.234 3.658 -6.205 326 HB2 TRP 47 1HB TRP 47 17.844 2.456 -4.585 327 HB3 TRP 47 2HB TRP 47 18.811 3.692 -3.785 328 HD1 TRP 47 HD TRP 47 15.215 2.722 -4.528 329 HE1 TRP 47 1HE TRP 47 13.638 4.263 -3.201 330 HE3 TRP 47 3HE TRP 47 18.642 6.107 -2.815 331 HZ2 TRP 47 2HZ TRP 47 13.823 6.605 -1.635 332 HZ3 TRP 47 3HZ TRP 47 17.860 7.969 -1.409 333 HH2 TRP 47 HH TRP 47 15.499 8.211 -0.833 334 H THR 48 H THR 48 17.286 1.917 -6.471 335 HA THR 48 HA THR 48 15.100 3.107 -7.999 336 HB THR 48 HB THR 48 15.550 1.307 -9.806 337 HG1 THR 48 1HG THR 48 18.234 1.665 -8.964 338 HG21 THR 48 1HG2 THR 48 16.196 3.997 -9.592 339 HG22 THR 48 2HG2 THR 48 16.167 3.042 -11.074 340 HG23 THR 48 3HG2 THR 48 17.677 3.246 -10.186 341 HA PRO 49 HA PRO 49 12.755 -0.136 -6.183 342 HB2 PRO 49 1HB PRO 49 10.760 -0.372 -8.009 343 HB3 PRO 49 2HB PRO 49 10.888 0.996 -6.897 344 HG2 PRO 49 1HG PRO 49 11.711 0.806 -9.769 345 HG3 PRO 49 2HG PRO 49 10.875 2.126 -8.930 346 HD2 PRO 49 1HD PRO 49 13.528 2.191 -9.467 347 HD3 PRO 49 2HD PRO 49 12.826 2.957 -8.027 348 HA PRO 50 HA PRO 50 13.834 -4.020 -7.943 349 HB2 PRO 50 1HB PRO 50 11.773 -5.582 -7.117 350 HB3 PRO 50 2HB PRO 50 13.027 -4.989 -6.022 351 HG2 PRO 50 1HG PRO 50 10.267 -3.929 -6.492 352 HG3 PRO 50 2HG PRO 50 11.135 -4.152 -4.961 353 HD2 PRO 50 1HD PRO 50 10.921 -1.742 -6.177 354 HD3 PRO 50 2HD PRO 50 12.340 -2.204 -5.215 355 H GLU 51 H GLU 51 13.759 -4.507 -10.039 356 HA GLU 51 HA GLU 51 12.075 -3.768 -11.971 357 HB2 GLU 51 1HB GLU 51 13.673 -6.251 -11.606 358 HB3 GLU 51 2HB GLU 51 12.525 -6.216 -12.937 359 HG2 GLU 51 1HG GLU 51 13.678 -4.613 -14.078 360 HG3 GLU 51 2HG GLU 51 14.372 -3.914 -12.617 361 H ASN 52 H ASN 52 11.423 -6.274 -9.623 362 HA ASN 52 HA ASN 52 8.972 -7.091 -10.940 363 HB2 ASN 52 1HB ASN 52 10.333 -8.778 -9.796 364 HB3 ASN 52 2HB ASN 52 10.150 -7.910 -8.275 365 HD21 ASN 52 1HD2 ASN 52 9.371 -10.640 -9.106 366 HD22 ASN 52 2HD2 ASN 52 7.685 -10.759 -8.750 367 H GLN 53 H GLN 53 7.722 -5.207 -10.902 368 HA GLN 53 HA GLN 53 7.234 -3.661 -8.595 369 HB2 GLN 53 1HB GLN 53 5.662 -4.013 -11.146 370 HB3 GLN 53 2HB GLN 53 5.213 -2.865 -9.892 371 HG2 GLN 53 1HG GLN 53 7.911 -2.849 -11.206 372 HG3 GLN 53 2HG GLN 53 6.530 -1.959 -11.846 373 HE21 GLN 53 1HE2 GLN 53 8.811 -2.225 -9.231 374 HE22 GLN 53 2HE2 GLN 53 8.525 -0.661 -8.556 375 H ASN 54 H ASN 54 5.594 -6.457 -9.981 376 HA ASN 54 HA ASN 54 3.229 -6.634 -8.760 377 HB2 ASN 54 1HB ASN 54 5.212 -8.915 -8.657 378 HB3 ASN 54 2HB ASN 54 3.456 -9.038 -8.676 379 HD21 ASN 54 1HD2 ASN 54 3.677 -10.404 -10.507 380 HD22 ASN 54 2HD2 ASN 54 3.951 -9.734 -12.076 381 H ILE 55 H ILE 55 6.330 -7.069 -7.135 382 HA ILE 55 HA ILE 55 5.216 -7.792 -4.614 383 HB ILE 55 HB ILE 55 7.938 -6.583 -5.084 384 HG12 ILE 55 1HG1 ILE 55 7.380 -9.536 -5.037 385 HG13 ILE 55 2HG1 ILE 55 7.266 -8.627 -6.540 386 HG21 ILE 55 1HG2 ILE 55 8.489 -7.254 -2.995 387 HG22 ILE 55 2HG2 ILE 55 6.752 -7.097 -2.739 388 HG23 ILE 55 3HG2 ILE 55 7.456 -8.681 -3.062 389 HD11 ILE 55 1HD1 ILE 55 9.431 -9.667 -6.349 390 HD12 ILE 55 2HD1 ILE 55 9.598 -7.913 -6.255 391 HD13 ILE 55 3HD1 ILE 55 9.699 -8.888 -4.790 392 H VAL 56 H VAL 56 4.362 -6.542 -3.088 393 HA VAL 56 HA VAL 56 3.972 -3.766 -3.472 394 HB VAL 56 HB VAL 56 3.570 -5.479 -1.017 395 HG11 VAL 56 1HG1 VAL 56 2.700 -2.638 -1.541 396 HG12 VAL 56 2HG1 VAL 56 2.180 -3.627 -0.175 397 HG13 VAL 56 3HG1 VAL 56 3.876 -3.172 -0.340 398 HG21 VAL 56 1HG2 VAL 56 1.107 -4.806 -1.834 399 HG22 VAL 56 2HG2 VAL 56 1.939 -4.803 -3.389 400 HG23 VAL 56 3HG2 VAL 56 1.943 -6.256 -2.389 401 H VAL 57 H VAL 57 4.913 -1.997 -2.525 402 HA VAL 57 HA VAL 57 7.153 -2.417 -0.687 403 HB VAL 57 HB VAL 57 7.354 -0.843 -3.257 404 HG11 VAL 57 1HG1 VAL 57 9.834 -1.063 -1.868 405 HG12 VAL 57 2HG1 VAL 57 8.949 0.392 -2.331 406 HG13 VAL 57 3HG1 VAL 57 8.629 -0.380 -0.777 407 HG21 VAL 57 1HG2 VAL 57 8.899 -3.245 -2.284 408 HG22 VAL 57 2HG2 VAL 57 7.633 -3.269 -3.511 409 HG23 VAL 57 3HG2 VAL 57 9.138 -2.403 -3.814 410 H ARG 58 H ARG 58 6.873 -1.140 1.009 411 HA ARG 58 HA ARG 58 5.127 1.177 0.810 412 HB2 ARG 58 1HB ARG 58 6.373 -0.310 3.110 413 HB3 ARG 58 2HB ARG 58 5.594 1.249 3.342 414 HG2 ARG 58 1HG ARG 58 4.177 -1.039 2.022 415 HG3 ARG 58 2HG ARG 58 4.211 -0.844 3.776 416 HD2 ARG 58 1HD ARG 58 3.246 1.408 3.519 417 HD3 ARG 58 2HD ARG 58 3.164 1.155 1.776 418 HE ARG 58 HE ARG 58 1.801 -0.852 3.328 419 HH11 ARG 58 2HH1 ARG 58 1.544 2.244 1.758 420 HH12 ARG 58 1HH1 ARG 58 -0.178 2.159 1.583 421 HH21 ARG 58 2HH2 ARG 58 -0.465 -0.977 3.103 422 HH22 ARG 58 1HH2 ARG 58 -1.320 0.326 2.349 423 H GLY 59 H GLY 59 8.506 0.406 1.389 424 HA2 GLY 59 1HA GLY 59 9.422 2.926 0.535 425 HA3 GLY 59 2HA GLY 59 9.381 2.913 2.292 426 H TYR 60 H TYR 60 11.714 3.241 2.075 427 HA TYR 60 HA TYR 60 13.088 0.672 2.073 428 HB2 TYR 60 1HB TYR 60 14.211 2.979 0.485 429 HB3 TYR 60 2HB TYR 60 14.802 1.323 0.548 430 HD1 TYR 60 2HD TYR 60 11.732 3.232 -0.395 431 HD2 TYR 60 1HD TYR 60 14.246 -0.109 -1.179 432 HE1 TYR 60 2HE TYR 60 10.371 2.678 -2.368 433 HE2 TYR 60 1HE TYR 60 12.893 -0.672 -3.155 434 HH TYR 60 HH TYR 60 11.077 1.192 -4.730 435 H ALA 61 H ALA 61 15.384 0.933 2.861 436 HA ALA 61 HA ALA 61 15.540 3.134 4.817 437 HB1 ALA 61 1HB ALA 61 16.015 1.725 6.503 438 HB2 ALA 61 2HB ALA 61 15.217 0.531 5.479 439 HB3 ALA 61 3HB ALA 61 16.976 0.657 5.481 440 H ILE 62 H ILE 62 17.365 4.306 4.847 441 HA ILE 62 HA ILE 62 19.594 3.392 3.149 442 HB ILE 62 HB ILE 62 18.812 6.232 3.818 443 HG12 ILE 62 1HG1 ILE 62 18.758 5.037 1.070 444 HG13 ILE 62 2HG1 ILE 62 17.402 4.768 2.160 445 HG21 ILE 62 1HG2 ILE 62 20.786 6.896 3.042 446 HG22 ILE 62 2HG2 ILE 62 21.293 5.208 3.074 447 HG23 ILE 62 3HG2 ILE 62 20.621 5.898 1.598 448 HD11 ILE 62 1HD1 ILE 62 18.001 7.526 2.222 449 HD12 ILE 62 2HD1 ILE 62 17.959 7.021 0.532 450 HD13 ILE 62 3HD1 ILE 62 16.569 6.724 1.575 451 H GLY 63 H GLY 63 21.398 2.881 4.190 452 HA2 GLY 63 1HA GLY 63 21.872 4.106 6.837 453 HA3 GLY 63 2HA GLY 63 22.359 2.471 6.416 454 H TYR 64 H TYR 64 23.658 5.268 7.126 455 HA TYR 64 HA TYR 64 25.892 4.905 5.248 456 HB2 TYR 64 1HB TYR 64 26.217 7.362 5.218 457 HB3 TYR 64 2HB TYR 64 24.680 6.876 4.511 458 HD1 TYR 64 1HD TYR 64 22.589 7.065 5.961 459 HD2 TYR 64 2HD TYR 64 26.285 8.911 6.975 460 HE1 TYR 64 1HE TYR 64 21.401 8.595 7.477 461 HE2 TYR 64 2HE TYR 64 25.108 10.445 8.496 462 HH TYR 64 HH TYR 64 23.050 10.607 9.718 463 H GLY 65 H GLY 65 27.962 5.410 6.067 464 HA2 GLY 65 1HA GLY 65 28.572 6.516 8.534 465 HA3 GLY 65 2HA GLY 65 28.310 4.802 8.822 466 H ILE 66 H ILE 66 30.735 6.666 8.828 467 HA ILE 66 HA ILE 66 32.482 6.011 6.762 468 HB ILE 66 HB ILE 66 33.141 6.566 9.657 469 HG12 ILE 66 1HG1 ILE 66 33.352 8.478 7.341 470 HG13 ILE 66 2HG1 ILE 66 31.854 8.299 8.247 471 HG21 ILE 66 1HG2 ILE 66 35.320 7.386 8.399 472 HG22 ILE 66 2HG2 ILE 66 35.132 5.720 8.943 473 HG23 ILE 66 3HG2 ILE 66 34.831 6.136 7.255 474 HD11 ILE 66 1HD1 ILE 66 32.703 9.962 9.480 475 HD12 ILE 66 2HD1 ILE 66 33.615 8.669 10.259 476 HD13 ILE 66 3HD1 ILE 66 34.361 9.627 8.980 477 H GLY 67 H GLY 67 32.637 3.921 6.124 478 HA2 GLY 67 1HA GLY 67 33.707 1.849 6.193 479 HA3 GLY 67 2HA GLY 67 34.053 2.111 7.896 480 H SER 68 H SER 68 31.608 2.485 8.998 481 HA SER 68 HA SER 68 30.251 -0.069 8.433 482 HB2 SER 68 1HB SER 68 29.547 -0.022 10.823 483 HB3 SER 68 2HB SER 68 31.298 -0.092 10.624 484 HG SER 68 HG SER 68 31.312 1.615 11.840 485 HA PRO 69 HA PRO 69 26.893 2.636 7.246 486 HB2 PRO 69 1HB PRO 69 25.240 0.639 6.440 487 HB3 PRO 69 2HB PRO 69 26.584 1.229 5.457 488 HG2 PRO 69 1HG PRO 69 26.441 -1.190 7.215 489 HG3 PRO 69 2HG PRO 69 27.139 -1.025 5.593 490 HD2 PRO 69 1HD PRO 69 28.653 -1.018 7.838 491 HD3 PRO 69 2HD PRO 69 29.088 -0.088 6.390 492 H HIS 70 H HIS 70 27.123 0.466 9.800 493 HA HIS 70 HA HIS 70 24.354 0.664 10.644 494 HB2 HIS 70 1HB HIS 70 26.759 -0.555 12.018 495 HB3 HIS 70 2HB HIS 70 25.097 -0.668 12.591 496 HD1 HIS 70 1HD HIS 70 23.568 -1.499 10.165 497 HD2 HIS 70 2HD HIS 70 27.346 -2.996 11.029 498 HE1 HIS 70 1HE HIS 70 23.724 -3.685 8.932 499 HE2 HIS 70 2HE HIS 70 25.985 -4.613 9.538 500 H ALA 71 H ALA 71 25.627 3.155 10.361 501 HA ALA 71 HA ALA 71 26.090 4.027 13.128 502 HB1 ALA 71 1HB ALA 71 27.869 4.846 11.940 503 HB2 ALA 71 2HB ALA 71 26.923 5.082 10.471 504 HB3 ALA 71 3HB ALA 71 26.752 6.205 11.819 505 H GLN 72 H GLN 72 24.325 5.015 10.194 506 HA GLN 72 HA GLN 72 22.207 6.080 11.921 507 HB2 GLN 72 1HB GLN 72 23.452 7.530 9.580 508 HB3 GLN 72 2HB GLN 72 21.978 8.036 10.393 509 HG2 GLN 72 1HG GLN 72 23.481 9.358 11.462 510 HG3 GLN 72 2HG GLN 72 23.521 7.950 12.522 511 HE21 GLN 72 1HE2 GLN 72 25.615 8.847 13.130 512 HE22 GLN 72 2HE2 GLN 72 27.000 8.451 12.177 513 H THR 73 H THR 73 20.137 6.310 10.841 514 HA THR 73 HA THR 73 19.874 4.780 8.351 515 HB THR 73 HB THR 73 18.064 4.342 10.731 516 HG1 THR 73 1HG THR 73 20.214 2.758 9.730 517 HG21 THR 73 1HG2 THR 73 16.747 3.208 9.335 518 HG22 THR 73 2HG2 THR 73 18.111 2.254 8.752 519 HG23 THR 73 3HG2 THR 73 17.731 3.802 7.998 520 H ILE 74 H ILE 74 18.449 5.617 6.938 521 HA ILE 74 HA ILE 74 16.691 7.781 7.895 522 HB ILE 74 HB ILE 74 18.066 7.587 5.213 523 HG12 ILE 74 1HG1 ILE 74 18.459 9.784 7.218 524 HG13 ILE 74 2HG1 ILE 74 19.356 8.278 7.382 525 HG21 ILE 74 1HG2 ILE 74 16.203 8.727 4.608 526 HG22 ILE 74 2HG2 ILE 74 15.878 9.285 6.249 527 HG23 ILE 74 3HG2 ILE 74 17.114 10.081 5.275 528 HD11 ILE 74 1HD1 ILE 74 20.558 10.102 6.184 529 HD12 ILE 74 2HD1 ILE 74 20.415 8.595 5.278 530 HD13 ILE 74 3HD1 ILE 74 19.367 9.960 4.892 531 H LYS 75 H LYS 75 14.606 7.348 7.688 532 HA LYS 75 HA LYS 75 13.764 5.311 5.745 533 HB2 LYS 75 1HB LYS 75 12.609 6.290 8.337 534 HB3 LYS 75 2HB LYS 75 11.585 5.475 7.163 535 HG2 LYS 75 1HG LYS 75 13.269 3.584 7.214 536 HG3 LYS 75 2HG LYS 75 13.966 4.380 8.627 537 HD2 LYS 75 1HD LYS 75 11.598 4.338 9.593 538 HD3 LYS 75 2HD LYS 75 11.225 3.190 8.305 539 HE2 LYS 75 1HE LYS 75 12.575 1.554 9.189 540 HE3 LYS 75 2HE LYS 75 13.621 2.710 10.011 541 HZ1 LYS 75 1HZ LYS 75 10.818 2.195 10.827 542 HZ2 LYS 75 2HZ LYS 75 12.001 3.048 11.683 543 HZ3 LYS 75 3HZ LYS 75 12.140 1.373 11.490 544 H VAL 76 H VAL 76 12.291 5.743 4.174 545 HA VAL 76 HA VAL 76 10.932 8.327 4.149 546 HB VAL 76 HB VAL 76 11.614 8.812 1.845 547 HG11 VAL 76 1HG1 VAL 76 13.715 9.728 2.346 548 HG12 VAL 76 2HG1 VAL 76 12.888 9.626 3.901 549 HG13 VAL 76 3HG1 VAL 76 14.110 8.429 3.470 550 HG21 VAL 76 1HG2 VAL 76 13.933 7.241 1.554 551 HG22 VAL 76 2HG2 VAL 76 12.621 6.136 1.967 552 HG23 VAL 76 3HG2 VAL 76 12.469 7.204 0.572 553 H ASP 77 H ASP 77 9.738 8.356 1.786 554 HA ASP 77 HA ASP 77 8.065 5.960 1.861 555 HB2 ASP 77 1HB ASP 77 7.279 8.495 1.885 556 HB3 ASP 77 2HB ASP 77 7.404 8.304 0.138 557 H TYR 78 H TYR 78 7.168 5.239 -0.305 558 HA TYR 78 HA TYR 78 9.264 4.308 -1.917 559 HB2 TYR 78 1HB TYR 78 7.198 3.921 -3.554 560 HB3 TYR 78 2HB TYR 78 7.442 2.937 -2.115 561 HD1 TYR 78 1HD TYR 78 5.719 6.062 -3.216 562 HD2 TYR 78 2HD TYR 78 5.694 2.697 -0.613 563 HE1 TYR 78 1HE TYR 78 3.492 6.716 -2.402 564 HE2 TYR 78 2HE TYR 78 3.467 3.340 0.207 565 HH TYR 78 HH TYR 78 2.183 6.182 0.002 566 H LYS 79 H LYS 79 7.116 7.073 -2.245 567 HA LYS 79 HA LYS 79 7.569 7.803 -4.868 568 HB2 LYS 79 1HB LYS 79 7.165 9.518 -2.417 569 HB3 LYS 79 2HB LYS 79 7.196 10.171 -4.050 570 HG2 LYS 79 1HG LYS 79 5.289 8.017 -3.179 571 HG3 LYS 79 2HG LYS 79 4.919 9.740 -3.087 572 HD2 LYS 79 1HD LYS 79 5.037 9.989 -5.435 573 HD3 LYS 79 2HD LYS 79 5.799 8.409 -5.638 574 HE2 LYS 79 1HE LYS 79 3.635 7.937 -6.251 575 HE3 LYS 79 2HE LYS 79 3.593 7.537 -4.534 576 HZ1 LYS 79 1HZ LYS 79 1.786 9.072 -5.641 577 HZ2 LYS 79 2HZ LYS 79 2.926 10.276 -5.309 578 HZ3 LYS 79 3HZ LYS 79 2.307 9.328 -4.052 579 H GLN 80 H GLN 80 9.536 8.521 -2.011 580 HA GLN 80 HA GLN 80 11.395 10.223 -3.193 581 HB2 GLN 80 1HB GLN 80 11.664 8.268 -0.913 582 HB3 GLN 80 2HB GLN 80 12.955 9.367 -1.380 583 HG2 GLN 80 1HG GLN 80 11.694 10.256 0.486 584 HG3 GLN 80 2HG GLN 80 11.503 11.273 -0.941 585 HE21 GLN 80 1HE2 GLN 80 9.517 11.481 -1.882 586 HE22 GLN 80 2HE2 GLN 80 8.066 10.850 -1.189 587 H ARG 81 H ARG 81 12.799 9.914 -4.779 588 HA ARG 81 HA ARG 81 13.490 7.185 -5.562 589 HB2 ARG 81 1HB ARG 81 12.686 9.147 -7.130 590 HB3 ARG 81 2HB ARG 81 14.385 9.596 -7.085 591 HG2 ARG 81 1HG ARG 81 13.660 6.782 -7.723 592 HG3 ARG 81 2HG ARG 81 13.453 8.026 -8.957 593 HD2 ARG 81 1HD ARG 81 15.908 8.664 -8.197 594 HD3 ARG 81 2HD ARG 81 15.936 6.969 -7.713 595 HE ARG 81 HE ARG 81 15.983 6.369 -9.925 596 HH11 ARG 81 2HH1 ARG 81 15.104 9.727 -9.659 597 HH12 ARG 81 1HH1 ARG 81 15.219 10.026 -11.362 598 HH21 ARG 81 2HH2 ARG 81 16.137 6.751 -12.169 599 HH22 ARG 81 1HH2 ARG 81 15.805 8.333 -12.788 600 H TYR 82 H TYR 82 14.962 10.165 -4.426 601 HA TYR 82 HA TYR 82 17.400 8.674 -3.812 602 HB2 TYR 82 1HB TYR 82 18.862 10.299 -4.783 603 HB3 TYR 82 2HB TYR 82 17.696 9.848 -6.022 604 HD1 TYR 82 2HD TYR 82 15.530 11.406 -6.069 605 HD2 TYR 82 1HD TYR 82 19.321 12.541 -4.506 606 HE1 TYR 82 2HE TYR 82 14.944 13.774 -6.384 607 HE2 TYR 82 1HE TYR 82 18.745 14.912 -4.816 608 HH TYR 82 HH TYR 82 16.611 16.054 -6.714 609 H TYR 83 H TYR 83 18.878 9.994 -2.387 610 HA TYR 83 HA TYR 83 17.424 11.947 -0.754 611 HB2 TYR 83 1HB TYR 83 17.320 9.564 0.203 612 HB3 TYR 83 2HB TYR 83 19.038 9.753 0.532 613 HD1 TYR 83 2HD TYR 83 19.804 11.477 2.143 614 HD2 TYR 83 1HD TYR 83 15.673 10.646 1.551 615 HE1 TYR 83 2HE TYR 83 19.278 12.618 4.257 616 HE2 TYR 83 1HE TYR 83 15.135 11.787 3.663 617 HH TYR 83 HH TYR 83 16.362 12.324 5.829 618 H THR 84 H THR 84 18.633 13.634 -0.127 619 HA THR 84 HA THR 84 21.486 13.580 -0.812 620 HB THR 84 HB THR 84 19.680 15.948 -0.285 621 HG1 THR 84 1HG THR 84 19.991 16.240 -2.587 622 HG21 THR 84 1HG2 THR 84 22.556 15.798 -1.194 623 HG22 THR 84 2HG2 THR 84 21.957 16.483 0.318 624 HG23 THR 84 3HG2 THR 84 21.571 17.261 -1.217 625 H ILE 85 H ILE 85 22.438 12.688 0.982 626 HA ILE 85 HA ILE 85 21.769 13.519 3.644 627 HB ILE 85 HB ILE 85 24.231 12.005 2.782 628 HG12 ILE 85 1HG1 ILE 85 21.637 10.771 3.696 629 HG13 ILE 85 2HG1 ILE 85 21.991 11.042 1.993 630 HG21 ILE 85 1HG2 ILE 85 24.178 11.122 5.053 631 HG22 ILE 85 2HG2 ILE 85 24.271 12.882 5.063 632 HG23 ILE 85 3HG2 ILE 85 22.738 12.079 5.400 633 HD11 ILE 85 1HD1 ILE 85 23.956 9.615 2.171 634 HD12 ILE 85 2HD1 ILE 85 23.612 9.351 3.881 635 HD13 ILE 85 3HD1 ILE 85 22.491 8.761 2.654 636 H GLU 86 H GLU 86 22.299 15.463 4.386 637 HA GLU 86 HA GLU 86 24.819 16.686 3.499 638 HB2 GLU 86 1HB GLU 86 22.282 17.851 4.631 639 HB3 GLU 86 2HB GLU 86 23.773 18.779 4.539 640 HG2 GLU 86 1HG GLU 86 23.757 18.125 2.044 641 HG3 GLU 86 2HG GLU 86 22.059 17.744 2.322 642 H ASN 87 H ASN 87 25.732 18.234 5.271 643 HA ASN 87 HA ASN 87 26.763 18.486 7.285 644 HB2 ASN 87 1HB ASN 87 24.653 16.621 8.388 645 HB3 ASN 87 2HB ASN 87 25.644 17.758 9.298 646 HD21 ASN 87 1HD2 ASN 87 22.825 17.309 7.424 647 HD22 ASN 87 2HD2 ASN 87 22.232 18.929 7.512 648 H LEU 88 H LEU 88 27.937 16.740 5.606 649 HA LEU 88 HA LEU 88 28.736 14.490 7.333 650 HB2 LEU 88 1HB LEU 88 28.853 14.692 4.327 651 HB3 LEU 88 2HB LEU 88 29.404 13.320 5.285 652 HG LEU 88 HG LEU 88 26.547 14.272 5.100 653 HD11 LEU 88 1HD1 LEU 88 27.827 11.841 3.863 654 HD12 LEU 88 2HD1 LEU 88 27.431 13.321 2.990 655 HD13 LEU 88 3HD1 LEU 88 26.146 12.353 3.712 656 HD21 LEU 88 1HD2 LEU 88 26.017 12.192 6.246 657 HD22 LEU 88 2HD2 LEU 88 27.095 13.186 7.227 658 HD23 LEU 88 3HD2 LEU 88 27.732 11.795 6.349 659 H ASP 89 H ASP 89 31.013 13.769 7.007 660 HA ASP 89 HA ASP 89 32.756 16.104 7.001 661 HB2 ASP 89 1HB ASP 89 32.933 13.321 8.050 662 HB3 ASP 89 2HB ASP 89 34.440 14.135 7.637 663 HA PRO 90 HA PRO 90 33.988 15.236 2.815 664 HB2 PRO 90 1HB PRO 90 35.866 17.190 2.662 665 HB3 PRO 90 2HB PRO 90 34.132 17.514 2.553 666 HG2 PRO 90 1HG PRO 90 35.969 17.799 4.900 667 HG3 PRO 90 2HG PRO 90 34.692 18.894 4.340 668 HD2 PRO 90 1HD PRO 90 34.339 17.180 6.406 669 HD3 PRO 90 2HD PRO 90 33.019 17.643 5.314 670 H SER 91 H SER 91 36.007 14.716 1.671 671 HA SER 91 HA SER 91 37.857 13.407 1.446 672 HB2 SER 91 1HB SER 91 38.525 15.311 3.633 673 HB3 SER 91 2HB SER 91 39.613 13.943 3.397 674 HG SER 91 HG SER 91 40.324 15.594 2.096 675 H SER 92 H SER 92 35.829 12.001 2.514 676 HA SER 92 HA SER 92 37.231 10.050 4.131 677 HB2 SER 92 1HB SER 92 34.657 11.299 5.126 678 HB3 SER 92 2HB SER 92 35.514 9.954 5.880 679 HG SER 92 HG SER 92 37.316 11.427 6.110 680 H HIS 93 H HIS 93 36.274 7.985 4.088 681 HA HIS 93 HA HIS 93 34.502 7.585 1.812 682 HB2 HIS 93 1HB HIS 93 36.362 6.132 1.767 683 HB3 HIS 93 2HB HIS 93 36.204 5.741 3.477 684 HD1 HIS 93 1HD HIS 93 36.062 3.216 3.044 685 HD2 HIS 93 2HD HIS 93 33.095 5.413 1.137 686 HE1 HIS 93 1HE HIS 93 34.390 1.523 2.230 687 HE2 HIS 93 2HE HIS 93 32.647 2.869 1.006 688 H TYR 94 H TYR 94 32.421 7.005 1.950 689 HA TYR 94 HA TYR 94 31.370 6.253 4.598 690 HB2 TYR 94 1HB TYR 94 30.339 8.224 2.593 691 HB3 TYR 94 2HB TYR 94 29.201 7.376 3.634 692 HD1 TYR 94 1HD TYR 94 29.174 7.781 6.039 693 HD2 TYR 94 2HD TYR 94 31.863 9.876 3.494 694 HE1 TYR 94 1HE TYR 94 29.603 9.403 7.838 695 HE2 TYR 94 2HE TYR 94 32.300 11.503 5.285 696 HH TYR 94 HH TYR 94 31.292 10.999 8.513 697 H VAL 95 H VAL 95 30.224 4.427 4.682 698 HA VAL 95 HA VAL 95 29.752 2.974 2.199 699 HB VAL 95 HB VAL 95 29.408 2.056 5.057 700 HG11 VAL 95 1HG1 VAL 95 28.047 0.673 3.743 701 HG12 VAL 95 2HG1 VAL 95 29.207 0.646 2.413 702 HG13 VAL 95 3HG1 VAL 95 29.557 -0.222 3.908 703 HG21 VAL 95 1HG2 VAL 95 31.648 2.081 5.059 704 HG22 VAL 95 2HG2 VAL 95 31.519 0.669 4.011 705 HG23 VAL 95 3HG2 VAL 95 31.743 2.270 3.308 706 H ILE 96 H ILE 96 27.882 3.324 1.202 707 HA ILE 96 HA ILE 96 25.498 3.956 2.781 708 HB ILE 96 HB ILE 96 26.082 4.217 -0.164 709 HG12 ILE 96 1HG1 ILE 96 25.308 6.650 0.593 710 HG13 ILE 96 2HG1 ILE 96 25.864 6.072 2.161 711 HG21 ILE 96 1HG2 ILE 96 23.826 5.169 -0.389 712 HG22 ILE 96 2HG2 ILE 96 23.789 3.471 0.083 713 HG23 ILE 96 3HG2 ILE 96 23.487 4.727 1.284 714 HD11 ILE 96 1HD1 ILE 96 27.901 6.688 1.562 715 HD12 ILE 96 2HD1 ILE 96 27.885 5.383 0.375 716 HD13 ILE 96 3HD1 ILE 96 27.379 7.007 -0.092 717 H THR 97 H THR 97 23.719 2.679 2.844 718 HA THR 97 HA THR 97 23.683 0.256 1.182 719 HB THR 97 HB THR 97 22.946 -1.098 3.091 720 HG1 THR 97 1HG THR 97 23.527 0.105 5.218 721 HG21 THR 97 1HG2 THR 97 25.457 0.168 4.075 722 HG22 THR 97 2HG2 THR 97 25.459 -0.561 2.469 723 HG23 THR 97 3HG2 THR 97 25.055 -1.538 3.880 724 H LEU 98 H LEU 98 21.648 -0.523 0.646 725 HA LEU 98 HA LEU 98 19.321 0.952 1.638 726 HB2 LEU 98 1HB LEU 98 19.729 2.143 -0.330 727 HB3 LEU 98 2HB LEU 98 20.200 0.693 -1.215 728 HG LEU 98 HG LEU 98 17.670 0.047 -0.810 729 HD11 LEU 98 1HD1 LEU 98 17.682 3.054 -0.647 730 HD12 LEU 98 2HD1 LEU 98 17.051 1.918 0.545 731 HD13 LEU 98 3HD1 LEU 98 16.257 2.084 -1.021 732 HD21 LEU 98 1HD2 LEU 98 17.172 1.350 -2.973 733 HD22 LEU 98 2HD2 LEU 98 18.446 0.131 -3.002 734 HD23 LEU 98 3HD2 LEU 98 18.864 1.841 -2.891 735 H LYS 99 H LYS 99 17.521 -0.265 1.886 736 HA LYS 99 HA LYS 99 17.433 -2.928 0.668 737 HB2 LYS 99 1HB LYS 99 16.725 -3.918 2.828 738 HB3 LYS 99 2HB LYS 99 18.377 -3.315 2.862 739 HG2 LYS 99 1HG LYS 99 17.756 -1.420 4.138 740 HG3 LYS 99 2HG LYS 99 16.037 -1.733 3.888 741 HD2 LYS 99 1HD LYS 99 16.509 -2.467 6.081 742 HD3 LYS 99 2HD LYS 99 16.408 -3.931 5.101 743 HE2 LYS 99 1HE LYS 99 18.699 -4.281 5.161 744 HE3 LYS 99 2HE LYS 99 19.048 -2.595 5.539 745 HZ1 LYS 99 1HZ LYS 99 19.153 -4.490 7.353 746 HZ2 LYS 99 2HZ LYS 99 17.510 -4.116 7.499 747 HZ3 LYS 99 3HZ LYS 99 18.675 -2.913 7.737 748 H ALA 100 H ALA 100 15.485 -3.410 -0.126 749 HA ALA 100 HA ALA 100 13.336 -1.517 0.153 750 HB1 ALA 100 1HB ALA 100 12.268 -3.614 -1.231 751 HB2 ALA 100 2HB ALA 100 13.135 -2.257 -1.951 752 HB3 ALA 100 3HB ALA 100 13.986 -3.762 -1.604 753 H PHE 101 H PHE 101 11.833 -1.562 1.678 754 HA PHE 101 HA PHE 101 11.136 -4.153 2.895 755 HB2 PHE 101 1HB PHE 101 11.090 -3.236 5.041 756 HB3 PHE 101 2HB PHE 101 12.504 -2.473 4.321 757 HD1 PHE 101 1HD PHE 101 8.856 -1.908 4.815 758 HD2 PHE 101 2HD PHE 101 12.730 -0.184 4.444 759 HE1 PHE 101 1HE PHE 101 7.916 0.307 5.331 760 HE2 PHE 101 2HE PHE 101 11.797 2.033 4.960 761 HZ PHE 101 HZ PHE 101 9.387 2.281 5.405 762 H ASN 102 H ASN 102 8.977 -4.490 3.429 763 HA ASN 102 HA ASN 102 7.053 -2.406 2.714 764 HB2 ASN 102 1HB ASN 102 5.748 -3.900 1.324 765 HB3 ASN 102 2HB ASN 102 7.395 -3.833 0.703 766 HD21 ASN 102 1HD2 ASN 102 5.738 -5.875 0.001 767 HD22 ASN 102 2HD2 ASN 102 6.277 -7.346 0.728 768 H ASN 103 H ASN 103 4.715 -3.580 3.070 769 HA ASN 103 HA ASN 103 4.266 -3.695 5.752 770 HB2 ASN 103 1HB ASN 103 2.536 -3.648 3.908 771 HB3 ASN 103 2HB ASN 103 2.736 -5.393 3.777 772 HD21 ASN 103 1HD2 ASN 103 2.356 -3.020 6.393 773 HD22 ASN 103 2HD2 ASN 103 1.120 -3.891 7.230 774 H VAL 104 H VAL 104 5.112 -6.402 3.639 775 HA VAL 104 HA VAL 104 4.892 -8.409 5.636 776 HB VAL 104 HB VAL 104 6.484 -8.431 3.068 777 HG11 VAL 104 1HG1 VAL 104 6.913 -10.133 5.057 778 HG12 VAL 104 2HG1 VAL 104 5.498 -10.917 4.353 779 HG13 VAL 104 3HG1 VAL 104 6.936 -10.642 3.369 780 HG21 VAL 104 1HG2 VAL 104 4.382 -8.292 2.236 781 HG22 VAL 104 2HG2 VAL 104 4.382 -10.021 2.585 782 HG23 VAL 104 3HG2 VAL 104 3.637 -8.893 3.717 783 H GLY 105 H GLY 105 7.698 -6.710 4.241 784 HA2 GLY 105 1HA GLY 105 9.138 -6.267 6.503 785 HA3 GLY 105 2HA GLY 105 9.521 -7.935 6.106 786 H GLU 106 H GLU 106 11.725 -6.990 5.967 787 HA GLU 106 HA GLU 106 12.182 -5.808 3.306 788 HB2 GLU 106 1HB GLU 106 14.171 -4.730 4.196 789 HB3 GLU 106 2HB GLU 106 12.762 -4.271 5.142 790 HG2 GLU 106 1HG GLU 106 14.595 -6.492 5.979 791 HG3 GLU 106 2HG GLU 106 14.890 -4.808 6.410 792 H GLY 107 H GLY 107 14.201 -6.411 2.253 793 HA2 GLY 107 1HA GLY 107 14.857 -9.218 2.825 794 HA3 GLY 107 2HA GLY 107 15.096 -8.403 1.286 795 H ILE 108 H ILE 108 17.194 -8.340 0.849 796 HA ILE 108 HA ILE 108 19.082 -7.849 3.047 797 HB ILE 108 HB ILE 108 20.722 -8.514 1.045 798 HG12 ILE 108 1HG1 ILE 108 18.576 -8.781 -0.401 799 HG13 ILE 108 2HG1 ILE 108 19.833 -10.008 -0.510 800 HG21 ILE 108 1HG2 ILE 108 19.184 -10.552 2.648 801 HG22 ILE 108 2HG2 ILE 108 20.800 -10.739 1.970 802 HG23 ILE 108 3HG2 ILE 108 20.519 -9.580 3.268 803 HD11 ILE 108 1HD1 ILE 108 17.327 -10.683 -0.288 804 HD12 ILE 108 2HD1 ILE 108 18.574 -11.583 0.576 805 HD13 ILE 108 3HD1 ILE 108 17.604 -10.381 1.427 806 HA PRO 109 HA PRO 109 19.700 -3.766 1.441 807 HB2 PRO 109 1HB PRO 109 21.872 -3.148 2.948 808 HB3 PRO 109 2HB PRO 109 20.228 -3.175 3.598 809 HG2 PRO 109 1HG PRO 109 22.372 -5.256 3.781 810 HG3 PRO 109 2HG PRO 109 21.258 -4.684 5.037 811 HD2 PRO 109 1HD PRO 109 20.863 -6.995 3.682 812 HD3 PRO 109 2HD PRO 109 19.522 -5.990 4.268 813 H LEU 110 H LEU 110 21.644 -2.458 0.634 814 HA LEU 110 HA LEU 110 23.332 -4.229 -1.001 815 HB2 LEU 110 1HB LEU 110 22.265 -1.462 -1.472 816 HB3 LEU 110 2HB LEU 110 23.590 -2.128 -2.424 817 HG LEU 110 HG LEU 110 21.054 -3.679 -2.251 818 HD11 LEU 110 1HD1 LEU 110 20.741 -2.131 -4.511 819 HD12 LEU 110 2HD1 LEU 110 21.250 -0.972 -3.283 820 HD13 LEU 110 3HD1 LEU 110 19.830 -1.980 -3.008 821 HD21 LEU 110 1HD2 LEU 110 22.674 -3.181 -4.704 822 HD22 LEU 110 2HD2 LEU 110 21.760 -4.612 -4.227 823 HD23 LEU 110 3HD2 LEU 110 23.307 -4.257 -3.458 824 H TYR 111 H TYR 111 25.420 -3.011 -1.727 825 HA TYR 111 HA TYR 111 26.571 -1.524 0.526 826 HB2 TYR 111 1HB TYR 111 27.555 -4.098 -0.649 827 HB3 TYR 111 2HB TYR 111 28.714 -2.942 -0.002 828 HD1 TYR 111 2HD TYR 111 25.453 -4.471 1.021 829 HD2 TYR 111 1HD TYR 111 29.372 -3.283 2.176 830 HE1 TYR 111 2HE TYR 111 25.042 -5.337 3.286 831 HE2 TYR 111 1HE TYR 111 28.972 -4.147 4.444 832 HH TYR 111 HH TYR 111 26.667 -6.235 5.235 833 H GLU 112 H GLU 112 27.355 0.326 -0.209 834 HA GLU 112 HA GLU 112 28.657 0.363 -2.847 835 HB2 GLU 112 1HB GLU 112 26.484 2.109 -1.797 836 HB3 GLU 112 2HB GLU 112 27.720 2.854 -2.801 837 HG2 GLU 112 1HG GLU 112 25.772 0.699 -3.524 838 HG3 GLU 112 2HG GLU 112 26.008 2.275 -4.276 839 H SER 113 H SER 113 29.968 2.453 -3.112 840 HA SER 113 HA SER 113 31.183 3.265 -0.563 841 HB2 SER 113 1HB SER 113 33.434 3.149 -1.736 842 HB3 SER 113 2HB SER 113 32.691 1.595 -1.357 843 HG SER 113 HG SER 113 32.016 2.625 -3.821 844 H ALA 114 H ALA 114 31.762 5.374 -0.433 845 HA ALA 114 HA ALA 114 31.956 7.002 -2.831 846 HB1 ALA 114 1HB ALA 114 29.514 6.833 -1.482 847 HB2 ALA 114 2HB ALA 114 30.216 8.378 -0.999 848 HB3 ALA 114 3HB ALA 114 29.982 8.011 -2.708 849 H VAL 115 H VAL 115 33.611 8.344 -2.586 850 HA VAL 115 HA VAL 115 34.485 9.015 0.142 851 HB VAL 115 HB VAL 115 36.058 9.066 -2.437 852 HG11 VAL 115 1HG1 VAL 115 36.576 10.732 -0.483 853 HG12 VAL 115 2HG1 VAL 115 37.291 9.304 0.268 854 HG13 VAL 115 3HG1 VAL 115 37.883 9.869 -1.295 855 HG21 VAL 115 1HG2 VAL 115 35.621 7.032 -0.363 856 HG22 VAL 115 2HG2 VAL 115 36.126 6.851 -2.043 857 HG23 VAL 115 3HG2 VAL 115 37.307 7.292 -0.811 858 H THR 116 H THR 116 33.511 10.886 0.685 859 HA THR 116 HA THR 116 32.645 12.934 -0.920 860 HB THR 116 HB THR 116 33.042 14.446 1.093 861 HG1 THR 116 1HG THR 116 33.811 11.977 2.296 862 HG21 THR 116 1HG2 THR 116 30.908 13.726 1.232 863 HG22 THR 116 2HG2 THR 116 31.527 12.708 2.532 864 HG23 THR 116 3HG2 THR 116 31.346 12.050 0.907 865 H ARG 117 H ARG 117 33.505 14.726 -1.862 866 HA ARG 117 HA ARG 117 36.256 14.708 -2.528 867 HB2 ARG 117 1HB ARG 117 34.017 16.664 -2.962 868 HB3 ARG 117 2HB ARG 117 35.666 17.071 -3.416 869 HG2 ARG 117 1HG ARG 117 35.599 14.816 -4.697 870 HG3 ARG 117 2HG ARG 117 33.849 14.999 -4.557 871 HD2 ARG 117 1HD ARG 117 34.311 16.010 -6.592 872 HD3 ARG 117 2HD ARG 117 34.258 17.377 -5.479 873 HE ARG 117 HE ARG 117 36.899 16.368 -5.735 874 HH11 ARG 117 2HH1 ARG 117 34.497 18.283 -7.373 875 HH12 ARG 117 1HH1 ARG 117 35.657 19.212 -8.264 876 HH21 ARG 117 2HH2 ARG 117 38.436 17.585 -6.902 877 HH22 ARG 117 1HH2 ARG 117 37.897 18.814 -7.995 878 HA PRO 118 HA PRO 118 38.132 17.017 0.699 879 HB2 PRO 118 1HB PRO 118 40.066 18.348 -0.662 880 HB3 PRO 118 2HB PRO 118 40.140 16.612 -0.341 881 HG2 PRO 118 1HG PRO 118 39.289 18.044 -2.829 882 HG3 PRO 118 2HG PRO 118 40.308 16.603 -2.661 883 HD2 PRO 118 1HD PRO 118 37.690 16.464 -3.338 884 HD3 PRO 118 2HD PRO 118 38.499 15.200 -2.389 885 H HIS 119 H HIS 119 37.023 18.627 1.632 886 HA HIS 119 HA HIS 119 35.795 20.766 0.306 887 HB2 HIS 119 1HB HIS 119 35.388 19.853 2.688 888 HB3 HIS 119 2HB HIS 119 36.698 20.925 3.172 889 HD1 HIS 119 1HD HIS 119 36.268 23.543 2.544 890 HD2 HIS 119 2HD HIS 119 32.950 21.044 2.592 891 HE1 HIS 119 1HE HIS 119 34.277 25.071 2.703 892 HE2 HIS 119 2HE HIS 119 32.286 23.533 2.817 893 H THR 120 H THR 120 37.234 21.788 -1.077 894 HA THR 120 HA THR 120 39.778 22.752 -0.310 895 HB THR 120 HB THR 120 39.196 22.409 -2.662 896 HG1 THR 120 1HG THR 120 39.801 24.733 -3.303 897 HG21 THR 120 1HG2 THR 120 37.804 24.307 -3.724 898 HG22 THR 120 2HG2 THR 120 37.188 24.564 -2.091 899 HG23 THR 120 3HG2 THR 120 36.952 23.009 -2.889 900 H SER 121 H SER 121 40.465 24.913 0.049 901 HA SER 121 HA SER 121 38.445 26.523 1.432 902 HB2 SER 121 1HB SER 121 40.462 25.921 2.709 903 HB3 SER 121 2HB SER 121 41.467 26.718 1.498 904 HG SER 121 HG SER 121 41.110 28.507 2.515 905 H GLY 122 H GLY 122 41.086 26.873 -0.926 906 HA2 GLY 122 1HA GLY 122 40.146 28.267 -2.906 907 HA3 GLY 122 2HA GLY 122 40.018 29.508 -1.668 908 HA PRO 123 HA PRO 123 44.123 30.786 -2.511 909 HB2 PRO 123 1HB PRO 123 44.919 31.663 -0.069 910 HB3 PRO 123 2HB PRO 123 43.751 32.535 -1.068 911 HG2 PRO 123 1HG PRO 123 43.267 30.696 1.244 912 HG3 PRO 123 2HG PRO 123 42.494 32.247 0.867 913 HD2 PRO 123 1HD PRO 123 41.320 29.866 0.334 914 HD3 PRO 123 2HD PRO 123 41.066 31.303 -0.677 915 H SER 124 H SER 124 46.002 29.749 -2.753 916 HA SER 124 HA SER 124 47.702 28.262 -2.483 917 HB2 SER 124 1HB SER 124 46.990 28.531 0.448 918 HB3 SER 124 2HB SER 124 48.469 27.803 -0.178 919 HG SER 124 HG SER 124 47.642 30.487 -0.600 920 H SER 125 H SER 125 45.144 27.239 -3.105 921 HA SER 125 HA SER 125 44.385 25.032 -1.539 922 HB2 SER 125 1HB SER 125 43.953 25.764 -4.425 923 HB3 SER 125 2HB SER 125 43.376 24.226 -3.784 924 HG SER 125 HG SER 125 41.873 26.075 -3.713 925 H GLY 126 H GLY 126 46.402 25.187 -4.473 926 HA2 GLY 126 1HA GLY 126 47.880 22.853 -3.531 927 HA3 GLY 126 2HA GLY 126 47.037 22.683 -5.064 Start of MODEL 14 1 H1 GLY 1 H GLY 1 7.144 17.585 -4.533 2 HA2 GLY 1 1HA GLY 1 5.679 18.491 -6.176 3 HA3 GLY 1 2HA GLY 1 5.153 16.824 -5.991 4 H SER 2 H SER 2 4.241 20.064 -5.815 5 HA SER 2 HA SER 2 1.906 19.517 -4.140 6 HB2 SER 2 1HB SER 2 2.945 22.110 -5.308 7 HB3 SER 2 2HB SER 2 1.525 21.969 -4.272 8 HG SER 2 HG SER 2 4.138 21.147 -3.531 9 H SER 3 H SER 3 1.912 18.176 -6.568 10 HA SER 3 HA SER 3 -0.186 19.609 -8.063 11 HB2 SER 3 1HB SER 3 2.161 19.048 -9.163 12 HB3 SER 3 2HB SER 3 1.421 17.463 -9.383 13 HG SER 3 HG SER 3 0.875 19.858 -10.629 14 H GLY 4 H GLY 4 -1.568 18.001 -9.373 15 HA2 GLY 4 1HA GLY 4 -3.221 16.552 -7.850 16 HA3 GLY 4 2HA GLY 4 -2.838 16.055 -9.492 17 H SER 5 H SER 5 -0.131 15.345 -9.075 18 HA SER 5 HA SER 5 -0.212 12.699 -8.549 19 HB2 SER 5 1HB SER 5 1.788 14.271 -9.222 20 HB3 SER 5 2HB SER 5 2.158 14.204 -7.499 21 HG SER 5 HG SER 5 2.867 12.463 -9.259 22 H SER 6 H SER 6 0.549 11.395 -6.720 23 HA SER 6 HA SER 6 -0.781 12.202 -4.295 24 HB2 SER 6 1HB SER 6 -0.165 9.938 -3.491 25 HB3 SER 6 2HB SER 6 -0.980 9.893 -5.055 26 HG SER 6 HG SER 6 0.761 9.098 -5.925 27 H GLY 7 H GLY 7 0.138 13.284 -2.690 28 HA2 GLY 7 1HA GLY 7 2.980 12.826 -2.106 29 HA3 GLY 7 2HA GLY 7 2.432 14.474 -2.380 30 HA PRO 8 HA PRO 8 1.634 14.786 1.928 31 HB2 PRO 8 1HB PRO 8 -0.148 16.834 1.901 32 HB3 PRO 8 2HB PRO 8 1.580 17.060 1.604 33 HG2 PRO 8 1HG PRO 8 -0.669 16.858 -0.362 34 HG3 PRO 8 2HG PRO 8 0.710 17.973 -0.350 35 HD2 PRO 8 1HD PRO 8 0.631 15.770 -1.922 36 HD3 PRO 8 2HD PRO 8 2.144 16.407 -1.248 37 H ALA 9 H ALA 9 -0.575 13.634 -0.289 38 HA ALA 9 HA ALA 9 -3.034 13.660 0.973 39 HB1 ALA 9 1HB ALA 9 -3.635 12.357 -0.727 40 HB2 ALA 9 2HB ALA 9 -1.953 12.422 -1.257 41 HB3 ALA 9 3HB ALA 9 -2.509 11.087 -0.247 42 H THR 10 H THR 10 -4.069 11.478 1.790 43 HA THR 10 HA THR 10 -2.481 10.683 4.122 44 HB THR 10 HB THR 10 -4.634 9.826 5.030 45 HG1 THR 10 1HG THR 10 -6.437 10.984 3.615 46 HG21 THR 10 1HG2 THR 10 -3.875 12.094 5.565 47 HG22 THR 10 2HG2 THR 10 -5.634 12.019 5.459 48 HG23 THR 10 3HG2 THR 10 -4.699 12.709 4.133 49 H ASP 11 H ASP 11 -1.716 9.512 1.717 50 HA ASP 11 HA ASP 11 -1.345 7.510 0.690 51 HB2 ASP 11 1HB ASP 11 -1.732 6.764 3.572 52 HB3 ASP 11 2HB ASP 11 -1.438 5.517 2.363 53 H TRP 12 H TRP 12 -3.927 8.469 0.299 54 HA TRP 12 HA TRP 12 -5.608 6.063 0.473 55 HB2 TRP 12 1HB TRP 12 -6.757 7.877 1.457 56 HB3 TRP 12 2HB TRP 12 -6.266 8.988 0.181 57 HD1 TRP 12 HD TRP 12 -7.407 8.372 -2.338 58 HE1 TRP 12 1HE TRP 12 -9.830 7.652 -2.823 59 HE3 TRP 12 3HE TRP 12 -8.718 6.742 2.327 60 HZ2 TRP 12 2HZ TRP 12 -12.009 6.540 -1.415 61 HZ3 TRP 12 3HZ TRP 12 -10.991 5.866 2.674 62 HH2 TRP 12 HH TRP 12 -12.601 5.768 0.841 63 H LEU 13 H LEU 13 -5.706 4.858 -1.294 64 HA LEU 13 HA LEU 13 -5.716 6.187 -3.915 65 HB2 LEU 13 1HB LEU 13 -4.060 3.836 -3.047 66 HB3 LEU 13 2HB LEU 13 -4.427 4.146 -4.743 67 HG LEU 13 HG LEU 13 -3.165 6.310 -3.124 68 HD11 LEU 13 1HD1 LEU 13 -1.948 3.711 -3.769 69 HD12 LEU 13 2HD1 LEU 13 -1.514 4.899 -2.540 70 HD13 LEU 13 3HD1 LEU 13 -0.998 5.130 -4.210 71 HD21 LEU 13 1HD2 LEU 13 -2.060 5.940 -5.706 72 HD22 LEU 13 2HD2 LEU 13 -3.082 7.256 -5.128 73 HD23 LEU 13 3HD2 LEU 13 -3.814 5.823 -5.850 74 H SER 14 H SER 14 -7.983 5.385 -2.512 75 HA SER 14 HA SER 14 -8.978 2.860 -2.895 76 HB2 SER 14 1HB SER 14 -10.104 4.860 -1.769 77 HB3 SER 14 2HB SER 14 -10.652 5.324 -3.380 78 HG SER 14 HG SER 14 -11.707 3.310 -3.525 79 H ALA 15 H ALA 15 -9.032 5.549 -5.214 80 HA ALA 15 HA ALA 15 -10.401 4.212 -7.268 81 HB1 ALA 15 1HB ALA 15 -9.753 5.984 -8.685 82 HB2 ALA 15 2HB ALA 15 -9.938 6.692 -7.079 83 HB3 ALA 15 3HB ALA 15 -8.328 6.344 -7.709 84 H GLU 16 H GLU 16 -9.654 2.174 -7.702 85 HA GLU 16 HA GLU 16 -7.438 1.932 -9.453 86 HB2 GLU 16 1HB GLU 16 -6.314 2.088 -7.184 87 HB3 GLU 16 2HB GLU 16 -7.067 0.546 -6.800 88 HG2 GLU 16 1HG GLU 16 -5.934 -0.360 -8.879 89 HG3 GLU 16 2HG GLU 16 -4.996 1.132 -8.888 90 H THR 17 H THR 17 -8.060 0.431 -10.845 91 HA THR 17 HA THR 17 -10.007 -1.582 -10.006 92 HB THR 17 HB THR 17 -10.278 -2.033 -12.429 93 HG1 THR 17 1HG THR 17 -8.796 0.274 -13.030 94 HG21 THR 17 1HG2 THR 17 -10.517 0.895 -11.725 95 HG22 THR 17 2HG2 THR 17 -11.681 -0.354 -11.284 96 HG23 THR 17 3HG2 THR 17 -11.414 0.043 -12.981 97 H PHE 18 H PHE 18 -7.292 -1.878 -9.146 98 HA PHE 18 HA PHE 18 -6.636 -4.396 -10.517 99 HB2 PHE 18 1HB PHE 18 -4.642 -2.363 -9.493 100 HB3 PHE 18 2HB PHE 18 -4.243 -3.926 -10.200 101 HD1 PHE 18 2HD PHE 18 -6.086 -0.788 -10.999 102 HD2 PHE 18 1HD PHE 18 -3.759 -4.045 -12.446 103 HE1 PHE 18 2HE PHE 18 -6.044 0.240 -13.234 104 HE2 PHE 18 1HE PHE 18 -3.713 -3.022 -14.684 105 HZ PHE 18 HZ PHE 18 -4.857 -0.878 -15.080 106 H GLU 19 H GLU 19 -8.242 -4.121 -8.215 107 HA GLU 19 HA GLU 19 -6.680 -4.594 -5.861 108 HB2 GLU 19 1HB GLU 19 -9.029 -3.614 -5.952 109 HB3 GLU 19 2HB GLU 19 -9.598 -5.253 -6.232 110 HG2 GLU 19 1HG GLU 19 -9.856 -4.929 -3.943 111 HG3 GLU 19 2HG GLU 19 -8.372 -5.869 -4.088 112 H SER 20 H SER 20 -6.556 -6.547 -4.665 113 HA SER 20 HA SER 20 -6.159 -8.771 -4.405 114 HB2 SER 20 1HB SER 20 -8.661 -8.806 -4.904 115 HB3 SER 20 2HB SER 20 -8.225 -9.261 -6.551 116 HG SER 20 HG SER 20 -8.206 -10.755 -4.254 117 H ASP 21 H ASP 21 -4.789 -7.176 -6.516 118 HA ASP 21 HA ASP 21 -3.836 -9.439 -8.144 119 HB2 ASP 21 1HB ASP 21 -4.480 -6.628 -8.942 120 HB3 ASP 21 2HB ASP 21 -3.187 -7.480 -9.782 121 H LEU 22 H LEU 22 -3.085 -6.728 -6.143 122 HA LEU 22 HA LEU 22 -0.366 -6.390 -6.775 123 HB2 LEU 22 1HB LEU 22 -1.948 -5.871 -4.273 124 HB3 LEU 22 2HB LEU 22 -0.233 -5.487 -4.403 125 HG LEU 22 HG LEU 22 -1.688 -3.528 -4.742 126 HD11 LEU 22 1HD1 LEU 22 0.014 -2.783 -5.945 127 HD12 LEU 22 2HD1 LEU 22 -0.700 -3.502 -7.388 128 HD13 LEU 22 3HD1 LEU 22 0.436 -4.431 -6.411 129 HD21 LEU 22 1HD2 LEU 22 -3.081 -3.331 -6.687 130 HD22 LEU 22 2HD2 LEU 22 -3.564 -4.774 -5.794 131 HD23 LEU 22 3HD2 LEU 22 -2.589 -4.926 -7.257 132 H ASP 23 H ASP 23 1.334 -6.782 -4.919 133 HA ASP 23 HA ASP 23 1.070 -9.560 -3.981 134 HB2 ASP 23 1HB ASP 23 3.233 -8.308 -5.607 135 HB3 ASP 23 2HB ASP 23 3.697 -9.501 -4.397 136 H GLU 24 H GLU 24 0.836 -9.280 -1.839 137 HA GLU 24 HA GLU 24 2.962 -7.809 -0.440 138 HB2 GLU 24 1HB GLU 24 0.686 -6.593 -0.591 139 HB3 GLU 24 2HB GLU 24 0.125 -7.802 0.555 140 HG2 GLU 24 1HG GLU 24 2.256 -7.044 1.894 141 HG3 GLU 24 2HG GLU 24 2.058 -5.579 0.934 142 H THR 25 H THR 25 2.778 -10.608 -0.964 143 HA THR 25 HA THR 25 2.151 -11.712 1.689 144 HB THR 25 HB THR 25 0.998 -12.831 -0.155 145 HG1 THR 25 1HG THR 25 2.324 -13.983 1.720 146 HG21 THR 25 1HG2 THR 25 3.787 -13.326 -1.199 147 HG22 THR 25 2HG2 THR 25 2.495 -12.419 -1.987 148 HG23 THR 25 3HG2 THR 25 2.349 -14.164 -1.782 149 H ARG 26 H ARG 26 4.715 -10.969 -0.467 150 HA ARG 26 HA ARG 26 6.613 -12.261 1.371 151 HB2 ARG 26 1HB ARG 26 7.971 -13.045 -0.399 152 HB3 ARG 26 2HB ARG 26 6.327 -13.500 -0.829 153 HG2 ARG 26 1HG ARG 26 6.193 -11.919 -2.518 154 HG3 ARG 26 2HG ARG 26 7.512 -10.953 -1.852 155 HD2 ARG 26 1HD ARG 26 8.568 -11.965 -3.621 156 HD3 ARG 26 2HD ARG 26 8.921 -13.108 -2.326 157 HE ARG 26 HE ARG 26 6.530 -13.679 -3.847 158 HH11 ARG 26 2HH1 ARG 26 9.955 -14.202 -3.507 159 HH12 ARG 26 1HH1 ARG 26 9.950 -15.685 -4.404 160 HH21 ARG 26 2HH2 ARG 26 6.510 -15.629 -5.030 161 HH22 ARG 26 1HH2 ARG 26 7.990 -16.495 -5.270 162 H VAL 27 H VAL 27 8.676 -11.238 1.528 163 HA VAL 27 HA VAL 27 8.528 -8.392 1.438 164 HB VAL 27 HB VAL 27 10.794 -8.402 2.313 165 HG11 VAL 27 1HG1 VAL 27 9.440 -10.694 3.683 166 HG12 VAL 27 2HG1 VAL 27 10.330 -9.341 4.385 167 HG13 VAL 27 3HG1 VAL 27 8.723 -9.084 3.703 168 HG21 VAL 27 1HG2 VAL 27 10.887 -10.985 1.024 169 HG22 VAL 27 2HG2 VAL 27 12.208 -9.965 1.595 170 HG23 VAL 27 3HG2 VAL 27 11.419 -11.087 2.703 171 HA PRO 28 HA PRO 28 10.149 -7.559 -2.563 172 HB2 PRO 28 1HB PRO 28 11.286 -5.136 -2.109 173 HB3 PRO 28 2HB PRO 28 9.537 -5.374 -2.201 174 HG2 PRO 28 1HG PRO 28 11.293 -5.145 0.212 175 HG3 PRO 28 2HG PRO 28 9.705 -4.416 -0.089 176 HD2 PRO 28 1HD PRO 28 10.024 -6.636 1.428 177 HD3 PRO 28 2HD PRO 28 8.574 -6.353 0.443 178 H GLU 29 H GLU 29 11.833 -8.675 -3.333 179 HA GLU 29 HA GLU 29 14.256 -9.083 -1.937 180 HB2 GLU 29 1HB GLU 29 15.062 -10.061 -4.071 181 HB3 GLU 29 2HB GLU 29 13.504 -10.699 -3.564 182 HG2 GLU 29 1HG GLU 29 12.354 -9.382 -5.183 183 HG3 GLU 29 2HG GLU 29 13.825 -8.497 -5.585 184 H VAL 30 H VAL 30 16.426 -8.519 -2.828 185 HA VAL 30 HA VAL 30 17.096 -5.943 -2.685 186 HB VAL 30 HB VAL 30 18.806 -7.615 -2.953 187 HG11 VAL 30 1HG1 VAL 30 17.995 -9.182 -4.459 188 HG12 VAL 30 2HG1 VAL 30 17.594 -7.962 -5.668 189 HG13 VAL 30 3HG1 VAL 30 19.279 -8.393 -5.374 190 HG21 VAL 30 1HG2 VAL 30 18.794 -5.354 -4.908 191 HG22 VAL 30 2HG2 VAL 30 19.731 -5.549 -3.426 192 HG23 VAL 30 3HG2 VAL 30 20.154 -6.476 -4.866 193 HA PRO 31 HA PRO 31 15.190 -3.746 -6.002 194 HB2 PRO 31 1HB PRO 31 16.719 -1.504 -5.912 195 HB3 PRO 31 2HB PRO 31 15.475 -1.867 -4.710 196 HG2 PRO 31 1HG PRO 31 18.437 -2.266 -4.550 197 HG3 PRO 31 2HG PRO 31 17.326 -1.636 -3.321 198 HD2 PRO 31 1HD PRO 31 18.234 -4.187 -3.293 199 HD3 PRO 31 2HD PRO 31 16.622 -3.741 -2.697 200 H SER 32 H SER 32 15.827 -2.567 -8.032 201 HA SER 32 HA SER 32 17.317 -4.171 -9.717 202 HB2 SER 32 1HB SER 32 16.872 -2.626 -11.367 203 HB3 SER 32 2HB SER 32 15.676 -2.133 -10.168 204 HG SER 32 HG SER 32 18.133 -0.927 -10.830 205 H SER 33 H SER 33 18.322 -1.129 -8.167 206 HA SER 33 HA SER 33 20.984 -1.993 -7.774 207 HB2 SER 33 1HB SER 33 20.730 -1.442 -10.353 208 HB3 SER 33 2HB SER 33 20.931 0.216 -9.787 209 HG SER 33 HG SER 33 22.940 -0.226 -9.136 210 H LEU 34 H LEU 34 22.430 0.033 -7.272 211 HA LEU 34 HA LEU 34 20.891 2.250 -6.183 212 HB2 LEU 34 1HB LEU 34 20.793 1.062 -4.235 213 HB3 LEU 34 2HB LEU 34 22.285 0.184 -4.570 214 HG LEU 34 HG LEU 34 23.479 2.398 -4.085 215 HD11 LEU 34 1HD1 LEU 34 20.945 3.407 -4.022 216 HD12 LEU 34 2HD1 LEU 34 22.363 4.172 -3.306 217 HD13 LEU 34 3HD1 LEU 34 21.296 3.185 -2.308 218 HD21 LEU 34 1HD2 LEU 34 22.331 1.683 -1.527 219 HD22 LEU 34 2HD2 LEU 34 23.972 1.455 -2.131 220 HD23 LEU 34 3HD2 LEU 34 22.726 0.258 -2.488 221 H HIS 35 H HIS 35 21.892 3.988 -6.935 222 HA HIS 35 HA HIS 35 24.811 3.924 -7.261 223 HB2 HIS 35 1HB HIS 35 23.828 4.485 -9.325 224 HB3 HIS 35 2HB HIS 35 22.639 5.544 -8.570 225 HD1 HIS 35 1HD HIS 35 23.122 7.917 -9.006 226 HD2 HIS 35 2HD HIS 35 26.606 5.666 -8.769 227 HE1 HIS 35 1HE HIS 35 25.000 9.542 -9.399 228 HE2 HIS 35 2HE HIS 35 27.093 8.142 -9.336 229 H VAL 36 H VAL 36 26.110 5.589 -6.467 230 HA VAL 36 HA VAL 36 24.837 7.511 -4.647 231 HB VAL 36 HB VAL 36 26.595 7.135 -2.966 232 HG11 VAL 36 1HG1 VAL 36 24.747 6.009 -2.271 233 HG12 VAL 36 2HG1 VAL 36 24.651 5.034 -3.739 234 HG13 VAL 36 3HG1 VAL 36 25.828 4.633 -2.487 235 HG21 VAL 36 1HG2 VAL 36 27.569 4.603 -3.536 236 HG22 VAL 36 2HG2 VAL 36 27.682 5.465 -5.071 237 HG23 VAL 36 3HG2 VAL 36 28.465 6.119 -3.632 238 H ARG 37 H ARG 37 25.702 9.513 -4.685 239 HA ARG 37 HA ARG 37 28.156 9.889 -6.273 240 HB2 ARG 37 1HB ARG 37 25.790 10.770 -7.074 241 HB3 ARG 37 2HB ARG 37 26.161 12.087 -5.970 242 HG2 ARG 37 1HG ARG 37 28.098 11.229 -8.089 243 HG3 ARG 37 2HG ARG 37 26.792 12.367 -8.427 244 HD2 ARG 37 1HD ARG 37 27.633 13.771 -6.540 245 HD3 ARG 37 2HD ARG 37 29.013 12.681 -6.414 246 HE ARG 37 HE ARG 37 29.925 13.683 -8.258 247 HH11 ARG 37 2HH1 ARG 37 26.551 14.517 -8.061 248 HH12 ARG 37 1HH1 ARG 37 26.629 15.675 -9.347 249 HH21 ARG 37 2HH2 ARG 37 30.040 15.205 -9.952 250 HH22 ARG 37 1HH2 ARG 37 28.613 16.066 -10.422 251 HA PRO 38 HA PRO 38 29.553 11.391 -2.268 252 HB2 PRO 38 1HB PRO 38 32.170 11.524 -2.979 253 HB3 PRO 38 2HB PRO 38 31.374 10.013 -2.522 254 HG2 PRO 38 1HG PRO 38 31.972 11.088 -5.251 255 HG3 PRO 38 2HG PRO 38 32.156 9.436 -4.635 256 HD2 PRO 38 1HD PRO 38 30.050 10.196 -6.157 257 HD3 PRO 38 2HD PRO 38 29.917 8.954 -4.895 258 H LEU 39 H LEU 39 29.290 13.463 -1.751 259 HA LEU 39 HA LEU 39 30.320 15.518 -3.595 260 HB2 LEU 39 1HB LEU 39 27.833 15.341 -1.980 261 HB3 LEU 39 2HB LEU 39 28.566 16.929 -2.196 262 HG LEU 39 HG LEU 39 28.503 16.172 -4.749 263 HD11 LEU 39 1HD1 LEU 39 27.568 13.992 -4.390 264 HD12 LEU 39 2HD1 LEU 39 26.354 15.004 -5.171 265 HD13 LEU 39 3HD1 LEU 39 26.241 14.667 -3.444 266 HD21 LEU 39 1HD2 LEU 39 25.977 17.146 -3.454 267 HD22 LEU 39 2HD2 LEU 39 26.663 17.591 -5.017 268 HD23 LEU 39 3HD2 LEU 39 27.427 18.147 -3.527 269 H VAL 40 H VAL 40 31.199 17.440 -2.657 270 HA VAL 40 HA VAL 40 33.176 17.288 -0.911 271 HB VAL 40 HB VAL 40 31.198 19.573 -0.880 272 HG11 VAL 40 1HG1 VAL 40 32.687 20.830 0.295 273 HG12 VAL 40 2HG1 VAL 40 33.103 19.244 0.946 274 HG13 VAL 40 3HG1 VAL 40 34.087 19.960 -0.331 275 HG21 VAL 40 1HG2 VAL 40 33.434 20.309 -2.341 276 HG22 VAL 40 2HG2 VAL 40 33.112 18.653 -2.855 277 HG23 VAL 40 3HG2 VAL 40 31.852 19.879 -2.990 278 H THR 41 H THR 41 30.157 18.623 0.407 279 HA THR 41 HA THR 41 30.697 17.138 2.897 280 HB THR 41 HB THR 41 29.398 18.957 4.046 281 HG1 THR 41 1HG THR 41 28.398 19.757 2.083 282 HG21 THR 41 1HG2 THR 41 32.030 19.369 2.710 283 HG22 THR 41 2HG2 THR 41 31.647 19.220 4.425 284 HG23 THR 41 3HG2 THR 41 31.303 20.724 3.572 285 H SER 42 H SER 42 29.096 16.335 0.520 286 HA SER 42 HA SER 42 26.727 15.514 1.981 287 HB2 SER 42 1HB SER 42 25.316 16.172 -0.099 288 HB3 SER 42 2HB SER 42 25.733 17.426 1.069 289 HG SER 42 HG SER 42 26.554 17.095 -1.546 290 H ILE 43 H ILE 43 25.291 14.204 0.233 291 HA ILE 43 HA ILE 43 26.847 12.772 -1.712 292 HB ILE 43 HB ILE 43 25.947 11.319 0.778 293 HG12 ILE 43 1HG1 ILE 43 28.675 11.941 -0.363 294 HG13 ILE 43 2HG1 ILE 43 28.022 12.452 1.190 295 HG21 ILE 43 1HG2 ILE 43 26.558 9.296 -0.232 296 HG22 ILE 43 2HG2 ILE 43 25.640 10.151 -1.471 297 HG23 ILE 43 3HG2 ILE 43 27.402 10.108 -1.551 298 HD11 ILE 43 1HD1 ILE 43 29.041 10.705 2.083 299 HD12 ILE 43 2HD1 ILE 43 27.888 9.675 1.234 300 HD13 ILE 43 3HD1 ILE 43 29.443 10.053 0.494 301 H VAL 44 H VAL 44 25.480 12.487 -3.333 302 HA VAL 44 HA VAL 44 22.618 12.455 -2.864 303 HB VAL 44 HB VAL 44 24.217 12.382 -5.425 304 HG11 VAL 44 1HG1 VAL 44 21.239 12.731 -5.119 305 HG12 VAL 44 2HG1 VAL 44 22.159 12.644 -6.623 306 HG13 VAL 44 3HG1 VAL 44 22.018 11.221 -5.590 307 HG21 VAL 44 1HG2 VAL 44 22.920 14.533 -3.821 308 HG22 VAL 44 2HG2 VAL 44 24.470 14.534 -4.663 309 HG23 VAL 44 3HG2 VAL 44 22.970 14.689 -5.577 310 H VAL 45 H VAL 45 21.876 10.550 -2.123 311 HA VAL 45 HA VAL 45 22.838 8.064 -3.333 312 HB VAL 45 HB VAL 45 21.047 8.476 -0.934 313 HG11 VAL 45 1HG1 VAL 45 22.288 5.982 -2.087 314 HG12 VAL 45 2HG1 VAL 45 21.511 6.075 -0.505 315 HG13 VAL 45 3HG1 VAL 45 20.570 6.359 -1.969 316 HG21 VAL 45 1HG2 VAL 45 23.655 9.063 -1.007 317 HG22 VAL 45 2HG2 VAL 45 22.866 8.385 0.418 318 HG23 VAL 45 3HG2 VAL 45 23.764 7.334 -0.678 319 H SER 46 H SER 46 21.800 7.747 -5.228 320 HA SER 46 HA SER 46 18.884 8.066 -5.303 321 HB2 SER 46 1HB SER 46 19.851 9.238 -7.109 322 HB3 SER 46 2HB SER 46 20.992 7.937 -7.453 323 HG SER 46 HG SER 46 18.388 8.259 -8.268 324 H TRP 47 H TRP 47 17.524 6.389 -5.734 325 HA TRP 47 HA TRP 47 18.655 3.771 -6.369 326 HB2 TRP 47 1HB TRP 47 17.472 2.665 -4.558 327 HB3 TRP 47 2HB TRP 47 18.534 3.904 -3.897 328 HD1 TRP 47 HD TRP 47 14.853 3.007 -4.279 329 HE1 TRP 47 1HE TRP 47 13.453 4.585 -2.805 330 HE3 TRP 47 3HE TRP 47 18.520 6.290 -2.895 331 HZ2 TRP 47 2HZ TRP 47 13.851 6.914 -1.260 332 HZ3 TRP 47 3HZ TRP 47 17.927 8.166 -1.417 333 HH2 TRP 47 HH TRP 47 15.640 8.470 -0.618 334 H THR 48 H THR 48 17.021 2.204 -7.037 335 HA THR 48 HA THR 48 14.540 3.475 -7.992 336 HB THR 48 HB THR 48 14.693 2.003 -10.016 337 HG1 THR 48 1HG THR 48 16.744 0.982 -8.674 338 HG21 THR 48 1HG2 THR 48 16.626 4.205 -9.440 339 HG22 THR 48 2HG2 THR 48 15.242 4.180 -10.534 340 HG23 THR 48 3HG2 THR 48 16.733 3.349 -10.977 341 HA PRO 49 HA PRO 49 12.377 0.110 -6.174 342 HB2 PRO 49 1HB PRO 49 10.212 -0.027 -7.806 343 HB3 PRO 49 2HB PRO 49 10.449 1.272 -6.632 344 HG2 PRO 49 1HG PRO 49 10.986 1.260 -9.577 345 HG3 PRO 49 2HG PRO 49 10.236 2.522 -8.582 346 HD2 PRO 49 1HD PRO 49 12.824 2.634 -9.372 347 HD3 PRO 49 2HD PRO 49 12.267 3.308 -7.827 348 HA PRO 50 HA PRO 50 13.238 -3.667 -8.256 349 HB2 PRO 50 1HB PRO 50 11.211 -5.257 -7.398 350 HB3 PRO 50 2HB PRO 50 12.545 -4.754 -6.353 351 HG2 PRO 50 1HG PRO 50 9.777 -3.633 -6.563 352 HG3 PRO 50 2HG PRO 50 10.741 -3.969 -5.113 353 HD2 PRO 50 1HD PRO 50 10.486 -1.480 -6.149 354 HD3 PRO 50 2HD PRO 50 11.959 -2.022 -5.318 355 H GLU 51 H GLU 51 12.958 -4.327 -10.291 356 HA GLU 51 HA GLU 51 11.284 -3.358 -12.147 357 HB2 GLU 51 1HB GLU 51 12.191 -6.236 -11.959 358 HB3 GLU 51 2HB GLU 51 11.537 -5.486 -13.408 359 HG2 GLU 51 1HG GLU 51 13.423 -4.277 -13.808 360 HG3 GLU 51 2HG GLU 51 13.860 -4.185 -12.103 361 H ASN 52 H ASN 52 10.547 -6.167 -10.101 362 HA ASN 52 HA ASN 52 7.919 -6.505 -11.181 363 HB2 ASN 52 1HB ASN 52 9.436 -8.258 -10.010 364 HB3 ASN 52 2HB ASN 52 8.794 -7.584 -8.515 365 HD21 ASN 52 1HD2 ASN 52 7.756 -9.492 -7.978 366 HD22 ASN 52 2HD2 ASN 52 6.334 -10.032 -8.797 367 H GLN 53 H GLN 53 6.994 -4.420 -10.953 368 HA GLN 53 HA GLN 53 6.792 -2.982 -8.567 369 HB2 GLN 53 1HB GLN 53 5.160 -3.059 -11.081 370 HB3 GLN 53 2HB GLN 53 4.629 -2.086 -9.716 371 HG2 GLN 53 1HG GLN 53 7.424 -1.786 -10.683 372 HG3 GLN 53 2HG GLN 53 6.114 -1.070 -11.621 373 HE21 GLN 53 1HE2 GLN 53 7.920 -0.968 -8.672 374 HE22 GLN 53 2HE2 GLN 53 7.297 0.536 -8.096 375 H ASN 54 H ASN 54 4.893 -5.648 -9.817 376 HA ASN 54 HA ASN 54 2.580 -5.651 -8.474 377 HB2 ASN 54 1HB ASN 54 4.473 -8.010 -8.590 378 HB3 ASN 54 2HB ASN 54 2.745 -8.105 -8.267 379 HD21 ASN 54 1HD2 ASN 54 1.286 -7.743 -9.935 380 HD22 ASN 54 2HD2 ASN 54 1.765 -7.772 -11.595 381 H ILE 55 H ILE 55 5.727 -6.342 -7.020 382 HA ILE 55 HA ILE 55 4.744 -6.987 -4.443 383 HB ILE 55 HB ILE 55 7.465 -5.899 -5.176 384 HG12 ILE 55 1HG1 ILE 55 6.738 -8.794 -4.770 385 HG13 ILE 55 2HG1 ILE 55 6.639 -8.031 -6.353 386 HG21 ILE 55 1HG2 ILE 55 8.051 -7.313 -3.087 387 HG22 ILE 55 2HG2 ILE 55 7.344 -5.713 -2.872 388 HG23 ILE 55 3HG2 ILE 55 6.337 -7.150 -2.706 389 HD11 ILE 55 1HD1 ILE 55 8.757 -8.628 -6.614 390 HD12 ILE 55 2HD1 ILE 55 9.158 -7.355 -5.461 391 HD13 ILE 55 3HD1 ILE 55 8.941 -9.014 -4.903 392 H VAL 56 H VAL 56 3.800 -5.684 -3.033 393 HA VAL 56 HA VAL 56 3.664 -2.874 -3.354 394 HB VAL 56 HB VAL 56 2.975 -4.562 -0.945 395 HG11 VAL 56 1HG1 VAL 56 1.478 -2.566 -0.435 396 HG12 VAL 56 2HG1 VAL 56 3.207 -2.363 -0.145 397 HG13 VAL 56 3HG1 VAL 56 2.466 -1.672 -1.590 398 HG21 VAL 56 1HG2 VAL 56 1.795 -4.923 -3.220 399 HG22 VAL 56 2HG2 VAL 56 0.811 -4.739 -1.768 400 HG23 VAL 56 3HG2 VAL 56 1.013 -3.380 -2.874 401 H VAL 57 H VAL 57 5.409 -1.625 -3.123 402 HA VAL 57 HA VAL 57 7.258 -2.164 -0.902 403 HB VAL 57 HB VAL 57 7.678 -0.418 -3.332 404 HG11 VAL 57 1HG1 VAL 57 9.707 0.172 -2.524 405 HG12 VAL 57 2HG1 VAL 57 8.921 -0.123 -0.973 406 HG13 VAL 57 3HG1 VAL 57 9.945 -1.365 -1.693 407 HG21 VAL 57 1HG2 VAL 57 8.665 -2.150 -4.405 408 HG22 VAL 57 2HG2 VAL 57 9.259 -2.881 -2.914 409 HG23 VAL 57 3HG2 VAL 57 7.575 -3.096 -3.392 410 H ARG 58 H ARG 58 6.700 -1.067 0.869 411 HA ARG 58 HA ARG 58 5.247 1.382 0.814 412 HB2 ARG 58 1HB ARG 58 6.777 0.174 3.124 413 HB3 ARG 58 2HB ARG 58 5.496 1.375 3.224 414 HG2 ARG 58 1HG ARG 58 5.130 -1.421 2.174 415 HG3 ARG 58 2HG ARG 58 4.770 -0.910 3.824 416 HD2 ARG 58 1HD ARG 58 3.569 0.588 1.543 417 HD3 ARG 58 2HD ARG 58 2.891 -0.977 1.992 418 HE ARG 58 HE ARG 58 2.120 -0.058 3.974 419 HH11 ARG 58 2HH1 ARG 58 4.106 2.223 2.249 420 HH12 ARG 58 1HH1 ARG 58 3.631 3.573 3.225 421 HH21 ARG 58 2HH2 ARG 58 1.487 1.712 5.266 422 HH22 ARG 58 1HH2 ARG 58 2.142 3.281 4.942 423 H GLY 59 H GLY 59 8.593 0.599 1.781 424 HA2 GLY 59 1HA GLY 59 9.590 3.034 0.642 425 HA3 GLY 59 2HA GLY 59 9.525 3.100 2.397 426 H TYR 60 H TYR 60 11.930 3.435 1.701 427 HA TYR 60 HA TYR 60 13.238 0.810 1.942 428 HB2 TYR 60 1HB TYR 60 14.528 3.079 0.452 429 HB3 TYR 60 2HB TYR 60 14.901 1.361 0.384 430 HD1 TYR 60 2HD TYR 60 12.654 4.001 -0.805 431 HD2 TYR 60 1HD TYR 60 13.610 -0.140 -1.012 432 HE1 TYR 60 2HE TYR 60 11.231 3.778 -2.799 433 HE2 TYR 60 1HE TYR 60 12.190 -0.374 -3.008 434 HH TYR 60 HH TYR 60 10.732 0.631 -4.358 435 H ALA 61 H ALA 61 15.456 0.960 2.849 436 HA ALA 61 HA ALA 61 15.631 3.154 4.811 437 HB1 ALA 61 1HB ALA 61 15.199 0.662 5.531 438 HB2 ALA 61 2HB ALA 61 16.946 0.533 5.323 439 HB3 ALA 61 3HB ALA 61 16.278 1.703 6.460 440 H ILE 62 H ILE 62 17.377 4.405 4.715 441 HA ILE 62 HA ILE 62 19.649 3.496 3.081 442 HB ILE 62 HB ILE 62 18.909 6.328 3.824 443 HG12 ILE 62 1HG1 ILE 62 18.719 5.208 1.052 444 HG13 ILE 62 2HG1 ILE 62 17.407 4.917 2.190 445 HG21 ILE 62 1HG2 ILE 62 21.354 5.630 3.299 446 HG22 ILE 62 2HG2 ILE 62 20.784 5.543 1.634 447 HG23 ILE 62 3HG2 ILE 62 20.675 7.061 2.525 448 HD11 ILE 62 1HD1 ILE 62 18.374 7.701 1.845 449 HD12 ILE 62 2HD1 ILE 62 17.393 6.981 0.569 450 HD13 ILE 62 3HD1 ILE 62 16.758 7.098 2.210 451 H GLY 63 H GLY 63 21.469 2.995 4.099 452 HA2 GLY 63 1HA GLY 63 21.911 4.127 6.793 453 HA3 GLY 63 2HA GLY 63 22.440 2.524 6.305 454 H TYR 64 H TYR 64 23.500 5.552 6.924 455 HA TYR 64 HA TYR 64 25.839 5.207 5.167 456 HB2 TYR 64 1HB TYR 64 26.028 7.668 5.048 457 HB3 TYR 64 2HB TYR 64 24.523 7.084 4.347 458 HD1 TYR 64 1HD TYR 64 22.429 7.162 5.854 459 HD2 TYR 64 2HD TYR 64 25.992 9.338 6.673 460 HE1 TYR 64 1HE TYR 64 21.158 8.683 7.310 461 HE2 TYR 64 2HE TYR 64 24.731 10.865 8.132 462 HH TYR 64 HH TYR 64 21.829 10.235 9.383 463 H GLY 65 H GLY 65 27.855 5.792 6.027 464 HA2 GLY 65 1HA GLY 65 28.364 7.036 8.450 465 HA3 GLY 65 2HA GLY 65 28.140 5.332 8.819 466 H ILE 66 H ILE 66 30.540 6.855 9.178 467 HA ILE 66 HA ILE 66 32.425 6.526 7.148 468 HB ILE 66 HB ILE 66 32.856 6.487 10.137 469 HG12 ILE 66 1HG1 ILE 66 31.851 8.559 9.472 470 HG13 ILE 66 2HG1 ILE 66 33.567 8.866 9.717 471 HG21 ILE 66 1HG2 ILE 66 35.054 6.279 9.823 472 HG22 ILE 66 2HG2 ILE 66 34.660 5.743 8.191 473 HG23 ILE 66 3HG2 ILE 66 35.054 7.435 8.492 474 HD11 ILE 66 1HD1 ILE 66 33.845 8.594 7.230 475 HD12 ILE 66 2HD1 ILE 66 32.084 8.617 7.121 476 HD13 ILE 66 3HD1 ILE 66 32.947 10.016 7.761 477 H GLY 67 H GLY 67 32.952 4.691 6.161 478 HA2 GLY 67 1HA GLY 67 33.292 2.436 5.802 479 HA3 GLY 67 2HA GLY 67 34.315 2.593 7.222 480 H SER 68 H SER 68 30.916 3.171 7.524 481 HA SER 68 HA SER 68 30.150 0.507 8.174 482 HB2 SER 68 1HB SER 68 30.686 2.411 10.465 483 HB3 SER 68 2HB SER 68 29.776 0.907 10.615 484 HG SER 68 HG SER 68 31.697 -0.158 9.808 485 HA PRO 69 HA PRO 69 26.506 2.908 7.103 486 HB2 PRO 69 1HB PRO 69 24.951 0.743 6.586 487 HB3 PRO 69 2HB PRO 69 26.138 1.370 5.436 488 HG2 PRO 69 1HG PRO 69 26.372 -0.935 7.332 489 HG3 PRO 69 2HG PRO 69 26.889 -0.821 5.639 490 HD2 PRO 69 1HD PRO 69 28.613 -0.554 7.711 491 HD3 PRO 69 2HD PRO 69 28.823 0.312 6.176 492 H HIS 70 H HIS 70 27.025 0.628 9.619 493 HA HIS 70 HA HIS 70 24.390 0.827 10.767 494 HB2 HIS 70 1HB HIS 70 25.339 -0.471 12.625 495 HB3 HIS 70 2HB HIS 70 25.716 -1.210 11.071 496 HD1 HIS 70 1HD HIS 70 27.400 1.134 13.554 497 HD2 HIS 70 2HD HIS 70 28.330 -1.845 10.812 498 HE1 HIS 70 1HE HIS 70 29.877 0.763 13.779 499 HE2 HIS 70 2HE HIS 70 30.431 -0.983 12.051 500 H ALA 71 H ALA 71 25.414 3.362 10.347 501 HA ALA 71 HA ALA 71 26.064 4.286 13.069 502 HB1 ALA 71 1HB ALA 71 26.933 6.340 11.948 503 HB2 ALA 71 2HB ALA 71 27.824 4.867 11.560 504 HB3 ALA 71 3HB ALA 71 26.679 5.537 10.398 505 H GLN 72 H GLN 72 24.059 4.879 10.224 506 HA GLN 72 HA GLN 72 22.048 6.109 11.923 507 HB2 GLN 72 1HB GLN 72 23.435 7.537 9.670 508 HB3 GLN 72 2HB GLN 72 21.801 7.970 10.155 509 HG2 GLN 72 1HG GLN 72 24.252 8.036 11.901 510 HG3 GLN 72 2HG GLN 72 23.429 9.428 11.197 511 HE21 GLN 72 1HE2 GLN 72 23.817 7.738 13.951 512 HE22 GLN 72 2HE2 GLN 72 22.331 8.111 14.749 513 H THR 73 H THR 73 19.966 6.344 10.838 514 HA THR 73 HA THR 73 19.674 4.798 8.369 515 HB THR 73 HB THR 73 17.995 4.262 10.826 516 HG1 THR 73 1HG THR 73 20.057 3.355 11.075 517 HG21 THR 73 1HG2 THR 73 16.568 3.242 9.454 518 HG22 THR 73 2HG2 THR 73 17.868 2.230 8.825 519 HG23 THR 73 3HG2 THR 73 17.522 3.788 8.076 520 H ILE 74 H ILE 74 18.041 5.476 7.055 521 HA ILE 74 HA ILE 74 16.219 7.538 8.092 522 HB ILE 74 HB ILE 74 17.689 7.673 5.457 523 HG12 ILE 74 1HG1 ILE 74 17.848 9.544 7.825 524 HG13 ILE 74 2HG1 ILE 74 19.003 8.249 7.529 525 HG21 ILE 74 1HG2 ILE 74 15.281 8.996 6.461 526 HG22 ILE 74 2HG2 ILE 74 16.502 10.100 5.830 527 HG23 ILE 74 3HG2 ILE 74 15.870 8.809 4.809 528 HD11 ILE 74 1HD1 ILE 74 19.633 10.596 6.779 529 HD12 ILE 74 2HD1 ILE 74 19.843 9.288 5.615 530 HD13 ILE 74 3HD1 ILE 74 18.456 10.370 5.485 531 H LYS 75 H LYS 75 14.281 6.599 7.991 532 HA LYS 75 HA LYS 75 13.625 4.833 5.762 533 HB2 LYS 75 1HB LYS 75 12.276 5.447 8.385 534 HB3 LYS 75 2HB LYS 75 11.475 4.523 7.121 535 HG2 LYS 75 1HG LYS 75 13.646 3.071 7.218 536 HG3 LYS 75 2HG LYS 75 13.802 3.785 8.825 537 HD2 LYS 75 1HD LYS 75 11.729 2.882 9.528 538 HD3 LYS 75 2HD LYS 75 11.276 2.449 7.878 539 HE2 LYS 75 1HE LYS 75 13.315 0.918 7.902 540 HE3 LYS 75 2HE LYS 75 13.351 1.179 9.645 541 HZ1 LYS 75 1HZ LYS 75 10.735 0.525 8.946 542 HZ2 LYS 75 2HZ LYS 75 11.828 -0.393 9.854 543 HZ3 LYS 75 3HZ LYS 75 11.743 -0.595 8.176 544 H VAL 76 H VAL 76 12.860 5.763 3.984 545 HA VAL 76 HA VAL 76 11.004 8.036 4.279 546 HB VAL 76 HB VAL 76 11.704 8.766 2.030 547 HG11 VAL 76 1HG1 VAL 76 12.776 9.880 3.808 548 HG12 VAL 76 2HG1 VAL 76 13.815 8.496 4.154 549 HG13 VAL 76 3HG1 VAL 76 14.062 9.441 2.685 550 HG21 VAL 76 1HG2 VAL 76 13.167 6.230 2.134 551 HG22 VAL 76 2HG2 VAL 76 12.592 7.153 0.745 552 HG23 VAL 76 3HG2 VAL 76 14.110 7.592 1.528 553 H ASP 77 H ASP 77 9.557 8.267 2.281 554 HA ASP 77 HA ASP 77 8.124 5.790 1.969 555 HB2 ASP 77 1HB ASP 77 7.244 8.288 2.141 556 HB3 ASP 77 2HB ASP 77 7.417 8.221 0.389 557 H TYR 78 H TYR 78 7.403 5.021 -0.173 558 HA TYR 78 HA TYR 78 9.505 4.287 -1.804 559 HB2 TYR 78 1HB TYR 78 7.771 3.672 -3.481 560 HB3 TYR 78 2HB TYR 78 7.404 3.093 -1.859 561 HD1 TYR 78 2HD TYR 78 5.662 4.262 -0.504 562 HD2 TYR 78 1HD TYR 78 6.321 5.179 -4.606 563 HE1 TYR 78 2HE TYR 78 3.460 5.352 -0.608 564 HE2 TYR 78 1HE TYR 78 4.120 6.272 -4.722 565 HH TYR 78 HH TYR 78 2.038 6.515 -1.855 566 H LYS 79 H LYS 79 7.114 6.858 -2.395 567 HA LYS 79 HA LYS 79 7.742 7.828 -4.802 568 HB2 LYS 79 1HB LYS 79 7.478 9.543 -2.326 569 HB3 LYS 79 2HB LYS 79 7.277 10.102 -3.981 570 HG2 LYS 79 1HG LYS 79 5.269 8.975 -4.254 571 HG3 LYS 79 2HG LYS 79 5.592 7.875 -2.911 572 HD2 LYS 79 1HD LYS 79 5.561 10.085 -1.500 573 HD3 LYS 79 2HD LYS 79 4.631 10.701 -2.868 574 HE2 LYS 79 1HE LYS 79 2.864 9.285 -2.477 575 HE3 LYS 79 2HE LYS 79 3.869 8.078 -1.676 576 HZ1 LYS 79 1HZ LYS 79 2.385 10.211 -0.537 577 HZ2 LYS 79 2HZ LYS 79 4.015 10.333 -0.103 578 HZ3 LYS 79 3HZ LYS 79 3.155 8.915 0.232 579 H GLN 80 H GLN 80 9.571 8.757 -1.883 580 HA GLN 80 HA GLN 80 11.497 10.347 -2.965 581 HB2 GLN 80 1HB GLN 80 11.669 8.305 -0.763 582 HB3 GLN 80 2HB GLN 80 13.051 9.302 -1.197 583 HG2 GLN 80 1HG GLN 80 10.454 10.103 0.033 584 HG3 GLN 80 2HG GLN 80 12.100 10.473 0.546 585 HE21 GLN 80 1HE2 GLN 80 9.459 11.896 -0.516 586 HE22 GLN 80 2HE2 GLN 80 10.122 13.184 -1.457 587 H ARG 81 H ARG 81 12.532 10.009 -4.827 588 HA ARG 81 HA ARG 81 13.322 7.375 -5.680 589 HB2 ARG 81 1HB ARG 81 12.599 9.500 -7.086 590 HB3 ARG 81 2HB ARG 81 14.322 9.843 -7.027 591 HG2 ARG 81 1HG ARG 81 13.359 7.151 -7.891 592 HG3 ARG 81 2HG ARG 81 13.349 8.509 -9.017 593 HD2 ARG 81 1HD ARG 81 15.807 8.830 -8.243 594 HD3 ARG 81 2HD ARG 81 15.668 7.161 -7.692 595 HE ARG 81 HE ARG 81 15.702 6.466 -9.879 596 HH11 ARG 81 2HH1 ARG 81 15.189 9.907 -9.762 597 HH12 ARG 81 1HH1 ARG 81 15.390 10.127 -11.469 598 HH21 ARG 81 2HH2 ARG 81 15.970 6.742 -12.128 599 HH22 ARG 81 1HH2 ARG 81 15.834 8.326 -12.814 600 H TYR 82 H TYR 82 14.917 10.255 -4.419 601 HA TYR 82 HA TYR 82 17.267 8.632 -3.807 602 HB2 TYR 82 1HB TYR 82 18.827 10.111 -4.801 603 HB3 TYR 82 2HB TYR 82 17.594 9.839 -6.026 604 HD1 TYR 82 2HD TYR 82 15.751 11.611 -6.256 605 HD2 TYR 82 1HD TYR 82 19.381 12.284 -4.140 606 HE1 TYR 82 2HE TYR 82 15.414 14.039 -6.460 607 HE2 TYR 82 1HE TYR 82 19.053 14.713 -4.337 608 HH TYR 82 HH TYR 82 16.266 16.054 -6.084 609 H TYR 83 H TYR 83 18.840 9.945 -2.422 610 HA TYR 83 HA TYR 83 17.471 11.940 -0.774 611 HB2 TYR 83 1HB TYR 83 17.239 9.582 0.198 612 HB3 TYR 83 2HB TYR 83 18.971 9.656 0.499 613 HD1 TYR 83 2HD TYR 83 19.878 11.146 2.196 614 HD2 TYR 83 1HD TYR 83 15.689 10.947 1.476 615 HE1 TYR 83 2HE TYR 83 19.464 12.316 4.319 616 HE2 TYR 83 1HE TYR 83 15.263 12.118 3.597 617 HH TYR 83 HH TYR 83 16.893 12.303 5.956 618 H THR 84 H THR 84 18.751 13.588 -0.219 619 HA THR 84 HA THR 84 21.616 13.358 -0.826 620 HB THR 84 HB THR 84 19.954 15.860 -0.472 621 HG1 THR 84 1HG THR 84 20.995 14.696 -2.858 622 HG21 THR 84 1HG2 THR 84 22.597 15.823 -1.838 623 HG22 THR 84 2HG2 THR 84 22.575 15.752 -0.075 624 HG23 THR 84 3HG2 THR 84 21.821 17.108 -0.913 625 H ILE 85 H ILE 85 22.725 12.782 0.941 626 HA ILE 85 HA ILE 85 21.921 13.593 3.585 627 HB ILE 85 HB ILE 85 24.449 12.188 2.716 628 HG12 ILE 85 1HG1 ILE 85 21.961 10.953 3.902 629 HG13 ILE 85 2HG1 ILE 85 22.252 11.037 2.168 630 HG21 ILE 85 1HG2 ILE 85 23.402 11.740 5.411 631 HG22 ILE 85 2HG2 ILE 85 25.053 12.036 4.868 632 HG23 ILE 85 3HG2 ILE 85 23.949 13.389 5.111 633 HD11 ILE 85 1HD1 ILE 85 23.878 9.564 4.221 634 HD12 ILE 85 2HD1 ILE 85 22.891 8.878 2.930 635 HD13 ILE 85 3HD1 ILE 85 24.362 9.769 2.538 636 H GLU 86 H GLU 86 22.482 15.413 4.568 637 HA GLU 86 HA GLU 86 24.791 16.914 3.530 638 HB2 GLU 86 1HB GLU 86 22.274 17.839 4.911 639 HB3 GLU 86 2HB GLU 86 23.668 18.884 4.671 640 HG2 GLU 86 1HG GLU 86 23.443 18.289 2.190 641 HG3 GLU 86 2HG GLU 86 21.839 17.697 2.620 642 H ASN 87 H ASN 87 25.390 18.615 5.477 643 HA ASN 87 HA ASN 87 26.737 18.754 7.316 644 HB2 ASN 87 1HB ASN 87 25.596 17.556 9.374 645 HB3 ASN 87 2HB ASN 87 24.874 18.992 8.655 646 HD21 ASN 87 1HD2 ASN 87 23.119 18.704 7.173 647 HD22 ASN 87 2HD2 ASN 87 22.093 17.320 7.310 648 H LEU 88 H LEU 88 27.738 16.886 5.640 649 HA LEU 88 HA LEU 88 28.406 14.573 7.325 650 HB2 LEU 88 1HB LEU 88 28.409 15.047 4.374 651 HB3 LEU 88 2HB LEU 88 29.439 13.794 5.063 652 HG LEU 88 HG LEU 88 26.435 13.925 5.316 653 HD11 LEU 88 1HD1 LEU 88 28.262 12.631 3.378 654 HD12 LEU 88 2HD1 LEU 88 26.629 13.257 3.156 655 HD13 LEU 88 3HD1 LEU 88 26.875 11.695 3.937 656 HD21 LEU 88 1HD2 LEU 88 26.900 12.671 7.130 657 HD22 LEU 88 2HD2 LEU 88 28.523 12.267 6.570 658 HD23 LEU 88 3HD2 LEU 88 27.128 11.397 5.933 659 H ASP 89 H ASP 89 30.719 13.738 6.873 660 HA ASP 89 HA ASP 89 32.532 16.012 7.257 661 HB2 ASP 89 1HB ASP 89 32.837 13.083 7.947 662 HB3 ASP 89 2HB ASP 89 34.090 14.296 8.194 663 HA PRO 90 HA PRO 90 33.964 15.177 3.103 664 HB2 PRO 90 1HB PRO 90 35.716 17.249 3.023 665 HB3 PRO 90 2HB PRO 90 33.974 17.455 2.803 666 HG2 PRO 90 1HG PRO 90 35.640 17.902 5.249 667 HG3 PRO 90 2HG PRO 90 34.330 18.899 4.591 668 HD2 PRO 90 1HD PRO 90 33.965 17.200 6.667 669 HD3 PRO 90 2HD PRO 90 32.687 17.555 5.488 670 H SER 91 H SER 91 36.017 14.658 2.103 671 HA SER 91 HA SER 91 37.998 13.543 2.011 672 HB2 SER 91 1HB SER 91 38.369 15.458 4.254 673 HB3 SER 91 2HB SER 91 39.548 14.154 4.116 674 HG SER 91 HG SER 91 39.112 16.335 2.474 675 H SER 92 H SER 92 35.964 12.017 2.914 676 HA SER 92 HA SER 92 37.350 10.084 4.549 677 HB2 SER 92 1HB SER 92 35.057 11.683 5.589 678 HB3 SER 92 2HB SER 92 35.121 9.970 6.002 679 HG SER 92 HG SER 92 37.464 10.609 6.533 680 H HIS 93 H HIS 93 36.420 8.000 4.461 681 HA HIS 93 HA HIS 93 34.798 7.577 2.095 682 HB2 HIS 93 1HB HIS 93 36.583 6.060 2.224 683 HB3 HIS 93 2HB HIS 93 36.336 5.773 3.944 684 HD1 HIS 93 1HD HIS 93 36.143 3.235 3.675 685 HD2 HIS 93 2HD HIS 93 33.351 5.362 1.453 686 HE1 HIS 93 1HE HIS 93 34.480 1.527 2.873 687 HE2 HIS 93 2HE HIS 93 32.848 2.825 1.460 688 H TYR 94 H TYR 94 32.694 7.084 2.065 689 HA TYR 94 HA TYR 94 31.393 6.404 4.620 690 HB2 TYR 94 1HB TYR 94 30.665 8.433 2.559 691 HB3 TYR 94 2HB TYR 94 29.361 7.588 3.386 692 HD1 TYR 94 1HD TYR 94 29.057 7.850 5.815 693 HD2 TYR 94 2HD TYR 94 32.018 10.055 3.700 694 HE1 TYR 94 1HE TYR 94 29.262 9.391 7.721 695 HE2 TYR 94 2HE TYR 94 32.232 11.602 5.600 696 HH TYR 94 HH TYR 94 30.764 10.968 8.660 697 H VAL 95 H VAL 95 30.076 4.679 4.617 698 HA VAL 95 HA VAL 95 29.709 3.268 2.069 699 HB VAL 95 HB VAL 95 29.459 2.250 4.903 700 HG11 VAL 95 1HG1 VAL 95 29.498 0.004 3.610 701 HG12 VAL 95 2HG1 VAL 95 27.986 0.908 3.719 702 HG13 VAL 95 3HG1 VAL 95 28.951 0.976 2.244 703 HG21 VAL 95 1HG2 VAL 95 31.446 0.921 3.353 704 HG22 VAL 95 2HG2 VAL 95 31.721 2.660 3.254 705 HG23 VAL 95 3HG2 VAL 95 31.645 1.868 4.828 706 H ILE 96 H ILE 96 27.762 3.072 1.169 707 HA ILE 96 HA ILE 96 25.415 3.860 2.766 708 HB ILE 96 HB ILE 96 25.791 4.035 -0.226 709 HG12 ILE 96 1HG1 ILE 96 25.480 6.543 0.365 710 HG13 ILE 96 2HG1 ILE 96 25.916 6.055 1.999 711 HG21 ILE 96 1HG2 ILE 96 23.583 4.161 -0.388 712 HG22 ILE 96 2HG2 ILE 96 23.430 3.926 1.353 713 HG23 ILE 96 3HG2 ILE 96 23.585 5.554 0.693 714 HD11 ILE 96 1HD1 ILE 96 28.080 5.657 1.449 715 HD12 ILE 96 2HD1 ILE 96 27.694 5.206 -0.212 716 HD13 ILE 96 3HD1 ILE 96 27.707 6.905 0.261 717 H THR 97 H THR 97 23.589 2.601 2.740 718 HA THR 97 HA THR 97 23.594 0.171 1.105 719 HB THR 97 HB THR 97 22.948 -1.227 3.016 720 HG1 THR 97 1HG THR 97 23.783 0.365 5.019 721 HG21 THR 97 1HG2 THR 97 25.427 -0.629 2.319 722 HG22 THR 97 2HG2 THR 97 25.091 -1.635 3.728 723 HG23 THR 97 3HG2 THR 97 25.464 0.076 3.935 724 H LEU 98 H LEU 98 21.623 -0.392 0.361 725 HA LEU 98 HA LEU 98 19.277 0.955 1.521 726 HB2 LEU 98 1HB LEU 98 19.706 2.122 -0.484 727 HB3 LEU 98 2HB LEU 98 20.041 0.634 -1.366 728 HG LEU 98 HG LEU 98 17.516 0.128 -0.832 729 HD11 LEU 98 1HD1 LEU 98 16.290 2.383 -1.082 730 HD12 LEU 98 2HD1 LEU 98 17.774 3.085 -0.440 731 HD13 LEU 98 3HD1 LEU 98 16.872 1.906 0.513 732 HD21 LEU 98 1HD2 LEU 98 16.913 1.235 -2.966 733 HD22 LEU 98 2HD2 LEU 98 18.398 0.289 -3.064 734 HD23 LEU 98 3HD2 LEU 98 18.479 2.047 -2.948 735 H LYS 99 H LYS 99 17.503 -0.278 1.835 736 HA LYS 99 HA LYS 99 17.395 -2.944 0.624 737 HB2 LYS 99 1HB LYS 99 16.859 -3.994 2.750 738 HB3 LYS 99 2HB LYS 99 18.428 -3.206 2.846 739 HG2 LYS 99 1HG LYS 99 17.560 -1.428 4.142 740 HG3 LYS 99 2HG LYS 99 15.894 -1.919 3.823 741 HD2 LYS 99 1HD LYS 99 16.153 -2.807 5.911 742 HD3 LYS 99 2HD LYS 99 16.731 -4.168 4.947 743 HE2 LYS 99 1HE LYS 99 19.040 -3.370 5.251 744 HE3 LYS 99 2HE LYS 99 18.439 -2.053 6.256 745 HZ1 LYS 99 1HZ LYS 99 17.477 -4.581 7.150 746 HZ2 LYS 99 2HZ LYS 99 18.323 -3.392 8.005 747 HZ3 LYS 99 3HZ LYS 99 19.169 -4.551 7.109 748 H ALA 100 H ALA 100 15.390 -3.570 0.034 749 HA ALA 100 HA ALA 100 13.254 -1.645 0.262 750 HB1 ALA 100 1HB ALA 100 13.922 -3.302 -1.714 751 HB2 ALA 100 2HB ALA 100 12.739 -4.322 -0.895 752 HB3 ALA 100 3HB ALA 100 12.273 -2.724 -1.477 753 H PHE 101 H PHE 101 11.545 -1.710 1.593 754 HA PHE 101 HA PHE 101 11.040 -4.169 3.118 755 HB2 PHE 101 1HB PHE 101 10.827 -2.978 5.177 756 HB3 PHE 101 2HB PHE 101 12.356 -2.482 4.460 757 HD1 PHE 101 1HD PHE 101 8.793 -1.455 4.731 758 HD2 PHE 101 2HD PHE 101 12.836 -0.234 4.208 759 HE1 PHE 101 1HE PHE 101 8.099 0.899 4.895 760 HE2 PHE 101 2HE PHE 101 12.149 2.123 4.372 761 HZ PHE 101 HZ PHE 101 9.778 2.692 4.717 762 H ASN 102 H ASN 102 8.888 -4.445 3.849 763 HA ASN 102 HA ASN 102 6.863 -2.522 3.131 764 HB2 ASN 102 1HB ASN 102 5.720 -3.776 1.491 765 HB3 ASN 102 2HB ASN 102 7.412 -3.851 1.010 766 HD21 ASN 102 1HD2 ASN 102 5.584 -5.668 0.083 767 HD22 ASN 102 2HD2 ASN 102 5.923 -7.223 0.755 768 H ASN 103 H ASN 103 4.599 -3.862 3.340 769 HA ASN 103 HA ASN 103 4.206 -4.327 6.014 770 HB2 ASN 103 1HB ASN 103 2.478 -4.074 4.118 771 HB3 ASN 103 2HB ASN 103 2.624 -5.820 3.932 772 HD21 ASN 103 1HD2 ASN 103 2.494 -6.999 6.130 773 HD22 ASN 103 2HD2 ASN 103 1.185 -6.510 7.146 774 H VAL 104 H VAL 104 4.964 -6.710 3.503 775 HA VAL 104 HA VAL 104 4.778 -9.010 5.095 776 HB VAL 104 HB VAL 104 6.582 -8.540 2.717 777 HG11 VAL 104 1HG1 VAL 104 5.738 -11.217 2.865 778 HG12 VAL 104 2HG1 VAL 104 7.368 -10.582 3.097 779 HG13 VAL 104 3HG1 VAL 104 6.291 -10.779 4.481 780 HG21 VAL 104 1HG2 VAL 104 4.813 -9.482 1.378 781 HG22 VAL 104 2HG2 VAL 104 3.824 -9.758 2.812 782 HG23 VAL 104 3HG2 VAL 104 4.178 -8.112 2.288 783 H GLY 105 H GLY 105 7.592 -6.976 4.309 784 HA2 GLY 105 1HA GLY 105 8.834 -6.988 6.733 785 HA3 GLY 105 2HA GLY 105 9.347 -8.503 6.005 786 H GLU 106 H GLU 106 11.512 -7.658 6.100 787 HA GLU 106 HA GLU 106 12.077 -5.548 4.134 788 HB2 GLU 106 1HB GLU 106 13.849 -6.672 6.310 789 HB3 GLU 106 2HB GLU 106 14.272 -5.357 5.223 790 HG2 GLU 106 1HG GLU 106 12.546 -3.965 6.163 791 HG3 GLU 106 2HG GLU 106 11.986 -5.292 7.179 792 H GLY 107 H GLY 107 14.029 -5.824 2.792 793 HA2 GLY 107 1HA GLY 107 14.264 -8.634 1.932 794 HA3 GLY 107 2HA GLY 107 14.493 -7.239 0.888 795 H ILE 108 H ILE 108 16.538 -7.716 0.193 796 HA ILE 108 HA ILE 108 18.626 -8.019 2.237 797 HB ILE 108 HB ILE 108 19.977 -8.470 -0.029 798 HG12 ILE 108 1HG1 ILE 108 17.728 -8.075 -1.260 799 HG13 ILE 108 2HG1 ILE 108 18.721 -9.447 -1.740 800 HG21 ILE 108 1HG2 ILE 108 19.733 -9.945 1.956 801 HG22 ILE 108 2HG2 ILE 108 18.233 -10.558 1.264 802 HG23 ILE 108 3HG2 ILE 108 19.761 -10.817 0.424 803 HD11 ILE 108 1HD1 ILE 108 16.618 -9.852 0.322 804 HD12 ILE 108 2HD1 ILE 108 16.149 -9.708 -1.373 805 HD13 ILE 108 3HD1 ILE 108 17.265 -10.978 -0.871 806 HA PRO 109 HA PRO 109 19.718 -3.780 1.412 807 HB2 PRO 109 1HB PRO 109 21.868 -3.720 3.068 808 HB3 PRO 109 2HB PRO 109 20.203 -3.633 3.653 809 HG2 PRO 109 1HG PRO 109 22.051 -5.985 3.542 810 HG3 PRO 109 2HG PRO 109 20.954 -5.485 4.842 811 HD2 PRO 109 1HD PRO 109 20.339 -7.464 3.099 812 HD3 PRO 109 2HD PRO 109 19.108 -6.399 3.808 813 H LEU 110 H LEU 110 21.512 -2.618 0.501 814 HA LEU 110 HA LEU 110 23.330 -4.360 -1.024 815 HB2 LEU 110 1HB LEU 110 22.187 -1.645 -1.628 816 HB3 LEU 110 2HB LEU 110 23.528 -2.339 -2.537 817 HG LEU 110 HG LEU 110 21.020 -3.924 -2.310 818 HD11 LEU 110 1HD1 LEU 110 19.881 -2.059 -2.959 819 HD12 LEU 110 2HD1 LEU 110 20.430 -2.629 -4.534 820 HD13 LEU 110 3HD1 LEU 110 21.292 -1.323 -3.720 821 HD21 LEU 110 1HD2 LEU 110 21.823 -5.005 -4.124 822 HD22 LEU 110 2HD2 LEU 110 23.362 -4.364 -3.548 823 HD23 LEU 110 3HD2 LEU 110 22.490 -3.538 -4.841 824 H TYR 111 H TYR 111 25.453 -3.342 -1.587 825 HA TYR 111 HA TYR 111 26.451 -1.710 0.655 826 HB2 TYR 111 1HB TYR 111 27.528 -4.197 -0.579 827 HB3 TYR 111 2HB TYR 111 28.687 -2.983 -0.047 828 HD1 TYR 111 2HD TYR 111 25.598 -4.651 1.251 829 HD2 TYR 111 1HD TYR 111 29.518 -3.222 2.085 830 HE1 TYR 111 2HE TYR 111 25.406 -5.487 3.556 831 HE2 TYR 111 1HE TYR 111 29.337 -4.055 4.393 832 HH TYR 111 HH TYR 111 26.525 -4.850 5.845 833 H GLU 112 H GLU 112 27.273 0.182 0.077 834 HA GLU 112 HA GLU 112 28.475 0.457 -2.591 835 HB2 GLU 112 1HB GLU 112 26.249 2.019 -1.392 836 HB3 GLU 112 2HB GLU 112 27.451 2.915 -2.311 837 HG2 GLU 112 1HG GLU 112 25.348 2.043 -3.510 838 HG3 GLU 112 2HG GLU 112 26.917 1.868 -4.294 839 H SER 113 H SER 113 29.783 2.516 -2.756 840 HA SER 113 HA SER 113 30.905 3.386 -0.200 841 HB2 SER 113 1HB SER 113 32.401 1.961 -2.380 842 HB3 SER 113 2HB SER 113 33.231 3.134 -1.357 843 HG SER 113 HG SER 113 33.350 1.621 0.079 844 H ALA 114 H ALA 114 31.761 5.441 -0.217 845 HA ALA 114 HA ALA 114 32.125 6.874 -2.701 846 HB1 ALA 114 1HB ALA 114 29.594 6.921 -1.586 847 HB2 ALA 114 2HB ALA 114 30.329 8.428 -1.039 848 HB3 ALA 114 3HB ALA 114 30.244 8.064 -2.762 849 H VAL 115 H VAL 115 33.897 8.046 -2.424 850 HA VAL 115 HA VAL 115 34.684 8.836 0.284 851 HB VAL 115 HB VAL 115 36.296 8.899 -2.271 852 HG11 VAL 115 1HG1 VAL 115 38.019 9.788 -1.129 853 HG12 VAL 115 2HG1 VAL 115 36.753 10.371 -0.046 854 HG13 VAL 115 3HG1 VAL 115 37.640 8.896 0.344 855 HG21 VAL 115 1HG2 VAL 115 37.005 7.023 -0.121 856 HG22 VAL 115 2HG2 VAL 115 35.500 6.664 -0.966 857 HG23 VAL 115 3HG2 VAL 115 37.007 6.799 -1.870 858 H THR 116 H THR 116 33.861 10.751 0.855 859 HA THR 116 HA THR 116 32.955 12.791 -0.746 860 HB THR 116 HB THR 116 33.552 14.318 1.246 861 HG1 THR 116 1HG THR 116 34.079 13.119 3.149 862 HG21 THR 116 1HG2 THR 116 31.376 13.821 1.486 863 HG22 THR 116 2HG2 THR 116 31.917 12.644 2.683 864 HG23 THR 116 3HG2 THR 116 31.618 12.138 1.020 865 H ARG 117 H ARG 117 33.809 14.576 -1.724 866 HA ARG 117 HA ARG 117 36.559 14.479 -2.464 867 HB2 ARG 117 1HB ARG 117 34.320 16.417 -2.988 868 HB3 ARG 117 2HB ARG 117 35.965 16.767 -3.504 869 HG2 ARG 117 1HG ARG 117 35.986 14.732 -4.847 870 HG3 ARG 117 2HG ARG 117 34.343 14.364 -4.318 871 HD2 ARG 117 1HD ARG 117 33.986 15.366 -6.371 872 HD3 ARG 117 2HD ARG 117 33.787 16.717 -5.255 873 HE ARG 117 HE ARG 117 36.365 16.941 -5.867 874 HH11 ARG 117 2HH1 ARG 117 33.593 16.393 -7.900 875 HH12 ARG 117 1HH1 ARG 117 34.278 17.197 -9.274 876 HH21 ARG 117 2HH2 ARG 117 37.278 18.001 -7.669 877 HH22 ARG 117 1HH2 ARG 117 36.375 18.110 -9.142 878 HA PRO 118 HA PRO 118 38.459 16.997 0.587 879 HB2 PRO 118 1HB PRO 118 40.350 18.279 -0.879 880 HB3 PRO 118 2HB PRO 118 40.455 16.564 -0.466 881 HG2 PRO 118 1HG PRO 118 39.540 17.846 -3.012 882 HG3 PRO 118 2HG PRO 118 40.584 16.431 -2.784 883 HD2 PRO 118 1HD PRO 118 37.957 16.219 -3.405 884 HD3 PRO 118 2HD PRO 118 38.801 15.020 -2.404 885 H HIS 119 H HIS 119 37.412 18.666 1.473 886 HA HIS 119 HA HIS 119 36.369 20.826 -0.130 887 HB2 HIS 119 1HB HIS 119 35.085 19.968 1.776 888 HB3 HIS 119 2HB HIS 119 36.383 20.433 2.870 889 HD1 HIS 119 1HD HIS 119 34.582 22.396 0.145 890 HD2 HIS 119 2HD HIS 119 35.499 22.613 4.191 891 HE1 HIS 119 1HE HIS 119 33.690 24.616 0.919 892 HE2 HIS 119 2HE HIS 119 34.332 24.762 3.350 893 H THR 120 H THR 120 39.080 20.768 -0.447 894 HA THR 120 HA THR 120 40.146 22.892 1.272 895 HB THR 120 HB THR 120 42.341 22.351 0.268 896 HG1 THR 120 1HG THR 120 42.523 20.677 -1.179 897 HG21 THR 120 1HG2 THR 120 41.215 21.105 2.280 898 HG22 THR 120 2HG2 THR 120 42.729 20.507 1.600 899 HG23 THR 120 3HG2 THR 120 41.202 19.739 1.165 900 H SER 121 H SER 121 38.173 23.612 -0.606 901 HA SER 121 HA SER 121 39.764 25.206 -2.509 902 HB2 SER 121 1HB SER 121 37.068 23.898 -2.867 903 HB3 SER 121 2HB SER 121 37.623 25.206 -3.913 904 HG SER 121 HG SER 121 38.388 23.510 -4.964 905 H GLY 122 H GLY 122 38.582 27.228 -3.223 906 HA2 GLY 122 1HA GLY 122 36.999 28.956 -2.714 907 HA3 GLY 122 2HA GLY 122 36.898 28.329 -1.075 908 HA PRO 123 HA PRO 123 41.135 30.636 -1.287 909 HB2 PRO 123 1HB PRO 123 41.700 31.975 -3.580 910 HB3 PRO 123 2HB PRO 123 42.158 30.289 -3.314 911 HG2 PRO 123 1HG PRO 123 39.829 31.403 -4.829 912 HG3 PRO 123 2HG PRO 123 40.912 30.068 -5.265 913 HD2 PRO 123 1HD PRO 123 38.446 29.662 -4.222 914 HD3 PRO 123 2HD PRO 123 39.806 28.563 -3.914 915 H SER 124 H SER 124 41.807 33.089 -1.669 916 HA SER 124 HA SER 124 39.438 34.655 -0.951 917 HB2 SER 124 1HB SER 124 41.469 34.563 0.568 918 HB3 SER 124 2HB SER 124 42.328 35.489 -0.663 919 HG SER 124 HG SER 124 39.935 36.297 0.637 920 H SER 125 H SER 125 39.732 34.055 -3.662 921 HA SER 125 HA SER 125 40.876 36.402 -4.944 922 HB2 SER 125 1HB SER 125 40.131 35.241 -7.056 923 HB3 SER 125 2HB SER 125 41.276 34.324 -6.078 924 HG SER 125 HG SER 125 39.536 33.022 -6.765 925 H GLY 126 H GLY 126 37.712 34.747 -5.086 926 HA2 GLY 126 1HA GLY 126 36.482 37.406 -5.485 927 HA3 GLY 126 2HA GLY 126 35.888 35.943 -6.256 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -19.725 22.218 -43.700 2 HA2 GLY 1 1HA GLY 1 -19.852 19.506 -44.000 3 HA3 GLY 1 2HA GLY 1 -18.757 20.296 -42.875 4 H SER 2 H SER 2 -22.065 19.059 -43.185 5 HA SER 2 HA SER 2 -22.842 19.181 -40.531 6 HB2 SER 2 1HB SER 2 -24.403 17.342 -41.066 7 HB3 SER 2 2HB SER 2 -24.382 18.568 -42.333 8 HG SER 2 HG SER 2 -22.623 17.006 -43.190 9 H SER 3 H SER 3 -21.042 16.624 -42.201 10 HA SER 3 HA SER 3 -20.820 15.006 -39.835 11 HB2 SER 3 1HB SER 3 -20.814 14.201 -42.285 12 HB3 SER 3 2HB SER 3 -19.123 14.699 -42.305 13 HG SER 3 HG SER 3 -20.352 12.600 -40.944 14 H GLY 4 H GLY 4 -18.569 14.246 -39.154 15 HA2 GLY 4 1HA GLY 4 -16.199 15.503 -39.448 16 HA3 GLY 4 2HA GLY 4 -17.071 16.601 -38.388 17 H SER 5 H SER 5 -14.708 14.607 -38.151 18 HA SER 5 HA SER 5 -15.356 13.812 -35.446 19 HB2 SER 5 1HB SER 5 -16.100 11.943 -37.086 20 HB3 SER 5 2HB SER 5 -14.374 11.634 -37.273 21 HG SER 5 HG SER 5 -15.380 11.856 -34.681 22 H SER 6 H SER 6 -13.653 14.347 -34.270 23 HA SER 6 HA SER 6 -11.094 14.836 -35.496 24 HB2 SER 6 1HB SER 6 -12.262 15.226 -32.769 25 HB3 SER 6 2HB SER 6 -10.509 15.240 -32.954 26 HG SER 6 HG SER 6 -10.716 16.937 -34.418 27 H GLY 7 H GLY 7 -12.113 12.798 -32.743 28 HA2 GLY 7 1HA GLY 7 -11.510 10.420 -32.788 29 HA3 GLY 7 2HA GLY 7 -9.987 10.900 -33.522 30 HA PRO 8 HA PRO 8 -9.946 12.064 -28.792 31 HB2 PRO 8 1HB PRO 8 -11.586 10.524 -27.273 32 HB3 PRO 8 2HB PRO 8 -12.085 12.078 -27.951 33 HG2 PRO 8 1HG PRO 8 -12.636 9.311 -28.951 34 HG3 PRO 8 2HG PRO 8 -13.733 10.701 -28.842 35 HD2 PRO 8 1HD PRO 8 -12.547 9.960 -31.160 36 HD3 PRO 8 2HD PRO 8 -12.922 11.653 -30.778 37 H ALA 9 H ALA 9 -8.718 11.021 -27.163 38 HA ALA 9 HA ALA 9 -8.283 8.160 -27.330 39 HB1 ALA 9 1HB ALA 9 -5.845 9.868 -27.620 40 HB2 ALA 9 2HB ALA 9 -6.070 8.161 -28.004 41 HB3 ALA 9 3HB ALA 9 -6.778 9.398 -29.041 42 H THR 10 H THR 10 -6.218 7.710 -25.791 43 HA THR 10 HA THR 10 -6.302 9.457 -23.455 44 HB THR 10 HB THR 10 -6.898 6.501 -23.233 45 HG1 THR 10 1HG THR 10 -8.984 7.359 -22.500 46 HG21 THR 10 1HG2 THR 10 -7.543 7.341 -20.858 47 HG22 THR 10 2HG2 THR 10 -6.494 8.705 -21.246 48 HG23 THR 10 3HG2 THR 10 -5.845 7.066 -21.243 49 H ASP 11 H ASP 11 -4.254 9.846 -22.962 50 HA ASP 11 HA ASP 11 -2.220 7.827 -23.572 51 HB2 ASP 11 1HB ASP 11 -2.118 10.794 -23.095 52 HB3 ASP 11 2HB ASP 11 -0.660 9.811 -22.990 53 H TRP 12 H TRP 12 -0.464 7.502 -22.008 54 HA TRP 12 HA TRP 12 -1.398 6.692 -19.516 55 HB2 TRP 12 1HB TRP 12 1.474 7.429 -20.078 56 HB3 TRP 12 2HB TRP 12 0.867 6.216 -18.954 57 HD1 TRP 12 HD TRP 12 1.250 6.814 -22.746 58 HE1 TRP 12 1HE TRP 12 1.314 4.523 -23.918 59 HE3 TRP 12 3HE TRP 12 0.281 3.816 -18.720 60 HZ2 TRP 12 2HZ TRP 12 0.995 1.805 -23.227 61 HZ3 TRP 12 3HZ TRP 12 0.177 1.382 -19.061 62 HH2 TRP 12 HH TRP 12 0.526 0.399 -21.268 63 H LEU 13 H LEU 13 -1.945 7.790 -17.759 64 HA LEU 13 HA LEU 13 -0.652 10.385 -17.252 65 HB2 LEU 13 1HB LEU 13 -2.777 11.235 -16.389 66 HB3 LEU 13 2HB LEU 13 -2.877 10.805 -18.095 67 HG LEU 13 HG LEU 13 -3.771 8.805 -16.079 68 HD11 LEU 13 1HD1 LEU 13 -6.089 9.958 -16.404 69 HD12 LEU 13 2HD1 LEU 13 -5.114 11.402 -16.669 70 HD13 LEU 13 3HD1 LEU 13 -4.986 10.519 -15.147 71 HD21 LEU 13 1HD2 LEU 13 -4.663 9.608 -18.845 72 HD22 LEU 13 2HD2 LEU 13 -5.428 8.353 -17.870 73 HD23 LEU 13 3HD2 LEU 13 -3.755 8.164 -18.396 74 H SER 14 H SER 14 -0.967 11.097 -14.933 75 HA SER 14 HA SER 14 -0.071 8.992 -13.215 76 HB2 SER 14 1HB SER 14 0.123 10.732 -11.513 77 HB3 SER 14 2HB SER 14 0.785 11.311 -13.041 78 HG SER 14 HG SER 14 -1.612 12.072 -13.229 79 H ALA 15 H ALA 15 -1.853 7.551 -13.200 80 HA ALA 15 HA ALA 15 -4.437 8.356 -12.287 81 HB1 ALA 15 1HB ALA 15 -3.448 6.156 -13.587 82 HB2 ALA 15 2HB ALA 15 -3.805 5.525 -11.978 83 HB3 ALA 15 3HB ALA 15 -5.073 6.309 -12.919 84 H GLU 16 H GLU 16 -5.368 8.151 -10.287 85 HA GLU 16 HA GLU 16 -3.509 7.626 -8.068 86 HB2 GLU 16 1HB GLU 16 -4.932 9.034 -6.697 87 HB3 GLU 16 2HB GLU 16 -4.463 9.900 -8.153 88 HG2 GLU 16 1HG GLU 16 -7.073 8.441 -7.952 89 HG3 GLU 16 2HG GLU 16 -6.879 10.099 -7.385 90 H THR 17 H THR 17 -4.705 5.458 -9.383 91 HA THR 17 HA THR 17 -6.534 4.477 -7.290 92 HB THR 17 HB THR 17 -6.624 3.649 -10.195 93 HG1 THR 17 1HG THR 17 -7.335 5.852 -9.789 94 HG21 THR 17 1HG2 THR 17 -8.596 3.158 -7.962 95 HG22 THR 17 2HG2 THR 17 -7.402 1.983 -8.514 96 HG23 THR 17 3HG2 THR 17 -8.673 2.528 -9.607 97 H PHE 18 H PHE 18 -5.888 2.694 -6.268 98 HA PHE 18 HA PHE 18 -3.923 0.944 -7.579 99 HB2 PHE 18 1HB PHE 18 -3.803 2.112 -4.805 100 HB3 PHE 18 2HB PHE 18 -2.924 0.647 -5.232 101 HD1 PHE 18 2HD PHE 18 -3.365 4.198 -6.233 102 HD2 PHE 18 1HD PHE 18 -0.820 0.787 -6.194 103 HE1 PHE 18 2HE PHE 18 -1.522 5.568 -7.116 104 HE2 PHE 18 1HE PHE 18 1.028 2.151 -7.076 105 HZ PHE 18 HZ PHE 18 0.678 4.545 -7.540 106 H GLU 19 H GLU 19 -4.697 -1.044 -7.737 107 HA GLU 19 HA GLU 19 -6.948 -1.882 -6.127 108 HB2 GLU 19 1HB GLU 19 -5.483 -3.011 -8.481 109 HB3 GLU 19 2HB GLU 19 -6.523 -4.059 -7.528 110 HG2 GLU 19 1HG GLU 19 -8.340 -2.319 -7.888 111 HG3 GLU 19 2HG GLU 19 -7.278 -1.632 -9.116 112 H SER 20 H SER 20 -6.997 -3.677 -4.749 113 HA SER 20 HA SER 20 -4.490 -4.166 -3.376 114 HB2 SER 20 1HB SER 20 -6.907 -3.784 -2.363 115 HB3 SER 20 2HB SER 20 -7.034 -5.528 -2.593 116 HG SER 20 HG SER 20 -4.778 -5.351 -1.485 117 H ASP 21 H ASP 21 -4.147 -5.228 -5.772 118 HA ASP 21 HA ASP 21 -4.423 -8.126 -5.319 119 HB2 ASP 21 1HB ASP 21 -5.856 -7.032 -7.209 120 HB3 ASP 21 2HB ASP 21 -4.331 -6.980 -8.090 121 H LEU 22 H LEU 22 -2.238 -6.849 -4.365 122 HA LEU 22 HA LEU 22 -0.133 -7.489 -6.325 123 HB2 LEU 22 1HB LEU 22 -0.386 -5.325 -4.303 124 HB3 LEU 22 2HB LEU 22 1.220 -5.975 -4.627 125 HG LEU 22 HG LEU 22 0.730 -3.925 -5.905 126 HD11 LEU 22 1HD1 LEU 22 0.869 -5.619 -8.185 127 HD12 LEU 22 2HD1 LEU 22 1.766 -6.374 -6.868 128 HD13 LEU 22 3HD1 LEU 22 2.167 -4.735 -7.382 129 HD21 LEU 22 1HD2 LEU 22 -1.100 -5.354 -7.729 130 HD22 LEU 22 2HD2 LEU 22 -1.058 -3.654 -7.261 131 HD23 LEU 22 3HD2 LEU 22 -1.774 -4.850 -6.180 132 H ASP 23 H ASP 23 1.925 -8.242 -5.344 133 HA ASP 23 HA ASP 23 1.401 -10.389 -3.522 134 HB2 ASP 23 1HB ASP 23 3.147 -10.172 -5.506 135 HB3 ASP 23 2HB ASP 23 4.189 -9.579 -4.215 136 H GLU 24 H GLU 24 1.047 -9.903 -1.444 137 HA GLU 24 HA GLU 24 3.043 -8.220 -0.082 138 HB2 GLU 24 1HB GLU 24 0.759 -7.135 -0.415 139 HB3 GLU 24 2HB GLU 24 0.137 -8.335 0.709 140 HG2 GLU 24 1HG GLU 24 1.706 -7.519 2.417 141 HG3 GLU 24 2HG GLU 24 2.261 -6.283 1.289 142 H THR 25 H THR 25 3.137 -11.037 -0.344 143 HA THR 25 HA THR 25 2.495 -11.933 2.388 144 HB THR 25 HB THR 25 2.569 -14.228 1.547 145 HG1 THR 25 1HG THR 25 2.778 -13.185 -1.082 146 HG21 THR 25 1HG2 THR 25 0.683 -13.821 -0.315 147 HG22 THR 25 2HG2 THR 25 0.720 -12.213 0.409 148 HG23 THR 25 3HG2 THR 25 0.382 -13.624 1.411 149 H ARG 26 H ARG 26 5.017 -11.178 0.236 150 HA ARG 26 HA ARG 26 6.970 -12.294 2.127 151 HB2 ARG 26 1HB ARG 26 8.457 -12.845 0.227 152 HB3 ARG 26 2HB ARG 26 6.966 -13.777 0.212 153 HG2 ARG 26 1HG ARG 26 6.167 -12.735 -1.659 154 HG3 ARG 26 2HG ARG 26 7.078 -11.255 -1.357 155 HD2 ARG 26 1HD ARG 26 9.000 -12.083 -2.297 156 HD3 ARG 26 2HD ARG 26 8.579 -13.758 -1.940 157 HE ARG 26 HE ARG 26 7.928 -12.281 -4.307 158 HH11 ARG 26 2HH1 ARG 26 6.941 -14.896 -2.231 159 HH12 ARG 26 1HH1 ARG 26 6.066 -15.726 -3.475 160 HH21 ARG 26 2HH2 ARG 26 6.779 -13.364 -5.953 161 HH22 ARG 26 1HH2 ARG 26 5.975 -14.854 -5.592 162 H VAL 27 H VAL 27 9.040 -11.199 2.123 163 HA VAL 27 HA VAL 27 8.751 -8.369 1.997 164 HB VAL 27 HB VAL 27 11.171 -8.318 2.591 165 HG11 VAL 27 1HG1 VAL 27 9.219 -8.626 4.226 166 HG12 VAL 27 2HG1 VAL 27 9.760 -10.301 4.346 167 HG13 VAL 27 3HG1 VAL 27 10.845 -8.987 4.805 168 HG21 VAL 27 1HG2 VAL 27 11.392 -11.143 3.177 169 HG22 VAL 27 2HG2 VAL 27 11.199 -10.850 1.449 170 HG23 VAL 27 3HG2 VAL 27 12.515 -10.076 2.332 171 HA PRO 28 HA PRO 28 10.113 -7.452 -2.076 172 HB2 PRO 28 1HB PRO 28 11.356 -5.071 -1.675 173 HB3 PRO 28 2HB PRO 28 9.599 -5.260 -1.619 174 HG2 PRO 28 1HG PRO 28 11.563 -5.132 0.637 175 HG3 PRO 28 2HG PRO 28 9.977 -4.353 0.489 176 HD2 PRO 28 1HD PRO 28 10.362 -6.614 1.928 177 HD3 PRO 28 2HD PRO 28 8.841 -6.270 1.079 178 H GLU 29 H GLU 29 11.656 -8.871 -2.752 179 HA GLU 29 HA GLU 29 14.160 -9.321 -1.673 180 HB2 GLU 29 1HB GLU 29 13.468 -9.468 -4.611 181 HB3 GLU 29 2HB GLU 29 14.762 -10.331 -3.791 182 HG2 GLU 29 1HG GLU 29 13.350 -11.856 -2.861 183 HG3 GLU 29 2HG GLU 29 11.986 -10.739 -2.827 184 H VAL 30 H VAL 30 16.276 -8.671 -2.317 185 HA VAL 30 HA VAL 30 16.946 -6.101 -2.249 186 HB VAL 30 HB VAL 30 18.659 -7.796 -2.343 187 HG11 VAL 30 1HG1 VAL 30 17.368 -8.449 -4.864 188 HG12 VAL 30 2HG1 VAL 30 19.125 -8.355 -5.004 189 HG13 VAL 30 3HG1 VAL 30 18.390 -9.442 -3.826 190 HG21 VAL 30 1HG2 VAL 30 20.139 -6.712 -4.195 191 HG22 VAL 30 2HG2 VAL 30 18.795 -5.580 -4.343 192 HG23 VAL 30 3HG2 VAL 30 19.635 -5.754 -2.802 193 HA PRO 31 HA PRO 31 15.267 -4.032 -5.765 194 HB2 PRO 31 1HB PRO 31 16.789 -1.786 -5.656 195 HB3 PRO 31 2HB PRO 31 15.467 -2.106 -4.527 196 HG2 PRO 31 1HG PRO 31 18.411 -2.495 -4.155 197 HG3 PRO 31 2HG PRO 31 17.220 -1.821 -3.027 198 HD2 PRO 31 1HD PRO 31 18.122 -4.368 -2.843 199 HD3 PRO 31 2HD PRO 31 16.474 -3.902 -2.374 200 H SER 32 H SER 32 16.041 -2.928 -7.790 201 HA SER 32 HA SER 32 17.648 -4.594 -9.303 202 HB2 SER 32 1HB SER 32 16.728 -1.761 -9.653 203 HB3 SER 32 2HB SER 32 17.866 -2.457 -10.806 204 HG SER 32 HG SER 32 16.131 -4.281 -10.677 205 H SER 33 H SER 33 18.519 -1.522 -7.745 206 HA SER 33 HA SER 33 21.156 -2.329 -7.170 207 HB2 SER 33 1HB SER 33 21.290 -2.030 -9.690 208 HB3 SER 33 2HB SER 33 21.018 -0.310 -9.414 209 HG SER 33 HG SER 33 23.249 -1.878 -8.855 210 H LEU 34 H LEU 34 22.543 -0.091 -6.898 211 HA LEU 34 HA LEU 34 20.862 2.027 -5.836 212 HB2 LEU 34 1HB LEU 34 20.898 0.990 -3.820 213 HB3 LEU 34 2HB LEU 34 22.384 0.113 -4.177 214 HG LEU 34 HG LEU 34 23.601 2.311 -3.823 215 HD11 LEU 34 1HD1 LEU 34 20.827 3.097 -3.162 216 HD12 LEU 34 2HD1 LEU 34 22.150 4.049 -3.834 217 HD13 LEU 34 3HD1 LEU 34 22.105 3.699 -2.106 218 HD21 LEU 34 1HD2 LEU 34 22.600 1.940 -1.192 219 HD22 LEU 34 2HD2 LEU 34 24.105 1.343 -1.893 220 HD23 LEU 34 3HD2 LEU 34 22.638 0.369 -1.992 221 H HIS 35 H HIS 35 21.709 3.796 -6.699 222 HA HIS 35 HA HIS 35 24.597 3.929 -7.171 223 HB2 HIS 35 1HB HIS 35 23.630 4.555 -9.157 224 HB3 HIS 35 2HB HIS 35 22.213 5.249 -8.374 225 HD1 HIS 35 1HD HIS 35 24.794 6.348 -10.382 226 HD2 HIS 35 2HD HIS 35 23.346 7.677 -6.721 227 HE1 HIS 35 1HE HIS 35 25.551 8.738 -10.187 228 HE2 HIS 35 2HE HIS 35 24.736 9.495 -7.927 229 H VAL 36 H VAL 36 25.854 5.669 -6.458 230 HA VAL 36 HA VAL 36 24.628 7.538 -4.568 231 HB VAL 36 HB VAL 36 26.607 7.162 -3.017 232 HG11 VAL 36 1HG1 VAL 36 24.132 5.749 -3.283 233 HG12 VAL 36 2HG1 VAL 36 25.349 4.685 -2.575 234 HG13 VAL 36 3HG1 VAL 36 24.983 6.236 -1.818 235 HG21 VAL 36 1HG2 VAL 36 26.858 4.378 -3.855 236 HG22 VAL 36 2HG2 VAL 36 27.497 5.526 -5.032 237 HG23 VAL 36 3HG2 VAL 36 28.101 5.534 -3.375 238 H ARG 37 H ARG 37 25.693 9.497 -4.362 239 HA ARG 37 HA ARG 37 28.066 9.882 -6.060 240 HB2 ARG 37 1HB ARG 37 25.972 10.718 -7.154 241 HB3 ARG 37 2HB ARG 37 25.781 11.842 -5.815 242 HG2 ARG 37 1HG ARG 37 28.048 12.760 -6.407 243 HG3 ARG 37 2HG ARG 37 27.966 11.784 -7.875 244 HD2 ARG 37 1HD ARG 37 25.688 12.936 -8.244 245 HD3 ARG 37 2HD ARG 37 26.258 14.105 -7.053 246 HE ARG 37 HE ARG 37 27.579 15.008 -8.673 247 HH11 ARG 37 2HH1 ARG 37 26.810 11.735 -9.576 248 HH12 ARG 37 1HH1 ARG 37 27.591 11.839 -11.119 249 HH21 ARG 37 2HH2 ARG 37 28.611 15.157 -10.702 250 HH22 ARG 37 1HH2 ARG 37 28.616 13.786 -11.758 251 HA PRO 38 HA PRO 38 29.415 11.434 -2.058 252 HB2 PRO 38 1HB PRO 38 32.038 11.571 -2.743 253 HB3 PRO 38 2HB PRO 38 31.244 10.061 -2.278 254 HG2 PRO 38 1HG PRO 38 31.866 11.111 -5.012 255 HG3 PRO 38 2HG PRO 38 32.051 9.466 -4.376 256 HD2 PRO 38 1HD PRO 38 29.957 10.201 -5.928 257 HD3 PRO 38 2HD PRO 38 29.817 8.972 -4.655 258 H LEU 39 H LEU 39 29.186 13.509 -1.540 259 HA LEU 39 HA LEU 39 30.184 15.551 -3.416 260 HB2 LEU 39 1HB LEU 39 27.715 15.363 -1.787 261 HB3 LEU 39 2HB LEU 39 28.451 16.956 -1.956 262 HG LEU 39 HG LEU 39 28.374 16.410 -4.508 263 HD11 LEU 39 1HD1 LEU 39 25.899 15.056 -4.319 264 HD12 LEU 39 2HD1 LEU 39 27.088 14.125 -3.407 265 HD13 LEU 39 3HD1 LEU 39 27.387 14.519 -5.100 266 HD21 LEU 39 1HD2 LEU 39 27.122 18.186 -3.292 267 HD22 LEU 39 2HD2 LEU 39 25.821 17.024 -3.028 268 HD23 LEU 39 3HD2 LEU 39 26.251 17.509 -4.668 269 H VAL 40 H VAL 40 31.077 17.480 -2.505 270 HA VAL 40 HA VAL 40 33.084 17.329 -0.785 271 HB VAL 40 HB VAL 40 31.127 19.632 -0.785 272 HG11 VAL 40 1HG1 VAL 40 32.389 20.448 0.860 273 HG12 VAL 40 2HG1 VAL 40 33.585 19.164 0.678 274 HG13 VAL 40 3HG1 VAL 40 33.680 20.608 -0.331 275 HG21 VAL 40 1HG2 VAL 40 33.624 19.956 -2.242 276 HG22 VAL 40 2HG2 VAL 40 32.626 18.651 -2.884 277 HG23 VAL 40 3HG2 VAL 40 31.967 20.282 -2.751 278 H THR 41 H THR 41 30.009 18.595 0.495 279 HA THR 41 HA THR 41 30.605 17.206 3.027 280 HB THR 41 HB THR 41 29.276 19.026 4.141 281 HG1 THR 41 1HG THR 41 28.199 20.198 2.726 282 HG21 THR 41 1HG2 THR 41 31.567 20.323 2.732 283 HG22 THR 41 2HG2 THR 41 31.874 18.918 3.754 284 HG23 THR 41 3HG2 THR 41 31.129 20.362 4.440 285 H SER 42 H SER 42 28.960 16.437 0.609 286 HA SER 42 HA SER 42 26.618 15.578 2.116 287 HB2 SER 42 1HB SER 42 26.103 16.623 -0.637 288 HB3 SER 42 2HB SER 42 25.007 16.500 0.740 289 HG SER 42 HG SER 42 26.102 18.251 1.688 290 H ILE 43 H ILE 43 25.203 14.205 0.399 291 HA ILE 43 HA ILE 43 26.787 12.732 -1.495 292 HB ILE 43 HB ILE 43 25.847 11.315 1.002 293 HG12 ILE 43 1HG1 ILE 43 28.606 11.988 -0.031 294 HG13 ILE 43 2HG1 ILE 43 27.869 12.531 1.472 295 HG21 ILE 43 1HG2 ILE 43 26.252 9.322 0.010 296 HG22 ILE 43 2HG2 ILE 43 25.871 10.238 -1.447 297 HG23 ILE 43 3HG2 ILE 43 27.552 9.962 -0.995 298 HD11 ILE 43 1HD1 ILE 43 29.073 10.873 2.367 299 HD12 ILE 43 2HD1 ILE 43 27.758 9.849 1.789 300 HD13 ILE 43 3HD1 ILE 43 29.230 10.018 0.833 301 H VAL 44 H VAL 44 25.335 12.784 -3.094 302 HA VAL 44 HA VAL 44 22.507 12.546 -2.613 303 HB VAL 44 HB VAL 44 24.009 12.570 -5.235 304 HG11 VAL 44 1HG1 VAL 44 21.298 13.564 -5.287 305 HG12 VAL 44 2HG1 VAL 44 22.062 12.324 -6.283 306 HG13 VAL 44 3HG1 VAL 44 21.359 11.894 -4.723 307 HG21 VAL 44 1HG2 VAL 44 24.081 14.593 -3.548 308 HG22 VAL 44 2HG2 VAL 44 23.870 14.857 -5.279 309 HG23 VAL 44 3HG2 VAL 44 22.473 14.903 -4.204 310 H VAL 45 H VAL 45 21.985 10.543 -1.856 311 HA VAL 45 HA VAL 45 23.003 8.158 -3.155 312 HB VAL 45 HB VAL 45 20.978 8.421 -0.927 313 HG11 VAL 45 1HG1 VAL 45 22.137 6.120 -2.375 314 HG12 VAL 45 2HG1 VAL 45 22.016 5.970 -0.621 315 HG13 VAL 45 3HG1 VAL 45 20.572 6.291 -1.581 316 HG21 VAL 45 1HG2 VAL 45 23.902 7.711 -0.744 317 HG22 VAL 45 2HG2 VAL 45 23.246 9.312 -0.402 318 HG23 VAL 45 3HG2 VAL 45 22.770 7.934 0.591 319 H SER 46 H SER 46 22.147 7.808 -5.124 320 HA SER 46 HA SER 46 19.225 7.992 -5.422 321 HB2 SER 46 1HB SER 46 21.064 7.717 -7.768 322 HB3 SER 46 2HB SER 46 19.504 8.531 -7.659 323 HG SER 46 HG SER 46 20.892 9.902 -6.054 324 H TRP 47 H TRP 47 18.119 6.163 -5.509 325 HA TRP 47 HA TRP 47 19.504 3.721 -6.405 326 HB2 TRP 47 1HB TRP 47 18.186 2.436 -4.806 327 HB3 TRP 47 2HB TRP 47 19.090 3.696 -3.971 328 HD1 TRP 47 HD TRP 47 15.550 2.566 -4.745 329 HE1 TRP 47 1HE TRP 47 13.895 3.999 -3.390 330 HE3 TRP 47 3HE TRP 47 18.799 6.085 -2.955 331 HZ2 TRP 47 2HZ TRP 47 13.959 6.314 -1.777 332 HZ3 TRP 47 3HZ TRP 47 17.922 7.875 -1.514 333 HH2 TRP 47 HH TRP 47 15.551 7.986 -0.938 334 H THR 48 H THR 48 17.553 1.957 -6.672 335 HA THR 48 HA THR 48 15.393 3.184 -8.223 336 HB THR 48 HB THR 48 15.847 1.193 -9.903 337 HG1 THR 48 1HG THR 48 18.078 0.811 -10.123 338 HG21 THR 48 1HG2 THR 48 17.142 3.897 -9.803 339 HG22 THR 48 2HG2 THR 48 15.785 3.349 -10.789 340 HG23 THR 48 3HG2 THR 48 17.422 2.812 -11.164 341 HA PRO 49 HA PRO 49 12.870 0.079 -6.412 342 HB2 PRO 49 1HB PRO 49 11.014 -0.295 -8.357 343 HB3 PRO 49 2HB PRO 49 11.073 1.158 -7.353 344 HG2 PRO 49 1HG PRO 49 12.105 0.732 -10.131 345 HG3 PRO 49 2HG PRO 49 11.222 2.119 -9.465 346 HD2 PRO 49 1HD PRO 49 13.908 2.129 -9.806 347 HD3 PRO 49 2HD PRO 49 13.110 3.012 -8.489 348 HA PRO 50 HA PRO 50 14.134 -3.911 -7.779 349 HB2 PRO 50 1HB PRO 50 12.117 -5.435 -6.788 350 HB3 PRO 50 2HB PRO 50 13.359 -4.703 -5.766 351 HG2 PRO 50 1HG PRO 50 10.570 -3.768 -6.323 352 HG3 PRO 50 2HG PRO 50 11.448 -3.814 -4.783 353 HD2 PRO 50 1HD PRO 50 11.167 -1.544 -6.232 354 HD3 PRO 50 2HD PRO 50 12.601 -1.871 -5.238 355 H GLU 51 H GLU 51 14.059 -4.666 -9.792 356 HA GLU 51 HA GLU 51 12.352 -4.151 -11.789 357 HB2 GLU 51 1HB GLU 51 14.023 -6.534 -11.179 358 HB3 GLU 51 2HB GLU 51 12.862 -6.680 -12.491 359 HG2 GLU 51 1HG GLU 51 13.870 -4.908 -13.699 360 HG3 GLU 51 2HG GLU 51 14.872 -4.455 -12.321 361 H ASN 52 H ASN 52 11.753 -6.365 -9.163 362 HA ASN 52 HA ASN 52 9.326 -7.397 -10.381 363 HB2 ASN 52 1HB ASN 52 10.925 -8.770 -8.936 364 HB3 ASN 52 2HB ASN 52 10.269 -7.890 -7.559 365 HD21 ASN 52 1HD2 ASN 52 10.063 -10.690 -9.138 366 HD22 ASN 52 2HD2 ASN 52 8.418 -11.114 -8.821 367 H GLN 53 H GLN 53 7.768 -5.870 -10.477 368 HA GLN 53 HA GLN 53 7.311 -4.029 -8.308 369 HB2 GLN 53 1HB GLN 53 6.812 -3.010 -10.312 370 HB3 GLN 53 2HB GLN 53 6.147 -4.478 -11.016 371 HG2 GLN 53 1HG GLN 53 4.312 -3.071 -10.732 372 HG3 GLN 53 2HG GLN 53 4.221 -4.200 -9.382 373 HE21 GLN 53 1HE2 GLN 53 5.770 -3.296 -7.501 374 HE22 GLN 53 2HE2 GLN 53 5.369 -1.684 -7.024 375 H ASN 54 H ASN 54 5.884 -6.994 -9.516 376 HA ASN 54 HA ASN 54 3.430 -7.131 -8.425 377 HB2 ASN 54 1HB ASN 54 5.522 -9.307 -8.198 378 HB3 ASN 54 2HB ASN 54 3.781 -9.541 -8.067 379 HD21 ASN 54 1HD2 ASN 54 2.515 -9.467 -9.900 380 HD22 ASN 54 2HD2 ASN 54 3.181 -9.511 -11.493 381 H ILE 55 H ILE 55 6.458 -7.246 -6.649 382 HA ILE 55 HA ILE 55 5.243 -7.873 -4.130 383 HB ILE 55 HB ILE 55 7.965 -6.653 -4.576 384 HG12 ILE 55 1HG1 ILE 55 7.291 -9.595 -4.422 385 HG13 ILE 55 2HG1 ILE 55 7.551 -8.736 -5.936 386 HG21 ILE 55 1HG2 ILE 55 7.882 -6.620 -2.336 387 HG22 ILE 55 2HG2 ILE 55 6.513 -7.729 -2.274 388 HG23 ILE 55 3HG2 ILE 55 8.150 -8.359 -2.460 389 HD11 ILE 55 1HD1 ILE 55 9.482 -9.659 -3.925 390 HD12 ILE 55 2HD1 ILE 55 9.650 -9.477 -5.672 391 HD13 ILE 55 3HD1 ILE 55 9.799 -8.070 -4.620 392 H VAL 56 H VAL 56 4.873 -6.515 -2.381 393 HA VAL 56 HA VAL 56 4.376 -3.731 -3.096 394 HB VAL 56 HB VAL 56 3.616 -5.249 -0.596 395 HG11 VAL 56 1HG1 VAL 56 3.329 -2.431 -1.430 396 HG12 VAL 56 2HG1 VAL 56 1.914 -3.178 -0.686 397 HG13 VAL 56 3HG1 VAL 56 3.448 -3.132 0.183 398 HG21 VAL 56 1HG2 VAL 56 1.339 -4.544 -2.053 399 HG22 VAL 56 2HG2 VAL 56 2.475 -5.186 -3.240 400 HG23 VAL 56 3HG2 VAL 56 2.015 -6.160 -1.843 401 H VAL 57 H VAL 57 5.311 -1.987 -2.107 402 HA VAL 57 HA VAL 57 7.304 -2.486 -0.012 403 HB VAL 57 HB VAL 57 7.922 -0.629 -2.296 404 HG11 VAL 57 1HG1 VAL 57 9.980 -2.062 -0.713 405 HG12 VAL 57 2HG1 VAL 57 9.992 -0.426 -1.374 406 HG13 VAL 57 3HG1 VAL 57 9.080 -0.778 0.094 407 HG21 VAL 57 1HG2 VAL 57 9.336 -2.429 -3.234 408 HG22 VAL 57 2HG2 VAL 57 8.628 -3.554 -2.075 409 HG23 VAL 57 3HG2 VAL 57 7.613 -2.801 -3.305 410 H ARG 58 H ARG 58 7.272 -1.021 1.582 411 HA ARG 58 HA ARG 58 5.581 1.356 1.207 412 HB2 ARG 58 1HB ARG 58 6.290 -0.246 3.660 413 HB3 ARG 58 2HB ARG 58 5.549 1.346 3.758 414 HG2 ARG 58 1HG ARG 58 4.316 -0.895 2.189 415 HG3 ARG 58 2HG ARG 58 4.008 -0.661 3.911 416 HD2 ARG 58 1HD ARG 58 3.388 1.744 3.273 417 HD3 ARG 58 2HD ARG 58 3.322 1.147 1.615 418 HE ARG 58 HE ARG 58 1.774 -0.525 3.259 419 HH11 ARG 58 2HH1 ARG 58 1.771 2.698 1.944 420 HH12 ARG 58 1HH1 ARG 58 0.043 2.831 1.929 421 HH21 ARG 58 2HH2 ARG 58 -0.501 -0.363 3.244 422 HH22 ARG 58 1HH2 ARG 58 -1.248 1.089 2.670 423 H GLY 59 H GLY 59 8.511 0.970 0.571 424 HA2 GLY 59 1HA GLY 59 9.784 3.141 0.571 425 HA3 GLY 59 2HA GLY 59 9.576 3.104 2.315 426 H TYR 60 H TYR 60 12.058 3.370 1.716 427 HA TYR 60 HA TYR 60 13.222 0.681 1.994 428 HB2 TYR 60 1HB TYR 60 14.693 2.895 0.592 429 HB3 TYR 60 2HB TYR 60 14.987 1.160 0.527 430 HD1 TYR 60 2HD TYR 60 12.818 3.884 -0.675 431 HD2 TYR 60 1HD TYR 60 13.810 -0.239 -1.020 432 HE1 TYR 60 2HE TYR 60 11.488 3.743 -2.739 433 HE2 TYR 60 1HE TYR 60 12.484 -0.392 -3.085 434 HH TYR 60 HH TYR 60 11.742 1.382 -4.931 435 H ALA 61 H ALA 61 15.382 0.701 3.026 436 HA ALA 61 HA ALA 61 15.562 2.863 5.021 437 HB1 ALA 61 1HB ALA 61 15.481 1.298 6.588 438 HB2 ALA 61 2HB ALA 61 15.392 0.039 5.355 439 HB3 ALA 61 3HB ALA 61 16.962 0.588 5.943 440 H ILE 62 H ILE 62 17.179 4.190 4.517 441 HA ILE 62 HA ILE 62 19.534 3.180 3.131 442 HB ILE 62 HB ILE 62 18.779 6.005 3.889 443 HG12 ILE 62 1HG1 ILE 62 18.880 4.918 1.096 444 HG13 ILE 62 2HG1 ILE 62 17.454 4.641 2.090 445 HG21 ILE 62 1HG2 ILE 62 20.612 6.205 1.888 446 HG22 ILE 62 2HG2 ILE 62 20.972 6.374 3.605 447 HG23 ILE 62 3HG2 ILE 62 21.229 4.827 2.799 448 HD11 ILE 62 1HD1 ILE 62 18.608 7.319 1.349 449 HD12 ILE 62 2HD1 ILE 62 17.154 6.579 0.678 450 HD13 ILE 62 3HD1 ILE 62 17.197 7.057 2.375 451 H GLY 63 H GLY 63 21.478 2.880 4.045 452 HA2 GLY 63 1HA GLY 63 21.894 3.922 6.775 453 HA3 GLY 63 2HA GLY 63 22.275 2.255 6.371 454 H TYR 64 H TYR 64 23.613 5.191 6.864 455 HA TYR 64 HA TYR 64 25.877 4.606 5.070 456 HB2 TYR 64 1HB TYR 64 26.354 7.079 5.179 457 HB3 TYR 64 2HB TYR 64 24.884 6.644 4.315 458 HD1 TYR 64 1HD TYR 64 22.679 6.728 5.695 459 HD2 TYR 64 2HD TYR 64 26.271 8.700 6.840 460 HE1 TYR 64 1HE TYR 64 21.381 8.247 7.130 461 HE2 TYR 64 2HE TYR 64 24.983 10.224 8.278 462 HH TYR 64 HH TYR 64 22.738 11.068 8.521 463 H GLY 65 H GLY 65 27.995 5.273 5.875 464 HA2 GLY 65 1HA GLY 65 28.723 6.218 8.305 465 HA3 GLY 65 2HA GLY 65 28.290 4.551 8.657 466 H ILE 66 H ILE 66 30.866 6.365 8.295 467 HA ILE 66 HA ILE 66 32.490 5.307 6.330 468 HB ILE 66 HB ILE 66 33.336 6.105 9.118 469 HG12 ILE 66 1HG1 ILE 66 33.624 7.868 6.726 470 HG13 ILE 66 2HG1 ILE 66 32.035 7.726 7.469 471 HG21 ILE 66 1HG2 ILE 66 35.456 5.766 8.528 472 HG22 ILE 66 2HG2 ILE 66 34.832 4.869 7.144 473 HG23 ILE 66 3HG2 ILE 66 35.230 6.579 6.979 474 HD11 ILE 66 1HD1 ILE 66 34.425 9.125 8.388 475 HD12 ILE 66 2HD1 ILE 66 32.724 9.409 8.758 476 HD13 ILE 66 3HD1 ILE 66 33.621 8.170 9.634 477 H GLY 67 H GLY 67 32.820 3.225 5.895 478 HA2 GLY 67 1HA GLY 67 33.746 1.119 6.226 479 HA3 GLY 67 2HA GLY 67 33.968 1.514 7.924 480 H SER 68 H SER 68 31.544 1.997 8.891 481 HA SER 68 HA SER 68 29.975 -0.410 8.234 482 HB2 SER 68 1HB SER 68 30.797 0.707 10.896 483 HB3 SER 68 2HB SER 68 29.310 -0.231 10.757 484 HG SER 68 HG SER 68 30.548 -1.914 10.852 485 HA PRO 69 HA PRO 69 26.814 2.635 7.480 486 HB2 PRO 69 1HB PRO 69 24.867 0.857 6.833 487 HB3 PRO 69 2HB PRO 69 26.169 1.302 5.723 488 HG2 PRO 69 1HG PRO 69 25.917 -1.111 7.476 489 HG3 PRO 69 2HG PRO 69 26.468 -1.003 5.794 490 HD2 PRO 69 1HD PRO 69 28.184 -1.207 7.878 491 HD3 PRO 69 2HD PRO 69 28.581 -0.311 6.399 492 H HIS 70 H HIS 70 27.064 0.456 10.007 493 HA HIS 70 HA HIS 70 24.428 0.757 11.109 494 HB2 HIS 70 1HB HIS 70 27.004 -0.299 12.287 495 HB3 HIS 70 2HB HIS 70 25.461 -0.308 13.136 496 HD1 HIS 70 1HD HIS 70 23.872 -2.191 12.623 497 HD2 HIS 70 2HD HIS 70 27.083 -2.036 9.991 498 HE1 HIS 70 1HE HIS 70 23.730 -4.302 11.264 499 HE2 HIS 70 2HE HIS 70 25.731 -4.227 9.737 500 H ALA 71 H ALA 71 25.281 3.262 10.541 501 HA ALA 71 HA ALA 71 25.978 4.400 13.170 502 HB1 ALA 71 1HB ALA 71 26.446 5.570 10.430 503 HB2 ALA 71 2HB ALA 71 26.837 6.354 11.961 504 HB3 ALA 71 3HB ALA 71 27.670 4.873 11.491 505 H GLN 72 H GLN 72 24.163 5.170 10.195 506 HA GLN 72 HA GLN 72 21.999 6.221 11.864 507 HB2 GLN 72 1HB GLN 72 23.390 7.704 9.638 508 HB3 GLN 72 2HB GLN 72 21.776 8.131 10.190 509 HG2 GLN 72 1HG GLN 72 23.122 9.582 11.371 510 HG3 GLN 72 2HG GLN 72 22.853 8.276 12.525 511 HE21 GLN 72 1HE2 GLN 72 25.083 8.939 9.840 512 HE22 GLN 72 2HE2 GLN 72 26.518 8.518 10.704 513 H THR 73 H THR 73 19.944 6.298 10.813 514 HA THR 73 HA THR 73 19.772 4.840 8.269 515 HB THR 73 HB THR 73 17.937 4.237 10.588 516 HG1 THR 73 1HG THR 73 20.211 3.587 10.905 517 HG21 THR 73 1HG2 THR 73 18.144 3.394 7.781 518 HG22 THR 73 2HG2 THR 73 16.756 3.382 8.870 519 HG23 THR 73 3HG2 THR 73 17.938 2.075 8.933 520 H ILE 74 H ILE 74 18.440 5.775 6.858 521 HA ILE 74 HA ILE 74 16.477 7.722 7.882 522 HB ILE 74 HB ILE 74 18.006 7.809 5.279 523 HG12 ILE 74 1HG1 ILE 74 18.050 9.780 7.566 524 HG13 ILE 74 2HG1 ILE 74 19.209 8.463 7.415 525 HG21 ILE 74 1HG2 ILE 74 15.936 9.720 6.355 526 HG22 ILE 74 2HG2 ILE 74 16.868 9.926 4.873 527 HG23 ILE 74 3HG2 ILE 74 15.710 8.604 5.008 528 HD11 ILE 74 1HD1 ILE 74 19.082 11.019 6.028 529 HD12 ILE 74 2HD1 ILE 74 20.448 9.938 6.302 530 HD13 ILE 74 3HD1 ILE 74 19.347 9.644 4.957 531 H LYS 75 H LYS 75 14.476 6.990 7.668 532 HA LYS 75 HA LYS 75 13.845 5.120 5.503 533 HB2 LYS 75 1HB LYS 75 12.320 5.870 8.002 534 HB3 LYS 75 2HB LYS 75 11.730 4.749 6.782 535 HG2 LYS 75 1HG LYS 75 14.377 4.275 8.076 536 HG3 LYS 75 2HG LYS 75 12.887 3.848 8.921 537 HD2 LYS 75 1HD LYS 75 12.281 2.660 6.683 538 HD3 LYS 75 2HD LYS 75 14.020 2.731 6.387 539 HE2 LYS 75 1HE LYS 75 12.574 1.372 8.650 540 HE3 LYS 75 2HE LYS 75 13.576 0.631 7.402 541 HZ1 LYS 75 1HZ LYS 75 15.403 1.003 8.585 542 HZ2 LYS 75 2HZ LYS 75 14.400 1.389 9.891 543 HZ3 LYS 75 3HZ LYS 75 14.994 2.616 8.890 544 H VAL 76 H VAL 76 12.930 5.869 3.718 545 HA VAL 76 HA VAL 76 11.136 8.196 3.917 546 HB VAL 76 HB VAL 76 11.945 8.987 1.734 547 HG11 VAL 76 1HG1 VAL 76 13.240 9.187 4.207 548 HG12 VAL 76 2HG1 VAL 76 14.520 8.976 3.011 549 HG13 VAL 76 3HG1 VAL 76 13.361 10.294 2.839 550 HG21 VAL 76 1HG2 VAL 76 13.466 6.478 1.866 551 HG22 VAL 76 2HG2 VAL 76 12.906 7.395 0.467 552 HG23 VAL 76 3HG2 VAL 76 14.383 7.875 1.302 553 H ASP 77 H ASP 77 9.388 8.238 2.489 554 HA ASP 77 HA ASP 77 8.088 5.890 1.938 555 HB2 ASP 77 1HB ASP 77 6.666 7.180 0.392 556 HB3 ASP 77 2HB ASP 77 6.970 8.061 1.887 557 H TYR 78 H TYR 78 7.706 4.664 0.050 558 HA TYR 78 HA TYR 78 9.937 3.904 -1.394 559 HB2 TYR 78 1HB TYR 78 8.299 2.828 -2.975 560 HB3 TYR 78 2HB TYR 78 8.052 2.434 -1.277 561 HD1 TYR 78 1HD TYR 78 6.765 4.422 -4.109 562 HD2 TYR 78 2HD TYR 78 6.039 3.037 -0.152 563 HE1 TYR 78 1HE TYR 78 4.426 5.162 -4.285 564 HE2 TYR 78 2HE TYR 78 3.698 3.773 -0.318 565 HH TYR 78 HH TYR 78 2.522 5.536 -3.143 566 H LYS 79 H LYS 79 7.369 6.165 -2.319 567 HA LYS 79 HA LYS 79 7.895 6.708 -4.913 568 HB2 LYS 79 1HB LYS 79 7.383 8.751 -2.744 569 HB3 LYS 79 2HB LYS 79 7.225 9.059 -4.468 570 HG2 LYS 79 1HG LYS 79 5.505 7.247 -4.550 571 HG3 LYS 79 2HG LYS 79 5.580 7.184 -2.787 572 HD2 LYS 79 1HD LYS 79 3.844 8.648 -3.046 573 HD3 LYS 79 2HD LYS 79 5.192 9.788 -3.035 574 HE2 LYS 79 1HE LYS 79 5.213 9.567 -5.560 575 HE3 LYS 79 2HE LYS 79 3.672 8.725 -5.405 576 HZ1 LYS 79 1HZ LYS 79 4.282 11.523 -4.637 577 HZ2 LYS 79 2HZ LYS 79 2.856 10.732 -4.191 578 HZ3 LYS 79 3HZ LYS 79 3.203 10.992 -5.826 579 H GLN 80 H GLN 80 9.683 8.073 -2.161 580 HA GLN 80 HA GLN 80 11.413 9.756 -3.461 581 HB2 GLN 80 1HB GLN 80 11.657 8.074 -1.007 582 HB3 GLN 80 2HB GLN 80 13.093 8.888 -1.614 583 HG2 GLN 80 1HG GLN 80 10.534 10.107 -0.635 584 HG3 GLN 80 2HG GLN 80 12.167 10.322 -0.004 585 HE21 GLN 80 1HE2 GLN 80 9.904 11.211 -2.477 586 HE22 GLN 80 2HE2 GLN 80 10.801 12.546 -3.107 587 H ARG 81 H ARG 81 12.826 9.490 -5.046 588 HA ARG 81 HA ARG 81 13.707 6.808 -5.756 589 HB2 ARG 81 1HB ARG 81 12.856 8.701 -7.364 590 HB3 ARG 81 2HB ARG 81 14.516 9.268 -7.256 591 HG2 ARG 81 1HG ARG 81 15.010 6.718 -7.819 592 HG3 ARG 81 2HG ARG 81 13.414 6.854 -8.561 593 HD2 ARG 81 1HD ARG 81 14.397 9.031 -9.606 594 HD3 ARG 81 2HD ARG 81 15.950 8.284 -9.234 595 HE ARG 81 HE ARG 81 14.429 6.383 -10.566 596 HH11 ARG 81 2HH1 ARG 81 15.811 9.513 -11.208 597 HH12 ARG 81 1HH1 ARG 81 16.011 9.222 -12.904 598 HH21 ARG 81 2HH2 ARG 81 14.688 5.987 -12.798 599 HH22 ARG 81 1HH2 ARG 81 15.371 7.216 -13.807 600 H TYR 82 H TYR 82 15.029 9.865 -4.627 601 HA TYR 82 HA TYR 82 17.484 8.482 -3.871 602 HB2 TYR 82 1HB TYR 82 18.913 10.225 -4.824 603 HB3 TYR 82 2HB TYR 82 17.964 9.442 -6.083 604 HD1 TYR 82 2HD TYR 82 16.130 10.641 -7.183 605 HD2 TYR 82 1HD TYR 82 18.567 12.543 -4.260 606 HE1 TYR 82 2HE TYR 82 15.298 12.833 -7.924 607 HE2 TYR 82 1HE TYR 82 17.740 14.741 -4.992 608 HH TYR 82 HH TYR 82 16.172 15.254 -7.854 609 H TYR 83 H TYR 83 18.880 9.916 -2.477 610 HA TYR 83 HA TYR 83 17.356 11.963 -1.042 611 HB2 TYR 83 1HB TYR 83 17.053 9.759 0.118 612 HB3 TYR 83 2HB TYR 83 18.792 9.716 0.383 613 HD1 TYR 83 2HD TYR 83 19.852 11.438 1.849 614 HD2 TYR 83 1HD TYR 83 15.628 11.068 1.496 615 HE1 TYR 83 2HE TYR 83 19.571 12.734 3.920 616 HE2 TYR 83 1HE TYR 83 15.335 12.365 3.566 617 HH TYR 83 HH TYR 83 16.686 14.093 4.861 618 H THR 84 H THR 84 18.594 13.550 -0.080 619 HA THR 84 HA THR 84 21.445 13.509 -0.800 620 HB THR 84 HB THR 84 19.682 15.890 -0.186 621 HG1 THR 84 1HG THR 84 19.386 16.034 -2.300 622 HG21 THR 84 1HG2 THR 84 21.850 16.851 -1.511 623 HG22 THR 84 2HG2 THR 84 22.581 15.556 -0.563 624 HG23 THR 84 3HG2 THR 84 21.682 16.841 0.244 625 H ILE 85 H ILE 85 22.625 12.823 0.877 626 HA ILE 85 HA ILE 85 21.856 13.490 3.601 627 HB ILE 85 HB ILE 85 24.256 11.910 2.679 628 HG12 ILE 85 1HG1 ILE 85 21.634 10.788 3.664 629 HG13 ILE 85 2HG1 ILE 85 21.983 11.012 1.953 630 HG21 ILE 85 1HG2 ILE 85 22.853 11.932 5.346 631 HG22 ILE 85 2HG2 ILE 85 24.335 11.073 4.929 632 HG23 ILE 85 3HG2 ILE 85 24.323 12.835 4.982 633 HD11 ILE 85 1HD1 ILE 85 22.395 8.726 2.634 634 HD12 ILE 85 2HD1 ILE 85 23.901 9.511 2.159 635 HD13 ILE 85 3HD1 ILE 85 23.528 9.279 3.866 636 H GLU 86 H GLU 86 22.434 15.411 4.369 637 HA GLU 86 HA GLU 86 25.021 16.545 3.545 638 HB2 GLU 86 1HB GLU 86 22.624 17.941 4.749 639 HB3 GLU 86 2HB GLU 86 24.115 18.718 4.233 640 HG2 GLU 86 1HG GLU 86 23.670 18.325 1.969 641 HG3 GLU 86 2HG GLU 86 22.422 17.135 2.334 642 H ASN 87 H ASN 87 25.918 18.083 5.327 643 HA ASN 87 HA ASN 87 26.803 18.370 7.409 644 HB2 ASN 87 1HB ASN 87 24.760 16.418 8.469 645 HB3 ASN 87 2HB ASN 87 25.590 17.702 9.344 646 HD21 ASN 87 1HD2 ASN 87 22.729 16.851 8.077 647 HD22 ASN 87 2HD2 ASN 87 22.054 18.410 7.764 648 H LEU 88 H LEU 88 27.976 16.565 5.695 649 HA LEU 88 HA LEU 88 28.793 14.359 7.467 650 HB2 LEU 88 1HB LEU 88 28.929 14.579 4.464 651 HB3 LEU 88 2HB LEU 88 29.578 13.237 5.404 652 HG LEU 88 HG LEU 88 26.666 13.965 5.504 653 HD11 LEU 88 1HD1 LEU 88 26.332 12.161 3.818 654 HD12 LEU 88 2HD1 LEU 88 28.070 12.185 3.521 655 HD13 LEU 88 3HD1 LEU 88 27.097 13.616 3.180 656 HD21 LEU 88 1HD2 LEU 88 26.542 12.247 6.900 657 HD22 LEU 88 2HD2 LEU 88 28.299 12.099 6.840 658 HD23 LEU 88 3HD2 LEU 88 27.297 11.185 5.711 659 H ASP 89 H ASP 89 31.122 13.602 6.879 660 HA ASP 89 HA ASP 89 32.828 15.974 7.072 661 HB2 ASP 89 1HB ASP 89 32.891 14.117 8.813 662 HB3 ASP 89 2HB ASP 89 33.648 13.115 7.578 663 HA PRO 90 HA PRO 90 34.058 15.266 2.851 664 HB2 PRO 90 1HB PRO 90 35.867 17.287 2.747 665 HB3 PRO 90 2HB PRO 90 34.122 17.553 2.649 666 HG2 PRO 90 1HG PRO 90 35.953 17.840 5.000 667 HG3 PRO 90 2HG PRO 90 34.637 18.904 4.471 668 HD2 PRO 90 1HD PRO 90 34.349 17.125 6.492 669 HD3 PRO 90 2HD PRO 90 33.011 17.570 5.413 670 H SER 91 H SER 91 35.873 14.470 1.751 671 HA SER 91 HA SER 91 37.829 13.340 1.474 672 HB2 SER 91 1HB SER 91 38.764 15.476 2.493 673 HB3 SER 91 2HB SER 91 38.800 14.618 4.033 674 HG SER 91 HG SER 91 39.985 13.448 1.774 675 H SER 92 H SER 92 35.823 11.900 2.550 676 HA SER 92 HA SER 92 37.258 9.914 4.073 677 HB2 SER 92 1HB SER 92 35.047 11.543 5.278 678 HB3 SER 92 2HB SER 92 35.251 9.858 5.757 679 HG SER 92 HG SER 92 36.933 12.054 6.181 680 H HIS 93 H HIS 93 36.472 7.884 3.749 681 HA HIS 93 HA HIS 93 34.470 7.579 1.695 682 HB2 HIS 93 1HB HIS 93 36.260 6.099 1.420 683 HB3 HIS 93 2HB HIS 93 36.322 5.704 3.135 684 HD1 HIS 93 1HD HIS 93 35.844 3.275 3.243 685 HD2 HIS 93 2HD HIS 93 33.248 5.257 0.676 686 HE1 HIS 93 1HE HIS 93 34.173 1.545 2.509 687 HE2 HIS 93 2HE HIS 93 32.664 2.747 0.890 688 H TYR 94 H TYR 94 32.404 6.967 1.937 689 HA TYR 94 HA TYR 94 31.526 6.096 4.611 690 HB2 TYR 94 1HB TYR 94 30.302 8.139 2.774 691 HB3 TYR 94 2HB TYR 94 29.332 7.306 3.983 692 HD1 TYR 94 2HD TYR 94 32.364 9.424 3.585 693 HD2 TYR 94 1HD TYR 94 29.288 8.069 6.195 694 HE1 TYR 94 2HE TYR 94 33.094 11.049 5.280 695 HE2 TYR 94 1HE TYR 94 30.009 9.692 7.896 696 HH TYR 94 HH TYR 94 31.231 11.792 8.037 697 H VAL 95 H VAL 95 30.577 4.176 4.604 698 HA VAL 95 HA VAL 95 29.862 2.910 2.104 699 HB VAL 95 HB VAL 95 29.631 1.848 4.924 700 HG11 VAL 95 1HG1 VAL 95 29.705 0.283 2.356 701 HG12 VAL 95 2HG1 VAL 95 29.321 -0.299 3.977 702 HG13 VAL 95 3HG1 VAL 95 28.203 0.777 3.137 703 HG21 VAL 95 1HG2 VAL 95 31.768 1.077 4.808 704 HG22 VAL 95 2HG2 VAL 95 31.735 0.917 3.052 705 HG23 VAL 95 3HG2 VAL 95 31.948 2.505 3.790 706 H ILE 96 H ILE 96 27.956 3.365 1.217 707 HA ILE 96 HA ILE 96 25.651 3.904 2.943 708 HB ILE 96 HB ILE 96 26.081 4.362 -0.008 709 HG12 ILE 96 1HG1 ILE 96 25.458 6.763 0.960 710 HG13 ILE 96 2HG1 ILE 96 26.094 6.061 2.443 711 HG21 ILE 96 1HG2 ILE 96 23.761 5.669 0.674 712 HG22 ILE 96 2HG2 ILE 96 23.869 4.152 -0.218 713 HG23 ILE 96 3HG2 ILE 96 23.619 4.132 1.528 714 HD11 ILE 96 1HD1 ILE 96 28.091 5.398 0.861 715 HD12 ILE 96 2HD1 ILE 96 27.487 6.766 -0.075 716 HD13 ILE 96 3HD1 ILE 96 27.985 6.994 1.602 717 H THR 97 H THR 97 23.795 2.702 2.896 718 HA THR 97 HA THR 97 23.741 0.347 1.137 719 HB THR 97 HB THR 97 22.771 -0.965 3.056 720 HG1 THR 97 1HG THR 97 23.396 1.437 4.349 721 HG21 THR 97 1HG2 THR 97 25.290 -0.809 2.257 722 HG22 THR 97 2HG2 THR 97 24.832 -1.752 3.676 723 HG23 THR 97 3HG2 THR 97 25.512 -0.137 3.872 724 H LEU 98 H LEU 98 21.660 -0.465 0.651 725 HA LEU 98 HA LEU 98 19.364 1.102 1.551 726 HB2 LEU 98 1HB LEU 98 19.956 2.263 -0.428 727 HB3 LEU 98 2HB LEU 98 20.224 0.761 -1.310 728 HG LEU 98 HG LEU 98 17.637 0.443 -0.799 729 HD11 LEU 98 1HD1 LEU 98 18.120 3.090 0.081 730 HD12 LEU 98 2HD1 LEU 98 16.585 2.230 -0.023 731 HD13 LEU 98 3HD1 LEU 98 17.158 3.179 -1.395 732 HD21 LEU 98 1HD2 LEU 98 19.078 1.858 -2.984 733 HD22 LEU 98 2HD2 LEU 98 17.315 1.852 -3.001 734 HD23 LEU 98 3HD2 LEU 98 18.203 0.327 -3.013 735 H LYS 99 H LYS 99 17.527 -0.067 1.752 736 HA LYS 99 HA LYS 99 17.253 -2.629 0.412 737 HB2 LYS 99 1HB LYS 99 17.068 -3.962 2.354 738 HB3 LYS 99 2HB LYS 99 18.524 -3.002 2.585 739 HG2 LYS 99 1HG LYS 99 17.421 -1.550 4.112 740 HG3 LYS 99 2HG LYS 99 15.848 -2.259 3.738 741 HD2 LYS 99 1HD LYS 99 16.300 -3.385 5.667 742 HD3 LYS 99 2HD LYS 99 17.089 -4.473 4.522 743 HE2 LYS 99 1HE LYS 99 18.672 -4.172 6.215 744 HE3 LYS 99 2HE LYS 99 19.195 -3.079 4.934 745 HZ1 LYS 99 1HZ LYS 99 17.958 -2.438 7.526 746 HZ2 LYS 99 2HZ LYS 99 17.781 -1.367 6.229 747 HZ3 LYS 99 3HZ LYS 99 19.325 -1.760 6.797 748 H ALA 100 H ALA 100 15.170 -3.116 -0.015 749 HA ALA 100 HA ALA 100 13.161 -1.159 0.665 750 HB1 ALA 100 1HB ALA 100 12.128 -1.859 -1.183 751 HB2 ALA 100 2HB ALA 100 13.577 -2.817 -1.495 752 HB3 ALA 100 3HB ALA 100 12.195 -3.549 -0.679 753 H PHE 101 H PHE 101 11.251 -1.536 1.807 754 HA PHE 101 HA PHE 101 10.996 -4.065 3.248 755 HB2 PHE 101 1HB PHE 101 10.829 -3.036 5.403 756 HB3 PHE 101 2HB PHE 101 12.318 -2.457 4.664 757 HD1 PHE 101 1HD PHE 101 8.796 -1.546 5.350 758 HD2 PHE 101 2HD PHE 101 12.701 -0.169 4.364 759 HE1 PHE 101 1HE PHE 101 8.067 0.775 5.717 760 HE2 PHE 101 2HE PHE 101 11.978 2.154 4.730 761 HZ PHE 101 HZ PHE 101 9.659 2.629 5.408 762 H ASN 102 H ASN 102 8.895 -4.476 4.060 763 HA ASN 102 HA ASN 102 6.786 -2.576 3.413 764 HB2 ASN 102 1HB ASN 102 5.506 -4.174 2.097 765 HB3 ASN 102 2HB ASN 102 7.085 -3.926 1.358 766 HD21 ASN 102 1HD2 ASN 102 5.582 -6.113 0.731 767 HD22 ASN 102 2HD2 ASN 102 6.323 -7.536 1.372 768 H ASN 103 H ASN 103 4.566 -3.901 3.901 769 HA ASN 103 HA ASN 103 4.319 -4.104 6.609 770 HB2 ASN 103 1HB ASN 103 2.205 -5.126 6.269 771 HB3 ASN 103 2HB ASN 103 2.472 -4.110 4.855 772 HD21 ASN 103 1HD2 ASN 103 1.255 -6.939 5.734 773 HD22 ASN 103 2HD2 ASN 103 1.573 -7.885 4.324 774 H VAL 104 H VAL 104 5.243 -6.653 4.358 775 HA VAL 104 HA VAL 104 5.228 -8.751 6.288 776 HB VAL 104 HB VAL 104 6.671 -8.599 3.637 777 HG11 VAL 104 1HG1 VAL 104 6.252 -11.211 4.003 778 HG12 VAL 104 2HG1 VAL 104 7.717 -10.394 4.550 779 HG13 VAL 104 3HG1 VAL 104 6.409 -10.716 5.689 780 HG21 VAL 104 1HG2 VAL 104 4.767 -9.952 2.817 781 HG22 VAL 104 2HG2 VAL 104 3.971 -9.726 4.375 782 HG23 VAL 104 3HG2 VAL 104 4.290 -8.336 3.338 783 H GLY 105 H GLY 105 7.818 -6.791 4.829 784 HA2 GLY 105 1HA GLY 105 9.374 -6.344 6.993 785 HA3 GLY 105 2HA GLY 105 9.823 -7.981 6.539 786 H GLU 106 H GLU 106 11.967 -7.065 6.223 787 HA GLU 106 HA GLU 106 12.207 -5.593 3.683 788 HB2 GLU 106 1HB GLU 106 14.551 -5.062 4.582 789 HB3 GLU 106 2HB GLU 106 13.187 -4.239 5.326 790 HG2 GLU 106 1HG GLU 106 14.653 -4.917 7.060 791 HG3 GLU 106 2HG GLU 106 13.230 -5.955 7.132 792 H GLY 107 H GLY 107 14.111 -6.121 2.358 793 HA2 GLY 107 1HA GLY 107 14.598 -9.023 2.419 794 HA3 GLY 107 2HA GLY 107 14.717 -8.000 0.995 795 H ILE 108 H ILE 108 16.773 -8.263 0.352 796 HA ILE 108 HA ILE 108 18.916 -8.101 2.342 797 HB ILE 108 HB ILE 108 19.466 -8.620 -0.543 798 HG12 ILE 108 1HG1 ILE 108 17.462 -10.016 0.201 799 HG13 ILE 108 2HG1 ILE 108 18.843 -10.902 -0.434 800 HG21 ILE 108 1HG2 ILE 108 20.614 -9.929 1.908 801 HG22 ILE 108 2HG2 ILE 108 21.295 -9.865 0.284 802 HG23 ILE 108 3HG2 ILE 108 21.220 -8.402 1.266 803 HD11 ILE 108 1HD1 ILE 108 19.483 -11.636 1.700 804 HD12 ILE 108 2HD1 ILE 108 18.428 -10.473 2.504 805 HD13 ILE 108 3HD1 ILE 108 17.732 -11.839 1.631 806 HA PRO 109 HA PRO 109 19.631 -3.875 1.183 807 HB2 PRO 109 1HB PRO 109 21.919 -3.551 2.608 808 HB3 PRO 109 2HB PRO 109 20.316 -3.565 3.354 809 HG2 PRO 109 1HG PRO 109 22.338 -5.765 3.167 810 HG3 PRO 109 2HG PRO 109 21.334 -5.282 4.547 811 HD2 PRO 109 1HD PRO 109 20.724 -7.397 2.970 812 HD3 PRO 109 2HD PRO 109 19.481 -6.397 3.749 813 H LEU 110 H LEU 110 21.804 -2.625 0.602 814 HA LEU 110 HA LEU 110 23.399 -4.300 -1.214 815 HB2 LEU 110 1HB LEU 110 22.107 -1.650 -1.823 816 HB3 LEU 110 2HB LEU 110 23.375 -2.365 -2.816 817 HG LEU 110 HG LEU 110 20.637 -3.537 -2.324 818 HD11 LEU 110 1HD1 LEU 110 21.841 -2.240 -4.765 819 HD12 LEU 110 2HD1 LEU 110 20.551 -1.582 -3.758 820 HD13 LEU 110 3HD1 LEU 110 20.274 -3.048 -4.699 821 HD21 LEU 110 1HD2 LEU 110 21.686 -5.457 -2.811 822 HD22 LEU 110 2HD2 LEU 110 23.119 -4.635 -3.429 823 HD23 LEU 110 3HD2 LEU 110 21.704 -4.840 -4.463 824 H TYR 111 H TYR 111 25.520 -3.577 -1.619 825 HA TYR 111 HA TYR 111 26.515 -1.668 0.388 826 HB2 TYR 111 1HB TYR 111 27.682 -4.137 -0.836 827 HB3 TYR 111 2HB TYR 111 28.762 -2.876 -0.253 828 HD1 TYR 111 2HD TYR 111 25.611 -4.439 1.030 829 HD2 TYR 111 1HD TYR 111 29.662 -3.389 1.801 830 HE1 TYR 111 2HE TYR 111 25.400 -5.322 3.316 831 HE2 TYR 111 1HE TYR 111 29.462 -4.270 4.088 832 HH TYR 111 HH TYR 111 27.996 -5.989 5.277 833 H GLU 112 H GLU 112 27.613 0.107 -0.225 834 HA GLU 112 HA GLU 112 28.545 0.330 -2.991 835 HB2 GLU 112 1HB GLU 112 26.430 1.974 -1.696 836 HB3 GLU 112 2HB GLU 112 27.577 2.805 -2.737 837 HG2 GLU 112 1HG GLU 112 25.685 0.594 -3.468 838 HG3 GLU 112 2HG GLU 112 25.717 2.248 -4.075 839 H SER 113 H SER 113 29.640 2.645 -3.193 840 HA SER 113 HA SER 113 31.103 3.296 -0.745 841 HB2 SER 113 1HB SER 113 33.263 3.232 -1.952 842 HB3 SER 113 2HB SER 113 32.503 1.643 -1.876 843 HG SER 113 HG SER 113 33.033 3.248 -4.052 844 H ALA 114 H ALA 114 31.628 5.415 -0.554 845 HA ALA 114 HA ALA 114 31.551 7.162 -2.877 846 HB1 ALA 114 1HB ALA 114 29.224 6.846 -1.527 847 HB2 ALA 114 2HB ALA 114 29.931 8.212 -0.664 848 HB3 ALA 114 3HB ALA 114 29.676 8.307 -2.406 849 H VAL 115 H VAL 115 33.284 8.411 -2.732 850 HA VAL 115 HA VAL 115 34.371 9.035 -0.073 851 HB VAL 115 HB VAL 115 35.713 9.173 -2.777 852 HG11 VAL 115 1HG1 VAL 115 36.415 10.796 -0.877 853 HG12 VAL 115 2HG1 VAL 115 37.132 9.356 -0.150 854 HG13 VAL 115 3HG1 VAL 115 37.656 9.893 -1.746 855 HG21 VAL 115 1HG2 VAL 115 37.110 7.348 -1.381 856 HG22 VAL 115 2HG2 VAL 115 35.503 7.082 -0.704 857 HG23 VAL 115 3HG2 VAL 115 35.763 6.938 -2.443 858 H THR 116 H THR 116 33.482 10.893 0.619 859 HA THR 116 HA THR 116 32.487 12.987 -0.877 860 HB THR 116 HB THR 116 32.992 14.423 1.174 861 HG1 THR 116 1HG THR 116 33.496 12.882 3.021 862 HG21 THR 116 1HG2 THR 116 30.915 12.940 0.689 863 HG22 THR 116 2HG2 THR 116 31.160 13.565 2.319 864 HG23 THR 116 3HG2 THR 116 31.580 11.894 1.943 865 H ARG 117 H ARG 117 33.295 14.835 -1.769 866 HA ARG 117 HA ARG 117 35.994 14.849 -2.605 867 HB2 ARG 117 1HB ARG 117 33.700 16.755 -2.820 868 HB3 ARG 117 2HB ARG 117 35.316 17.322 -3.221 869 HG2 ARG 117 1HG ARG 117 34.440 16.640 -5.260 870 HG3 ARG 117 2HG ARG 117 35.443 15.277 -4.759 871 HD2 ARG 117 1HD ARG 117 33.517 14.060 -4.010 872 HD3 ARG 117 2HD ARG 117 32.475 15.457 -4.274 873 HE ARG 117 HE ARG 117 32.364 14.907 -6.491 874 HH11 ARG 117 2HH1 ARG 117 35.030 13.210 -5.032 875 HH12 ARG 117 1HH1 ARG 117 35.350 12.242 -6.432 876 HH21 ARG 117 2HH2 ARG 117 32.776 13.638 -8.342 877 HH22 ARG 117 1HH2 ARG 117 34.068 12.487 -8.315 878 HA PRO 118 HA PRO 118 38.110 16.957 0.611 879 HB2 PRO 118 1HB PRO 118 39.930 18.397 -0.798 880 HB3 PRO 118 2HB PRO 118 40.033 16.643 -0.607 881 HG2 PRO 118 1HG PRO 118 38.988 18.239 -2.914 882 HG3 PRO 118 2HG PRO 118 40.022 16.798 -2.927 883 HD2 PRO 118 1HD PRO 118 37.360 16.685 -3.409 884 HD3 PRO 118 2HD PRO 118 38.244 15.365 -2.617 885 H HIS 119 H HIS 119 37.515 18.637 1.818 886 HA HIS 119 HA HIS 119 36.487 21.043 0.480 887 HB2 HIS 119 1HB HIS 119 34.892 19.945 1.973 888 HB3 HIS 119 2HB HIS 119 36.044 20.044 3.302 889 HD1 HIS 119 1HD HIS 119 35.066 22.811 0.895 890 HD2 HIS 119 2HD HIS 119 34.835 21.855 4.932 891 HE1 HIS 119 1HE HIS 119 34.141 24.861 2.020 892 HE2 HIS 119 2HE HIS 119 34.090 24.289 4.472 893 H THR 120 H THR 120 38.201 22.362 0.179 894 HA THR 120 HA THR 120 40.475 22.607 1.724 895 HB THR 120 HB THR 120 40.734 24.880 0.757 896 HG1 THR 120 1HG THR 120 38.744 25.732 0.563 897 HG21 THR 120 1HG2 THR 120 41.128 22.626 -0.489 898 HG22 THR 120 2HG2 THR 120 41.153 24.137 -1.399 899 HG23 THR 120 3HG2 THR 120 39.720 23.110 -1.433 900 H SER 121 H SER 121 40.100 22.625 3.923 901 HA SER 121 HA SER 121 38.264 24.390 5.188 902 HB2 SER 121 1HB SER 121 39.318 23.656 7.282 903 HB3 SER 121 2HB SER 121 38.987 22.279 6.231 904 HG SER 121 HG SER 121 41.482 23.495 6.002 905 H GLY 122 H GLY 122 39.240 25.792 7.101 906 HA2 GLY 122 1HA GLY 122 40.510 27.605 7.754 907 HA3 GLY 122 2HA GLY 122 41.691 27.158 6.531 908 HA PRO 123 HA PRO 123 39.185 31.009 5.337 909 HB2 PRO 123 1HB PRO 123 41.157 32.845 5.664 910 HB3 PRO 123 2HB PRO 123 40.030 32.407 6.953 911 HG2 PRO 123 1HG PRO 123 42.833 31.465 6.486 912 HG3 PRO 123 2HG PRO 123 42.051 31.940 8.005 913 HD2 PRO 123 1HD PRO 123 42.387 29.351 7.286 914 HD3 PRO 123 2HD PRO 123 40.999 29.903 8.245 915 H SER 124 H SER 124 39.271 30.076 3.248 916 HA SER 124 HA SER 124 41.708 30.197 1.708 917 HB2 SER 124 1HB SER 124 39.673 28.508 1.547 918 HB3 SER 124 2HB SER 124 39.048 29.722 0.431 919 HG SER 124 HG SER 124 40.905 29.475 -0.816 920 H SER 125 H SER 125 42.241 31.635 0.134 921 HA SER 125 HA SER 125 40.448 33.484 -1.037 922 HB2 SER 125 1HB SER 125 41.330 35.560 -0.008 923 HB3 SER 125 2HB SER 125 40.489 34.542 1.161 924 HG SER 125 HG SER 125 42.638 35.460 1.756 925 H GLY 126 H GLY 126 41.695 35.242 -2.254 926 HA2 GLY 126 1HA GLY 126 44.469 34.555 -2.820 927 HA3 GLY 126 2HA GLY 126 43.330 34.314 -4.137 Start of MODEL 16 1 H1 GLY 1 H GLY 1 11.527 41.292 -10.120 2 HA2 GLY 1 1HA GLY 1 9.525 43.168 -10.938 3 HA3 GLY 1 2HA GLY 1 9.975 42.081 -12.244 4 H SER 2 H SER 2 7.415 42.032 -11.457 5 HA SER 2 HA SER 2 7.021 39.334 -10.714 6 HB2 SER 2 1HB SER 2 5.851 39.689 -8.564 7 HB3 SER 2 2HB SER 2 7.553 40.140 -8.466 8 HG SER 2 HG SER 2 5.281 41.809 -8.587 9 H SER 3 H SER 3 4.575 38.973 -10.191 10 HA SER 3 HA SER 3 2.714 40.905 -11.138 11 HB2 SER 3 1HB SER 3 2.084 39.933 -13.238 12 HB3 SER 3 2HB SER 3 3.831 40.174 -13.282 13 HG SER 3 HG SER 3 2.988 38.061 -14.008 14 H GLY 4 H GLY 4 0.508 39.791 -11.560 15 HA2 GLY 4 1HA GLY 4 0.178 37.774 -9.442 16 HA3 GLY 4 2HA GLY 4 -1.073 38.871 -10.006 17 H SER 5 H SER 5 -0.268 35.747 -9.962 18 HA SER 5 HA SER 5 -2.122 35.011 -11.968 19 HB2 SER 5 1HB SER 5 -0.158 35.652 -13.400 20 HB3 SER 5 2HB SER 5 0.756 34.353 -12.633 21 HG SER 5 HG SER 5 -0.172 33.630 -14.565 22 H SER 6 H SER 6 -2.275 32.636 -12.215 23 HA SER 6 HA SER 6 -0.817 30.873 -10.551 24 HB2 SER 6 1HB SER 6 -2.210 32.200 -8.864 25 HB3 SER 6 2HB SER 6 -3.617 31.389 -9.550 26 HG SER 6 HG SER 6 -1.470 29.778 -8.832 27 H GLY 7 H GLY 7 -1.774 28.673 -10.520 28 HA2 GLY 7 1HA GLY 7 -3.837 28.235 -12.557 29 HA3 GLY 7 2HA GLY 7 -2.264 27.490 -12.802 30 HA PRO 8 HA PRO 8 -4.986 25.320 -9.389 31 HB2 PRO 8 1HB PRO 8 -7.238 24.449 -10.631 32 HB3 PRO 8 2HB PRO 8 -7.151 25.989 -9.768 33 HG2 PRO 8 1HG PRO 8 -6.944 25.449 -12.705 34 HG3 PRO 8 2HG PRO 8 -7.827 26.736 -11.864 35 HD2 PRO 8 1HD PRO 8 -5.420 27.146 -13.033 36 HD3 PRO 8 2HD PRO 8 -5.934 28.020 -11.576 37 H ALA 9 H ALA 9 -5.981 22.952 -9.635 38 HA ALA 9 HA ALA 9 -4.125 21.508 -11.397 39 HB1 ALA 9 1HB ALA 9 -4.496 21.234 -8.722 40 HB2 ALA 9 2HB ALA 9 -5.559 19.973 -9.349 41 HB3 ALA 9 3HB ALA 9 -3.848 19.978 -9.778 42 H THR 10 H THR 10 -4.921 19.410 -12.267 43 HA THR 10 HA THR 10 -7.794 19.493 -12.902 44 HB THR 10 HB THR 10 -7.244 18.684 -15.196 45 HG1 THR 10 1HG THR 10 -4.894 19.366 -15.702 46 HG21 THR 10 1HG2 THR 10 -6.948 20.812 -16.073 47 HG22 THR 10 2HG2 THR 10 -5.833 21.294 -14.794 48 HG23 THR 10 3HG2 THR 10 -7.558 21.161 -14.456 49 H ASP 11 H ASP 11 -8.801 17.665 -12.411 50 HA ASP 11 HA ASP 11 -7.521 15.100 -12.810 51 HB2 ASP 11 1HB ASP 11 -8.238 16.136 -10.074 52 HB3 ASP 11 2HB ASP 11 -8.160 14.411 -10.419 53 H TRP 12 H TRP 12 -9.059 13.285 -12.298 54 HA TRP 12 HA TRP 12 -11.805 14.137 -12.935 55 HB2 TRP 12 1HB TRP 12 -10.615 11.417 -13.480 56 HB3 TRP 12 2HB TRP 12 -12.110 12.091 -14.124 57 HD1 TRP 12 HD TRP 12 -11.624 14.431 -15.721 58 HE1 TRP 12 1HE TRP 12 -9.830 14.686 -17.548 59 HE3 TRP 12 3HE TRP 12 -8.457 10.689 -14.273 60 HZ2 TRP 12 2HZ TRP 12 -7.394 13.461 -18.279 61 HZ3 TRP 12 3HZ TRP 12 -6.416 10.295 -15.591 62 HH2 TRP 12 HH TRP 12 -5.898 11.653 -17.552 63 H LEU 13 H LEU 13 -11.000 14.158 -10.278 64 HA LEU 13 HA LEU 13 -11.419 13.296 -8.201 65 HB2 LEU 13 1HB LEU 13 -13.935 12.329 -9.545 66 HB3 LEU 13 2HB LEU 13 -13.713 12.683 -7.833 67 HG LEU 13 HG LEU 13 -13.165 15.098 -8.792 68 HD11 LEU 13 1HD1 LEU 13 -13.692 15.448 -10.914 69 HD12 LEU 13 2HD1 LEU 13 -15.322 14.834 -10.643 70 HD13 LEU 13 3HD1 LEU 13 -14.027 13.726 -11.097 71 HD21 LEU 13 1HD2 LEU 13 -15.210 15.737 -7.983 72 HD22 LEU 13 2HD2 LEU 13 -15.081 14.126 -7.277 73 HD23 LEU 13 3HD2 LEU 13 -16.054 14.378 -8.727 74 H SER 14 H SER 14 -9.798 11.586 -9.682 75 HA SER 14 HA SER 14 -10.243 9.119 -8.294 76 HB2 SER 14 1HB SER 14 -11.700 8.946 -10.376 77 HB3 SER 14 2HB SER 14 -10.203 8.940 -11.308 78 HG SER 14 HG SER 14 -10.714 6.828 -10.922 79 H ALA 15 H ALA 15 -8.394 7.869 -8.146 80 HA ALA 15 HA ALA 15 -6.130 8.127 -9.804 81 HB1 ALA 15 1HB ALA 15 -6.395 10.275 -8.064 82 HB2 ALA 15 2HB ALA 15 -5.194 9.231 -7.302 83 HB3 ALA 15 3HB ALA 15 -4.945 9.804 -8.951 84 H GLU 16 H GLU 16 -5.239 6.186 -9.644 85 HA GLU 16 HA GLU 16 -4.513 5.065 -7.102 86 HB2 GLU 16 1HB GLU 16 -6.822 4.350 -7.131 87 HB3 GLU 16 2HB GLU 16 -6.651 3.731 -8.767 88 HG2 GLU 16 1HG GLU 16 -5.194 1.987 -8.027 89 HG3 GLU 16 2HG GLU 16 -5.130 2.667 -6.402 90 H THR 17 H THR 17 -2.578 4.209 -7.415 91 HA THR 17 HA THR 17 -1.970 3.021 -10.044 92 HB THR 17 HB THR 17 0.419 3.608 -9.587 93 HG1 THR 17 1HG THR 17 0.924 4.853 -7.863 94 HG21 THR 17 1HG2 THR 17 -1.752 5.408 -10.264 95 HG22 THR 17 2HG2 THR 17 -0.156 5.245 -10.996 96 HG23 THR 17 3HG2 THR 17 -0.375 6.271 -9.579 97 H PHE 18 H PHE 18 -3.127 1.553 -7.918 98 HA PHE 18 HA PHE 18 -1.167 -0.542 -7.678 99 HB2 PHE 18 1HB PHE 18 -1.140 -0.681 -5.269 100 HB3 PHE 18 2HB PHE 18 -0.642 0.941 -5.740 101 HD1 PHE 18 1HD PHE 18 -2.358 2.799 -5.627 102 HD2 PHE 18 2HD PHE 18 -2.941 -1.013 -3.825 103 HE1 PHE 18 1HE PHE 18 -4.099 3.756 -4.176 104 HE2 PHE 18 2HE PHE 18 -4.684 -0.062 -2.372 105 HZ PHE 18 HZ PHE 18 -5.265 2.324 -2.546 106 H GLU 19 H GLU 19 -2.217 -2.372 -8.045 107 HA GLU 19 HA GLU 19 -5.107 -2.466 -7.575 108 HB2 GLU 19 1HB GLU 19 -4.150 -3.013 -9.841 109 HB3 GLU 19 2HB GLU 19 -3.417 -4.436 -9.115 110 HG2 GLU 19 1HG GLU 19 -5.380 -5.208 -10.112 111 HG3 GLU 19 2HG GLU 19 -5.759 -5.093 -8.395 112 H SER 20 H SER 20 -6.070 -4.374 -6.647 113 HA SER 20 HA SER 20 -4.832 -5.181 -4.252 114 HB2 SER 20 1HB SER 20 -6.742 -6.660 -3.960 115 HB3 SER 20 2HB SER 20 -7.292 -5.113 -4.603 116 HG SER 20 HG SER 20 -7.660 -6.029 -6.539 117 H ASP 21 H ASP 21 -5.170 -6.763 -7.388 118 HA ASP 21 HA ASP 21 -4.423 -9.317 -6.943 119 HB2 ASP 21 1HB ASP 21 -3.256 -7.583 -9.131 120 HB3 ASP 21 2HB ASP 21 -3.377 -9.341 -9.148 121 H LEU 22 H LEU 22 -2.243 -6.531 -7.000 122 HA LEU 22 HA LEU 22 0.229 -7.534 -6.962 123 HB2 LEU 22 1HB LEU 22 -0.837 -5.568 -4.941 124 HB3 LEU 22 2HB LEU 22 0.869 -5.826 -5.304 125 HG LEU 22 HG LEU 22 -1.156 -4.828 -7.304 126 HD11 LEU 22 1HD1 LEU 22 -1.006 -2.823 -6.376 127 HD12 LEU 22 2HD1 LEU 22 0.740 -2.847 -6.626 128 HD13 LEU 22 3HD1 LEU 22 0.057 -3.460 -5.120 129 HD21 LEU 22 1HD2 LEU 22 1.850 -5.037 -7.335 130 HD22 LEU 22 2HD2 LEU 22 0.904 -4.142 -8.525 131 HD23 LEU 22 3HD2 LEU 22 0.706 -5.889 -8.372 132 H ASP 23 H ASP 23 1.637 -8.587 -5.587 133 HA ASP 23 HA ASP 23 0.369 -10.239 -3.557 134 HB2 ASP 23 1HB ASP 23 2.941 -10.328 -5.069 135 HB3 ASP 23 2HB ASP 23 2.863 -11.145 -3.511 136 H GLU 24 H GLU 24 0.284 -9.568 -1.525 137 HA GLU 24 HA GLU 24 2.493 -7.907 -0.501 138 HB2 GLU 24 1HB GLU 24 0.170 -6.846 -0.715 139 HB3 GLU 24 2HB GLU 24 -0.307 -7.902 0.607 140 HG2 GLU 24 1HG GLU 24 1.546 -6.905 1.957 141 HG3 GLU 24 2HG GLU 24 1.781 -5.740 0.656 142 H THR 25 H THR 25 2.269 -10.833 -0.529 143 HA THR 25 HA THR 25 1.998 -11.414 2.338 144 HB THR 25 HB THR 25 1.969 -13.794 1.689 145 HG1 THR 25 1HG THR 25 2.175 -12.707 -0.936 146 HG21 THR 25 1HG2 THR 25 -0.232 -13.812 0.650 147 HG22 THR 25 2HG2 THR 25 -0.025 -12.136 0.139 148 HG23 THR 25 3HG2 THR 25 -0.140 -12.528 1.854 149 H ARG 26 H ARG 26 4.314 -10.781 -0.002 150 HA ARG 26 HA ARG 26 6.396 -12.077 1.630 151 HB2 ARG 26 1HB ARG 26 7.726 -12.396 -0.397 152 HB3 ARG 26 2HB ARG 26 6.176 -13.216 -0.529 153 HG2 ARG 26 1HG ARG 26 5.373 -11.151 -1.783 154 HG3 ARG 26 2HG ARG 26 7.076 -10.698 -1.885 155 HD2 ARG 26 1HD ARG 26 6.049 -13.377 -2.787 156 HD3 ARG 26 2HD ARG 26 6.116 -11.976 -3.856 157 HE ARG 26 HE ARG 26 8.629 -12.095 -2.927 158 HH11 ARG 26 2HH1 ARG 26 6.526 -14.518 -4.275 159 HH12 ARG 26 1HH1 ARG 26 7.819 -15.452 -4.951 160 HH21 ARG 26 2HH2 ARG 26 10.341 -13.315 -3.812 161 HH22 ARG 26 1HH2 ARG 26 9.989 -14.767 -4.686 162 H VAL 27 H VAL 27 8.601 -11.023 1.210 163 HA VAL 27 HA VAL 27 8.235 -8.123 1.419 164 HB VAL 27 HB VAL 27 10.406 -8.047 2.483 165 HG11 VAL 27 1HG1 VAL 27 9.370 -10.371 3.933 166 HG12 VAL 27 2HG1 VAL 27 9.609 -8.708 4.474 167 HG13 VAL 27 3HG1 VAL 27 8.157 -9.143 3.571 168 HG21 VAL 27 1HG2 VAL 27 11.259 -10.569 2.992 169 HG22 VAL 27 2HG2 VAL 27 10.634 -10.751 1.354 170 HG23 VAL 27 3HG2 VAL 27 11.881 -9.552 1.693 171 HA PRO 28 HA PRO 28 10.119 -7.354 -2.481 172 HB2 PRO 28 1HB PRO 28 11.081 -4.855 -2.029 173 HB3 PRO 28 2HB PRO 28 9.362 -5.196 -2.258 174 HG2 PRO 28 1HG PRO 28 10.890 -4.784 0.283 175 HG3 PRO 28 2HG PRO 28 9.296 -4.158 -0.178 176 HD2 PRO 28 1HD PRO 28 9.604 -6.302 1.446 177 HD3 PRO 28 2HD PRO 28 8.231 -6.137 0.333 178 H GLU 29 H GLU 29 11.847 -8.732 -2.705 179 HA GLU 29 HA GLU 29 14.186 -8.752 -1.194 180 HB2 GLU 29 1HB GLU 29 15.202 -9.915 -3.167 181 HB3 GLU 29 2HB GLU 29 13.685 -10.611 -2.613 182 HG2 GLU 29 1HG GLU 29 13.355 -10.608 -4.870 183 HG3 GLU 29 2HG GLU 29 12.648 -9.053 -4.436 184 H VAL 30 H VAL 30 16.413 -8.271 -2.128 185 HA VAL 30 HA VAL 30 17.037 -5.684 -2.192 186 HB VAL 30 HB VAL 30 18.782 -7.332 -2.317 187 HG11 VAL 30 1HG1 VAL 30 19.229 -8.710 -4.169 188 HG12 VAL 30 2HG1 VAL 30 17.481 -8.792 -3.948 189 HG13 VAL 30 3HG1 VAL 30 18.163 -7.781 -5.223 190 HG21 VAL 30 1HG2 VAL 30 20.130 -6.338 -4.293 191 HG22 VAL 30 2HG2 VAL 30 18.742 -5.268 -4.486 192 HG23 VAL 30 3HG2 VAL 30 19.643 -5.278 -2.970 193 HA PRO 31 HA PRO 31 15.117 -3.785 -5.680 194 HB2 PRO 31 1HB PRO 31 16.606 -1.516 -5.756 195 HB3 PRO 31 2HB PRO 31 15.360 -1.808 -4.536 196 HG2 PRO 31 1HG PRO 31 18.328 -2.140 -4.329 197 HG3 PRO 31 2HG PRO 31 17.196 -1.437 -3.159 198 HD2 PRO 31 1HD PRO 31 18.149 -3.961 -2.928 199 HD3 PRO 31 2HD PRO 31 16.525 -3.499 -2.378 200 H SER 32 H SER 32 15.782 -2.704 -7.778 201 HA SER 32 HA SER 32 17.290 -4.421 -9.338 202 HB2 SER 32 1HB SER 32 16.300 -1.624 -9.697 203 HB3 SER 32 2HB SER 32 17.446 -2.268 -10.872 204 HG SER 32 HG SER 32 14.877 -3.246 -10.203 205 H SER 33 H SER 33 18.262 -1.360 -7.835 206 HA SER 33 HA SER 33 20.933 -2.166 -7.455 207 HB2 SER 33 1HB SER 33 20.313 -0.716 -9.980 208 HB3 SER 33 2HB SER 33 21.766 -0.231 -9.105 209 HG SER 33 HG SER 33 21.500 -2.940 -9.305 210 H LEU 34 H LEU 34 22.343 0.019 -7.174 211 HA LEU 34 HA LEU 34 20.776 2.190 -6.072 212 HB2 LEU 34 1HB LEU 34 20.715 1.011 -4.103 213 HB3 LEU 34 2HB LEU 34 22.264 0.226 -4.402 214 HG LEU 34 HG LEU 34 23.289 2.547 -3.984 215 HD11 LEU 34 1HD1 LEU 34 20.461 2.957 -3.137 216 HD12 LEU 34 2HD1 LEU 34 21.561 4.058 -3.964 217 HD13 LEU 34 3HD1 LEU 34 21.758 3.747 -2.240 218 HD21 LEU 34 1HD2 LEU 34 22.421 1.962 -1.374 219 HD22 LEU 34 2HD2 LEU 34 23.918 1.457 -2.158 220 HD23 LEU 34 3HD2 LEU 34 22.489 0.426 -2.238 221 H HIS 35 H HIS 35 21.743 3.943 -6.829 222 HA HIS 35 HA HIS 35 24.649 3.906 -7.247 223 HB2 HIS 35 1HB HIS 35 23.521 4.470 -9.258 224 HB3 HIS 35 2HB HIS 35 22.442 5.588 -8.428 225 HD1 HIS 35 1HD HIS 35 23.058 7.967 -8.663 226 HD2 HIS 35 2HD HIS 35 26.347 5.471 -9.127 227 HE1 HIS 35 1HE HIS 35 24.977 9.485 -9.244 228 HE2 HIS 35 2HE HIS 35 26.937 7.944 -9.603 229 H VAL 36 H VAL 36 25.963 5.594 -6.506 230 HA VAL 36 HA VAL 36 24.760 7.513 -4.647 231 HB VAL 36 HB VAL 36 26.598 7.088 -3.010 232 HG11 VAL 36 1HG1 VAL 36 24.416 6.230 -2.531 233 HG12 VAL 36 2HG1 VAL 36 24.672 4.844 -3.592 234 HG13 VAL 36 3HG1 VAL 36 25.596 4.994 -2.097 235 HG21 VAL 36 1HG2 VAL 36 28.039 5.282 -3.162 236 HG22 VAL 36 2HG2 VAL 36 27.016 4.430 -4.319 237 HG23 VAL 36 3HG2 VAL 36 27.953 5.832 -4.836 238 H ARG 37 H ARG 37 25.752 9.475 -4.591 239 HA ARG 37 HA ARG 37 28.230 9.774 -6.155 240 HB2 ARG 37 1HB ARG 37 26.247 10.598 -7.400 241 HB3 ARG 37 2HB ARG 37 25.914 11.716 -6.084 242 HG2 ARG 37 1HG ARG 37 28.265 12.627 -6.507 243 HG3 ARG 37 2HG ARG 37 28.191 11.739 -8.030 244 HD2 ARG 37 1HD ARG 37 26.045 12.940 -8.517 245 HD3 ARG 37 2HD ARG 37 26.351 13.932 -7.092 246 HE ARG 37 HE ARG 37 28.578 13.962 -8.849 247 HH11 ARG 37 2HH1 ARG 37 25.369 15.245 -8.433 248 HH12 ARG 37 1HH1 ARG 37 25.682 16.680 -9.353 249 HH21 ARG 37 2HH2 ARG 37 29.003 15.846 -10.062 250 HH22 ARG 37 1HH2 ARG 37 27.749 17.020 -10.280 251 HA PRO 38 HA PRO 38 29.453 11.451 -2.170 252 HB2 PRO 38 1HB PRO 38 32.092 11.611 -2.788 253 HB3 PRO 38 2HB PRO 38 31.306 10.100 -2.314 254 HG2 PRO 38 1HG PRO 38 31.986 11.102 -5.051 255 HG3 PRO 38 2HG PRO 38 32.176 9.473 -4.377 256 HD2 PRO 38 1HD PRO 38 30.115 10.148 -5.999 257 HD3 PRO 38 2HD PRO 38 29.957 8.943 -4.705 258 H LEU 39 H LEU 39 29.360 13.530 -1.612 259 HA LEU 39 HA LEU 39 30.302 15.548 -3.543 260 HB2 LEU 39 1HB LEU 39 27.828 15.380 -1.917 261 HB3 LEU 39 2HB LEU 39 28.560 16.971 -2.113 262 HG LEU 39 HG LEU 39 28.492 16.365 -4.658 263 HD11 LEU 39 1HD1 LEU 39 26.537 14.989 -5.225 264 HD12 LEU 39 2HD1 LEU 39 26.347 14.578 -3.520 265 HD13 LEU 39 3HD1 LEU 39 27.788 14.063 -4.396 266 HD21 LEU 39 1HD2 LEU 39 27.288 18.216 -3.650 267 HD22 LEU 39 2HD2 LEU 39 26.037 17.115 -3.072 268 HD23 LEU 39 3HD2 LEU 39 26.256 17.372 -4.804 269 H VAL 40 H VAL 40 31.188 17.492 -2.659 270 HA VAL 40 HA VAL 40 33.192 17.384 -0.940 271 HB VAL 40 HB VAL 40 31.211 19.666 -0.914 272 HG11 VAL 40 1HG1 VAL 40 33.351 19.281 0.760 273 HG12 VAL 40 2HG1 VAL 40 34.039 20.270 -0.530 274 HG13 VAL 40 3HG1 VAL 40 32.626 20.838 0.361 275 HG21 VAL 40 1HG2 VAL 40 33.634 20.043 -2.457 276 HG22 VAL 40 2HG2 VAL 40 32.683 18.680 -3.048 277 HG23 VAL 40 3HG2 VAL 40 31.950 20.279 -2.926 278 H THR 41 H THR 41 30.091 18.594 0.335 279 HA THR 41 HA THR 41 30.707 17.216 2.869 280 HB THR 41 HB THR 41 29.380 19.046 3.987 281 HG1 THR 41 1HG THR 41 28.702 19.717 1.626 282 HG21 THR 41 1HG2 THR 41 31.742 19.116 4.221 283 HG22 THR 41 2HG2 THR 41 31.242 20.747 3.776 284 HG23 THR 41 3HG2 THR 41 31.959 19.683 2.566 285 H SER 42 H SER 42 29.047 16.457 0.463 286 HA SER 42 HA SER 42 26.694 15.638 1.979 287 HB2 SER 42 1HB SER 42 25.274 16.205 -0.094 288 HB3 SER 42 2HB SER 42 25.755 17.541 0.952 289 HG SER 42 HG SER 42 27.187 18.212 -0.532 290 H ILE 43 H ILE 43 25.280 14.223 0.320 291 HA ILE 43 HA ILE 43 26.880 12.694 -1.531 292 HB ILE 43 HB ILE 43 25.848 11.378 0.984 293 HG12 ILE 43 1HG1 ILE 43 28.651 11.823 -0.061 294 HG13 ILE 43 2HG1 ILE 43 27.937 12.556 1.371 295 HG21 ILE 43 1HG2 ILE 43 25.583 10.067 -1.148 296 HG22 ILE 43 2HG2 ILE 43 27.340 10.083 -1.285 297 HG23 ILE 43 3HG2 ILE 43 26.570 9.300 0.095 298 HD11 ILE 43 1HD1 ILE 43 29.201 10.886 2.290 299 HD12 ILE 43 2HD1 ILE 43 27.641 10.080 2.131 300 HD13 ILE 43 3HD1 ILE 43 28.914 9.779 0.948 301 H VAL 44 H VAL 44 25.480 12.747 -3.176 302 HA VAL 44 HA VAL 44 22.634 12.596 -2.783 303 HB VAL 44 HB VAL 44 24.255 12.545 -5.332 304 HG11 VAL 44 1HG1 VAL 44 22.327 11.797 -6.209 305 HG12 VAL 44 2HG1 VAL 44 21.383 12.265 -4.794 306 HG13 VAL 44 3HG1 VAL 44 21.794 13.467 -6.018 307 HG21 VAL 44 1HG2 VAL 44 22.743 14.918 -5.026 308 HG22 VAL 44 2HG2 VAL 44 23.624 14.652 -3.522 309 HG23 VAL 44 3HG2 VAL 44 24.497 14.735 -5.052 310 H VAL 45 H VAL 45 22.029 10.631 -1.988 311 HA VAL 45 HA VAL 45 22.987 8.193 -3.261 312 HB VAL 45 HB VAL 45 21.136 8.602 -0.909 313 HG11 VAL 45 1HG1 VAL 45 21.625 6.120 -0.562 314 HG12 VAL 45 2HG1 VAL 45 20.482 6.549 -1.836 315 HG13 VAL 45 3HG1 VAL 45 22.140 6.109 -2.248 316 HG21 VAL 45 1HG2 VAL 45 23.969 7.573 -0.982 317 HG22 VAL 45 2HG2 VAL 45 23.519 9.228 -0.570 318 HG23 VAL 45 3HG2 VAL 45 22.988 7.891 0.449 319 H SER 46 H SER 46 22.039 7.919 -5.211 320 HA SER 46 HA SER 46 19.111 8.137 -5.370 321 HB2 SER 46 1HB SER 46 19.933 9.479 -7.080 322 HB3 SER 46 2HB SER 46 21.305 8.416 -7.394 323 HG SER 46 HG SER 46 19.826 8.153 -9.042 324 H TRP 47 H TRP 47 17.924 6.354 -5.526 325 HA TRP 47 HA TRP 47 19.239 3.865 -6.397 326 HB2 TRP 47 1HB TRP 47 17.883 2.629 -4.778 327 HB3 TRP 47 2HB TRP 47 18.867 3.842 -3.965 328 HD1 TRP 47 HD TRP 47 15.243 2.949 -4.734 329 HE1 TRP 47 1HE TRP 47 13.700 4.437 -3.310 330 HE3 TRP 47 3HE TRP 47 18.739 6.159 -2.832 331 HZ2 TRP 47 2HZ TRP 47 13.933 6.676 -1.606 332 HZ3 TRP 47 3HZ TRP 47 17.996 7.946 -1.313 333 HH2 TRP 47 HH TRP 47 15.642 8.198 -0.714 334 H THR 48 H THR 48 17.219 2.157 -6.607 335 HA THR 48 HA THR 48 15.058 3.424 -8.113 336 HB THR 48 HB THR 48 15.488 1.427 -9.824 337 HG1 THR 48 1HG THR 48 17.502 0.734 -9.849 338 HG21 THR 48 1HG2 THR 48 16.901 4.095 -9.850 339 HG22 THR 48 2HG2 THR 48 15.297 3.739 -10.490 340 HG23 THR 48 3HG2 THR 48 16.726 3.042 -11.253 341 HA PRO 49 HA PRO 49 12.535 0.277 -6.383 342 HB2 PRO 49 1HB PRO 49 10.739 -0.165 -8.370 343 HB3 PRO 49 2HB PRO 49 10.743 1.304 -7.388 344 HG2 PRO 49 1HG PRO 49 11.856 0.856 -10.130 345 HG3 PRO 49 2HG PRO 49 10.929 2.235 -9.510 346 HD2 PRO 49 1HD PRO 49 13.622 2.294 -9.781 347 HD3 PRO 49 2HD PRO 49 12.772 3.181 -8.500 348 HA PRO 50 HA PRO 50 13.722 -3.765 -7.644 349 HB2 PRO 50 1HB PRO 50 11.507 -5.232 -7.085 350 HB3 PRO 50 2HB PRO 50 12.564 -4.572 -5.831 351 HG2 PRO 50 1HG PRO 50 9.959 -3.517 -6.860 352 HG3 PRO 50 2HG PRO 50 10.537 -3.633 -5.188 353 HD2 PRO 50 1HD PRO 50 10.604 -1.321 -6.596 354 HD3 PRO 50 2HD PRO 50 11.819 -1.725 -5.366 355 H GLU 51 H GLU 51 13.881 -4.815 -9.531 356 HA GLU 51 HA GLU 51 12.782 -4.119 -11.881 357 HB2 GLU 51 1HB GLU 51 13.816 -6.710 -10.855 358 HB3 GLU 51 2HB GLU 51 12.957 -6.740 -12.388 359 HG2 GLU 51 1HG GLU 51 14.533 -4.821 -13.062 360 HG3 GLU 51 2HG GLU 51 15.506 -5.342 -11.687 361 H ASN 52 H ASN 52 11.236 -6.045 -9.414 362 HA ASN 52 HA ASN 52 8.938 -6.566 -11.143 363 HB2 ASN 52 1HB ASN 52 10.101 -8.214 -9.400 364 HB3 ASN 52 2HB ASN 52 8.979 -7.430 -8.291 365 HD21 ASN 52 1HD2 ASN 52 8.872 -10.134 -8.898 366 HD22 ASN 52 2HD2 ASN 52 7.410 -10.454 -9.763 367 H GLN 53 H GLN 53 6.752 -6.177 -10.257 368 HA GLN 53 HA GLN 53 6.671 -3.781 -8.547 369 HB2 GLN 53 1HB GLN 53 4.860 -4.336 -10.901 370 HB3 GLN 53 2HB GLN 53 4.852 -2.898 -9.889 371 HG2 GLN 53 1HG GLN 53 6.869 -3.751 -11.926 372 HG3 GLN 53 2HG GLN 53 5.967 -2.241 -11.819 373 HE21 GLN 53 1HE2 GLN 53 6.369 -1.427 -9.296 374 HE22 GLN 53 2HE2 GLN 53 8.047 -1.137 -9.003 375 H ASN 54 H ASN 54 4.903 -6.612 -9.727 376 HA ASN 54 HA ASN 54 2.581 -6.604 -8.397 377 HB2 ASN 54 1HB ASN 54 2.668 -9.012 -8.260 378 HB3 ASN 54 2HB ASN 54 3.473 -8.511 -9.744 379 HD21 ASN 54 1HD2 ASN 54 5.907 -7.679 -8.654 380 HD22 ASN 54 2HD2 ASN 54 6.745 -9.071 -8.066 381 H ILE 55 H ILE 55 5.727 -6.824 -6.925 382 HA ILE 55 HA ILE 55 4.760 -7.583 -4.329 383 HB ILE 55 HB ILE 55 7.437 -6.401 -5.074 384 HG12 ILE 55 1HG1 ILE 55 6.745 -9.313 -4.666 385 HG13 ILE 55 2HG1 ILE 55 6.796 -8.550 -6.251 386 HG21 ILE 55 1HG2 ILE 55 6.478 -6.527 -2.605 387 HG22 ILE 55 2HG2 ILE 55 7.048 -8.190 -2.740 388 HG23 ILE 55 3HG2 ILE 55 8.173 -6.851 -2.967 389 HD11 ILE 55 1HD1 ILE 55 9.040 -9.102 -4.357 390 HD12 ILE 55 2HD1 ILE 55 8.870 -9.560 -6.052 391 HD13 ILE 55 3HD1 ILE 55 9.190 -7.881 -5.620 392 H VAL 56 H VAL 56 4.286 -6.314 -2.608 393 HA VAL 56 HA VAL 56 3.741 -3.536 -3.104 394 HB VAL 56 HB VAL 56 3.490 -5.130 -0.549 395 HG11 VAL 56 1HG1 VAL 56 1.755 -3.167 -0.193 396 HG12 VAL 56 2HG1 VAL 56 3.453 -2.994 0.257 397 HG13 VAL 56 3HG1 VAL 56 2.867 -2.313 -1.262 398 HG21 VAL 56 1HG2 VAL 56 1.882 -6.130 -1.789 399 HG22 VAL 56 2HG2 VAL 56 0.964 -4.693 -1.338 400 HG23 VAL 56 3HG2 VAL 56 1.753 -4.778 -2.914 401 H VAL 57 H VAL 57 4.948 -1.822 -2.586 402 HA VAL 57 HA VAL 57 7.255 -2.231 -0.798 403 HB VAL 57 HB VAL 57 7.176 -0.472 -3.254 404 HG11 VAL 57 1HG1 VAL 57 9.707 -1.082 -1.852 405 HG12 VAL 57 2HG1 VAL 57 9.193 0.388 -2.682 406 HG13 VAL 57 3HG1 VAL 57 8.608 0.042 -1.054 407 HG21 VAL 57 1HG2 VAL 57 7.354 -3.066 -3.450 408 HG22 VAL 57 2HG2 VAL 57 8.444 -2.038 -4.380 409 HG23 VAL 57 3HG2 VAL 57 9.007 -2.805 -2.895 410 H ARG 58 H ARG 58 7.302 -0.932 0.913 411 HA ARG 58 HA ARG 58 5.458 1.337 1.005 412 HB2 ARG 58 1HB ARG 58 6.858 -0.306 3.089 413 HB3 ARG 58 2HB ARG 58 6.224 1.284 3.494 414 HG2 ARG 58 1HG ARG 58 4.487 -0.775 2.192 415 HG3 ARG 58 2HG ARG 58 4.761 -0.779 3.935 416 HD2 ARG 58 1HD ARG 58 4.111 1.742 3.752 417 HD3 ARG 58 2HD ARG 58 3.365 1.241 2.234 418 HE ARG 58 HE ARG 58 2.375 -0.545 3.984 419 HH11 ARG 58 2HH1 ARG 58 2.589 2.929 4.039 420 HH12 ARG 58 1HH1 ARG 58 1.154 3.132 4.989 421 HH21 ARG 58 2HH2 ARG 58 0.485 -0.291 5.235 422 HH22 ARG 58 1HH2 ARG 58 -0.042 1.300 5.669 423 H GLY 59 H GLY 59 8.878 0.546 1.390 424 HA2 GLY 59 1HA GLY 59 9.774 3.042 0.469 425 HA3 GLY 59 2HA GLY 59 9.774 3.074 2.226 426 H TYR 60 H TYR 60 12.093 3.380 2.002 427 HA TYR 60 HA TYR 60 13.466 0.809 1.975 428 HB2 TYR 60 1HB TYR 60 14.785 3.050 0.498 429 HB3 TYR 60 2HB TYR 60 15.021 1.314 0.336 430 HD1 TYR 60 1HD TYR 60 13.451 -0.036 -0.988 431 HD2 TYR 60 2HD TYR 60 13.070 4.195 -0.739 432 HE1 TYR 60 1HE TYR 60 11.954 -0.062 -2.940 433 HE2 TYR 60 2HE TYR 60 11.570 4.180 -2.689 434 HH TYR 60 HH TYR 60 11.300 1.683 -4.780 435 H ALA 61 H ALA 61 15.471 0.819 3.093 436 HA ALA 61 HA ALA 61 15.720 3.067 4.971 437 HB1 ALA 61 1HB ALA 61 17.058 0.436 5.412 438 HB2 ALA 61 2HB ALA 61 16.456 1.604 6.589 439 HB3 ALA 61 3HB ALA 61 15.324 0.591 5.694 440 H ILE 62 H ILE 62 17.418 4.374 4.826 441 HA ILE 62 HA ILE 62 19.706 3.518 3.189 442 HB ILE 62 HB ILE 62 18.820 6.310 3.923 443 HG12 ILE 62 1HG1 ILE 62 18.911 5.240 1.133 444 HG13 ILE 62 2HG1 ILE 62 17.553 4.803 2.163 445 HG21 ILE 62 1HG2 ILE 62 20.564 6.665 1.918 446 HG22 ILE 62 2HG2 ILE 62 21.025 6.705 3.619 447 HG23 ILE 62 3HG2 ILE 62 21.270 5.237 2.674 448 HD11 ILE 62 1HD1 ILE 62 17.725 7.516 2.507 449 HD12 ILE 62 2HD1 ILE 62 18.142 7.301 0.806 450 HD13 ILE 62 3HD1 ILE 62 16.614 6.676 1.426 451 H GLY 63 H GLY 63 21.447 2.908 4.281 452 HA2 GLY 63 1HA GLY 63 21.948 4.150 6.915 453 HA3 GLY 63 2HA GLY 63 22.414 2.508 6.496 454 H TYR 64 H TYR 64 23.744 5.297 7.196 455 HA TYR 64 HA TYR 64 26.011 4.856 5.387 456 HB2 TYR 64 1HB TYR 64 26.323 7.274 5.123 457 HB3 TYR 64 2HB TYR 64 24.756 6.768 4.502 458 HD1 TYR 64 1HD TYR 64 22.694 7.298 5.768 459 HD2 TYR 64 2HD TYR 64 26.496 8.786 6.965 460 HE1 TYR 64 1HE TYR 64 21.585 8.974 7.185 461 HE2 TYR 64 2HE TYR 64 25.397 10.466 8.387 462 HH TYR 64 HH TYR 64 23.091 10.647 9.575 463 H GLY 65 H GLY 65 28.028 5.902 6.194 464 HA2 GLY 65 1HA GLY 65 28.661 7.065 8.492 465 HA3 GLY 65 2HA GLY 65 28.219 5.467 9.073 466 H ILE 66 H ILE 66 30.761 6.544 9.443 467 HA ILE 66 HA ILE 66 32.581 5.624 7.444 468 HB ILE 66 HB ILE 66 33.145 6.280 10.338 469 HG12 ILE 66 1HG1 ILE 66 32.120 8.184 9.230 470 HG13 ILE 66 2HG1 ILE 66 33.838 8.495 9.457 471 HG21 ILE 66 1HG2 ILE 66 35.186 5.528 9.874 472 HG22 ILE 66 2HG2 ILE 66 34.793 5.325 8.168 473 HG23 ILE 66 3HG2 ILE 66 35.356 6.887 8.763 474 HD11 ILE 66 1HD1 ILE 66 34.255 7.932 7.128 475 HD12 ILE 66 2HD1 ILE 66 32.538 7.598 6.897 476 HD13 ILE 66 3HD1 ILE 66 33.076 9.235 7.273 477 H GLY 67 H GLY 67 32.947 3.552 7.019 478 HA2 GLY 67 1HA GLY 67 33.829 1.433 7.537 479 HA3 GLY 67 2HA GLY 67 33.469 1.722 9.232 480 H SER 68 H SER 68 30.881 2.180 9.401 481 HA SER 68 HA SER 68 29.499 0.067 7.908 482 HB2 SER 68 1HB SER 68 29.503 0.372 10.919 483 HB3 SER 68 2HB SER 68 28.402 -0.679 10.028 484 HG SER 68 HG SER 68 30.671 -1.385 9.120 485 HA PRO 69 HA PRO 69 26.332 3.094 7.511 486 HB2 PRO 69 1HB PRO 69 24.225 1.460 6.999 487 HB3 PRO 69 2HB PRO 69 25.499 1.784 5.817 488 HG2 PRO 69 1HG PRO 69 25.153 -0.572 7.631 489 HG3 PRO 69 2HG PRO 69 25.625 -0.536 5.922 490 HD2 PRO 69 1HD PRO 69 27.424 -0.835 7.923 491 HD3 PRO 69 2HD PRO 69 27.813 0.002 6.407 492 H HIS 70 H HIS 70 25.845 0.357 9.682 493 HA HIS 70 HA HIS 70 23.574 0.837 11.009 494 HB2 HIS 70 1HB HIS 70 26.207 0.378 12.425 495 HB3 HIS 70 2HB HIS 70 24.604 -0.004 13.046 496 HD1 HIS 70 1HD HIS 70 23.341 -1.545 10.816 497 HD2 HIS 70 2HD HIS 70 27.336 -2.009 11.861 498 HE1 HIS 70 1HE HIS 70 23.999 -3.820 9.968 499 HE2 HIS 70 2HE HIS 70 26.395 -4.113 10.687 500 H ALA 71 H ALA 71 26.467 2.819 11.215 501 HA ALA 71 HA ALA 71 26.166 4.400 13.353 502 HB1 ALA 71 1HB ALA 71 27.817 5.397 12.250 503 HB2 ALA 71 2HB ALA 71 27.241 4.778 10.702 504 HB3 ALA 71 3HB ALA 71 26.588 6.284 11.348 505 H GLN 72 H GLN 72 24.515 5.171 10.280 506 HA GLN 72 HA GLN 72 22.278 6.251 11.843 507 HB2 GLN 72 1HB GLN 72 23.740 7.630 9.595 508 HB3 GLN 72 2HB GLN 72 22.124 8.100 10.105 509 HG2 GLN 72 1HG GLN 72 23.335 9.559 11.341 510 HG3 GLN 72 2HG GLN 72 23.289 8.207 12.471 511 HE21 GLN 72 1HE2 GLN 72 25.166 8.157 13.482 512 HE22 GLN 72 2HE2 GLN 72 26.722 8.251 12.737 513 H THR 73 H THR 73 20.253 6.240 10.775 514 HA THR 73 HA THR 73 20.111 4.851 8.205 515 HB THR 73 HB THR 73 18.601 3.920 10.655 516 HG1 THR 73 1HG THR 73 19.933 1.937 9.703 517 HG21 THR 73 1HG2 THR 73 17.633 3.838 8.159 518 HG22 THR 73 2HG2 THR 73 17.341 2.560 9.338 519 HG23 THR 73 3HG2 THR 73 18.611 2.371 8.130 520 H ILE 74 H ILE 74 18.489 5.553 6.927 521 HA ILE 74 HA ILE 74 16.490 7.351 8.136 522 HB ILE 74 HB ILE 74 17.692 7.613 5.378 523 HG12 ILE 74 1HG1 ILE 74 18.072 9.494 7.703 524 HG13 ILE 74 2HG1 ILE 74 19.183 8.167 7.386 525 HG21 ILE 74 1HG2 ILE 74 16.350 9.945 6.372 526 HG22 ILE 74 2HG2 ILE 74 16.044 9.021 4.903 527 HG23 ILE 74 3HG2 ILE 74 15.265 8.555 6.415 528 HD11 ILE 74 1HD1 ILE 74 19.487 10.658 6.425 529 HD12 ILE 74 2HD1 ILE 74 20.133 9.214 5.645 530 HD13 ILE 74 3HD1 ILE 74 18.610 9.910 5.092 531 H LYS 75 H LYS 75 14.395 7.050 7.596 532 HA LYS 75 HA LYS 75 13.805 4.955 5.607 533 HB2 LYS 75 1HB LYS 75 12.432 5.570 8.225 534 HB3 LYS 75 2HB LYS 75 11.733 4.526 6.994 535 HG2 LYS 75 1HG LYS 75 14.458 3.997 8.118 536 HG3 LYS 75 2HG LYS 75 12.996 3.437 8.933 537 HD2 LYS 75 1HD LYS 75 12.439 2.536 6.501 538 HD3 LYS 75 2HD LYS 75 14.198 2.565 6.357 539 HE2 LYS 75 1HE LYS 75 13.752 0.419 7.142 540 HE3 LYS 75 2HE LYS 75 14.191 1.307 8.600 541 HZ1 LYS 75 1HZ LYS 75 11.619 1.698 8.692 542 HZ2 LYS 75 2HZ LYS 75 12.300 0.271 9.291 543 HZ3 LYS 75 3HZ LYS 75 11.576 0.285 7.762 544 H VAL 76 H VAL 76 12.613 5.572 3.932 545 HA VAL 76 HA VAL 76 10.741 7.810 4.246 546 HB VAL 76 HB VAL 76 11.425 8.731 2.057 547 HG11 VAL 76 1HG1 VAL 76 13.921 9.256 3.035 548 HG12 VAL 76 2HG1 VAL 76 12.443 10.091 3.518 549 HG13 VAL 76 3HG1 VAL 76 13.055 8.748 4.485 550 HG21 VAL 76 1HG2 VAL 76 12.849 7.697 0.693 551 HG22 VAL 76 2HG2 VAL 76 14.053 7.529 1.972 552 HG23 VAL 76 3HG2 VAL 76 12.784 6.318 1.790 553 H ASP 77 H ASP 77 9.261 7.986 2.320 554 HA ASP 77 HA ASP 77 8.031 5.476 1.849 555 HB2 ASP 77 1HB ASP 77 7.573 8.216 0.665 556 HB3 ASP 77 2HB ASP 77 6.589 6.816 0.248 557 H TYR 78 H TYR 78 7.338 4.954 -0.530 558 HA TYR 78 HA TYR 78 9.714 4.193 -1.902 559 HB2 TYR 78 1HB TYR 78 8.028 3.424 -3.674 560 HB3 TYR 78 2HB TYR 78 7.921 2.677 -2.084 561 HD1 TYR 78 1HD TYR 78 6.309 4.967 -4.448 562 HD2 TYR 78 2HD TYR 78 6.033 3.116 -0.627 563 HE1 TYR 78 1HE TYR 78 3.940 5.616 -4.311 564 HE2 TYR 78 2HE TYR 78 3.664 3.759 -0.480 565 HH TYR 78 HH TYR 78 2.253 5.893 -1.789 566 H LYS 79 H LYS 79 7.303 6.708 -2.355 567 HA LYS 79 HA LYS 79 7.730 7.574 -4.897 568 HB2 LYS 79 1HB LYS 79 7.393 9.243 -2.402 569 HB3 LYS 79 2HB LYS 79 7.294 9.895 -4.032 570 HG2 LYS 79 1HG LYS 79 5.088 9.545 -3.644 571 HG3 LYS 79 2HG LYS 79 5.507 7.962 -4.303 572 HD2 LYS 79 1HD LYS 79 5.342 6.922 -2.274 573 HD3 LYS 79 2HD LYS 79 5.800 8.369 -1.373 574 HE2 LYS 79 1HE LYS 79 3.418 7.672 -1.081 575 HE3 LYS 79 2HE LYS 79 3.632 9.322 -1.661 576 HZ1 LYS 79 1HZ LYS 79 2.006 7.502 -2.786 577 HZ2 LYS 79 2HZ LYS 79 3.386 7.349 -3.752 578 HZ3 LYS 79 3HZ LYS 79 2.631 8.854 -3.589 579 H GLN 80 H GLN 80 9.689 8.478 -2.066 580 HA GLN 80 HA GLN 80 11.489 10.177 -3.282 581 HB2 GLN 80 1HB GLN 80 11.850 8.224 -1.015 582 HB3 GLN 80 2HB GLN 80 13.124 9.330 -1.515 583 HG2 GLN 80 1HG GLN 80 10.457 9.970 -0.312 584 HG3 GLN 80 2HG GLN 80 12.065 10.385 0.279 585 HE21 GLN 80 1HE2 GLN 80 9.505 11.210 -1.886 586 HE22 GLN 80 2HE2 GLN 80 10.139 12.735 -2.394 587 H ARG 81 H ARG 81 12.716 9.884 -5.011 588 HA ARG 81 HA ARG 81 13.528 7.201 -5.794 589 HB2 ARG 81 1HB ARG 81 12.623 9.183 -7.306 590 HB3 ARG 81 2HB ARG 81 14.325 9.625 -7.338 591 HG2 ARG 81 1HG ARG 81 13.542 6.819 -7.960 592 HG3 ARG 81 2HG ARG 81 13.314 8.076 -9.177 593 HD2 ARG 81 1HD ARG 81 15.936 7.913 -7.782 594 HD3 ARG 81 2HD ARG 81 15.563 6.701 -9.007 595 HE ARG 81 HE ARG 81 15.573 8.375 -10.642 596 HH11 ARG 81 2HH1 ARG 81 16.185 9.652 -7.462 597 HH12 ARG 81 1HH1 ARG 81 16.792 11.166 -8.045 598 HH21 ARG 81 2HH2 ARG 81 16.370 10.365 -11.422 599 HH22 ARG 81 1HH2 ARG 81 16.896 11.571 -10.297 600 H TYR 82 H TYR 82 14.895 10.130 -4.497 601 HA TYR 82 HA TYR 82 17.402 8.741 -4.017 602 HB2 TYR 82 1HB TYR 82 18.808 10.373 -5.039 603 HB3 TYR 82 2HB TYR 82 17.609 9.918 -6.244 604 HD1 TYR 82 2HD TYR 82 15.526 11.457 -6.432 605 HD2 TYR 82 1HD TYR 82 19.162 12.619 -4.554 606 HE1 TYR 82 2HE TYR 82 14.913 13.821 -6.721 607 HE2 TYR 82 1HE TYR 82 18.559 14.987 -4.836 608 HH TYR 82 HH TYR 82 16.056 16.017 -6.855 609 H TYR 83 H TYR 83 18.833 9.980 -2.552 610 HA TYR 83 HA TYR 83 17.421 11.996 -0.956 611 HB2 TYR 83 1HB TYR 83 17.123 9.753 0.100 612 HB3 TYR 83 2HB TYR 83 18.872 9.631 0.248 613 HD1 TYR 83 2HD TYR 83 20.053 11.511 1.583 614 HD2 TYR 83 1HD TYR 83 15.878 10.725 1.809 615 HE1 TYR 83 2HE TYR 83 19.956 12.682 3.744 616 HE2 TYR 83 1HE TYR 83 15.768 11.896 3.970 617 HH TYR 83 HH TYR 83 18.017 13.941 5.067 618 H THR 84 H THR 84 18.668 13.659 -0.355 619 HA THR 84 HA THR 84 21.515 13.538 -1.030 620 HB THR 84 HB THR 84 19.767 15.929 -0.415 621 HG1 THR 84 1HG THR 84 19.466 16.038 -2.522 622 HG21 THR 84 1HG2 THR 84 22.225 16.139 0.154 623 HG22 THR 84 2HG2 THR 84 21.603 17.311 -1.008 624 HG23 THR 84 3HG2 THR 84 22.551 15.933 -1.566 625 H ILE 85 H ILE 85 22.634 12.733 0.658 626 HA ILE 85 HA ILE 85 21.969 13.434 3.382 627 HB ILE 85 HB ILE 85 24.356 11.883 2.377 628 HG12 ILE 85 1HG1 ILE 85 21.780 10.751 3.469 629 HG13 ILE 85 2HG1 ILE 85 22.071 10.959 1.745 630 HG21 ILE 85 1HG2 ILE 85 23.993 10.905 4.789 631 HG22 ILE 85 2HG2 ILE 85 24.907 12.392 4.540 632 HG23 ILE 85 3HG2 ILE 85 23.226 12.468 5.067 633 HD11 ILE 85 1HD1 ILE 85 23.968 9.403 3.456 634 HD12 ILE 85 2HD1 ILE 85 22.511 8.667 2.789 635 HD13 ILE 85 3HD1 ILE 85 23.733 9.337 1.709 636 H GLU 86 H GLU 86 22.543 15.348 4.166 637 HA GLU 86 HA GLU 86 25.121 16.499 3.328 638 HB2 GLU 86 1HB GLU 86 22.670 17.886 4.429 639 HB3 GLU 86 2HB GLU 86 24.181 18.681 4.008 640 HG2 GLU 86 1HG GLU 86 23.891 18.179 1.699 641 HG3 GLU 86 2HG GLU 86 22.516 17.132 2.043 642 H ASN 87 H ASN 87 25.908 18.133 5.124 643 HA ASN 87 HA ASN 87 26.780 18.445 7.205 644 HB2 ASN 87 1HB ASN 87 24.685 16.520 8.223 645 HB3 ASN 87 2HB ASN 87 25.541 17.757 9.140 646 HD21 ASN 87 1HD2 ASN 87 23.026 17.115 6.840 647 HD22 ASN 87 2HD2 ASN 87 22.278 18.671 6.916 648 H LEU 88 H LEU 88 28.059 16.668 5.595 649 HA LEU 88 HA LEU 88 28.831 14.488 7.419 650 HB2 LEU 88 1HB LEU 88 29.062 14.628 4.417 651 HB3 LEU 88 2HB LEU 88 29.645 13.302 5.421 652 HG LEU 88 HG LEU 88 26.755 14.117 5.118 653 HD11 LEU 88 1HD1 LEU 88 28.363 12.739 3.318 654 HD12 LEU 88 2HD1 LEU 88 26.600 12.777 3.354 655 HD13 LEU 88 3HD1 LEU 88 27.471 11.484 4.178 656 HD21 LEU 88 1HD2 LEU 88 26.694 13.079 7.132 657 HD22 LEU 88 2HD2 LEU 88 28.187 12.186 6.844 658 HD23 LEU 88 3HD2 LEU 88 26.678 11.640 6.111 659 H ASP 89 H ASP 89 31.187 13.725 6.789 660 HA ASP 89 HA ASP 89 32.867 16.128 6.959 661 HB2 ASP 89 1HB ASP 89 33.208 13.308 7.944 662 HB3 ASP 89 2HB ASP 89 34.596 14.378 7.771 663 HA PRO 90 HA PRO 90 34.219 15.199 2.822 664 HB2 PRO 90 1HB PRO 90 36.051 17.197 2.670 665 HB3 PRO 90 2HB PRO 90 34.312 17.473 2.511 666 HG2 PRO 90 1HG PRO 90 36.082 17.859 4.894 667 HG3 PRO 90 2HG PRO 90 34.791 18.907 4.277 668 HD2 PRO 90 1HD PRO 90 34.430 17.233 6.374 669 HD3 PRO 90 2HD PRO 90 33.126 17.635 5.239 670 H SER 91 H SER 91 35.968 14.194 1.868 671 HA SER 91 HA SER 91 37.984 13.135 1.673 672 HB2 SER 91 1HB SER 91 38.835 15.278 2.836 673 HB3 SER 91 2HB SER 91 38.867 14.303 4.305 674 HG SER 91 HG SER 91 40.219 13.695 1.883 675 H SER 92 H SER 92 35.798 11.831 2.748 676 HA SER 92 HA SER 92 37.130 9.801 4.352 677 HB2 SER 92 1HB SER 92 34.585 11.175 5.249 678 HB3 SER 92 2HB SER 92 35.242 9.708 5.975 679 HG SER 92 HG SER 92 37.244 11.197 6.109 680 H HIS 93 H HIS 93 35.982 7.771 4.396 681 HA HIS 93 HA HIS 93 34.313 7.432 2.010 682 HB2 HIS 93 1HB HIS 93 36.132 5.960 1.886 683 HB3 HIS 93 2HB HIS 93 36.057 5.573 3.602 684 HD1 HIS 93 1HD HIS 93 35.861 3.057 3.285 685 HD2 HIS 93 2HD HIS 93 32.903 5.198 1.305 686 HE1 HIS 93 1HE HIS 93 34.184 1.343 2.528 687 HE2 HIS 93 2HE HIS 93 32.447 2.653 1.258 688 H TYR 94 H TYR 94 32.204 7.087 2.192 689 HA TYR 94 HA TYR 94 31.155 6.171 4.790 690 HB2 TYR 94 1HB TYR 94 30.010 8.110 2.785 691 HB3 TYR 94 2HB TYR 94 29.024 7.366 4.039 692 HD1 TYR 94 2HD TYR 94 31.903 9.606 3.434 693 HD2 TYR 94 1HD TYR 94 29.099 8.145 6.281 694 HE1 TYR 94 2HE TYR 94 32.603 11.356 5.013 695 HE2 TYR 94 1HE TYR 94 29.790 9.893 7.867 696 HH TYR 94 HH TYR 94 30.892 11.930 7.997 697 H VAL 95 H VAL 95 30.124 4.290 4.799 698 HA VAL 95 HA VAL 95 29.603 2.932 2.288 699 HB VAL 95 HB VAL 95 29.270 1.981 5.137 700 HG11 VAL 95 1HG1 VAL 95 28.801 0.665 2.494 701 HG12 VAL 95 2HG1 VAL 95 29.332 -0.293 3.878 702 HG13 VAL 95 3HG1 VAL 95 27.822 0.616 3.960 703 HG21 VAL 95 1HG2 VAL 95 31.283 0.589 3.693 704 HG22 VAL 95 2HG2 VAL 95 31.577 2.319 3.520 705 HG23 VAL 95 3HG2 VAL 95 31.458 1.602 5.126 706 H ILE 96 H ILE 96 27.768 3.461 1.282 707 HA ILE 96 HA ILE 96 25.363 4.023 2.844 708 HB ILE 96 HB ILE 96 25.943 4.350 -0.100 709 HG12 ILE 96 1HG1 ILE 96 25.340 6.807 0.749 710 HG13 ILE 96 2HG1 ILE 96 25.925 6.151 2.274 711 HG21 ILE 96 1HG2 ILE 96 23.745 4.255 -0.424 712 HG22 ILE 96 2HG2 ILE 96 23.425 4.184 1.308 713 HG23 ILE 96 3HG2 ILE 96 23.621 5.745 0.511 714 HD11 ILE 96 1HD1 ILE 96 27.882 5.370 0.560 715 HD12 ILE 96 2HD1 ILE 96 27.390 6.917 -0.132 716 HD13 ILE 96 3HD1 ILE 96 27.920 6.830 1.548 717 H THR 97 H THR 97 23.592 2.748 2.870 718 HA THR 97 HA THR 97 23.596 0.352 1.157 719 HB THR 97 HB THR 97 22.554 -0.901 3.054 720 HG1 THR 97 1HG THR 97 23.571 0.838 4.940 721 HG21 THR 97 1HG2 THR 97 25.121 -0.693 2.464 722 HG22 THR 97 2HG2 THR 97 24.582 -1.577 3.891 723 HG23 THR 97 3HG2 THR 97 25.189 0.070 4.051 724 H LEU 98 H LEU 98 21.455 -0.626 0.870 725 HA LEU 98 HA LEU 98 19.161 1.056 1.459 726 HB2 LEU 98 1HB LEU 98 19.993 1.974 -0.636 727 HB3 LEU 98 2HB LEU 98 19.974 0.368 -1.362 728 HG LEU 98 HG LEU 98 17.413 0.484 -0.789 729 HD11 LEU 98 1HD1 LEU 98 18.317 3.116 -0.113 730 HD12 LEU 98 2HD1 LEU 98 16.707 2.414 0.039 731 HD13 LEU 98 3HD1 LEU 98 17.188 3.198 -1.465 732 HD21 LEU 98 1HD2 LEU 98 18.307 0.257 -3.027 733 HD22 LEU 98 2HD2 LEU 98 18.699 1.976 -3.074 734 HD23 LEU 98 3HD2 LEU 98 17.014 1.456 -3.016 735 H LYS 99 H LYS 99 17.388 -0.128 1.835 736 HA LYS 99 HA LYS 99 17.176 -2.816 0.703 737 HB2 LYS 99 1HB LYS 99 16.741 -3.861 2.808 738 HB3 LYS 99 2HB LYS 99 18.252 -2.976 2.965 739 HG2 LYS 99 1HG LYS 99 17.173 -1.223 4.186 740 HG3 LYS 99 2HG LYS 99 15.585 -1.933 3.890 741 HD2 LYS 99 1HD LYS 99 15.949 -2.752 5.982 742 HD3 LYS 99 2HD LYS 99 16.740 -4.028 5.053 743 HE2 LYS 99 1HE LYS 99 18.238 -3.448 6.788 744 HE3 LYS 99 2HE LYS 99 18.884 -2.722 5.317 745 HZ1 LYS 99 1HZ LYS 99 18.674 -0.692 6.166 746 HZ2 LYS 99 2HZ LYS 99 18.420 -1.430 7.667 747 HZ3 LYS 99 3HZ LYS 99 17.098 -0.974 6.714 748 H ALA 100 H ALA 100 15.156 -3.320 0.093 749 HA ALA 100 HA ALA 100 13.066 -1.347 0.551 750 HB1 ALA 100 1HB ALA 100 12.764 -1.841 -1.608 751 HB2 ALA 100 2HB ALA 100 13.644 -3.365 -1.478 752 HB3 ALA 100 3HB ALA 100 11.942 -3.287 -1.021 753 H PHE 101 H PHE 101 11.437 -1.592 1.938 754 HA PHE 101 HA PHE 101 10.758 -4.284 2.886 755 HB2 PHE 101 1HB PHE 101 10.717 -3.595 5.185 756 HB3 PHE 101 2HB PHE 101 12.286 -3.149 4.523 757 HD1 PHE 101 2HD PHE 101 12.632 -0.743 3.792 758 HD2 PHE 101 1HD PHE 101 9.343 -2.002 6.184 759 HE1 PHE 101 2HE PHE 101 12.282 1.579 4.527 760 HE2 PHE 101 1HE PHE 101 8.988 0.319 6.922 761 HZ PHE 101 HZ PHE 101 10.459 2.112 6.094 762 H ASN 102 H ASN 102 8.613 -4.605 3.401 763 HA ASN 102 HA ASN 102 6.804 -2.315 3.039 764 HB2 ASN 102 1HB ASN 102 5.290 -3.666 1.714 765 HB3 ASN 102 2HB ASN 102 6.885 -3.693 0.968 766 HD21 ASN 102 1HD2 ASN 102 5.175 -5.592 0.234 767 HD22 ASN 102 2HD2 ASN 102 5.605 -7.121 0.916 768 H ASN 103 H ASN 103 4.415 -3.351 3.529 769 HA ASN 103 HA ASN 103 4.137 -3.500 6.228 770 HB2 ASN 103 1HB ASN 103 1.936 -4.387 5.890 771 HB3 ASN 103 2HB ASN 103 2.286 -3.325 4.530 772 HD21 ASN 103 1HD2 ASN 103 0.807 -6.057 5.241 773 HD22 ASN 103 2HD2 ASN 103 1.064 -6.965 3.794 774 H VAL 104 H VAL 104 4.948 -6.124 4.048 775 HA VAL 104 HA VAL 104 4.630 -8.222 5.948 776 HB VAL 104 HB VAL 104 6.374 -8.238 3.484 777 HG11 VAL 104 1HG1 VAL 104 6.351 -10.085 5.401 778 HG12 VAL 104 2HG1 VAL 104 4.953 -10.641 4.479 779 HG13 VAL 104 3HG1 VAL 104 6.527 -10.495 3.695 780 HG21 VAL 104 1HG2 VAL 104 3.518 -9.165 3.642 781 HG22 VAL 104 2HG2 VAL 104 3.960 -7.539 3.122 782 HG23 VAL 104 3HG2 VAL 104 4.518 -8.939 2.206 783 H GLY 105 H GLY 105 7.446 -6.408 4.755 784 HA2 GLY 105 1HA GLY 105 8.854 -6.123 7.041 785 HA3 GLY 105 2HA GLY 105 9.231 -7.775 6.576 786 H GLU 106 H GLU 106 11.442 -6.781 6.563 787 HA GLU 106 HA GLU 106 11.980 -5.314 4.075 788 HB2 GLU 106 1HB GLU 106 14.165 -4.779 5.075 789 HB3 GLU 106 2HB GLU 106 12.831 -4.242 6.087 790 HG2 GLU 106 1HG GLU 106 14.159 -5.169 7.673 791 HG3 GLU 106 2HG GLU 106 13.206 -6.585 7.231 792 H GLY 107 H GLY 107 13.940 -5.914 2.864 793 HA2 GLY 107 1HA GLY 107 14.247 -8.846 2.838 794 HA3 GLY 107 2HA GLY 107 14.456 -7.799 1.442 795 H ILE 108 H ILE 108 16.512 -7.964 0.830 796 HA ILE 108 HA ILE 108 18.600 -7.949 2.901 797 HB ILE 108 HB ILE 108 19.995 -8.576 0.706 798 HG12 ILE 108 1HG1 ILE 108 17.721 -8.452 -0.557 799 HG13 ILE 108 2HG1 ILE 108 18.817 -9.786 -0.900 800 HG21 ILE 108 1HG2 ILE 108 19.805 -9.830 2.846 801 HG22 ILE 108 2HG2 ILE 108 18.356 -10.606 2.211 802 HG23 ILE 108 3HG2 ILE 108 19.911 -10.863 1.421 803 HD11 ILE 108 1HD1 ILE 108 16.707 -10.115 1.177 804 HD12 ILE 108 2HD1 ILE 108 16.288 -10.231 -0.533 805 HD13 ILE 108 3HD1 ILE 108 17.485 -11.326 0.158 806 HA PRO 109 HA PRO 109 19.484 -3.784 1.615 807 HB2 PRO 109 1HB PRO 109 21.671 -3.453 3.188 808 HB3 PRO 109 2HB PRO 109 20.019 -3.388 3.814 809 HG2 PRO 109 1HG PRO 109 21.982 -5.648 3.879 810 HG3 PRO 109 2HG PRO 109 20.896 -5.073 5.157 811 HD2 PRO 109 1HD PRO 109 20.337 -7.244 3.638 812 HD3 PRO 109 2HD PRO 109 19.072 -6.175 4.277 813 H LEU 110 H LEU 110 21.366 -2.594 0.728 814 HA LEU 110 HA LEU 110 23.084 -4.402 -0.835 815 HB2 LEU 110 1HB LEU 110 21.999 -1.661 -1.413 816 HB3 LEU 110 2HB LEU 110 23.327 -2.361 -2.336 817 HG LEU 110 HG LEU 110 20.728 -3.825 -2.096 818 HD11 LEU 110 1HD1 LEU 110 20.286 -2.668 -4.395 819 HD12 LEU 110 2HD1 LEU 110 21.303 -1.393 -3.724 820 HD13 LEU 110 3HD1 LEU 110 19.822 -1.869 -2.892 821 HD21 LEU 110 1HD2 LEU 110 23.210 -4.135 -3.500 822 HD22 LEU 110 2HD2 LEU 110 21.879 -3.998 -4.649 823 HD23 LEU 110 3HD2 LEU 110 21.839 -5.240 -3.397 824 H TYR 111 H TYR 111 25.111 -3.015 -1.650 825 HA TYR 111 HA TYR 111 26.240 -1.495 0.580 826 HB2 TYR 111 1HB TYR 111 27.252 -4.103 -0.472 827 HB3 TYR 111 2HB TYR 111 28.418 -2.900 0.066 828 HD1 TYR 111 2HD TYR 111 25.376 -4.730 1.199 829 HD2 TYR 111 1HD TYR 111 28.973 -2.755 2.322 830 HE1 TYR 111 2HE TYR 111 25.041 -5.456 3.525 831 HE2 TYR 111 1HE TYR 111 28.649 -3.476 4.651 832 HH TYR 111 HH TYR 111 25.918 -5.546 5.570 833 H GLU 112 H GLU 112 27.249 0.268 -0.117 834 HA GLU 112 HA GLU 112 28.440 0.269 -2.800 835 HB2 GLU 112 1HB GLU 112 26.307 2.064 -1.751 836 HB3 GLU 112 2HB GLU 112 27.542 2.774 -2.782 837 HG2 GLU 112 1HG GLU 112 25.616 0.573 -3.458 838 HG3 GLU 112 2HG GLU 112 25.729 2.179 -4.175 839 H SER 113 H SER 113 29.532 2.639 -3.021 840 HA SER 113 HA SER 113 30.905 3.309 -0.527 841 HB2 SER 113 1HB SER 113 33.089 3.037 -1.417 842 HB3 SER 113 2HB SER 113 32.223 1.562 -1.847 843 HG SER 113 HG SER 113 33.510 3.031 -3.489 844 H ALA 114 H ALA 114 31.472 5.425 -0.351 845 HA ALA 114 HA ALA 114 31.486 7.146 -2.690 846 HB1 ALA 114 1HB ALA 114 29.090 6.950 -1.851 847 HB2 ALA 114 2HB ALA 114 29.630 7.857 -0.439 848 HB3 ALA 114 3HB ALA 114 29.741 8.577 -2.045 849 H VAL 115 H VAL 115 33.359 8.170 -2.440 850 HA VAL 115 HA VAL 115 34.211 8.965 0.255 851 HB VAL 115 HB VAL 115 35.807 8.825 -2.308 852 HG11 VAL 115 1HG1 VAL 115 36.520 10.573 -0.648 853 HG12 VAL 115 2HG1 VAL 115 36.835 9.261 0.489 854 HG13 VAL 115 3HG1 VAL 115 37.736 9.354 -1.025 855 HG21 VAL 115 1HG2 VAL 115 36.252 7.091 0.085 856 HG22 VAL 115 2HG2 VAL 115 34.993 6.675 -1.078 857 HG23 VAL 115 3HG2 VAL 115 36.672 6.802 -1.604 858 H THR 116 H THR 116 33.314 10.904 0.697 859 HA THR 116 HA THR 116 32.623 12.927 -1.039 860 HB THR 116 HB THR 116 32.871 14.487 0.910 861 HG1 THR 116 1HG THR 116 34.098 12.180 1.977 862 HG21 THR 116 1HG2 THR 116 30.758 13.637 0.945 863 HG22 THR 116 2HG2 THR 116 31.353 12.897 2.432 864 HG23 THR 116 3HG2 THR 116 31.314 11.964 0.936 865 H ARG 117 H ARG 117 33.682 14.419 -2.189 866 HA ARG 117 HA ARG 117 36.424 14.309 -2.635 867 HB2 ARG 117 1HB ARG 117 34.403 16.486 -3.149 868 HB3 ARG 117 2HB ARG 117 36.084 16.628 -3.647 869 HG2 ARG 117 1HG ARG 117 35.886 14.766 -5.118 870 HG3 ARG 117 2HG ARG 117 34.287 14.368 -4.486 871 HD2 ARG 117 1HD ARG 117 33.473 16.559 -5.324 872 HD3 ARG 117 2HD ARG 117 35.055 16.825 -6.056 873 HE ARG 117 HE ARG 117 32.963 15.096 -7.017 874 HH11 ARG 117 2HH1 ARG 117 36.376 15.778 -7.059 875 HH12 ARG 117 1HH1 ARG 117 36.648 14.991 -8.578 876 HH21 ARG 117 2HH2 ARG 117 33.307 14.058 -9.018 877 HH22 ARG 117 1HH2 ARG 117 34.901 14.014 -9.692 878 HA PRO 118 HA PRO 118 38.327 16.530 0.639 879 HB2 PRO 118 1HB PRO 118 40.423 17.670 -0.657 880 HB3 PRO 118 2HB PRO 118 40.341 15.942 -0.297 881 HG2 PRO 118 1HG PRO 118 39.722 17.376 -2.851 882 HG3 PRO 118 2HG PRO 118 40.614 15.863 -2.605 883 HD2 PRO 118 1HD PRO 118 38.026 15.917 -3.402 884 HD3 PRO 118 2HD PRO 118 38.687 14.616 -2.391 885 H HIS 119 H HIS 119 36.980 18.155 1.310 886 HA HIS 119 HA HIS 119 35.928 20.296 0.118 887 HB2 HIS 119 1HB HIS 119 35.993 19.652 2.640 888 HB3 HIS 119 2HB HIS 119 37.351 20.770 2.720 889 HD1 HIS 119 1HD HIS 119 36.635 23.229 1.482 890 HD2 HIS 119 2HD HIS 119 33.683 20.895 3.241 891 HE1 HIS 119 1HE HIS 119 34.715 24.792 1.920 892 HE2 HIS 119 2HE HIS 119 32.973 23.376 3.062 893 H THR 120 H THR 120 36.839 21.483 -1.441 894 HA THR 120 HA THR 120 39.607 22.281 -1.335 895 HB THR 120 HB THR 120 38.758 21.771 -3.507 896 HG1 THR 120 1HG THR 120 38.989 24.601 -3.224 897 HG21 THR 120 1HG2 THR 120 36.913 23.126 -4.516 898 HG22 THR 120 2HG2 THR 120 36.615 23.812 -2.918 899 HG23 THR 120 3HG2 THR 120 36.401 22.083 -3.190 900 H SER 121 H SER 121 40.425 24.320 -1.017 901 HA SER 121 HA SER 121 38.641 26.183 0.355 902 HB2 SER 121 1HB SER 121 41.657 26.042 0.168 903 HB3 SER 121 2HB SER 121 40.784 27.319 1.015 904 HG SER 121 HG SER 121 39.838 25.638 2.310 905 H GLY 122 H GLY 122 41.015 26.142 -2.287 906 HA2 GLY 122 1HA GLY 122 41.254 27.498 -4.124 907 HA3 GLY 122 2HA GLY 122 39.559 27.911 -3.914 908 HA PRO 123 HA PRO 123 42.001 31.128 -1.261 909 HB2 PRO 123 1HB PRO 123 44.709 31.067 -1.439 910 HB3 PRO 123 2HB PRO 123 43.804 30.145 -0.233 911 HG2 PRO 123 1HG PRO 123 44.960 29.233 -2.839 912 HG3 PRO 123 2HG PRO 123 44.980 28.423 -1.262 913 HD2 PRO 123 1HD PRO 123 43.239 27.750 -3.223 914 HD3 PRO 123 2HD PRO 123 42.829 27.631 -1.500 915 H SER 124 H SER 124 41.212 32.599 -2.744 916 HA SER 124 HA SER 124 43.109 34.035 -4.282 917 HB2 SER 124 1HB SER 124 42.710 32.056 -5.783 918 HB3 SER 124 2HB SER 124 41.027 32.567 -5.915 919 HG SER 124 HG SER 124 41.784 34.543 -6.791 920 H SER 125 H SER 125 42.324 36.028 -4.971 921 HA SER 125 HA SER 125 39.530 36.658 -4.929 922 HB2 SER 125 1HB SER 125 41.299 37.579 -2.662 923 HB3 SER 125 2HB SER 125 39.797 38.398 -3.089 924 HG SER 125 HG SER 125 40.173 36.094 -1.707 925 H GLY 126 H GLY 126 39.268 38.114 -6.480 926 HA2 GLY 126 1HA GLY 126 41.103 40.362 -6.707 927 HA3 GLY 126 2HA GLY 126 41.054 39.274 -8.086 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -43.180 25.167 -26.083 2 HA2 GLY 1 1HA GLY 1 -42.322 23.428 -28.270 3 HA3 GLY 1 2HA GLY 1 -41.109 24.497 -27.580 4 H SER 2 H SER 2 -40.317 22.085 -27.367 5 HA SER 2 HA SER 2 -40.702 21.405 -24.557 6 HB2 SER 2 1HB SER 2 -41.242 19.532 -26.857 7 HB3 SER 2 2HB SER 2 -40.810 18.932 -25.256 8 HG SER 2 HG SER 2 -43.189 19.671 -26.104 9 H SER 3 H SER 3 -38.942 20.392 -23.608 10 HA SER 3 HA SER 3 -36.714 19.454 -25.149 11 HB2 SER 3 1HB SER 3 -36.601 22.057 -25.112 12 HB3 SER 3 2HB SER 3 -36.091 21.844 -23.438 13 HG SER 3 HG SER 3 -34.217 21.755 -24.488 14 H GLY 4 H GLY 4 -34.801 18.974 -23.641 15 HA2 GLY 4 1HA GLY 4 -35.916 17.724 -21.243 16 HA3 GLY 4 2HA GLY 4 -34.367 17.349 -21.984 17 H SER 5 H SER 5 -35.019 17.938 -19.184 18 HA SER 5 HA SER 5 -32.842 19.707 -18.647 19 HB2 SER 5 1HB SER 5 -35.651 20.696 -18.384 20 HB3 SER 5 2HB SER 5 -34.465 21.196 -17.179 21 HG SER 5 HG SER 5 -34.291 21.552 -19.990 22 H SER 6 H SER 6 -32.416 19.915 -16.325 23 HA SER 6 HA SER 6 -32.279 19.123 -14.189 24 HB2 SER 6 1HB SER 6 -34.899 19.207 -14.490 25 HB3 SER 6 2HB SER 6 -34.742 17.451 -14.509 26 HG SER 6 HG SER 6 -34.102 19.267 -12.450 27 H GLY 7 H GLY 7 -30.897 17.852 -16.232 28 HA2 GLY 7 1HA GLY 7 -31.176 14.980 -15.681 29 HA3 GLY 7 2HA GLY 7 -30.264 15.687 -17.006 30 HA PRO 8 HA PRO 8 -27.751 15.193 -12.871 31 HB2 PRO 8 1HB PRO 8 -27.477 12.514 -12.522 32 HB3 PRO 8 2HB PRO 8 -28.762 13.457 -11.757 33 HG2 PRO 8 1HG PRO 8 -28.867 11.762 -14.222 34 HG3 PRO 8 2HG PRO 8 -30.038 11.881 -12.896 35 HD2 PRO 8 1HD PRO 8 -30.382 13.152 -15.262 36 HD3 PRO 8 2HD PRO 8 -30.969 13.819 -13.725 37 H ALA 9 H ALA 9 -25.660 15.440 -13.328 38 HA ALA 9 HA ALA 9 -24.369 13.605 -15.215 39 HB1 ALA 9 1HB ALA 9 -24.796 16.485 -15.600 40 HB2 ALA 9 2HB ALA 9 -23.147 15.929 -15.892 41 HB3 ALA 9 3HB ALA 9 -24.490 15.211 -16.782 42 H THR 10 H THR 10 -22.952 12.644 -13.886 43 HA THR 10 HA THR 10 -21.432 14.285 -11.989 44 HB THR 10 HB THR 10 -21.515 11.269 -12.164 45 HG1 THR 10 1HG THR 10 -23.562 11.884 -11.594 46 HG21 THR 10 1HG2 THR 10 -20.176 13.233 -10.412 47 HG22 THR 10 2HG2 THR 10 -19.710 11.585 -10.834 48 HG23 THR 10 3HG2 THR 10 -20.937 11.866 -9.599 49 H ASP 11 H ASP 11 -19.817 15.197 -13.189 50 HA ASP 11 HA ASP 11 -18.348 13.855 -15.198 51 HB2 ASP 11 1HB ASP 11 -18.376 16.242 -15.232 52 HB3 ASP 11 2HB ASP 11 -17.773 16.338 -13.580 53 H TRP 12 H TRP 12 -16.992 12.223 -14.926 54 HA TRP 12 HA TRP 12 -16.005 11.379 -12.428 55 HB2 TRP 12 1HB TRP 12 -14.909 10.682 -15.161 56 HB3 TRP 12 2HB TRP 12 -14.699 9.758 -13.675 57 HD1 TRP 12 HD TRP 12 -16.872 9.974 -16.655 58 HE1 TRP 12 1HE TRP 12 -18.947 8.479 -16.371 59 HE3 TRP 12 3HE TRP 12 -16.491 9.000 -11.651 60 HZ2 TRP 12 2HZ TRP 12 -20.251 7.073 -14.299 61 HZ3 TRP 12 3HZ TRP 12 -18.193 7.571 -10.594 62 HH2 TRP 12 HH TRP 12 -20.034 6.629 -11.893 63 H LEU 13 H LEU 13 -13.633 11.058 -11.969 64 HA LEU 13 HA LEU 13 -12.132 13.484 -12.709 65 HB2 LEU 13 1HB LEU 13 -11.094 13.432 -10.526 66 HB3 LEU 13 2HB LEU 13 -12.849 13.496 -10.372 67 HG LEU 13 HG LEU 13 -11.515 10.837 -10.233 68 HD11 LEU 13 1HD1 LEU 13 -11.173 13.041 -8.281 69 HD12 LEU 13 2HD1 LEU 13 -10.104 11.695 -8.676 70 HD13 LEU 13 3HD1 LEU 13 -11.509 11.430 -7.644 71 HD21 LEU 13 1HD2 LEU 13 -13.382 10.228 -9.017 72 HD22 LEU 13 2HD2 LEU 13 -14.049 11.404 -10.149 73 HD23 LEU 13 3HD2 LEU 13 -13.706 11.878 -8.484 74 H SER 14 H SER 14 -9.950 13.294 -13.159 75 HA SER 14 HA SER 14 -9.104 10.828 -14.268 76 HB2 SER 14 1HB SER 14 -8.302 12.907 -15.210 77 HB3 SER 14 2HB SER 14 -7.572 13.369 -13.673 78 HG SER 14 HG SER 14 -6.037 12.495 -15.133 79 H ALA 15 H ALA 15 -7.969 9.192 -13.426 80 HA ALA 15 HA ALA 15 -6.136 9.437 -11.283 81 HB1 ALA 15 1HB ALA 15 -7.747 9.600 -9.678 82 HB2 ALA 15 2HB ALA 15 -8.933 8.691 -10.616 83 HB3 ALA 15 3HB ALA 15 -7.626 7.844 -9.789 84 H GLU 16 H GLU 16 -4.688 7.904 -11.670 85 HA GLU 16 HA GLU 16 -5.027 5.853 -13.534 86 HB2 GLU 16 1HB GLU 16 -2.824 6.668 -12.964 87 HB3 GLU 16 2HB GLU 16 -3.014 6.136 -11.299 88 HG2 GLU 16 1HG GLU 16 -2.702 3.923 -11.823 89 HG3 GLU 16 2HG GLU 16 -3.210 4.136 -13.497 90 H THR 17 H THR 17 -5.890 3.883 -13.435 91 HA THR 17 HA THR 17 -6.670 2.847 -10.791 92 HB THR 17 HB THR 17 -8.328 1.452 -12.100 93 HG1 THR 17 1HG THR 17 -7.634 1.573 -14.179 94 HG21 THR 17 1HG2 THR 17 -8.920 3.533 -10.867 95 HG22 THR 17 2HG2 THR 17 -9.952 3.227 -12.264 96 HG23 THR 17 3HG2 THR 17 -8.675 4.439 -12.359 97 H PHE 18 H PHE 18 -4.760 1.740 -10.338 98 HA PHE 18 HA PHE 18 -3.580 -0.094 -12.183 99 HB2 PHE 18 1HB PHE 18 -2.568 1.147 -10.077 100 HB3 PHE 18 2HB PHE 18 -3.102 -0.308 -9.242 101 HD1 PHE 18 2HD PHE 18 -1.351 0.530 -12.434 102 HD2 PHE 18 1HD PHE 18 -1.495 -1.904 -8.945 103 HE1 PHE 18 2HE PHE 18 0.691 -0.632 -13.164 104 HE2 PHE 18 1HE PHE 18 0.547 -3.069 -9.669 105 HZ PHE 18 HZ PHE 18 1.642 -2.435 -11.782 106 H GLU 19 H GLU 19 -3.218 -2.433 -11.497 107 HA GLU 19 HA GLU 19 -5.740 -3.726 -11.371 108 HB2 GLU 19 1HB GLU 19 -3.408 -4.485 -12.375 109 HB3 GLU 19 2HB GLU 19 -3.222 -5.217 -10.788 110 HG2 GLU 19 1HG GLU 19 -5.254 -5.815 -12.901 111 HG3 GLU 19 2HG GLU 19 -4.113 -6.907 -12.120 112 H SER 20 H SER 20 -6.825 -4.620 -9.710 113 HA SER 20 HA SER 20 -5.957 -3.980 -7.031 114 HB2 SER 20 1HB SER 20 -8.439 -5.447 -7.955 115 HB3 SER 20 2HB SER 20 -8.154 -4.800 -6.340 116 HG SER 20 HG SER 20 -7.754 -2.802 -7.963 117 H ASP 21 H ASP 21 -4.056 -5.573 -7.730 118 HA ASP 21 HA ASP 21 -4.220 -7.778 -5.984 119 HB2 ASP 21 1HB ASP 21 -5.587 -8.611 -7.961 120 HB3 ASP 21 2HB ASP 21 -4.088 -8.600 -8.885 121 H LEU 22 H LEU 22 -2.242 -7.616 -5.168 122 HA LEU 22 HA LEU 22 0.041 -7.680 -7.004 123 HB2 LEU 22 1HB LEU 22 -0.597 -5.603 -4.987 124 HB3 LEU 22 2HB LEU 22 1.086 -6.105 -5.127 125 HG LEU 22 HG LEU 22 0.760 -5.599 -7.654 126 HD11 LEU 22 1HD1 LEU 22 -0.985 -3.419 -7.193 127 HD12 LEU 22 2HD1 LEU 22 -1.792 -4.882 -6.630 128 HD13 LEU 22 3HD1 LEU 22 -1.199 -4.784 -8.288 129 HD21 LEU 22 1HD2 LEU 22 0.975 -3.025 -6.918 130 HD22 LEU 22 2HD2 LEU 22 2.286 -4.195 -6.762 131 HD23 LEU 22 3HD2 LEU 22 1.277 -3.809 -5.367 132 H ASP 23 H ASP 23 2.135 -7.986 -5.631 133 HA ASP 23 HA ASP 23 1.623 -10.265 -3.880 134 HB2 ASP 23 1HB ASP 23 3.310 -10.216 -5.859 135 HB3 ASP 23 2HB ASP 23 4.354 -9.352 -4.734 136 H GLU 24 H GLU 24 1.143 -9.533 -1.873 137 HA GLU 24 HA GLU 24 3.170 -7.842 -0.565 138 HB2 GLU 24 1HB GLU 24 0.854 -6.789 -1.055 139 HB3 GLU 24 2HB GLU 24 0.278 -7.817 0.249 140 HG2 GLU 24 1HG GLU 24 2.057 -6.780 1.698 141 HG3 GLU 24 2HG GLU 24 2.314 -5.616 0.399 142 H THR 25 H THR 25 2.990 -10.741 -0.687 143 HA THR 25 HA THR 25 2.301 -11.413 2.091 144 HB THR 25 HB THR 25 2.444 -13.784 1.350 145 HG1 THR 25 1HG THR 25 3.770 -12.930 -0.628 146 HG21 THR 25 1HG2 THR 25 0.243 -13.499 1.131 147 HG22 THR 25 2HG2 THR 25 0.509 -13.143 -0.575 148 HG23 THR 25 3HG2 THR 25 0.464 -11.832 0.604 149 H ARG 26 H ARG 26 4.932 -10.850 0.017 150 HA ARG 26 HA ARG 26 6.769 -11.939 2.039 151 HB2 ARG 26 1HB ARG 26 8.306 -12.657 0.296 152 HB3 ARG 26 2HB ARG 26 6.742 -13.432 0.080 153 HG2 ARG 26 1HG ARG 26 7.142 -12.831 -2.067 154 HG3 ARG 26 2HG ARG 26 6.352 -11.353 -1.515 155 HD2 ARG 26 1HD ARG 26 8.294 -10.152 -1.511 156 HD3 ARG 26 2HD ARG 26 9.293 -11.564 -1.171 157 HE ARG 26 HE ARG 26 8.525 -10.559 -3.758 158 HH11 ARG 26 2HH1 ARG 26 9.619 -13.328 -1.954 159 HH12 ARG 26 1HH1 ARG 26 10.302 -14.121 -3.334 160 HH21 ARG 26 2HH2 ARG 26 9.420 -11.594 -5.584 161 HH22 ARG 26 1HH2 ARG 26 10.189 -13.134 -5.398 162 H VAL 27 H VAL 27 8.858 -10.885 2.114 163 HA VAL 27 HA VAL 27 8.638 -8.054 1.907 164 HB VAL 27 HB VAL 27 10.904 -7.962 2.750 165 HG11 VAL 27 1HG1 VAL 27 10.047 -10.239 4.361 166 HG12 VAL 27 2HG1 VAL 27 10.277 -8.550 4.815 167 HG13 VAL 27 3HG1 VAL 27 8.766 -9.064 4.065 168 HG21 VAL 27 1HG2 VAL 27 12.196 -9.524 1.687 169 HG22 VAL 27 2HG2 VAL 27 11.939 -10.340 3.229 170 HG23 VAL 27 3HG2 VAL 27 10.975 -10.790 1.823 171 HA PRO 28 HA PRO 28 10.161 -7.325 -2.152 172 HB2 PRO 28 1HB PRO 28 11.259 -4.866 -1.807 173 HB3 PRO 28 2HB PRO 28 9.514 -5.141 -1.852 174 HG2 PRO 28 1HG PRO 28 11.317 -4.795 0.513 175 HG3 PRO 28 2HG PRO 28 9.708 -4.107 0.222 176 HD2 PRO 28 1HD PRO 28 10.104 -6.266 1.807 177 HD3 PRO 28 2HD PRO 28 8.628 -6.045 0.845 178 H GLU 29 H GLU 29 11.795 -8.817 -2.482 179 HA GLU 29 HA GLU 29 14.261 -8.965 -1.259 180 HB2 GLU 29 1HB GLU 29 15.039 -10.151 -3.261 181 HB3 GLU 29 2HB GLU 29 13.433 -10.683 -2.782 182 HG2 GLU 29 1HG GLU 29 13.924 -8.640 -4.929 183 HG3 GLU 29 2HG GLU 29 13.782 -10.369 -5.241 184 H VAL 30 H VAL 30 16.411 -8.420 -2.134 185 HA VAL 30 HA VAL 30 17.040 -5.837 -2.238 186 HB VAL 30 HB VAL 30 18.779 -7.499 -2.327 187 HG11 VAL 30 1HG1 VAL 30 19.315 -8.562 -4.575 188 HG12 VAL 30 2HG1 VAL 30 17.906 -9.187 -3.716 189 HG13 VAL 30 3HG1 VAL 30 17.694 -8.075 -5.070 190 HG21 VAL 30 1HG2 VAL 30 20.118 -6.523 -4.348 191 HG22 VAL 30 2HG2 VAL 30 18.752 -5.414 -4.463 192 HG23 VAL 30 3HG2 VAL 30 19.702 -5.491 -2.980 193 HA PRO 31 HA PRO 31 15.150 -3.990 -5.770 194 HB2 PRO 31 1HB PRO 31 16.651 -1.731 -5.879 195 HB3 PRO 31 2HB PRO 31 15.398 -1.993 -4.661 196 HG2 PRO 31 1HG PRO 31 18.363 -2.338 -4.434 197 HG3 PRO 31 2HG PRO 31 17.230 -1.607 -3.282 198 HD2 PRO 31 1HD PRO 31 18.168 -4.132 -3.001 199 HD3 PRO 31 2HD PRO 31 16.545 -3.651 -2.467 200 H SER 32 H SER 32 15.931 -2.809 -7.841 201 HA SER 32 HA SER 32 17.404 -4.606 -9.387 202 HB2 SER 32 1HB SER 32 15.834 -3.071 -10.416 203 HB3 SER 32 2HB SER 32 16.786 -1.685 -9.885 204 HG SER 32 HG SER 32 18.111 -3.597 -11.402 205 H SER 33 H SER 33 18.381 -1.547 -7.888 206 HA SER 33 HA SER 33 21.041 -2.363 -7.476 207 HB2 SER 33 1HB SER 33 22.251 -1.114 -9.119 208 HB3 SER 33 2HB SER 33 21.050 -2.065 -9.991 209 HG SER 33 HG SER 33 20.334 -0.254 -10.748 210 H LEU 34 H LEU 34 22.473 -0.281 -7.070 211 HA LEU 34 HA LEU 34 20.856 1.887 -5.960 212 HB2 LEU 34 1HB LEU 34 21.023 0.838 -3.962 213 HB3 LEU 34 2HB LEU 34 22.462 -0.064 -4.435 214 HG LEU 34 HG LEU 34 23.760 2.080 -4.126 215 HD11 LEU 34 1HD1 LEU 34 22.046 3.299 -2.241 216 HD12 LEU 34 2HD1 LEU 34 21.130 3.098 -3.734 217 HD13 LEU 34 3HD1 LEU 34 22.664 3.967 -3.752 218 HD21 LEU 34 1HD2 LEU 34 23.208 0.094 -2.403 219 HD22 LEU 34 2HD2 LEU 34 22.570 1.466 -1.496 220 HD23 LEU 34 3HD2 LEU 34 24.257 1.458 -2.012 221 H HIS 35 H HIS 35 21.727 3.818 -6.357 222 HA HIS 35 HA HIS 35 24.577 3.926 -7.102 223 HB2 HIS 35 1HB HIS 35 23.626 4.521 -9.096 224 HB3 HIS 35 2HB HIS 35 22.160 5.135 -8.338 225 HD1 HIS 35 1HD HIS 35 24.690 6.376 -10.320 226 HD2 HIS 35 2HD HIS 35 23.141 7.627 -6.674 227 HE1 HIS 35 1HE HIS 35 25.309 8.805 -10.125 228 HE2 HIS 35 2HE HIS 35 24.435 9.519 -7.873 229 H VAL 36 H VAL 36 25.818 5.625 -6.343 230 HA VAL 36 HA VAL 36 24.564 7.589 -4.580 231 HB VAL 36 HB VAL 36 26.330 7.194 -2.845 232 HG11 VAL 36 1HG1 VAL 36 25.010 5.726 -1.682 233 HG12 VAL 36 2HG1 VAL 36 23.893 6.208 -2.959 234 HG13 VAL 36 3HG1 VAL 36 24.759 4.676 -3.075 235 HG21 VAL 36 1HG2 VAL 36 27.946 5.690 -3.122 236 HG22 VAL 36 2HG2 VAL 36 26.784 4.425 -3.520 237 HG23 VAL 36 3HG2 VAL 36 27.391 5.495 -4.784 238 H ARG 37 H ARG 37 25.521 9.547 -4.648 239 HA ARG 37 HA ARG 37 28.064 9.752 -6.125 240 HB2 ARG 37 1HB ARG 37 25.895 10.673 -7.187 241 HB3 ARG 37 2HB ARG 37 26.025 11.956 -5.992 242 HG2 ARG 37 1HG ARG 37 28.437 12.217 -6.914 243 HG3 ARG 37 2HG ARG 37 27.800 11.344 -8.310 244 HD2 ARG 37 1HD ARG 37 26.670 13.892 -7.157 245 HD3 ARG 37 2HD ARG 37 27.662 13.773 -8.610 246 HE ARG 37 HE ARG 37 25.252 12.179 -8.641 247 HH11 ARG 37 2HH1 ARG 37 26.727 15.234 -9.421 248 HH12 ARG 37 1HH1 ARG 37 25.549 15.644 -10.623 249 HH21 ARG 37 2HH2 ARG 37 23.695 12.707 -10.221 250 HH22 ARG 37 1HH2 ARG 37 23.824 14.207 -11.077 251 HA PRO 38 HA PRO 38 29.373 11.348 -2.135 252 HB2 PRO 38 1HB PRO 38 32.011 11.417 -2.770 253 HB3 PRO 38 2HB PRO 38 31.174 9.931 -2.304 254 HG2 PRO 38 1HG PRO 38 31.873 10.934 -5.036 255 HG3 PRO 38 2HG PRO 38 32.008 9.292 -4.378 256 HD2 PRO 38 1HD PRO 38 29.963 10.056 -5.980 257 HD3 PRO 38 2HD PRO 38 29.769 8.846 -4.696 258 H LEU 39 H LEU 39 29.220 13.432 -1.625 259 HA LEU 39 HA LEU 39 30.313 15.427 -3.499 260 HB2 LEU 39 1HB LEU 39 27.774 15.326 -1.967 261 HB3 LEU 39 2HB LEU 39 28.552 16.897 -2.152 262 HG LEU 39 HG LEU 39 28.560 16.253 -4.693 263 HD11 LEU 39 1HD1 LEU 39 27.772 13.995 -4.476 264 HD12 LEU 39 2HD1 LEU 39 26.531 14.956 -5.280 265 HD13 LEU 39 3HD1 LEU 39 26.352 14.532 -3.578 266 HD21 LEU 39 1HD2 LEU 39 27.334 18.117 -3.539 267 HD22 LEU 39 2HD2 LEU 39 25.963 17.019 -3.375 268 HD23 LEU 39 3HD2 LEU 39 26.542 17.475 -4.978 269 H VAL 40 H VAL 40 31.207 17.349 -2.574 270 HA VAL 40 HA VAL 40 33.133 17.179 -0.767 271 HB VAL 40 HB VAL 40 31.264 19.547 -0.692 272 HG11 VAL 40 1HG1 VAL 40 33.198 20.814 -0.082 273 HG12 VAL 40 2HG1 VAL 40 33.102 19.419 0.995 274 HG13 VAL 40 3HG1 VAL 40 34.254 19.425 -0.342 275 HG21 VAL 40 1HG2 VAL 40 31.632 19.745 -2.885 276 HG22 VAL 40 2HG2 VAL 40 33.291 20.162 -2.457 277 HG23 VAL 40 3HG2 VAL 40 32.879 18.499 -2.873 278 H THR 41 H THR 41 30.062 18.563 0.386 279 HA THR 41 HA THR 41 30.507 17.170 2.947 280 HB THR 41 HB THR 41 29.069 19.075 3.906 281 HG1 THR 41 1HG THR 41 29.854 20.195 1.405 282 HG21 THR 41 1HG2 THR 41 31.270 19.105 4.619 283 HG22 THR 41 2HG2 THR 41 31.145 20.659 3.794 284 HG23 THR 41 3HG2 THR 41 31.906 19.290 2.985 285 H SER 42 H SER 42 28.963 16.363 0.506 286 HA SER 42 HA SER 42 26.526 15.620 1.914 287 HB2 SER 42 1HB SER 42 25.143 16.228 -0.118 288 HB3 SER 42 2HB SER 42 25.751 17.598 0.812 289 HG SER 42 HG SER 42 26.342 18.163 -1.163 290 H ILE 43 H ILE 43 25.161 14.190 0.264 291 HA ILE 43 HA ILE 43 26.781 12.646 -1.556 292 HB ILE 43 HB ILE 43 25.720 11.355 0.959 293 HG12 ILE 43 1HG1 ILE 43 28.544 11.699 -0.072 294 HG13 ILE 43 2HG1 ILE 43 27.833 12.561 1.289 295 HG21 ILE 43 1HG2 ILE 43 26.311 9.268 0.098 296 HG22 ILE 43 2HG2 ILE 43 25.518 10.077 -1.253 297 HG23 ILE 43 3HG2 ILE 43 27.278 9.973 -1.197 298 HD11 ILE 43 1HD1 ILE 43 29.338 10.342 1.515 299 HD12 ILE 43 2HD1 ILE 43 28.118 10.835 2.691 300 HD13 ILE 43 3HD1 ILE 43 27.725 9.632 1.462 301 H VAL 44 H VAL 44 25.387 12.746 -3.213 302 HA VAL 44 HA VAL 44 22.543 12.590 -2.860 303 HB VAL 44 HB VAL 44 24.208 12.513 -5.380 304 HG11 VAL 44 1HG1 VAL 44 21.280 13.145 -5.233 305 HG12 VAL 44 2HG1 VAL 44 22.254 12.720 -6.642 306 HG13 VAL 44 3HG1 VAL 44 21.855 11.492 -5.440 307 HG21 VAL 44 1HG2 VAL 44 22.821 14.730 -3.898 308 HG22 VAL 44 2HG2 VAL 44 24.518 14.619 -4.364 309 HG23 VAL 44 3HG2 VAL 44 23.280 14.869 -5.595 310 H VAL 45 H VAL 45 21.851 10.654 -2.103 311 HA VAL 45 HA VAL 45 22.850 8.182 -3.270 312 HB VAL 45 HB VAL 45 20.827 8.631 -1.071 313 HG11 VAL 45 1HG1 VAL 45 21.777 6.076 -0.800 314 HG12 VAL 45 2HG1 VAL 45 20.228 6.521 -1.519 315 HG13 VAL 45 3HG1 VAL 45 21.634 6.246 -2.549 316 HG21 VAL 45 1HG2 VAL 45 22.552 8.086 0.464 317 HG22 VAL 45 2HG2 VAL 45 23.649 7.609 -0.831 318 HG23 VAL 45 3HG2 VAL 45 23.215 9.306 -0.623 319 H SER 46 H SER 46 22.000 7.597 -5.159 320 HA SER 46 HA SER 46 19.106 7.969 -5.570 321 HB2 SER 46 1HB SER 46 19.463 8.418 -7.800 322 HB3 SER 46 2HB SER 46 20.971 9.041 -7.131 323 HG SER 46 HG SER 46 20.521 6.849 -8.738 324 H TRP 47 H TRP 47 17.962 6.170 -5.406 325 HA TRP 47 HA TRP 47 19.226 3.622 -6.180 326 HB2 TRP 47 1HB TRP 47 17.789 2.514 -4.532 327 HB3 TRP 47 2HB TRP 47 18.787 3.747 -3.767 328 HD1 TRP 47 HD TRP 47 15.169 2.859 -4.506 329 HE1 TRP 47 1HE TRP 47 13.629 4.489 -3.242 330 HE3 TRP 47 3HE TRP 47 18.682 6.197 -2.878 331 HZ2 TRP 47 2HZ TRP 47 13.872 6.875 -1.753 332 HZ3 TRP 47 3HZ TRP 47 17.945 8.127 -1.541 333 HH2 TRP 47 HH TRP 47 15.590 8.457 -0.991 334 H THR 48 H THR 48 17.462 1.907 -6.663 335 HA THR 48 HA THR 48 15.259 3.117 -8.190 336 HB THR 48 HB THR 48 15.633 1.403 -9.979 337 HG1 THR 48 1HG THR 48 18.283 1.116 -9.122 338 HG21 THR 48 1HG2 THR 48 17.478 3.654 -9.390 339 HG22 THR 48 2HG2 THR 48 16.370 3.422 -10.743 340 HG23 THR 48 3HG2 THR 48 17.914 2.571 -10.710 341 HA PRO 49 HA PRO 49 12.704 0.052 -6.354 342 HB2 PRO 49 1HB PRO 49 10.848 -0.307 -8.303 343 HB3 PRO 49 2HB PRO 49 10.921 1.148 -7.301 344 HG2 PRO 49 1HG PRO 49 11.954 0.704 -10.076 345 HG3 PRO 49 2HG PRO 49 11.085 2.102 -9.416 346 HD2 PRO 49 1HD PRO 49 13.772 2.082 -9.751 347 HD3 PRO 49 2HD PRO 49 12.980 2.977 -8.438 348 HA PRO 50 HA PRO 50 13.801 -3.990 -7.698 349 HB2 PRO 50 1HB PRO 50 11.620 -5.431 -6.965 350 HB3 PRO 50 2HB PRO 50 12.779 -4.783 -5.799 351 HG2 PRO 50 1HG PRO 50 10.114 -3.698 -6.622 352 HG3 PRO 50 2HG PRO 50 10.819 -3.820 -5.000 353 HD2 PRO 50 1HD PRO 50 10.803 -1.510 -6.411 354 HD3 PRO 50 2HD PRO 50 12.106 -1.928 -5.280 355 H GLU 51 H GLU 51 13.902 -4.711 -9.723 356 HA GLU 51 HA GLU 51 12.490 -4.074 -11.890 357 HB2 GLU 51 1HB GLU 51 14.406 -5.889 -11.463 358 HB3 GLU 51 2HB GLU 51 13.050 -6.986 -11.679 359 HG2 GLU 51 1HG GLU 51 12.654 -5.429 -13.802 360 HG3 GLU 51 2HG GLU 51 14.396 -5.222 -13.630 361 H ASN 52 H ASN 52 11.449 -6.393 -9.463 362 HA ASN 52 HA ASN 52 9.024 -7.006 -10.954 363 HB2 ASN 52 1HB ASN 52 10.196 -8.831 -9.793 364 HB3 ASN 52 2HB ASN 52 9.971 -8.001 -8.257 365 HD21 ASN 52 1HD2 ASN 52 8.881 -10.476 -9.985 366 HD22 ASN 52 2HD2 ASN 52 7.236 -10.539 -9.459 367 H GLN 53 H GLN 53 8.061 -4.920 -10.893 368 HA GLN 53 HA GLN 53 7.557 -3.449 -8.563 369 HB2 GLN 53 1HB GLN 53 6.151 -3.559 -11.225 370 HB3 GLN 53 2HB GLN 53 5.652 -2.460 -9.946 371 HG2 GLN 53 1HG GLN 53 8.503 -2.472 -10.788 372 HG3 GLN 53 2HG GLN 53 7.308 -1.701 -11.830 373 HE21 GLN 53 1HE2 GLN 53 8.903 -1.621 -8.742 374 HE22 GLN 53 2HE2 GLN 53 8.427 -0.018 -8.310 375 H ASN 54 H ASN 54 5.786 -6.075 -10.088 376 HA ASN 54 HA ASN 54 3.334 -6.036 -8.989 377 HB2 ASN 54 1HB ASN 54 5.236 -8.344 -9.325 378 HB3 ASN 54 2HB ASN 54 3.609 -8.590 -8.696 379 HD21 ASN 54 1HD2 ASN 54 1.992 -7.131 -10.116 380 HD22 ASN 54 2HD2 ASN 54 2.091 -7.481 -11.805 381 H ILE 55 H ILE 55 6.322 -6.625 -7.266 382 HA ILE 55 HA ILE 55 5.067 -7.456 -4.828 383 HB ILE 55 HB ILE 55 7.881 -6.477 -5.326 384 HG12 ILE 55 1HG1 ILE 55 7.156 -9.324 -4.777 385 HG13 ILE 55 2HG1 ILE 55 6.883 -8.683 -6.394 386 HG21 ILE 55 1HG2 ILE 55 8.459 -7.110 -3.173 387 HG22 ILE 55 2HG2 ILE 55 6.877 -6.367 -2.943 388 HG23 ILE 55 3HG2 ILE 55 7.029 -8.123 -2.978 389 HD11 ILE 55 1HD1 ILE 55 9.003 -9.060 -6.873 390 HD12 ILE 55 2HD1 ILE 55 9.485 -7.918 -5.618 391 HD13 ILE 55 3HD1 ILE 55 9.293 -9.627 -5.228 392 H VAL 56 H VAL 56 4.343 -6.251 -3.184 393 HA VAL 56 HA VAL 56 4.015 -3.454 -3.474 394 HB VAL 56 HB VAL 56 3.654 -5.175 -1.017 395 HG11 VAL 56 1HG1 VAL 56 3.366 -2.303 -1.483 396 HG12 VAL 56 2HG1 VAL 56 1.937 -3.061 -0.777 397 HG13 VAL 56 3HG1 VAL 56 3.501 -3.199 0.029 398 HG21 VAL 56 1HG2 VAL 56 2.093 -6.034 -2.453 399 HG22 VAL 56 2HG2 VAL 56 1.171 -4.696 -1.768 400 HG23 VAL 56 3HG2 VAL 56 1.927 -4.526 -3.352 401 H VAL 57 H VAL 57 5.135 -1.760 -2.676 402 HA VAL 57 HA VAL 57 7.379 -2.299 -0.855 403 HB VAL 57 HB VAL 57 7.544 -0.547 -3.311 404 HG11 VAL 57 1HG1 VAL 57 8.829 0.342 -1.437 405 HG12 VAL 57 2HG1 VAL 57 9.631 -1.217 -1.238 406 HG13 VAL 57 3HG1 VAL 57 9.895 -0.268 -2.702 407 HG21 VAL 57 1HG2 VAL 57 7.672 -3.222 -3.339 408 HG22 VAL 57 2HG2 VAL 57 8.637 -2.203 -4.407 409 HG23 VAL 57 3HG2 VAL 57 9.349 -2.858 -2.933 410 H ARG 58 H ARG 58 6.636 -1.304 0.935 411 HA ARG 58 HA ARG 58 5.094 1.081 0.909 412 HB2 ARG 58 1HB ARG 58 6.664 -0.083 3.214 413 HB3 ARG 58 2HB ARG 58 5.319 1.045 3.318 414 HG2 ARG 58 1HG ARG 58 5.117 -1.752 2.227 415 HG3 ARG 58 2HG ARG 58 4.709 -1.282 3.878 416 HD2 ARG 58 1HD ARG 58 3.458 0.183 1.603 417 HD3 ARG 58 2HD ARG 58 2.864 -1.426 2.010 418 HE ARG 58 HE ARG 58 2.009 -0.592 3.995 419 HH11 ARG 58 2HH1 ARG 58 3.892 1.831 2.351 420 HH12 ARG 58 1HH1 ARG 58 3.327 3.132 3.346 421 HH21 ARG 58 2HH2 ARG 58 1.257 1.112 5.311 422 HH22 ARG 58 1HH2 ARG 58 1.829 2.722 5.030 423 H GLY 59 H GLY 59 8.524 0.388 1.264 424 HA2 GLY 59 1HA GLY 59 9.366 2.903 0.390 425 HA3 GLY 59 2HA GLY 59 9.337 2.944 2.147 426 H TYR 60 H TYR 60 11.698 3.384 1.584 427 HA TYR 60 HA TYR 60 13.129 0.815 1.639 428 HB2 TYR 60 1HB TYR 60 14.220 3.269 0.265 429 HB3 TYR 60 2HB TYR 60 14.838 1.622 0.195 430 HD1 TYR 60 2HD TYR 60 12.183 3.886 -0.976 431 HD2 TYR 60 1HD TYR 60 13.901 0.009 -1.314 432 HE1 TYR 60 2HE TYR 60 10.863 3.486 -3.012 433 HE2 TYR 60 1HE TYR 60 12.587 -0.402 -3.352 434 HH TYR 60 HH TYR 60 11.485 1.335 -5.212 435 H ALA 61 H ALA 61 15.195 0.880 2.722 436 HA ALA 61 HA ALA 61 15.388 3.078 4.678 437 HB1 ALA 61 1HB ALA 61 16.325 0.277 5.215 438 HB2 ALA 61 2HB ALA 61 16.004 1.575 6.367 439 HB3 ALA 61 3HB ALA 61 14.666 0.784 5.533 440 H ILE 62 H ILE 62 17.144 4.276 4.421 441 HA ILE 62 HA ILE 62 19.458 3.145 3.025 442 HB ILE 62 HB ILE 62 18.831 6.022 3.700 443 HG12 ILE 62 1HG1 ILE 62 18.822 4.705 0.985 444 HG13 ILE 62 2HG1 ILE 62 17.374 4.845 1.974 445 HG21 ILE 62 1HG2 ILE 62 20.978 4.963 1.874 446 HG22 ILE 62 2HG2 ILE 62 20.719 6.631 2.381 447 HG23 ILE 62 3HG2 ILE 62 21.261 5.429 3.551 448 HD11 ILE 62 1HD1 ILE 62 18.717 7.383 1.725 449 HD12 ILE 62 2HD1 ILE 62 18.336 6.690 0.148 450 HD13 ILE 62 3HD1 ILE 62 17.056 6.939 1.335 451 H GLY 63 H GLY 63 21.547 3.244 3.865 452 HA2 GLY 63 1HA GLY 63 21.786 4.060 6.685 453 HA3 GLY 63 2HA GLY 63 22.319 2.461 6.189 454 H TYR 64 H TYR 64 23.673 5.004 7.246 455 HA TYR 64 HA TYR 64 25.963 4.818 5.447 456 HB2 TYR 64 1HB TYR 64 26.223 7.193 5.215 457 HB3 TYR 64 2HB TYR 64 24.584 6.785 4.722 458 HD1 TYR 64 2HD TYR 64 26.622 8.327 7.377 459 HD2 TYR 64 1HD TYR 64 22.688 7.609 5.925 460 HE1 TYR 64 2HE TYR 64 25.739 9.976 8.973 461 HE2 TYR 64 1HE TYR 64 21.793 9.257 7.516 462 HH TYR 64 HH TYR 64 22.532 11.162 8.805 463 H GLY 65 H GLY 65 27.903 5.956 6.409 464 HA2 GLY 65 1HA GLY 65 28.304 6.898 8.890 465 HA3 GLY 65 2HA GLY 65 28.087 5.182 9.200 466 H ILE 66 H ILE 66 30.440 6.523 9.835 467 HA ILE 66 HA ILE 66 32.390 6.091 7.760 468 HB ILE 66 HB ILE 66 32.766 6.735 10.687 469 HG12 ILE 66 1HG1 ILE 66 31.637 8.545 9.583 470 HG13 ILE 66 2HG1 ILE 66 33.323 9.011 9.778 471 HG21 ILE 66 1HG2 ILE 66 34.946 6.431 10.414 472 HG22 ILE 66 2HG2 ILE 66 34.635 5.807 8.795 473 HG23 ILE 66 3HG2 ILE 66 34.954 7.525 9.030 474 HD11 ILE 66 1HD1 ILE 66 32.868 9.674 7.625 475 HD12 ILE 66 2HD1 ILE 66 33.585 8.083 7.372 476 HD13 ILE 66 3HD1 ILE 66 31.834 8.283 7.301 477 H GLY 67 H GLY 67 32.566 3.967 7.213 478 HA2 GLY 67 1HA GLY 67 33.887 2.004 7.584 479 HA3 GLY 67 2HA GLY 67 33.613 2.191 9.310 480 H SER 68 H SER 68 30.820 2.574 9.255 481 HA SER 68 HA SER 68 29.716 0.218 7.945 482 HB2 SER 68 1HB SER 68 29.999 0.538 10.915 483 HB3 SER 68 2HB SER 68 28.627 -0.352 10.256 484 HG SER 68 HG SER 68 30.526 -1.643 10.743 485 HA PRO 69 HA PRO 69 26.274 2.929 7.493 486 HB2 PRO 69 1HB PRO 69 24.374 1.085 6.891 487 HB3 PRO 69 2HB PRO 69 25.634 1.573 5.752 488 HG2 PRO 69 1HG PRO 69 25.505 -0.846 7.510 489 HG3 PRO 69 2HG PRO 69 26.012 -0.721 5.816 490 HD2 PRO 69 1HD PRO 69 27.782 -0.865 7.860 491 HD3 PRO 69 2HD PRO 69 28.115 0.043 6.371 492 H HIS 70 H HIS 70 25.823 -0.001 9.453 493 HA HIS 70 HA HIS 70 23.512 0.384 10.751 494 HB2 HIS 70 1HB HIS 70 26.120 -0.307 12.122 495 HB3 HIS 70 2HB HIS 70 24.510 -0.632 12.759 496 HD1 HIS 70 1HD HIS 70 23.567 -2.859 12.211 497 HD2 HIS 70 2HD HIS 70 26.606 -1.770 9.595 498 HE1 HIS 70 1HE HIS 70 23.936 -4.863 10.737 499 HE2 HIS 70 2HE HIS 70 25.837 -4.210 9.219 500 H ALA 71 H ALA 71 26.352 2.374 11.085 501 HA ALA 71 HA ALA 71 26.031 3.709 13.422 502 HB1 ALA 71 1HB ALA 71 27.843 4.458 12.246 503 HB2 ALA 71 2HB ALA 71 26.950 4.582 10.730 504 HB3 ALA 71 3HB ALA 71 26.730 5.801 11.985 505 H GLN 72 H GLN 72 24.521 4.805 10.376 506 HA GLN 72 HA GLN 72 22.267 5.825 11.963 507 HB2 GLN 72 1HB GLN 72 23.971 7.283 9.992 508 HB3 GLN 72 2HB GLN 72 22.259 7.677 10.075 509 HG2 GLN 72 1HG GLN 72 24.330 7.939 12.229 510 HG3 GLN 72 2HG GLN 72 23.361 9.207 11.479 511 HE21 GLN 72 1HE2 GLN 72 23.660 7.176 14.102 512 HE22 GLN 72 2HE2 GLN 72 22.073 7.351 14.760 513 H THR 73 H THR 73 20.261 5.968 10.838 514 HA THR 73 HA THR 73 20.122 4.663 8.225 515 HB THR 73 HB THR 73 18.442 3.747 10.566 516 HG1 THR 73 1HG THR 73 20.457 2.284 9.188 517 HG21 THR 73 1HG2 THR 73 18.315 1.862 8.548 518 HG22 THR 73 2HG2 THR 73 18.247 3.397 7.683 519 HG23 THR 73 3HG2 THR 73 17.068 3.043 8.945 520 H ILE 74 H ILE 74 18.595 5.508 6.925 521 HA ILE 74 HA ILE 74 16.619 7.326 8.139 522 HB ILE 74 HB ILE 74 18.019 7.684 5.486 523 HG12 ILE 74 1HG1 ILE 74 18.187 9.442 7.935 524 HG13 ILE 74 2HG1 ILE 74 19.345 8.158 7.604 525 HG21 ILE 74 1HG2 ILE 74 15.956 9.390 6.873 526 HG22 ILE 74 2HG2 ILE 74 16.837 9.844 5.416 527 HG23 ILE 74 3HG2 ILE 74 15.732 8.471 5.385 528 HD11 ILE 74 1HD1 ILE 74 18.830 10.197 5.504 529 HD12 ILE 74 2HD1 ILE 74 19.826 10.625 6.895 530 HD13 ILE 74 3HD1 ILE 74 20.294 9.280 5.856 531 H LYS 75 H LYS 75 14.549 7.000 7.609 532 HA LYS 75 HA LYS 75 13.971 5.140 5.397 533 HB2 LYS 75 1HB LYS 75 12.628 5.473 8.075 534 HB3 LYS 75 2HB LYS 75 11.851 4.640 6.734 535 HG2 LYS 75 1HG LYS 75 13.623 2.999 6.677 536 HG3 LYS 75 2HG LYS 75 14.499 3.865 7.942 537 HD2 LYS 75 1HD LYS 75 12.489 3.516 9.419 538 HD3 LYS 75 2HD LYS 75 11.854 2.439 8.172 539 HE2 LYS 75 1HE LYS 75 14.625 1.981 9.147 540 HE3 LYS 75 2HE LYS 75 13.289 1.536 10.208 541 HZ1 LYS 75 1HZ LYS 75 12.414 0.382 8.063 542 HZ2 LYS 75 2HZ LYS 75 13.582 -0.380 9.020 543 HZ3 LYS 75 3HZ LYS 75 14.041 0.418 7.600 544 H VAL 76 H VAL 76 13.135 6.197 3.728 545 HA VAL 76 HA VAL 76 11.269 8.417 4.263 546 HB VAL 76 HB VAL 76 11.903 9.366 2.094 547 HG11 VAL 76 1HG1 VAL 76 14.262 9.990 2.691 548 HG12 VAL 76 2HG1 VAL 76 13.076 10.226 3.977 549 HG13 VAL 76 3HG1 VAL 76 14.158 8.833 4.018 550 HG21 VAL 76 1HG2 VAL 76 13.136 8.305 0.558 551 HG22 VAL 76 2HG2 VAL 76 14.317 7.761 1.750 552 HG23 VAL 76 3HG2 VAL 76 12.827 6.850 1.506 553 H ASP 77 H ASP 77 9.821 8.808 2.248 554 HA ASP 77 HA ASP 77 8.212 6.497 1.913 555 HB2 ASP 77 1HB ASP 77 8.097 9.059 0.311 556 HB3 ASP 77 2HB ASP 77 6.801 7.885 0.527 557 H TYR 78 H TYR 78 7.749 5.319 0.021 558 HA TYR 78 HA TYR 78 9.928 4.485 -1.477 559 HB2 TYR 78 1HB TYR 78 8.294 3.366 -2.941 560 HB3 TYR 78 2HB TYR 78 7.902 3.142 -1.240 561 HD1 TYR 78 2HD TYR 78 5.985 4.336 -0.243 562 HD2 TYR 78 1HD TYR 78 6.831 4.573 -4.406 563 HE1 TYR 78 2HE TYR 78 3.718 5.198 -0.649 564 HE2 TYR 78 1HE TYR 78 4.566 5.436 -4.823 565 HH TYR 78 HH TYR 78 2.701 6.781 -2.751 566 H LYS 79 H LYS 79 7.329 6.723 -2.414 567 HA LYS 79 HA LYS 79 7.841 7.283 -4.988 568 HB2 LYS 79 1HB LYS 79 7.306 9.260 -2.770 569 HB3 LYS 79 2HB LYS 79 7.274 9.693 -4.474 570 HG2 LYS 79 1HG LYS 79 5.537 7.868 -4.757 571 HG3 LYS 79 2HG LYS 79 5.444 7.829 -2.995 572 HD2 LYS 79 1HD LYS 79 4.579 9.985 -2.869 573 HD3 LYS 79 2HD LYS 79 5.165 10.418 -4.476 574 HE2 LYS 79 1HE LYS 79 3.537 8.587 -5.302 575 HE3 LYS 79 2HE LYS 79 2.794 8.754 -3.712 576 HZ1 LYS 79 1HZ LYS 79 1.771 10.587 -4.372 577 HZ2 LYS 79 2HZ LYS 79 2.348 10.325 -5.940 578 HZ3 LYS 79 3HZ LYS 79 3.222 11.300 -4.869 579 H GLN 80 H GLN 80 9.731 8.522 -2.257 580 HA GLN 80 HA GLN 80 11.449 10.214 -3.621 581 HB2 GLN 80 1HB GLN 80 11.817 8.532 -1.155 582 HB3 GLN 80 2HB GLN 80 13.111 9.556 -1.764 583 HG2 GLN 80 1HG GLN 80 10.439 10.361 -0.679 584 HG3 GLN 80 2HG GLN 80 12.045 10.830 -0.125 585 HE21 GLN 80 1HE2 GLN 80 9.624 11.279 -2.601 586 HE22 GLN 80 2HE2 GLN 80 10.236 12.777 -3.203 587 H ARG 81 H ARG 81 12.752 9.834 -5.275 588 HA ARG 81 HA ARG 81 13.613 7.136 -5.886 589 HB2 ARG 81 1HB ARG 81 12.834 9.044 -7.526 590 HB3 ARG 81 2HB ARG 81 14.521 9.529 -7.431 591 HG2 ARG 81 1HG ARG 81 13.913 6.682 -8.013 592 HG3 ARG 81 2HG ARG 81 13.655 7.875 -9.287 593 HD2 ARG 81 1HD ARG 81 15.993 8.665 -8.915 594 HD3 ARG 81 2HD ARG 81 16.216 7.318 -7.799 595 HE ARG 81 HE ARG 81 15.361 6.109 -10.060 596 HH11 ARG 81 2HH1 ARG 81 17.902 8.391 -9.386 597 HH12 ARG 81 1HH1 ARG 81 18.930 7.820 -10.658 598 HH21 ARG 81 2HH2 ARG 81 16.706 5.347 -11.737 599 HH22 ARG 81 1HH2 ARG 81 18.249 6.089 -11.995 600 H TYR 82 H TYR 82 14.985 10.128 -4.694 601 HA TYR 82 HA TYR 82 17.414 8.695 -3.964 602 HB2 TYR 82 1HB TYR 82 18.923 10.101 -5.053 603 HB3 TYR 82 2HB TYR 82 17.659 9.883 -6.258 604 HD1 TYR 82 2HD TYR 82 15.833 11.706 -6.372 605 HD2 TYR 82 1HD TYR 82 19.574 12.247 -4.419 606 HE1 TYR 82 2HE TYR 82 15.556 14.145 -6.529 607 HE2 TYR 82 1HE TYR 82 19.307 14.687 -4.570 608 HH TYR 82 HH TYR 82 17.450 16.325 -4.791 609 H TYR 83 H TYR 83 18.842 10.111 -2.565 610 HA TYR 83 HA TYR 83 17.333 12.147 -1.098 611 HB2 TYR 83 1HB TYR 83 17.077 9.894 0.020 612 HB3 TYR 83 2HB TYR 83 18.811 9.926 0.319 613 HD1 TYR 83 1HD TYR 83 15.609 11.600 1.094 614 HD2 TYR 83 2HD TYR 83 19.728 11.220 2.090 615 HE1 TYR 83 1HE TYR 83 15.221 12.877 3.161 616 HE2 TYR 83 2HE TYR 83 19.351 12.494 4.160 617 HH TYR 83 HH TYR 83 17.099 14.416 4.751 618 H THR 84 H THR 84 18.577 13.730 -0.142 619 HA THR 84 HA THR 84 21.441 13.661 -0.825 620 HB THR 84 HB THR 84 19.649 16.063 -0.419 621 HG1 THR 84 1HG THR 84 20.261 16.297 -2.743 622 HG21 THR 84 1HG2 THR 84 21.513 17.426 -1.001 623 HG22 THR 84 2HG2 THR 84 22.497 16.019 -1.407 624 HG23 THR 84 3HG2 THR 84 22.061 16.335 0.272 625 H ILE 85 H ILE 85 22.505 12.986 0.945 626 HA ILE 85 HA ILE 85 21.677 13.839 3.593 627 HB ILE 85 HB ILE 85 24.074 12.164 2.846 628 HG12 ILE 85 1HG1 ILE 85 21.397 11.143 3.792 629 HG13 ILE 85 2HG1 ILE 85 21.805 11.275 2.085 630 HG21 ILE 85 1HG2 ILE 85 24.347 12.965 5.041 631 HG22 ILE 85 2HG2 ILE 85 22.644 12.721 5.428 632 HG23 ILE 85 3HG2 ILE 85 23.709 11.331 5.218 633 HD11 ILE 85 1HD1 ILE 85 23.441 9.699 4.049 634 HD12 ILE 85 2HD1 ILE 85 22.119 9.012 3.104 635 HD13 ILE 85 3HD1 ILE 85 23.535 9.674 2.288 636 H GLU 86 H GLU 86 22.304 15.745 4.347 637 HA GLU 86 HA GLU 86 24.899 16.828 3.487 638 HB2 GLU 86 1HB GLU 86 22.470 18.223 4.625 639 HB3 GLU 86 2HB GLU 86 23.995 19.020 4.261 640 HG2 GLU 86 1HG GLU 86 23.751 18.496 1.915 641 HG3 GLU 86 2HG GLU 86 22.273 17.594 2.246 642 H ASN 87 H ASN 87 25.656 18.518 5.314 643 HA ASN 87 HA ASN 87 26.679 18.749 7.332 644 HB2 ASN 87 1HB ASN 87 24.375 17.058 8.331 645 HB3 ASN 87 2HB ASN 87 25.447 18.036 9.330 646 HD21 ASN 87 1HD2 ASN 87 22.945 18.117 6.889 647 HD22 ASN 87 2HD2 ASN 87 22.446 19.746 7.181 648 H LEU 88 H LEU 88 27.884 16.926 5.795 649 HA LEU 88 HA LEU 88 28.569 14.762 7.673 650 HB2 LEU 88 1HB LEU 88 28.714 14.606 4.669 651 HB3 LEU 88 2HB LEU 88 29.016 13.303 5.817 652 HG LEU 88 HG LEU 88 26.333 14.623 5.422 653 HD11 LEU 88 1HD1 LEU 88 26.241 13.492 3.505 654 HD12 LEU 88 2HD1 LEU 88 26.154 12.038 4.499 655 HD13 LEU 88 3HD1 LEU 88 27.709 12.584 3.871 656 HD21 LEU 88 1HD2 LEU 88 27.242 12.181 6.934 657 HD22 LEU 88 2HD2 LEU 88 25.553 12.552 6.587 658 HD23 LEU 88 3HD2 LEU 88 26.509 13.643 7.592 659 H ASP 89 H ASP 89 30.779 14.033 7.610 660 HA ASP 89 HA ASP 89 32.623 16.219 7.292 661 HB2 ASP 89 1HB ASP 89 32.728 14.593 9.190 662 HB3 ASP 89 2HB ASP 89 33.218 13.351 8.041 663 HA PRO 90 HA PRO 90 33.646 15.135 3.096 664 HB2 PRO 90 1HB PRO 90 35.560 17.035 2.778 665 HB3 PRO 90 2HB PRO 90 33.830 17.395 2.723 666 HG2 PRO 90 1HG PRO 90 35.768 17.743 4.979 667 HG3 PRO 90 2HG PRO 90 34.493 18.841 4.419 668 HD2 PRO 90 1HD PRO 90 34.187 17.232 6.576 669 HD3 PRO 90 2HD PRO 90 32.834 17.676 5.516 670 H SER 91 H SER 91 35.850 14.895 1.900 671 HA SER 91 HA SER 91 37.596 13.427 1.657 672 HB2 SER 91 1HB SER 91 39.519 14.003 3.234 673 HB3 SER 91 2HB SER 91 38.867 15.335 2.280 674 HG SER 91 HG SER 91 37.801 16.087 4.068 675 H SER 92 H SER 92 35.637 12.011 2.763 676 HA SER 92 HA SER 92 37.075 10.161 4.474 677 HB2 SER 92 1HB SER 92 34.625 11.662 5.363 678 HB3 SER 92 2HB SER 92 34.971 10.053 5.994 679 HG SER 92 HG SER 92 35.854 12.112 7.067 680 H HIS 93 H HIS 93 36.405 8.065 4.246 681 HA HIS 93 HA HIS 93 34.677 7.514 2.004 682 HB2 HIS 93 1HB HIS 93 36.575 6.125 2.096 683 HB3 HIS 93 2HB HIS 93 36.371 5.810 3.816 684 HD1 HIS 93 1HD HIS 93 36.192 3.299 3.717 685 HD2 HIS 93 2HD HIS 93 33.518 5.207 1.174 686 HE1 HIS 93 1HE HIS 93 34.658 1.492 2.876 687 HE2 HIS 93 2HE HIS 93 33.103 2.656 1.273 688 H TYR 94 H TYR 94 32.568 7.152 2.117 689 HA TYR 94 HA TYR 94 31.425 6.318 4.703 690 HB2 TYR 94 1HB TYR 94 30.503 8.298 2.667 691 HB3 TYR 94 2HB TYR 94 29.289 7.410 3.581 692 HD1 TYR 94 2HD TYR 94 32.123 9.761 3.863 693 HD2 TYR 94 1HD TYR 94 28.847 7.925 5.863 694 HE1 TYR 94 2HE TYR 94 32.384 11.342 5.730 695 HE2 TYR 94 1HE TYR 94 29.098 9.501 7.734 696 HH TYR 94 HH TYR 94 30.585 10.991 8.700 697 H VAL 95 H VAL 95 30.139 4.562 4.755 698 HA VAL 95 HA VAL 95 29.811 3.074 2.253 699 HB VAL 95 HB VAL 95 29.505 2.173 5.121 700 HG11 VAL 95 1HG1 VAL 95 29.307 -0.086 4.206 701 HG12 VAL 95 2HG1 VAL 95 27.996 0.951 3.639 702 HG13 VAL 95 3HG1 VAL 95 29.346 0.570 2.570 703 HG21 VAL 95 1HG2 VAL 95 31.802 2.583 3.603 704 HG22 VAL 95 2HG2 VAL 95 31.671 1.658 5.099 705 HG23 VAL 95 3HG2 VAL 95 31.525 0.843 3.542 706 H ILE 96 H ILE 96 27.972 3.579 1.235 707 HA ILE 96 HA ILE 96 25.548 4.097 2.782 708 HB ILE 96 HB ILE 96 26.228 4.489 -0.125 709 HG12 ILE 96 1HG1 ILE 96 25.434 6.860 0.576 710 HG13 ILE 96 2HG1 ILE 96 25.653 6.277 2.223 711 HG21 ILE 96 1HG2 ILE 96 24.078 4.072 -0.578 712 HG22 ILE 96 2HG2 ILE 96 23.614 4.126 1.122 713 HG23 ILE 96 3HG2 ILE 96 23.759 5.622 0.199 714 HD11 ILE 96 1HD1 ILE 96 27.609 7.179 0.306 715 HD12 ILE 96 2HD1 ILE 96 27.763 6.922 2.044 716 HD13 ILE 96 3HD1 ILE 96 27.999 5.577 0.929 717 H THR 97 H THR 97 23.767 2.818 2.753 718 HA THR 97 HA THR 97 23.784 0.447 1.018 719 HB THR 97 HB THR 97 22.949 -0.938 2.900 720 HG1 THR 97 1HG THR 97 22.183 0.639 4.305 721 HG21 THR 97 1HG2 THR 97 25.482 0.020 4.025 722 HG22 THR 97 2HG2 THR 97 25.535 -0.298 2.291 723 HG23 THR 97 3HG2 THR 97 25.046 -1.573 3.407 724 H LEU 98 H LEU 98 21.679 -0.545 0.743 725 HA LEU 98 HA LEU 98 19.378 1.052 1.560 726 HB2 LEU 98 1HB LEU 98 19.864 2.071 -0.515 727 HB3 LEU 98 2HB LEU 98 20.185 0.518 -1.285 728 HG LEU 98 HG LEU 98 17.657 0.075 -0.792 729 HD11 LEU 98 1HD1 LEU 98 16.867 1.834 0.420 730 HD12 LEU 98 2HD1 LEU 98 16.535 2.430 -1.206 731 HD13 LEU 98 3HD1 LEU 98 17.961 2.994 -0.336 732 HD21 LEU 98 1HD2 LEU 98 17.123 1.339 -2.958 733 HD22 LEU 98 2HD2 LEU 98 18.364 0.087 -3.017 734 HD23 LEU 98 3HD2 LEU 98 18.829 1.788 -2.958 735 H LYS 99 H LYS 99 17.644 -0.166 2.022 736 HA LYS 99 HA LYS 99 17.512 -2.902 0.967 737 HB2 LYS 99 1HB LYS 99 16.904 -3.773 3.167 738 HB3 LYS 99 2HB LYS 99 18.500 -3.035 3.208 739 HG2 LYS 99 1HG LYS 99 17.633 -1.081 4.294 740 HG3 LYS 99 2HG LYS 99 15.977 -1.664 4.112 741 HD2 LYS 99 1HD LYS 99 16.500 -2.189 6.322 742 HD3 LYS 99 2HD LYS 99 16.775 -3.707 5.464 743 HE2 LYS 99 1HE LYS 99 19.078 -3.523 5.614 744 HE3 LYS 99 2HE LYS 99 19.025 -1.775 5.839 745 HZ1 LYS 99 1HZ LYS 99 18.310 -3.860 7.823 746 HZ2 LYS 99 2HZ LYS 99 18.002 -2.212 8.047 747 HZ3 LYS 99 3HZ LYS 99 19.595 -2.762 7.905 748 H ALA 100 H ALA 100 15.526 -3.525 0.342 749 HA ALA 100 HA ALA 100 13.379 -1.584 0.512 750 HB1 ALA 100 1HB ALA 100 12.559 -2.539 -1.347 751 HB2 ALA 100 2HB ALA 100 14.150 -3.293 -1.451 752 HB3 ALA 100 3HB ALA 100 12.802 -4.176 -0.736 753 H PHE 101 H PHE 101 11.704 -1.668 1.867 754 HA PHE 101 HA PHE 101 11.136 -4.197 3.256 755 HB2 PHE 101 1HB PHE 101 10.900 -3.100 5.358 756 HB3 PHE 101 2HB PHE 101 12.435 -2.560 4.685 757 HD1 PHE 101 2HD PHE 101 12.654 -0.287 3.770 758 HD2 PHE 101 1HD PHE 101 9.104 -1.586 5.725 759 HE1 PHE 101 2HE PHE 101 11.945 2.054 4.030 760 HE2 PHE 101 1HE PHE 101 8.388 0.753 5.988 761 HZ PHE 101 HZ PHE 101 9.810 2.577 5.141 762 H ASN 102 H ASN 102 8.963 -4.432 4.017 763 HA ASN 102 HA ASN 102 6.988 -2.487 3.169 764 HB2 ASN 102 1HB ASN 102 5.808 -3.866 1.658 765 HB3 ASN 102 2HB ASN 102 7.498 -4.024 1.187 766 HD21 ASN 102 1HD2 ASN 102 5.886 -5.912 0.304 767 HD22 ASN 102 2HD2 ASN 102 6.092 -7.391 1.173 768 H ASN 103 H ASN 103 4.688 -3.771 3.485 769 HA ASN 103 HA ASN 103 4.276 -3.950 6.193 770 HB2 ASN 103 1HB ASN 103 2.411 -3.723 4.688 771 HB3 ASN 103 2HB ASN 103 2.755 -5.283 3.946 772 HD21 ASN 103 1HD2 ASN 103 1.916 -7.082 4.814 773 HD22 ASN 103 2HD2 ASN 103 0.960 -7.125 6.252 774 H VAL 104 H VAL 104 5.163 -6.521 3.951 775 HA VAL 104 HA VAL 104 4.838 -8.700 5.692 776 HB VAL 104 HB VAL 104 6.872 -8.460 3.472 777 HG11 VAL 104 1HG1 VAL 104 7.275 -10.653 3.700 778 HG12 VAL 104 2HG1 VAL 104 6.586 -10.457 5.313 779 HG13 VAL 104 3HG1 VAL 104 5.577 -11.033 3.986 780 HG21 VAL 104 1HG2 VAL 104 4.539 -7.882 2.786 781 HG22 VAL 104 2HG2 VAL 104 5.209 -9.293 1.966 782 HG23 VAL 104 3HG2 VAL 104 4.050 -9.503 3.279 783 H GLY 105 H GLY 105 7.736 -6.771 4.930 784 HA2 GLY 105 1HA GLY 105 8.769 -6.675 7.492 785 HA3 GLY 105 2HA GLY 105 9.407 -8.150 6.780 786 H GLU 106 H GLU 106 11.480 -7.738 6.342 787 HA GLU 106 HA GLU 106 12.069 -5.384 4.677 788 HB2 GLU 106 1HB GLU 106 13.772 -6.464 6.930 789 HB3 GLU 106 2HB GLU 106 14.244 -5.173 5.833 790 HG2 GLU 106 1HG GLU 106 12.213 -3.914 6.646 791 HG3 GLU 106 2HG GLU 106 12.073 -5.139 7.905 792 H GLY 107 H GLY 107 13.909 -5.607 3.268 793 HA2 GLY 107 1HA GLY 107 14.306 -8.409 2.464 794 HA3 GLY 107 2HA GLY 107 14.507 -7.009 1.420 795 H ILE 108 H ILE 108 16.575 -7.662 0.778 796 HA ILE 108 HA ILE 108 18.635 -7.730 2.867 797 HB ILE 108 HB ILE 108 20.032 -8.357 0.677 798 HG12 ILE 108 1HG1 ILE 108 17.795 -8.084 -0.623 799 HG13 ILE 108 2HG1 ILE 108 18.825 -9.465 -0.983 800 HG21 ILE 108 1HG2 ILE 108 18.271 -10.347 2.098 801 HG22 ILE 108 2HG2 ILE 108 19.816 -10.664 1.310 802 HG23 ILE 108 3HG2 ILE 108 19.756 -9.671 2.766 803 HD11 ILE 108 1HD1 ILE 108 16.630 -9.705 1.025 804 HD12 ILE 108 2HD1 ILE 108 16.290 -9.817 -0.702 805 HD13 ILE 108 3HD1 ILE 108 17.402 -10.958 0.054 806 HA PRO 109 HA PRO 109 19.763 -3.587 1.734 807 HB2 PRO 109 1HB PRO 109 21.998 -3.451 3.270 808 HB3 PRO 109 2HB PRO 109 20.365 -3.322 3.936 809 HG2 PRO 109 1HG PRO 109 22.196 -5.689 3.856 810 HG3 PRO 109 2HG PRO 109 21.171 -5.112 5.183 811 HD2 PRO 109 1HD PRO 109 20.458 -7.178 3.584 812 HD3 PRO 109 2HD PRO 109 19.270 -6.068 4.297 813 H LEU 110 H LEU 110 21.650 -2.468 0.813 814 HA LEU 110 HA LEU 110 23.255 -4.300 -0.838 815 HB2 LEU 110 1HB LEU 110 22.355 -1.467 -1.311 816 HB3 LEU 110 2HB LEU 110 23.539 -2.291 -2.324 817 HG LEU 110 HG LEU 110 20.876 -3.566 -1.936 818 HD11 LEU 110 1HD1 LEU 110 20.898 -1.832 -4.241 819 HD12 LEU 110 2HD1 LEU 110 21.048 -0.910 -2.746 820 HD13 LEU 110 3HD1 LEU 110 19.685 -2.005 -2.972 821 HD21 LEU 110 1HD2 LEU 110 22.335 -3.309 -4.516 822 HD22 LEU 110 2HD2 LEU 110 21.361 -4.642 -3.895 823 HD23 LEU 110 3HD2 LEU 110 22.992 -4.379 -3.277 824 H TYR 111 H TYR 111 25.329 -3.001 -1.655 825 HA TYR 111 HA TYR 111 26.577 -1.603 0.595 826 HB2 TYR 111 1HB TYR 111 27.390 -4.236 -0.526 827 HB3 TYR 111 2HB TYR 111 28.673 -3.106 -0.107 828 HD1 TYR 111 2HD TYR 111 25.536 -4.515 1.362 829 HD2 TYR 111 1HD TYR 111 29.522 -3.188 2.037 830 HE1 TYR 111 2HE TYR 111 25.358 -5.197 3.718 831 HE2 TYR 111 1HE TYR 111 29.356 -3.868 4.395 832 HH TYR 111 HH TYR 111 26.470 -4.556 5.910 833 H GLU 112 H GLU 112 27.265 0.263 -0.200 834 HA GLU 112 HA GLU 112 28.598 0.267 -2.824 835 HB2 GLU 112 1HB GLU 112 26.388 2.001 -1.828 836 HB3 GLU 112 2HB GLU 112 27.616 2.736 -2.849 837 HG2 GLU 112 1HG GLU 112 25.717 0.518 -3.518 838 HG3 GLU 112 2HG GLU 112 25.901 2.086 -4.301 839 H SER 113 H SER 113 29.768 2.500 -3.095 840 HA SER 113 HA SER 113 31.039 3.257 -0.554 841 HB2 SER 113 1HB SER 113 33.236 3.334 -1.780 842 HB3 SER 113 2HB SER 113 32.582 1.712 -1.563 843 HG SER 113 HG SER 113 33.265 1.943 -3.684 844 H ALA 114 H ALA 114 31.569 5.386 -0.343 845 HA ALA 114 HA ALA 114 31.459 7.155 -2.647 846 HB1 ALA 114 1HB ALA 114 29.572 7.486 -0.317 847 HB2 ALA 114 2HB ALA 114 29.800 8.646 -1.626 848 HB3 ALA 114 3HB ALA 114 29.128 7.052 -1.968 849 H VAL 115 H VAL 115 33.316 8.219 -2.452 850 HA VAL 115 HA VAL 115 34.306 8.928 0.212 851 HB VAL 115 HB VAL 115 35.711 9.081 -2.459 852 HG11 VAL 115 1HG1 VAL 115 36.394 10.641 -0.508 853 HG12 VAL 115 2HG1 VAL 115 37.054 9.172 0.213 854 HG13 VAL 115 3HG1 VAL 115 37.642 9.728 -1.354 855 HG21 VAL 115 1HG2 VAL 115 35.067 6.819 -1.052 856 HG22 VAL 115 2HG2 VAL 115 36.401 6.967 -2.196 857 HG23 VAL 115 3HG2 VAL 115 36.692 7.182 -0.470 858 H THR 116 H THR 116 33.516 10.815 0.907 859 HA THR 116 HA THR 116 32.463 12.891 -0.552 860 HB THR 116 HB THR 116 32.964 14.360 1.392 861 HG1 THR 116 1HG THR 116 33.935 13.073 3.226 862 HG21 THR 116 1HG2 THR 116 31.736 11.656 1.726 863 HG22 THR 116 2HG2 THR 116 30.968 13.244 1.709 864 HG23 THR 116 3HG2 THR 116 31.880 12.720 3.124 865 H ARG 117 H ARG 117 33.259 14.355 -1.907 866 HA ARG 117 HA ARG 117 35.785 14.433 -2.914 867 HB2 ARG 117 1HB ARG 117 33.806 16.692 -2.608 868 HB3 ARG 117 2HB ARG 117 35.288 16.835 -3.544 869 HG2 ARG 117 1HG ARG 117 33.485 14.561 -4.154 870 HG3 ARG 117 2HG ARG 117 32.983 16.178 -4.652 871 HD2 ARG 117 1HD ARG 117 34.165 15.537 -6.503 872 HD3 ARG 117 2HD ARG 117 35.448 16.300 -5.564 873 HE ARG 117 HE ARG 117 35.135 13.454 -5.147 874 HH11 ARG 117 2HH1 ARG 117 36.743 15.982 -6.920 875 HH12 ARG 117 1HH1 ARG 117 38.091 14.990 -7.368 876 HH21 ARG 117 2HH2 ARG 117 36.904 12.138 -5.730 877 HH22 ARG 117 1HH2 ARG 117 38.181 12.803 -6.691 878 HA PRO 118 HA PRO 118 38.507 16.203 0.041 879 HB2 PRO 118 1HB PRO 118 40.252 17.510 -1.577 880 HB3 PRO 118 2HB PRO 118 40.208 15.749 -1.435 881 HG2 PRO 118 1HG PRO 118 39.022 17.509 -3.546 882 HG3 PRO 118 2HG PRO 118 39.899 15.979 -3.729 883 HD2 PRO 118 1HD PRO 118 37.198 16.133 -3.842 884 HD3 PRO 118 2HD PRO 118 38.047 14.710 -3.204 885 H HIS 119 H HIS 119 37.409 17.720 1.227 886 HA HIS 119 HA HIS 119 36.785 20.315 0.106 887 HB2 HIS 119 1HB HIS 119 35.211 19.260 1.660 888 HB3 HIS 119 2HB HIS 119 36.445 19.244 2.916 889 HD1 HIS 119 1HD HIS 119 34.774 21.880 0.726 890 HD2 HIS 119 2HD HIS 119 36.190 21.338 4.594 891 HE1 HIS 119 1HE HIS 119 34.239 24.014 1.942 892 HE2 HIS 119 2HE HIS 119 35.181 23.696 4.257 893 H THR 120 H THR 120 38.732 19.148 2.857 894 HA THR 120 HA THR 120 40.016 21.687 3.206 895 HB THR 120 HB THR 120 39.669 20.172 5.111 896 HG1 THR 120 1HG THR 120 41.557 20.734 6.021 897 HG21 THR 120 1HG2 THR 120 40.186 18.096 3.674 898 HG22 THR 120 2HG2 THR 120 40.734 18.103 5.351 899 HG23 THR 120 3HG2 THR 120 41.875 18.436 4.049 900 H SER 121 H SER 121 40.406 21.116 0.611 901 HA SER 121 HA SER 121 43.067 19.940 0.329 902 HB2 SER 121 1HB SER 121 41.343 19.233 -1.271 903 HB3 SER 121 2HB SER 121 41.118 20.906 -1.778 904 HG SER 121 HG SER 121 42.563 20.299 -3.213 905 H GLY 122 H GLY 122 44.846 21.139 0.194 906 HA2 GLY 122 1HA GLY 122 44.557 24.047 0.020 907 HA3 GLY 122 2HA GLY 122 45.991 23.177 0.547 908 HA PRO 123 HA PRO 123 47.518 24.368 -3.457 909 HB2 PRO 123 1HB PRO 123 49.971 23.242 -3.165 910 HB3 PRO 123 2HB PRO 123 49.520 24.772 -2.403 911 HG2 PRO 123 1HG PRO 123 49.604 22.022 -1.224 912 HG3 PRO 123 2HG PRO 123 50.154 23.556 -0.525 913 HD2 PRO 123 1HD PRO 123 47.788 22.418 0.138 914 HD3 PRO 123 2HD PRO 123 48.025 24.177 0.104 915 H SER 124 H SER 124 48.519 23.242 -5.329 916 HA SER 124 HA SER 124 47.446 20.516 -5.544 917 HB2 SER 124 1HB SER 124 46.731 22.435 -7.129 918 HB3 SER 124 2HB SER 124 48.311 22.207 -7.880 919 HG SER 124 HG SER 124 46.876 20.906 -8.958 920 H SER 125 H SER 125 48.666 19.006 -6.953 921 HA SER 125 HA SER 125 51.259 18.602 -6.011 922 HB2 SER 125 1HB SER 125 51.389 16.770 -7.522 923 HB3 SER 125 2HB SER 125 49.689 16.893 -7.070 924 HG SER 125 HG SER 125 50.840 17.981 -9.427 925 H GLY 126 H GLY 126 50.140 19.987 -9.082 926 HA2 GLY 126 1HA GLY 126 51.867 21.954 -9.518 927 HA3 GLY 126 2HA GLY 126 52.889 20.567 -9.869 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -19.690 33.226 -44.408 2 HA2 GLY 1 1HA GLY 1 -21.666 33.176 -42.213 3 HA3 GLY 1 2HA GLY 1 -20.494 31.902 -42.514 4 H SER 2 H SER 2 -20.294 32.477 -40.088 5 HA SER 2 HA SER 2 -17.842 33.962 -39.802 6 HB2 SER 2 1HB SER 2 -20.424 34.966 -38.621 7 HB3 SER 2 2HB SER 2 -18.869 35.343 -37.879 8 HG SER 2 HG SER 2 -19.915 36.745 -39.683 9 H SER 3 H SER 3 -16.608 32.827 -38.471 10 HA SER 3 HA SER 3 -17.643 31.726 -36.017 11 HB2 SER 3 1HB SER 3 -16.557 29.858 -38.139 12 HB3 SER 3 2HB SER 3 -16.997 29.403 -36.493 13 HG SER 3 HG SER 3 -18.629 29.020 -38.158 14 H GLY 4 H GLY 4 -15.808 30.404 -34.906 15 HA2 GLY 4 1HA GLY 4 -13.117 30.909 -35.641 16 HA3 GLY 4 2HA GLY 4 -13.649 32.101 -34.465 17 H SER 5 H SER 5 -14.017 28.577 -34.897 18 HA SER 5 HA SER 5 -14.103 28.021 -32.137 19 HB2 SER 5 1HB SER 5 -14.913 26.509 -33.985 20 HB3 SER 5 2HB SER 5 -13.226 26.114 -34.316 21 HG SER 5 HG SER 5 -14.253 24.610 -32.896 22 H SER 6 H SER 6 -11.459 28.229 -34.433 23 HA SER 6 HA SER 6 -9.196 28.173 -34.194 24 HB2 SER 6 1HB SER 6 -9.973 29.043 -31.404 25 HB3 SER 6 2HB SER 6 -8.309 29.009 -31.987 26 HG SER 6 HG SER 6 -10.039 30.306 -33.671 27 H GLY 7 H GLY 7 -10.422 25.694 -34.034 28 HA2 GLY 7 1HA GLY 7 -9.978 23.522 -33.442 29 HA3 GLY 7 2HA GLY 7 -8.390 24.097 -32.956 30 HA PRO 8 HA PRO 8 -11.315 23.002 -29.293 31 HB2 PRO 8 1HB PRO 8 -10.744 20.371 -28.947 32 HB3 PRO 8 2HB PRO 8 -12.086 20.939 -29.947 33 HG2 PRO 8 1HG PRO 8 -9.355 20.036 -30.776 34 HG3 PRO 8 2HG PRO 8 -10.926 19.665 -31.509 35 HD2 PRO 8 1HD PRO 8 -9.253 21.540 -32.519 36 HD3 PRO 8 2HD PRO 8 -11.020 21.678 -32.629 37 H ALA 9 H ALA 9 -10.508 21.912 -27.183 38 HA ALA 9 HA ALA 9 -7.619 21.872 -26.896 39 HB1 ALA 9 1HB ALA 9 -8.318 24.270 -26.677 40 HB2 ALA 9 2HB ALA 9 -9.224 23.805 -25.237 41 HB3 ALA 9 3HB ALA 9 -7.472 23.609 -25.278 42 H THR 10 H THR 10 -7.393 19.963 -25.922 43 HA THR 10 HA THR 10 -8.821 19.514 -23.405 44 HB THR 10 HB THR 10 -9.197 17.128 -24.001 45 HG1 THR 10 1HG THR 10 -8.294 18.050 -26.535 46 HG21 THR 10 1HG2 THR 10 -11.046 17.620 -25.712 47 HG22 THR 10 2HG2 THR 10 -10.522 19.301 -25.600 48 HG23 THR 10 3HG2 THR 10 -11.119 18.465 -24.166 49 H ASP 11 H ASP 11 -7.319 19.233 -21.904 50 HA ASP 11 HA ASP 11 -4.998 17.542 -22.524 51 HB2 ASP 11 1HB ASP 11 -4.812 20.087 -20.904 52 HB3 ASP 11 2HB ASP 11 -3.486 19.044 -21.411 53 H TRP 12 H TRP 12 -6.097 15.871 -21.406 54 HA TRP 12 HA TRP 12 -5.996 16.184 -18.483 55 HB2 TRP 12 1HB TRP 12 -7.959 14.388 -18.645 56 HB3 TRP 12 2HB TRP 12 -8.277 16.121 -18.664 57 HD1 TRP 12 HD TRP 12 -7.004 14.163 -21.725 58 HE1 TRP 12 1HE TRP 12 -8.789 14.304 -23.574 59 HE3 TRP 12 3HE TRP 12 -10.703 16.523 -19.102 60 HZ2 TRP 12 2HZ TRP 12 -11.418 15.286 -23.879 61 HZ3 TRP 12 3HZ TRP 12 -12.822 17.028 -20.245 62 HH2 TRP 12 HH TRP 12 -13.170 16.422 -22.585 63 H LEU 13 H LEU 13 -3.875 15.217 -18.729 64 HA LEU 13 HA LEU 13 -3.961 12.333 -19.311 65 HB2 LEU 13 1HB LEU 13 -1.755 14.360 -19.476 66 HB3 LEU 13 2HB LEU 13 -1.416 12.631 -19.409 67 HG LEU 13 HG LEU 13 -3.278 13.646 -21.504 68 HD11 LEU 13 1HD1 LEU 13 -0.565 14.546 -21.198 69 HD12 LEU 13 2HD1 LEU 13 -1.767 14.995 -22.407 70 HD13 LEU 13 3HD1 LEU 13 -0.739 13.586 -22.667 71 HD21 LEU 13 1HD2 LEU 13 -1.557 11.295 -20.997 72 HD22 LEU 13 2HD2 LEU 13 -1.709 11.823 -22.673 73 HD23 LEU 13 3HD2 LEU 13 -3.150 11.398 -21.748 74 H SER 14 H SER 14 -4.617 11.597 -17.305 75 HA SER 14 HA SER 14 -2.630 11.919 -15.157 76 HB2 SER 14 1HB SER 14 -4.521 11.814 -13.518 77 HB3 SER 14 2HB SER 14 -4.533 13.265 -14.520 78 HG SER 14 HG SER 14 -5.929 11.229 -15.656 79 H ALA 15 H ALA 15 -2.443 9.849 -16.896 80 HA ALA 15 HA ALA 15 -3.855 7.538 -15.893 81 HB1 ALA 15 1HB ALA 15 -2.938 6.356 -17.659 82 HB2 ALA 15 2HB ALA 15 -3.055 7.990 -18.315 83 HB3 ALA 15 3HB ALA 15 -1.505 7.382 -17.735 84 H GLU 16 H GLU 16 -2.553 8.656 -13.787 85 HA GLU 16 HA GLU 16 -0.280 6.834 -13.336 86 HB2 GLU 16 1HB GLU 16 0.476 8.509 -11.624 87 HB3 GLU 16 2HB GLU 16 0.545 9.074 -13.287 88 HG2 GLU 16 1HG GLU 16 -1.246 10.514 -13.011 89 HG3 GLU 16 2HG GLU 16 -1.843 9.658 -11.590 90 H THR 17 H THR 17 -2.064 5.318 -12.763 91 HA THR 17 HA THR 17 -2.454 5.356 -9.896 92 HB THR 17 HB THR 17 -4.918 5.011 -11.592 93 HG1 THR 17 1HG THR 17 -3.982 7.393 -10.330 94 HG21 THR 17 1HG2 THR 17 -4.437 4.385 -8.987 95 HG22 THR 17 2HG2 THR 17 -6.027 4.777 -9.643 96 HG23 THR 17 3HG2 THR 17 -5.074 6.022 -8.837 97 H PHE 18 H PHE 18 -2.289 3.355 -9.097 98 HA PHE 18 HA PHE 18 -2.407 1.112 -10.992 99 HB2 PHE 18 1HB PHE 18 -0.770 1.683 -8.574 100 HB3 PHE 18 2HB PHE 18 -1.200 0.003 -8.879 101 HD1 PHE 18 1HD PHE 18 -0.953 -0.523 -11.582 102 HD2 PHE 18 2HD PHE 18 1.331 2.232 -9.278 103 HE1 PHE 18 1HE PHE 18 0.891 -0.701 -13.202 104 HE2 PHE 18 2HE PHE 18 3.177 2.060 -10.894 105 HZ PHE 18 HZ PHE 18 2.958 0.593 -12.860 106 H GLU 19 H GLU 19 -3.195 -0.970 -10.121 107 HA GLU 19 HA GLU 19 -5.675 -0.543 -8.678 108 HB2 GLU 19 1HB GLU 19 -4.518 -2.743 -10.324 109 HB3 GLU 19 2HB GLU 19 -5.759 -3.154 -9.149 110 HG2 GLU 19 1HG GLU 19 -7.321 -1.664 -10.189 111 HG3 GLU 19 2HG GLU 19 -6.078 -1.055 -11.279 112 H SER 20 H SER 20 -6.294 -1.713 -6.813 113 HA SER 20 HA SER 20 -4.130 -2.104 -4.951 114 HB2 SER 20 1HB SER 20 -7.117 -2.046 -4.768 115 HB3 SER 20 2HB SER 20 -6.196 -2.782 -3.456 116 HG SER 20 HG SER 20 -4.964 -0.563 -3.912 117 H ASP 21 H ASP 21 -3.914 -3.945 -6.990 118 HA ASP 21 HA ASP 21 -4.558 -6.462 -5.602 119 HB2 ASP 21 1HB ASP 21 -4.866 -5.718 -8.480 120 HB3 ASP 21 2HB ASP 21 -4.437 -7.379 -8.080 121 H LEU 22 H LEU 22 -2.216 -5.122 -5.088 122 HA LEU 22 HA LEU 22 -0.133 -6.297 -6.748 123 HB2 LEU 22 1HB LEU 22 -0.253 -4.216 -4.634 124 HB3 LEU 22 2HB LEU 22 1.267 -5.082 -4.847 125 HG LEU 22 HG LEU 22 1.139 -2.903 -6.048 126 HD11 LEU 22 1HD1 LEU 22 2.739 -4.490 -6.801 127 HD12 LEU 22 2HD1 LEU 22 1.949 -3.829 -8.232 128 HD13 LEU 22 3HD1 LEU 22 1.505 -5.430 -7.642 129 HD21 LEU 22 1HD2 LEU 22 -0.992 -2.611 -6.841 130 HD22 LEU 22 2HD2 LEU 22 -1.160 -4.296 -7.334 131 HD23 LEU 22 3HD2 LEU 22 -0.182 -3.188 -8.297 132 H ASP 23 H ASP 23 1.693 -7.423 -5.708 133 HA ASP 23 HA ASP 23 0.701 -9.467 -3.922 134 HB2 ASP 23 1HB ASP 23 3.199 -9.066 -5.522 135 HB3 ASP 23 2HB ASP 23 3.203 -10.232 -4.200 136 H GLU 24 H GLU 24 0.728 -9.236 -1.794 137 HA GLU 24 HA GLU 24 2.990 -7.809 -0.563 138 HB2 GLU 24 1HB GLU 24 0.747 -6.548 -0.609 139 HB3 GLU 24 2HB GLU 24 0.206 -7.729 0.575 140 HG2 GLU 24 1HG GLU 24 2.758 -6.320 1.104 141 HG3 GLU 24 2HG GLU 24 1.259 -5.407 1.271 142 H THR 25 H THR 25 2.674 -10.635 -1.006 143 HA THR 25 HA THR 25 2.135 -11.683 1.678 144 HB THR 25 HB THR 25 2.292 -13.921 0.622 145 HG1 THR 25 1HG THR 25 2.889 -14.129 -1.419 146 HG21 THR 25 1HG2 THR 25 0.312 -11.866 -0.049 147 HG22 THR 25 2HG2 THR 25 0.083 -13.499 0.578 148 HG23 THR 25 3HG2 THR 25 0.322 -13.243 -1.151 149 H ARG 26 H ARG 26 4.706 -10.689 -0.262 150 HA ARG 26 HA ARG 26 6.611 -11.920 1.585 151 HB2 ARG 26 1HB ARG 26 8.038 -12.746 -0.115 152 HB3 ARG 26 2HB ARG 26 6.422 -13.300 -0.535 153 HG2 ARG 26 1HG ARG 26 6.259 -11.887 -2.343 154 HG3 ARG 26 2HG ARG 26 7.451 -10.756 -1.700 155 HD2 ARG 26 1HD ARG 26 8.073 -13.539 -2.680 156 HD3 ARG 26 2HD ARG 26 8.274 -12.071 -3.636 157 HE ARG 26 HE ARG 26 9.743 -11.506 -1.480 158 HH11 ARG 26 2HH1 ARG 26 9.600 -14.354 -3.478 159 HH12 ARG 26 1HH1 ARG 26 11.258 -14.781 -3.213 160 HH21 ARG 26 2HH2 ARG 26 11.927 -12.059 -1.124 161 HH22 ARG 26 1HH2 ARG 26 12.581 -13.476 -1.874 162 H VAL 27 H VAL 27 8.635 -10.819 1.720 163 HA VAL 27 HA VAL 27 8.394 -7.992 1.480 164 HB VAL 27 HB VAL 27 10.680 -7.892 2.337 165 HG11 VAL 27 1HG1 VAL 27 10.237 -8.721 4.476 166 HG12 VAL 27 2HG1 VAL 27 8.637 -8.440 3.788 167 HG13 VAL 27 3HG1 VAL 27 9.294 -10.076 3.856 168 HG21 VAL 27 1HG2 VAL 27 11.344 -10.517 2.941 169 HG22 VAL 27 2HG2 VAL 27 10.785 -10.583 1.269 170 HG23 VAL 27 3HG2 VAL 27 12.100 -9.496 1.718 171 HA PRO 28 HA PRO 28 10.055 -7.243 -2.517 172 HB2 PRO 28 1HB PRO 28 11.251 -4.838 -2.118 173 HB3 PRO 28 2HB PRO 28 9.496 -5.037 -2.194 174 HG2 PRO 28 1HG PRO 28 11.275 -4.802 0.203 175 HG3 PRO 28 2HG PRO 28 9.702 -4.042 -0.102 176 HD2 PRO 28 1HD PRO 28 9.981 -6.239 1.456 177 HD3 PRO 28 2HD PRO 28 8.531 -5.942 0.476 178 H GLU 29 H GLU 29 11.668 -8.597 -3.100 179 HA GLU 29 HA GLU 29 14.083 -9.004 -1.779 180 HB2 GLU 29 1HB GLU 29 13.632 -9.286 -4.753 181 HB3 GLU 29 2HB GLU 29 14.843 -10.115 -3.785 182 HG2 GLU 29 1HG GLU 29 13.336 -11.581 -2.895 183 HG3 GLU 29 2HG GLU 29 11.980 -10.469 -3.075 184 H VAL 30 H VAL 30 16.263 -8.433 -2.454 185 HA VAL 30 HA VAL 30 16.948 -5.858 -2.373 186 HB VAL 30 HB VAL 30 18.660 -7.544 -2.410 187 HG11 VAL 30 1HG1 VAL 30 17.432 -8.227 -4.975 188 HG12 VAL 30 2HG1 VAL 30 19.197 -8.229 -5.000 189 HG13 VAL 30 3HG1 VAL 30 18.329 -9.236 -3.841 190 HG21 VAL 30 1HG2 VAL 30 18.850 -5.430 -4.524 191 HG22 VAL 30 2HG2 VAL 30 19.600 -5.479 -2.929 192 HG23 VAL 30 3HG2 VAL 30 20.198 -6.526 -4.216 193 HA PRO 31 HA PRO 31 15.354 -3.813 -5.944 194 HB2 PRO 31 1HB PRO 31 16.873 -1.567 -5.809 195 HB3 PRO 31 2HB PRO 31 15.521 -1.879 -4.713 196 HG2 PRO 31 1HG PRO 31 18.455 -2.267 -4.262 197 HG3 PRO 31 2HG PRO 31 17.235 -1.585 -3.170 198 HD2 PRO 31 1HD PRO 31 18.131 -4.131 -2.947 199 HD3 PRO 31 2HD PRO 31 16.472 -3.662 -2.524 200 H SER 32 H SER 32 16.105 -2.851 -7.994 201 HA SER 32 HA SER 32 17.764 -4.484 -9.441 202 HB2 SER 32 1HB SER 32 17.480 -3.020 -11.201 203 HB3 SER 32 2HB SER 32 16.175 -2.480 -10.144 204 HG SER 32 HG SER 32 17.601 -0.799 -11.008 205 H SER 33 H SER 33 18.634 -1.392 -7.916 206 HA SER 33 HA SER 33 21.247 -2.225 -7.260 207 HB2 SER 33 1HB SER 33 22.579 -0.944 -8.814 208 HB3 SER 33 2HB SER 33 21.514 -1.999 -9.742 209 HG SER 33 HG SER 33 21.744 0.588 -9.977 210 H LEU 34 H LEU 34 22.654 -0.012 -6.965 211 HA LEU 34 HA LEU 34 21.004 2.175 -6.025 212 HB2 LEU 34 1HB LEU 34 20.834 1.116 -4.013 213 HB3 LEU 34 2HB LEU 34 22.351 0.243 -4.223 214 HG LEU 34 HG LEU 34 23.495 2.495 -3.815 215 HD11 LEU 34 1HD1 LEU 34 21.839 4.098 -3.996 216 HD12 LEU 34 2HD1 LEU 34 21.992 3.910 -2.250 217 HD13 LEU 34 3HD1 LEU 34 20.661 3.133 -3.106 218 HD21 LEU 34 1HD2 LEU 34 22.593 0.466 -2.098 219 HD22 LEU 34 2HD2 LEU 34 22.291 1.990 -1.261 220 HD23 LEU 34 3HD2 LEU 34 23.916 1.601 -1.828 221 H HIS 35 H HIS 35 22.002 3.864 -6.893 222 HA HIS 35 HA HIS 35 24.917 3.856 -7.139 223 HB2 HIS 35 1HB HIS 35 23.988 4.457 -9.192 224 HB3 HIS 35 2HB HIS 35 22.712 5.414 -8.447 225 HD1 HIS 35 1HD HIS 35 23.050 7.849 -8.633 226 HD2 HIS 35 2HD HIS 35 26.655 5.785 -8.725 227 HE1 HIS 35 1HE HIS 35 24.819 9.601 -8.990 228 HE2 HIS 35 2HE HIS 35 26.983 8.319 -9.127 229 H VAL 36 H VAL 36 26.215 5.525 -6.345 230 HA VAL 36 HA VAL 36 24.952 7.435 -4.510 231 HB VAL 36 HB VAL 36 26.912 7.021 -2.926 232 HG11 VAL 36 1HG1 VAL 36 24.463 5.456 -3.307 233 HG12 VAL 36 2HG1 VAL 36 25.674 4.684 -2.281 234 HG13 VAL 36 3HG1 VAL 36 25.068 6.291 -1.876 235 HG21 VAL 36 1HG2 VAL 36 28.063 5.576 -4.732 236 HG22 VAL 36 2HG2 VAL 36 28.146 5.054 -3.050 237 HG23 VAL 36 3HG2 VAL 36 27.003 4.290 -4.154 238 H ARG 37 H ARG 37 25.765 9.436 -4.649 239 HA ARG 37 HA ARG 37 28.292 9.790 -6.124 240 HB2 ARG 37 1HB ARG 37 26.412 10.591 -7.436 241 HB3 ARG 37 2HB ARG 37 25.844 11.562 -6.084 242 HG2 ARG 37 1HG ARG 37 27.935 12.885 -6.218 243 HG3 ARG 37 2HG ARG 37 28.377 11.965 -7.657 244 HD2 ARG 37 1HD ARG 37 26.077 12.708 -8.560 245 HD3 ARG 37 2HD ARG 37 26.135 13.916 -7.278 246 HE ARG 37 HE ARG 37 28.539 14.016 -8.711 247 HH11 ARG 37 2HH1 ARG 37 25.153 14.703 -9.137 248 HH12 ARG 37 1HH1 ARG 37 25.420 15.951 -10.310 249 HH21 ARG 37 2HH2 ARG 37 28.904 15.656 -10.254 250 HH22 ARG 37 1HH2 ARG 37 27.554 16.491 -10.945 251 HA PRO 38 HA PRO 38 29.490 11.490 -2.143 252 HB2 PRO 38 1HB PRO 38 32.120 11.728 -2.777 253 HB3 PRO 38 2HB PRO 38 31.381 10.194 -2.304 254 HG2 PRO 38 1HG PRO 38 32.015 11.227 -5.041 255 HG3 PRO 38 2HG PRO 38 32.256 9.601 -4.375 256 HD2 PRO 38 1HD PRO 38 30.167 10.222 -5.982 257 HD3 PRO 38 2HD PRO 38 30.052 9.008 -4.692 258 H LEU 39 H LEU 39 29.303 13.563 -1.593 259 HA LEU 39 HA LEU 39 30.209 15.616 -3.503 260 HB2 LEU 39 1HB LEU 39 27.711 15.357 -1.931 261 HB3 LEU 39 2HB LEU 39 28.393 16.973 -2.097 262 HG LEU 39 HG LEU 39 28.411 16.288 -4.664 263 HD11 LEU 39 1HD1 LEU 39 26.470 14.965 -5.249 264 HD12 LEU 39 2HD1 LEU 39 26.092 14.720 -3.544 265 HD13 LEU 39 3HD1 LEU 39 27.559 14.023 -4.230 266 HD21 LEU 39 1HD2 LEU 39 26.333 17.485 -4.911 267 HD22 LEU 39 2HD2 LEU 39 27.278 18.222 -3.616 268 HD23 LEU 39 3HD2 LEU 39 25.912 17.175 -3.226 269 H VAL 40 H VAL 40 31.008 17.590 -2.597 270 HA VAL 40 HA VAL 40 32.987 17.557 -0.855 271 HB VAL 40 HB VAL 40 30.902 19.744 -0.823 272 HG11 VAL 40 1HG1 VAL 40 32.215 20.914 0.543 273 HG12 VAL 40 2HG1 VAL 40 33.104 19.417 0.832 274 HG13 VAL 40 3HG1 VAL 40 33.653 20.545 -0.408 275 HG21 VAL 40 1HG2 VAL 40 32.780 18.884 -2.837 276 HG22 VAL 40 2HG2 VAL 40 31.514 20.108 -2.932 277 HG23 VAL 40 3HG2 VAL 40 33.112 20.539 -2.325 278 H THR 41 H THR 41 29.858 18.669 0.431 279 HA THR 41 HA THR 41 30.493 17.252 2.938 280 HB THR 41 HB THR 41 29.144 19.015 4.099 281 HG1 THR 41 1HG THR 41 27.987 19.878 2.379 282 HG21 THR 41 1HG2 THR 41 31.006 20.244 4.482 283 HG22 THR 41 2HG2 THR 41 31.280 20.555 2.768 284 HG23 THR 41 3HG2 THR 41 31.773 19.017 3.475 285 H SER 42 H SER 42 28.901 16.419 0.546 286 HA SER 42 HA SER 42 26.569 15.505 2.023 287 HB2 SER 42 1HB SER 42 26.145 16.727 -0.699 288 HB3 SER 42 2HB SER 42 24.936 16.296 0.511 289 HG SER 42 HG SER 42 25.819 18.637 0.179 290 H ILE 43 H ILE 43 25.192 14.110 0.307 291 HA ILE 43 HA ILE 43 26.833 12.705 -1.602 292 HB ILE 43 HB ILE 43 25.860 11.249 0.860 293 HG12 ILE 43 1HG1 ILE 43 28.658 11.808 -0.149 294 HG13 ILE 43 2HG1 ILE 43 27.903 12.542 1.262 295 HG21 ILE 43 1HG2 ILE 43 25.821 10.148 -1.526 296 HG22 ILE 43 2HG2 ILE 43 27.553 9.986 -1.238 297 HG23 ILE 43 3HG2 ILE 43 26.402 9.251 -0.123 298 HD11 ILE 43 1HD1 ILE 43 29.317 10.874 2.095 299 HD12 ILE 43 2HD1 ILE 43 27.694 10.189 2.182 300 HD13 ILE 43 3HD1 ILE 43 28.788 9.704 0.887 301 H VAL 44 H VAL 44 25.409 12.795 -3.229 302 HA VAL 44 HA VAL 44 22.582 12.574 -2.853 303 HB VAL 44 HB VAL 44 24.221 12.498 -5.390 304 HG11 VAL 44 1HG1 VAL 44 22.280 11.614 -6.172 305 HG12 VAL 44 2HG1 VAL 44 21.309 12.310 -4.872 306 HG13 VAL 44 3HG1 VAL 44 21.829 13.318 -6.223 307 HG21 VAL 44 1HG2 VAL 44 24.511 14.667 -4.940 308 HG22 VAL 44 2HG2 VAL 44 22.800 14.857 -5.322 309 HG23 VAL 44 3HG2 VAL 44 23.311 14.646 -3.648 310 H VAL 45 H VAL 45 22.029 10.610 -1.995 311 HA VAL 45 HA VAL 45 23.006 8.154 -3.189 312 HB VAL 45 HB VAL 45 20.959 8.523 -0.998 313 HG11 VAL 45 1HG1 VAL 45 22.592 6.069 -1.577 314 HG12 VAL 45 2HG1 VAL 45 21.163 6.224 -0.553 315 HG13 VAL 45 3HG1 VAL 45 21.010 6.338 -2.306 316 HG21 VAL 45 1HG2 VAL 45 23.940 8.109 -0.886 317 HG22 VAL 45 2HG2 VAL 45 23.013 9.463 -0.239 318 HG23 VAL 45 3HG2 VAL 45 22.869 7.866 0.494 319 H SER 46 H SER 46 22.156 7.844 -5.183 320 HA SER 46 HA SER 46 19.239 8.041 -5.489 321 HB2 SER 46 1HB SER 46 20.225 9.351 -7.169 322 HB3 SER 46 2HB SER 46 21.519 8.185 -7.448 323 HG SER 46 HG SER 46 19.920 6.773 -8.320 324 H TRP 47 H TRP 47 18.056 6.256 -5.674 325 HA TRP 47 HA TRP 47 19.397 3.750 -6.440 326 HB2 TRP 47 1HB TRP 47 18.073 2.535 -4.795 327 HB3 TRP 47 2HB TRP 47 19.004 3.801 -4.001 328 HD1 TRP 47 HD TRP 47 15.428 2.755 -4.782 329 HE1 TRP 47 1HE TRP 47 13.812 4.234 -3.430 330 HE3 TRP 47 3HE TRP 47 18.777 6.161 -2.960 331 HZ2 TRP 47 2HZ TRP 47 13.941 6.539 -1.806 332 HZ3 TRP 47 3HZ TRP 47 17.949 7.972 -1.515 333 HH2 TRP 47 HH TRP 47 15.581 8.156 -0.952 334 H THR 48 H THR 48 17.385 2.028 -6.621 335 HA THR 48 HA THR 48 15.237 3.260 -8.179 336 HB THR 48 HB THR 48 15.652 1.207 -9.816 337 HG1 THR 48 1HG THR 48 18.163 1.736 -8.612 338 HG21 THR 48 1HG2 THR 48 17.225 3.783 -9.959 339 HG22 THR 48 2HG2 THR 48 15.550 3.571 -10.470 340 HG23 THR 48 3HG2 THR 48 16.844 2.723 -11.316 341 HA PRO 49 HA PRO 49 12.660 0.200 -6.374 342 HB2 PRO 49 1HB PRO 49 10.913 -0.342 -8.380 343 HB3 PRO 49 2HB PRO 49 10.895 1.177 -7.475 344 HG2 PRO 49 1HG PRO 49 12.075 0.587 -10.162 345 HG3 PRO 49 2HG PRO 49 11.136 1.997 -9.637 346 HD2 PRO 49 1HD PRO 49 13.836 2.039 -9.843 347 HD3 PRO 49 2HD PRO 49 12.955 2.992 -8.630 348 HA PRO 50 HA PRO 50 13.969 -3.874 -7.394 349 HB2 PRO 50 1HB PRO 50 11.830 -5.343 -6.598 350 HB3 PRO 50 2HB PRO 50 12.938 -4.567 -5.461 351 HG2 PRO 50 1HG PRO 50 10.251 -3.651 -6.410 352 HG3 PRO 50 2HG PRO 50 10.927 -3.627 -4.771 353 HD2 PRO 50 1HD PRO 50 10.851 -1.427 -6.348 354 HD3 PRO 50 2HD PRO 50 12.145 -1.711 -5.166 355 H GLU 51 H GLU 51 14.101 -4.903 -9.282 356 HA GLU 51 HA GLU 51 12.809 -4.450 -11.569 357 HB2 GLU 51 1HB GLU 51 14.626 -6.282 -10.860 358 HB3 GLU 51 2HB GLU 51 13.233 -7.342 -11.024 359 HG2 GLU 51 1HG GLU 51 12.999 -6.010 -13.316 360 HG3 GLU 51 2HG GLU 51 14.738 -5.847 -13.083 361 H ASN 52 H ASN 52 11.615 -6.585 -9.022 362 HA ASN 52 HA ASN 52 9.184 -7.132 -10.533 363 HB2 ASN 52 1HB ASN 52 10.468 -8.873 -9.142 364 HB3 ASN 52 2HB ASN 52 9.772 -8.077 -7.734 365 HD21 ASN 52 1HD2 ASN 52 8.985 -10.403 -7.604 366 HD22 ASN 52 2HD2 ASN 52 7.440 -10.721 -8.309 367 H GLN 53 H GLN 53 7.748 -5.517 -10.507 368 HA GLN 53 HA GLN 53 7.473 -3.734 -8.274 369 HB2 GLN 53 1HB GLN 53 6.076 -4.038 -10.913 370 HB3 GLN 53 2HB GLN 53 5.430 -2.965 -9.680 371 HG2 GLN 53 1HG GLN 53 8.295 -2.696 -10.401 372 HG3 GLN 53 2HG GLN 53 7.087 -2.115 -11.545 373 HE21 GLN 53 1HE2 GLN 53 8.406 -1.750 -8.335 374 HE22 GLN 53 2HE2 GLN 53 7.759 -0.177 -8.034 375 H ASN 54 H ASN 54 5.804 -6.559 -9.484 376 HA ASN 54 HA ASN 54 3.358 -6.528 -8.373 377 HB2 ASN 54 1HB ASN 54 5.386 -8.694 -8.658 378 HB3 ASN 54 2HB ASN 54 3.953 -9.035 -7.692 379 HD21 ASN 54 1HD2 ASN 54 4.902 -7.671 -10.820 380 HD22 ASN 54 2HD2 ASN 54 3.574 -8.331 -11.705 381 H ILE 55 H ILE 55 6.366 -7.114 -6.599 382 HA ILE 55 HA ILE 55 5.134 -7.574 -4.087 383 HB ILE 55 HB ILE 55 7.937 -6.581 -4.609 384 HG12 ILE 55 1HG1 ILE 55 7.007 -9.434 -4.249 385 HG13 ILE 55 2HG1 ILE 55 7.307 -8.700 -5.821 386 HG21 ILE 55 1HG2 ILE 55 7.706 -6.320 -2.350 387 HG22 ILE 55 2HG2 ILE 55 6.503 -7.601 -2.214 388 HG23 ILE 55 3HG2 ILE 55 8.207 -8.010 -2.410 389 HD11 ILE 55 1HD1 ILE 55 9.632 -8.167 -4.528 390 HD12 ILE 55 2HD1 ILE 55 9.183 -9.723 -3.829 391 HD13 ILE 55 3HD1 ILE 55 9.352 -9.556 -5.577 392 H VAL 56 H VAL 56 4.229 -6.182 -2.729 393 HA VAL 56 HA VAL 56 4.046 -3.417 -3.279 394 HB VAL 56 HB VAL 56 3.402 -4.930 -0.745 395 HG11 VAL 56 1HG1 VAL 56 1.854 -2.831 -0.493 396 HG12 VAL 56 2HG1 VAL 56 3.535 -2.774 0.041 397 HG13 VAL 56 3HG1 VAL 56 3.075 -2.066 -1.508 398 HG21 VAL 56 1HG2 VAL 56 1.084 -4.767 -1.533 399 HG22 VAL 56 2HG2 VAL 56 1.647 -3.991 -3.014 400 HG23 VAL 56 3HG2 VAL 56 2.098 -5.660 -2.667 401 H VAL 57 H VAL 57 5.108 -1.673 -2.471 402 HA VAL 57 HA VAL 57 7.265 -2.164 -0.529 403 HB VAL 57 HB VAL 57 7.459 -0.465 -3.020 404 HG11 VAL 57 1HG1 VAL 57 8.562 0.453 -0.927 405 HG12 VAL 57 2HG1 VAL 57 9.636 -0.946 -1.001 406 HG13 VAL 57 3HG1 VAL 57 9.608 0.217 -2.328 407 HG21 VAL 57 1HG2 VAL 57 9.007 -2.924 -2.210 408 HG22 VAL 57 2HG2 VAL 57 7.689 -2.897 -3.382 409 HG23 VAL 57 3HG2 VAL 57 9.182 -2.017 -3.713 410 H ARG 58 H ARG 58 6.616 -1.127 1.249 411 HA ARG 58 HA ARG 58 4.975 1.215 1.176 412 HB2 ARG 58 1HB ARG 58 6.410 -0.215 3.412 413 HB3 ARG 58 2HB ARG 58 5.439 1.228 3.671 414 HG2 ARG 58 1HG ARG 58 4.312 -1.205 2.332 415 HG3 ARG 58 2HG ARG 58 4.345 -1.036 4.089 416 HD2 ARG 58 1HD ARG 58 2.881 0.769 4.067 417 HD3 ARG 58 2HD ARG 58 3.205 1.135 2.373 418 HE ARG 58 HE ARG 58 2.049 -1.359 2.382 419 HH11 ARG 58 2HH1 ARG 58 1.164 1.831 3.458 420 HH12 ARG 58 1HH1 ARG 58 -0.534 1.584 3.213 421 HH21 ARG 58 2HH2 ARG 58 -0.183 -1.696 2.055 422 HH22 ARG 58 1HH2 ARG 58 -1.299 -0.423 2.416 423 H GLY 59 H GLY 59 8.400 0.567 1.524 424 HA2 GLY 59 1HA GLY 59 9.177 3.151 0.755 425 HA3 GLY 59 2HA GLY 59 9.216 3.072 2.511 426 H TYR 60 H TYR 60 11.544 3.570 1.959 427 HA TYR 60 HA TYR 60 13.009 1.031 1.805 428 HB2 TYR 60 1HB TYR 60 13.975 3.542 0.438 429 HB3 TYR 60 2HB TYR 60 14.648 1.920 0.315 430 HD1 TYR 60 2HD TYR 60 11.828 4.080 -0.673 431 HD2 TYR 60 1HD TYR 60 13.742 0.318 -1.209 432 HE1 TYR 60 2HE TYR 60 10.435 3.661 -2.657 433 HE2 TYR 60 1HE TYR 60 12.355 -0.111 -3.195 434 HH TYR 60 HH TYR 60 11.008 1.791 -4.943 435 H ALA 61 H ALA 61 15.031 1.015 2.885 436 HA ALA 61 HA ALA 61 15.363 3.215 4.820 437 HB1 ALA 61 1HB ALA 61 16.030 0.306 5.251 438 HB2 ALA 61 2HB ALA 61 16.164 1.607 6.435 439 HB3 ALA 61 3HB ALA 61 14.578 1.112 5.845 440 H ILE 62 H ILE 62 17.207 4.300 4.674 441 HA ILE 62 HA ILE 62 19.451 3.064 3.226 442 HB ILE 62 HB ILE 62 18.906 5.996 3.709 443 HG12 ILE 62 1HG1 ILE 62 18.832 4.581 1.054 444 HG13 ILE 62 2HG1 ILE 62 17.404 4.659 2.081 445 HG21 ILE 62 1HG2 ILE 62 20.913 4.884 1.786 446 HG22 ILE 62 2HG2 ILE 62 20.816 6.499 2.487 447 HG23 ILE 62 3HG2 ILE 62 21.327 5.135 3.481 448 HD11 ILE 62 1HD1 ILE 62 17.587 6.407 0.281 449 HD12 ILE 62 2HD1 ILE 62 17.299 7.006 1.915 450 HD13 ILE 62 3HD1 ILE 62 18.914 7.102 1.212 451 H GLY 63 H GLY 63 21.481 3.001 4.108 452 HA2 GLY 63 1HA GLY 63 21.814 4.131 6.809 453 HA3 GLY 63 2HA GLY 63 22.202 2.444 6.506 454 H TYR 64 H TYR 64 23.552 5.373 6.902 455 HA TYR 64 HA TYR 64 25.802 4.767 5.098 456 HB2 TYR 64 1HB TYR 64 26.346 7.201 5.253 457 HB3 TYR 64 2HB TYR 64 24.802 6.869 4.477 458 HD1 TYR 64 1HD TYR 64 22.710 6.952 6.055 459 HD2 TYR 64 2HD TYR 64 26.444 8.792 6.934 460 HE1 TYR 64 1HE TYR 64 21.585 8.464 7.635 461 HE2 TYR 64 2HE TYR 64 25.330 10.309 8.518 462 HH TYR 64 HH TYR 64 23.001 11.233 8.852 463 H GLY 65 H GLY 65 27.922 5.743 5.954 464 HA2 GLY 65 1HA GLY 65 28.700 6.426 8.387 465 HA3 GLY 65 2HA GLY 65 28.255 4.751 8.681 466 H ILE 66 H ILE 66 30.827 6.623 8.244 467 HA ILE 66 HA ILE 66 32.418 5.609 6.259 468 HB ILE 66 HB ILE 66 33.297 6.299 9.065 469 HG12 ILE 66 1HG1 ILE 66 33.566 8.099 6.686 470 HG13 ILE 66 2HG1 ILE 66 32.020 8.001 7.522 471 HG21 ILE 66 1HG2 ILE 66 35.040 6.514 6.651 472 HG22 ILE 66 2HG2 ILE 66 35.487 6.346 8.348 473 HG23 ILE 66 3HG2 ILE 66 34.854 4.959 7.462 474 HD11 ILE 66 1HD1 ILE 66 32.945 9.737 8.645 475 HD12 ILE 66 2HD1 ILE 66 33.561 8.412 9.632 476 HD13 ILE 66 3HD1 ILE 66 34.594 9.157 8.413 477 H GLY 67 H GLY 67 32.970 3.606 5.733 478 HA2 GLY 67 1HA GLY 67 33.801 1.463 5.955 479 HA3 GLY 67 2HA GLY 67 34.057 1.788 7.663 480 H SER 68 H SER 68 31.750 2.126 8.800 481 HA SER 68 HA SER 68 30.156 -0.240 8.058 482 HB2 SER 68 1HB SER 68 31.059 0.807 10.710 483 HB3 SER 68 2HB SER 68 29.519 -0.048 10.618 484 HG SER 68 HG SER 68 32.038 -1.035 10.548 485 HA PRO 69 HA PRO 69 26.956 2.794 7.398 486 HB2 PRO 69 1HB PRO 69 25.044 1.011 6.668 487 HB3 PRO 69 2HB PRO 69 26.342 1.525 5.584 488 HG2 PRO 69 1HG PRO 69 26.126 -0.964 7.233 489 HG3 PRO 69 2HG PRO 69 26.681 -0.776 5.559 490 HD2 PRO 69 1HD PRO 69 28.393 -1.037 7.641 491 HD3 PRO 69 2HD PRO 69 28.780 -0.073 6.201 492 H HIS 70 H HIS 70 27.310 0.654 9.890 493 HA HIS 70 HA HIS 70 24.641 0.806 10.978 494 HB2 HIS 70 1HB HIS 70 27.210 -0.152 12.257 495 HB3 HIS 70 2HB HIS 70 25.589 -0.380 12.906 496 HD1 HIS 70 1HD HIS 70 24.925 -2.731 12.594 497 HD2 HIS 70 2HD HIS 70 27.089 -1.305 9.347 498 HE1 HIS 70 1HE HIS 70 25.002 -4.632 10.950 499 HE2 HIS 70 2HE HIS 70 26.388 -3.775 9.030 500 H ALA 71 H ALA 71 25.543 3.349 10.465 501 HA ALA 71 HA ALA 71 26.244 4.427 13.111 502 HB1 ALA 71 1HB ALA 71 27.221 6.266 12.083 503 HB2 ALA 71 2HB ALA 71 27.649 4.935 11.008 504 HB3 ALA 71 3HB ALA 71 26.330 6.025 10.580 505 H GLN 72 H GLN 72 24.203 5.197 10.287 506 HA GLN 72 HA GLN 72 22.061 5.994 12.098 507 HB2 GLN 72 1HB GLN 72 23.523 7.818 10.254 508 HB3 GLN 72 2HB GLN 72 21.781 8.018 10.391 509 HG2 GLN 72 1HG GLN 72 21.898 8.584 12.644 510 HG3 GLN 72 2HG GLN 72 23.517 7.909 12.825 511 HE21 GLN 72 1HE2 GLN 72 25.275 9.034 11.780 512 HE22 GLN 72 2HE2 GLN 72 25.184 10.746 11.567 513 H THR 73 H THR 73 19.997 5.862 11.206 514 HA THR 73 HA THR 73 19.870 4.625 8.532 515 HB THR 73 HB THR 73 17.970 4.076 10.816 516 HG1 THR 73 1HG THR 73 19.137 1.962 10.705 517 HG21 THR 73 1HG2 THR 73 18.150 3.246 7.985 518 HG22 THR 73 2HG2 THR 73 16.739 3.411 9.031 519 HG23 THR 73 3HG2 THR 73 17.759 1.977 9.144 520 H ILE 74 H ILE 74 18.442 5.437 7.094 521 HA ILE 74 HA ILE 74 16.528 7.462 8.044 522 HB ILE 74 HB ILE 74 18.128 7.670 5.492 523 HG12 ILE 74 1HG1 ILE 74 18.425 9.113 8.133 524 HG13 ILE 74 2HG1 ILE 74 19.598 8.038 7.380 525 HG21 ILE 74 1HG2 ILE 74 15.820 9.104 6.593 526 HG22 ILE 74 2HG2 ILE 74 17.121 10.140 6.009 527 HG23 ILE 74 3HG2 ILE 74 16.380 8.961 4.927 528 HD11 ILE 74 1HD1 ILE 74 19.211 10.860 7.030 529 HD12 ILE 74 2HD1 ILE 74 20.535 9.829 6.487 530 HD13 ILE 74 3HD1 ILE 74 19.096 10.018 5.485 531 H LYS 75 H LYS 75 14.591 6.570 7.741 532 HA LYS 75 HA LYS 75 14.111 4.952 5.344 533 HB2 LYS 75 1HB LYS 75 12.840 5.133 8.037 534 HB3 LYS 75 2HB LYS 75 11.845 4.617 6.682 535 HG2 LYS 75 1HG LYS 75 13.394 2.795 6.222 536 HG3 LYS 75 2HG LYS 75 14.417 3.320 7.561 537 HD2 LYS 75 1HD LYS 75 11.532 2.726 8.058 538 HD3 LYS 75 2HD LYS 75 12.678 1.393 7.898 539 HE2 LYS 75 1HE LYS 75 13.786 1.936 9.825 540 HE3 LYS 75 2HE LYS 75 13.390 3.649 9.699 541 HZ1 LYS 75 1HZ LYS 75 11.281 1.661 10.241 542 HZ2 LYS 75 2HZ LYS 75 11.297 3.315 10.591 543 HZ3 LYS 75 3HZ LYS 75 12.247 2.249 11.499 544 H VAL 76 H VAL 76 13.352 6.022 3.646 545 HA VAL 76 HA VAL 76 11.559 8.312 4.096 546 HB VAL 76 HB VAL 76 12.129 9.017 1.803 547 HG11 VAL 76 1HG1 VAL 76 14.020 8.839 4.025 548 HG12 VAL 76 2HG1 VAL 76 14.781 9.128 2.460 549 HG13 VAL 76 3HG1 VAL 76 13.538 10.229 3.054 550 HG21 VAL 76 1HG2 VAL 76 13.060 6.384 1.560 551 HG22 VAL 76 2HG2 VAL 76 13.127 7.663 0.348 552 HG23 VAL 76 3HG2 VAL 76 14.487 7.415 1.443 553 H ASP 77 H ASP 77 9.781 8.605 2.590 554 HA ASP 77 HA ASP 77 8.098 6.427 2.388 555 HB2 ASP 77 1HB ASP 77 8.146 8.953 0.726 556 HB3 ASP 77 2HB ASP 77 6.813 7.801 0.733 557 H TYR 78 H TYR 78 7.088 5.854 0.085 558 HA TYR 78 HA TYR 78 9.194 4.433 -1.292 559 HB2 TYR 78 1HB TYR 78 7.314 3.437 -2.590 560 HB3 TYR 78 2HB TYR 78 7.140 3.241 -0.849 561 HD1 TYR 78 1HD TYR 78 5.928 5.136 -3.782 562 HD2 TYR 78 2HD TYR 78 5.290 4.175 0.314 563 HE1 TYR 78 1HE TYR 78 3.694 6.158 -3.897 564 HE2 TYR 78 2HE TYR 78 3.053 5.194 0.210 565 HH TYR 78 HH TYR 78 1.455 5.988 -1.180 566 H LYS 79 H LYS 79 7.366 7.314 -1.727 567 HA LYS 79 HA LYS 79 7.817 7.493 -4.574 568 HB2 LYS 79 1HB LYS 79 6.455 9.144 -2.509 569 HB3 LYS 79 2HB LYS 79 7.029 9.972 -3.950 570 HG2 LYS 79 1HG LYS 79 5.446 7.484 -4.300 571 HG3 LYS 79 2HG LYS 79 4.604 8.955 -3.807 572 HD2 LYS 79 1HD LYS 79 5.968 10.020 -5.780 573 HD3 LYS 79 2HD LYS 79 6.054 8.350 -6.345 574 HE2 LYS 79 1HE LYS 79 3.578 8.227 -6.172 575 HE3 LYS 79 2HE LYS 79 3.559 9.940 -5.756 576 HZ1 LYS 79 1HZ LYS 79 4.260 10.541 -7.868 577 HZ2 LYS 79 2HZ LYS 79 3.177 9.280 -8.180 578 HZ3 LYS 79 3HZ LYS 79 4.843 8.997 -8.241 579 H GLN 80 H GLN 80 10.202 7.142 -3.126 580 HA GLN 80 HA GLN 80 11.524 9.724 -3.634 581 HB2 GLN 80 1HB GLN 80 12.333 7.733 -1.511 582 HB3 GLN 80 2HB GLN 80 13.048 9.313 -1.803 583 HG2 GLN 80 1HG GLN 80 10.525 8.590 -0.441 584 HG3 GLN 80 2HG GLN 80 11.712 9.834 -0.051 585 HE21 GLN 80 1HE2 GLN 80 11.862 11.370 -2.197 586 HE22 GLN 80 2HE2 GLN 80 10.333 12.074 -2.587 587 H ARG 81 H ARG 81 12.981 9.622 -5.201 588 HA ARG 81 HA ARG 81 13.911 7.020 -6.124 589 HB2 ARG 81 1HB ARG 81 13.026 8.958 -7.611 590 HB3 ARG 81 2HB ARG 81 14.630 9.645 -7.390 591 HG2 ARG 81 1HG ARG 81 14.361 6.825 -8.318 592 HG3 ARG 81 2HG ARG 81 14.107 8.150 -9.456 593 HD2 ARG 81 1HD ARG 81 16.532 8.169 -7.721 594 HD3 ARG 81 2HD ARG 81 16.488 7.095 -9.118 595 HE ARG 81 HE ARG 81 16.699 9.969 -9.139 596 HH11 ARG 81 2HH1 ARG 81 15.845 7.124 -10.953 597 HH12 ARG 81 1HH1 ARG 81 16.090 7.874 -12.495 598 HH21 ARG 81 2HH2 ARG 81 17.025 10.969 -11.163 599 HH22 ARG 81 1HH2 ARG 81 16.762 10.061 -12.614 600 H TYR 82 H TYR 82 15.133 9.957 -4.654 601 HA TYR 82 HA TYR 82 17.611 8.578 -4.003 602 HB2 TYR 82 1HB TYR 82 19.056 10.305 -4.854 603 HB3 TYR 82 2HB TYR 82 18.020 9.761 -6.169 604 HD1 TYR 82 2HD TYR 82 15.763 11.170 -6.399 605 HD2 TYR 82 1HD TYR 82 19.349 12.576 -4.592 606 HE1 TYR 82 2HE TYR 82 15.050 13.489 -6.801 607 HE2 TYR 82 1HE TYR 82 18.645 14.899 -4.988 608 HH TYR 82 HH TYR 82 15.466 15.713 -5.971 609 H TYR 83 H TYR 83 18.985 9.989 -2.524 610 HA TYR 83 HA TYR 83 17.388 11.868 -0.949 611 HB2 TYR 83 1HB TYR 83 17.205 9.530 0.020 612 HB3 TYR 83 2HB TYR 83 18.928 9.629 0.367 613 HD1 TYR 83 1HD TYR 83 15.616 11.027 1.185 614 HD2 TYR 83 2HD TYR 83 19.748 10.934 2.197 615 HE1 TYR 83 1HE TYR 83 15.115 12.162 3.309 616 HE2 TYR 83 2HE TYR 83 19.258 12.068 4.324 617 HH TYR 83 HH TYR 83 16.964 13.768 5.016 618 H THR 84 H THR 84 18.521 13.609 -0.388 619 HA THR 84 HA THR 84 21.381 13.652 -0.938 620 HB THR 84 HB THR 84 19.560 15.932 -0.142 621 HG1 THR 84 1HG THR 84 19.445 14.655 -2.337 622 HG21 THR 84 1HG2 THR 84 22.422 15.780 -1.037 623 HG22 THR 84 2HG2 THR 84 21.737 16.634 0.345 624 HG23 THR 84 3HG2 THR 84 21.462 17.236 -1.289 625 H ILE 85 H ILE 85 22.535 12.809 0.707 626 HA ILE 85 HA ILE 85 21.818 13.346 3.464 627 HB ILE 85 HB ILE 85 24.206 11.855 2.371 628 HG12 ILE 85 1HG1 ILE 85 21.645 10.713 3.498 629 HG13 ILE 85 2HG1 ILE 85 21.941 10.909 1.774 630 HG21 ILE 85 1HG2 ILE 85 24.519 12.682 4.652 631 HG22 ILE 85 2HG2 ILE 85 23.018 11.899 5.141 632 HG23 ILE 85 3HG2 ILE 85 24.390 10.924 4.615 633 HD11 ILE 85 1HD1 ILE 85 23.738 9.308 3.567 634 HD12 ILE 85 2HD1 ILE 85 22.359 8.620 2.710 635 HD13 ILE 85 3HD1 ILE 85 23.695 9.330 1.804 636 H GLU 86 H GLU 86 22.276 15.341 4.168 637 HA GLU 86 HA GLU 86 24.853 16.544 3.438 638 HB2 GLU 86 1HB GLU 86 22.316 17.746 4.545 639 HB3 GLU 86 2HB GLU 86 23.819 18.644 4.388 640 HG2 GLU 86 1HG GLU 86 23.785 18.143 1.951 641 HG3 GLU 86 2HG GLU 86 22.188 17.431 2.173 642 H ASN 87 H ASN 87 25.697 18.052 5.278 643 HA ASN 87 HA ASN 87 26.524 18.315 7.392 644 HB2 ASN 87 1HB ASN 87 24.701 16.117 8.355 645 HB3 ASN 87 2HB ASN 87 25.371 17.462 9.274 646 HD21 ASN 87 1HD2 ASN 87 22.735 16.323 7.537 647 HD22 ASN 87 2HD2 ASN 87 21.838 17.796 7.439 648 H LEU 88 H LEU 88 27.866 16.753 5.583 649 HA LEU 88 HA LEU 88 28.968 14.609 7.278 650 HB2 LEU 88 1HB LEU 88 28.881 14.706 4.266 651 HB3 LEU 88 2HB LEU 88 29.585 13.418 5.242 652 HG LEU 88 HG LEU 88 26.658 14.140 5.264 653 HD11 LEU 88 1HD1 LEU 88 26.309 12.186 3.867 654 HD12 LEU 88 2HD1 LEU 88 28.049 11.914 3.781 655 HD13 LEU 88 3HD1 LEU 88 27.345 13.355 3.047 656 HD21 LEU 88 1HD2 LEU 88 27.913 12.881 7.202 657 HD22 LEU 88 2HD2 LEU 88 27.787 11.513 6.096 658 HD23 LEU 88 3HD2 LEU 88 26.329 12.342 6.644 659 H ASP 89 H ASP 89 31.257 14.200 7.038 660 HA ASP 89 HA ASP 89 32.738 16.675 6.691 661 HB2 ASP 89 1HB ASP 89 33.294 15.472 8.668 662 HB3 ASP 89 2HB ASP 89 33.472 13.960 7.781 663 HA PRO 90 HA PRO 90 34.017 15.635 2.582 664 HB2 PRO 90 1HB PRO 90 35.908 17.566 2.328 665 HB3 PRO 90 2HB PRO 90 34.175 17.901 2.234 666 HG2 PRO 90 1HG PRO 90 36.051 18.256 4.540 667 HG3 PRO 90 2HG PRO 90 34.773 19.340 3.959 668 HD2 PRO 90 1HD PRO 90 34.440 17.707 6.093 669 HD3 PRO 90 2HD PRO 90 33.106 18.140 5.004 670 H SER 91 H SER 91 35.639 14.479 1.616 671 HA SER 91 HA SER 91 37.602 13.338 1.350 672 HB2 SER 91 1HB SER 91 38.627 15.482 2.312 673 HB3 SER 91 2HB SER 91 38.662 14.637 3.859 674 HG SER 91 HG SER 91 40.176 14.224 1.566 675 H SER 92 H SER 92 35.628 11.935 2.332 676 HA SER 92 HA SER 92 36.924 10.029 4.055 677 HB2 SER 92 1HB SER 92 34.929 10.048 5.676 678 HB3 SER 92 2HB SER 92 36.116 11.342 5.844 679 HG SER 92 HG SER 92 34.134 12.307 5.858 680 H HIS 93 H HIS 93 36.323 8.042 3.478 681 HA HIS 93 HA HIS 93 34.278 7.699 1.486 682 HB2 HIS 93 1HB HIS 93 36.105 6.306 1.105 683 HB3 HIS 93 2HB HIS 93 36.277 5.898 2.810 684 HD1 HIS 93 1HD HIS 93 35.760 3.516 3.148 685 HD2 HIS 93 2HD HIS 93 33.307 5.220 0.260 686 HE1 HIS 93 1HE HIS 93 34.209 1.678 2.413 687 HE2 HIS 93 2HE HIS 93 32.791 2.709 0.605 688 H TYR 94 H TYR 94 32.220 7.167 1.803 689 HA TYR 94 HA TYR 94 31.441 6.145 4.456 690 HB2 TYR 94 1HB TYR 94 30.172 8.163 2.651 691 HB3 TYR 94 2HB TYR 94 29.142 7.188 3.693 692 HD1 TYR 94 2HD TYR 94 31.767 9.757 3.615 693 HD2 TYR 94 1HD TYR 94 29.127 7.509 6.081 694 HE1 TYR 94 2HE TYR 94 32.225 11.284 5.487 695 HE2 TYR 94 1HE TYR 94 29.577 9.032 7.960 696 HH TYR 94 HH TYR 94 30.946 10.675 8.712 697 H VAL 95 H VAL 95 30.153 4.375 4.572 698 HA VAL 95 HA VAL 95 29.693 2.930 2.073 699 HB VAL 95 HB VAL 95 29.475 1.982 4.934 700 HG11 VAL 95 1HG1 VAL 95 29.346 -0.267 3.960 701 HG12 VAL 95 2HG1 VAL 95 27.983 0.740 3.467 702 HG13 VAL 95 3HG1 VAL 95 29.311 0.441 2.345 703 HG21 VAL 95 1HG2 VAL 95 31.729 2.391 3.253 704 HG22 VAL 95 2HG2 VAL 95 31.677 1.697 4.873 705 HG23 VAL 95 3HG2 VAL 95 31.505 0.654 3.461 706 H ILE 96 H ILE 96 27.828 3.599 1.160 707 HA ILE 96 HA ILE 96 25.465 4.037 2.804 708 HB ILE 96 HB ILE 96 25.951 4.400 -0.152 709 HG12 ILE 96 1HG1 ILE 96 25.270 6.825 0.741 710 HG13 ILE 96 2HG1 ILE 96 25.922 6.173 2.240 711 HG21 ILE 96 1HG2 ILE 96 23.585 5.699 0.558 712 HG22 ILE 96 2HG2 ILE 96 23.754 4.264 -0.452 713 HG23 ILE 96 3HG2 ILE 96 23.473 4.095 1.281 714 HD11 ILE 96 1HD1 ILE 96 27.852 6.981 1.448 715 HD12 ILE 96 2HD1 ILE 96 27.874 5.491 0.505 716 HD13 ILE 96 3HD1 ILE 96 27.287 6.986 -0.223 717 H THR 97 H THR 97 23.678 2.765 2.834 718 HA THR 97 HA THR 97 23.648 0.385 1.107 719 HB THR 97 HB THR 97 22.743 -0.924 3.052 720 HG1 THR 97 1HG THR 97 22.263 0.285 4.726 721 HG21 THR 97 1HG2 THR 97 25.427 -0.066 3.942 722 HG22 THR 97 2HG2 THR 97 25.296 -0.581 2.260 723 HG23 THR 97 3HG2 THR 97 24.820 -1.676 3.558 724 H LEU 98 H LEU 98 21.559 -0.534 0.747 725 HA LEU 98 HA LEU 98 19.250 1.018 1.622 726 HB2 LEU 98 1HB LEU 98 19.775 2.150 -0.391 727 HB3 LEU 98 2HB LEU 98 20.070 0.637 -1.245 728 HG LEU 98 HG LEU 98 17.494 0.272 -0.666 729 HD11 LEU 98 1HD1 LEU 98 16.683 2.790 -1.329 730 HD12 LEU 98 2HD1 LEU 98 17.996 3.114 -0.197 731 HD13 LEU 98 3HD1 LEU 98 16.638 2.101 0.294 732 HD21 LEU 98 1HD2 LEU 98 18.548 1.947 -2.943 733 HD22 LEU 98 2HD2 LEU 98 16.985 1.130 -2.907 734 HD23 LEU 98 3HD2 LEU 98 18.475 0.186 -2.889 735 H LYS 99 H LYS 99 17.547 -0.244 2.045 736 HA LYS 99 HA LYS 99 17.405 -2.902 0.806 737 HB2 LYS 99 1HB LYS 99 16.796 -3.906 2.956 738 HB3 LYS 99 2HB LYS 99 18.403 -3.196 3.019 739 HG2 LYS 99 1HG LYS 99 17.662 -1.376 4.313 740 HG3 LYS 99 2HG LYS 99 15.965 -1.736 3.987 741 HD2 LYS 99 1HD LYS 99 16.152 -2.614 6.090 742 HD3 LYS 99 2HD LYS 99 16.598 -4.030 5.136 743 HE2 LYS 99 1HE LYS 99 18.996 -3.299 5.390 744 HE3 LYS 99 2HE LYS 99 18.428 -2.106 6.557 745 HZ1 LYS 99 1HZ LYS 99 18.295 -3.652 8.124 746 HZ2 LYS 99 2HZ LYS 99 19.101 -4.711 7.080 747 HZ3 LYS 99 3HZ LYS 99 17.410 -4.702 7.135 748 H ALA 100 H ALA 100 15.418 -3.476 0.143 749 HA ALA 100 HA ALA 100 13.272 -1.555 0.437 750 HB1 ALA 100 1HB ALA 100 13.741 -3.968 -1.249 751 HB2 ALA 100 2HB ALA 100 12.091 -3.385 -1.022 752 HB3 ALA 100 3HB ALA 100 13.312 -2.324 -1.725 753 H PHE 101 H PHE 101 11.574 -1.714 1.763 754 HA PHE 101 HA PHE 101 11.008 -4.302 3.034 755 HB2 PHE 101 1HB PHE 101 10.794 -3.312 5.199 756 HB3 PHE 101 2HB PHE 101 12.345 -2.791 4.549 757 HD1 PHE 101 2HD PHE 101 12.603 -0.481 3.686 758 HD2 PHE 101 1HD PHE 101 9.090 -1.760 5.721 759 HE1 PHE 101 2HE PHE 101 11.976 1.867 4.072 760 HE2 PHE 101 1HE PHE 101 8.457 0.586 6.109 761 HZ PHE 101 HZ PHE 101 9.901 2.403 5.285 762 H ASN 102 H ASN 102 8.836 -4.312 4.114 763 HA ASN 102 HA ASN 102 6.889 -2.371 3.345 764 HB2 ASN 102 1HB ASN 102 5.608 -3.651 1.782 765 HB3 ASN 102 2HB ASN 102 7.270 -3.640 1.199 766 HD21 ASN 102 1HD2 ASN 102 5.333 -5.511 0.432 767 HD22 ASN 102 2HD2 ASN 102 5.829 -7.067 0.996 768 H ASN 103 H ASN 103 4.572 -3.488 3.675 769 HA ASN 103 HA ASN 103 4.237 -3.979 6.338 770 HB2 ASN 103 1HB ASN 103 2.557 -5.140 4.103 771 HB3 ASN 103 2HB ASN 103 2.049 -4.949 5.779 772 HD21 ASN 103 1HD2 ASN 103 2.027 -2.738 6.630 773 HD22 ASN 103 2HD2 ASN 103 1.594 -1.450 5.562 774 H VAL 104 H VAL 104 5.078 -6.282 3.833 775 HA VAL 104 HA VAL 104 4.658 -8.643 5.329 776 HB VAL 104 HB VAL 104 6.655 -8.248 3.099 777 HG11 VAL 104 1HG1 VAL 104 5.953 -10.491 4.709 778 HG12 VAL 104 2HG1 VAL 104 5.421 -10.790 3.053 779 HG13 VAL 104 3HG1 VAL 104 7.110 -10.401 3.382 780 HG21 VAL 104 1HG2 VAL 104 4.456 -7.467 2.402 781 HG22 VAL 104 2HG2 VAL 104 4.867 -8.976 1.588 782 HG23 VAL 104 3HG2 VAL 104 3.733 -8.984 2.938 783 H GLY 105 H GLY 105 7.576 -6.691 4.746 784 HA2 GLY 105 1HA GLY 105 8.670 -6.982 7.273 785 HA3 GLY 105 2HA GLY 105 9.282 -8.330 6.326 786 H GLU 106 H GLU 106 11.320 -7.891 5.804 787 HA GLU 106 HA GLU 106 11.886 -5.293 4.549 788 HB2 GLU 106 1HB GLU 106 13.552 -6.718 6.624 789 HB3 GLU 106 2HB GLU 106 14.164 -5.405 5.629 790 HG2 GLU 106 1HG GLU 106 12.085 -4.125 6.554 791 HG3 GLU 106 2HG GLU 106 12.158 -5.341 7.829 792 H GLY 107 H GLY 107 13.996 -5.354 3.307 793 HA2 GLY 107 1HA GLY 107 14.243 -7.982 1.980 794 HA3 GLY 107 2HA GLY 107 14.393 -6.446 1.141 795 H ILE 108 H ILE 108 16.417 -7.703 0.480 796 HA ILE 108 HA ILE 108 18.542 -7.724 2.447 797 HB ILE 108 HB ILE 108 18.968 -8.147 -0.491 798 HG12 ILE 108 1HG1 ILE 108 16.965 -9.466 0.260 799 HG13 ILE 108 2HG1 ILE 108 18.308 -10.449 -0.312 800 HG21 ILE 108 1HG2 ILE 108 20.330 -8.895 2.048 801 HG22 ILE 108 2HG2 ILE 108 20.506 -9.948 0.646 802 HG23 ILE 108 3HG2 ILE 108 21.007 -8.260 0.549 803 HD11 ILE 108 1HD1 ILE 108 17.223 -10.131 2.434 804 HD12 ILE 108 2HD1 ILE 108 17.705 -11.590 1.567 805 HD13 ILE 108 3HD1 ILE 108 18.932 -10.511 2.229 806 HA PRO 109 HA PRO 109 19.741 -3.536 1.576 807 HB2 PRO 109 1HB PRO 109 22.002 -3.554 3.079 808 HB3 PRO 109 2HB PRO 109 20.384 -3.432 3.780 809 HG2 PRO 109 1HG PRO 109 22.156 -5.830 3.512 810 HG3 PRO 109 2HG PRO 109 21.165 -5.319 4.891 811 HD2 PRO 109 1HD PRO 109 20.378 -7.257 3.171 812 HD3 PRO 109 2HD PRO 109 19.228 -6.171 3.977 813 H LEU 110 H LEU 110 21.521 -2.405 0.578 814 HA LEU 110 HA LEU 110 23.198 -4.176 -1.074 815 HB2 LEU 110 1HB LEU 110 21.944 -1.508 -1.624 816 HB3 LEU 110 2HB LEU 110 23.314 -2.089 -2.569 817 HG LEU 110 HG LEU 110 20.656 -3.499 -2.333 818 HD11 LEU 110 1HD1 LEU 110 20.365 -2.778 -4.689 819 HD12 LEU 110 2HD1 LEU 110 21.784 -1.746 -4.509 820 HD13 LEU 110 3HD1 LEU 110 20.346 -1.446 -3.533 821 HD21 LEU 110 1HD2 LEU 110 23.228 -4.350 -3.240 822 HD22 LEU 110 2HD2 LEU 110 22.123 -4.274 -4.612 823 HD23 LEU 110 3HD2 LEU 110 21.710 -5.247 -3.200 824 H TYR 111 H TYR 111 25.325 -3.354 -1.667 825 HA TYR 111 HA TYR 111 26.453 -1.601 0.417 826 HB2 TYR 111 1HB TYR 111 27.486 -4.136 -0.803 827 HB3 TYR 111 2HB TYR 111 28.622 -2.940 -0.189 828 HD1 TYR 111 2HD TYR 111 25.415 -4.487 0.972 829 HD2 TYR 111 1HD TYR 111 29.409 -3.375 1.926 830 HE1 TYR 111 2HE TYR 111 25.114 -5.378 3.244 831 HE2 TYR 111 1HE TYR 111 29.120 -4.264 4.201 832 HH TYR 111 HH TYR 111 26.215 -6.010 5.135 833 H GLU 112 H GLU 112 27.430 0.191 -0.259 834 HA GLU 112 HA GLU 112 28.506 0.298 -2.984 835 HB2 GLU 112 1HB GLU 112 26.366 2.011 -1.820 836 HB3 GLU 112 2HB GLU 112 27.549 2.780 -2.869 837 HG2 GLU 112 1HG GLU 112 25.656 0.551 -3.545 838 HG3 GLU 112 2HG GLU 112 25.709 2.178 -4.221 839 H SER 113 H SER 113 29.619 2.605 -3.223 840 HA SER 113 HA SER 113 31.006 3.314 -0.744 841 HB2 SER 113 1HB SER 113 33.198 3.247 -1.924 842 HB3 SER 113 2HB SER 113 32.454 1.655 -1.772 843 HG SER 113 HG SER 113 31.777 1.825 -3.925 844 H ALA 114 H ALA 114 31.550 5.434 -0.587 845 HA ALA 114 HA ALA 114 31.754 7.162 -2.860 846 HB1 ALA 114 1HB ALA 114 29.529 8.021 -1.103 847 HB2 ALA 114 2HB ALA 114 29.783 8.289 -2.828 848 HB3 ALA 114 3HB ALA 114 29.198 6.727 -2.254 849 H VAL 115 H VAL 115 33.392 8.416 -2.280 850 HA VAL 115 HA VAL 115 33.598 9.274 0.530 851 HB VAL 115 HB VAL 115 35.574 8.139 0.108 852 HG11 VAL 115 1HG1 VAL 115 36.868 8.324 -1.977 853 HG12 VAL 115 2HG1 VAL 115 35.230 7.729 -2.258 854 HG13 VAL 115 3HG1 VAL 115 35.637 9.405 -2.630 855 HG21 VAL 115 1HG2 VAL 115 36.049 10.362 0.977 856 HG22 VAL 115 2HG2 VAL 115 37.347 9.825 -0.090 857 HG23 VAL 115 3HG2 VAL 115 36.160 10.997 -0.665 858 H THR 116 H THR 116 33.109 11.318 0.932 859 HA THR 116 HA THR 116 32.267 13.236 -0.776 860 HB THR 116 HB THR 116 33.165 14.944 0.909 861 HG1 THR 116 1HG THR 116 33.782 12.589 2.384 862 HG21 THR 116 1HG2 THR 116 31.209 14.666 1.953 863 HG22 THR 116 2HG2 THR 116 31.698 13.100 2.600 864 HG23 THR 116 3HG2 THR 116 30.999 13.208 0.985 865 H ARG 117 H ARG 117 33.231 15.215 -1.601 866 HA ARG 117 HA ARG 117 35.815 14.678 -2.816 867 HB2 ARG 117 1HB ARG 117 33.559 16.547 -3.333 868 HB3 ARG 117 2HB ARG 117 35.162 17.055 -3.847 869 HG2 ARG 117 1HG ARG 117 35.391 15.072 -5.212 870 HG3 ARG 117 2HG ARG 117 33.832 14.474 -4.641 871 HD2 ARG 117 1HD ARG 117 32.900 16.699 -5.556 872 HD3 ARG 117 2HD ARG 117 34.420 16.793 -6.446 873 HE ARG 117 HE ARG 117 32.190 15.132 -7.049 874 HH11 ARG 117 2HH1 ARG 117 35.667 15.273 -7.160 875 HH12 ARG 117 1HH1 ARG 117 35.800 14.170 -8.489 876 HH21 ARG 117 2HH2 ARG 117 32.352 13.678 -8.799 877 HH22 ARG 117 1HH2 ARG 117 33.913 13.264 -9.421 878 HA PRO 118 HA PRO 118 38.255 17.326 -0.310 879 HB2 PRO 118 1HB PRO 118 39.921 18.462 -2.128 880 HB3 PRO 118 2HB PRO 118 40.045 16.768 -1.638 881 HG2 PRO 118 1HG PRO 118 38.771 17.946 -4.077 882 HG3 PRO 118 2HG PRO 118 39.799 16.508 -3.936 883 HD2 PRO 118 1HD PRO 118 37.102 16.357 -4.122 884 HD3 PRO 118 2HD PRO 118 38.063 15.184 -3.199 885 H HIS 119 H HIS 119 37.089 18.965 0.570 886 HA HIS 119 HA HIS 119 35.747 21.001 -0.745 887 HB2 HIS 119 1HB HIS 119 35.838 20.306 1.795 888 HB3 HIS 119 2HB HIS 119 37.060 21.570 1.883 889 HD1 HIS 119 1HD HIS 119 35.780 23.665 0.036 890 HD2 HIS 119 2HD HIS 119 33.705 21.543 2.943 891 HE1 HIS 119 1HE HIS 119 33.768 25.070 0.586 892 HE2 HIS 119 2HE HIS 119 32.573 23.807 2.408 893 H THR 120 H THR 120 36.566 22.380 -2.171 894 HA THR 120 HA THR 120 39.330 23.176 -2.117 895 HB THR 120 HB THR 120 37.077 24.163 -3.879 896 HG1 THR 120 1HG THR 120 38.989 22.078 -4.155 897 HG21 THR 120 1HG2 THR 120 39.035 24.761 -5.390 898 HG22 THR 120 2HG2 THR 120 40.061 24.553 -3.970 899 HG23 THR 120 3HG2 THR 120 38.796 25.782 -3.972 900 H SER 121 H SER 121 40.184 24.956 -1.247 901 HA SER 121 HA SER 121 38.619 26.649 0.416 902 HB2 SER 121 1HB SER 121 40.704 27.825 0.864 903 HB3 SER 121 2HB SER 121 40.994 26.086 0.880 904 HG SER 121 HG SER 121 42.350 26.357 -0.689 905 H GLY 122 H GLY 122 37.907 28.716 0.125 906 HA2 GLY 122 1HA GLY 122 38.003 30.841 -1.034 907 HA3 GLY 122 2HA GLY 122 38.437 29.965 -2.494 908 HA PRO 123 HA PRO 123 33.842 30.918 -2.430 909 HB2 PRO 123 1HB PRO 123 33.812 32.350 -4.737 910 HB3 PRO 123 2HB PRO 123 34.102 33.083 -3.155 911 HG2 PRO 123 1HG PRO 123 36.073 32.279 -5.260 912 HG3 PRO 123 2HG PRO 123 36.030 33.750 -4.271 913 HD2 PRO 123 1HD PRO 123 37.663 31.664 -3.710 914 HD3 PRO 123 2HD PRO 123 36.971 32.701 -2.447 915 H SER 124 H SER 124 32.277 30.408 -4.224 916 HA SER 124 HA SER 124 33.016 27.900 -5.418 917 HB2 SER 124 1HB SER 124 30.649 27.926 -6.259 918 HB3 SER 124 2HB SER 124 30.792 28.101 -4.510 919 HG SER 124 HG SER 124 30.349 30.259 -4.694 920 H SER 125 H SER 125 32.472 27.438 -7.730 921 HA SER 125 HA SER 125 33.290 29.699 -9.435 922 HB2 SER 125 1HB SER 125 35.036 27.990 -9.306 923 HB3 SER 125 2HB SER 125 33.881 26.751 -9.798 924 HG SER 125 HG SER 125 33.967 27.445 -11.810 925 H GLY 126 H GLY 126 32.083 30.177 -11.190 926 HA2 GLY 126 1HA GLY 126 30.672 29.059 -12.996 927 HA3 GLY 126 2HA GLY 126 29.702 28.495 -11.643 Start of MODEL 19 1 H1 GLY 1 H GLY 1 17.823 12.241 20.464 2 HA2 GLY 1 1HA GLY 1 17.085 14.620 21.096 3 HA3 GLY 1 2HA GLY 1 16.154 14.513 19.609 4 H SER 2 H SER 2 14.936 12.211 19.573 5 HA SER 2 HA SER 2 13.085 11.135 20.349 6 HB2 SER 2 1HB SER 2 14.934 10.173 21.809 7 HB3 SER 2 2HB SER 2 14.395 11.284 23.067 8 HG SER 2 HG SER 2 12.260 10.286 22.737 9 H SER 3 H SER 3 12.762 13.879 20.143 10 HA SER 3 HA SER 3 11.177 14.576 22.523 11 HB2 SER 3 1HB SER 3 12.877 16.228 22.093 12 HB3 SER 3 2HB SER 3 12.419 16.329 20.393 13 HG SER 3 HG SER 3 10.651 16.962 22.514 14 H GLY 4 H GLY 4 9.278 13.508 21.999 15 HA2 GLY 4 1HA GLY 4 7.276 13.121 20.932 16 HA3 GLY 4 2HA GLY 4 7.326 14.847 20.604 17 H SER 5 H SER 5 6.033 13.704 18.741 18 HA SER 5 HA SER 5 7.546 12.435 16.693 19 HB2 SER 5 1HB SER 5 4.811 13.711 16.742 20 HB3 SER 5 2HB SER 5 5.490 12.994 15.281 21 HG SER 5 HG SER 5 5.162 11.065 16.073 22 H SER 6 H SER 6 8.495 13.248 14.884 23 HA SER 6 HA SER 6 9.009 16.114 14.878 24 HB2 SER 6 1HB SER 6 10.207 13.888 13.211 25 HB3 SER 6 2HB SER 6 10.733 15.571 13.189 26 HG SER 6 HG SER 6 11.907 15.129 14.859 27 H GLY 7 H GLY 7 7.650 17.382 13.804 28 HA2 GLY 7 1HA GLY 7 6.118 18.101 12.242 29 HA3 GLY 7 2HA GLY 7 7.245 17.392 11.095 30 HA PRO 8 HA PRO 8 3.736 14.166 12.092 31 HB2 PRO 8 1HB PRO 8 1.417 15.286 12.950 32 HB3 PRO 8 2HB PRO 8 2.673 14.713 14.054 33 HG2 PRO 8 1HG PRO 8 2.100 17.499 13.120 34 HG3 PRO 8 2HG PRO 8 2.502 16.926 14.749 35 HD2 PRO 8 1HD PRO 8 4.327 18.089 13.122 36 HD3 PRO 8 2HD PRO 8 4.759 16.826 14.293 37 H ALA 9 H ALA 9 3.611 17.191 10.550 38 HA ALA 9 HA ALA 9 1.310 17.258 9.090 39 HB1 ALA 9 1HB ALA 9 4.040 17.837 7.950 40 HB2 ALA 9 2HB ALA 9 2.497 18.499 7.409 41 HB3 ALA 9 3HB ALA 9 3.136 18.936 8.994 42 H THR 10 H THR 10 0.315 15.860 7.809 43 HA THR 10 HA THR 10 1.933 14.032 6.168 44 HB THR 10 HB THR 10 0.148 12.288 6.525 45 HG1 THR 10 1HG THR 10 -0.740 14.292 8.269 46 HG21 THR 10 1HG2 THR 10 1.480 11.362 8.072 47 HG22 THR 10 2HG2 THR 10 1.157 12.646 9.237 48 HG23 THR 10 3HG2 THR 10 2.401 12.864 8.007 49 H ASP 11 H ASP 11 1.250 13.737 4.106 50 HA ASP 11 HA ASP 11 -1.256 15.080 3.325 51 HB2 ASP 11 1HB ASP 11 1.374 14.911 1.848 52 HB3 ASP 11 2HB ASP 11 -0.125 15.458 1.101 53 H TRP 12 H TRP 12 -2.313 14.207 1.407 54 HA TRP 12 HA TRP 12 -1.619 11.447 0.740 55 HB2 TRP 12 1HB TRP 12 -4.111 10.878 0.963 56 HB3 TRP 12 2HB TRP 12 -3.178 11.017 2.451 57 HD1 TRP 12 HD TRP 12 -5.230 13.537 0.303 58 HE1 TRP 12 1HE TRP 12 -6.667 14.943 1.909 59 HE3 TRP 12 3HE TRP 12 -3.781 11.440 4.734 60 HZ2 TRP 12 2HZ TRP 12 -7.125 15.138 4.688 61 HZ3 TRP 12 3HZ TRP 12 -4.766 12.294 6.821 62 HH2 TRP 12 HH TRP 12 -6.403 14.106 6.796 63 H LEU 13 H LEU 13 -2.617 10.677 -1.212 64 HA LEU 13 HA LEU 13 -3.430 12.878 -2.991 65 HB2 LEU 13 1HB LEU 13 -1.536 12.089 -3.984 66 HB3 LEU 13 2HB LEU 13 -1.764 10.453 -3.368 67 HG LEU 13 HG LEU 13 -3.542 10.117 -5.069 68 HD11 LEU 13 1HD1 LEU 13 -4.340 11.772 -6.315 69 HD12 LEU 13 2HD1 LEU 13 -2.721 12.276 -6.799 70 HD13 LEU 13 3HD1 LEU 13 -3.423 12.885 -5.300 71 HD21 LEU 13 1HD2 LEU 13 -1.807 10.384 -7.058 72 HD22 LEU 13 2HD2 LEU 13 -1.619 9.150 -5.811 73 HD23 LEU 13 3HD2 LEU 13 -0.695 10.650 -5.715 74 H SER 14 H SER 14 -5.243 12.692 -4.244 75 HA SER 14 HA SER 14 -7.308 10.992 -3.329 76 HB2 SER 14 1HB SER 14 -7.072 12.785 -5.748 77 HB3 SER 14 2HB SER 14 -8.537 11.877 -5.375 78 HG SER 14 HG SER 14 -8.154 12.984 -3.175 79 H ALA 15 H ALA 15 -6.582 8.859 -3.525 80 HA ALA 15 HA ALA 15 -7.081 7.673 -6.106 81 HB1 ALA 15 1HB ALA 15 -4.333 7.568 -4.881 82 HB2 ALA 15 2HB ALA 15 -4.891 6.443 -6.120 83 HB3 ALA 15 3HB ALA 15 -4.787 8.166 -6.477 84 H GLU 16 H GLU 16 -6.670 5.195 -5.931 85 HA GLU 16 HA GLU 16 -7.223 4.240 -3.214 86 HB2 GLU 16 1HB GLU 16 -9.116 2.976 -3.868 87 HB3 GLU 16 2HB GLU 16 -9.362 4.587 -4.526 88 HG2 GLU 16 1HG GLU 16 -8.636 3.824 -6.716 89 HG3 GLU 16 2HG GLU 16 -8.337 2.213 -6.066 90 H THR 17 H THR 17 -7.366 1.687 -3.353 91 HA THR 17 HA THR 17 -5.373 0.648 -5.229 92 HB THR 17 HB THR 17 -5.143 -0.074 -2.322 93 HG1 THR 17 1HG THR 17 -3.451 1.545 -2.249 94 HG21 THR 17 1HG2 THR 17 -2.655 -0.048 -3.569 95 HG22 THR 17 2HG2 THR 17 -3.754 -0.695 -4.786 96 HG23 THR 17 3HG2 THR 17 -3.636 -1.466 -3.205 97 H PHE 18 H PHE 18 -5.724 -1.424 -5.854 98 HA PHE 18 HA PHE 18 -8.194 -2.662 -4.947 99 HB2 PHE 18 1HB PHE 18 -7.589 -4.321 -6.827 100 HB3 PHE 18 2HB PHE 18 -8.033 -2.681 -7.287 101 HD1 PHE 18 1HD PHE 18 -6.261 -1.067 -7.940 102 HD2 PHE 18 2HD PHE 18 -5.448 -5.195 -7.296 103 HE1 PHE 18 1HE PHE 18 -4.142 -0.837 -9.168 104 HE2 PHE 18 2HE PHE 18 -3.327 -4.972 -8.523 105 HZ PHE 18 HZ PHE 18 -2.671 -2.791 -9.460 106 H GLU 19 H GLU 19 -4.738 -3.414 -5.124 107 HA GLU 19 HA GLU 19 -3.561 -5.230 -4.320 108 HB2 GLU 19 1HB GLU 19 -4.117 -3.492 -2.405 109 HB3 GLU 19 2HB GLU 19 -5.036 -4.841 -1.754 110 HG2 GLU 19 1HG GLU 19 -2.153 -5.102 -2.536 111 HG3 GLU 19 2HG GLU 19 -2.653 -4.553 -0.938 112 H SER 20 H SER 20 -5.808 -6.159 -5.677 113 HA SER 20 HA SER 20 -6.987 -8.218 -3.970 114 HB2 SER 20 1HB SER 20 -8.514 -6.967 -5.417 115 HB3 SER 20 2HB SER 20 -7.588 -7.451 -6.838 116 HG SER 20 HG SER 20 -9.549 -8.718 -6.269 117 H ASP 21 H ASP 21 -4.531 -7.801 -6.317 118 HA ASP 21 HA ASP 21 -4.100 -10.708 -6.367 119 HB2 ASP 21 1HB ASP 21 -3.285 -10.452 -8.734 120 HB3 ASP 21 2HB ASP 21 -5.017 -10.215 -8.523 121 H LEU 22 H LEU 22 -2.938 -7.782 -5.477 122 HA LEU 22 HA LEU 22 -0.242 -7.832 -6.276 123 HB2 LEU 22 1HB LEU 22 -1.783 -6.506 -4.103 124 HB3 LEU 22 2HB LEU 22 -0.023 -6.503 -4.006 125 HG LEU 22 HG LEU 22 -0.891 -4.437 -4.986 126 HD11 LEU 22 1HD1 LEU 22 0.298 -5.393 -7.409 127 HD12 LEU 22 2HD1 LEU 22 1.130 -6.088 -6.019 128 HD13 LEU 22 3HD1 LEU 22 0.979 -4.338 -6.171 129 HD21 LEU 22 1HD2 LEU 22 -1.690 -5.761 -7.498 130 HD22 LEU 22 2HD2 LEU 22 -2.348 -4.328 -6.707 131 HD23 LEU 22 3HD2 LEU 22 -2.801 -5.936 -6.140 132 H ASP 23 H ASP 23 1.609 -8.092 -4.712 133 HA ASP 23 HA ASP 23 1.192 -10.522 -3.098 134 HB2 ASP 23 1HB ASP 23 3.513 -9.617 -4.784 135 HB3 ASP 23 2HB ASP 23 3.735 -10.795 -3.494 136 H GLU 24 H GLU 24 0.731 -9.448 -1.172 137 HA GLU 24 HA GLU 24 2.935 -7.848 -0.051 138 HB2 GLU 24 1HB GLU 24 0.619 -6.790 -0.333 139 HB3 GLU 24 2HB GLU 24 0.102 -7.852 0.969 140 HG2 GLU 24 1HG GLU 24 1.869 -6.859 2.402 141 HG3 GLU 24 2HG GLU 24 2.215 -5.716 1.106 142 H THR 25 H THR 25 2.534 -10.821 -0.106 143 HA THR 25 HA THR 25 2.236 -11.394 2.752 144 HB THR 25 HB THR 25 2.139 -13.746 2.131 145 HG1 THR 25 1HG THR 25 2.968 -12.726 -0.346 146 HG21 THR 25 1HG2 THR 25 0.026 -13.752 1.087 147 HG22 THR 25 2HG2 THR 25 0.374 -12.275 0.189 148 HG23 THR 25 3HG2 THR 25 0.112 -12.207 1.932 149 H ARG 26 H ARG 26 4.641 -10.645 0.598 150 HA ARG 26 HA ARG 26 6.665 -11.849 2.343 151 HB2 ARG 26 1HB ARG 26 8.033 -12.502 0.424 152 HB3 ARG 26 2HB ARG 26 6.477 -13.321 0.393 153 HG2 ARG 26 1HG ARG 26 5.692 -11.588 -1.229 154 HG3 ARG 26 2HG ARG 26 7.351 -10.991 -1.294 155 HD2 ARG 26 1HD ARG 26 8.126 -12.863 -2.382 156 HD3 ARG 26 2HD ARG 26 6.839 -13.890 -1.751 157 HE ARG 26 HE ARG 26 5.875 -11.870 -3.537 158 HH11 ARG 26 2HH1 ARG 26 7.318 -15.033 -3.349 159 HH12 ARG 26 1HH1 ARG 26 6.700 -15.549 -4.883 160 HH21 ARG 26 2HH2 ARG 26 5.056 -12.538 -5.558 161 HH22 ARG 26 1HH2 ARG 26 5.414 -14.129 -6.139 162 H VAL 27 H VAL 27 8.634 -10.712 2.446 163 HA VAL 27 HA VAL 27 8.383 -7.891 2.077 164 HB VAL 27 HB VAL 27 10.703 -7.780 2.928 165 HG11 VAL 27 1HG1 VAL 27 10.229 -8.644 5.158 166 HG12 VAL 27 2HG1 VAL 27 8.809 -7.846 4.478 167 HG13 VAL 27 3HG1 VAL 27 8.901 -9.608 4.513 168 HG21 VAL 27 1HG2 VAL 27 11.154 -10.392 3.815 169 HG22 VAL 27 2HG2 VAL 27 10.700 -10.545 2.118 170 HG23 VAL 27 3HG2 VAL 27 12.054 -9.513 2.579 171 HA PRO 28 HA PRO 28 10.140 -7.346 -1.911 172 HB2 PRO 28 1HB PRO 28 11.346 -4.933 -1.605 173 HB3 PRO 28 2HB PRO 28 9.592 -5.124 -1.708 174 HG2 PRO 28 1HG PRO 28 11.321 -4.783 0.711 175 HG3 PRO 28 2HG PRO 28 9.761 -4.029 0.336 176 HD2 PRO 28 1HD PRO 28 9.990 -6.148 2.006 177 HD3 PRO 28 2HD PRO 28 8.564 -5.889 0.981 178 H GLU 29 H GLU 29 11.818 -8.480 -2.648 179 HA GLU 29 HA GLU 29 14.213 -8.872 -1.165 180 HB2 GLU 29 1HB GLU 29 13.842 -9.432 -4.105 181 HB3 GLU 29 2HB GLU 29 14.942 -10.224 -2.986 182 HG2 GLU 29 1HG GLU 29 13.311 -11.536 -2.084 183 HG3 GLU 29 2HG GLU 29 12.032 -10.372 -2.425 184 H VAL 30 H VAL 30 16.401 -8.457 -2.120 185 HA VAL 30 HA VAL 30 17.152 -5.902 -2.179 186 HB VAL 30 HB VAL 30 18.810 -7.635 -2.337 187 HG11 VAL 30 1HG1 VAL 30 17.949 -9.299 -3.695 188 HG12 VAL 30 2HG1 VAL 30 17.532 -8.172 -4.988 189 HG13 VAL 30 3HG1 VAL 30 19.218 -8.610 -4.707 190 HG21 VAL 30 1HG2 VAL 30 18.804 -5.367 -4.187 191 HG22 VAL 30 2HG2 VAL 30 20.024 -5.876 -3.020 192 HG23 VAL 30 3HG2 VAL 30 19.952 -6.638 -4.609 193 HA PRO 31 HA PRO 31 15.172 -3.963 -5.628 194 HB2 PRO 31 1HB PRO 31 16.575 -1.639 -5.568 195 HB3 PRO 31 2HB PRO 31 15.302 -2.023 -4.403 196 HG2 PRO 31 1HG PRO 31 18.272 -2.253 -4.109 197 HG3 PRO 31 2HG PRO 31 17.078 -1.638 -2.952 198 HD2 PRO 31 1HD PRO 31 18.118 -4.132 -2.784 199 HD3 PRO 31 2HD PRO 31 16.461 -3.752 -2.272 200 H SER 32 H SER 32 15.824 -2.841 -7.681 201 HA SER 32 HA SER 32 17.424 -4.411 -9.265 202 HB2 SER 32 1HB SER 32 16.109 -3.019 -10.536 203 HB3 SER 32 2HB SER 32 16.390 -1.625 -9.493 204 HG SER 32 HG SER 32 17.428 -1.576 -11.619 205 H SER 33 H SER 33 18.336 -1.349 -7.701 206 HA SER 33 HA SER 33 20.972 -2.170 -7.152 207 HB2 SER 33 1HB SER 33 20.987 -1.845 -9.716 208 HB3 SER 33 2HB SER 33 20.906 -0.120 -9.357 209 HG SER 33 HG SER 33 23.003 -0.334 -9.240 210 H LEU 34 H LEU 34 22.387 0.026 -6.874 211 HA LEU 34 HA LEU 34 20.745 2.194 -5.849 212 HB2 LEU 34 1HB LEU 34 20.748 1.163 -3.826 213 HB3 LEU 34 2HB LEU 34 22.230 0.271 -4.161 214 HG LEU 34 HG LEU 34 23.449 2.482 -3.826 215 HD11 LEU 34 1HD1 LEU 34 21.860 4.147 -3.915 216 HD12 LEU 34 2HD1 LEU 34 22.072 3.947 -2.176 217 HD13 LEU 34 3HD1 LEU 34 20.682 3.222 -2.984 218 HD21 LEU 34 1HD2 LEU 34 22.575 0.506 -2.027 219 HD22 LEU 34 2HD2 LEU 34 22.398 2.052 -1.197 220 HD23 LEU 34 3HD2 LEU 34 23.963 1.583 -1.864 221 H HIS 35 H HIS 35 21.634 3.929 -6.739 222 HA HIS 35 HA HIS 35 24.523 3.995 -7.207 223 HB2 HIS 35 1HB HIS 35 23.214 4.525 -9.150 224 HB3 HIS 35 2HB HIS 35 22.262 5.705 -8.254 225 HD1 HIS 35 1HD HIS 35 22.873 7.962 -9.032 226 HD2 HIS 35 2HD HIS 35 26.189 5.469 -8.800 227 HE1 HIS 35 1HE HIS 35 24.838 9.395 -9.671 228 HE2 HIS 35 2HE HIS 35 26.821 7.844 -9.606 229 H VAL 36 H VAL 36 25.827 5.703 -6.501 230 HA VAL 36 HA VAL 36 24.658 7.603 -4.605 231 HB VAL 36 HB VAL 36 26.572 7.184 -3.027 232 HG11 VAL 36 1HG1 VAL 36 25.201 5.909 -1.799 233 HG12 VAL 36 2HG1 VAL 36 24.104 6.010 -3.178 234 HG13 VAL 36 3HG1 VAL 36 25.174 4.618 -3.000 235 HG21 VAL 36 1HG2 VAL 36 26.914 4.435 -3.980 236 HG22 VAL 36 2HG2 VAL 36 27.593 5.664 -5.047 237 HG23 VAL 36 3HG2 VAL 36 28.106 5.579 -3.362 238 H ARG 37 H ARG 37 25.748 9.542 -4.436 239 HA ARG 37 HA ARG 37 28.150 9.859 -6.107 240 HB2 ARG 37 1HB ARG 37 26.512 10.814 -7.475 241 HB3 ARG 37 2HB ARG 37 25.625 11.480 -6.110 242 HG2 ARG 37 1HG ARG 37 26.634 13.306 -7.199 243 HG3 ARG 37 2HG ARG 37 27.585 13.021 -5.740 244 HD2 ARG 37 1HD ARG 37 29.108 13.408 -7.534 245 HD3 ARG 37 2HD ARG 37 29.175 11.692 -7.135 246 HE ARG 37 HE ARG 37 27.359 11.777 -9.130 247 HH11 ARG 37 2HH1 ARG 37 30.586 13.041 -8.794 248 HH12 ARG 37 1HH1 ARG 37 30.951 12.915 -10.482 249 HH21 ARG 37 2HH2 ARG 37 27.829 11.606 -11.355 250 HH22 ARG 37 1HH2 ARG 37 29.382 12.100 -11.939 251 HA PRO 38 HA PRO 38 29.454 11.471 -2.113 252 HB2 PRO 38 1HB PRO 38 32.090 11.552 -2.754 253 HB3 PRO 38 2HB PRO 38 31.265 10.066 -2.273 254 HG2 PRO 38 1HG PRO 38 31.950 11.049 -5.016 255 HG3 PRO 38 2HG PRO 38 32.098 9.415 -4.344 256 HD2 PRO 38 1HD PRO 38 30.043 10.150 -5.948 257 HD3 PRO 38 2HD PRO 38 29.861 8.950 -4.652 258 H LEU 39 H LEU 39 29.378 13.554 -1.575 259 HA LEU 39 HA LEU 39 30.430 15.541 -3.480 260 HB2 LEU 39 1HB LEU 39 27.880 15.436 -1.972 261 HB3 LEU 39 2HB LEU 39 28.654 17.010 -2.145 262 HG LEU 39 HG LEU 39 28.696 16.329 -4.694 263 HD11 LEU 39 1HD1 LEU 39 27.700 14.059 -4.036 264 HD12 LEU 39 2HD1 LEU 39 26.993 14.910 -5.409 265 HD13 LEU 39 3HD1 LEU 39 26.182 14.936 -3.843 266 HD21 LEU 39 1HD2 LEU 39 26.677 17.582 -5.004 267 HD22 LEU 39 2HD2 LEU 39 27.548 18.267 -3.633 268 HD23 LEU 39 3HD2 LEU 39 26.147 17.230 -3.359 269 H VAL 40 H VAL 40 31.309 17.476 -2.562 270 HA VAL 40 HA VAL 40 33.225 17.325 -0.742 271 HB VAL 40 HB VAL 40 31.364 19.694 -0.649 272 HG11 VAL 40 1HG1 VAL 40 34.208 19.174 0.055 273 HG12 VAL 40 2HG1 VAL 40 33.767 20.772 -0.551 274 HG13 VAL 40 3HG1 VAL 40 32.992 20.132 0.899 275 HG21 VAL 40 1HG2 VAL 40 33.091 18.706 -2.840 276 HG22 VAL 40 2HG2 VAL 40 31.606 19.654 -2.907 277 HG23 VAL 40 3HG2 VAL 40 33.134 20.437 -2.505 278 H THR 41 H THR 41 30.107 18.656 0.358 279 HA THR 41 HA THR 41 30.550 17.299 2.939 280 HB THR 41 HB THR 41 29.011 19.241 3.794 281 HG1 THR 41 1HG THR 41 28.611 20.215 1.794 282 HG21 THR 41 1HG2 THR 41 31.614 18.726 4.062 283 HG22 THR 41 2HG2 THR 41 30.876 20.200 4.691 284 HG23 THR 41 3HG2 THR 41 31.735 20.231 3.151 285 H SER 42 H SER 42 29.008 16.529 0.459 286 HA SER 42 HA SER 42 26.563 15.775 1.859 287 HB2 SER 42 1HB SER 42 25.227 16.352 -0.231 288 HB3 SER 42 2HB SER 42 25.772 17.721 0.738 289 HG SER 42 HG SER 42 26.304 18.235 -1.320 290 H ILE 43 H ILE 43 25.214 14.352 0.166 291 HA ILE 43 HA ILE 43 26.829 12.794 -1.628 292 HB ILE 43 HB ILE 43 25.835 11.497 0.912 293 HG12 ILE 43 1HG1 ILE 43 28.611 12.060 -0.141 294 HG13 ILE 43 2HG1 ILE 43 27.883 12.684 1.336 295 HG21 ILE 43 1HG2 ILE 43 26.104 9.470 -0.018 296 HG22 ILE 43 2HG2 ILE 43 25.916 10.339 -1.540 297 HG23 ILE 43 3HG2 ILE 43 27.528 9.967 -0.931 298 HD11 ILE 43 1HD1 ILE 43 28.980 11.033 2.346 299 HD12 ILE 43 2HD1 ILE 43 27.720 9.981 1.700 300 HD13 ILE 43 3HD1 ILE 43 29.247 10.162 0.836 301 H VAL 44 H VAL 44 25.402 12.840 -3.256 302 HA VAL 44 HA VAL 44 22.569 12.647 -2.845 303 HB VAL 44 HB VAL 44 23.860 12.273 -5.522 304 HG11 VAL 44 1HG1 VAL 44 21.284 12.334 -4.825 305 HG12 VAL 44 2HG1 VAL 44 21.553 14.064 -5.043 306 HG13 VAL 44 3HG1 VAL 44 21.868 12.947 -6.372 307 HG21 VAL 44 1HG2 VAL 44 23.454 14.998 -5.289 308 HG22 VAL 44 2HG2 VAL 44 24.211 14.554 -3.759 309 HG23 VAL 44 3HG2 VAL 44 25.012 14.170 -5.282 310 H VAL 45 H VAL 45 21.988 10.699 -1.991 311 HA VAL 45 HA VAL 45 22.958 8.235 -3.205 312 HB VAL 45 HB VAL 45 21.064 8.631 -0.883 313 HG11 VAL 45 1HG1 VAL 45 21.103 6.345 -0.516 314 HG12 VAL 45 2HG1 VAL 45 21.026 6.442 -2.276 315 HG13 VAL 45 3HG1 VAL 45 22.564 6.112 -1.477 316 HG21 VAL 45 1HG2 VAL 45 22.965 9.309 0.119 317 HG22 VAL 45 2HG2 VAL 45 23.317 7.582 0.180 318 HG23 VAL 45 3HG2 VAL 45 23.999 8.576 -1.108 319 H SER 46 H SER 46 21.997 7.843 -5.120 320 HA SER 46 HA SER 46 19.065 8.050 -5.268 321 HB2 SER 46 1HB SER 46 19.938 9.371 -7.001 322 HB3 SER 46 2HB SER 46 21.226 8.220 -7.356 323 HG SER 46 HG SER 46 19.604 6.795 -8.145 324 H TRP 47 H TRP 47 17.881 6.260 -5.426 325 HA TRP 47 HA TRP 47 19.223 3.757 -6.209 326 HB2 TRP 47 1HB TRP 47 17.866 2.555 -4.558 327 HB3 TRP 47 2HB TRP 47 18.858 3.786 -3.781 328 HD1 TRP 47 HD TRP 47 15.245 2.818 -4.414 329 HE1 TRP 47 1HE TRP 47 13.707 4.370 -3.054 330 HE3 TRP 47 3HE TRP 47 18.718 6.221 -2.833 331 HZ2 TRP 47 2HZ TRP 47 13.935 6.725 -1.515 332 HZ3 TRP 47 3HZ TRP 47 17.976 8.094 -1.421 333 HH2 TRP 47 HH TRP 47 15.633 8.339 -0.777 334 H THR 48 H THR 48 17.328 2.010 -6.500 335 HA THR 48 HA THR 48 15.129 3.225 -8.015 336 HB THR 48 HB THR 48 15.510 1.276 -9.704 337 HG1 THR 48 1HG THR 48 17.421 0.653 -8.201 338 HG21 THR 48 1HG2 THR 48 17.390 2.820 -10.791 339 HG22 THR 48 2HG2 THR 48 16.854 3.918 -9.518 340 HG23 THR 48 3HG2 THR 48 15.700 3.316 -10.708 341 HA PRO 49 HA PRO 49 12.635 0.188 -6.049 342 HB2 PRO 49 1HB PRO 49 10.656 -0.091 -7.886 343 HB3 PRO 49 2HB PRO 49 10.821 1.340 -6.862 344 HG2 PRO 49 1HG PRO 49 11.673 0.935 -9.703 345 HG3 PRO 49 2HG PRO 49 10.877 2.336 -8.963 346 HD2 PRO 49 1HD PRO 49 13.537 2.268 -9.463 347 HD3 PRO 49 2HD PRO 49 12.847 3.150 -8.085 348 HA PRO 50 HA PRO 50 13.665 -3.819 -7.552 349 HB2 PRO 50 1HB PRO 50 11.634 -5.287 -6.508 350 HB3 PRO 50 2HB PRO 50 12.945 -4.626 -5.525 351 HG2 PRO 50 1HG PRO 50 10.174 -3.574 -5.942 352 HG3 PRO 50 2HG PRO 50 11.113 -3.688 -4.442 353 HD2 PRO 50 1HD PRO 50 10.860 -1.377 -5.830 354 HD3 PRO 50 2HD PRO 50 12.320 -1.780 -4.905 355 H GLU 51 H GLU 51 13.492 -4.355 -9.635 356 HA GLU 51 HA GLU 51 11.619 -3.773 -11.468 357 HB2 GLU 51 1HB GLU 51 13.423 -6.127 -11.165 358 HB3 GLU 51 2HB GLU 51 12.208 -6.176 -12.435 359 HG2 GLU 51 1HG GLU 51 14.398 -4.146 -12.089 360 HG3 GLU 51 2HG GLU 51 14.251 -5.359 -13.359 361 H ASN 52 H ASN 52 11.302 -6.145 -8.950 362 HA ASN 52 HA ASN 52 8.917 -7.330 -10.085 363 HB2 ASN 52 1HB ASN 52 10.676 -8.532 -8.638 364 HB3 ASN 52 2HB ASN 52 9.906 -7.735 -7.269 365 HD21 ASN 52 1HD2 ASN 52 9.998 -10.506 -8.973 366 HD22 ASN 52 2HD2 ASN 52 8.416 -11.116 -8.645 367 H GLN 53 H GLN 53 7.422 -5.667 -10.216 368 HA GLN 53 HA GLN 53 6.825 -3.927 -8.046 369 HB2 GLN 53 1HB GLN 53 5.637 -4.513 -10.710 370 HB3 GLN 53 2HB GLN 53 4.612 -3.717 -9.523 371 HG2 GLN 53 1HG GLN 53 6.091 -2.350 -11.214 372 HG3 GLN 53 2HG GLN 53 5.814 -1.792 -9.565 373 HE21 GLN 53 1HE2 GLN 53 7.485 -1.812 -8.099 374 HE22 GLN 53 2HE2 GLN 53 9.129 -2.081 -8.554 375 H ASN 54 H ASN 54 5.634 -7.045 -9.080 376 HA ASN 54 HA ASN 54 3.210 -7.306 -7.903 377 HB2 ASN 54 1HB ASN 54 5.367 -9.396 -7.578 378 HB3 ASN 54 2HB ASN 54 3.628 -9.655 -7.683 379 HD21 ASN 54 1HD2 ASN 54 2.756 -8.420 -9.780 380 HD22 ASN 54 2HD2 ASN 54 3.575 -8.889 -11.227 381 H ILE 55 H ILE 55 6.332 -7.325 -6.257 382 HA ILE 55 HA ILE 55 5.206 -7.884 -3.677 383 HB ILE 55 HB ILE 55 7.932 -6.735 -4.263 384 HG12 ILE 55 1HG1 ILE 55 7.103 -9.640 -4.090 385 HG13 ILE 55 2HG1 ILE 55 7.546 -8.795 -5.570 386 HG21 ILE 55 1HG2 ILE 55 8.280 -8.282 -2.119 387 HG22 ILE 55 2HG2 ILE 55 7.799 -6.590 -2.003 388 HG23 ILE 55 3HG2 ILE 55 6.584 -7.863 -1.882 389 HD11 ILE 55 1HD1 ILE 55 9.582 -9.608 -5.189 390 HD12 ILE 55 2HD1 ILE 55 9.711 -8.336 -3.974 391 HD13 ILE 55 3HD1 ILE 55 9.227 -9.964 -3.499 392 H VAL 56 H VAL 56 4.113 -6.472 -2.497 393 HA VAL 56 HA VAL 56 3.958 -3.711 -3.096 394 HB VAL 56 HB VAL 56 3.034 -5.324 -0.728 395 HG11 VAL 56 1HG1 VAL 56 2.829 -2.359 -1.189 396 HG12 VAL 56 2HG1 VAL 56 1.732 -3.238 -0.121 397 HG13 VAL 56 3HG1 VAL 56 3.462 -3.205 0.223 398 HG21 VAL 56 1HG2 VAL 56 0.865 -5.060 -1.644 399 HG22 VAL 56 2HG2 VAL 56 1.420 -3.842 -2.793 400 HG23 VAL 56 3HG2 VAL 56 1.915 -5.524 -2.983 401 H VAL 57 H VAL 57 5.094 -2.012 -2.382 402 HA VAL 57 HA VAL 57 7.021 -2.453 -0.195 403 HB VAL 57 HB VAL 57 7.445 -0.723 -2.636 404 HG11 VAL 57 1HG1 VAL 57 9.323 0.094 -1.696 405 HG12 VAL 57 2HG1 VAL 57 8.506 -0.315 -0.186 406 HG13 VAL 57 3HG1 VAL 57 9.697 -1.421 -0.873 407 HG21 VAL 57 1HG2 VAL 57 9.205 -3.026 -2.054 408 HG22 VAL 57 2HG2 VAL 57 7.583 -3.400 -2.639 409 HG23 VAL 57 3HG2 VAL 57 8.654 -2.380 -3.600 410 H ARG 58 H ARG 58 7.120 -0.937 1.377 411 HA ARG 58 HA ARG 58 5.181 1.256 1.213 412 HB2 ARG 58 1HB ARG 58 6.541 -0.091 3.544 413 HB3 ARG 58 2HB ARG 58 5.605 1.388 3.717 414 HG2 ARG 58 1HG ARG 58 4.381 -1.002 2.413 415 HG3 ARG 58 2HG ARG 58 4.493 -0.910 4.172 416 HD2 ARG 58 1HD ARG 58 3.482 1.500 3.736 417 HD3 ARG 58 2HD ARG 58 2.883 0.715 2.275 418 HE ARG 58 HE ARG 58 2.278 -0.940 4.431 419 HH11 ARG 58 2HH1 ARG 58 1.443 2.225 3.245 420 HH12 ARG 58 1HH1 ARG 58 -0.142 2.212 3.944 421 HH21 ARG 58 2HH2 ARG 58 0.193 -0.969 5.357 422 HH22 ARG 58 1HH2 ARG 58 -0.852 0.396 5.146 423 H GLY 59 H GLY 59 8.584 0.576 1.556 424 HA2 GLY 59 1HA GLY 59 9.435 3.080 0.695 425 HA3 GLY 59 2HA GLY 59 9.406 3.137 2.452 426 H TYR 60 H TYR 60 11.781 3.575 1.649 427 HA TYR 60 HA TYR 60 13.203 1.006 1.867 428 HB2 TYR 60 1HB TYR 60 14.252 3.366 0.308 429 HB3 TYR 60 2HB TYR 60 14.872 1.719 0.327 430 HD1 TYR 60 1HD TYR 60 13.371 -0.119 -0.644 431 HD2 TYR 60 2HD TYR 60 12.701 4.030 -1.310 432 HE1 TYR 60 1HE TYR 60 11.996 -0.663 -2.610 433 HE2 TYR 60 2HE TYR 60 11.323 3.497 -3.277 434 HH TYR 60 HH TYR 60 11.108 0.257 -4.547 435 H ALA 61 H ALA 61 15.453 1.265 2.696 436 HA ALA 61 HA ALA 61 15.672 3.538 4.558 437 HB1 ALA 61 1HB ALA 61 16.120 0.619 5.120 438 HB2 ALA 61 2HB ALA 61 16.767 1.897 6.149 439 HB3 ALA 61 3HB ALA 61 15.024 1.736 5.934 440 H ILE 62 H ILE 62 17.535 4.612 4.447 441 HA ILE 62 HA ILE 62 19.767 3.363 2.986 442 HB ILE 62 HB ILE 62 19.175 6.302 3.357 443 HG12 ILE 62 1HG1 ILE 62 19.184 4.943 0.701 444 HG13 ILE 62 2HG1 ILE 62 17.783 4.715 1.741 445 HG21 ILE 62 1HG2 ILE 62 21.048 6.769 2.011 446 HG22 ILE 62 2HG2 ILE 62 21.602 5.581 3.189 447 HG23 ILE 62 3HG2 ILE 62 21.231 5.080 1.540 448 HD11 ILE 62 1HD1 ILE 62 18.568 7.004 0.152 449 HD12 ILE 62 2HD1 ILE 62 17.002 6.590 0.851 450 HD13 ILE 62 3HD1 ILE 62 18.207 7.435 1.823 451 H GLY 63 H GLY 63 21.303 2.643 4.305 452 HA2 GLY 63 1HA GLY 63 21.782 4.059 6.838 453 HA3 GLY 63 2HA GLY 63 22.271 2.409 6.481 454 H TYR 64 H TYR 64 23.540 5.249 7.150 455 HA TYR 64 HA TYR 64 25.883 4.784 5.438 456 HB2 TYR 64 1HB TYR 64 26.200 7.152 5.109 457 HB3 TYR 64 2HB TYR 64 24.568 6.733 4.602 458 HD1 TYR 64 1HD TYR 64 22.726 7.021 6.476 459 HD2 TYR 64 2HD TYR 64 26.494 8.998 6.468 460 HE1 TYR 64 1HE TYR 64 21.815 8.751 7.968 461 HE2 TYR 64 2HE TYR 64 25.593 10.733 7.961 462 HH TYR 64 HH TYR 64 23.563 10.749 9.750 463 H GLY 65 H GLY 65 27.899 5.362 6.351 464 HA2 GLY 65 1HA GLY 65 28.439 6.639 8.709 465 HA3 GLY 65 2HA GLY 65 28.007 5.007 9.196 466 H ILE 66 H ILE 66 30.583 6.698 9.076 467 HA ILE 66 HA ILE 66 32.357 5.491 7.264 468 HB ILE 66 HB ILE 66 33.051 6.626 9.975 469 HG12 ILE 66 1HG1 ILE 66 33.264 8.190 7.437 470 HG13 ILE 66 2HG1 ILE 66 31.685 8.035 8.199 471 HG21 ILE 66 1HG2 ILE 66 34.618 5.424 7.928 472 HG22 ILE 66 2HG2 ILE 66 35.017 7.140 8.006 473 HG23 ILE 66 3HG2 ILE 66 35.149 6.138 9.451 474 HD11 ILE 66 1HD1 ILE 66 34.099 8.999 9.693 475 HD12 ILE 66 2HD1 ILE 66 33.042 10.082 8.786 476 HD13 ILE 66 3HD1 ILE 66 32.399 9.149 10.137 477 H GLY 67 H GLY 67 32.573 3.336 7.157 478 HA2 GLY 67 1HA GLY 67 33.858 1.479 8.042 479 HA3 GLY 67 2HA GLY 67 33.313 1.939 9.648 480 H SER 68 H SER 68 30.625 2.225 9.327 481 HA SER 68 HA SER 68 29.596 -0.180 8.054 482 HB2 SER 68 1HB SER 68 29.797 0.206 11.005 483 HB3 SER 68 2HB SER 68 28.343 -0.564 10.371 484 HG SER 68 HG SER 68 30.106 -1.840 9.130 485 HA PRO 69 HA PRO 69 26.200 2.516 7.285 486 HB2 PRO 69 1HB PRO 69 24.324 0.656 6.660 487 HB3 PRO 69 2HB PRO 69 25.651 1.084 5.574 488 HG2 PRO 69 1HG PRO 69 25.402 -1.250 7.432 489 HG3 PRO 69 2HG PRO 69 26.007 -1.206 5.765 490 HD2 PRO 69 1HD PRO 69 27.656 -1.264 7.912 491 HD3 PRO 69 2HD PRO 69 28.080 -0.428 6.405 492 H HIS 70 H HIS 70 25.724 -0.262 9.428 493 HA HIS 70 HA HIS 70 23.304 0.188 10.551 494 HB2 HIS 70 1HB HIS 70 25.894 -0.688 11.798 495 HB3 HIS 70 2HB HIS 70 24.433 -0.545 12.770 496 HD1 HIS 70 1HD HIS 70 22.678 -2.364 12.526 497 HD2 HIS 70 2HD HIS 70 25.815 -2.742 9.828 498 HE1 HIS 70 1HE HIS 70 22.388 -4.628 11.471 499 HE2 HIS 70 2HE HIS 70 24.346 -4.870 9.905 500 H ALA 71 H ALA 71 26.084 2.223 10.804 501 HA ALA 71 HA ALA 71 25.902 3.653 13.054 502 HB1 ALA 71 1HB ALA 71 26.227 5.744 11.489 503 HB2 ALA 71 2HB ALA 71 27.475 4.505 11.627 504 HB3 ALA 71 3HB ALA 71 26.382 4.505 10.244 505 H GLN 72 H GLN 72 23.877 4.424 10.216 506 HA GLN 72 HA GLN 72 21.695 5.158 12.002 507 HB2 GLN 72 1HB GLN 72 22.947 7.053 10.014 508 HB3 GLN 72 2HB GLN 72 21.349 7.298 10.706 509 HG2 GLN 72 1HG GLN 72 23.880 7.065 12.315 510 HG3 GLN 72 2HG GLN 72 23.144 8.588 11.820 511 HE21 GLN 72 1HE2 GLN 72 23.453 6.542 14.321 512 HE22 GLN 72 2HE2 GLN 72 21.995 6.885 15.183 513 H THR 73 H THR 73 19.681 5.681 10.714 514 HA THR 73 HA THR 73 19.626 4.272 8.137 515 HB THR 73 HB THR 73 17.689 3.803 10.412 516 HG1 THR 73 1HG THR 73 19.660 2.625 10.560 517 HG21 THR 73 1HG2 THR 73 17.144 3.745 7.690 518 HG22 THR 73 2HG2 THR 73 16.206 2.966 8.964 519 HG23 THR 73 3HG2 THR 73 17.451 2.060 8.104 520 H ILE 74 H ILE 74 18.589 5.381 6.612 521 HA ILE 74 HA ILE 74 16.820 7.580 7.454 522 HB ILE 74 HB ILE 74 18.452 7.306 4.928 523 HG12 ILE 74 1HG1 ILE 74 18.668 9.342 7.153 524 HG13 ILE 74 2HG1 ILE 74 19.675 7.902 7.044 525 HG21 ILE 74 1HG2 ILE 74 16.051 8.631 5.214 526 HG22 ILE 74 2HG2 ILE 74 17.251 9.899 5.459 527 HG23 ILE 74 3HG2 ILE 74 17.269 8.942 3.978 528 HD11 ILE 74 1HD1 ILE 74 20.573 8.681 4.923 529 HD12 ILE 74 2HD1 ILE 74 19.549 10.116 5.011 530 HD13 ILE 74 3HD1 ILE 74 20.826 9.869 6.202 531 H LYS 75 H LYS 75 14.767 6.939 7.302 532 HA LYS 75 HA LYS 75 13.957 5.370 4.946 533 HB2 LYS 75 1HB LYS 75 12.257 5.659 7.398 534 HB3 LYS 75 2HB LYS 75 12.273 4.365 6.207 535 HG2 LYS 75 1HG LYS 75 14.339 3.512 7.073 536 HG3 LYS 75 2HG LYS 75 14.501 4.891 8.162 537 HD2 LYS 75 1HD LYS 75 13.616 3.384 9.623 538 HD3 LYS 75 2HD LYS 75 12.115 4.045 8.968 539 HE2 LYS 75 1HE LYS 75 11.749 1.767 8.825 540 HE3 LYS 75 2HE LYS 75 12.350 2.148 7.212 541 HZ1 LYS 75 1HZ LYS 75 13.340 0.140 8.349 542 HZ2 LYS 75 2HZ LYS 75 14.139 1.217 9.378 543 HZ3 LYS 75 3HZ LYS 75 14.442 1.255 7.714 544 H VAL 76 H VAL 76 12.379 6.108 3.613 545 HA VAL 76 HA VAL 76 11.015 8.609 4.344 546 HB VAL 76 HB VAL 76 11.230 9.030 1.726 547 HG11 VAL 76 1HG1 VAL 76 12.235 10.184 3.975 548 HG12 VAL 76 2HG1 VAL 76 13.711 9.797 3.089 549 HG13 VAL 76 3HG1 VAL 76 12.469 10.800 2.339 550 HG21 VAL 76 1HG2 VAL 76 13.991 8.107 2.033 551 HG22 VAL 76 2HG2 VAL 76 12.802 6.808 1.935 552 HG23 VAL 76 3HG2 VAL 76 12.908 8.005 0.645 553 H ASP 77 H ASP 77 11.018 6.660 1.380 554 HA ASP 77 HA ASP 77 8.618 5.281 1.875 555 HB2 ASP 77 1HB ASP 77 8.377 7.986 0.647 556 HB3 ASP 77 2HB ASP 77 7.365 6.698 0.000 557 H TYR 78 H TYR 78 7.552 4.816 -0.504 558 HA TYR 78 HA TYR 78 9.712 3.526 -1.934 559 HB2 TYR 78 1HB TYR 78 7.869 2.518 -3.276 560 HB3 TYR 78 2HB TYR 78 7.709 2.235 -1.546 561 HD1 TYR 78 2HD TYR 78 5.939 3.319 -0.265 562 HD2 TYR 78 1HD TYR 78 6.301 3.936 -4.460 563 HE1 TYR 78 2HE TYR 78 3.665 4.252 -0.319 564 HE2 TYR 78 1HE TYR 78 4.028 4.872 -4.524 565 HH TYR 78 HH TYR 78 2.128 5.288 -1.560 566 H LYS 79 H LYS 79 7.753 6.341 -2.248 567 HA LYS 79 HA LYS 79 8.007 6.689 -5.063 568 HB2 LYS 79 1HB LYS 79 7.396 8.663 -2.857 569 HB3 LYS 79 2HB LYS 79 7.309 9.040 -4.573 570 HG2 LYS 79 1HG LYS 79 5.693 6.999 -4.656 571 HG3 LYS 79 2HG LYS 79 5.538 7.299 -2.923 572 HD2 LYS 79 1HD LYS 79 5.063 9.728 -3.570 573 HD3 LYS 79 2HD LYS 79 4.843 9.119 -5.213 574 HE2 LYS 79 1HE LYS 79 3.075 7.647 -4.465 575 HE3 LYS 79 2HE LYS 79 3.343 8.127 -2.790 576 HZ1 LYS 79 1HZ LYS 79 1.904 9.490 -4.890 577 HZ2 LYS 79 2HZ LYS 79 2.926 10.493 -3.989 578 HZ3 LYS 79 3HZ LYS 79 1.724 9.592 -3.211 579 H GLN 80 H GLN 80 9.777 7.958 -2.265 580 HA GLN 80 HA GLN 80 11.470 9.738 -3.507 581 HB2 GLN 80 1HB GLN 80 11.811 7.944 -1.128 582 HB3 GLN 80 2HB GLN 80 13.152 8.937 -1.683 583 HG2 GLN 80 1HG GLN 80 10.504 9.804 -0.589 584 HG3 GLN 80 2HG GLN 80 12.124 10.198 -0.015 585 HE21 GLN 80 1HE2 GLN 80 9.512 11.366 -1.622 586 HE22 GLN 80 2HE2 GLN 80 10.261 12.647 -2.506 587 H ARG 81 H ARG 81 12.997 9.578 -5.006 588 HA ARG 81 HA ARG 81 13.926 6.915 -5.784 589 HB2 ARG 81 1HB ARG 81 12.979 8.818 -7.364 590 HB3 ARG 81 2HB ARG 81 14.646 9.377 -7.309 591 HG2 ARG 81 1HG ARG 81 15.115 6.827 -7.879 592 HG3 ARG 81 2HG ARG 81 13.493 6.956 -8.561 593 HD2 ARG 81 1HD ARG 81 14.501 9.168 -9.603 594 HD3 ARG 81 2HD ARG 81 16.018 8.298 -9.378 595 HE ARG 81 HE ARG 81 14.271 6.551 -10.633 596 HH11 ARG 81 2HH1 ARG 81 15.779 9.616 -11.304 597 HH12 ARG 81 1HH1 ARG 81 15.810 9.373 -13.019 598 HH21 ARG 81 2HH2 ARG 81 14.306 6.219 -12.889 599 HH22 ARG 81 1HH2 ARG 81 14.971 7.441 -13.920 600 H TYR 82 H TYR 82 15.101 10.018 -4.634 601 HA TYR 82 HA TYR 82 17.639 8.758 -3.937 602 HB2 TYR 82 1HB TYR 82 19.014 10.281 -5.042 603 HB3 TYR 82 2HB TYR 82 17.741 9.990 -6.222 604 HD1 TYR 82 2HD TYR 82 15.956 11.698 -6.551 605 HD2 TYR 82 1HD TYR 82 19.355 12.439 -4.102 606 HE1 TYR 82 2HE TYR 82 15.503 14.113 -6.663 607 HE2 TYR 82 1HE TYR 82 18.911 14.856 -4.206 608 HH TYR 82 HH TYR 82 17.449 16.373 -6.205 609 H TYR 83 H TYR 83 18.904 10.054 -2.409 610 HA TYR 83 HA TYR 83 17.369 12.104 -0.987 611 HB2 TYR 83 1HB TYR 83 16.948 9.912 0.115 612 HB3 TYR 83 2HB TYR 83 18.678 9.755 0.398 613 HD1 TYR 83 1HD TYR 83 15.647 11.645 1.303 614 HD2 TYR 83 2HD TYR 83 19.758 10.963 2.161 615 HE1 TYR 83 1HE TYR 83 15.405 12.882 3.416 616 HE2 TYR 83 2HE TYR 83 19.527 12.197 4.276 617 HH TYR 83 HH TYR 83 17.308 12.686 5.889 618 H THR 84 H THR 84 18.576 13.772 -0.314 619 HA THR 84 HA THR 84 21.442 13.675 -0.836 620 HB THR 84 HB THR 84 19.678 16.021 -0.106 621 HG1 THR 84 1HG THR 84 20.152 16.518 -2.396 622 HG21 THR 84 1HG2 THR 84 21.485 17.393 -0.189 623 HG22 THR 84 2HG2 THR 84 22.314 16.405 -1.392 624 HG23 THR 84 3HG2 THR 84 22.330 15.926 0.305 625 H ILE 85 H ILE 85 22.697 12.998 0.774 626 HA ILE 85 HA ILE 85 21.902 13.408 3.542 627 HB ILE 85 HB ILE 85 24.389 12.043 2.512 628 HG12 ILE 85 1HG1 ILE 85 21.748 10.784 3.284 629 HG13 ILE 85 2HG1 ILE 85 22.295 11.017 1.627 630 HG21 ILE 85 1HG2 ILE 85 24.368 12.782 4.889 631 HG22 ILE 85 2HG2 ILE 85 22.966 11.746 5.151 632 HG23 ILE 85 3HG2 ILE 85 24.511 11.037 4.684 633 HD11 ILE 85 1HD1 ILE 85 22.777 8.789 2.130 634 HD12 ILE 85 2HD1 ILE 85 24.321 9.628 2.277 635 HD13 ILE 85 3HD1 ILE 85 23.413 9.194 3.724 636 H GLU 86 H GLU 86 22.311 15.382 4.322 637 HA GLU 86 HA GLU 86 24.849 16.684 3.631 638 HB2 GLU 86 1HB GLU 86 22.319 17.803 4.847 639 HB3 GLU 86 2HB GLU 86 23.786 18.733 4.578 640 HG2 GLU 86 1HG GLU 86 23.583 18.145 2.143 641 HG3 GLU 86 2HG GLU 86 21.987 17.497 2.515 642 H ASN 87 H ASN 87 25.724 18.100 5.485 643 HA ASN 87 HA ASN 87 26.561 18.319 7.601 644 HB2 ASN 87 1HB ASN 87 24.727 16.118 8.536 645 HB3 ASN 87 2HB ASN 87 25.411 17.443 9.473 646 HD21 ASN 87 1HD2 ASN 87 22.902 16.441 7.340 647 HD22 ASN 87 2HD2 ASN 87 21.958 17.886 7.424 648 H LEU 88 H LEU 88 27.810 16.711 5.709 649 HA LEU 88 HA LEU 88 28.938 14.560 7.378 650 HB2 LEU 88 1HB LEU 88 28.994 14.622 4.375 651 HB3 LEU 88 2HB LEU 88 29.362 13.269 5.442 652 HG LEU 88 HG LEU 88 26.607 14.459 5.189 653 HD11 LEU 88 1HD1 LEU 88 26.260 12.261 3.849 654 HD12 LEU 88 2HD1 LEU 88 27.992 12.386 3.545 655 HD13 LEU 88 3HD1 LEU 88 26.913 13.685 3.038 656 HD21 LEU 88 1HD2 LEU 88 25.983 12.201 6.074 657 HD22 LEU 88 2HD2 LEU 88 26.876 13.218 7.205 658 HD23 LEU 88 3HD2 LEU 88 27.698 11.906 6.357 659 H ASP 89 H ASP 89 31.221 14.100 7.033 660 HA ASP 89 HA ASP 89 32.724 16.568 6.667 661 HB2 ASP 89 1HB ASP 89 33.025 14.958 8.641 662 HB3 ASP 89 2HB ASP 89 33.858 13.904 7.501 663 HA PRO 90 HA PRO 90 34.035 15.505 2.589 664 HB2 PRO 90 1HB PRO 90 36.128 17.226 2.410 665 HB3 PRO 90 2HB PRO 90 34.443 17.749 2.310 666 HG2 PRO 90 1HG PRO 90 36.317 17.833 4.642 667 HG3 PRO 90 2HG PRO 90 35.172 19.066 4.083 668 HD2 PRO 90 1HD PRO 90 34.636 17.418 6.163 669 HD3 PRO 90 2HD PRO 90 33.371 18.024 5.076 670 H SER 91 H SER 91 36.026 14.814 1.433 671 HA SER 91 HA SER 91 37.636 13.203 1.227 672 HB2 SER 91 1HB SER 91 38.642 15.180 3.211 673 HB3 SER 91 2HB SER 91 39.561 13.687 3.025 674 HG SER 91 HG SER 91 39.921 15.688 1.571 675 H SER 92 H SER 92 35.600 12.026 2.419 676 HA SER 92 HA SER 92 36.887 10.195 4.279 677 HB2 SER 92 1HB SER 92 34.444 11.829 4.946 678 HB3 SER 92 2HB SER 92 34.768 10.287 5.738 679 HG SER 92 HG SER 92 35.626 12.438 6.636 680 H HIS 93 H HIS 93 36.283 8.135 3.951 681 HA HIS 93 HA HIS 93 34.420 7.588 1.808 682 HB2 HIS 93 1HB HIS 93 36.481 6.330 1.839 683 HB3 HIS 93 2HB HIS 93 36.170 5.778 3.482 684 HD1 HIS 93 1HD HIS 93 36.281 3.305 2.711 685 HD2 HIS 93 2HD HIS 93 33.264 5.524 0.911 686 HE1 HIS 93 1HE HIS 93 34.775 1.621 1.607 687 HE2 HIS 93 2HE HIS 93 33.005 2.991 0.453 688 H TYR 94 H TYR 94 32.381 6.906 2.011 689 HA TYR 94 HA TYR 94 31.464 6.044 4.675 690 HB2 TYR 94 1HB TYR 94 30.221 7.978 2.744 691 HB3 TYR 94 2HB TYR 94 29.214 7.083 3.877 692 HD1 TYR 94 2HD TYR 94 32.221 9.288 3.778 693 HD2 TYR 94 1HD TYR 94 28.860 7.935 6.009 694 HE1 TYR 94 2HE TYR 94 32.716 10.951 5.521 695 HE2 TYR 94 1HE TYR 94 29.345 9.595 7.757 696 HH TYR 94 HH TYR 94 30.665 11.254 8.407 697 H VAL 95 H VAL 95 30.036 4.350 4.766 698 HA VAL 95 HA VAL 95 29.693 2.855 2.262 699 HB VAL 95 HB VAL 95 29.397 1.883 5.108 700 HG11 VAL 95 1HG1 VAL 95 29.467 -0.363 4.046 701 HG12 VAL 95 2HG1 VAL 95 28.037 0.578 3.619 702 HG13 VAL 95 3HG1 VAL 95 29.367 0.423 2.471 703 HG21 VAL 95 1HG2 VAL 95 31.535 0.570 4.002 704 HG22 VAL 95 2HG2 VAL 95 31.716 2.204 3.363 705 HG23 VAL 95 3HG2 VAL 95 31.635 1.942 5.105 706 H ILE 96 H ILE 96 27.802 3.177 1.296 707 HA ILE 96 HA ILE 96 25.424 3.713 2.925 708 HB ILE 96 HB ILE 96 25.975 4.116 -0.010 709 HG12 ILE 96 1HG1 ILE 96 25.214 6.496 0.773 710 HG13 ILE 96 2HG1 ILE 96 25.615 5.894 2.378 711 HG21 ILE 96 1HG2 ILE 96 23.804 3.864 -0.408 712 HG22 ILE 96 2HG2 ILE 96 23.458 3.657 1.308 713 HG23 ILE 96 3HG2 ILE 96 23.513 5.275 0.609 714 HD11 ILE 96 1HD1 ILE 96 27.579 5.712 0.131 715 HD12 ILE 96 2HD1 ILE 96 27.395 7.191 1.074 716 HD13 ILE 96 3HD1 ILE 96 27.870 5.691 1.870 717 H THR 97 H THR 97 23.802 2.295 3.107 718 HA THR 97 HA THR 97 23.723 0.000 1.268 719 HB THR 97 HB THR 97 23.044 -1.439 3.203 720 HG1 THR 97 1HG THR 97 23.602 -0.616 5.300 721 HG21 THR 97 1HG2 THR 97 25.733 -0.429 3.932 722 HG22 THR 97 2HG2 THR 97 25.502 -0.949 2.262 723 HG23 THR 97 3HG2 THR 97 25.195 -2.072 3.586 724 H LEU 98 H LEU 98 21.823 -0.115 0.286 725 HA LEU 98 HA LEU 98 19.476 1.074 1.602 726 HB2 LEU 98 1HB LEU 98 19.874 2.166 -0.447 727 HB3 LEU 98 2HB LEU 98 20.183 0.646 -1.285 728 HG LEU 98 HG LEU 98 17.681 0.156 -0.751 729 HD11 LEU 98 1HD1 LEU 98 16.899 1.831 0.578 730 HD12 LEU 98 2HD1 LEU 98 16.519 2.518 -1.001 731 HD13 LEU 98 3HD1 LEU 98 17.961 3.046 -0.134 732 HD21 LEU 98 1HD2 LEU 98 17.132 1.718 -2.811 733 HD22 LEU 98 2HD2 LEU 98 18.121 0.268 -2.987 734 HD23 LEU 98 3HD2 LEU 98 18.890 1.852 -2.870 735 H LYS 99 H LYS 99 17.632 -0.089 1.901 736 HA LYS 99 HA LYS 99 17.490 -2.809 0.831 737 HB2 LYS 99 1HB LYS 99 16.941 -3.762 2.991 738 HB3 LYS 99 2HB LYS 99 18.509 -2.969 3.080 739 HG2 LYS 99 1HG LYS 99 17.664 -1.186 4.336 740 HG3 LYS 99 2HG LYS 99 15.992 -1.580 3.930 741 HD2 LYS 99 1HD LYS 99 16.192 -2.355 6.111 742 HD3 LYS 99 2HD LYS 99 16.470 -3.810 5.151 743 HE2 LYS 99 1HE LYS 99 18.856 -3.583 5.421 744 HE3 LYS 99 2HE LYS 99 18.651 -2.041 6.250 745 HZ1 LYS 99 1HZ LYS 99 18.283 -4.747 7.247 746 HZ2 LYS 99 2HZ LYS 99 17.154 -3.605 7.779 747 HZ3 LYS 99 3HZ LYS 99 18.804 -3.355 8.056 748 H ALA 100 H ALA 100 15.392 -3.645 0.651 749 HA ALA 100 HA ALA 100 13.302 -1.597 0.702 750 HB1 ALA 100 1HB ALA 100 13.147 -4.330 -0.550 751 HB2 ALA 100 2HB ALA 100 12.102 -2.940 -0.847 752 HB3 ALA 100 3HB ALA 100 13.781 -2.911 -1.383 753 H PHE 101 H PHE 101 11.680 -1.624 2.123 754 HA PHE 101 HA PHE 101 11.054 -4.116 3.535 755 HB2 PHE 101 1HB PHE 101 11.085 -3.086 5.682 756 HB3 PHE 101 2HB PHE 101 12.605 -2.656 4.905 757 HD1 PHE 101 2HD PHE 101 12.963 -0.378 4.058 758 HD2 PHE 101 1HD PHE 101 9.461 -1.436 6.233 759 HE1 PHE 101 2HE PHE 101 12.491 2.005 4.449 760 HE2 PHE 101 1HE PHE 101 8.982 0.945 6.627 761 HZ PHE 101 HZ PHE 101 10.499 2.669 5.736 762 H ASN 102 H ASN 102 8.925 -4.453 3.882 763 HA ASN 102 HA ASN 102 7.081 -2.233 3.288 764 HB2 ASN 102 1HB ASN 102 5.574 -3.822 2.196 765 HB3 ASN 102 2HB ASN 102 7.149 -3.826 1.409 766 HD21 ASN 102 1HD2 ASN 102 5.539 -5.902 0.952 767 HD22 ASN 102 2HD2 ASN 102 6.097 -7.315 1.775 768 H ASN 103 H ASN 103 4.706 -3.241 3.905 769 HA ASN 103 HA ASN 103 4.566 -3.134 6.676 770 HB2 ASN 103 1HB ASN 103 2.243 -4.197 6.304 771 HB3 ASN 103 2HB ASN 103 2.573 -2.645 5.540 772 HD21 ASN 103 1HD2 ASN 103 2.102 -2.478 3.474 773 HD22 ASN 103 2HD2 ASN 103 1.904 -3.790 2.367 774 H VAL 104 H VAL 104 5.253 -5.801 4.599 775 HA VAL 104 HA VAL 104 4.601 -7.859 6.493 776 HB VAL 104 HB VAL 104 6.329 -8.023 4.019 777 HG11 VAL 104 1HG1 VAL 104 4.907 -10.416 4.873 778 HG12 VAL 104 2HG1 VAL 104 6.597 -10.207 4.409 779 HG13 VAL 104 3HG1 VAL 104 6.085 -9.855 6.060 780 HG21 VAL 104 1HG2 VAL 104 3.377 -8.423 4.442 781 HG22 VAL 104 2HG2 VAL 104 4.178 -7.318 3.325 782 HG23 VAL 104 3HG2 VAL 104 4.240 -9.057 3.040 783 H GLY 105 H GLY 105 7.562 -6.226 5.436 784 HA2 GLY 105 1HA GLY 105 8.893 -6.289 7.835 785 HA3 GLY 105 2HA GLY 105 9.288 -7.822 7.072 786 H GLU 106 H GLU 106 11.488 -7.212 6.962 787 HA GLU 106 HA GLU 106 12.087 -5.060 5.048 788 HB2 GLU 106 1HB GLU 106 14.114 -6.373 6.838 789 HB3 GLU 106 2HB GLU 106 14.193 -4.798 6.061 790 HG2 GLU 106 1HG GLU 106 12.423 -3.985 7.544 791 HG3 GLU 106 2HG GLU 106 12.373 -5.560 8.334 792 H GLY 107 H GLY 107 14.394 -5.589 3.987 793 HA2 GLY 107 1HA GLY 107 14.247 -8.346 2.938 794 HA3 GLY 107 2HA GLY 107 14.439 -6.967 1.866 795 H ILE 108 H ILE 108 16.410 -7.547 1.027 796 HA ILE 108 HA ILE 108 18.638 -7.820 2.927 797 HB ILE 108 HB ILE 108 19.792 -8.482 0.604 798 HG12 ILE 108 1HG1 ILE 108 17.446 -8.096 -0.460 799 HG13 ILE 108 2HG1 ILE 108 18.380 -9.509 -0.939 800 HG21 ILE 108 1HG2 ILE 108 19.745 -9.826 2.646 801 HG22 ILE 108 2HG2 ILE 108 18.103 -10.346 2.267 802 HG23 ILE 108 3HG2 ILE 108 19.441 -10.815 1.218 803 HD11 ILE 108 1HD1 ILE 108 17.050 -10.947 0.371 804 HD12 ILE 108 2HD1 ILE 108 16.287 -9.595 1.210 805 HD13 ILE 108 3HD1 ILE 108 15.936 -9.887 -0.494 806 HA PRO 109 HA PRO 109 19.749 -3.679 1.689 807 HB2 PRO 109 1HB PRO 109 21.961 -3.520 3.254 808 HB3 PRO 109 2HB PRO 109 20.321 -3.338 3.888 809 HG2 PRO 109 1HG PRO 109 22.114 -5.736 3.929 810 HG3 PRO 109 2HG PRO 109 21.077 -5.091 5.216 811 HD2 PRO 109 1HD PRO 109 20.356 -7.206 3.686 812 HD3 PRO 109 2HD PRO 109 19.175 -6.051 4.337 813 H LEU 110 H LEU 110 21.621 -2.632 0.705 814 HA LEU 110 HA LEU 110 23.261 -4.554 -0.804 815 HB2 LEU 110 1HB LEU 110 22.367 -1.757 -1.475 816 HB3 LEU 110 2HB LEU 110 23.541 -2.665 -2.426 817 HG LEU 110 HG LEU 110 20.863 -3.876 -1.947 818 HD11 LEU 110 1HD1 LEU 110 20.241 -2.675 -4.170 819 HD12 LEU 110 2HD1 LEU 110 21.419 -1.477 -3.634 820 HD13 LEU 110 3HD1 LEU 110 20.017 -1.846 -2.630 821 HD21 LEU 110 1HD2 LEU 110 21.444 -4.366 -4.489 822 HD22 LEU 110 2HD2 LEU 110 22.109 -5.334 -3.172 823 HD23 LEU 110 3HD2 LEU 110 23.081 -4.059 -3.908 824 H TYR 111 H TYR 111 25.307 -3.198 -1.710 825 HA TYR 111 HA TYR 111 26.536 -1.765 0.535 826 HB2 TYR 111 1HB TYR 111 27.475 -4.301 -0.729 827 HB3 TYR 111 2HB TYR 111 28.682 -3.129 -0.211 828 HD1 TYR 111 2HD TYR 111 25.555 -4.676 1.147 829 HD2 TYR 111 1HD TYR 111 29.559 -3.443 1.892 830 HE1 TYR 111 2HE TYR 111 25.381 -5.523 3.450 831 HE2 TYR 111 1HE TYR 111 29.397 -4.288 4.196 832 HH TYR 111 HH TYR 111 27.128 -4.698 5.850 833 H GLU 112 H GLU 112 27.306 0.109 -0.153 834 HA GLU 112 HA GLU 112 28.438 0.271 -2.862 835 HB2 GLU 112 1HB GLU 112 26.342 1.991 -1.604 836 HB3 GLU 112 2HB GLU 112 27.483 2.727 -2.721 837 HG2 GLU 112 1HG GLU 112 25.486 0.558 -3.260 838 HG3 GLU 112 2HG GLU 112 25.609 2.150 -4.006 839 H SER 113 H SER 113 29.622 2.494 -3.083 840 HA SER 113 HA SER 113 30.992 3.196 -0.590 841 HB2 SER 113 1HB SER 113 33.187 3.123 -1.804 842 HB3 SER 113 2HB SER 113 32.445 1.540 -1.570 843 HG SER 113 HG SER 113 31.980 2.998 -3.933 844 H ALA 114 H ALA 114 31.408 5.318 -0.388 845 HA ALA 114 HA ALA 114 31.455 7.021 -2.761 846 HB1 ALA 114 1HB ALA 114 29.811 8.086 -0.555 847 HB2 ALA 114 2HB ALA 114 29.614 8.244 -2.301 848 HB3 ALA 114 3HB ALA 114 29.102 6.766 -1.486 849 H VAL 115 H VAL 115 33.156 8.317 -2.622 850 HA VAL 115 HA VAL 115 34.208 8.986 0.046 851 HB VAL 115 HB VAL 115 35.653 8.951 -2.608 852 HG11 VAL 115 1HG1 VAL 115 37.600 9.602 -1.504 853 HG12 VAL 115 2HG1 VAL 115 36.360 10.645 -0.805 854 HG13 VAL 115 3HG1 VAL 115 36.934 9.236 0.088 855 HG21 VAL 115 1HG2 VAL 115 36.867 7.036 -1.662 856 HG22 VAL 115 2HG2 VAL 115 35.830 7.092 -0.236 857 HG23 VAL 115 3HG2 VAL 115 35.141 6.710 -1.814 858 H THR 116 H THR 116 33.483 10.928 0.646 859 HA THR 116 HA THR 116 32.586 12.968 -1.028 860 HB THR 116 HB THR 116 32.914 14.479 0.956 861 HG1 THR 116 1HG THR 116 33.708 12.119 2.322 862 HG21 THR 116 1HG2 THR 116 31.459 12.843 2.484 863 HG22 THR 116 2HG2 THR 116 31.371 11.945 0.968 864 HG23 THR 116 3HG2 THR 116 30.807 13.614 1.038 865 H ARG 117 H ARG 117 33.553 14.563 -2.135 866 HA ARG 117 HA ARG 117 36.310 14.498 -2.664 867 HB2 ARG 117 1HB ARG 117 34.187 16.568 -3.206 868 HB3 ARG 117 2HB ARG 117 35.856 16.781 -3.719 869 HG2 ARG 117 1HG ARG 117 35.514 14.436 -4.815 870 HG3 ARG 117 2HG ARG 117 33.804 14.857 -4.696 871 HD2 ARG 117 1HD ARG 117 34.502 15.578 -6.832 872 HD3 ARG 117 2HD ARG 117 34.396 17.032 -5.840 873 HE ARG 117 HE ARG 117 37.021 15.869 -5.892 874 HH11 ARG 117 2HH1 ARG 117 34.813 18.011 -7.520 875 HH12 ARG 117 1HH1 ARG 117 36.065 18.918 -8.302 876 HH21 ARG 117 2HH2 ARG 117 38.678 17.055 -6.916 877 HH22 ARG 117 1HH2 ARG 117 38.263 18.373 -7.959 878 HA PRO 118 HA PRO 118 38.128 16.852 0.568 879 HB2 PRO 118 1HB PRO 118 40.213 17.986 -0.750 880 HB3 PRO 118 2HB PRO 118 40.162 16.270 -0.328 881 HG2 PRO 118 1HG PRO 118 39.539 17.599 -2.937 882 HG3 PRO 118 2HG PRO 118 40.458 16.114 -2.629 883 HD2 PRO 118 1HD PRO 118 37.878 16.087 -3.450 884 HD3 PRO 118 2HD PRO 118 38.554 14.837 -2.386 885 H HIS 119 H HIS 119 37.297 18.646 1.420 886 HA HIS 119 HA HIS 119 36.078 20.712 0.000 887 HB2 HIS 119 1HB HIS 119 36.026 20.042 2.557 888 HB3 HIS 119 2HB HIS 119 37.279 21.274 2.678 889 HD1 HIS 119 1HD HIS 119 36.507 23.689 1.588 890 HD2 HIS 119 2HD HIS 119 33.516 21.038 2.722 891 HE1 HIS 119 1HE HIS 119 34.422 25.079 1.800 892 HE2 HIS 119 2HE HIS 119 32.645 23.468 2.570 893 H THR 120 H THR 120 36.724 22.715 -0.685 894 HA THR 120 HA THR 120 39.519 23.494 -0.287 895 HB THR 120 HB THR 120 39.718 24.095 -2.701 896 HG1 THR 120 1HG THR 120 37.218 23.768 -2.838 897 HG21 THR 120 1HG2 THR 120 39.804 21.472 -1.518 898 HG22 THR 120 2HG2 THR 120 40.870 22.187 -2.728 899 HG23 THR 120 3HG2 THR 120 39.396 21.360 -3.229 900 H SER 121 H SER 121 39.547 25.507 0.441 901 HA SER 121 HA SER 121 37.299 27.283 -0.191 902 HB2 SER 121 1HB SER 121 37.724 26.983 2.187 903 HB3 SER 121 2HB SER 121 39.409 27.460 1.974 904 HG SER 121 HG SER 121 37.641 29.072 2.669 905 H GLY 122 H GLY 122 37.968 27.915 -2.269 906 HA2 GLY 122 1HA GLY 122 39.785 30.139 -2.283 907 HA3 GLY 122 2HA GLY 122 40.421 28.744 -3.141 908 HA PRO 123 HA PRO 123 36.543 30.642 -5.423 909 HB2 PRO 123 1HB PRO 123 36.557 33.354 -5.300 910 HB3 PRO 123 2HB PRO 123 35.669 32.345 -4.152 911 HG2 PRO 123 1HG PRO 123 38.340 33.663 -3.846 912 HG3 PRO 123 2HG PRO 123 37.006 33.552 -2.682 913 HD2 PRO 123 1HD PRO 123 39.179 31.941 -2.566 914 HD3 PRO 123 2HD PRO 123 37.565 31.406 -2.055 915 H SER 124 H SER 124 39.720 32.114 -5.155 916 HA SER 124 HA SER 124 39.994 33.421 -7.547 917 HB2 SER 124 1HB SER 124 41.701 32.992 -5.597 918 HB3 SER 124 2HB SER 124 42.232 31.655 -6.617 919 HG SER 124 HG SER 124 41.984 34.316 -7.557 920 H SER 125 H SER 125 40.765 29.983 -6.988 921 HA SER 125 HA SER 125 40.784 29.539 -9.876 922 HB2 SER 125 1HB SER 125 41.642 27.845 -7.529 923 HB3 SER 125 2HB SER 125 41.566 27.215 -9.174 924 HG SER 125 HG SER 125 43.194 29.301 -8.169 925 H GLY 126 H GLY 126 39.503 27.947 -10.885 926 HA2 GLY 126 1HA GLY 126 37.760 26.372 -11.005 927 HA3 GLY 126 2HA GLY 126 37.363 26.718 -9.328 Start of MODEL 20 1 H1 GLY 1 H GLY 1 6.015 9.703 32.002 2 HA2 GLY 1 1HA GLY 1 7.523 8.488 30.725 3 HA3 GLY 1 2HA GLY 1 6.035 7.754 30.147 4 H SER 2 H SER 2 8.430 8.013 28.644 5 HA SER 2 HA SER 2 7.358 9.219 26.278 6 HB2 SER 2 1HB SER 2 9.447 10.630 27.862 7 HB3 SER 2 2HB SER 2 9.634 10.613 26.109 8 HG SER 2 HG SER 2 8.037 11.968 25.944 9 H SER 3 H SER 3 7.889 7.856 24.718 10 HA SER 3 HA SER 3 10.558 7.029 24.213 11 HB2 SER 3 1HB SER 3 10.418 4.684 24.685 12 HB3 SER 3 2HB SER 3 9.925 5.533 26.150 13 HG SER 3 HG SER 3 7.709 5.236 25.279 14 H GLY 4 H GLY 4 10.695 6.856 22.078 15 HA2 GLY 4 1HA GLY 4 9.222 5.268 20.397 16 HA3 GLY 4 2HA GLY 4 8.337 6.785 20.451 17 H SER 5 H SER 5 9.091 6.230 18.046 18 HA SER 5 HA SER 5 11.601 7.710 17.595 19 HB2 SER 5 1HB SER 5 10.335 5.687 15.734 20 HB3 SER 5 2HB SER 5 11.910 6.458 15.548 21 HG SER 5 HG SER 5 12.516 4.672 16.525 22 H SER 6 H SER 6 11.677 9.008 15.621 23 HA SER 6 HA SER 6 9.113 10.342 15.181 24 HB2 SER 6 1HB SER 6 10.440 12.179 14.251 25 HB3 SER 6 2HB SER 6 11.045 11.729 15.845 26 HG SER 6 HG SER 6 12.321 10.257 14.048 27 H GLY 7 H GLY 7 8.997 11.350 12.844 28 HA2 GLY 7 1HA GLY 7 9.796 10.720 10.506 29 HA3 GLY 7 2HA GLY 7 9.350 9.089 10.983 30 HA PRO 8 HA PRO 8 5.351 11.821 10.416 31 HB2 PRO 8 1HB PRO 8 5.665 13.801 8.585 32 HB3 PRO 8 2HB PRO 8 5.918 14.045 10.317 33 HG2 PRO 8 1HG PRO 8 7.935 13.570 8.157 34 HG3 PRO 8 2HG PRO 8 7.990 14.720 9.506 35 HD2 PRO 8 1HD PRO 8 9.320 12.362 9.547 36 HD3 PRO 8 2HD PRO 8 8.659 13.112 11.014 37 H ALA 9 H ALA 9 3.801 11.383 8.853 38 HA ALA 9 HA ALA 9 4.551 9.534 6.816 39 HB1 ALA 9 1HB ALA 9 2.457 8.914 7.215 40 HB2 ALA 9 2HB ALA 9 2.120 10.419 8.072 41 HB3 ALA 9 3HB ALA 9 1.920 10.337 6.322 42 H THR 10 H THR 10 3.661 9.802 4.536 43 HA THR 10 HA THR 10 4.907 12.068 3.351 44 HB THR 10 HB THR 10 4.877 9.940 2.175 45 HG1 THR 10 1HG THR 10 4.847 11.939 0.951 46 HG21 THR 10 1HG2 THR 10 2.452 9.475 3.075 47 HG22 THR 10 2HG2 THR 10 2.988 8.783 1.544 48 HG23 THR 10 3HG2 THR 10 1.972 10.224 1.553 49 H ASP 11 H ASP 11 3.907 13.949 4.009 50 HA ASP 11 HA ASP 11 1.047 14.259 3.479 51 HB2 ASP 11 1HB ASP 11 2.179 15.005 5.661 52 HB3 ASP 11 2HB ASP 11 2.849 16.331 4.717 53 H TRP 12 H TRP 12 2.649 13.998 1.211 54 HA TRP 12 HA TRP 12 1.891 16.309 -0.246 55 HB2 TRP 12 1HB TRP 12 4.324 16.817 -0.977 56 HB3 TRP 12 2HB TRP 12 3.756 17.462 0.561 57 HD1 TRP 12 HD TRP 12 5.603 14.235 -0.594 58 HE1 TRP 12 1HE TRP 12 7.427 13.713 1.144 59 HE3 TRP 12 3HE TRP 12 4.724 18.063 2.678 60 HZ2 TRP 12 2HZ TRP 12 8.369 14.783 3.581 61 HZ3 TRP 12 3HZ TRP 12 6.131 18.243 4.688 62 HH2 TRP 12 HH TRP 12 7.915 16.635 5.129 63 H LEU 13 H LEU 13 2.525 16.159 -2.549 64 HA LEU 13 HA LEU 13 3.793 13.888 -3.625 65 HB2 LEU 13 1HB LEU 13 1.963 12.596 -4.423 66 HB3 LEU 13 2HB LEU 13 1.761 12.805 -2.685 67 HG LEU 13 HG LEU 13 0.333 14.660 -4.533 68 HD11 LEU 13 1HD1 LEU 13 -1.122 13.164 -5.327 69 HD12 LEU 13 2HD1 LEU 13 -1.200 12.289 -3.798 70 HD13 LEU 13 3HD1 LEU 13 0.107 11.961 -4.936 71 HD21 LEU 13 1HD2 LEU 13 0.151 15.159 -2.221 72 HD22 LEU 13 2HD2 LEU 13 -0.178 13.475 -1.813 73 HD23 LEU 13 3HD2 LEU 13 -1.376 14.418 -2.700 74 H SER 14 H SER 14 3.376 13.690 -6.019 75 HA SER 14 HA SER 14 2.536 16.272 -7.161 76 HB2 SER 14 1HB SER 14 4.387 16.039 -8.817 77 HB3 SER 14 2HB SER 14 4.961 16.235 -7.161 78 HG SER 14 HG SER 14 5.472 14.094 -7.082 79 H ALA 15 H ALA 15 3.362 12.911 -8.013 80 HA ALA 15 HA ALA 15 1.371 13.015 -10.165 81 HB1 ALA 15 1HB ALA 15 3.744 11.272 -9.637 82 HB2 ALA 15 2HB ALA 15 2.462 10.734 -10.722 83 HB3 ALA 15 3HB ALA 15 3.348 12.219 -11.071 84 H GLU 16 H GLU 16 -0.308 11.539 -10.311 85 HA GLU 16 HA GLU 16 -0.890 10.075 -7.824 86 HB2 GLU 16 1HB GLU 16 -2.488 11.866 -8.342 87 HB3 GLU 16 2HB GLU 16 -2.802 11.137 -9.911 88 HG2 GLU 16 1HG GLU 16 -4.597 10.478 -8.582 89 HG3 GLU 16 2HG GLU 16 -3.537 9.070 -8.627 90 H THR 17 H THR 17 -0.425 7.989 -8.028 91 HA THR 17 HA THR 17 -1.703 6.393 -10.025 92 HB THR 17 HB THR 17 0.208 7.212 -11.351 93 HG1 THR 17 1HG THR 17 0.818 5.164 -12.057 94 HG21 THR 17 1HG2 THR 17 2.413 7.001 -10.735 95 HG22 THR 17 2HG2 THR 17 2.095 5.638 -9.662 96 HG23 THR 17 3HG2 THR 17 1.670 7.274 -9.159 97 H PHE 18 H PHE 18 -1.417 4.111 -9.669 98 HA PHE 18 HA PHE 18 0.175 3.129 -7.517 99 HB2 PHE 18 1HB PHE 18 -1.681 2.450 -6.035 100 HB3 PHE 18 2HB PHE 18 -1.549 4.201 -6.167 101 HD1 PHE 18 1HD PHE 18 -3.120 5.396 -7.764 102 HD2 PHE 18 2HD PHE 18 -3.681 1.364 -6.523 103 HE1 PHE 18 1HE PHE 18 -5.488 5.526 -8.423 104 HE2 PHE 18 2HE PHE 18 -6.049 1.487 -7.180 105 HZ PHE 18 HZ PHE 18 -6.955 3.570 -8.132 106 H GLU 19 H GLU 19 -0.054 0.819 -7.215 107 HA GLU 19 HA GLU 19 -0.798 -0.489 -9.690 108 HB2 GLU 19 1HB GLU 19 0.680 -1.325 -7.218 109 HB3 GLU 19 2HB GLU 19 0.092 -2.539 -8.345 110 HG2 GLU 19 1HG GLU 19 1.875 -0.250 -9.131 111 HG3 GLU 19 2HG GLU 19 2.462 -1.850 -8.682 112 H SER 20 H SER 20 -1.678 -2.897 -9.162 113 HA SER 20 HA SER 20 -3.776 -2.910 -7.179 114 HB2 SER 20 1HB SER 20 -4.739 -1.640 -9.137 115 HB3 SER 20 2HB SER 20 -4.569 -3.114 -10.090 116 HG SER 20 HG SER 20 -5.800 -3.975 -8.060 117 H ASP 21 H ASP 21 -4.083 -4.921 -6.467 118 HA ASP 21 HA ASP 21 -4.104 -7.199 -6.349 119 HB2 ASP 21 1HB ASP 21 -3.591 -7.262 -9.323 120 HB3 ASP 21 2HB ASP 21 -4.327 -8.515 -8.328 121 H LEU 22 H LEU 22 -1.863 -6.094 -5.523 122 HA LEU 22 HA LEU 22 0.365 -7.452 -6.863 123 HB2 LEU 22 1HB LEU 22 0.542 -5.455 -4.622 124 HB3 LEU 22 2HB LEU 22 1.828 -5.983 -5.704 125 HG LEU 22 HG LEU 22 1.299 -3.831 -6.433 126 HD11 LEU 22 1HD1 LEU 22 -0.564 -5.012 -8.341 127 HD12 LEU 22 2HD1 LEU 22 0.896 -5.970 -8.095 128 HD13 LEU 22 3HD1 LEU 22 1.021 -4.285 -8.601 129 HD21 LEU 22 1HD2 LEU 22 -1.580 -4.155 -6.849 130 HD22 LEU 22 2HD2 LEU 22 -0.673 -2.800 -6.176 131 HD23 LEU 22 3HD2 LEU 22 -1.085 -4.180 -5.156 132 H ASP 23 H ASP 23 2.059 -8.375 -5.391 133 HA ASP 23 HA ASP 23 0.751 -10.085 -3.429 134 HB2 ASP 23 1HB ASP 23 3.355 -10.166 -4.904 135 HB3 ASP 23 2HB ASP 23 3.180 -11.090 -3.414 136 H GLU 24 H GLU 24 0.860 -9.753 -1.311 137 HA GLU 24 HA GLU 24 3.021 -8.042 -0.270 138 HB2 GLU 24 1HB GLU 24 0.565 -7.124 -0.354 139 HB3 GLU 24 2HB GLU 24 0.338 -8.149 1.056 140 HG2 GLU 24 1HG GLU 24 2.172 -6.981 2.188 141 HG3 GLU 24 2HG GLU 24 2.357 -5.934 0.782 142 H THR 25 H THR 25 2.821 -10.972 -0.479 143 HA THR 25 HA THR 25 2.621 -11.756 2.341 144 HB THR 25 HB THR 25 2.664 -14.072 1.546 145 HG1 THR 25 1HG THR 25 3.618 -14.333 -0.329 146 HG21 THR 25 1HG2 THR 25 0.494 -14.137 0.592 147 HG22 THR 25 2HG2 THR 25 0.682 -12.536 -0.124 148 HG23 THR 25 3HG2 THR 25 0.528 -12.708 1.624 149 H ARG 26 H ARG 26 4.890 -11.225 -0.203 150 HA ARG 26 HA ARG 26 7.043 -12.280 1.512 151 HB2 ARG 26 1HB ARG 26 8.334 -12.741 -0.510 152 HB3 ARG 26 2HB ARG 26 6.799 -13.597 -0.543 153 HG2 ARG 26 1HG ARG 26 5.891 -12.097 -2.132 154 HG3 ARG 26 2HG ARG 26 7.233 -10.969 -1.931 155 HD2 ARG 26 1HD ARG 26 8.750 -12.446 -2.996 156 HD3 ARG 26 2HD ARG 26 7.599 -13.781 -2.934 157 HE ARG 26 HE ARG 26 7.770 -11.769 -4.938 158 HH11 ARG 26 2HH1 ARG 26 5.529 -13.801 -3.215 159 HH12 ARG 26 1HH1 ARG 26 4.355 -13.809 -4.489 160 HH21 ARG 26 2HH2 ARG 26 6.232 -11.771 -6.622 161 HH22 ARG 26 1HH2 ARG 26 4.756 -12.655 -6.427 162 H VAL 27 H VAL 27 8.906 -11.053 1.739 163 HA VAL 27 HA VAL 27 8.556 -8.221 1.429 164 HB VAL 27 HB VAL 27 10.642 -7.971 2.582 165 HG11 VAL 27 1HG1 VAL 27 8.506 -8.980 3.729 166 HG12 VAL 27 2HG1 VAL 27 9.548 -10.389 3.937 167 HG13 VAL 27 3HG1 VAL 27 10.023 -8.832 4.617 168 HG21 VAL 27 1HG2 VAL 27 12.058 -9.929 3.131 169 HG22 VAL 27 2HG2 VAL 27 11.046 -10.918 2.078 170 HG23 VAL 27 3HG2 VAL 27 11.986 -9.588 1.402 171 HA PRO 28 HA PRO 28 10.549 -7.617 -2.443 172 HB2 PRO 28 1HB PRO 28 11.498 -5.098 -2.094 173 HB3 PRO 28 2HB PRO 28 9.784 -5.453 -2.341 174 HG2 PRO 28 1HG PRO 28 11.259 -4.914 0.208 175 HG3 PRO 28 2HG PRO 28 9.674 -4.314 -0.317 176 HD2 PRO 28 1HD PRO 28 9.952 -6.376 1.417 177 HD3 PRO 28 2HD PRO 28 8.601 -6.268 0.269 178 H GLU 29 H GLU 29 12.282 -9.005 -2.557 179 HA GLU 29 HA GLU 29 14.589 -8.946 -1.002 180 HB2 GLU 29 1HB GLU 29 14.435 -9.811 -3.892 181 HB3 GLU 29 2HB GLU 29 15.607 -10.337 -2.693 182 HG2 GLU 29 1HG GLU 29 12.734 -10.804 -2.126 183 HG3 GLU 29 2HG GLU 29 13.516 -11.805 -3.348 184 H VAL 30 H VAL 30 16.844 -8.633 -2.170 185 HA VAL 30 HA VAL 30 17.532 -6.039 -2.230 186 HB VAL 30 HB VAL 30 19.299 -7.575 -2.399 187 HG11 VAL 30 1HG1 VAL 30 17.726 -9.176 -3.777 188 HG12 VAL 30 2HG1 VAL 30 18.612 -8.497 -5.144 189 HG13 VAL 30 3HG1 VAL 30 19.481 -9.331 -3.855 190 HG21 VAL 30 1HG2 VAL 30 20.578 -6.242 -3.637 191 HG22 VAL 30 2HG2 VAL 30 19.795 -6.779 -5.124 192 HG23 VAL 30 3HG2 VAL 30 19.108 -5.445 -4.196 193 HA PRO 31 HA PRO 31 15.386 -4.215 -5.650 194 HB2 PRO 31 1HB PRO 31 16.660 -1.818 -5.596 195 HB3 PRO 31 2HB PRO 31 15.419 -2.273 -4.423 196 HG2 PRO 31 1HG PRO 31 18.400 -2.341 -4.151 197 HG3 PRO 31 2HG PRO 31 17.182 -1.793 -2.984 198 HD2 PRO 31 1HD PRO 31 18.359 -4.227 -2.828 199 HD3 PRO 31 2HD PRO 31 16.687 -3.938 -2.303 200 H SER 32 H SER 32 15.964 -3.052 -7.704 201 HA SER 32 HA SER 32 17.583 -4.520 -9.335 202 HB2 SER 32 1HB SER 32 16.059 -2.965 -10.318 203 HB3 SER 32 2HB SER 32 16.835 -1.598 -9.519 204 HG SER 32 HG SER 32 18.541 -1.757 -10.880 205 H SER 33 H SER 33 18.497 -1.400 -7.867 206 HA SER 33 HA SER 33 21.142 -2.256 -7.289 207 HB2 SER 33 1HB SER 33 20.731 -0.506 -9.716 208 HB3 SER 33 2HB SER 33 22.269 -0.607 -8.859 209 HG SER 33 HG SER 33 21.921 -3.005 -9.206 210 H LEU 34 H LEU 34 22.543 -0.041 -7.003 211 HA LEU 34 HA LEU 34 20.948 2.138 -5.981 212 HB2 LEU 34 1HB LEU 34 20.759 0.975 -4.009 213 HB3 LEU 34 2HB LEU 34 22.315 0.172 -4.211 214 HG LEU 34 HG LEU 34 23.315 2.520 -3.773 215 HD11 LEU 34 1HD1 LEU 34 21.668 3.633 -2.038 216 HD12 LEU 34 2HD1 LEU 34 20.451 2.886 -3.073 217 HD13 LEU 34 3HD1 LEU 34 21.607 4.030 -3.755 218 HD21 LEU 34 1HD2 LEU 34 22.822 0.327 -2.197 219 HD22 LEU 34 2HD2 LEU 34 22.136 1.650 -1.252 220 HD23 LEU 34 3HD2 LEU 34 23.826 1.708 -1.756 221 H HIS 35 H HIS 35 21.979 3.882 -6.668 222 HA HIS 35 HA HIS 35 24.913 3.813 -6.861 223 HB2 HIS 35 1HB HIS 35 23.971 4.247 -9.003 224 HB3 HIS 35 2HB HIS 35 22.837 5.423 -8.344 225 HD1 HIS 35 1HD HIS 35 23.522 7.793 -8.562 226 HD2 HIS 35 2HD HIS 35 26.771 5.213 -8.783 227 HE1 HIS 35 1HE HIS 35 25.503 9.251 -9.084 228 HE2 HIS 35 2HE HIS 35 27.442 7.658 -9.297 229 H VAL 36 H VAL 36 26.158 5.414 -5.951 230 HA VAL 36 HA VAL 36 24.766 7.457 -4.357 231 HB VAL 36 HB VAL 36 26.419 7.147 -2.543 232 HG11 VAL 36 1HG1 VAL 36 25.464 4.496 -2.374 233 HG12 VAL 36 2HG1 VAL 36 24.792 5.946 -1.626 234 HG13 VAL 36 3HG1 VAL 36 24.237 5.437 -3.221 235 HG21 VAL 36 1HG2 VAL 36 28.244 6.156 -3.739 236 HG22 VAL 36 2HG2 VAL 36 27.713 5.017 -2.502 237 HG23 VAL 36 3HG2 VAL 36 27.258 4.763 -4.186 238 H ARG 37 H ARG 37 25.561 9.450 -4.592 239 HA ARG 37 HA ARG 37 28.159 9.743 -5.949 240 HB2 ARG 37 1HB ARG 37 25.872 10.581 -6.970 241 HB3 ARG 37 2HB ARG 37 26.141 11.945 -5.893 242 HG2 ARG 37 1HG ARG 37 28.329 11.064 -7.716 243 HG3 ARG 37 2HG ARG 37 26.988 12.019 -8.353 244 HD2 ARG 37 1HD ARG 37 27.439 13.666 -6.496 245 HD3 ARG 37 2HD ARG 37 28.920 12.767 -6.169 246 HE ARG 37 HE ARG 37 28.606 13.641 -8.904 247 HH11 ARG 37 2HH1 ARG 37 29.847 14.393 -5.739 248 HH12 ARG 37 1HH1 ARG 37 31.018 15.528 -6.325 249 HH21 ARG 37 2HH2 ARG 37 30.143 15.133 -9.687 250 HH22 ARG 37 1HH2 ARG 37 31.184 15.949 -8.571 251 HA PRO 38 HA PRO 38 29.286 11.442 -1.938 252 HB2 PRO 38 1HB PRO 38 31.945 11.538 -2.475 253 HB3 PRO 38 2HB PRO 38 31.115 10.052 -1.999 254 HG2 PRO 38 1HG PRO 38 31.900 10.992 -4.731 255 HG3 PRO 38 2HG PRO 38 32.036 9.372 -4.023 256 HD2 PRO 38 1HD PRO 38 30.041 10.056 -5.721 257 HD3 PRO 38 2HD PRO 38 29.819 8.878 -4.411 258 H LEU 39 H LEU 39 29.206 13.532 -1.425 259 HA LEU 39 HA LEU 39 30.282 15.495 -3.342 260 HB2 LEU 39 1HB LEU 39 27.707 15.400 -1.874 261 HB3 LEU 39 2HB LEU 39 28.475 16.975 -2.060 262 HG LEU 39 HG LEU 39 28.564 16.187 -4.604 263 HD11 LEU 39 1HD1 LEU 39 27.557 14.008 -4.165 264 HD12 LEU 39 2HD1 LEU 39 26.525 14.993 -5.201 265 HD13 LEU 39 3HD1 LEU 39 26.130 14.797 -3.493 266 HD21 LEU 39 1HD2 LEU 39 26.709 17.590 -5.003 267 HD22 LEU 39 2HD2 LEU 39 27.472 18.208 -3.538 268 HD23 LEU 39 3HD2 LEU 39 26.004 17.236 -3.426 269 H VAL 40 H VAL 40 31.139 17.445 -2.441 270 HA VAL 40 HA VAL 40 33.023 17.334 -0.586 271 HB VAL 40 HB VAL 40 31.114 19.672 -0.702 272 HG11 VAL 40 1HG1 VAL 40 33.152 19.293 1.046 273 HG12 VAL 40 2HG1 VAL 40 33.987 20.110 -0.277 274 HG13 VAL 40 3HG1 VAL 40 32.593 20.871 0.493 275 HG21 VAL 40 1HG2 VAL 40 31.707 19.626 -2.885 276 HG22 VAL 40 2HG2 VAL 40 33.162 20.411 -2.271 277 HG23 VAL 40 3HG2 VAL 40 33.162 18.676 -2.584 278 H THR 41 H THR 41 29.954 18.776 0.485 279 HA THR 41 HA THR 41 30.340 17.435 3.082 280 HB THR 41 HB THR 41 29.059 19.299 4.091 281 HG1 THR 41 1HG THR 41 28.901 20.053 1.407 282 HG21 THR 41 1HG2 THR 41 31.588 19.283 3.872 283 HG22 THR 41 2HG2 THR 41 30.841 20.860 4.129 284 HG23 THR 41 3HG2 THR 41 31.382 20.392 2.518 285 H SER 42 H SER 42 28.875 16.503 0.657 286 HA SER 42 HA SER 42 26.426 15.754 2.025 287 HB2 SER 42 1HB SER 42 26.253 16.950 -0.745 288 HB3 SER 42 2HB SER 42 24.922 16.482 0.313 289 HG SER 42 HG SER 42 26.760 18.606 0.707 290 H ILE 43 H ILE 43 25.101 14.297 0.363 291 HA ILE 43 HA ILE 43 26.750 12.784 -1.451 292 HB ILE 43 HB ILE 43 25.758 11.478 1.086 293 HG12 ILE 43 1HG1 ILE 43 28.538 11.975 0.001 294 HG13 ILE 43 2HG1 ILE 43 27.828 12.685 1.447 295 HG21 ILE 43 1HG2 ILE 43 26.391 9.400 0.227 296 HG22 ILE 43 2HG2 ILE 43 25.543 10.178 -1.108 297 HG23 ILE 43 3HG2 ILE 43 27.306 10.123 -1.096 298 HD11 ILE 43 1HD1 ILE 43 27.590 10.098 2.071 299 HD12 ILE 43 2HD1 ILE 43 29.008 10.020 1.025 300 HD13 ILE 43 3HD1 ILE 43 29.018 11.060 2.449 301 H VAL 44 H VAL 44 25.409 12.585 -3.114 302 HA VAL 44 HA VAL 44 22.545 12.433 -2.731 303 HB VAL 44 HB VAL 44 24.180 12.354 -5.271 304 HG11 VAL 44 1HG1 VAL 44 21.658 11.435 -5.025 305 HG12 VAL 44 2HG1 VAL 44 21.342 13.143 -5.339 306 HG13 VAL 44 3HG1 VAL 44 22.287 12.194 -6.487 307 HG21 VAL 44 1HG2 VAL 44 22.817 14.707 -5.281 308 HG22 VAL 44 2HG2 VAL 44 23.188 14.526 -3.567 309 HG23 VAL 44 3HG2 VAL 44 24.490 14.519 -4.756 310 H VAL 45 H VAL 45 21.944 10.483 -1.924 311 HA VAL 45 HA VAL 45 23.009 8.034 -3.086 312 HB VAL 45 HB VAL 45 21.045 8.438 -0.826 313 HG11 VAL 45 1HG1 VAL 45 22.443 5.905 -1.672 314 HG12 VAL 45 2HG1 VAL 45 21.265 6.089 -0.372 315 HG13 VAL 45 3HG1 VAL 45 20.765 6.293 -2.051 316 HG21 VAL 45 1HG2 VAL 45 23.512 9.148 -0.579 317 HG22 VAL 45 2HG2 VAL 45 22.803 8.119 0.665 318 HG23 VAL 45 3HG2 VAL 45 23.850 7.417 -0.569 319 H SER 46 H SER 46 22.134 7.693 -5.064 320 HA SER 46 HA SER 46 19.224 7.896 -5.367 321 HB2 SER 46 1HB SER 46 19.546 8.142 -7.667 322 HB3 SER 46 2HB SER 46 20.949 8.973 -6.997 323 HG SER 46 HG SER 46 21.633 7.591 -8.621 324 H TRP 47 H TRP 47 17.959 6.170 -5.880 325 HA TRP 47 HA TRP 47 19.245 3.576 -6.325 326 HB2 TRP 47 1HB TRP 47 17.784 2.490 -4.683 327 HB3 TRP 47 2HB TRP 47 18.791 3.715 -3.915 328 HD1 TRP 47 HD TRP 47 15.151 2.984 -4.849 329 HE1 TRP 47 1HE TRP 47 13.628 4.590 -3.535 330 HE3 TRP 47 3HE TRP 47 18.731 6.003 -2.797 331 HZ2 TRP 47 2HZ TRP 47 13.907 6.839 -1.852 332 HZ3 TRP 47 3HZ TRP 47 18.020 7.859 -1.348 333 HH2 TRP 47 HH TRP 47 15.657 8.267 -0.886 334 H THR 48 H THR 48 17.299 1.889 -6.625 335 HA THR 48 HA THR 48 15.146 3.098 -8.189 336 HB THR 48 HB THR 48 15.516 1.491 -10.053 337 HG1 THR 48 1HG THR 48 17.517 0.418 -10.152 338 HG21 THR 48 1HG2 THR 48 17.718 3.458 -9.437 339 HG22 THR 48 2HG2 THR 48 16.263 3.735 -10.394 340 HG23 THR 48 3HG2 THR 48 17.526 2.665 -11.000 341 HA PRO 49 HA PRO 49 12.690 -0.073 -6.397 342 HB2 PRO 49 1HB PRO 49 10.789 -0.387 -8.310 343 HB3 PRO 49 2HB PRO 49 10.866 1.030 -7.255 344 HG2 PRO 49 1HG PRO 49 11.832 0.709 -10.071 345 HG3 PRO 49 2HG PRO 49 10.959 2.067 -9.335 346 HD2 PRO 49 1HD PRO 49 13.637 2.103 -9.739 347 HD3 PRO 49 2HD PRO 49 12.866 2.934 -8.372 348 HA PRO 50 HA PRO 50 13.844 -4.033 -7.925 349 HB2 PRO 50 1HB PRO 50 11.741 -5.554 -7.129 350 HB3 PRO 50 2HB PRO 50 12.944 -4.912 -6.003 351 HG2 PRO 50 1HG PRO 50 10.212 -3.874 -6.652 352 HG3 PRO 50 2HG PRO 50 11.005 -4.028 -5.073 353 HD2 PRO 50 1HD PRO 50 10.856 -1.675 -6.406 354 HD3 PRO 50 2HD PRO 50 12.227 -2.094 -5.358 355 H GLU 51 H GLU 51 13.836 -4.796 -9.938 356 HA GLU 51 HA GLU 51 12.231 -4.086 -11.999 357 HB2 GLU 51 1HB GLU 51 12.812 -6.400 -12.989 358 HB3 GLU 51 2HB GLU 51 14.127 -5.302 -12.597 359 HG2 GLU 51 1HG GLU 51 14.633 -6.497 -10.600 360 HG3 GLU 51 2HG GLU 51 13.183 -7.487 -10.761 361 H ASN 52 H ASN 52 11.596 -6.621 -9.646 362 HA ASN 52 HA ASN 52 9.317 -7.696 -10.964 363 HB2 ASN 52 1HB ASN 52 10.643 -8.927 -9.254 364 HB3 ASN 52 2HB ASN 52 10.022 -7.829 -8.025 365 HD21 ASN 52 1HD2 ASN 52 9.639 -10.785 -9.339 366 HD22 ASN 52 2HD2 ASN 52 7.978 -11.071 -8.959 367 H GLN 53 H GLN 53 7.801 -6.182 -11.478 368 HA GLN 53 HA GLN 53 6.900 -4.251 -9.526 369 HB2 GLN 53 1HB GLN 53 6.331 -4.808 -12.401 370 HB3 GLN 53 2HB GLN 53 5.145 -3.894 -11.479 371 HG2 GLN 53 1HG GLN 53 8.047 -3.171 -11.815 372 HG3 GLN 53 2HG GLN 53 6.691 -2.435 -12.667 373 HE21 GLN 53 1HE2 GLN 53 8.354 -2.732 -9.632 374 HE22 GLN 53 2HE2 GLN 53 7.590 -1.395 -8.849 375 H ASN 54 H ASN 54 6.539 -6.936 -8.712 376 HA ASN 54 HA ASN 54 3.597 -7.098 -8.672 377 HB2 ASN 54 1HB ASN 54 5.400 -9.487 -8.326 378 HB3 ASN 54 2HB ASN 54 3.678 -9.460 -8.695 379 HD21 ASN 54 1HD2 ASN 54 3.299 -8.000 -10.776 380 HD22 ASN 54 2HD2 ASN 54 4.261 -8.477 -12.130 381 H ILE 55 H ILE 55 6.526 -6.970 -6.892 382 HA ILE 55 HA ILE 55 5.346 -7.887 -4.408 383 HB ILE 55 HB ILE 55 8.042 -6.605 -4.862 384 HG12 ILE 55 1HG1 ILE 55 7.467 -9.547 -4.526 385 HG13 ILE 55 2HG1 ILE 55 7.559 -8.783 -6.109 386 HG21 ILE 55 1HG2 ILE 55 8.106 -8.332 -2.667 387 HG22 ILE 55 2HG2 ILE 55 8.158 -6.570 -2.644 388 HG23 ILE 55 3HG2 ILE 55 6.613 -7.408 -2.497 389 HD11 ILE 55 1HD1 ILE 55 9.812 -8.492 -5.989 390 HD12 ILE 55 2HD1 ILE 55 9.819 -8.388 -4.228 391 HD13 ILE 55 3HD1 ILE 55 9.640 -9.954 -5.019 392 H VAL 56 H VAL 56 4.392 -6.643 -2.933 393 HA VAL 56 HA VAL 56 3.928 -3.877 -3.432 394 HB VAL 56 HB VAL 56 3.347 -5.520 -0.964 395 HG11 VAL 56 1HG1 VAL 56 1.556 -3.371 -1.190 396 HG12 VAL 56 2HG1 VAL 56 2.810 -3.606 0.029 397 HG13 VAL 56 3HG1 VAL 56 3.165 -2.696 -1.440 398 HG21 VAL 56 1HG2 VAL 56 2.278 -6.090 -3.257 399 HG22 VAL 56 2HG2 VAL 56 1.245 -5.968 -1.832 400 HG23 VAL 56 3HG2 VAL 56 1.323 -4.632 -2.981 401 H VAL 57 H VAL 57 5.534 -2.448 -3.222 402 HA VAL 57 HA VAL 57 7.375 -2.698 -0.946 403 HB VAL 57 HB VAL 57 7.634 -1.006 -3.437 404 HG11 VAL 57 1HG1 VAL 57 8.813 0.100 -1.721 405 HG12 VAL 57 2HG1 VAL 57 9.437 -1.416 -1.065 406 HG13 VAL 57 3HG1 VAL 57 10.027 -0.815 -2.615 407 HG21 VAL 57 1HG2 VAL 57 9.151 -2.588 -4.271 408 HG22 VAL 57 2HG2 VAL 57 9.295 -3.402 -2.714 409 HG23 VAL 57 3HG2 VAL 57 7.808 -3.547 -3.650 410 H ARG 58 H ARG 58 6.856 -1.539 0.781 411 HA ARG 58 HA ARG 58 5.116 0.756 0.586 412 HB2 ARG 58 1HB ARG 58 6.537 -0.366 3.007 413 HB3 ARG 58 2HB ARG 58 5.212 0.789 3.017 414 HG2 ARG 58 1HG ARG 58 5.014 -2.020 1.956 415 HG3 ARG 58 2HG ARG 58 4.528 -1.519 3.577 416 HD2 ARG 58 1HD ARG 58 3.430 -0.119 1.173 417 HD3 ARG 58 2HD ARG 58 2.752 -1.664 1.684 418 HE ARG 58 HE ARG 58 1.878 -0.639 3.571 419 HH11 ARG 58 2HH1 ARG 58 3.904 1.566 1.795 420 HH12 ARG 58 1HH1 ARG 58 3.364 2.965 2.661 421 HH21 ARG 58 2HH2 ARG 58 1.158 1.196 4.718 422 HH22 ARG 58 1HH2 ARG 58 1.802 2.754 4.324 423 H GLY 59 H GLY 59 8.493 0.137 1.487 424 HA2 GLY 59 1HA GLY 59 9.347 2.677 0.534 425 HA3 GLY 59 2HA GLY 59 9.240 2.680 2.288 426 H TYR 60 H TYR 60 11.640 3.186 1.581 427 HA TYR 60 HA TYR 60 13.102 0.634 1.760 428 HB2 TYR 60 1HB TYR 60 14.148 3.110 0.385 429 HB3 TYR 60 2HB TYR 60 14.852 1.497 0.375 430 HD1 TYR 60 2HD TYR 60 12.126 3.594 -0.936 431 HD2 TYR 60 1HD TYR 60 14.048 -0.198 -1.122 432 HE1 TYR 60 2HE TYR 60 10.897 3.079 -3.003 433 HE2 TYR 60 1HE TYR 60 12.825 -0.723 -3.191 434 HH TYR 60 HH TYR 60 10.998 1.657 -4.899 435 H ALA 61 H ALA 61 15.372 0.976 2.638 436 HA ALA 61 HA ALA 61 15.406 3.097 4.677 437 HB1 ALA 61 1HB ALA 61 14.720 0.877 5.623 438 HB2 ALA 61 2HB ALA 61 16.324 0.277 5.198 439 HB3 ALA 61 3HB ALA 61 16.153 1.593 6.361 440 H ILE 62 H ILE 62 17.169 4.307 4.528 441 HA ILE 62 HA ILE 62 19.496 3.251 3.090 442 HB ILE 62 HB ILE 62 18.833 6.101 3.841 443 HG12 ILE 62 1HG1 ILE 62 18.932 5.110 1.028 444 HG13 ILE 62 2HG1 ILE 62 17.512 4.722 1.993 445 HG21 ILE 62 1HG2 ILE 62 21.307 5.209 3.485 446 HG22 ILE 62 2HG2 ILE 62 20.866 5.422 1.792 447 HG23 ILE 62 3HG2 ILE 62 20.788 6.790 2.902 448 HD11 ILE 62 1HD1 ILE 62 16.836 6.906 2.120 449 HD12 ILE 62 2HD1 ILE 62 18.466 7.539 1.881 450 HD13 ILE 62 3HD1 ILE 62 17.572 6.866 0.518 451 H GLY 63 H GLY 63 21.484 3.068 4.004 452 HA2 GLY 63 1HA GLY 63 21.813 4.025 6.771 453 HA3 GLY 63 2HA GLY 63 22.179 2.354 6.369 454 H TYR 64 H TYR 64 23.603 5.171 7.014 455 HA TYR 64 HA TYR 64 25.891 4.586 5.253 456 HB2 TYR 64 1HB TYR 64 26.408 7.060 5.399 457 HB3 TYR 64 2HB TYR 64 24.986 6.638 4.450 458 HD1 TYR 64 1HD TYR 64 22.710 6.692 5.764 459 HD2 TYR 64 2HD TYR 64 26.236 8.735 6.987 460 HE1 TYR 64 1HE TYR 64 21.345 8.224 7.120 461 HE2 TYR 64 2HE TYR 64 24.881 10.272 8.348 462 HH TYR 64 HH TYR 64 21.369 10.206 8.244 463 H GLY 65 H GLY 65 27.954 5.660 6.171 464 HA2 GLY 65 1HA GLY 65 28.529 6.421 8.666 465 HA3 GLY 65 2HA GLY 65 28.217 4.708 8.907 466 H ILE 66 H ILE 66 30.693 6.358 9.175 467 HA ILE 66 HA ILE 66 32.513 5.843 7.126 468 HB ILE 66 HB ILE 66 33.041 6.051 10.092 469 HG12 ILE 66 1HG1 ILE 66 31.968 8.043 9.181 470 HG13 ILE 66 2HG1 ILE 66 33.655 8.384 9.553 471 HG21 ILE 66 1HG2 ILE 66 34.903 6.096 7.730 472 HG22 ILE 66 2HG2 ILE 66 35.346 6.716 9.319 473 HG23 ILE 66 3HG2 ILE 66 34.937 5.012 9.120 474 HD11 ILE 66 1HD1 ILE 66 33.375 9.393 7.505 475 HD12 ILE 66 2HD1 ILE 66 34.050 7.827 7.056 476 HD13 ILE 66 3HD1 ILE 66 32.318 8.117 6.901 477 H GLY 67 H GLY 67 32.770 3.871 6.264 478 HA2 GLY 67 1HA GLY 67 33.629 1.726 6.139 479 HA3 GLY 67 2HA GLY 67 33.979 1.806 7.859 480 H SER 68 H SER 68 31.520 2.217 8.962 481 HA SER 68 HA SER 68 30.052 -0.209 8.158 482 HB2 SER 68 1HB SER 68 30.256 1.000 10.927 483 HB3 SER 68 2HB SER 68 29.410 -0.487 10.499 484 HG SER 68 HG SER 68 32.146 0.012 10.719 485 HA PRO 69 HA PRO 69 26.773 2.676 7.282 486 HB2 PRO 69 1HB PRO 69 24.952 0.805 6.538 487 HB3 PRO 69 2HB PRO 69 26.277 1.326 5.490 488 HG2 PRO 69 1HG PRO 69 26.073 -1.112 7.215 489 HG3 PRO 69 2HG PRO 69 26.691 -0.961 5.560 490 HD2 PRO 69 1HD PRO 69 28.322 -1.094 7.718 491 HD3 PRO 69 2HD PRO 69 28.737 -0.166 6.262 492 H HIS 70 H HIS 70 27.090 0.631 9.859 493 HA HIS 70 HA HIS 70 24.363 0.815 10.832 494 HB2 HIS 70 1HB HIS 70 25.066 -0.550 12.647 495 HB3 HIS 70 2HB HIS 70 25.879 -1.183 11.218 496 HD1 HIS 70 1HD HIS 70 27.030 -1.795 13.967 497 HD2 HIS 70 2HD HIS 70 28.165 1.487 11.686 498 HE1 HIS 70 1HE HIS 70 29.315 -1.156 14.799 499 HE2 HIS 70 2HE HIS 70 29.945 0.884 13.463 500 H ALA 71 H ALA 71 25.431 3.324 10.368 501 HA ALA 71 HA ALA 71 26.033 4.351 13.059 502 HB1 ALA 71 1HB ALA 71 26.541 6.471 11.516 503 HB2 ALA 71 2HB ALA 71 27.740 5.221 11.849 504 HB3 ALA 71 3HB ALA 71 26.831 5.191 10.338 505 H GLN 72 H GLN 72 24.200 5.226 10.126 506 HA GLN 72 HA GLN 72 22.053 6.229 11.846 507 HB2 GLN 72 1HB GLN 72 23.624 7.795 9.858 508 HB3 GLN 72 2HB GLN 72 21.897 8.108 9.971 509 HG2 GLN 72 1HG GLN 72 23.999 8.458 12.078 510 HG3 GLN 72 2HG GLN 72 22.914 9.666 11.391 511 HE21 GLN 72 1HE2 GLN 72 23.462 7.638 13.967 512 HE22 GLN 72 2HE2 GLN 72 21.888 7.672 14.679 513 H THR 73 H THR 73 19.987 6.317 10.831 514 HA THR 73 HA THR 73 19.789 4.953 8.238 515 HB THR 73 HB THR 73 18.025 4.253 10.589 516 HG1 THR 73 1HG THR 73 19.429 2.742 11.093 517 HG21 THR 73 1HG2 THR 73 17.776 3.825 7.807 518 HG22 THR 73 2HG2 THR 73 16.774 3.166 9.100 519 HG23 THR 73 3HG2 THR 73 18.183 2.270 8.533 520 H ILE 74 H ILE 74 18.392 5.887 6.882 521 HA ILE 74 HA ILE 74 16.478 7.833 7.997 522 HB ILE 74 HB ILE 74 17.826 7.925 5.295 523 HG12 ILE 74 1HG1 ILE 74 18.194 9.785 7.649 524 HG13 ILE 74 2HG1 ILE 74 19.277 8.443 7.294 525 HG21 ILE 74 1HG2 ILE 74 16.665 10.397 5.980 526 HG22 ILE 74 2HG2 ILE 74 16.189 9.294 4.690 527 HG23 ILE 74 3HG2 ILE 74 15.446 9.160 6.284 528 HD11 ILE 74 1HD1 ILE 74 20.422 9.751 5.936 529 HD12 ILE 74 2HD1 ILE 74 18.991 9.956 4.926 530 HD13 ILE 74 3HD1 ILE 74 19.304 11.077 6.250 531 H LYS 75 H LYS 75 14.446 7.188 7.824 532 HA LYS 75 HA LYS 75 13.716 5.278 5.725 533 HB2 LYS 75 1HB LYS 75 12.520 6.028 8.369 534 HB3 LYS 75 2HB LYS 75 11.520 5.261 7.143 535 HG2 LYS 75 1HG LYS 75 13.513 3.538 7.086 536 HG3 LYS 75 2HG LYS 75 13.780 4.154 8.718 537 HD2 LYS 75 1HD LYS 75 11.431 3.635 9.266 538 HD3 LYS 75 2HD LYS 75 11.223 2.958 7.649 539 HE2 LYS 75 1HE LYS 75 13.137 1.398 8.206 540 HE3 LYS 75 2HE LYS 75 12.987 1.955 9.872 541 HZ1 LYS 75 1HZ LYS 75 10.748 1.140 9.948 542 HZ2 LYS 75 2HZ LYS 75 11.757 -0.112 9.425 543 HZ3 LYS 75 3HZ LYS 75 10.787 0.713 8.311 544 H VAL 76 H VAL 76 12.654 5.930 3.980 545 HA VAL 76 HA VAL 76 10.891 8.265 4.155 546 HB VAL 76 HB VAL 76 11.732 9.151 2.027 547 HG11 VAL 76 1HG1 VAL 76 12.852 10.435 3.466 548 HG12 VAL 76 2HG1 VAL 76 13.237 9.067 4.512 549 HG13 VAL 76 3HG1 VAL 76 14.252 9.423 3.115 550 HG21 VAL 76 1HG2 VAL 76 14.204 8.128 1.602 551 HG22 VAL 76 2HG2 VAL 76 13.331 6.684 2.115 552 HG23 VAL 76 3HG2 VAL 76 12.757 7.617 0.733 553 H ASP 77 H ASP 77 9.431 8.447 2.275 554 HA ASP 77 HA ASP 77 8.083 6.056 1.768 555 HB2 ASP 77 1HB ASP 77 7.985 8.791 0.542 556 HB3 ASP 77 2HB ASP 77 7.054 7.477 -0.172 557 H TYR 78 H TYR 78 7.719 4.978 -0.292 558 HA TYR 78 HA TYR 78 10.109 4.144 -1.503 559 HB2 TYR 78 1HB TYR 78 8.681 2.916 -3.068 560 HB3 TYR 78 2HB TYR 78 8.088 2.747 -1.419 561 HD1 TYR 78 2HD TYR 78 6.034 3.918 -0.714 562 HD2 TYR 78 1HD TYR 78 7.379 4.023 -4.749 563 HE1 TYR 78 2HE TYR 78 3.812 4.694 -1.428 564 HE2 TYR 78 1HE TYR 78 5.161 4.801 -5.475 565 HH TYR 78 HH TYR 78 3.020 5.106 -4.845 566 H LYS 79 H LYS 79 7.507 6.228 -2.750 567 HA LYS 79 HA LYS 79 8.245 6.783 -5.263 568 HB2 LYS 79 1HB LYS 79 7.299 8.640 -3.100 569 HB3 LYS 79 2HB LYS 79 7.635 9.250 -4.715 570 HG2 LYS 79 1HG LYS 79 6.005 7.682 -5.646 571 HG3 LYS 79 2HG LYS 79 5.665 7.079 -4.022 572 HD2 LYS 79 1HD LYS 79 5.214 9.627 -3.532 573 HD3 LYS 79 2HD LYS 79 4.947 9.687 -5.276 574 HE2 LYS 79 1HE LYS 79 3.077 8.374 -5.171 575 HE3 LYS 79 2HE LYS 79 3.624 7.520 -3.729 576 HZ1 LYS 79 1HZ LYS 79 2.208 8.817 -2.636 577 HZ2 LYS 79 2HZ LYS 79 1.999 9.866 -3.946 578 HZ3 LYS 79 3HZ LYS 79 3.298 10.087 -2.886 579 H GLN 80 H GLN 80 9.724 8.338 -2.422 580 HA GLN 80 HA GLN 80 11.471 10.080 -3.472 581 HB2 GLN 80 1HB GLN 80 11.893 8.076 -1.271 582 HB3 GLN 80 2HB GLN 80 13.144 9.235 -1.698 583 HG2 GLN 80 1HG GLN 80 10.400 9.780 -0.614 584 HG3 GLN 80 2HG GLN 80 11.961 10.166 0.110 585 HE21 GLN 80 1HE2 GLN 80 9.400 11.336 -1.672 586 HE22 GLN 80 2HE2 GLN 80 10.124 12.792 -2.257 587 H ARG 81 H ARG 81 12.690 9.965 -5.232 588 HA ARG 81 HA ARG 81 13.680 7.491 -6.268 589 HB2 ARG 81 1HB ARG 81 13.147 9.070 -7.914 590 HB3 ARG 81 2HB ARG 81 13.967 10.372 -7.062 591 HG2 ARG 81 1HG ARG 81 15.268 9.820 -8.970 592 HG3 ARG 81 2HG ARG 81 16.129 9.225 -7.549 593 HD2 ARG 81 1HD ARG 81 16.243 7.518 -9.198 594 HD3 ARG 81 2HD ARG 81 15.087 6.983 -7.979 595 HE ARG 81 HE ARG 81 13.502 6.938 -9.611 596 HH11 ARG 81 2HH1 ARG 81 16.033 9.115 -10.599 597 HH12 ARG 81 1HH1 ARG 81 15.339 9.423 -12.156 598 HH21 ARG 81 2HH2 ARG 81 12.578 7.337 -11.658 599 HH22 ARG 81 1HH2 ARG 81 13.373 8.412 -12.757 600 H TYR 82 H TYR 82 15.108 10.250 -4.586 601 HA TYR 82 HA TYR 82 17.316 8.602 -3.716 602 HB2 TYR 82 1HB TYR 82 19.081 9.832 -4.683 603 HB3 TYR 82 2HB TYR 82 17.944 9.570 -6.000 604 HD1 TYR 82 2HD TYR 82 16.429 11.454 -6.693 605 HD2 TYR 82 1HD TYR 82 19.667 12.016 -3.991 606 HE1 TYR 82 2HE TYR 82 16.352 13.876 -7.114 607 HE2 TYR 82 1HE TYR 82 19.598 14.440 -4.403 608 HH TYR 82 HH TYR 82 18.593 16.097 -5.477 609 H TYR 83 H TYR 83 18.770 9.832 -2.215 610 HA TYR 83 HA TYR 83 17.355 12.054 -0.905 611 HB2 TYR 83 1HB TYR 83 17.019 9.863 0.291 612 HB3 TYR 83 2HB TYR 83 18.755 9.825 0.579 613 HD1 TYR 83 2HD TYR 83 19.799 11.562 2.028 614 HD2 TYR 83 1HD TYR 83 15.579 11.225 1.607 615 HE1 TYR 83 2HE TYR 83 19.494 12.910 4.062 616 HE2 TYR 83 1HE TYR 83 15.262 12.573 3.640 617 HH TYR 83 HH TYR 83 16.911 13.008 5.834 618 H THR 84 H THR 84 18.619 13.662 -0.055 619 HA THR 84 HA THR 84 21.474 13.524 -0.739 620 HB THR 84 HB THR 84 19.773 15.969 -0.213 621 HG1 THR 84 1HG THR 84 19.254 14.918 -2.190 622 HG21 THR 84 1HG2 THR 84 22.346 15.971 0.217 623 HG22 THR 84 2HG2 THR 84 21.615 17.285 -0.704 624 HG23 THR 84 3HG2 THR 84 22.454 15.980 -1.543 625 H ILE 85 H ILE 85 22.593 12.827 0.983 626 HA ILE 85 HA ILE 85 21.840 13.631 3.670 627 HB ILE 85 HB ILE 85 24.216 11.966 2.843 628 HG12 ILE 85 1HG1 ILE 85 21.538 10.928 3.770 629 HG13 ILE 85 2HG1 ILE 85 21.953 11.093 2.067 630 HG21 ILE 85 1HG2 ILE 85 22.737 12.158 5.464 631 HG22 ILE 85 2HG2 ILE 85 24.145 11.151 5.129 632 HG23 ILE 85 3HG2 ILE 85 24.293 12.908 5.110 633 HD11 ILE 85 1HD1 ILE 85 22.347 8.845 2.659 634 HD12 ILE 85 2HD1 ILE 85 23.930 9.610 2.526 635 HD13 ILE 85 3HD1 ILE 85 23.228 9.307 4.115 636 H GLU 86 H GLU 86 22.395 15.658 4.194 637 HA GLU 86 HA GLU 86 25.040 16.656 3.406 638 HB2 GLU 86 1HB GLU 86 22.682 18.168 4.545 639 HB3 GLU 86 2HB GLU 86 24.185 18.877 3.972 640 HG2 GLU 86 1HG GLU 86 23.689 18.463 1.751 641 HG3 GLU 86 2HG GLU 86 22.512 17.211 2.144 642 H ASN 87 H ASN 87 26.037 18.184 5.092 643 HA ASN 87 HA ASN 87 26.902 18.566 7.171 644 HB2 ASN 87 1HB ASN 87 24.822 16.718 8.335 645 HB3 ASN 87 2HB ASN 87 25.663 18.048 9.126 646 HD21 ASN 87 1HD2 ASN 87 22.809 17.129 7.832 647 HD22 ASN 87 2HD2 ASN 87 22.144 18.677 7.449 648 H LEU 88 H LEU 88 28.064 16.688 5.565 649 HA LEU 88 HA LEU 88 28.876 14.595 7.475 650 HB2 LEU 88 1HB LEU 88 28.965 14.413 4.470 651 HB3 LEU 88 2HB LEU 88 29.335 13.132 5.623 652 HG LEU 88 HG LEU 88 26.601 14.360 5.308 653 HD11 LEU 88 1HD1 LEU 88 27.761 11.878 4.055 654 HD12 LEU 88 2HD1 LEU 88 27.158 13.311 3.223 655 HD13 LEU 88 3HD1 LEU 88 26.041 12.266 4.102 656 HD21 LEU 88 1HD2 LEU 88 26.648 11.686 6.299 657 HD22 LEU 88 2HD2 LEU 88 26.055 13.150 7.084 658 HD23 LEU 88 3HD2 LEU 88 27.745 12.675 7.263 659 H ASP 89 H ASP 89 31.108 13.896 7.330 660 HA ASP 89 HA ASP 89 32.890 16.131 7.021 661 HB2 ASP 89 1HB ASP 89 33.181 13.301 7.971 662 HB3 ASP 89 2HB ASP 89 34.615 14.257 7.612 663 HA PRO 90 HA PRO 90 33.808 15.222 2.760 664 HB2 PRO 90 1HB PRO 90 35.665 17.179 2.453 665 HB3 PRO 90 2HB PRO 90 33.927 17.497 2.464 666 HG2 PRO 90 1HG PRO 90 35.924 17.813 4.671 667 HG3 PRO 90 2HG PRO 90 34.606 18.898 4.191 668 HD2 PRO 90 1HD PRO 90 34.406 17.207 6.296 669 HD3 PRO 90 2HD PRO 90 33.011 17.654 5.294 670 H SER 91 H SER 91 35.844 14.859 1.473 671 HA SER 91 HA SER 91 37.663 13.526 1.129 672 HB2 SER 91 1HB SER 91 39.585 14.042 2.807 673 HB3 SER 91 2HB SER 91 39.010 15.332 1.751 674 HG SER 91 HG SER 91 38.319 14.902 4.469 675 H SER 92 H SER 92 35.812 11.976 2.131 676 HA SER 92 HA SER 92 37.291 10.079 3.727 677 HB2 SER 92 1HB SER 92 34.817 11.441 4.789 678 HB3 SER 92 2HB SER 92 35.352 9.868 5.379 679 HG SER 92 HG SER 92 37.475 11.370 5.434 680 H HIS 93 H HIS 93 36.473 7.978 3.599 681 HA HIS 93 HA HIS 93 34.609 7.569 1.393 682 HB2 HIS 93 1HB HIS 93 36.434 6.198 1.038 683 HB3 HIS 93 2HB HIS 93 36.674 5.894 2.756 684 HD1 HIS 93 1HD HIS 93 36.398 3.463 3.094 685 HD2 HIS 93 2HD HIS 93 33.548 4.991 0.486 686 HE1 HIS 93 1HE HIS 93 34.885 1.531 2.545 687 HE2 HIS 93 2HE HIS 93 33.219 2.458 0.900 688 H TYR 94 H TYR 94 32.528 7.268 1.792 689 HA TYR 94 HA TYR 94 31.735 6.157 4.399 690 HB2 TYR 94 1HB TYR 94 30.456 8.127 2.544 691 HB3 TYR 94 2HB TYR 94 29.435 7.161 3.605 692 HD1 TYR 94 2HD TYR 94 32.378 9.445 3.665 693 HD2 TYR 94 1HD TYR 94 29.056 7.854 5.795 694 HE1 TYR 94 2HE TYR 94 32.810 11.021 5.504 695 HE2 TYR 94 1HE TYR 94 29.478 9.426 7.639 696 HH TYR 94 HH TYR 94 30.881 11.991 7.585 697 H VAL 95 H VAL 95 30.073 4.594 4.494 698 HA VAL 95 HA VAL 95 29.769 3.052 2.003 699 HB VAL 95 HB VAL 95 29.559 2.073 4.854 700 HG11 VAL 95 1HG1 VAL 95 29.161 -0.063 4.036 701 HG12 VAL 95 2HG1 VAL 95 28.186 0.952 2.971 702 HG13 VAL 95 3HG1 VAL 95 29.746 0.337 2.422 703 HG21 VAL 95 1HG2 VAL 95 31.857 2.745 3.915 704 HG22 VAL 95 2HG2 VAL 95 31.690 1.147 4.643 705 HG23 VAL 95 3HG2 VAL 95 31.695 1.320 2.888 706 H ILE 96 H ILE 96 27.870 3.532 1.093 707 HA ILE 96 HA ILE 96 25.532 4.010 2.783 708 HB ILE 96 HB ILE 96 25.913 4.372 -0.191 709 HG12 ILE 96 1HG1 ILE 96 25.563 6.815 0.504 710 HG13 ILE 96 2HG1 ILE 96 25.854 6.269 2.152 711 HG21 ILE 96 1HG2 ILE 96 23.641 5.756 0.773 712 HG22 ILE 96 2HG2 ILE 96 23.707 4.437 -0.395 713 HG23 ILE 96 3HG2 ILE 96 23.523 4.084 1.323 714 HD11 ILE 96 1HD1 ILE 96 27.862 5.456 0.164 715 HD12 ILE 96 2HD1 ILE 96 27.770 7.182 0.516 716 HD13 ILE 96 3HD1 ILE 96 28.062 6.030 1.819 717 H THR 97 H THR 97 23.791 2.690 2.861 718 HA THR 97 HA THR 97 23.704 0.377 1.052 719 HB THR 97 HB THR 97 23.050 -1.087 2.939 720 HG1 THR 97 1HG THR 97 23.366 1.314 4.331 721 HG21 THR 97 1HG2 THR 97 25.193 -1.687 3.269 722 HG22 THR 97 2HG2 THR 97 25.634 -0.107 3.916 723 HG23 THR 97 3HG2 THR 97 25.570 -0.359 2.172 724 H LEU 98 H LEU 98 21.672 -0.333 0.501 725 HA LEU 98 HA LEU 98 19.378 1.032 1.724 726 HB2 LEU 98 1HB LEU 98 19.685 2.296 -0.224 727 HB3 LEU 98 2HB LEU 98 20.088 0.875 -1.185 728 HG LEU 98 HG LEU 98 17.565 0.253 -0.585 729 HD11 LEU 98 1HD1 LEU 98 17.808 3.182 -0.154 730 HD12 LEU 98 2HD1 LEU 98 16.762 2.003 0.637 731 HD13 LEU 98 3HD1 LEU 98 16.377 2.575 -0.986 732 HD21 LEU 98 1HD2 LEU 98 16.936 1.304 -2.753 733 HD22 LEU 98 2HD2 LEU 98 18.412 0.342 -2.825 734 HD23 LEU 98 3HD2 LEU 98 18.508 2.102 -2.771 735 H LYS 99 H LYS 99 17.481 -0.145 1.802 736 HA LYS 99 HA LYS 99 17.390 -2.776 0.558 737 HB2 LYS 99 1HB LYS 99 16.850 -3.906 2.670 738 HB3 LYS 99 2HB LYS 99 18.466 -3.214 2.705 739 HG2 LYS 99 1HG LYS 99 17.760 -1.423 4.097 740 HG3 LYS 99 2HG LYS 99 16.060 -1.852 3.888 741 HD2 LYS 99 1HD LYS 99 16.591 -2.708 5.993 742 HD3 LYS 99 2HD LYS 99 16.719 -4.111 4.930 743 HE2 LYS 99 1HE LYS 99 19.094 -3.967 4.897 744 HE3 LYS 99 2HE LYS 99 19.072 -2.393 5.689 745 HZ1 LYS 99 1HZ LYS 99 17.771 -4.509 7.166 746 HZ2 LYS 99 2HZ LYS 99 18.848 -3.320 7.700 747 HZ3 LYS 99 3HZ LYS 99 19.436 -4.723 6.960 748 H ALA 100 H ALA 100 15.398 -3.246 -0.136 749 HA ALA 100 HA ALA 100 13.270 -1.370 0.295 750 HB1 ALA 100 1HB ALA 100 13.863 -3.507 -1.556 751 HB2 ALA 100 2HB ALA 100 12.190 -3.580 -1.001 752 HB3 ALA 100 3HB ALA 100 12.807 -2.107 -1.750 753 H PHE 101 H PHE 101 11.752 -1.440 1.813 754 HA PHE 101 HA PHE 101 11.179 -4.015 3.118 755 HB2 PHE 101 1HB PHE 101 11.191 -3.057 5.257 756 HB3 PHE 101 2HB PHE 101 12.589 -2.329 4.472 757 HD1 PHE 101 1HD PHE 101 9.026 -1.731 5.306 758 HD2 PHE 101 2HD PHE 101 12.792 -0.013 4.314 759 HE1 PHE 101 1HE PHE 101 8.134 0.507 5.808 760 HE2 PHE 101 2HE PHE 101 11.906 2.227 4.814 761 HZ PHE 101 HZ PHE 101 9.575 2.489 5.563 762 H ASN 102 H ASN 102 9.055 -4.409 3.683 763 HA ASN 102 HA ASN 102 7.073 -2.352 3.012 764 HB2 ASN 102 1HB ASN 102 5.715 -3.949 1.782 765 HB3 ASN 102 2HB ASN 102 7.320 -3.865 1.062 766 HD21 ASN 102 1HD2 ASN 102 5.537 -5.985 0.687 767 HD22 ASN 102 2HD2 ASN 102 6.221 -7.404 1.395 768 H ASN 103 H ASN 103 4.768 -3.557 3.530 769 HA ASN 103 HA ASN 103 4.482 -3.543 6.255 770 HB2 ASN 103 1HB ASN 103 2.654 -3.523 4.487 771 HB3 ASN 103 2HB ASN 103 2.792 -5.279 4.453 772 HD21 ASN 103 1HD2 ASN 103 2.565 -2.694 6.879 773 HD22 ASN 103 2HD2 ASN 103 1.383 -3.488 7.859 774 H VAL 104 H VAL 104 5.109 -6.335 4.171 775 HA VAL 104 HA VAL 104 4.981 -8.276 6.238 776 HB VAL 104 HB VAL 104 6.479 -8.467 3.621 777 HG11 VAL 104 1HG1 VAL 104 5.607 -10.957 4.146 778 HG12 VAL 104 2HG1 VAL 104 7.189 -10.353 4.643 779 HG13 VAL 104 3HG1 VAL 104 5.849 -10.365 5.790 780 HG21 VAL 104 1HG2 VAL 104 3.605 -9.089 4.286 781 HG22 VAL 104 2HG2 VAL 104 4.199 -7.875 3.153 782 HG23 VAL 104 3HG2 VAL 104 4.414 -9.590 2.801 783 H GLY 105 H GLY 105 7.727 -6.682 4.617 784 HA2 GLY 105 1HA GLY 105 9.315 -6.252 6.798 785 HA3 GLY 105 2HA GLY 105 9.659 -7.915 6.348 786 H GLU 106 H GLU 106 11.853 -6.997 6.062 787 HA GLU 106 HA GLU 106 12.129 -5.748 3.406 788 HB2 GLU 106 1HB GLU 106 14.365 -4.935 4.279 789 HB3 GLU 106 2HB GLU 106 12.942 -4.182 4.986 790 HG2 GLU 106 1HG GLU 106 14.429 -6.460 6.264 791 HG3 GLU 106 2HG GLU 106 14.755 -4.761 6.601 792 H GLY 107 H GLY 107 14.256 -6.263 2.334 793 HA2 GLY 107 1HA GLY 107 14.808 -9.136 2.693 794 HA3 GLY 107 2HA GLY 107 14.991 -8.255 1.183 795 H ILE 108 H ILE 108 17.082 -8.339 0.672 796 HA ILE 108 HA ILE 108 19.075 -7.936 2.790 797 HB ILE 108 HB ILE 108 20.607 -8.581 0.701 798 HG12 ILE 108 1HG1 ILE 108 18.418 -8.722 -0.680 799 HG13 ILE 108 2HG1 ILE 108 19.606 -10.009 -0.857 800 HG21 ILE 108 1HG2 ILE 108 20.400 -9.715 2.916 801 HG22 ILE 108 2HG2 ILE 108 19.075 -10.665 2.245 802 HG23 ILE 108 3HG2 ILE 108 20.696 -10.808 1.564 803 HD11 ILE 108 1HD1 ILE 108 17.063 -10.542 -0.561 804 HD12 ILE 108 2HD1 ILE 108 18.294 -11.548 0.203 805 HD13 ILE 108 3HD1 ILE 108 17.437 -10.331 1.149 806 HA PRO 109 HA PRO 109 19.720 -3.816 1.282 807 HB2 PRO 109 1HB PRO 109 21.944 -3.286 2.747 808 HB3 PRO 109 2HB PRO 109 20.317 -3.296 3.439 809 HG2 PRO 109 1HG PRO 109 22.419 -5.426 3.510 810 HG3 PRO 109 2HG PRO 109 21.350 -4.865 4.809 811 HD2 PRO 109 1HD PRO 109 20.870 -7.129 3.404 812 HD3 PRO 109 2HD PRO 109 19.567 -6.113 4.052 813 H LEU 110 H LEU 110 21.510 -2.547 0.294 814 HA LEU 110 HA LEU 110 23.248 -4.313 -1.295 815 HB2 LEU 110 1HB LEU 110 21.912 -1.700 -1.879 816 HB3 LEU 110 2HB LEU 110 23.348 -2.185 -2.780 817 HG LEU 110 HG LEU 110 20.882 -3.902 -2.628 818 HD11 LEU 110 1HD1 LEU 110 20.189 -2.980 -4.751 819 HD12 LEU 110 2HD1 LEU 110 21.565 -1.877 -4.754 820 HD13 LEU 110 3HD1 LEU 110 20.291 -1.695 -3.548 821 HD21 LEU 110 1HD2 LEU 110 23.491 -4.031 -3.947 822 HD22 LEU 110 2HD2 LEU 110 22.124 -4.335 -5.019 823 HD23 LEU 110 3HD2 LEU 110 22.343 -5.316 -3.569 824 H TYR 111 H TYR 111 25.383 -3.555 -1.827 825 HA TYR 111 HA TYR 111 26.487 -1.771 0.241 826 HB2 TYR 111 1HB TYR 111 27.530 -4.274 -1.023 827 HB3 TYR 111 2HB TYR 111 28.674 -3.066 -0.446 828 HD1 TYR 111 2HD TYR 111 25.554 -4.725 0.792 829 HD2 TYR 111 1HD TYR 111 29.505 -3.413 1.669 830 HE1 TYR 111 2HE TYR 111 25.338 -5.620 3.073 831 HE2 TYR 111 1HE TYR 111 29.301 -4.305 3.952 832 HH TYR 111 HH TYR 111 27.211 -6.476 4.898 833 H GLU 112 H GLU 112 27.444 0.046 -0.398 834 HA GLU 112 HA GLU 112 28.479 0.237 -3.135 835 HB2 GLU 112 1HB GLU 112 26.360 1.923 -1.882 836 HB3 GLU 112 2HB GLU 112 27.504 2.695 -2.971 837 HG2 GLU 112 1HG GLU 112 25.507 0.548 -3.562 838 HG3 GLU 112 2HG GLU 112 25.703 2.124 -4.327 839 H SER 113 H SER 113 29.543 2.586 -3.315 840 HA SER 113 HA SER 113 30.962 3.242 -0.844 841 HB2 SER 113 1HB SER 113 33.136 3.263 -2.133 842 HB3 SER 113 2HB SER 113 32.462 1.660 -1.839 843 HG SER 113 HG SER 113 31.534 2.715 -4.154 844 H ALA 114 H ALA 114 31.752 5.344 -0.749 845 HA ALA 114 HA ALA 114 31.586 7.086 -3.046 846 HB1 ALA 114 1HB ALA 114 29.235 6.847 -1.938 847 HB2 ALA 114 2HB ALA 114 29.907 7.946 -0.733 848 HB3 ALA 114 3HB ALA 114 29.828 8.435 -2.426 849 H VAL 115 H VAL 115 33.319 8.338 -2.915 850 HA VAL 115 HA VAL 115 34.492 8.888 -0.285 851 HB VAL 115 HB VAL 115 35.669 9.227 -3.048 852 HG11 VAL 115 1HG1 VAL 115 36.469 10.830 -1.259 853 HG12 VAL 115 2HG1 VAL 115 37.121 9.421 -0.420 854 HG13 VAL 115 3HG1 VAL 115 37.710 9.842 -2.029 855 HG21 VAL 115 1HG2 VAL 115 37.203 7.394 -1.747 856 HG22 VAL 115 2HG2 VAL 115 35.598 7.011 -1.126 857 HG23 VAL 115 3HG2 VAL 115 35.897 6.999 -2.864 858 H THR 116 H THR 116 33.418 10.628 0.521 859 HA THR 116 HA THR 116 32.307 12.774 -0.727 860 HB THR 116 HB THR 116 32.960 14.126 1.341 861 HG1 THR 116 1HG THR 116 33.966 11.586 2.161 862 HG21 THR 116 1HG2 THR 116 31.184 11.889 1.029 863 HG22 THR 116 2HG2 THR 116 30.959 13.368 1.963 864 HG23 THR 116 3HG2 THR 116 31.755 11.976 2.695 865 H ARG 117 H ARG 117 33.019 14.304 -2.048 866 HA ARG 117 HA ARG 117 35.443 14.622 -3.137 867 HB2 ARG 117 1HB ARG 117 33.393 16.706 -2.439 868 HB3 ARG 117 2HB ARG 117 34.877 17.145 -3.274 869 HG2 ARG 117 1HG ARG 117 33.300 14.901 -4.391 870 HG3 ARG 117 2HG ARG 117 32.643 16.530 -4.561 871 HD2 ARG 117 1HD ARG 117 35.407 15.669 -5.407 872 HD3 ARG 117 2HD ARG 117 34.026 15.850 -6.488 873 HE ARG 117 HE ARG 117 34.635 18.213 -4.965 874 HH11 ARG 117 2HH1 ARG 117 35.312 16.413 -7.867 875 HH12 ARG 117 1HH1 ARG 117 35.864 17.796 -8.752 876 HH21 ARG 117 2HH2 ARG 117 35.359 20.042 -6.120 877 HH22 ARG 117 1HH2 ARG 117 35.891 19.860 -7.757 878 HA PRO 118 HA PRO 118 38.326 15.886 -0.062 879 HB2 PRO 118 1HB PRO 118 40.178 17.067 -1.658 880 HB3 PRO 118 2HB PRO 118 39.961 15.315 -1.573 881 HG2 PRO 118 1HG PRO 118 38.938 17.254 -3.611 882 HG3 PRO 118 2HG PRO 118 39.656 15.651 -3.854 883 HD2 PRO 118 1HD PRO 118 36.983 16.076 -3.930 884 HD3 PRO 118 2HD PRO 118 37.692 14.556 -3.348 885 H HIS 119 H HIS 119 37.333 17.461 1.162 886 HA HIS 119 HA HIS 119 37.106 20.168 0.119 887 HB2 HIS 119 1HB HIS 119 35.260 19.194 1.451 888 HB3 HIS 119 2HB HIS 119 36.344 19.069 2.834 889 HD1 HIS 119 1HD HIS 119 35.624 21.976 0.477 890 HD2 HIS 119 2HD HIS 119 35.622 21.042 4.526 891 HE1 HIS 119 1HE HIS 119 35.028 24.113 1.660 892 HE2 HIS 119 2HE HIS 119 35.117 23.545 4.112 893 H THR 120 H THR 120 39.732 19.397 0.247 894 HA THR 120 HA THR 120 40.749 21.187 2.334 895 HB THR 120 HB THR 120 41.912 18.459 1.737 896 HG1 THR 120 1HG THR 120 40.241 19.469 3.715 897 HG21 THR 120 1HG2 THR 120 43.614 18.953 3.339 898 HG22 THR 120 2HG2 THR 120 42.844 20.479 3.774 899 HG23 THR 120 3HG2 THR 120 43.582 20.285 2.185 900 H SER 121 H SER 121 41.649 22.792 1.219 901 HA SER 121 HA SER 121 43.724 22.178 -0.718 902 HB2 SER 121 1HB SER 121 41.295 23.836 -1.432 903 HB3 SER 121 2HB SER 121 42.764 23.752 -2.404 904 HG SER 121 HG SER 121 40.699 21.990 -2.227 905 H GLY 122 H GLY 122 45.405 23.485 -0.405 906 HA2 GLY 122 1HA GLY 122 45.338 25.542 1.546 907 HA3 GLY 122 2HA GLY 122 46.683 25.180 0.475 908 HA PRO 123 HA PRO 123 44.437 29.220 -0.654 909 HB2 PRO 123 1HB PRO 123 46.288 30.970 0.284 910 HB3 PRO 123 2HB PRO 123 44.931 30.393 1.258 911 HG2 PRO 123 1HG PRO 123 47.780 29.472 1.244 912 HG3 PRO 123 2HG PRO 123 46.706 29.767 2.624 913 HD2 PRO 123 1HD PRO 123 47.202 27.282 1.669 914 HD3 PRO 123 2HD PRO 123 45.646 27.734 2.395 915 H SER 124 H SER 124 45.589 31.105 -1.897 916 HA SER 124 HA SER 124 48.027 30.373 -3.248 917 HB2 SER 124 1HB SER 124 45.385 30.345 -4.717 918 HB3 SER 124 2HB SER 124 46.949 30.434 -5.526 919 HG SER 124 HG SER 124 45.704 28.298 -4.319 920 H SER 125 H SER 125 49.104 32.155 -3.813 921 HA SER 125 HA SER 125 47.791 34.726 -3.488 922 HB2 SER 125 1HB SER 125 50.113 34.099 -2.561 923 HB3 SER 125 2HB SER 125 50.687 34.316 -4.214 924 HG SER 125 HG SER 125 49.514 36.451 -3.988 925 H GLY 126 H GLY 126 46.683 35.440 -5.199 926 HA2 GLY 126 1HA GLY 126 47.104 34.698 -7.867 927 HA3 GLY 126 2HA GLY 126 46.203 36.111 -7.339
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