NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
523706 | 2llg | 18047 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 -20.989 -12.194 20.620 2 HA MET 1 HA MET 1 -19.849 -11.550 18.659 3 HB2 MET 1 1HB MET 1 -19.784 -13.610 17.210 4 HB3 MET 1 2HB MET 1 -19.455 -13.885 18.916 5 HG2 MET 1 1HG MET 1 -21.092 -15.360 19.032 6 HG3 MET 1 2HG MET 1 -22.252 -14.165 18.458 7 HE1 MET 1 3HE MET 1 -20.390 -17.602 17.253 8 HE2 MET 1 1HE MET 1 -21.784 -17.297 18.289 9 HE3 MET 1 2HE MET 1 -22.022 -17.875 16.640 10 H ASP 2 H ASP 2 -20.626 -9.887 17.480 11 HA ASP 2 HA ASP 2 -22.979 -10.300 15.795 12 HB2 ASP 2 1HB ASP 2 -22.187 -8.150 17.305 13 HB3 ASP 2 2HB ASP 2 -21.663 -7.677 15.691 14 H GLU 3 H GLU 3 -20.309 -11.497 15.255 15 HA GLU 3 HA GLU 3 -18.866 -11.838 13.523 16 HB2 GLU 3 1HB GLU 3 -21.126 -12.302 12.482 17 HB3 GLU 3 2HB GLU 3 -21.064 -10.679 11.811 18 HG2 GLU 3 1HG GLU 3 -19.461 -11.211 10.291 19 HG3 GLU 3 2HG GLU 3 -18.751 -12.462 11.310 20 H VAL 4 H VAL 4 -17.946 -9.758 14.725 21 HA VAL 4 HA VAL 4 -17.934 -7.330 13.227 22 HB VAL 4 HB VAL 4 -15.911 -8.194 15.294 23 HG11 VAL 4 1HG1 VAL 4 -15.044 -6.272 14.390 24 HG12 VAL 4 2HG1 VAL 4 -16.632 -5.613 13.989 25 HG13 VAL 4 3HG1 VAL 4 -16.066 -5.599 15.660 26 HG21 VAL 4 3HG2 VAL 4 -18.105 -8.455 16.257 27 HG22 VAL 4 1HG2 VAL 4 -17.356 -7.001 16.919 28 HG23 VAL 4 2HG2 VAL 4 -18.594 -6.865 15.669 29 H LEU 5 H LEU 5 -16.230 -6.422 12.024 30 HA LEU 5 HA LEU 5 -14.765 -8.340 10.453 31 HB2 LEU 5 1HB LEU 5 -14.485 -5.354 10.315 32 HB3 LEU 5 2HB LEU 5 -14.190 -6.539 9.045 33 HG LEU 5 HG LEU 5 -16.859 -6.895 9.588 34 HD11 LEU 5 1HD1 LEU 5 -16.498 -3.927 9.460 35 HD12 LEU 5 2HD1 LEU 5 -16.578 -4.762 11.011 36 HD13 LEU 5 3HD1 LEU 5 -17.932 -4.862 9.886 37 HD21 LEU 5 3HD2 LEU 5 -16.220 -6.898 7.373 38 HD22 LEU 5 1HD2 LEU 5 -15.317 -5.390 7.520 39 HD23 LEU 5 2HD2 LEU 5 -17.080 -5.362 7.491 40 H ALA 6 H ALA 6 -12.696 -8.919 10.663 41 HA ALA 6 HA ALA 6 -10.557 -9.054 11.431 42 HB1 ALA 6 1HB ALA 6 -10.749 -6.139 12.147 43 HB2 ALA 6 2HB ALA 6 -9.312 -7.069 11.720 44 HB3 ALA 6 3HB ALA 6 -10.524 -6.704 10.491 45 H THR 7 H THR 7 -12.983 -9.226 13.245 46 HA THR 7 HA THR 7 -13.466 -9.527 15.454 47 HB THR 7 HB THR 7 -10.659 -9.893 16.274 48 HG1 THR 7 1HG THR 7 -10.635 -11.927 15.015 49 HG21 THR 7 3HG2 THR 7 -11.731 -12.183 16.859 50 HG22 THR 7 1HG2 THR 7 -13.254 -11.377 16.485 51 HG23 THR 7 2HG2 THR 7 -12.219 -10.753 17.769 52 H SER 8 H SER 8 -13.107 -6.841 14.728 53 HA SER 8 HA SER 8 -12.642 -4.755 15.545 54 HB2 SER 8 1HB SER 8 -13.045 -4.637 18.104 55 HB3 SER 8 2HB SER 8 -14.380 -5.144 17.069 56 HG SER 8 HG SER 8 -13.022 -6.544 18.988 57 H ILE 9 H ILE 9 -10.408 -4.818 14.923 58 HA ILE 9 HA ILE 9 -8.627 -4.712 17.247 59 HB ILE 9 HB ILE 9 -7.950 -6.153 14.679 60 HG12 ILE 9 1HG1 ILE 9 -9.418 -7.454 16.160 61 HG13 ILE 9 2HG1 ILE 9 -7.804 -8.153 16.092 62 HG21 ILE 9 1HG2 ILE 9 -6.286 -4.881 16.613 63 HG22 ILE 9 2HG2 ILE 9 -6.043 -6.625 16.708 64 HG23 ILE 9 3HG2 ILE 9 -5.819 -5.785 15.173 65 HD11 ILE 9 3HD1 ILE 9 -7.648 -8.045 18.289 66 HD12 ILE 9 1HD1 ILE 9 -7.908 -6.302 18.249 67 HD13 ILE 9 2HD1 ILE 9 -9.286 -7.397 18.360 68 H GLY 10 H GLY 10 -8.152 -4.469 13.723 69 HA2 GLY 10 1HA GLY 10 -6.731 -1.957 14.118 70 HA3 GLY 10 2HA GLY 10 -6.834 -2.873 12.622 71 H THR 11 H THR 11 -7.118 -0.189 12.495 72 HA THR 11 HA THR 11 -9.909 0.066 11.671 73 HB THR 11 HB THR 11 -9.210 2.595 12.732 74 HG1 THR 11 1HG THR 11 -8.412 2.191 14.673 75 HG21 THR 11 3HG2 THR 11 -11.433 1.135 12.523 76 HG22 THR 11 1HG2 THR 11 -11.287 2.472 13.663 77 HG23 THR 11 2HG2 THR 11 -11.061 0.813 14.217 78 H TYR 12 H TYR 12 -10.244 2.076 10.347 79 HA TYR 12 HA TYR 12 -7.800 2.979 9.002 80 HB2 TYR 12 1HB TYR 12 -8.590 1.180 7.606 81 HB3 TYR 12 2HB TYR 12 -10.232 1.814 7.636 82 HD1 TYR 12 2HD TYR 12 -7.009 3.594 7.061 83 HD2 TYR 12 1HD TYR 12 -10.727 2.334 5.422 84 HE1 TYR 12 2HE TYR 12 -6.542 4.887 5.021 85 HE2 TYR 12 1HE TYR 12 -10.270 3.622 3.378 86 HH TYR 12 HH TYR 12 -8.202 4.482 2.168 87 H GLU 13 H GLU 13 -7.869 5.076 9.573 88 HA GLU 13 HA GLU 13 -9.691 6.825 8.331 89 HB2 GLU 13 1HB GLU 13 -10.896 7.695 10.257 90 HB3 GLU 13 2HB GLU 13 -11.231 5.981 10.056 91 HG2 GLU 13 1HG GLU 13 -9.683 5.443 11.841 92 HG3 GLU 13 2HG GLU 13 -9.268 7.147 12.018 93 H ASN 14 H ASN 14 -9.445 9.125 9.261 94 HA ASN 14 HA ASN 14 -8.041 10.881 9.611 95 HB2 ASN 14 1HB ASN 14 -6.565 9.143 11.580 96 HB3 ASN 14 2HB ASN 14 -6.820 10.885 11.634 97 HD21 ASN 14 1HD2 ASN 14 -7.425 8.732 13.570 98 HD22 ASN 14 2HD2 ASN 14 -9.106 8.903 13.929 99 H ARG 15 H ARG 15 -7.329 8.931 7.562 100 HA ARG 15 HA ARG 15 -5.633 8.438 6.128 101 HB2 ARG 15 1HB ARG 15 -4.746 11.015 7.369 102 HB3 ARG 15 2HB ARG 15 -3.666 10.167 6.270 103 HG2 ARG 15 1HG ARG 15 -6.481 10.961 5.569 104 HG3 ARG 15 2HG ARG 15 -5.058 11.941 5.211 105 HD2 ARG 15 1HD ARG 15 -5.014 10.818 3.273 106 HD3 ARG 15 2HD ARG 15 -4.326 9.504 4.227 107 HE ARG 15 HE ARG 15 -7.122 9.338 4.346 108 HH11 ARG 15 1HH1 ARG 15 -4.517 8.943 2.070 109 HH12 ARG 15 2HH1 ARG 15 -5.362 7.777 1.106 110 HH21 ARG 15 1HH2 ARG 15 -8.244 7.804 3.085 111 HH22 ARG 15 2HH2 ARG 15 -7.482 7.130 1.684 112 H THR 16 H THR 16 -5.598 6.825 8.288 113 HA THR 16 HA THR 16 -2.831 6.071 8.435 114 HB THR 16 HB THR 16 -4.228 6.931 10.976 115 HG1 THR 16 1HG THR 16 -3.197 8.727 10.577 116 HG21 THR 16 3HG2 THR 16 -2.170 6.246 12.116 117 HG22 THR 16 1HG2 THR 16 -1.526 5.636 10.593 118 HG23 THR 16 2HG2 THR 16 -2.943 4.876 11.318 119 H LEU 17 H LEU 17 -2.553 3.930 9.002 120 HA LEU 17 HA LEU 17 -5.030 2.420 9.523 121 HB2 LEU 17 1HB LEU 17 -3.563 2.229 7.291 122 HB3 LEU 17 2HB LEU 17 -2.709 1.058 8.293 123 HG LEU 17 HG LEU 17 -4.325 -0.083 6.924 124 HD11 LEU 17 1HD1 LEU 17 -5.334 -1.385 8.563 125 HD12 LEU 17 2HD1 LEU 17 -5.574 -0.014 9.645 126 HD13 LEU 17 3HD1 LEU 17 -3.956 -0.673 9.403 127 HD21 LEU 17 3HD2 LEU 17 -6.330 1.813 8.138 128 HD22 LEU 17 1HD2 LEU 17 -6.750 0.378 7.203 129 HD23 LEU 17 2HD2 LEU 17 -5.861 1.697 6.441 130 H LEU 18 H LEU 18 -5.075 1.658 11.524 131 HA LEU 18 HA LEU 18 -2.563 1.070 12.904 132 HB2 LEU 18 1HB LEU 18 -4.830 2.360 13.727 133 HB3 LEU 18 2HB LEU 18 -5.061 0.745 14.393 134 HG LEU 18 HG LEU 18 -2.785 2.641 14.954 135 HD11 LEU 18 1HD1 LEU 18 -3.693 2.214 17.323 136 HD12 LEU 18 2HD1 LEU 18 -5.149 1.652 16.504 137 HD13 LEU 18 3HD1 LEU 18 -4.585 3.306 16.264 138 HD21 LEU 18 3HD2 LEU 18 -1.875 0.418 14.825 139 HD22 LEU 18 1HD2 LEU 18 -3.187 -0.220 15.817 140 HD23 LEU 18 2HD2 LEU 18 -2.005 0.884 16.522 141 H VAL 19 H VAL 19 -1.897 -0.942 13.290 142 HA VAL 19 HA VAL 19 -3.769 -3.139 13.494 143 HB VAL 19 HB VAL 19 -2.373 -4.471 11.780 144 HG11 VAL 19 1HG1 VAL 19 -4.790 -3.415 11.640 145 HG12 VAL 19 2HG1 VAL 19 -4.024 -2.419 10.400 146 HG13 VAL 19 3HG1 VAL 19 -4.035 -4.176 10.240 147 HG21 VAL 19 3HG2 VAL 19 -0.616 -2.815 11.460 148 HG22 VAL 19 1HG2 VAL 19 -1.459 -3.128 9.942 149 HG23 VAL 19 2HG2 VAL 19 -1.799 -1.656 10.853 150 HA PRO 20 HA PRO 20 -0.731 -4.757 16.217 151 HB2 PRO 20 1HB PRO 20 -1.093 -7.431 15.915 152 HB3 PRO 20 2HB PRO 20 -2.249 -6.394 16.759 153 HG2 PRO 20 1HG PRO 20 -2.333 -7.431 13.952 154 HG3 PRO 20 2HG PRO 20 -3.641 -7.322 15.144 155 HD2 PRO 20 1HD PRO 20 -3.337 -5.519 13.147 156 HD3 PRO 20 2HD PRO 20 -3.998 -5.082 14.736 157 H ASP 21 H ASP 21 -0.738 -5.968 12.913 158 HA ASP 21 HA ASP 21 1.729 -7.315 12.967 159 HB2 ASP 21 1HB ASP 21 -0.005 -6.166 10.824 160 HB3 ASP 21 2HB ASP 21 1.639 -6.640 10.408 161 H GLY 22 H GLY 22 0.897 -3.937 12.445 162 HA2 GLY 22 1HA GLY 22 3.606 -3.145 13.029 163 HA3 GLY 22 2HA GLY 22 3.144 -2.861 11.358 164 H ARG 23 H ARG 23 2.639 -0.806 11.043 165 HA ARG 23 HA ARG 23 0.527 0.484 12.373 166 HB2 ARG 23 1HB ARG 23 2.640 0.500 14.016 167 HB3 ARG 23 2HB ARG 23 3.038 1.918 13.056 168 HG2 ARG 23 1HG ARG 23 0.429 1.507 14.500 169 HG3 ARG 23 2HG ARG 23 1.791 2.444 15.118 170 HD2 ARG 23 1HD ARG 23 1.386 3.450 12.571 171 HD3 ARG 23 2HD ARG 23 -0.245 3.172 13.182 172 HE ARG 23 HE ARG 23 1.530 5.229 13.980 173 HH11 ARG 23 1HH1 ARG 23 -0.876 3.040 15.222 174 HH12 ARG 23 2HH1 ARG 23 -1.331 4.078 16.532 175 HH21 ARG 23 1HH2 ARG 23 0.939 6.604 15.701 176 HH22 ARG 23 2HH2 ARG 23 -0.299 6.105 16.804 177 H LEU 24 H LEU 24 0.154 0.675 10.070 178 HA LEU 24 HA LEU 24 1.884 2.360 8.501 179 HB2 LEU 24 1HB LEU 24 0.263 0.400 7.792 180 HB3 LEU 24 2HB LEU 24 -0.899 1.719 7.663 181 HG LEU 24 HG LEU 24 1.244 2.680 6.245 182 HD11 LEU 24 1HD1 LEU 24 0.980 -0.253 5.606 183 HD12 LEU 24 2HD1 LEU 24 2.355 0.483 6.428 184 HD13 LEU 24 3HD1 LEU 24 1.982 0.928 4.763 185 HD21 LEU 24 3HD2 LEU 24 -0.581 3.037 5.020 186 HD22 LEU 24 1HD2 LEU 24 -1.421 1.660 5.734 187 HD23 LEU 24 2HD2 LEU 24 -0.342 1.418 4.360 188 H ALA 25 H ALA 25 1.533 4.455 7.857 189 HA ALA 25 HA ALA 25 -0.874 5.845 8.712 190 HB1 ALA 25 1HB ALA 25 0.964 5.877 10.554 191 HB2 ALA 25 2HB ALA 25 1.722 7.083 9.514 192 HB3 ALA 25 3HB ALA 25 0.100 7.361 10.150 193 H LEU 26 H LEU 26 -1.466 6.585 6.760 194 HA LEU 26 HA LEU 26 0.263 7.289 4.669 195 HB2 LEU 26 1HB LEU 26 -2.569 8.177 5.197 196 HB3 LEU 26 2HB LEU 26 -1.712 8.386 3.671 197 HG LEU 26 HG LEU 26 -1.672 5.620 4.446 198 HD11 LEU 26 1HD1 LEU 26 -3.941 5.068 4.548 199 HD12 LEU 26 2HD1 LEU 26 -4.449 6.678 4.040 200 HD13 LEU 26 3HD1 LEU 26 -3.772 6.435 5.650 201 HD21 LEU 26 3HD2 LEU 26 -1.342 6.041 2.206 202 HD22 LEU 26 1HD2 LEU 26 -2.595 7.280 2.143 203 HD23 LEU 26 2HD2 LEU 26 -3.044 5.576 2.225 204 H THR 27 H THR 27 1.561 8.975 4.444 205 HA THR 27 HA THR 27 1.242 11.284 6.193 206 HB THR 27 HB THR 27 3.459 11.968 5.407 207 HG1 THR 27 1HG THR 27 4.548 10.290 4.037 208 HG21 THR 27 3HG2 THR 27 4.003 10.669 7.157 209 HG22 THR 27 1HG2 THR 27 4.510 9.493 5.946 210 HG23 THR 27 2HG2 THR 27 2.902 9.384 6.662 211 H ALA 28 H ALA 28 1.729 10.673 2.714 212 HA ALA 28 HA ALA 28 -0.234 12.461 1.845 213 HB1 ALA 28 1HB ALA 28 2.264 13.808 1.134 214 HB2 ALA 28 2HB ALA 28 0.717 14.479 1.651 215 HB3 ALA 28 3HB ALA 28 1.865 13.885 2.851 216 H LEU 29 H LEU 29 -0.693 11.013 0.261 217 HA LEU 29 HA LEU 29 1.186 9.653 -1.321 218 HB2 LEU 29 1HB LEU 29 -1.617 10.363 -2.151 219 HB3 LEU 29 2HB LEU 29 -0.646 8.997 -2.695 220 HG LEU 29 HG LEU 29 -1.384 9.210 0.191 221 HD11 LEU 29 1HD1 LEU 29 -3.393 7.741 -0.496 222 HD12 LEU 29 2HD1 LEU 29 -3.209 8.507 -2.074 223 HD13 LEU 29 3HD1 LEU 29 -3.527 9.493 -0.647 224 HD21 LEU 29 3HD2 LEU 29 -1.355 6.723 -1.450 225 HD22 LEU 29 1HD2 LEU 29 -0.944 6.961 0.249 226 HD23 LEU 29 2HD2 LEU 29 0.179 7.476 -1.010 227 H HIS 30 H HIS 30 2.177 10.114 -3.215 228 HA HIS 30 HA HIS 30 1.535 12.676 -4.512 229 HB2 HIS 30 1HB HIS 30 4.322 11.581 -4.084 230 HB3 HIS 30 2HB HIS 30 3.906 13.100 -4.873 231 HD1 HIS 30 1HD HIS 30 2.087 14.455 -2.960 232 HD2 HIS 30 2HD HIS 30 5.360 12.236 -1.685 233 HE1 HIS 30 1HE HIS 30 2.628 15.315 -0.659 234 H LYS 31 H LYS 31 1.675 12.732 -6.734 235 HA LYS 31 HA LYS 31 1.881 10.109 -8.030 236 HB2 LYS 31 1HB LYS 31 0.634 11.088 -9.869 237 HB3 LYS 31 2HB LYS 31 -0.209 11.383 -8.354 238 HG2 LYS 31 1HG LYS 31 0.185 13.633 -8.408 239 HG3 LYS 31 2HG LYS 31 1.658 13.464 -9.365 240 HD2 LYS 31 1HD LYS 31 -1.115 12.941 -10.428 241 HD3 LYS 31 2HD LYS 31 -0.269 14.482 -10.593 242 HE2 LYS 31 1HE LYS 31 1.630 12.984 -11.593 243 HE3 LYS 31 2HE LYS 31 0.313 11.845 -11.867 244 HZ1 LYS 31 3HZ LYS 31 0.959 14.236 -13.283 245 HZ2 LYS 31 1HZ LYS 31 -0.651 14.240 -12.763 246 HZ3 LYS 31 2HZ LYS 31 -0.076 12.973 -13.724 247 H GLY 32 H GLY 32 3.158 9.777 -9.862 248 HA2 GLY 32 1HA GLY 32 5.038 11.939 -10.549 249 HA3 GLY 32 2HA GLY 32 5.651 10.348 -10.124 250 H LYS 33 H LYS 33 6.640 10.161 -12.172 251 HA LYS 33 HA LYS 33 4.748 9.422 -14.295 252 HB2 LYS 33 1HB LYS 33 6.968 11.391 -14.406 253 HB3 LYS 33 2HB LYS 33 6.781 10.329 -15.796 254 HG2 LYS 33 1HG LYS 33 4.398 11.051 -15.934 255 HG3 LYS 33 2HG LYS 33 4.742 12.232 -14.667 256 HD2 LYS 33 1HD LYS 33 6.581 12.229 -16.977 257 HD3 LYS 33 2HD LYS 33 4.932 12.768 -17.299 258 HE2 LYS 33 1HE LYS 33 6.034 13.895 -14.853 259 HE3 LYS 33 2HE LYS 33 6.984 14.306 -16.280 260 HZ1 LYS 33 3HZ LYS 33 5.028 15.809 -15.616 261 HZ2 LYS 33 1HZ LYS 33 4.053 14.610 -16.304 262 HZ3 LYS 33 2HZ LYS 33 5.213 15.400 -17.247 263 H ASP 34 H ASP 34 5.408 7.747 -15.655 264 HA ASP 34 HA ASP 34 7.789 6.274 -14.733 265 HB2 ASP 34 1HB ASP 34 6.673 4.229 -15.045 266 HB3 ASP 34 2HB ASP 34 5.463 5.266 -14.294 267 H TYR 35 H TYR 35 7.583 4.313 -16.826 268 HA TYR 35 HA TYR 35 9.243 5.411 -18.752 269 HB2 TYR 35 1HB TYR 35 8.484 3.399 -20.160 270 HB3 TYR 35 2HB TYR 35 9.231 3.065 -18.602 271 HD1 TYR 35 2HD TYR 35 5.973 3.284 -20.356 272 HD2 TYR 35 1HD TYR 35 8.066 1.875 -16.930 273 HE1 TYR 35 2HE TYR 35 4.005 1.961 -19.705 274 HE2 TYR 35 1HE TYR 35 6.103 0.547 -16.270 275 HH TYR 35 HH TYR 35 4.016 -0.020 -16.754 276 H GLN 36 H GLN 36 5.746 5.277 -18.626 277 HA GLN 36 HA GLN 36 5.544 6.437 -21.304 278 HB2 GLN 36 1HB GLN 36 3.635 5.082 -19.451 279 HB3 GLN 36 2HB GLN 36 2.995 6.211 -20.638 280 HG2 GLN 36 1HG GLN 36 4.757 4.583 -22.056 281 HG3 GLN 36 2HG GLN 36 3.882 3.498 -20.977 282 HE21 GLN 36 1HE2 GLN 36 1.473 3.876 -20.934 283 HE22 GLN 36 2HE2 GLN 36 0.706 4.162 -22.456 284 H GLY 37 H GLY 37 6.490 7.823 -18.771 285 HA2 GLY 37 1HA GLY 37 6.032 9.759 -17.558 286 HA3 GLY 37 2HA GLY 37 5.873 10.382 -19.193 287 H LYS 38 H LYS 38 3.788 8.228 -17.279 288 HA LYS 38 HA LYS 38 1.782 10.237 -16.904 289 HB2 LYS 38 1HB LYS 38 1.665 8.492 -19.247 290 HB3 LYS 38 2HB LYS 38 0.218 8.400 -18.251 291 HG2 LYS 38 1HG LYS 38 -0.347 10.597 -18.626 292 HG3 LYS 38 2HG LYS 38 1.311 11.071 -18.999 293 HD2 LYS 38 1HD LYS 38 -0.385 9.291 -20.747 294 HD3 LYS 38 2HD LYS 38 -0.202 11.032 -20.979 295 HE2 LYS 38 1HE LYS 38 2.337 10.507 -20.989 296 HE3 LYS 38 2HE LYS 38 1.824 8.851 -21.309 297 HZ1 LYS 38 3HZ LYS 38 0.658 10.962 -22.957 298 HZ2 LYS 38 1HZ LYS 38 1.086 9.378 -23.371 299 HZ3 LYS 38 2HZ LYS 38 2.279 10.569 -23.238 300 HA PRO 39 HA PRO 39 0.085 6.123 -15.105 301 HB2 PRO 39 1HB PRO 39 1.267 3.798 -15.859 302 HB3 PRO 39 2HB PRO 39 -0.068 4.532 -16.755 303 HG2 PRO 39 1HG PRO 39 2.871 4.638 -17.312 304 HG3 PRO 39 2HG PRO 39 1.527 4.396 -18.442 305 HD2 PRO 39 1HD PRO 39 2.762 6.786 -18.137 306 HD3 PRO 39 2HD PRO 39 1.038 6.647 -18.538 307 H MET 40 H MET 40 1.146 7.046 -13.280 308 HA MET 40 HA MET 40 2.996 5.274 -12.018 309 HB2 MET 40 1HB MET 40 4.252 7.071 -13.602 310 HB3 MET 40 2HB MET 40 4.145 7.998 -12.111 311 HG2 MET 40 1HG MET 40 5.237 5.207 -12.173 312 HG3 MET 40 2HG MET 40 6.242 6.618 -12.492 313 HE1 MET 40 3HE MET 40 4.542 4.670 -9.105 314 HE2 MET 40 1HE MET 40 5.540 4.139 -10.459 315 HE3 MET 40 2HE MET 40 6.298 4.624 -8.942 316 H PHE 41 H PHE 41 2.914 5.453 -9.826 317 HA PHE 41 HA PHE 41 1.943 7.856 -8.553 318 HB2 PHE 41 1HB PHE 41 -0.200 6.996 -9.057 319 HB3 PHE 41 2HB PHE 41 0.283 5.346 -8.680 320 HD1 PHE 41 1HD PHE 41 0.157 8.663 -6.969 321 HD2 PHE 41 2HD PHE 41 -0.533 4.470 -6.732 322 HE1 PHE 41 1HE PHE 41 -0.709 8.938 -4.682 323 HE2 PHE 41 2HE PHE 41 -1.400 4.738 -4.446 324 HZ PHE 41 HZ PHE 41 -1.490 6.974 -3.418 325 H TYR 42 H TYR 42 2.500 7.978 -6.409 326 HA TYR 42 HA TYR 42 4.003 5.679 -5.342 327 HB2 TYR 42 1HB TYR 42 4.457 8.644 -5.007 328 HB3 TYR 42 2HB TYR 42 5.236 7.440 -3.987 329 HD1 TYR 42 2HD TYR 42 6.147 5.370 -5.664 330 HD2 TYR 42 1HD TYR 42 5.918 9.525 -6.551 331 HE1 TYR 42 2HE TYR 42 7.934 5.106 -7.333 332 HE2 TYR 42 1HE TYR 42 7.703 9.273 -8.223 333 HH TYR 42 HH TYR 42 8.566 7.178 -9.692 334 H VAL 43 H VAL 43 3.358 4.828 -3.469 335 HA VAL 43 HA VAL 43 1.117 6.083 -2.078 336 HB VAL 43 HB VAL 43 2.306 3.360 -1.554 337 HG11 VAL 43 1HG1 VAL 43 -0.510 4.247 -1.031 338 HG12 VAL 43 2HG1 VAL 43 0.376 2.892 -0.329 339 HG13 VAL 43 3HG1 VAL 43 0.776 4.546 0.137 340 HG21 VAL 43 3HG2 VAL 43 -0.140 3.114 -2.923 341 HG22 VAL 43 1HG2 VAL 43 0.831 4.273 -3.832 342 HG23 VAL 43 2HG2 VAL 43 1.468 2.664 -3.491 343 H LEU 44 H LEU 44 2.244 7.745 -0.996 344 HA LEU 44 HA LEU 44 4.474 7.228 0.699 345 HB2 LEU 44 1HB LEU 44 2.599 9.534 0.337 346 HB3 LEU 44 2HB LEU 44 3.767 9.523 1.657 347 HG LEU 44 HG LEU 44 4.588 10.817 -0.232 348 HD11 LEU 44 1HD1 LEU 44 6.201 8.297 -0.214 349 HD12 LEU 44 2HD1 LEU 44 6.072 9.299 1.231 350 HD13 LEU 44 3HD1 LEU 44 6.747 9.973 -0.252 351 HD21 LEU 44 3HD2 LEU 44 4.886 8.407 -1.933 352 HD22 LEU 44 1HD2 LEU 44 4.675 10.099 -2.386 353 HD23 LEU 44 2HD2 LEU 44 3.289 9.151 -1.846 354 H PHE 45 H PHE 45 4.096 5.701 2.234 355 HA PHE 45 HA PHE 45 2.032 6.346 4.231 356 HB2 PHE 45 1HB PHE 45 1.694 3.924 4.584 357 HB3 PHE 45 2HB PHE 45 1.276 4.418 2.947 358 HD1 PHE 45 2HD PHE 45 4.023 2.920 4.948 359 HD2 PHE 45 1HD PHE 45 2.201 3.325 1.123 360 HE1 PHE 45 2HE PHE 45 5.537 1.202 4.049 361 HE2 PHE 45 1HE PHE 45 3.712 1.607 0.218 362 HZ PHE 45 HZ PHE 45 5.383 0.544 1.681 363 H GLU 46 H GLU 46 2.482 5.471 6.392 364 HA GLU 46 HA GLU 46 5.376 5.457 6.920 365 HB2 GLU 46 1HB GLU 46 3.697 7.224 7.914 366 HB3 GLU 46 2HB GLU 46 3.345 5.939 9.061 367 HG2 GLU 46 1HG GLU 46 6.159 6.162 8.850 368 HG3 GLU 46 2HG GLU 46 5.498 7.782 9.061 369 H LEU 47 H LEU 47 5.439 3.168 6.420 370 HA LEU 47 HA LEU 47 3.994 1.324 8.093 371 HB2 LEU 47 1HB LEU 47 4.521 0.720 5.811 372 HB3 LEU 47 2HB LEU 47 6.244 0.913 6.130 373 HG LEU 47 HG LEU 47 5.220 -1.464 6.018 374 HD11 LEU 47 1HD1 LEU 47 7.497 -0.496 7.029 375 HD12 LEU 47 2HD1 LEU 47 7.062 -2.203 7.100 376 HD13 LEU 47 3HD1 LEU 47 6.793 -1.166 8.501 377 HD21 LEU 47 3HD2 LEU 47 3.366 -0.960 7.576 378 HD22 LEU 47 1HD2 LEU 47 4.548 -0.737 8.866 379 HD23 LEU 47 2HD2 LEU 47 4.362 -2.317 8.104 380 H THR 48 H THR 48 4.527 1.171 10.173 381 HA THR 48 HA THR 48 7.350 1.356 10.950 382 HB THR 48 HB THR 48 5.049 1.233 12.883 383 HG1 THR 48 1HG THR 48 5.088 3.565 12.778 384 HG21 THR 48 3HG2 THR 48 6.872 2.935 13.916 385 HG22 THR 48 1HG2 THR 48 7.925 1.888 12.965 386 HG23 THR 48 2HG2 THR 48 6.883 1.196 14.208 387 H ASN 49 H ASN 49 8.357 -0.551 10.927 388 HA ASN 49 HA ASN 49 7.064 -3.052 11.185 389 HB2 ASN 49 1HB ASN 49 9.320 -2.528 10.075 390 HB3 ASN 49 2HB ASN 49 9.997 -2.589 11.699 391 HD21 ASN 49 1HD2 ASN 49 11.271 -4.364 11.181 392 HD22 ASN 49 2HD2 ASN 49 10.605 -5.948 10.996 393 H THR 50 H THR 50 5.970 -3.435 13.031 394 HA THR 50 HA THR 50 7.073 -2.731 15.611 395 HB THR 50 HB THR 50 5.009 -3.711 16.537 396 HG1 THR 50 1HG THR 50 3.792 -4.978 15.351 397 HG21 THR 50 3HG2 THR 50 4.876 -1.407 15.945 398 HG22 THR 50 1HG2 THR 50 3.392 -2.167 15.374 399 HG23 THR 50 2HG2 THR 50 4.685 -1.792 14.235 400 H THR 51 H THR 51 7.232 -5.384 13.507 401 HA THR 51 HA THR 51 7.406 -7.502 15.386 402 HB THR 51 HB THR 51 8.201 -8.867 13.606 403 HG1 THR 51 1HG THR 51 9.545 -8.090 12.175 404 HG21 THR 51 3HG2 THR 51 6.626 -8.368 11.783 405 HG22 THR 51 1HG2 THR 51 6.365 -6.761 12.458 406 HG23 THR 51 2HG2 THR 51 5.871 -8.189 13.367 407 H GLU 52 H GLU 52 9.725 -8.847 14.819 408 HA GLU 52 HA GLU 52 11.863 -7.036 15.717 409 HB2 GLU 52 1HB GLU 52 11.275 -9.793 16.813 410 HB3 GLU 52 2HB GLU 52 12.666 -8.805 17.241 411 HG2 GLU 52 1HG GLU 52 10.938 -7.051 17.968 412 HG3 GLU 52 2HG GLU 52 9.783 -8.381 17.916 413 H LYS 53 H LYS 53 11.388 -7.913 13.068 414 HA LYS 53 HA LYS 53 13.762 -9.606 12.645 415 HB2 LYS 53 1HB LYS 53 11.379 -9.583 10.800 416 HB3 LYS 53 2HB LYS 53 12.719 -10.722 10.828 417 HG2 LYS 53 1HG LYS 53 11.597 -10.912 13.359 418 HG3 LYS 53 2HG LYS 53 10.218 -10.777 12.266 419 HD2 LYS 53 1HD LYS 53 10.690 -13.088 12.446 420 HD3 LYS 53 2HD LYS 53 11.313 -12.585 10.873 421 HE2 LYS 53 1HE LYS 53 13.418 -13.090 11.433 422 HE3 LYS 53 2HE LYS 53 13.272 -12.317 13.011 423 HZ1 LYS 53 3HZ LYS 53 12.612 -14.247 14.000 424 HZ2 LYS 53 1HZ LYS 53 13.620 -14.884 12.800 425 HZ3 LYS 53 2HZ LYS 53 11.942 -14.895 12.588 426 H THR 54 H THR 54 14.985 -9.173 10.747 427 HA THR 54 HA THR 54 14.664 -6.410 9.793 428 HB THR 54 HB THR 54 17.175 -8.003 9.401 429 HG1 THR 54 1HG THR 54 16.787 -8.165 11.616 430 HG21 THR 54 3HG2 THR 54 18.167 -5.712 9.658 431 HG22 THR 54 1HG2 THR 54 16.525 -5.073 9.715 432 HG23 THR 54 2HG2 THR 54 17.101 -5.897 8.266 433 H GLN 55 H GLN 55 13.402 -8.991 8.776 434 HA GLN 55 HA GLN 55 14.522 -9.637 6.277 435 HB2 GLN 55 1HB GLN 55 12.343 -10.648 5.772 436 HB3 GLN 55 2HB GLN 55 12.897 -11.082 7.383 437 HG2 GLN 55 1HG GLN 55 11.430 -8.897 7.955 438 HG3 GLN 55 2HG GLN 55 10.566 -9.502 6.542 439 HE21 GLN 55 1HE2 GLN 55 9.656 -9.375 9.274 440 HE22 GLN 55 2HE2 GLN 55 9.294 -10.995 9.754 441 H ASN 56 H ASN 56 13.094 -9.330 4.208 442 HA ASN 56 HA ASN 56 13.335 -6.727 3.345 443 HB2 ASN 56 1HB ASN 56 12.934 -8.848 1.966 444 HB3 ASN 56 2HB ASN 56 11.219 -8.587 2.270 445 HD21 ASN 56 1HD2 ASN 56 14.092 -6.858 1.123 446 HD22 ASN 56 2HD2 ASN 56 13.272 -5.962 -0.106 447 H ILE 57 H ILE 57 11.474 -5.339 2.505 448 HA ILE 57 HA ILE 57 9.633 -4.896 4.735 449 HB ILE 57 HB ILE 57 9.958 -3.043 2.395 450 HG12 ILE 57 1HG1 ILE 57 11.713 -3.195 4.855 451 HG13 ILE 57 2HG1 ILE 57 12.217 -3.485 3.193 452 HG21 ILE 57 1HG2 ILE 57 9.679 -1.672 4.821 453 HG22 ILE 57 2HG2 ILE 57 8.468 -1.879 3.557 454 HG23 ILE 57 3HG2 ILE 57 8.549 -3.024 4.896 455 HD11 ILE 57 3HD1 ILE 57 11.025 -0.919 3.310 456 HD12 ILE 57 1HD1 ILE 57 12.182 -1.053 4.634 457 HD13 ILE 57 2HD1 ILE 57 12.703 -1.345 2.974 458 H GLN 58 H GLN 58 9.630 -5.291 1.214 459 HA GLN 58 HA GLN 58 6.923 -4.948 0.721 460 HB2 GLN 58 1HB GLN 58 8.257 -5.107 -1.183 461 HB3 GLN 58 2HB GLN 58 9.063 -6.564 -0.617 462 HG2 GLN 58 1HG GLN 58 7.082 -7.874 -1.038 463 HG3 GLN 58 2HG GLN 58 6.188 -6.424 -1.494 464 HE21 GLN 58 1HE2 GLN 58 7.736 -5.098 -3.153 465 HE22 GLN 58 2HE2 GLN 58 8.158 -6.038 -4.539 466 H LEU 59 H LEU 59 8.557 -7.534 2.306 467 HA LEU 59 HA LEU 59 6.634 -9.575 1.912 468 HB2 LEU 59 1HB LEU 59 9.092 -9.248 3.294 469 HB3 LEU 59 2HB LEU 59 7.910 -9.890 4.433 470 HG LEU 59 HG LEU 59 9.118 -11.717 3.465 471 HD11 LEU 59 1HD1 LEU 59 6.683 -11.984 3.838 472 HD12 LEU 59 2HD1 LEU 59 7.317 -13.027 2.566 473 HD13 LEU 59 3HD1 LEU 59 6.413 -11.573 2.145 474 HD21 LEU 59 3HD2 LEU 59 8.425 -11.801 0.781 475 HD22 LEU 59 1HD2 LEU 59 10.016 -11.433 1.449 476 HD23 LEU 59 2HD2 LEU 59 8.900 -10.125 1.056 477 H MET 60 H MET 60 6.538 -6.717 3.706 478 HA MET 60 HA MET 60 4.463 -7.769 5.502 479 HB2 MET 60 1HB MET 60 5.839 -5.089 5.684 480 HB3 MET 60 2HB MET 60 4.843 -5.865 6.908 481 HG2 MET 60 1HG MET 60 6.499 -7.509 7.337 482 HG3 MET 60 2HG MET 60 7.441 -7.013 5.932 483 HE1 MET 60 3HE MET 60 6.811 -4.070 9.414 484 HE2 MET 60 1HE MET 60 5.817 -4.109 7.958 485 HE3 MET 60 2HE MET 60 5.761 -5.452 9.099 486 H ILE 61 H ILE 61 5.170 -4.955 3.437 487 HA ILE 61 HA ILE 61 2.659 -3.763 3.530 488 HB ILE 61 HB ILE 61 4.660 -3.789 1.269 489 HG12 ILE 61 1HG1 ILE 61 5.520 -2.831 3.348 490 HG13 ILE 61 2HG1 ILE 61 5.274 -1.568 2.146 491 HG21 ILE 61 1HG2 ILE 61 3.402 -1.570 0.747 492 HG22 ILE 61 2HG2 ILE 61 2.744 -3.105 0.184 493 HG23 ILE 61 3HG2 ILE 61 2.076 -2.334 1.623 494 HD11 ILE 61 3HD1 ILE 61 3.120 -1.025 3.244 495 HD12 ILE 61 1HD1 ILE 61 3.516 -2.195 4.502 496 HD13 ILE 61 2HD1 ILE 61 4.532 -0.772 4.270 497 H GLN 62 H GLN 62 3.768 -6.536 1.743 498 HA GLN 62 HA GLN 62 1.661 -6.619 -0.158 499 HB2 GLN 62 1HB GLN 62 3.676 -8.607 0.836 500 HB3 GLN 62 2HB GLN 62 2.372 -9.125 -0.224 501 HG2 GLN 62 1HG GLN 62 3.099 -7.509 -1.907 502 HG3 GLN 62 2HG GLN 62 4.411 -7.001 -0.846 503 HE21 GLN 62 1HE2 GLN 62 5.308 -9.384 0.123 504 HE22 GLN 62 2HE2 GLN 62 5.962 -10.334 -1.163 505 H SER 63 H SER 63 1.712 -7.163 3.158 506 HA SER 63 HA SER 63 -0.777 -8.734 3.002 507 HB2 SER 63 1HB SER 63 1.507 -9.590 4.194 508 HB3 SER 63 2HB SER 63 0.720 -8.783 5.551 509 HG SER 63 HG SER 63 -0.435 -10.795 3.912 510 H PHE 64 H PHE 64 0.374 -5.740 3.540 511 HA PHE 64 HA PHE 64 -1.397 -5.113 5.782 512 HB2 PHE 64 1HB PHE 64 0.910 -3.746 4.476 513 HB3 PHE 64 2HB PHE 64 -0.302 -2.746 5.272 514 HD1 PHE 64 1HD PHE 64 -1.037 -4.012 7.651 515 HD2 PHE 64 2HD PHE 64 2.777 -4.030 5.762 516 HE1 PHE 64 1HE PHE 64 0.034 -4.442 9.824 517 HE2 PHE 64 2HE PHE 64 3.854 -4.461 7.931 518 HZ PHE 64 HZ PHE 64 2.482 -4.669 9.966 519 H MET 65 H MET 65 -0.616 -3.400 2.756 520 HA MET 65 HA MET 65 -3.506 -2.989 2.355 521 HB2 MET 65 1HB MET 65 -2.450 -0.911 3.108 522 HB3 MET 65 2HB MET 65 -1.276 -1.022 1.803 523 HG2 MET 65 1HG MET 65 -3.594 -1.130 0.413 524 HG3 MET 65 2HG MET 65 -4.062 -0.109 1.770 525 HE1 MET 65 3HE MET 65 -0.189 0.628 -0.357 526 HE2 MET 65 1HE MET 65 -1.045 -0.905 -0.195 527 HE3 MET 65 2HE MET 65 -1.366 0.142 -1.577 528 H GLU 66 H GLU 66 -4.271 -3.641 0.450 529 HA GLU 66 HA GLU 66 -2.338 -4.171 -1.710 530 HB2 GLU 66 1HB GLU 66 -3.711 -6.003 -2.436 531 HB3 GLU 66 2HB GLU 66 -3.404 -6.196 -0.716 532 HG2 GLU 66 1HG GLU 66 -5.671 -4.990 -0.421 533 HG3 GLU 66 2HG GLU 66 -5.933 -5.434 -2.107 534 H VAL 67 H VAL 67 -3.042 -3.823 -3.879 535 HA VAL 67 HA VAL 67 -5.404 -2.094 -4.162 536 HB VAL 67 HB VAL 67 -2.783 -1.552 -5.555 537 HG11 VAL 67 1HG1 VAL 67 -5.021 0.398 -5.224 538 HG12 VAL 67 2HG1 VAL 67 -3.776 0.317 -6.472 539 HG13 VAL 67 3HG1 VAL 67 -5.112 -0.833 -6.483 540 HG21 VAL 67 3HG2 VAL 67 -3.277 0.561 -3.842 541 HG22 VAL 67 1HG2 VAL 67 -3.659 -0.863 -2.874 542 HG23 VAL 67 2HG2 VAL 67 -2.068 -0.703 -3.618 543 H SER 68 H SER 68 -6.646 -2.508 -5.899 544 HA SER 68 HA SER 68 -5.563 -4.030 -8.138 545 HB2 SER 68 1HB SER 68 -8.011 -5.274 -7.726 546 HB3 SER 68 2HB SER 68 -6.426 -5.964 -7.381 547 HG SER 68 HG SER 68 -7.658 -4.300 -5.484 548 H GLN 69 H GLN 69 -6.352 -3.340 -10.027 549 HA GLN 69 HA GLN 69 -8.707 -1.575 -9.961 550 HB2 GLN 69 1HB GLN 69 -6.218 -1.558 -11.637 551 HB3 GLN 69 2HB GLN 69 -7.687 -0.789 -12.222 552 HG2 GLN 69 1HG GLN 69 -7.710 0.740 -10.406 553 HG3 GLN 69 2HG GLN 69 -6.428 -0.137 -9.573 554 HE21 GLN 69 1HE2 GLN 69 -6.992 2.597 -11.136 555 HE22 GLN 69 2HE2 GLN 69 -5.454 2.882 -11.870 556 H THR 70 H THR 70 -9.554 -1.431 -12.432 557 HA THR 70 HA THR 70 -10.395 -4.168 -13.039 558 HB THR 70 HB THR 70 -11.552 -1.704 -14.315 559 HG1 THR 70 1HG THR 70 -12.249 -2.824 -11.785 560 HG21 THR 70 3HG2 THR 70 -12.301 -3.742 -15.295 561 HG22 THR 70 1HG2 THR 70 -13.607 -3.166 -14.260 562 HG23 THR 70 2HG2 THR 70 -12.565 -4.480 -13.715 563 H VAL 71 H VAL 71 -10.424 -4.964 -15.194 564 HA VAL 71 HA VAL 71 -9.305 -3.573 -17.389 565 HB VAL 71 HB VAL 71 -7.198 -3.814 -16.231 566 HG11 VAL 71 1HG1 VAL 71 -6.838 -5.519 -14.858 567 HG12 VAL 71 2HG1 VAL 71 -8.290 -6.331 -15.446 568 HG13 VAL 71 3HG1 VAL 71 -6.742 -6.599 -16.248 569 HG21 VAL 71 3HG2 VAL 71 -7.453 -5.784 -18.502 570 HG22 VAL 71 1HG2 VAL 71 -7.145 -4.053 -18.644 571 HG23 VAL 71 2HG2 VAL 71 -5.938 -5.106 -17.906 572 H HIS 72 H HIS 72 -9.931 -4.548 -19.219 573 HA HIS 72 HA HIS 72 -10.892 -6.053 -20.628 574 HB2 HIS 72 1HB HIS 72 -8.899 -7.532 -19.112 575 HB3 HIS 72 2HB HIS 72 -10.218 -8.569 -19.646 576 HD1 HIS 72 1HD HIS 72 -10.801 -8.017 -22.382 577 HD2 HIS 72 2HD HIS 72 -6.940 -7.456 -20.955 578 HE1 HIS 72 1HE HIS 72 -9.320 -8.064 -24.414 579 H GLY 73 H GLY 73 -12.188 -5.290 -18.000 580 HA2 GLY 73 1HA GLY 73 -14.356 -5.650 -17.245 581 HA3 GLY 73 2HA GLY 73 -14.448 -7.071 -18.274 582 H LYS 74 H LYS 74 -11.962 -6.428 -15.862 583 HA LYS 74 HA LYS 74 -13.152 -8.136 -13.885 584 HB2 LYS 74 1HB LYS 74 -11.634 -9.956 -13.966 585 HB3 LYS 74 2HB LYS 74 -12.201 -9.726 -15.615 586 HG2 LYS 74 1HG LYS 74 -10.126 -9.478 -16.335 587 HG3 LYS 74 2HG LYS 74 -9.852 -8.154 -15.200 588 HD2 LYS 74 1HD LYS 74 -9.579 -10.083 -13.461 589 HD3 LYS 74 2HD LYS 74 -9.277 -11.071 -14.892 590 HE2 LYS 74 1HE LYS 74 -7.821 -8.487 -14.447 591 HE3 LYS 74 2HE LYS 74 -7.270 -9.984 -13.697 592 HZ1 LYS 74 3HZ LYS 74 -6.604 -10.834 -15.667 593 HZ2 LYS 74 1HZ LYS 74 -6.458 -9.199 -16.079 594 HZ3 LYS 74 2HZ LYS 74 -7.825 -10.073 -16.557 595 H ALA 75 H ALA 75 -11.476 -8.584 -12.085 596 HA ALA 75 HA ALA 75 -10.014 -6.078 -11.640 597 HB1 ALA 75 1HB ALA 75 -11.708 -6.633 -9.978 598 HB2 ALA 75 2HB ALA 75 -10.905 -8.171 -9.659 599 HB3 ALA 75 3HB ALA 75 -10.095 -6.654 -9.265 600 H GLN 76 H GLN 76 -7.855 -6.023 -11.345 601 HA GLN 76 HA GLN 76 -6.422 -8.590 -11.198 602 HB2 GLN 76 1HB GLN 76 -4.801 -7.863 -12.762 603 HB3 GLN 76 2HB GLN 76 -6.360 -7.477 -13.478 604 HG2 GLN 76 1HG GLN 76 -6.123 -5.166 -12.904 605 HG3 GLN 76 2HG GLN 76 -4.659 -5.501 -11.980 606 HE21 GLN 76 1HE2 GLN 76 -3.434 -4.077 -13.201 607 HE22 GLN 76 2HE2 GLN 76 -2.954 -4.427 -14.823 608 H ASN 77 H ASN 77 -4.404 -8.559 -10.111 609 HA ASN 77 HA ASN 77 -4.325 -6.658 -7.941 610 HB2 ASN 77 1HB ASN 77 -2.821 -9.165 -8.619 611 HB3 ASN 77 2HB ASN 77 -2.214 -8.086 -7.366 612 HD21 ASN 77 1HD2 ASN 77 -5.491 -9.082 -8.276 613 HD22 ASN 77 2HD2 ASN 77 -5.920 -9.698 -6.720 614 H LEU 78 H LEU 78 -3.413 -4.735 -8.211 615 HA LEU 78 HA LEU 78 -1.619 -4.090 -10.290 616 HB2 LEU 78 1HB LEU 78 -2.353 -2.677 -7.739 617 HB3 LEU 78 2HB LEU 78 -1.251 -1.989 -8.929 618 HG LEU 78 HG LEU 78 -4.167 -2.642 -9.345 619 HD11 LEU 78 1HD1 LEU 78 -4.623 -0.525 -8.838 620 HD12 LEU 78 2HD1 LEU 78 -3.282 0.079 -9.811 621 HD13 LEU 78 3HD1 LEU 78 -3.001 -0.441 -8.149 622 HD21 LEU 78 3HD2 LEU 78 -2.121 -1.506 -11.248 623 HD22 LEU 78 1HD2 LEU 78 -3.858 -1.576 -11.546 624 HD23 LEU 78 2HD2 LEU 78 -2.932 -3.068 -11.381 625 H GLN 79 H GLN 79 0.435 -4.664 -10.468 626 HA GLN 79 HA GLN 79 1.957 -5.318 -8.055 627 HB2 GLN 79 1HB GLN 79 3.590 -6.315 -9.661 628 HB3 GLN 79 2HB GLN 79 1.992 -7.047 -9.718 629 HG2 GLN 79 1HG GLN 79 1.794 -6.589 -11.871 630 HG3 GLN 79 2HG GLN 79 2.142 -4.884 -11.590 631 HE21 GLN 79 1HE2 GLN 79 3.822 -4.144 -12.651 632 HE22 GLN 79 2HE2 GLN 79 5.208 -5.053 -13.139 633 H TYR 80 H TYR 80 4.414 -4.807 -8.342 634 HA TYR 80 HA TYR 80 4.808 -2.104 -8.057 635 HB2 TYR 80 1HB TYR 80 6.442 -3.822 -7.377 636 HB3 TYR 80 2HB TYR 80 6.834 -4.112 -9.068 637 HD1 TYR 80 1HD TYR 80 6.829 -1.432 -6.481 638 HD2 TYR 80 2HD TYR 80 8.533 -2.891 -10.096 639 HE1 TYR 80 1HE TYR 80 8.539 0.332 -6.379 640 HE2 TYR 80 2HE TYR 80 10.249 -1.131 -10.004 641 HH TYR 80 HH TYR 80 10.392 1.244 -8.916 642 H ALA 81 H ALA 81 4.920 -0.412 -9.380 643 HA ALA 81 HA ALA 81 4.654 -0.824 -12.235 644 HB1 ALA 81 1HB ALA 81 3.363 0.965 -11.934 645 HB2 ALA 81 2HB ALA 81 4.066 1.301 -10.352 646 HB3 ALA 81 3HB ALA 81 4.852 1.903 -11.812 647 H VAL 82 H VAL 82 6.201 -0.563 -13.729 648 HA VAL 82 HA VAL 82 8.918 -0.115 -12.842 649 HB VAL 82 HB VAL 82 7.823 -0.706 -15.596 650 HG11 VAL 82 1HG1 VAL 82 10.601 -0.286 -14.574 651 HG12 VAL 82 2HG1 VAL 82 10.309 -1.389 -15.921 652 HG13 VAL 82 3HG1 VAL 82 9.849 0.309 -16.054 653 HG21 VAL 82 3HG2 VAL 82 9.091 -2.454 -13.493 654 HG22 VAL 82 1HG2 VAL 82 7.459 -2.573 -14.152 655 HG23 VAL 82 2HG2 VAL 82 8.850 -2.950 -15.168 656 H LEU 83 H LEU 83 10.239 1.580 -13.387 657 HA LEU 83 HA LEU 83 9.182 3.719 -15.067 658 HB2 LEU 83 1HB LEU 83 9.914 5.391 -13.317 659 HB3 LEU 83 2HB LEU 83 8.432 4.496 -12.986 660 HG LEU 83 HG LEU 83 9.899 2.956 -11.560 661 HD11 LEU 83 1HD1 LEU 83 11.856 4.877 -12.479 662 HD12 LEU 83 2HD1 LEU 83 12.087 3.338 -11.649 663 HD13 LEU 83 3HD1 LEU 83 11.784 4.806 -10.718 664 HD21 LEU 83 3HD2 LEU 83 9.979 5.519 -10.184 665 HD22 LEU 83 1HD2 LEU 83 9.057 4.061 -9.814 666 HD23 LEU 83 2HD2 LEU 83 8.440 5.220 -10.992 667 H THR 84 H THR 84 10.764 5.078 -15.948 668 HA THR 84 HA THR 84 13.292 3.871 -16.377 669 HB THR 84 HB THR 84 13.860 5.984 -17.577 670 HG1 THR 84 1HG THR 84 12.367 7.630 -17.643 671 HG21 THR 84 3HG2 THR 84 11.338 5.657 -18.828 672 HG22 THR 84 1HG2 THR 84 11.824 4.085 -18.196 673 HG23 THR 84 2HG2 THR 84 12.888 4.959 -19.298 674 H ASP 85 H ASP 85 12.548 7.050 -14.930 675 HA ASP 85 HA ASP 85 14.506 6.602 -12.843 676 HB2 ASP 85 1HB ASP 85 15.469 8.987 -13.520 677 HB3 ASP 85 2HB ASP 85 16.126 7.498 -14.194 678 H SER 86 H SER 86 13.890 7.557 -11.005 679 HA SER 86 HA SER 86 12.134 9.896 -11.114 680 HB2 SER 86 1HB SER 86 11.510 7.404 -9.511 681 HB3 SER 86 2HB SER 86 10.596 8.911 -9.465 682 HG SER 86 HG SER 86 9.631 8.356 -11.246 683 HA PRO 87 HA PRO 87 14.568 11.360 -7.768 684 HB2 PRO 87 1HB PRO 87 12.765 12.905 -6.451 685 HB3 PRO 87 2HB PRO 87 13.469 13.364 -8.006 686 HG2 PRO 87 1HG PRO 87 10.807 12.123 -7.425 687 HG3 PRO 87 2HG PRO 87 11.208 13.435 -8.548 688 HD2 PRO 87 1HD PRO 87 10.824 10.883 -9.366 689 HD3 PRO 87 2HD PRO 87 11.960 11.983 -10.173 690 H PHE 88 H PHE 88 11.579 9.685 -7.104 691 HA PHE 88 HA PHE 88 12.205 9.362 -4.285 692 HB2 PHE 88 1HB PHE 88 9.876 8.643 -6.030 693 HB3 PHE 88 2HB PHE 88 10.071 7.856 -4.467 694 HD1 PHE 88 1HD PHE 88 9.659 11.131 -6.127 695 HD2 PHE 88 2HD PHE 88 9.503 8.960 -2.469 696 HE1 PHE 88 1HE PHE 88 8.594 13.059 -5.031 697 HE2 PHE 88 2HE PHE 88 8.437 10.884 -1.368 698 HZ PHE 88 HZ PHE 88 7.980 12.937 -2.649 699 H GLN 89 H GLN 89 14.225 8.299 -5.728 700 HA GLN 89 HA GLN 89 13.802 5.475 -6.158 701 HB2 GLN 89 1HB GLN 89 15.488 7.191 -7.313 702 HB3 GLN 89 2HB GLN 89 16.545 6.620 -6.029 703 HG2 GLN 89 1HG GLN 89 16.820 5.377 -8.132 704 HG3 GLN 89 2HG GLN 89 16.327 4.352 -6.784 705 HE21 GLN 89 1HE2 GLN 89 14.597 3.105 -7.027 706 HE22 GLN 89 2HE2 GLN 89 13.475 3.193 -8.338 707 H ASP 90 H ASP 90 14.817 7.525 -3.588 708 HA ASP 90 HA ASP 90 16.361 5.654 -2.120 709 HB2 ASP 90 1HB ASP 90 15.397 8.349 -1.770 710 HB3 ASP 90 2HB ASP 90 15.158 7.424 -0.290 711 H LYS 91 H LYS 91 13.011 6.784 -1.641 712 HA LYS 91 HA LYS 91 12.412 4.825 0.326 713 HB2 LYS 91 1HB LYS 91 10.451 6.340 -1.402 714 HB3 LYS 91 2HB LYS 91 10.134 5.597 0.160 715 HG2 LYS 91 1HG LYS 91 12.057 7.236 0.930 716 HG3 LYS 91 2HG LYS 91 11.522 8.137 -0.490 717 HD2 LYS 91 1HD LYS 91 9.759 8.906 0.624 718 HD3 LYS 91 2HD LYS 91 9.235 7.260 0.988 719 HE2 LYS 91 1HE LYS 91 9.569 8.588 3.023 720 HE3 LYS 91 2HE LYS 91 10.670 7.213 2.947 721 HZ1 LYS 91 3HZ LYS 91 11.950 9.363 1.733 722 HZ2 LYS 91 1HZ LYS 91 12.339 8.622 3.204 723 HZ3 LYS 91 2HZ LYS 91 11.290 9.948 3.177 724 H LEU 92 H LEU 92 12.480 4.779 -3.107 725 HA LEU 92 HA LEU 92 10.609 2.682 -3.535 726 HB2 LEU 92 1HB LEU 92 12.581 4.169 -5.113 727 HB3 LEU 92 2HB LEU 92 12.331 2.507 -5.644 728 HG LEU 92 HG LEU 92 10.115 4.528 -5.326 729 HD11 LEU 92 1HD1 LEU 92 10.155 4.595 -7.813 730 HD12 LEU 92 2HD1 LEU 92 11.685 3.720 -7.767 731 HD13 LEU 92 3HD1 LEU 92 11.566 5.328 -7.051 732 HD21 LEU 92 3HD2 LEU 92 10.273 1.679 -6.064 733 HD22 LEU 92 1HD2 LEU 92 9.245 2.684 -7.087 734 HD23 LEU 92 2HD2 LEU 92 8.947 2.599 -5.350 735 H ASP 93 H ASP 93 14.114 2.784 -3.083 736 HA ASP 93 HA ASP 93 14.654 0.083 -3.595 737 HB2 ASP 93 1HB ASP 93 16.197 2.221 -3.050 738 HB3 ASP 93 2HB ASP 93 16.242 1.424 -1.479 739 H ARG 94 H ARG 94 13.031 1.568 -0.987 740 HA ARG 94 HA ARG 94 13.590 -0.033 1.184 741 HB2 ARG 94 1HB ARG 94 10.941 1.143 0.329 742 HB3 ARG 94 2HB ARG 94 11.240 0.436 1.911 743 HG2 ARG 94 1HG ARG 94 12.656 2.827 0.751 744 HG3 ARG 94 2HG ARG 94 11.388 2.862 1.978 745 HD2 ARG 94 1HD ARG 94 12.953 2.662 3.541 746 HD3 ARG 94 2HD ARG 94 13.336 1.063 2.905 747 HE ARG 94 HE ARG 94 14.639 3.034 1.369 748 HH11 ARG 94 1HH1 ARG 94 14.750 1.532 4.508 749 HH12 ARG 94 2HH1 ARG 94 16.450 1.792 4.716 750 HH21 ARG 94 1HH2 ARG 94 16.878 3.381 1.631 751 HH22 ARG 94 2HH2 ARG 94 17.659 2.845 3.080 752 H LEU 95 H LEU 95 11.219 -0.627 -1.396 753 HA LEU 95 HA LEU 95 10.136 -2.998 -0.444 754 HB2 LEU 95 1HB LEU 95 10.681 -2.489 -3.353 755 HB3 LEU 95 2HB LEU 95 9.355 -3.400 -2.633 756 HG LEU 95 HG LEU 95 9.719 -0.409 -2.662 757 HD11 LEU 95 1HD1 LEU 95 8.509 -2.179 -4.457 758 HD12 LEU 95 2HD1 LEU 95 8.360 -0.422 -4.414 759 HD13 LEU 95 3HD1 LEU 95 7.188 -1.428 -3.562 760 HD21 LEU 95 3HD2 LEU 95 8.778 -0.642 -0.589 761 HD22 LEU 95 1HD2 LEU 95 7.986 -2.164 -0.996 762 HD23 LEU 95 2HD2 LEU 95 7.326 -0.640 -1.590 763 H ALA 96 H ALA 96 13.195 -2.400 -2.006 764 HA ALA 96 HA ALA 96 13.749 -5.286 -2.079 765 HB1 ALA 96 1HB ALA 96 15.287 -3.047 -3.390 766 HB2 ALA 96 2HB ALA 96 15.555 -4.778 -3.602 767 HB3 ALA 96 3HB ALA 96 14.064 -4.038 -4.185 768 H ASP 97 H ASP 97 13.842 -3.310 0.255 769 HA ASP 97 HA ASP 97 16.567 -4.009 1.127 770 HB2 ASP 97 1HB ASP 97 15.466 -1.405 0.825 771 HB3 ASP 97 2HB ASP 97 15.642 -1.710 2.551 772 H GLU 98 H GLU 98 16.479 -3.303 3.729 773 HA GLU 98 HA GLU 98 14.520 -5.193 4.798 774 HB2 GLU 98 1HB GLU 98 16.934 -3.949 6.128 775 HB3 GLU 98 2HB GLU 98 15.916 -5.209 6.811 776 HG2 GLU 98 1HG GLU 98 16.761 -6.834 5.436 777 HG3 GLU 98 2HG GLU 98 17.223 -5.686 4.181 778 H ILE 99 H ILE 99 14.001 -4.545 7.255 779 HA ILE 99 HA ILE 99 12.949 -1.792 7.168 780 HB ILE 99 HB ILE 99 11.324 -3.056 8.962 781 HG12 ILE 99 1HG1 ILE 99 10.554 -5.126 7.755 782 HG13 ILE 99 2HG1 ILE 99 11.995 -5.005 6.750 783 HG21 ILE 99 1HG2 ILE 99 10.042 -3.316 6.484 784 HG22 ILE 99 2HG2 ILE 99 9.948 -1.961 7.608 785 HG23 ILE 99 3HG2 ILE 99 11.150 -1.954 6.318 786 HD11 ILE 99 3HD1 ILE 99 11.744 -6.354 9.153 787 HD12 ILE 99 1HD1 ILE 99 13.241 -5.985 8.296 788 HD13 ILE 99 2HD1 ILE 99 12.656 -4.899 9.556 789 H ASN 100 H ASN 100 12.293 -1.078 9.493 790 HA ASN 100 HA ASN 100 14.550 -1.713 11.277 791 HB2 ASN 100 1HB ASN 100 12.974 0.859 11.033 792 HB3 ASN 100 2HB ASN 100 14.258 0.566 12.203 793 HD21 ASN 100 1HD2 ASN 100 16.094 -0.762 10.658 794 HD22 ASN 100 2HD2 ASN 100 16.696 0.301 9.437 795 HA PRO 101 HA PRO 101 10.872 -3.270 13.522 796 HB2 PRO 101 1HB PRO 101 12.234 -5.238 14.804 797 HB3 PRO 101 2HB PRO 101 11.593 -5.423 13.167 798 HG2 PRO 101 1HG PRO 101 14.379 -4.774 14.047 799 HG3 PRO 101 2HG PRO 101 13.838 -5.887 12.777 800 HD2 PRO 101 1HD PRO 101 14.761 -3.399 12.238 801 HD3 PRO 101 2HD PRO 101 13.513 -4.189 11.253 802 H GLY 102 H GLY 102 10.754 -1.390 14.817 803 HA2 GLY 102 1HA GLY 102 10.710 -1.098 17.285 804 HA3 GLY 102 2HA GLY 102 12.421 -1.500 17.256 805 H GLU 103 H GLU 103 11.723 0.307 14.557 806 HA GLU 103 HA GLU 103 12.431 2.817 15.931 807 HB2 GLU 103 1HB GLU 103 14.292 1.763 14.587 808 HB3 GLU 103 2HB GLU 103 13.315 2.037 13.152 809 HG2 GLU 103 1HG GLU 103 13.659 4.282 13.169 810 HG3 GLU 103 2HG GLU 103 13.827 4.356 14.923 811 H THR 104 H THR 104 11.886 4.784 14.639 812 HA THR 104 HA THR 104 9.236 4.432 13.426 813 HB THR 104 HB THR 104 9.135 5.933 15.272 814 HG1 THR 104 1HG THR 104 9.312 7.715 13.081 815 HG21 THR 104 3HG2 THR 104 10.989 6.987 15.925 816 HG22 THR 104 1HG2 THR 104 10.736 8.129 14.606 817 HG23 THR 104 2HG2 THR 104 11.759 6.713 14.363 818 H ILE 105 H ILE 105 9.381 4.222 11.278 819 HA ILE 105 HA ILE 105 10.704 6.349 9.780 820 HB ILE 105 HB ILE 105 11.870 4.877 8.298 821 HG12 ILE 105 1HG1 ILE 105 11.767 2.333 9.427 822 HG13 ILE 105 2HG1 ILE 105 10.096 2.884 9.461 823 HG21 ILE 105 1HG2 ILE 105 13.529 3.906 9.789 824 HG22 ILE 105 2HG2 ILE 105 13.020 5.490 10.372 825 HG23 ILE 105 3HG2 ILE 105 12.404 4.028 11.142 826 HD11 ILE 105 3HD1 ILE 105 11.022 3.565 6.930 827 HD12 ILE 105 1HD1 ILE 105 11.681 1.961 7.248 828 HD13 ILE 105 2HD1 ILE 105 9.942 2.237 7.353 829 H GLN 106 H GLN 106 10.353 5.514 7.245 830 HA GLN 106 HA GLN 106 7.676 4.481 6.876 831 HB2 GLN 106 1HB GLN 106 6.786 6.424 5.762 832 HB3 GLN 106 2HB GLN 106 7.327 6.893 7.369 833 HG2 GLN 106 1HG GLN 106 9.425 7.743 6.353 834 HG3 GLN 106 2HG GLN 106 8.746 7.392 4.764 835 HE21 GLN 106 1HE2 GLN 106 8.763 9.523 7.456 836 HE22 GLN 106 2HE2 GLN 106 7.689 10.710 6.806 837 H GLY 107 H GLY 107 7.123 4.866 4.363 838 HA2 GLY 107 1HA GLY 107 9.349 4.868 2.580 839 HA3 GLY 107 2HA GLY 107 8.802 3.231 2.907 840 H ALA 108 H ALA 108 8.356 3.170 0.596 841 HA ALA 108 HA ALA 108 5.642 4.125 0.054 842 HB1 ALA 108 1HB ALA 108 6.613 5.796 -1.142 843 HB2 ALA 108 2HB ALA 108 8.086 4.875 -1.449 844 HB3 ALA 108 3HB ALA 108 6.625 4.538 -2.378 845 H TYR 109 H TYR 109 4.974 3.176 -2.224 846 HA TYR 109 HA TYR 109 6.128 0.697 -2.998 847 HB2 TYR 109 1HB TYR 109 4.889 0.256 -0.741 848 HB3 TYR 109 2HB TYR 109 3.434 0.338 -1.727 849 HD1 TYR 109 2HD TYR 109 3.902 -1.059 -4.103 850 HD2 TYR 109 1HD TYR 109 5.508 -1.904 -0.255 851 HE1 TYR 109 2HE TYR 109 4.205 -3.412 -4.752 852 HE2 TYR 109 1HE TYR 109 5.817 -4.259 -0.893 853 HH TYR 109 HH TYR 109 4.366 -5.760 -3.139 854 HA PRO 110 HA PRO 110 3.356 2.818 -6.050 855 HB2 PRO 110 1HB PRO 110 5.167 2.769 -8.071 856 HB3 PRO 110 2HB PRO 110 5.106 4.062 -6.867 857 HG2 PRO 110 1HG PRO 110 6.912 1.678 -6.997 858 HG3 PRO 110 2HG PRO 110 7.306 3.360 -6.597 859 HD2 PRO 110 1HD PRO 110 6.978 1.451 -4.704 860 HD3 PRO 110 2HD PRO 110 6.554 3.153 -4.428 861 H TYR 111 H TYR 111 2.301 1.905 -7.831 862 HA TYR 111 HA TYR 111 3.117 -0.750 -8.721 863 HB2 TYR 111 1HB TYR 111 0.556 -1.351 -8.449 864 HB3 TYR 111 2HB TYR 111 1.689 -1.578 -7.121 865 HD1 TYR 111 1HD TYR 111 -0.952 0.638 -8.455 866 HD2 TYR 111 2HD TYR 111 1.475 -0.344 -5.101 867 HE1 TYR 111 1HE TYR 111 -2.340 2.088 -7.034 868 HE2 TYR 111 2HE TYR 111 0.093 1.103 -3.671 869 HH TYR 111 HH TYR 111 -2.898 2.434 -4.746 870 H GLU 112 H GLU 112 1.312 -1.522 -10.389 871 HA GLU 112 HA GLU 112 1.503 0.057 -12.630 872 HB2 GLU 112 1HB GLU 112 -0.012 -2.296 -11.844 873 HB3 GLU 112 2HB GLU 112 -0.904 -1.295 -12.982 874 HG2 GLU 112 1HG GLU 112 1.138 -1.325 -14.445 875 HG3 GLU 112 2HG GLU 112 1.800 -2.546 -13.360 876 H PHE 113 H PHE 113 0.641 1.925 -13.229 877 HA PHE 113 HA PHE 113 -1.862 2.792 -11.937 878 HB2 PHE 113 1HB PHE 113 0.545 4.028 -11.684 879 HB3 PHE 113 2HB PHE 113 -0.108 4.871 -13.086 880 HD1 PHE 113 2HD PHE 113 -1.610 3.597 -9.915 881 HD2 PHE 113 1HD PHE 113 -0.935 6.920 -12.488 882 HE1 PHE 113 2HE PHE 113 -2.957 5.019 -8.426 883 HE2 PHE 113 1HE PHE 113 -2.280 8.348 -11.002 884 HZ PHE 113 HZ PHE 113 -3.294 7.397 -8.969 885 H ILE 114 H ILE 114 -0.889 1.503 -14.668 886 HA ILE 114 HA ILE 114 -1.405 3.060 -16.826 887 HB ILE 114 HB ILE 114 -2.476 0.260 -16.456 888 HG12 ILE 114 1HG1 ILE 114 -0.026 0.611 -18.010 889 HG13 ILE 114 2HG1 ILE 114 0.156 1.110 -16.332 890 HG21 ILE 114 1HG2 ILE 114 -3.495 1.202 -18.374 891 HG22 ILE 114 2HG2 ILE 114 -1.982 1.938 -18.903 892 HG23 ILE 114 3HG2 ILE 114 -2.177 0.186 -18.959 893 HD11 ILE 114 3HD1 ILE 114 0.789 -1.144 -16.404 894 HD12 ILE 114 1HD1 ILE 114 -0.832 -1.135 -15.709 895 HD13 ILE 114 2HD1 ILE 114 -0.598 -1.587 -17.398 896 H ASN 115 H ASN 115 -3.776 1.748 -14.582 897 HA ASN 115 HA ASN 115 -5.996 2.811 -16.126 898 HB2 ASN 115 1HB ASN 115 -5.724 1.092 -13.695 899 HB3 ASN 115 2HB ASN 115 -7.235 1.961 -13.950 900 HD21 ASN 115 1HD2 ASN 115 -8.219 1.684 -16.129 901 HD22 ASN 115 2HD2 ASN 115 -8.141 0.113 -16.843 902 H GLU 116 H GLU 116 -4.315 4.843 -15.421 903 HA GLU 116 HA GLU 116 -4.820 6.119 -12.987 904 HB2 GLU 116 1HB GLU 116 -3.907 8.095 -13.981 905 HB3 GLU 116 2HB GLU 116 -3.020 6.719 -14.622 906 HG2 GLU 116 1HG GLU 116 -3.393 7.577 -16.630 907 HG3 GLU 116 2HG GLU 116 -5.066 7.057 -16.435 908 H ASN 117 H ASN 117 -6.738 5.858 -15.856 909 HA ASN 117 HA ASN 117 -8.449 8.087 -15.310 910 HB2 ASN 117 1HB ASN 117 -9.315 5.770 -16.999 911 HB3 ASN 117 2HB ASN 117 -9.604 7.492 -17.234 912 HD21 ASN 117 1HD2 ASN 117 -7.244 4.925 -17.492 913 HD22 ASN 117 2HD2 ASN 117 -6.212 5.727 -18.622 914 H LYS 118 H LYS 118 -8.279 4.813 -14.255 915 HA LYS 118 HA LYS 118 -11.026 4.844 -13.260 916 HB2 LYS 118 1HB LYS 118 -8.942 2.654 -13.164 917 HB3 LYS 118 2HB LYS 118 -10.620 2.494 -12.662 918 HG2 LYS 118 1HG LYS 118 -9.646 3.062 -15.455 919 HG3 LYS 118 2HG LYS 118 -10.281 1.528 -14.857 920 HD2 LYS 118 1HD LYS 118 -12.379 2.916 -14.238 921 HD3 LYS 118 2HD LYS 118 -11.724 4.104 -15.368 922 HE2 LYS 118 1HE LYS 118 -11.672 2.379 -17.119 923 HE3 LYS 118 2HE LYS 118 -12.368 1.222 -15.986 924 HZ1 LYS 118 3HZ LYS 118 -14.296 2.752 -15.786 925 HZ2 LYS 118 1HZ LYS 118 -14.111 2.083 -17.329 926 HZ3 LYS 118 2HZ LYS 118 -13.645 3.683 -17.040 927 HA PRO 119 HA PRO 119 -9.971 5.899 -9.131 928 HB2 PRO 119 1HB PRO 119 -11.807 4.465 -7.738 929 HB3 PRO 119 2HB PRO 119 -12.224 5.900 -8.682 930 HG2 PRO 119 1HG PRO 119 -12.502 3.009 -9.407 931 HG3 PRO 119 2HG PRO 119 -13.643 4.342 -9.665 932 HD2 PRO 119 1HD PRO 119 -12.039 3.396 -11.631 933 HD3 PRO 119 2HD PRO 119 -12.530 5.099 -11.536 934 H VAL 120 H VAL 120 -8.737 5.212 -7.424 935 HA VAL 120 HA VAL 120 -7.716 2.474 -7.597 936 HB VAL 120 HB VAL 120 -6.619 4.741 -5.935 937 HG11 VAL 120 1HG1 VAL 120 -4.522 3.332 -6.146 938 HG12 VAL 120 2HG1 VAL 120 -5.803 2.679 -5.124 939 HG13 VAL 120 3HG1 VAL 120 -5.564 2.046 -6.753 940 HG21 VAL 120 3HG2 VAL 120 -4.854 4.638 -7.890 941 HG22 VAL 120 1HG2 VAL 120 -6.243 4.053 -8.806 942 HG23 VAL 120 2HG2 VAL 120 -6.305 5.632 -8.022 943 H HIS 121 H HIS 121 -9.115 1.189 -6.492 944 HA HIS 121 HA HIS 121 -10.463 1.877 -4.126 945 HB2 HIS 121 1HB HIS 121 -10.413 -0.311 -5.861 946 HB3 HIS 121 2HB HIS 121 -9.907 -0.965 -4.306 947 HD1 HIS 121 1HD HIS 121 -11.717 0.713 -2.453 948 HD2 HIS 121 2HD HIS 121 -13.006 -1.144 -5.939 949 HE1 HIS 121 1HE HIS 121 -14.197 0.408 -2.174 950 H PHE 122 H PHE 122 -9.139 2.730 -2.566 951 HA PHE 122 HA PHE 122 -6.732 1.388 -1.735 952 HB2 PHE 122 1HB PHE 122 -8.209 3.836 -0.816 953 HB3 PHE 122 2HB PHE 122 -6.903 3.166 0.156 954 HD1 PHE 122 2HD PHE 122 -4.800 2.475 -1.507 955 HD2 PHE 122 1HD PHE 122 -7.584 5.647 -2.056 956 HE1 PHE 122 2HE PHE 122 -3.156 3.674 -2.890 957 HE2 PHE 122 1HE PHE 122 -5.945 6.851 -3.441 958 HZ PHE 122 HZ PHE 122 -3.727 5.865 -3.859 959 H LYS 123 H LYS 123 -7.254 -0.621 -0.950 960 HA LYS 123 HA LYS 123 -9.162 -0.772 1.273 961 HB2 LYS 123 1HB LYS 123 -7.996 -2.831 -0.584 962 HB3 LYS 123 2HB LYS 123 -8.783 -3.300 0.917 963 HG2 LYS 123 1HG LYS 123 -10.865 -2.610 0.198 964 HG3 LYS 123 2HG LYS 123 -10.196 -1.511 -1.012 965 HD2 LYS 123 1HD LYS 123 -9.996 -3.139 -2.565 966 HD3 LYS 123 2HD LYS 123 -9.534 -4.359 -1.377 967 HE2 LYS 123 1HE LYS 123 -12.330 -3.354 -1.331 968 HE3 LYS 123 2HE LYS 123 -11.863 -4.435 -2.644 969 HZ1 LYS 123 3HZ LYS 123 -10.871 -5.547 -0.309 970 HZ2 LYS 123 1HZ LYS 123 -12.155 -6.114 -1.254 971 HZ3 LYS 123 2HZ LYS 123 -12.456 -5.069 0.041 972 H PHE 124 H PHE 124 -8.591 -2.069 3.155 973 HA PHE 124 HA PHE 124 -5.737 -2.425 3.642 974 HB2 PHE 124 1HB PHE 124 -7.519 -0.717 5.391 975 HB3 PHE 124 2HB PHE 124 -5.885 -1.223 5.810 976 HD1 PHE 124 2HD PHE 124 -7.889 0.852 3.523 977 HD2 PHE 124 1HD PHE 124 -3.984 -0.129 4.905 978 HE1 PHE 124 2HE PHE 124 -6.987 2.830 2.370 979 HE2 PHE 124 1HE PHE 124 -3.077 1.848 3.755 980 HZ PHE 124 HZ PHE 124 -4.578 3.329 2.484 981 H ARG 125 H ARG 125 -5.487 -4.403 4.420 982 HA ARG 125 HA ARG 125 -7.341 -5.400 6.447 983 HB2 ARG 125 1HB ARG 125 -7.794 -7.441 5.347 984 HB3 ARG 125 2HB ARG 125 -8.046 -6.192 4.134 985 HG2 ARG 125 1HG ARG 125 -6.700 -7.342 2.803 986 HG3 ARG 125 2HG ARG 125 -5.370 -6.896 3.873 987 HD2 ARG 125 1HD ARG 125 -6.470 -8.988 5.219 988 HD3 ARG 125 2HD ARG 125 -6.761 -9.461 3.546 989 HE ARG 125 HE ARG 125 -4.218 -9.309 4.895 990 HH11 ARG 125 1HH1 ARG 125 -5.860 -9.339 1.825 991 HH12 ARG 125 2HH1 ARG 125 -4.476 -9.897 0.943 992 HH21 ARG 125 1HH2 ARG 125 -2.390 -10.044 3.745 993 HH22 ARG 125 2HH2 ARG 125 -2.504 -10.298 2.037 994 H ASP 126 H ASP 126 -6.418 -7.874 6.875 995 HA ASP 126 HA ASP 126 -3.617 -8.197 6.795 996 HB2 ASP 126 1HB ASP 126 -3.053 -7.800 9.138 997 HB3 ASP 126 2HB ASP 126 -3.659 -6.322 8.395 998 H ARG 127 H ARG 127 -2.898 -9.992 8.302 999 HA ARG 127 HA ARG 127 -4.836 -12.115 8.142 1000 HB2 ARG 127 1HB ARG 127 -2.984 -13.530 9.001 1001 HB3 ARG 127 2HB ARG 127 -2.546 -12.610 7.568 1002 HG2 ARG 127 1HG ARG 127 -1.778 -10.926 9.571 1003 HG3 ARG 127 2HG ARG 127 -1.451 -12.512 10.272 1004 HD2 ARG 127 1HD ARG 127 0.082 -13.066 8.627 1005 HD3 ARG 127 2HD ARG 127 -0.579 -11.903 7.479 1006 HE ARG 127 HE ARG 127 0.757 -10.274 8.397 1007 HH11 ARG 127 1HH1 ARG 127 0.748 -13.081 10.457 1008 HH12 ARG 127 2HH1 ARG 127 2.033 -12.505 11.467 1009 HH21 ARG 127 1HH2 ARG 127 2.448 -9.505 9.720 1010 HH22 ARG 127 2HH2 ARG 127 2.998 -10.470 11.048 1011 H LEU 128 H LEU 128 -6.098 -10.568 9.765 1012 HA LEU 128 HA LEU 128 -5.520 -11.514 12.495 1013 HB2 LEU 128 1HB LEU 128 -5.754 -8.925 11.620 1014 HB3 LEU 128 2HB LEU 128 -7.368 -9.265 12.241 1015 HG LEU 128 HG LEU 128 -6.029 -8.203 13.947 1016 HD11 LEU 128 1HD1 LEU 128 -6.286 -9.822 15.728 1017 HD12 LEU 128 2HD1 LEU 128 -6.385 -11.134 14.554 1018 HD13 LEU 128 3HD1 LEU 128 -7.658 -9.915 14.622 1019 HD21 LEU 128 3HD2 LEU 128 -4.045 -9.427 14.869 1020 HD22 LEU 128 1HD2 LEU 128 -3.812 -8.737 13.263 1021 HD23 LEU 128 2HD2 LEU 128 -4.106 -10.466 13.444 1022 H LEU 129 H LEU 129 -7.032 -12.914 10.413 1023 HA LEU 129 HA LEU 129 -8.908 -14.188 10.243 1024 HB2 LEU 129 1HB LEU 129 -9.647 -13.264 13.004 1025 HB3 LEU 129 2HB LEU 129 -10.093 -14.769 12.203 1026 HG LEU 129 HG LEU 129 -7.270 -14.715 12.365 1027 HD11 LEU 129 1HD1 LEU 129 -6.773 -14.355 14.625 1028 HD12 LEU 129 2HD1 LEU 129 -8.475 -14.305 15.083 1029 HD13 LEU 129 3HD1 LEU 129 -7.771 -12.977 14.161 1030 HD21 LEU 129 3HD2 LEU 129 -9.002 -16.614 12.435 1031 HD22 LEU 129 1HD2 LEU 129 -9.079 -16.286 14.167 1032 HD23 LEU 129 2HD2 LEU 129 -7.552 -16.769 13.428 1033 H SER 130 H SER 130 -9.604 -12.595 8.658 1034 HA SER 130 HA SER 130 -11.856 -10.948 9.604 1035 HB2 SER 130 1HB SER 130 -11.276 -10.059 7.050 1036 HB3 SER 130 2HB SER 130 -10.751 -9.292 8.549 1037 HG SER 130 HG SER 130 -9.213 -10.249 6.697 1038 H LEU 131 H LEU 131 -10.945 -12.191 6.401 1039 HA LEU 131 HA LEU 131 -12.045 -13.520 4.912 1040 HB2 LEU 131 1HB LEU 131 -14.116 -14.182 6.966 1041 HB3 LEU 131 2HB LEU 131 -13.504 -15.174 5.643 1042 HG LEU 131 HG LEU 131 -12.179 -14.582 8.281 1043 HD11 LEU 131 1HD1 LEU 131 -13.376 -16.425 8.755 1044 HD12 LEU 131 2HD1 LEU 131 -12.077 -17.252 7.897 1045 HD13 LEU 131 3HD1 LEU 131 -13.578 -16.862 7.058 1046 HD21 LEU 131 3HD2 LEU 131 -10.270 -14.560 7.078 1047 HD22 LEU 131 1HD2 LEU 131 -11.006 -15.363 5.691 1048 HD23 LEU 131 2HD2 LEU 131 -10.497 -16.310 7.089 1049 H ASP 132 H ASP 132 -14.671 -12.330 7.012 1050 HA ASP 132 HA ASP 132 -16.313 -11.615 4.798 1051 HB2 ASP 132 1HB ASP 132 -16.520 -11.622 7.708 1052 HB3 ASP 132 2HB ASP 132 -17.305 -10.222 6.982 1053 H GLU 133 H GLU 133 -14.897 -10.251 3.576 1054 HA GLU 133 HA GLU 133 -14.207 -8.225 2.804 1055 HB2 GLU 133 1HB GLU 133 -15.785 -6.939 5.024 1056 HB3 GLU 133 2HB GLU 133 -15.394 -6.277 3.443 1057 HG2 GLU 133 1HG GLU 133 -16.844 -8.004 2.417 1058 HG3 GLU 133 2HG GLU 133 -17.307 -8.521 4.037 1059 HA PRO 134 HA PRO 134 -10.678 -7.134 5.175 1060 HB2 PRO 134 1HB PRO 134 -10.102 -4.686 4.154 1061 HB3 PRO 134 2HB PRO 134 -9.836 -6.186 3.259 1062 HG2 PRO 134 1HG PRO 134 -12.105 -4.242 3.067 1063 HG3 PRO 134 2HG PRO 134 -11.223 -5.064 1.767 1064 HD2 PRO 134 1HD PRO 134 -13.648 -5.898 2.635 1065 HD3 PRO 134 2HD PRO 134 -12.415 -7.019 2.022 1066 H ILE 135 H ILE 135 -9.739 -5.180 6.432 1067 HA ILE 135 HA ILE 135 -11.424 -4.580 8.564 1068 HB ILE 135 HB ILE 135 -8.949 -3.095 7.675 1069 HG12 ILE 135 1HG1 ILE 135 -9.335 -5.327 9.682 1070 HG13 ILE 135 2HG1 ILE 135 -8.551 -5.473 8.112 1071 HG21 ILE 135 1HG2 ILE 135 -8.827 -2.314 10.001 1072 HG22 ILE 135 2HG2 ILE 135 -10.276 -1.735 9.181 1073 HG23 ILE 135 3HG2 ILE 135 -10.386 -3.073 10.326 1074 HD11 ILE 135 3HD1 ILE 135 -6.915 -5.357 9.888 1075 HD12 ILE 135 1HD1 ILE 135 -6.804 -3.933 8.853 1076 HD13 ILE 135 2HD1 ILE 135 -7.585 -3.818 10.431 1077 H ALA 136 H ALA 136 -10.808 -2.829 5.592 1078 HA ALA 136 HA ALA 136 -13.201 -1.327 5.821 1079 HB1 ALA 136 1HB ALA 136 -12.454 0.831 6.282 1080 HB2 ALA 136 2HB ALA 136 -11.579 -0.169 7.443 1081 HB3 ALA 136 3HB ALA 136 -10.766 0.412 5.990 1082 H SER 137 H SER 137 -12.740 0.790 4.185 1083 HA SER 137 HA SER 137 -11.103 0.269 1.948 1084 HB2 SER 137 1HB SER 137 -12.936 -0.292 0.319 1085 HB3 SER 137 2HB SER 137 -12.569 -1.579 1.469 1086 HG SER 137 HG SER 137 -14.374 -0.395 2.716 1087 H GLU 138 H GLU 138 -11.238 1.896 0.364 1088 HA GLU 138 HA GLU 138 -13.292 3.883 0.411 1089 HB2 GLU 138 1HB GLU 138 -12.180 4.679 2.372 1090 HB3 GLU 138 2HB GLU 138 -10.601 4.520 1.616 1091 HG2 GLU 138 1HG GLU 138 -10.784 6.470 0.493 1092 HG3 GLU 138 2HG GLU 138 -12.525 6.309 0.274 1093 H GLU 139 H GLU 139 -13.409 4.839 -1.528 1094 HA GLU 139 HA GLU 139 -11.321 4.246 -3.468 1095 HB2 GLU 139 1HB GLU 139 -14.061 5.476 -3.814 1096 HB3 GLU 139 2HB GLU 139 -12.956 5.095 -5.127 1097 HG2 GLU 139 1HG GLU 139 -13.932 3.114 -5.242 1098 HG3 GLU 139 2HG GLU 139 -13.159 2.727 -3.706 1099 H ILE 140 H ILE 140 -10.115 5.753 -4.544 1100 HA ILE 140 HA ILE 140 -10.554 8.585 -3.959 1101 HB ILE 140 HB ILE 140 -7.896 7.211 -3.544 1102 HG12 ILE 140 1HG1 ILE 140 -9.769 8.547 -1.579 1103 HG13 ILE 140 2HG1 ILE 140 -9.468 6.818 -1.703 1104 HG21 ILE 140 1HG2 ILE 140 -7.097 9.418 -2.843 1105 HG22 ILE 140 2HG2 ILE 140 -7.634 9.423 -4.522 1106 HG23 ILE 140 3HG2 ILE 140 -8.661 10.115 -3.266 1107 HD11 ILE 140 3HD1 ILE 140 -7.841 7.045 -0.231 1108 HD12 ILE 140 1HD1 ILE 140 -6.961 8.038 -1.392 1109 HD13 ILE 140 2HD1 ILE 140 -8.045 8.796 -0.225 1110 H THR 141 H THR 141 -9.829 9.985 -5.538 1111 HA THR 141 HA THR 141 -8.947 8.700 -8.033 1112 HB THR 141 HB THR 141 -9.712 11.278 -8.700 1113 HG1 THR 141 1HG THR 141 -11.258 11.880 -7.385 1114 HG21 THR 141 3HG2 THR 141 -10.602 9.908 -10.227 1115 HG22 THR 141 1HG2 THR 141 -11.970 9.727 -9.129 1116 HG23 THR 141 2HG2 THR 141 -10.650 8.557 -9.094 1117 H ILE 142 H ILE 142 -6.756 8.761 -7.965 1118 HA ILE 142 HA ILE 142 -5.459 11.328 -7.361 1119 HB ILE 142 HB ILE 142 -4.068 8.674 -7.661 1120 HG12 ILE 142 1HG1 ILE 142 -5.179 9.934 -5.144 1121 HG13 ILE 142 2HG1 ILE 142 -5.748 8.448 -5.898 1122 HG21 ILE 142 1HG2 ILE 142 -2.211 9.826 -7.272 1123 HG22 ILE 142 2HG2 ILE 142 -3.160 11.310 -7.362 1124 HG23 ILE 142 3HG2 ILE 142 -2.900 10.523 -5.805 1125 HD11 ILE 142 3HD1 ILE 142 -3.571 7.413 -5.459 1126 HD12 ILE 142 1HD1 ILE 142 -3.042 8.895 -4.661 1127 HD13 ILE 142 2HD1 ILE 142 -4.369 7.952 -3.982 1128 H THR 143 H THR 143 -4.070 12.302 -8.797 1129 HA THR 143 HA THR 143 -3.160 12.884 -10.802 1130 HB THR 143 HB THR 143 -3.402 9.981 -11.598 1131 HG1 THR 143 1HG THR 143 -2.264 10.497 -9.513 1132 HG21 THR 143 3HG2 THR 143 -2.693 11.032 -13.504 1133 HG22 THR 143 1HG2 THR 143 -1.136 10.783 -12.715 1134 HG23 THR 143 2HG2 THR 143 -1.930 12.355 -12.623 Start of MODEL 2 1 H1 MET 1 H MET 1 -26.563 -7.212 14.935 2 HA MET 1 HA MET 1 -27.285 -5.205 13.971 3 HB2 MET 1 1HB MET 1 -28.306 -3.439 15.389 4 HB3 MET 1 2HB MET 1 -29.189 -4.959 15.432 5 HG2 MET 1 1HG MET 1 -28.168 -5.501 17.577 6 HG3 MET 1 2HG MET 1 -27.266 -3.988 17.533 7 HE1 MET 1 3HE MET 1 -28.532 -4.406 20.016 8 HE2 MET 1 1HE MET 1 -30.158 -3.793 20.320 9 HE3 MET 1 2HE MET 1 -29.938 -5.382 19.587 10 H ASP 2 H ASP 2 -24.722 -5.889 14.536 11 HA ASP 2 HA ASP 2 -23.497 -3.302 14.891 12 HB2 ASP 2 1HB ASP 2 -22.046 -3.885 16.717 13 HB3 ASP 2 2HB ASP 2 -23.704 -4.198 17.223 14 H GLU 3 H GLU 3 -20.980 -3.624 14.778 15 HA GLU 3 HA GLU 3 -20.084 -5.926 13.319 16 HB2 GLU 3 1HB GLU 3 -20.840 -3.432 11.902 17 HB3 GLU 3 2HB GLU 3 -19.326 -4.182 11.418 18 HG2 GLU 3 1HG GLU 3 -20.752 -6.348 11.273 19 HG3 GLU 3 2HG GLU 3 -22.110 -5.226 11.194 20 H VAL 4 H VAL 4 -18.263 -6.215 14.437 21 HA VAL 4 HA VAL 4 -16.723 -4.111 15.559 22 HB VAL 4 HB VAL 4 -15.012 -5.902 15.967 23 HG11 VAL 4 1HG1 VAL 4 -16.350 -7.089 17.614 24 HG12 VAL 4 2HG1 VAL 4 -16.781 -5.378 17.586 25 HG13 VAL 4 3HG1 VAL 4 -17.831 -6.566 16.812 26 HG21 VAL 4 3HG2 VAL 4 -17.076 -7.781 14.840 27 HG22 VAL 4 1HG2 VAL 4 -15.676 -7.224 13.923 28 HG23 VAL 4 2HG2 VAL 4 -15.447 -8.163 15.398 29 H LEU 5 H LEU 5 -14.318 -3.930 15.106 30 HA LEU 5 HA LEU 5 -13.734 -4.162 12.236 31 HB2 LEU 5 1HB LEU 5 -13.169 -1.736 13.934 32 HB3 LEU 5 2HB LEU 5 -12.720 -1.946 12.243 33 HG LEU 5 HG LEU 5 -15.496 -2.319 12.339 34 HD11 LEU 5 1HD1 LEU 5 -14.971 0.314 13.617 35 HD12 LEU 5 2HD1 LEU 5 -15.069 -1.117 14.643 36 HD13 LEU 5 3HD1 LEU 5 -16.432 -0.674 13.615 37 HD21 LEU 5 3HD2 LEU 5 -14.337 -1.344 10.482 38 HD22 LEU 5 1HD2 LEU 5 -13.784 0.006 11.473 39 HD23 LEU 5 2HD2 LEU 5 -15.498 -0.164 11.091 40 H ALA 6 H ALA 6 -11.774 -4.962 11.795 41 HA ALA 6 HA ALA 6 -9.663 -5.772 12.060 42 HB1 ALA 6 1HB ALA 6 -9.266 -4.015 14.449 43 HB2 ALA 6 2HB ALA 6 -8.109 -4.490 13.205 44 HB3 ALA 6 3HB ALA 6 -9.375 -3.320 12.832 45 H THR 7 H THR 7 -12.050 -6.713 13.718 46 HA THR 7 HA THR 7 -12.498 -8.332 15.254 47 HB THR 7 HB THR 7 -9.745 -9.297 15.570 48 HG1 THR 7 1HG THR 7 -9.463 -9.867 13.427 49 HG21 THR 7 3HG2 THR 7 -12.432 -10.405 14.854 50 HG22 THR 7 1HG2 THR 7 -11.376 -10.819 16.204 51 HG23 THR 7 2HG2 THR 7 -10.979 -11.365 14.574 52 H SER 8 H SER 8 -11.864 -5.746 16.239 53 HA SER 8 HA SER 8 -11.503 -4.679 18.216 54 HB2 SER 8 1HB SER 8 -12.550 -7.094 18.931 55 HB3 SER 8 2HB SER 8 -11.020 -7.116 19.807 56 HG SER 8 HG SER 8 -12.036 -5.915 21.195 57 H ILE 9 H ILE 9 -9.311 -5.059 16.538 58 HA ILE 9 HA ILE 9 -7.140 -5.109 18.513 59 HB ILE 9 HB ILE 9 -7.113 -6.501 15.837 60 HG12 ILE 9 1HG1 ILE 9 -6.105 -7.963 18.129 61 HG13 ILE 9 2HG1 ILE 9 -7.748 -7.397 18.410 62 HG21 ILE 9 1HG2 ILE 9 -5.027 -5.393 15.972 63 HG22 ILE 9 2HG2 ILE 9 -4.845 -5.791 17.680 64 HG23 ILE 9 3HG2 ILE 9 -4.732 -7.061 16.462 65 HD11 ILE 9 3HD1 ILE 9 -8.304 -9.308 17.389 66 HD12 ILE 9 1HD1 ILE 9 -7.986 -8.394 15.915 67 HD13 ILE 9 2HD1 ILE 9 -6.743 -9.454 16.581 68 H GLY 10 H GLY 10 -7.206 -4.711 14.979 69 HA2 GLY 10 1HA GLY 10 -5.661 -2.264 15.241 70 HA3 GLY 10 2HA GLY 10 -6.059 -3.093 13.744 71 H THR 11 H THR 11 -6.420 -0.770 13.123 72 HA THR 11 HA THR 11 -9.191 -0.270 12.917 73 HB THR 11 HB THR 11 -8.654 2.144 14.117 74 HG1 THR 11 1HG THR 11 -7.755 1.585 16.158 75 HG21 THR 11 3HG2 THR 11 -10.670 1.510 14.841 76 HG22 THR 11 1HG2 THR 11 -9.843 0.616 16.116 77 HG23 THR 11 2HG2 THR 11 -10.288 -0.196 14.615 78 H TYR 12 H TYR 12 -9.625 1.141 11.280 79 HA TYR 12 HA TYR 12 -7.323 2.574 10.124 80 HB2 TYR 12 1HB TYR 12 -7.822 0.754 8.660 81 HB3 TYR 12 2HB TYR 12 -9.550 1.083 8.734 82 HD1 TYR 12 2HD TYR 12 -6.321 2.437 7.506 83 HD2 TYR 12 1HD TYR 12 -10.563 2.551 7.200 84 HE1 TYR 12 2HE TYR 12 -6.132 3.843 5.496 85 HE2 TYR 12 1HE TYR 12 -10.386 3.956 5.189 86 HH TYR 12 HH TYR 12 -8.682 4.395 3.394 87 H GLU 13 H GLU 13 -7.695 4.616 10.814 88 HA GLU 13 HA GLU 13 -9.668 6.171 9.542 89 HB2 GLU 13 1HB GLU 13 -11.080 6.786 11.410 90 HB3 GLU 13 2HB GLU 13 -11.146 5.045 11.176 91 HG2 GLU 13 1HG GLU 13 -9.714 4.668 13.047 92 HG3 GLU 13 2HG GLU 13 -9.393 6.393 13.213 93 H ASN 14 H ASN 14 -9.802 8.431 10.673 94 HA ASN 14 HA ASN 14 -8.689 10.333 11.235 95 HB2 ASN 14 1HB ASN 14 -6.901 8.610 12.948 96 HB3 ASN 14 2HB ASN 14 -7.342 10.297 13.195 97 HD21 ASN 14 1HD2 ASN 14 -7.614 7.927 14.928 98 HD22 ASN 14 2HD2 ASN 14 -9.287 7.861 15.355 99 H ARG 15 H ARG 15 -7.745 8.656 8.989 100 HA ARG 15 HA ARG 15 -6.098 8.702 7.421 101 HB2 ARG 15 1HB ARG 15 -6.240 11.190 8.017 102 HB3 ARG 15 2HB ARG 15 -4.798 10.921 8.988 103 HG2 ARG 15 1HG ARG 15 -4.219 11.814 6.812 104 HG3 ARG 15 2HG ARG 15 -3.595 10.173 6.997 105 HD2 ARG 15 1HD ARG 15 -4.656 10.690 4.773 106 HD3 ARG 15 2HD ARG 15 -5.292 9.275 5.611 107 HE ARG 15 HE ARG 15 -6.781 11.650 6.177 108 HH11 ARG 15 1HH1 ARG 15 -6.335 9.077 3.874 109 HH12 ARG 15 2HH1 ARG 15 -7.944 9.188 3.242 110 HH21 ARG 15 1HH2 ARG 15 -8.902 11.806 5.352 111 HH22 ARG 15 2HH2 ARG 15 -9.403 10.741 4.083 112 H THR 16 H THR 16 -5.839 6.896 9.551 113 HA THR 16 HA THR 16 -3.044 6.276 9.340 114 HB THR 16 HB THR 16 -4.171 6.938 12.067 115 HG1 THR 16 1HG THR 16 -3.261 8.797 11.663 116 HG21 THR 16 3HG2 THR 16 -1.543 6.467 12.479 117 HG22 THR 16 1HG2 THR 16 -1.876 5.297 11.203 118 HG23 THR 16 2HG2 THR 16 -2.802 5.253 12.704 119 H LEU 17 H LEU 17 -2.605 4.126 9.761 120 HA LEU 17 HA LEU 17 -4.959 2.462 10.356 121 HB2 LEU 17 1HB LEU 17 -3.370 2.418 8.141 122 HB3 LEU 17 2HB LEU 17 -2.631 1.164 9.135 123 HG LEU 17 HG LEU 17 -5.576 1.064 8.753 124 HD11 LEU 17 1HD1 LEU 17 -4.288 1.547 6.515 125 HD12 LEU 17 2HD1 LEU 17 -5.556 0.323 6.588 126 HD13 LEU 17 3HD1 LEU 17 -3.861 -0.159 6.650 127 HD21 LEU 17 3HD2 LEU 17 -4.546 -1.425 8.372 128 HD22 LEU 17 1HD2 LEU 17 -5.054 -0.772 9.930 129 HD23 LEU 17 2HD2 LEU 17 -3.354 -0.714 9.461 130 H LEU 18 H LEU 18 -4.496 0.377 11.435 131 HA LEU 18 HA LEU 18 -2.069 0.259 13.022 132 HB2 LEU 18 1HB LEU 18 -3.351 1.617 14.468 133 HB3 LEU 18 2HB LEU 18 -4.805 0.657 14.199 134 HG LEU 18 HG LEU 18 -3.658 -1.228 15.407 135 HD11 LEU 18 1HD1 LEU 18 -1.517 0.748 15.422 136 HD12 LEU 18 2HD1 LEU 18 -1.456 -0.996 15.679 137 HD13 LEU 18 3HD1 LEU 18 -1.864 0.078 17.017 138 HD21 LEU 18 3HD2 LEU 18 -5.224 -0.277 16.756 139 HD22 LEU 18 1HD2 LEU 18 -4.532 1.339 16.610 140 HD23 LEU 18 2HD2 LEU 18 -3.778 0.150 17.673 141 H VAL 19 H VAL 19 -1.479 -1.791 13.480 142 HA VAL 19 HA VAL 19 -3.393 -3.945 13.566 143 HB VAL 19 HB VAL 19 -1.951 -5.208 11.779 144 HG11 VAL 19 1HG1 VAL 19 -3.786 -5.094 10.495 145 HG12 VAL 19 2HG1 VAL 19 -4.439 -4.093 11.793 146 HG13 VAL 19 3HG1 VAL 19 -3.712 -3.336 10.375 147 HG21 VAL 19 3HG2 VAL 19 -1.625 -2.340 10.901 148 HG22 VAL 19 1HG2 VAL 19 -0.333 -3.405 11.453 149 HG23 VAL 19 2HG2 VAL 19 -1.195 -3.766 9.958 150 HA PRO 20 HA PRO 20 -0.373 -5.785 16.164 151 HB2 PRO 20 1HB PRO 20 -0.757 -8.431 15.691 152 HB3 PRO 20 2HB PRO 20 -1.906 -7.440 16.599 153 HG2 PRO 20 1HG PRO 20 -1.994 -8.294 13.731 154 HG3 PRO 20 2HG PRO 20 -3.303 -8.251 14.926 155 HD2 PRO 20 1HD PRO 20 -2.981 -6.326 13.048 156 HD3 PRO 20 2HD PRO 20 -3.640 -5.986 14.661 157 H ASP 21 H ASP 21 -0.174 -6.068 12.791 158 HA ASP 21 HA ASP 21 2.306 -7.596 12.817 159 HB2 ASP 21 1HB ASP 21 0.346 -6.760 10.767 160 HB3 ASP 21 2HB ASP 21 2.024 -6.824 10.235 161 H GLY 22 H GLY 22 1.165 -4.311 12.307 162 HA2 GLY 22 1HA GLY 22 3.802 -3.273 12.809 163 HA3 GLY 22 2HA GLY 22 3.283 -3.054 11.144 164 H ARG 23 H ARG 23 2.997 -0.887 11.072 165 HA ARG 23 HA ARG 23 0.650 0.193 12.290 166 HB2 ARG 23 1HB ARG 23 2.610 0.285 14.041 167 HB3 ARG 23 2HB ARG 23 3.133 1.663 13.081 168 HG2 ARG 23 1HG ARG 23 0.381 2.009 13.547 169 HG3 ARG 23 2HG ARG 23 1.104 1.525 15.082 170 HD2 ARG 23 1HD ARG 23 1.140 3.939 14.861 171 HD3 ARG 23 2HD ARG 23 2.782 3.299 14.835 172 HE ARG 23 HE ARG 23 1.916 3.511 12.197 173 HH11 ARG 23 1HH1 ARG 23 2.619 5.593 14.897 174 HH12 ARG 23 2HH1 ARG 23 3.088 6.935 13.907 175 HH21 ARG 23 1HH2 ARG 23 2.532 5.271 10.883 176 HH22 ARG 23 2HH2 ARG 23 3.038 6.751 11.624 177 H LEU 24 H LEU 24 0.083 0.683 10.176 178 HA LEU 24 HA LEU 24 1.823 2.328 8.548 179 HB2 LEU 24 1HB LEU 24 -0.891 1.112 8.151 180 HB3 LEU 24 2HB LEU 24 -0.232 2.284 7.011 181 HG LEU 24 HG LEU 24 1.771 0.367 7.299 182 HD11 LEU 24 1HD1 LEU 24 -0.498 -1.289 6.507 183 HD12 LEU 24 2HD1 LEU 24 -0.499 -0.853 8.216 184 HD13 LEU 24 3HD1 LEU 24 0.895 -1.676 7.517 185 HD21 LEU 24 3HD2 LEU 24 1.008 -0.264 4.971 186 HD22 LEU 24 1HD2 LEU 24 1.363 1.443 5.236 187 HD23 LEU 24 2HD2 LEU 24 -0.311 0.887 5.190 188 H ALA 25 H ALA 25 0.859 4.294 7.469 189 HA ALA 25 HA ALA 25 -1.207 5.740 8.798 190 HB1 ALA 25 1HB ALA 25 0.381 6.094 10.529 191 HB2 ALA 25 2HB ALA 25 1.647 6.506 9.371 192 HB3 ALA 25 3HB ALA 25 0.280 7.595 9.608 193 H LEU 26 H LEU 26 -2.104 6.967 7.284 194 HA LEU 26 HA LEU 26 -0.852 7.386 4.760 195 HB2 LEU 26 1HB LEU 26 -3.390 8.493 5.946 196 HB3 LEU 26 2HB LEU 26 -2.883 8.753 4.278 197 HG LEU 26 HG LEU 26 -4.478 7.040 4.176 198 HD11 LEU 26 1HD1 LEU 26 -2.061 5.313 4.320 199 HD12 LEU 26 2HD1 LEU 26 -2.088 6.639 3.158 200 HD13 LEU 26 3HD1 LEU 26 -3.328 5.387 3.095 201 HD21 LEU 26 3HD2 LEU 26 -4.362 6.606 6.675 202 HD22 LEU 26 1HD2 LEU 26 -3.053 5.480 6.314 203 HD23 LEU 26 2HD2 LEU 26 -4.661 5.207 5.642 204 H THR 27 H THR 27 0.912 8.677 4.793 205 HA THR 27 HA THR 27 1.033 11.094 6.335 206 HB THR 27 HB THR 27 3.139 11.446 4.818 207 HG1 THR 27 1HG THR 27 3.800 9.104 4.284 208 HG21 THR 27 3HG2 THR 27 2.662 9.577 7.064 209 HG22 THR 27 1HG2 THR 27 3.748 10.961 6.954 210 HG23 THR 27 2HG2 THR 27 4.203 9.423 6.221 211 H ALA 28 H ALA 28 1.199 10.502 2.816 212 HA ALA 28 HA ALA 28 -0.720 12.379 2.077 213 HB1 ALA 28 1HB ALA 28 1.616 13.794 1.218 214 HB2 ALA 28 2HB ALA 28 0.247 14.373 2.167 215 HB3 ALA 28 3HB ALA 28 1.629 13.633 2.974 216 H LEU 29 H LEU 29 -1.185 10.810 0.553 217 HA LEU 29 HA LEU 29 0.607 9.557 -1.166 218 HB2 LEU 29 1HB LEU 29 -2.239 10.300 -1.814 219 HB3 LEU 29 2HB LEU 29 -1.292 8.999 -2.533 220 HG LEU 29 HG LEU 29 -1.934 9.009 0.398 221 HD11 LEU 29 1HD1 LEU 29 -3.683 8.126 -1.881 222 HD12 LEU 29 2HD1 LEU 29 -4.087 9.196 -0.538 223 HD13 LEU 29 3HD1 LEU 29 -3.841 7.474 -0.250 224 HD21 LEU 29 3HD2 LEU 29 -1.523 6.677 0.249 225 HD22 LEU 29 1HD2 LEU 29 -0.204 7.480 -0.603 226 HD23 LEU 29 2HD2 LEU 29 -1.510 6.722 -1.514 227 H HIS 30 H HIS 30 1.532 10.066 -3.081 228 HA HIS 30 HA HIS 30 0.836 12.645 -4.311 229 HB2 HIS 30 1HB HIS 30 3.645 11.608 -3.872 230 HB3 HIS 30 2HB HIS 30 3.216 13.092 -4.718 231 HD1 HIS 30 1HD HIS 30 1.380 14.511 -2.886 232 HD2 HIS 30 2HD HIS 30 4.627 12.339 -1.473 233 HE1 HIS 30 1HE HIS 30 1.879 15.453 -0.609 234 H LYS 31 H LYS 31 0.999 12.751 -6.539 235 HA LYS 31 HA LYS 31 1.302 10.151 -7.877 236 HB2 LYS 31 1HB LYS 31 -0.082 11.048 -9.654 237 HB3 LYS 31 2HB LYS 31 -0.892 11.271 -8.108 238 HG2 LYS 31 1HG LYS 31 -0.517 13.569 -8.105 239 HG3 LYS 31 2HG LYS 31 0.759 13.456 -9.320 240 HD2 LYS 31 1HD LYS 31 -2.141 12.818 -9.846 241 HD3 LYS 31 2HD LYS 31 -1.399 14.386 -10.171 242 HE2 LYS 31 1HE LYS 31 0.269 13.168 -11.613 243 HE3 LYS 31 2HE LYS 31 -0.733 11.730 -11.427 244 HZ1 LYS 31 3HZ LYS 31 -1.039 13.415 -13.423 245 HZ2 LYS 31 1HZ LYS 31 -2.063 14.172 -12.309 246 HZ3 LYS 31 2HZ LYS 31 -2.342 12.566 -12.758 247 H GLY 32 H GLY 32 2.593 9.920 -9.692 248 HA2 GLY 32 1HA GLY 32 4.224 12.246 -10.466 249 HA3 GLY 32 2HA GLY 32 5.013 10.745 -10.008 250 H LYS 33 H LYS 33 5.977 10.428 -12.004 251 HA LYS 33 HA LYS 33 4.126 9.577 -14.123 252 HB2 LYS 33 1HB LYS 33 5.325 10.679 -15.814 253 HB3 LYS 33 2HB LYS 33 5.200 11.869 -14.525 254 HG2 LYS 33 1HG LYS 33 7.479 11.328 -13.812 255 HG3 LYS 33 2HG LYS 33 7.601 10.151 -15.122 256 HD2 LYS 33 1HD LYS 33 8.596 11.972 -16.102 257 HD3 LYS 33 2HD LYS 33 6.921 12.217 -16.602 258 HE2 LYS 33 1HE LYS 33 7.040 14.240 -15.684 259 HE3 LYS 33 2HE LYS 33 7.108 13.446 -14.112 260 HZ1 LYS 33 3HZ LYS 33 9.012 15.075 -15.113 261 HZ2 LYS 33 1HZ LYS 33 9.642 13.547 -15.471 262 HZ3 LYS 33 2HZ LYS 33 9.255 13.948 -13.875 263 H ASP 34 H ASP 34 4.988 7.990 -15.581 264 HA ASP 34 HA ASP 34 7.331 6.551 -14.523 265 HB2 ASP 34 1HB ASP 34 6.268 4.472 -14.737 266 HB3 ASP 34 2HB ASP 34 5.018 5.509 -14.054 267 H TYR 35 H TYR 35 7.230 4.514 -16.519 268 HA TYR 35 HA TYR 35 8.833 5.598 -18.498 269 HB2 TYR 35 1HB TYR 35 8.181 3.490 -19.809 270 HB3 TYR 35 2HB TYR 35 8.929 3.263 -18.232 271 HD1 TYR 35 2HD TYR 35 5.706 3.195 -20.048 272 HD2 TYR 35 1HD TYR 35 7.779 2.151 -16.482 273 HE1 TYR 35 2HE TYR 35 3.796 1.813 -19.349 274 HE2 TYR 35 1HE TYR 35 5.875 0.765 -15.774 275 HH TYR 35 HH TYR 35 3.567 0.465 -16.170 276 H GLN 36 H GLN 36 5.340 5.214 -18.409 277 HA GLN 36 HA GLN 36 5.087 6.261 -21.122 278 HB2 GLN 36 1HB GLN 36 3.354 4.764 -19.264 279 HB3 GLN 36 2HB GLN 36 2.529 5.967 -20.247 280 HG2 GLN 36 1HG GLN 36 4.130 4.680 -22.069 281 HG3 GLN 36 2HG GLN 36 3.628 3.381 -20.988 282 HE21 GLN 36 1HE2 GLN 36 1.276 3.271 -20.531 283 HE22 GLN 36 2HE2 GLN 36 0.188 3.621 -21.827 284 H GLY 37 H GLY 37 5.961 7.823 -18.666 285 HA2 GLY 37 1HA GLY 37 5.402 9.793 -17.552 286 HA3 GLY 37 2HA GLY 37 5.224 10.323 -19.218 287 H LYS 38 H LYS 38 3.233 8.180 -17.193 288 HA LYS 38 HA LYS 38 1.138 10.097 -16.899 289 HB2 LYS 38 1HB LYS 38 1.115 8.323 -19.219 290 HB3 LYS 38 2HB LYS 38 -0.332 8.168 -18.232 291 HG2 LYS 38 1HG LYS 38 -1.016 10.316 -18.647 292 HG3 LYS 38 2HG LYS 38 0.621 10.889 -18.976 293 HD2 LYS 38 1HD LYS 38 -0.934 9.022 -20.765 294 HD3 LYS 38 2HD LYS 38 -0.820 10.768 -20.998 295 HE2 LYS 38 1HE LYS 38 1.739 10.354 -20.935 296 HE3 LYS 38 2HE LYS 38 1.307 8.676 -21.263 297 HZ1 LYS 38 3HZ LYS 38 0.697 9.153 -23.359 298 HZ2 LYS 38 1HZ LYS 38 1.711 10.493 -23.162 299 HZ3 LYS 38 2HZ LYS 38 0.040 10.660 -22.960 300 HA PRO 39 HA PRO 39 -0.390 5.932 -15.053 301 HB2 PRO 39 1HB PRO 39 0.939 3.662 -15.725 302 HB3 PRO 39 2HB PRO 39 -0.413 4.299 -16.669 303 HG2 PRO 39 1HG PRO 39 2.528 4.559 -17.160 304 HG3 PRO 39 2HG PRO 39 1.227 4.217 -18.315 305 HD2 PRO 39 1HD PRO 39 2.318 6.680 -18.038 306 HD3 PRO 39 2HD PRO 39 0.615 6.433 -18.475 307 H MET 40 H MET 40 0.643 7.047 -13.279 308 HA MET 40 HA MET 40 2.618 5.391 -11.975 309 HB2 MET 40 1HB MET 40 3.956 6.999 -13.352 310 HB3 MET 40 2HB MET 40 3.233 8.314 -12.435 311 HG2 MET 40 1HG MET 40 5.412 7.836 -11.560 312 HG3 MET 40 2HG MET 40 4.193 7.370 -10.376 313 HE1 MET 40 3HE MET 40 6.047 4.597 -9.191 314 HE2 MET 40 1HE MET 40 5.031 6.024 -8.981 315 HE3 MET 40 2HE MET 40 4.297 4.471 -9.378 316 H PHE 41 H PHE 41 2.697 5.693 -9.733 317 HA PHE 41 HA PHE 41 1.338 7.823 -8.417 318 HB2 PHE 41 1HB PHE 41 -0.706 6.806 -8.954 319 HB3 PHE 41 2HB PHE 41 -0.061 5.183 -8.740 320 HD1 PHE 41 2HD PHE 41 -0.336 8.262 -6.642 321 HD2 PHE 41 1HD PHE 41 -0.955 4.063 -6.961 322 HE1 PHE 41 2HE PHE 41 -1.217 8.221 -4.345 323 HE2 PHE 41 1HE PHE 41 -1.839 4.015 -4.665 324 HZ PHE 41 HZ PHE 41 -1.969 6.096 -3.354 325 H TYR 42 H TYR 42 1.906 7.950 -6.292 326 HA TYR 42 HA TYR 42 3.504 5.717 -5.222 327 HB2 TYR 42 1HB TYR 42 3.898 8.679 -4.750 328 HB3 TYR 42 2HB TYR 42 4.847 7.393 -4.014 329 HD1 TYR 42 2HD TYR 42 6.160 5.849 -5.589 330 HD2 TYR 42 1HD TYR 42 4.526 9.582 -6.812 331 HE1 TYR 42 2HE TYR 42 7.709 5.894 -7.499 332 HE2 TYR 42 1HE TYR 42 6.069 9.637 -8.727 333 HH TYR 42 HH TYR 42 7.343 7.814 -10.116 334 H VAL 43 H VAL 43 3.090 5.025 -3.186 335 HA VAL 43 HA VAL 43 0.797 6.257 -1.823 336 HB VAL 43 HB VAL 43 1.955 3.531 -1.262 337 HG11 VAL 43 1HG1 VAL 43 0.055 3.122 -0.008 338 HG12 VAL 43 2HG1 VAL 43 0.380 4.819 0.351 339 HG13 VAL 43 3HG1 VAL 43 -0.874 4.387 -0.812 340 HG21 VAL 43 3HG2 VAL 43 -0.461 3.242 -2.649 341 HG22 VAL 43 1HG2 VAL 43 0.484 4.413 -3.568 342 HG23 VAL 43 2HG2 VAL 43 1.156 2.822 -3.213 343 H LEU 44 H LEU 44 1.878 7.893 -0.712 344 HA LEU 44 HA LEU 44 4.187 7.401 0.889 345 HB2 LEU 44 1HB LEU 44 2.259 9.676 0.619 346 HB3 LEU 44 2HB LEU 44 3.470 9.671 1.900 347 HG LEU 44 HG LEU 44 4.186 11.003 -0.018 348 HD11 LEU 44 1HD1 LEU 44 5.957 8.635 -0.182 349 HD12 LEU 44 2HD1 LEU 44 5.705 9.355 1.407 350 HD13 LEU 44 3HD1 LEU 44 6.351 10.332 0.090 351 HD21 LEU 44 3HD2 LEU 44 4.425 8.528 -1.671 352 HD22 LEU 44 1HD2 LEU 44 4.369 10.217 -2.176 353 HD23 LEU 44 2HD2 LEU 44 2.898 9.410 -1.630 354 H PHE 45 H PHE 45 3.991 5.958 2.501 355 HA PHE 45 HA PHE 45 1.997 6.533 4.576 356 HB2 PHE 45 1HB PHE 45 1.608 4.109 4.884 357 HB3 PHE 45 2HB PHE 45 1.097 4.669 3.295 358 HD1 PHE 45 2HD PHE 45 3.954 3.058 5.046 359 HD2 PHE 45 1HD PHE 45 1.833 3.577 1.393 360 HE1 PHE 45 2HE PHE 45 5.349 1.326 3.994 361 HE2 PHE 45 1HE PHE 45 3.224 1.845 0.335 362 HZ PHE 45 HZ PHE 45 4.985 0.718 1.635 363 H GLU 46 H GLU 46 2.577 5.809 6.693 364 HA GLU 46 HA GLU 46 5.483 5.640 7.043 365 HB2 GLU 46 1HB GLU 46 3.871 7.380 8.195 366 HB3 GLU 46 2HB GLU 46 3.593 6.058 9.320 367 HG2 GLU 46 1HG GLU 46 6.307 6.081 9.170 368 HG3 GLU 46 2HG GLU 46 5.923 7.792 8.988 369 H LEU 47 H LEU 47 5.626 3.397 6.544 370 HA LEU 47 HA LEU 47 4.197 1.472 8.139 371 HB2 LEU 47 1HB LEU 47 4.752 0.930 5.857 372 HB3 LEU 47 2HB LEU 47 6.466 1.186 6.176 373 HG LEU 47 HG LEU 47 5.525 -1.229 6.009 374 HD11 LEU 47 1HD1 LEU 47 7.414 -1.922 7.039 375 HD12 LEU 47 2HD1 LEU 47 7.131 -0.933 8.471 376 HD13 LEU 47 3HD1 LEU 47 7.783 -0.198 7.006 377 HD21 LEU 47 3HD2 LEU 47 4.983 -0.749 8.925 378 HD22 LEU 47 1HD2 LEU 47 4.605 -2.172 7.953 379 HD23 LEU 47 2HD2 LEU 47 3.710 -0.672 7.706 380 H THR 48 H THR 48 4.710 1.227 10.212 381 HA THR 48 HA THR 48 7.533 1.403 11.013 382 HB THR 48 HB THR 48 5.240 1.327 12.953 383 HG1 THR 48 1HG THR 48 4.950 3.494 12.713 384 HG21 THR 48 3HG2 THR 48 7.100 3.045 13.925 385 HG22 THR 48 1HG2 THR 48 8.119 1.939 13.005 386 HG23 THR 48 2HG2 THR 48 7.068 1.318 14.278 387 H ASN 49 H ASN 49 8.396 -0.589 10.780 388 HA ASN 49 HA ASN 49 7.040 -3.022 11.144 389 HB2 ASN 49 1HB ASN 49 9.257 -2.598 9.932 390 HB3 ASN 49 2HB ASN 49 10.010 -2.668 11.522 391 HD21 ASN 49 1HD2 ASN 49 11.184 -4.472 10.615 392 HD22 ASN 49 2HD2 ASN 49 10.459 -6.040 10.614 393 H THR 50 H THR 50 5.966 -3.208 13.062 394 HA THR 50 HA THR 50 7.214 -2.601 15.579 395 HB THR 50 HB THR 50 4.742 -2.389 15.146 396 HG1 THR 50 1HG THR 50 5.397 -4.119 17.313 397 HG21 THR 50 3HG2 THR 50 4.168 -5.148 15.844 398 HG22 THR 50 1HG2 THR 50 4.980 -5.017 14.284 399 HG23 THR 50 2HG2 THR 50 3.476 -4.141 14.572 400 H THR 51 H THR 51 7.318 -5.226 13.478 401 HA THR 51 HA THR 51 7.467 -7.356 15.366 402 HB THR 51 HB THR 51 8.143 -8.751 13.567 403 HG1 THR 51 1HG THR 51 9.127 -7.997 11.752 404 HG21 THR 51 3HG2 THR 51 5.840 -8.041 13.374 405 HG22 THR 51 1HG2 THR 51 6.545 -8.160 11.763 406 HG23 THR 51 2HG2 THR 51 6.326 -6.580 12.515 407 H GLU 52 H GLU 52 9.734 -8.757 14.692 408 HA GLU 52 HA GLU 52 11.961 -6.999 15.459 409 HB2 GLU 52 1HB GLU 52 11.331 -9.679 16.709 410 HB3 GLU 52 2HB GLU 52 12.760 -8.710 17.040 411 HG2 GLU 52 1HG GLU 52 10.697 -6.958 17.518 412 HG3 GLU 52 2HG GLU 52 10.068 -8.495 18.108 413 H LYS 53 H LYS 53 11.448 -7.862 12.874 414 HA LYS 53 HA LYS 53 13.676 -9.738 12.446 415 HB2 LYS 53 1HB LYS 53 11.385 -9.622 10.523 416 HB3 LYS 53 2HB LYS 53 12.529 -10.926 10.812 417 HG2 LYS 53 1HG LYS 53 11.365 -10.964 13.176 418 HG3 LYS 53 2HG LYS 53 10.043 -10.219 12.275 419 HD2 LYS 53 1HD LYS 53 10.812 -12.279 10.629 420 HD3 LYS 53 2HD LYS 53 11.023 -12.970 12.240 421 HE2 LYS 53 1HE LYS 53 8.517 -11.492 11.538 422 HE3 LYS 53 2HE LYS 53 8.725 -13.173 11.051 423 HZ1 LYS 53 3HZ LYS 53 8.228 -12.062 13.669 424 HZ2 LYS 53 1HZ LYS 53 9.432 -13.250 13.639 425 HZ3 LYS 53 2HZ LYS 53 7.882 -13.603 13.063 426 H THR 54 H THR 54 15.057 -9.284 10.761 427 HA THR 54 HA THR 54 14.841 -6.576 9.675 428 HB THR 54 HB THR 54 17.239 -8.329 9.270 429 HG1 THR 54 1HG THR 54 17.873 -8.067 11.309 430 HG21 THR 54 3HG2 THR 54 17.280 -6.217 8.139 431 HG22 THR 54 1HG2 THR 54 18.383 -6.113 9.510 432 HG23 THR 54 2HG2 THR 54 16.788 -5.364 9.602 433 H GLN 55 H GLN 55 13.391 -9.063 8.694 434 HA GLN 55 HA GLN 55 14.437 -9.842 6.207 435 HB2 GLN 55 1HB GLN 55 12.126 -10.592 5.705 436 HB3 GLN 55 2HB GLN 55 12.702 -11.139 7.273 437 HG2 GLN 55 1HG GLN 55 11.494 -8.878 8.026 438 HG3 GLN 55 2HG GLN 55 10.534 -9.257 6.597 439 HE21 GLN 55 1HE2 GLN 55 9.485 -9.221 9.172 440 HE22 GLN 55 2HE2 GLN 55 9.021 -10.827 9.606 441 H ASN 56 H ASN 56 13.022 -9.439 4.134 442 HA ASN 56 HA ASN 56 13.529 -6.903 3.204 443 HB2 ASN 56 1HB ASN 56 11.811 -9.148 2.321 444 HB3 ASN 56 2HB ASN 56 11.433 -7.572 1.630 445 HD21 ASN 56 1HD2 ASN 56 13.809 -6.400 1.298 446 HD22 ASN 56 2HD2 ASN 56 14.803 -7.309 0.215 447 H ILE 57 H ILE 57 11.842 -5.318 2.373 448 HA ILE 57 HA ILE 57 10.181 -4.537 4.629 449 HB ILE 57 HB ILE 57 10.606 -3.035 2.047 450 HG12 ILE 57 1HG1 ILE 57 12.048 -1.992 4.328 451 HG13 ILE 57 2HG1 ILE 57 12.535 -3.650 3.991 452 HG21 ILE 57 1HG2 ILE 57 10.206 -1.210 4.039 453 HG22 ILE 57 2HG2 ILE 57 8.965 -1.797 2.933 454 HG23 ILE 57 3HG2 ILE 57 9.143 -2.530 4.527 455 HD11 ILE 57 3HD1 ILE 57 14.006 -2.319 2.764 456 HD12 ILE 57 1HD1 ILE 57 12.831 -2.893 1.581 457 HD13 ILE 57 2HD1 ILE 57 12.718 -1.249 2.211 458 H GLN 58 H GLN 58 9.731 -4.822 1.099 459 HA GLN 58 HA GLN 58 7.006 -4.493 0.976 460 HB2 GLN 58 1HB GLN 58 8.186 -4.622 -1.066 461 HB3 GLN 58 2HB GLN 58 8.868 -6.193 -0.668 462 HG2 GLN 58 1HG GLN 58 6.662 -7.211 -0.879 463 HG3 GLN 58 2HG GLN 58 5.971 -5.637 -1.267 464 HE21 GLN 58 1HE2 GLN 58 7.815 -4.602 -2.974 465 HE22 GLN 58 2HE2 GLN 58 7.893 -5.556 -4.412 466 H LEU 59 H LEU 59 8.805 -7.247 2.106 467 HA LEU 59 HA LEU 59 6.959 -9.289 1.919 468 HB2 LEU 59 1HB LEU 59 9.374 -8.806 3.301 469 HB3 LEU 59 2HB LEU 59 8.218 -9.417 4.483 470 HG LEU 59 HG LEU 59 9.490 -11.256 3.627 471 HD11 LEU 59 1HD1 LEU 59 6.787 -11.194 3.712 472 HD12 LEU 59 2HD1 LEU 59 7.739 -12.644 3.397 473 HD13 LEU 59 3HD1 LEU 59 7.055 -11.730 2.053 474 HD21 LEU 59 3HD2 LEU 59 9.930 -9.930 1.414 475 HD22 LEU 59 1HD2 LEU 59 8.512 -10.811 0.844 476 HD23 LEU 59 2HD2 LEU 59 9.929 -11.694 1.414 477 H MET 60 H MET 60 6.917 -6.495 3.964 478 HA MET 60 HA MET 60 4.770 -7.590 5.616 479 HB2 MET 60 1HB MET 60 6.079 -4.873 5.797 480 HB3 MET 60 2HB MET 60 5.040 -5.628 6.998 481 HG2 MET 60 1HG MET 60 6.679 -7.194 7.593 482 HG3 MET 60 2HG MET 60 7.639 -6.858 6.154 483 HE1 MET 60 3HE MET 60 6.034 -4.894 9.192 484 HE2 MET 60 1HE MET 60 7.090 -3.481 9.223 485 HE3 MET 60 2HE MET 60 6.061 -3.782 7.823 486 H ILE 61 H ILE 61 5.378 -4.721 3.591 487 HA ILE 61 HA ILE 61 2.864 -3.595 3.642 488 HB ILE 61 HB ILE 61 4.800 -3.701 1.328 489 HG12 ILE 61 1HG1 ILE 61 5.736 -2.657 3.319 490 HG13 ILE 61 2HG1 ILE 61 5.409 -1.429 2.101 491 HG21 ILE 61 1HG2 ILE 61 3.471 -1.459 0.854 492 HG22 ILE 61 2HG2 ILE 61 2.933 -3.013 0.220 493 HG23 ILE 61 3HG2 ILE 61 2.182 -2.345 1.669 494 HD11 ILE 61 3HD1 ILE 61 4.767 -0.622 4.270 495 HD12 ILE 61 1HD1 ILE 61 3.325 -0.862 3.283 496 HD13 ILE 61 2HD1 ILE 61 3.745 -2.035 4.532 497 H GLN 62 H GLN 62 4.085 -6.029 1.349 498 HA GLN 62 HA GLN 62 1.782 -6.298 -0.191 499 HB2 GLN 62 1HB GLN 62 4.198 -7.904 0.317 500 HB3 GLN 62 2HB GLN 62 2.804 -8.825 -0.231 501 HG2 GLN 62 1HG GLN 62 2.645 -7.016 -2.075 502 HG3 GLN 62 2HG GLN 62 4.318 -6.672 -1.639 503 HE21 GLN 62 1HE2 GLN 62 5.309 -9.140 -1.114 504 HE22 GLN 62 2HE2 GLN 62 5.279 -10.112 -2.542 505 H SER 63 H SER 63 2.480 -7.418 3.002 506 HA SER 63 HA SER 63 0.165 -9.209 2.997 507 HB2 SER 63 1HB SER 63 2.380 -9.924 3.993 508 HB3 SER 63 2HB SER 63 2.109 -8.729 5.262 509 HG SER 63 HG SER 63 0.736 -10.034 6.167 510 H PHE 64 H PHE 64 0.893 -6.020 3.652 511 HA PHE 64 HA PHE 64 -1.010 -5.725 5.834 512 HB2 PHE 64 1HB PHE 64 0.993 -3.947 4.512 513 HB3 PHE 64 2HB PHE 64 -0.359 -3.204 5.362 514 HD1 PHE 64 1HD PHE 64 -0.773 -4.715 7.709 515 HD2 PHE 64 2HD PHE 64 2.906 -3.830 5.760 516 HE1 PHE 64 1HE PHE 64 0.420 -4.987 9.844 517 HE2 PHE 64 2HE PHE 64 4.105 -4.102 7.891 518 HZ PHE 64 HZ PHE 64 2.862 -4.682 9.937 519 H MET 65 H MET 65 -0.575 -3.750 2.912 520 HA MET 65 HA MET 65 -3.494 -3.851 2.525 521 HB2 MET 65 1HB MET 65 -3.053 -1.612 1.298 522 HB3 MET 65 2HB MET 65 -3.071 -1.626 3.056 523 HG2 MET 65 1HG MET 65 -0.729 -1.481 3.187 524 HG3 MET 65 2HG MET 65 -0.533 -1.880 1.482 525 HE1 MET 65 3HE MET 65 -0.354 -0.669 -0.182 526 HE2 MET 65 1HE MET 65 -1.319 0.759 -0.557 527 HE3 MET 65 2HE MET 65 0.339 0.941 0.017 528 H GLU 66 H GLU 66 -4.297 -4.268 0.511 529 HA GLU 66 HA GLU 66 -2.320 -5.059 -1.519 530 HB2 GLU 66 1HB GLU 66 -4.876 -6.196 -0.618 531 HB3 GLU 66 2HB GLU 66 -4.692 -6.132 -2.365 532 HG2 GLU 66 1HG GLU 66 -3.460 -7.961 -2.293 533 HG3 GLU 66 2HG GLU 66 -2.267 -7.113 -1.311 534 H VAL 67 H VAL 67 -2.785 -4.618 -3.749 535 HA VAL 67 HA VAL 67 -4.760 -2.508 -4.243 536 HB VAL 67 HB VAL 67 -1.952 -2.302 -5.316 537 HG11 VAL 67 1HG1 VAL 67 -3.381 0.165 -5.071 538 HG12 VAL 67 2HG1 VAL 67 -2.753 -0.618 -6.522 539 HG13 VAL 67 3HG1 VAL 67 -4.372 -1.006 -5.940 540 HG21 VAL 67 3HG2 VAL 67 -1.382 -1.846 -3.179 541 HG22 VAL 67 1HG2 VAL 67 -2.096 -0.275 -3.546 542 HG23 VAL 67 2HG2 VAL 67 -3.042 -1.498 -2.697 543 H SER 68 H SER 68 -5.604 -2.465 -6.309 544 HA SER 68 HA SER 68 -4.519 -3.945 -8.482 545 HB2 SER 68 1HB SER 68 -6.865 -5.359 -8.386 546 HB3 SER 68 2HB SER 68 -5.296 -5.979 -7.873 547 HG SER 68 HG SER 68 -6.072 -6.081 -5.936 548 H GLN 69 H GLN 69 -5.853 -3.817 -10.407 549 HA GLN 69 HA GLN 69 -8.197 -2.108 -10.291 550 HB2 GLN 69 1HB GLN 69 -5.559 -1.236 -11.346 551 HB3 GLN 69 2HB GLN 69 -6.982 -0.787 -12.276 552 HG2 GLN 69 1HG GLN 69 -7.307 -0.272 -9.440 553 HG3 GLN 69 2HG GLN 69 -5.926 0.578 -10.131 554 HE21 GLN 69 1HE2 GLN 69 -6.277 2.370 -11.272 555 HE22 GLN 69 2HE2 GLN 69 -7.829 2.959 -11.750 556 H THR 70 H THR 70 -9.121 -1.793 -12.545 557 HA THR 70 HA THR 70 -9.457 -4.331 -13.752 558 HB THR 70 HB THR 70 -10.245 -2.139 -15.486 559 HG1 THR 70 1HG THR 70 -11.386 -2.102 -12.883 560 HG21 THR 70 3HG2 THR 70 -11.581 -3.921 -15.863 561 HG22 THR 70 1HG2 THR 70 -12.536 -3.240 -14.547 562 HG23 THR 70 2HG2 THR 70 -11.390 -4.542 -14.224 563 H VAL 71 H VAL 71 -8.873 -5.052 -15.826 564 HA VAL 71 HA VAL 71 -6.961 -3.501 -17.369 565 HB VAL 71 HB VAL 71 -6.230 -6.206 -16.240 566 HG11 VAL 71 1HG1 VAL 71 -5.357 -6.136 -18.425 567 HG12 VAL 71 2HG1 VAL 71 -4.898 -4.439 -18.273 568 HG13 VAL 71 3HG1 VAL 71 -4.019 -5.675 -17.373 569 HG21 VAL 71 3HG2 VAL 71 -5.255 -3.421 -15.666 570 HG22 VAL 71 1HG2 VAL 71 -5.881 -4.621 -14.535 571 HG23 VAL 71 2HG2 VAL 71 -4.300 -4.853 -15.281 572 H HIS 72 H HIS 72 -8.321 -3.529 -19.116 573 HA HIS 72 HA HIS 72 -9.271 -4.307 -21.031 574 HB2 HIS 72 1HB HIS 72 -7.104 -6.154 -20.459 575 HB3 HIS 72 2HB HIS 72 -8.423 -6.952 -21.311 576 HD1 HIS 72 1HD HIS 72 -9.146 -5.749 -23.629 577 HD2 HIS 72 2HD HIS 72 -5.453 -4.688 -22.049 578 HE1 HIS 72 1HE HIS 72 -7.887 -4.679 -25.524 579 H GLY 73 H GLY 73 -10.306 -4.990 -18.217 580 HA2 GLY 73 1HA GLY 73 -12.592 -5.677 -17.901 581 HA3 GLY 73 2HA GLY 73 -12.364 -6.871 -19.170 582 H LYS 74 H LYS 74 -9.788 -6.573 -16.941 583 HA LYS 74 HA LYS 74 -10.815 -8.624 -15.154 584 HB2 LYS 74 1HB LYS 74 -8.527 -9.057 -17.060 585 HB3 LYS 74 2HB LYS 74 -8.644 -9.956 -15.553 586 HG2 LYS 74 1HG LYS 74 -11.150 -10.250 -16.649 587 HG3 LYS 74 2HG LYS 74 -10.081 -10.305 -18.053 588 HD2 LYS 74 1HD LYS 74 -8.781 -12.077 -17.034 589 HD3 LYS 74 2HD LYS 74 -9.748 -11.975 -15.561 590 HE2 LYS 74 1HE LYS 74 -11.593 -12.315 -17.625 591 HE3 LYS 74 2HE LYS 74 -10.267 -13.410 -18.013 592 HZ1 LYS 74 3HZ LYS 74 -10.570 -13.880 -15.408 593 HZ2 LYS 74 1HZ LYS 74 -11.357 -14.765 -16.616 594 HZ3 LYS 74 2HZ LYS 74 -12.166 -13.508 -15.826 595 H ALA 75 H ALA 75 -10.157 -8.234 -13.143 596 HA ALA 75 HA ALA 75 -8.574 -6.043 -12.450 597 HB1 ALA 75 1HB ALA 75 -10.199 -7.026 -10.928 598 HB2 ALA 75 2HB ALA 75 -9.213 -8.483 -10.797 599 HB3 ALA 75 3HB ALA 75 -8.605 -6.949 -10.176 600 H GLN 76 H GLN 76 -6.458 -5.811 -11.789 601 HA GLN 76 HA GLN 76 -4.694 -8.129 -12.224 602 HB2 GLN 76 1HB GLN 76 -4.494 -6.560 -14.093 603 HB3 GLN 76 2HB GLN 76 -4.153 -5.250 -12.971 604 HG2 GLN 76 1HG GLN 76 -2.014 -5.882 -12.664 605 HG3 GLN 76 2HG GLN 76 -2.389 -7.600 -12.785 606 HE21 GLN 76 1HE2 GLN 76 -1.951 -4.654 -14.657 607 HE22 GLN 76 2HE2 GLN 76 -1.452 -5.435 -16.115 608 H ASN 77 H ASN 77 -3.009 -8.409 -10.807 609 HA ASN 77 HA ASN 77 -3.285 -7.218 -8.233 610 HB2 ASN 77 1HB ASN 77 -1.245 -8.557 -7.681 611 HB3 ASN 77 2HB ASN 77 -2.549 -9.508 -8.387 612 HD21 ASN 77 1HD2 ASN 77 -2.372 -10.154 -10.583 613 HD22 ASN 77 2HD2 ASN 77 -0.821 -10.302 -11.331 614 H LEU 78 H LEU 78 -3.014 -4.968 -8.792 615 HA LEU 78 HA LEU 78 -0.916 -3.731 -10.007 616 HB2 LEU 78 1HB LEU 78 -2.795 -3.014 -7.872 617 HB3 LEU 78 2HB LEU 78 -1.308 -2.069 -7.883 618 HG LEU 78 HG LEU 78 -1.767 -1.183 -10.019 619 HD11 LEU 78 1HD1 LEU 78 -3.625 -1.935 -11.419 620 HD12 LEU 78 2HD1 LEU 78 -4.006 -3.190 -10.240 621 HD13 LEU 78 3HD1 LEU 78 -2.475 -3.237 -11.114 622 HD21 LEU 78 3HD2 LEU 78 -4.314 -0.536 -9.709 623 HD22 LEU 78 1HD2 LEU 78 -3.056 0.112 -8.657 624 HD23 LEU 78 2HD2 LEU 78 -4.046 -1.244 -8.115 625 H GLN 79 H GLN 79 1.191 -4.065 -9.783 626 HA GLN 79 HA GLN 79 2.276 -4.379 -7.062 627 HB2 GLN 79 1HB GLN 79 4.055 -5.755 -8.009 628 HB3 GLN 79 2HB GLN 79 2.479 -6.440 -8.380 629 HG2 GLN 79 1HG GLN 79 3.141 -6.551 -10.488 630 HG3 GLN 79 2HG GLN 79 3.017 -4.794 -10.536 631 HE21 GLN 79 1HE2 GLN 79 4.677 -4.587 -12.017 632 HE22 GLN 79 2HE2 GLN 79 6.332 -4.853 -11.601 633 H TYR 80 H TYR 80 4.934 -4.114 -7.547 634 HA TYR 80 HA TYR 80 5.420 -1.429 -7.463 635 HB2 TYR 80 1HB TYR 80 7.090 -3.124 -6.865 636 HB3 TYR 80 2HB TYR 80 7.276 -3.550 -8.563 637 HD1 TYR 80 2HD TYR 80 7.548 -0.606 -6.282 638 HD2 TYR 80 1HD TYR 80 8.971 -2.553 -9.788 639 HE1 TYR 80 2HE TYR 80 9.304 1.100 -6.510 640 HE2 TYR 80 1HE TYR 80 10.731 -0.852 -10.025 641 HH TYR 80 HH TYR 80 11.916 0.765 -8.721 642 H ALA 81 H ALA 81 5.067 0.141 -8.871 643 HA ALA 81 HA ALA 81 4.710 -0.407 -11.677 644 HB1 ALA 81 1HB ALA 81 3.270 1.257 -11.260 645 HB2 ALA 81 2HB ALA 81 4.176 1.820 -9.855 646 HB3 ALA 81 3HB ALA 81 4.668 2.311 -11.476 647 H VAL 82 H VAL 82 6.270 -0.408 -13.146 648 HA VAL 82 HA VAL 82 8.946 0.334 -12.525 649 HB VAL 82 HB VAL 82 7.687 -0.336 -15.188 650 HG11 VAL 82 1HG1 VAL 82 9.585 0.585 -15.979 651 HG12 VAL 82 2HG1 VAL 82 10.414 0.472 -14.426 652 HG13 VAL 82 3HG1 VAL 82 10.300 -0.944 -15.472 653 HG21 VAL 82 3HG2 VAL 82 8.707 -2.535 -14.857 654 HG22 VAL 82 1HG2 VAL 82 9.303 -2.023 -13.279 655 HG23 VAL 82 2HG2 VAL 82 7.568 -2.158 -13.564 656 H LEU 83 H LEU 83 10.144 2.086 -13.157 657 HA LEU 83 HA LEU 83 8.941 4.134 -14.833 658 HB2 LEU 83 1HB LEU 83 9.694 5.839 -13.016 659 HB3 LEU 83 2HB LEU 83 8.123 5.048 -12.899 660 HG LEU 83 HG LEU 83 9.175 3.417 -11.301 661 HD11 LEU 83 1HD1 LEU 83 11.277 4.872 -10.276 662 HD12 LEU 83 2HD1 LEU 83 11.519 4.977 -12.020 663 HD13 LEU 83 3HD1 LEU 83 11.402 3.400 -11.240 664 HD21 LEU 83 3HD2 LEU 83 8.084 5.895 -10.876 665 HD22 LEU 83 1HD2 LEU 83 9.589 5.976 -9.960 666 HD23 LEU 83 2HD2 LEU 83 8.422 4.695 -9.628 667 H THR 84 H THR 84 10.433 5.537 -15.767 668 HA THR 84 HA THR 84 13.040 4.511 -16.134 669 HB THR 84 HB THR 84 13.457 6.374 -17.556 670 HG1 THR 84 1HG THR 84 12.095 8.230 -17.498 671 HG21 THR 84 3HG2 THR 84 11.170 4.798 -17.812 672 HG22 THR 84 1HG2 THR 84 11.972 5.715 -19.087 673 HG23 THR 84 2HG2 THR 84 10.636 6.436 -18.189 674 H ASP 85 H ASP 85 11.791 7.248 -14.265 675 HA ASP 85 HA ASP 85 13.783 7.083 -12.294 676 HB2 ASP 85 1HB ASP 85 14.944 8.104 -14.466 677 HB3 ASP 85 2HB ASP 85 14.233 9.590 -13.840 678 H SER 86 H SER 86 13.386 8.459 -10.564 679 HA SER 86 HA SER 86 11.494 10.627 -10.817 680 HB2 SER 86 1HB SER 86 10.754 7.999 -9.593 681 HB3 SER 86 2HB SER 86 10.111 9.479 -8.884 682 HG SER 86 HG SER 86 9.862 8.683 -11.599 683 HA PRO 87 HA PRO 87 13.644 12.217 -7.341 684 HB2 PRO 87 1HB PRO 87 11.694 13.566 -6.019 685 HB3 PRO 87 2HB PRO 87 12.378 14.123 -7.551 686 HG2 PRO 87 1HG PRO 87 9.827 12.641 -7.042 687 HG3 PRO 87 2HG PRO 87 10.128 14.010 -8.128 688 HD2 PRO 87 1HD PRO 87 9.980 11.455 -9.012 689 HD3 PRO 87 2HD PRO 87 11.027 12.669 -9.774 690 H PHE 88 H PHE 88 10.820 10.255 -6.776 691 HA PHE 88 HA PHE 88 11.499 9.887 -3.960 692 HB2 PHE 88 1HB PHE 88 9.142 9.114 -5.658 693 HB3 PHE 88 2HB PHE 88 9.399 8.372 -4.083 694 HD1 PHE 88 2HD PHE 88 9.260 9.711 -2.041 695 HD2 PHE 88 1HD PHE 88 8.429 11.385 -5.865 696 HE1 PHE 88 2HE PHE 88 8.161 11.627 -0.959 697 HE2 PHE 88 1HE PHE 88 7.329 13.305 -4.788 698 HZ PHE 88 HZ PHE 88 7.193 13.428 -2.332 699 H GLN 89 H GLN 89 13.400 8.929 -5.789 700 HA GLN 89 HA GLN 89 13.050 6.115 -6.203 701 HB2 GLN 89 1HB GLN 89 14.588 7.875 -7.442 702 HB3 GLN 89 2HB GLN 89 15.751 7.386 -6.217 703 HG2 GLN 89 1HG GLN 89 15.972 6.141 -8.331 704 HG3 GLN 89 2HG GLN 89 15.648 5.106 -6.941 705 HE21 GLN 89 1HE2 GLN 89 14.171 3.607 -7.232 706 HE22 GLN 89 2HE2 GLN 89 12.891 3.646 -8.390 707 H ASP 90 H ASP 90 14.241 8.108 -3.650 708 HA ASP 90 HA ASP 90 15.943 6.292 -2.349 709 HB2 ASP 90 1HB ASP 90 15.037 8.886 -1.887 710 HB3 ASP 90 2HB ASP 90 14.453 7.969 -0.501 711 H LYS 91 H LYS 91 12.456 6.816 -2.115 712 HA LYS 91 HA LYS 91 12.138 4.803 -0.071 713 HB2 LYS 91 1HB LYS 91 9.918 6.015 -1.703 714 HB3 LYS 91 2HB LYS 91 9.844 5.366 -0.070 715 HG2 LYS 91 1HG LYS 91 11.637 7.350 0.279 716 HG3 LYS 91 2HG LYS 91 10.645 8.030 -1.013 717 HD2 LYS 91 1HD LYS 91 8.749 8.092 0.292 718 HD3 LYS 91 2HD LYS 91 9.304 6.788 1.345 719 HE2 LYS 91 1HE LYS 91 9.295 8.991 2.461 720 HE3 LYS 91 2HE LYS 91 10.898 8.261 2.398 721 HZ1 LYS 91 3HZ LYS 91 10.058 10.151 0.302 722 HZ2 LYS 91 1HZ LYS 91 11.619 9.767 0.831 723 HZ3 LYS 91 2HZ LYS 91 10.615 10.734 1.789 724 H LEU 92 H LEU 92 11.848 5.026 -3.545 725 HA LEU 92 HA LEU 92 10.337 2.737 -4.060 726 HB2 LEU 92 1HB LEU 92 12.181 4.460 -5.552 727 HB3 LEU 92 2HB LEU 92 12.076 2.808 -6.159 728 HG LEU 92 HG LEU 92 9.737 3.039 -6.588 729 HD11 LEU 92 1HD1 LEU 92 9.926 5.141 -4.637 730 HD12 LEU 92 2HD1 LEU 92 8.500 4.312 -5.259 731 HD13 LEU 92 3HD1 LEU 92 9.137 5.724 -6.102 732 HD21 LEU 92 3HD2 LEU 92 11.536 5.201 -7.570 733 HD22 LEU 92 1HD2 LEU 92 9.824 5.254 -7.994 734 HD23 LEU 92 2HD2 LEU 92 10.801 3.857 -8.446 735 H ASP 93 H ASP 93 13.681 3.111 -3.166 736 HA ASP 93 HA ASP 93 14.386 0.390 -3.837 737 HB2 ASP 93 1HB ASP 93 15.892 2.527 -2.315 738 HB3 ASP 93 2HB ASP 93 16.555 0.956 -2.756 739 H ARG 94 H ARG 94 12.509 1.623 -1.498 740 HA ARG 94 HA ARG 94 13.530 0.001 0.699 741 HB2 ARG 94 1HB ARG 94 11.082 1.772 0.605 742 HB3 ARG 94 2HB ARG 94 11.797 1.052 2.042 743 HG2 ARG 94 1HG ARG 94 13.270 2.987 0.277 744 HG3 ARG 94 2HG ARG 94 12.293 3.487 1.659 745 HD2 ARG 94 1HD ARG 94 13.829 2.797 3.148 746 HD3 ARG 94 2HD ARG 94 14.199 1.336 2.233 747 HE ARG 94 HE ARG 94 15.242 3.586 0.895 748 HH11 ARG 94 1HH1 ARG 94 15.766 1.635 3.730 749 HH12 ARG 94 2HH1 ARG 94 17.468 1.954 3.795 750 HH21 ARG 94 1HH2 ARG 94 17.481 4.014 0.969 751 HH22 ARG 94 2HH2 ARG 94 18.442 3.308 2.225 752 H LEU 95 H LEU 95 12.413 -1.176 -1.792 753 HA LEU 95 HA LEU 95 10.229 -2.732 -0.571 754 HB2 LEU 95 1HB LEU 95 10.635 -2.265 -3.517 755 HB3 LEU 95 2HB LEU 95 9.259 -3.041 -2.735 756 HG LEU 95 HG LEU 95 9.984 -0.116 -2.665 757 HD11 LEU 95 1HD1 LEU 95 8.571 0.114 -4.356 758 HD12 LEU 95 2HD1 LEU 95 7.311 -0.752 -3.477 759 HD13 LEU 95 3HD1 LEU 95 8.469 -1.644 -4.464 760 HD21 LEU 95 3HD2 LEU 95 9.146 -0.453 -0.530 761 HD22 LEU 95 1HD2 LEU 95 8.035 -1.718 -1.055 762 HD23 LEU 95 2HD2 LEU 95 7.700 -0.032 -1.450 763 H ALA 96 H ALA 96 13.380 -2.802 -1.649 764 HA ALA 96 HA ALA 96 13.275 -5.728 -1.988 765 HB1 ALA 96 1HB ALA 96 15.539 -5.127 -3.301 766 HB2 ALA 96 2HB ALA 96 13.963 -5.246 -4.084 767 HB3 ALA 96 3HB ALA 96 14.605 -3.667 -3.629 768 H ASP 97 H ASP 97 14.281 -3.245 -0.055 769 HA ASP 97 HA ASP 97 16.691 -4.642 0.871 770 HB2 ASP 97 1HB ASP 97 16.139 -1.927 0.493 771 HB3 ASP 97 2HB ASP 97 16.120 -2.150 2.241 772 H GLU 98 H GLU 98 16.847 -3.889 3.465 773 HA GLU 98 HA GLU 98 14.749 -5.507 4.668 774 HB2 GLU 98 1HB GLU 98 17.238 -4.332 5.919 775 HB3 GLU 98 2HB GLU 98 16.165 -5.511 6.659 776 HG2 GLU 98 1HG GLU 98 16.903 -7.230 5.323 777 HG3 GLU 98 2HG GLU 98 17.461 -6.143 4.052 778 H ILE 99 H ILE 99 14.251 -4.707 7.063 779 HA ILE 99 HA ILE 99 13.450 -1.877 6.873 780 HB ILE 99 HB ILE 99 11.623 -2.932 8.602 781 HG12 ILE 99 1HG1 ILE 99 10.709 -4.946 7.397 782 HG13 ILE 99 2HG1 ILE 99 12.205 -4.997 6.472 783 HG21 ILE 99 1HG2 ILE 99 10.166 -2.091 7.119 784 HG22 ILE 99 2HG2 ILE 99 11.606 -1.585 6.238 785 HG23 ILE 99 3HG2 ILE 99 10.786 -3.083 5.799 786 HD11 ILE 99 3HD1 ILE 99 12.651 -4.890 9.341 787 HD12 ILE 99 1HD1 ILE 99 11.721 -6.299 8.831 788 HD13 ILE 99 2HD1 ILE 99 13.308 -5.988 8.128 789 H ASN 100 H ASN 100 12.724 -1.104 9.181 790 HA ASN 100 HA ASN 100 14.871 -1.875 11.044 791 HB2 ASN 100 1HB ASN 100 13.458 0.772 10.671 792 HB3 ASN 100 2HB ASN 100 14.557 0.430 12.004 793 HD21 ASN 100 1HD2 ASN 100 16.531 -0.983 10.777 794 HD22 ASN 100 2HD2 ASN 100 17.338 0.015 9.620 795 HA PRO 101 HA PRO 101 11.024 -3.256 13.132 796 HB2 PRO 101 1HB PRO 101 12.215 -5.344 14.394 797 HB3 PRO 101 2HB PRO 101 11.609 -5.443 12.737 798 HG2 PRO 101 1HG PRO 101 14.407 -5.007 13.708 799 HG3 PRO 101 2HG PRO 101 13.828 -6.048 12.394 800 HD2 PRO 101 1HD PRO 101 14.931 -3.615 11.947 801 HD3 PRO 101 2HD PRO 101 13.661 -4.293 10.909 802 H GLY 102 H GLY 102 10.869 -1.520 14.548 803 HA2 GLY 102 1HA GLY 102 10.820 -1.263 16.995 804 HA3 GLY 102 2HA GLY 102 12.506 -1.760 16.997 805 H GLU 103 H GLU 103 11.899 0.197 14.354 806 HA GLU 103 HA GLU 103 12.830 2.579 15.819 807 HB2 GLU 103 1HB GLU 103 14.559 1.555 14.351 808 HB3 GLU 103 2HB GLU 103 13.500 1.817 12.972 809 HG2 GLU 103 1HG GLU 103 13.815 4.089 12.983 810 HG3 GLU 103 2HG GLU 103 14.234 4.131 14.694 811 H THR 104 H THR 104 12.289 4.653 14.787 812 HA THR 104 HA THR 104 9.573 4.548 13.687 813 HB THR 104 HB THR 104 11.086 6.859 14.920 814 HG1 THR 104 1HG THR 104 8.843 5.393 15.897 815 HG21 THR 104 3HG2 THR 104 8.608 7.745 14.952 816 HG22 THR 104 1HG2 THR 104 8.431 6.661 13.572 817 HG23 THR 104 2HG2 THR 104 9.623 7.960 13.526 818 H ILE 105 H ILE 105 9.889 4.229 11.512 819 HA ILE 105 HA ILE 105 11.038 6.503 10.068 820 HB ILE 105 HB ILE 105 12.232 5.119 8.511 821 HG12 ILE 105 1HG1 ILE 105 12.323 2.561 9.574 822 HG13 ILE 105 2HG1 ILE 105 10.627 3.005 9.731 823 HG21 ILE 105 1HG2 ILE 105 13.134 5.684 10.911 824 HG22 ILE 105 2HG2 ILE 105 13.088 3.933 11.105 825 HG23 ILE 105 3HG2 ILE 105 14.057 4.652 9.819 826 HD11 ILE 105 3HD1 ILE 105 12.079 2.180 7.414 827 HD12 ILE 105 1HD1 ILE 105 10.348 2.449 7.613 828 HD13 ILE 105 2HD1 ILE 105 11.402 3.788 7.155 829 H GLN 106 H GLN 106 10.687 5.751 7.514 830 HA GLN 106 HA GLN 106 8.072 4.583 7.128 831 HB2 GLN 106 1HB GLN 106 7.032 6.514 6.147 832 HB3 GLN 106 2HB GLN 106 7.595 6.949 7.756 833 HG2 GLN 106 1HG GLN 106 9.525 8.067 6.805 834 HG3 GLN 106 2HG GLN 106 9.023 7.587 5.184 835 HE21 GLN 106 1HE2 GLN 106 8.080 9.476 8.001 836 HE22 GLN 106 2HE2 GLN 106 7.118 10.623 7.138 837 H GLY 107 H GLY 107 7.476 5.239 4.615 838 HA2 GLY 107 1HA GLY 107 9.689 5.389 2.838 839 HA3 GLY 107 2HA GLY 107 9.181 3.719 3.045 840 H ALA 108 H ALA 108 8.628 3.664 0.811 841 HA ALA 108 HA ALA 108 5.955 4.750 0.310 842 HB1 ALA 108 1HB ALA 108 6.473 5.770 -1.700 843 HB2 ALA 108 2HB ALA 108 7.869 6.178 -0.702 844 HB3 ALA 108 3HB ALA 108 7.981 4.875 -1.885 845 H TYR 109 H TYR 109 5.323 3.854 -2.063 846 HA TYR 109 HA TYR 109 6.294 1.328 -2.832 847 HB2 TYR 109 1HB TYR 109 5.146 0.896 -0.534 848 HB3 TYR 109 2HB TYR 109 3.646 1.057 -1.441 849 HD1 TYR 109 1HD TYR 109 3.833 -0.337 -3.816 850 HD2 TYR 109 2HD TYR 109 5.785 -1.278 -0.155 851 HE1 TYR 109 1HE TYR 109 3.997 -2.690 -4.516 852 HE2 TYR 109 2HE TYR 109 5.956 -3.633 -0.845 853 HH TYR 109 HH TYR 109 4.602 -4.746 -3.933 854 HA PRO 110 HA PRO 110 3.606 3.454 -5.885 855 HB2 PRO 110 1HB PRO 110 5.210 2.882 -8.000 856 HB3 PRO 110 2HB PRO 110 5.475 4.273 -6.941 857 HG2 PRO 110 1HG PRO 110 6.817 1.598 -6.925 858 HG3 PRO 110 2HG PRO 110 7.532 3.209 -6.736 859 HD2 PRO 110 1HD PRO 110 7.030 1.582 -4.631 860 HD3 PRO 110 2HD PRO 110 6.935 3.351 -4.514 861 H TYR 111 H TYR 111 2.037 2.514 -7.074 862 HA TYR 111 HA TYR 111 2.304 -0.364 -7.655 863 HB2 TYR 111 1HB TYR 111 -0.148 1.198 -6.828 864 HB3 TYR 111 2HB TYR 111 -0.195 -0.459 -7.418 865 HD1 TYR 111 2HD TYR 111 1.128 -2.220 -6.112 866 HD2 TYR 111 1HD TYR 111 0.236 1.641 -4.562 867 HE1 TYR 111 2HE TYR 111 1.531 -3.048 -3.832 868 HE2 TYR 111 1HE TYR 111 0.638 0.823 -2.278 869 HH TYR 111 HH TYR 111 0.852 -2.442 -1.506 870 H GLU 112 H GLU 112 0.720 -1.070 -9.414 871 HA GLU 112 HA GLU 112 1.352 0.264 -11.798 872 HB2 GLU 112 1HB GLU 112 0.072 -2.148 -11.050 873 HB3 GLU 112 2HB GLU 112 -1.026 -1.303 -12.132 874 HG2 GLU 112 1HG GLU 112 0.228 -1.736 -13.915 875 HG3 GLU 112 2HG GLU 112 1.715 -1.277 -13.087 876 H PHE 113 H PHE 113 0.431 1.896 -12.867 877 HA PHE 113 HA PHE 113 -2.185 2.863 -11.914 878 HB2 PHE 113 1HB PHE 113 0.204 4.226 -11.854 879 HB3 PHE 113 2HB PHE 113 -0.523 4.806 -13.348 880 HD1 PHE 113 2HD PHE 113 -1.970 3.907 -10.031 881 HD2 PHE 113 1HD PHE 113 -1.387 6.903 -12.997 882 HE1 PHE 113 2HE PHE 113 -3.378 5.455 -8.738 883 HE2 PHE 113 1HE PHE 113 -2.794 8.457 -11.708 884 HZ PHE 113 HZ PHE 113 -3.793 7.734 -9.577 885 H ILE 114 H ILE 114 -1.090 1.078 -14.253 886 HA ILE 114 HA ILE 114 -1.513 2.199 -16.710 887 HB ILE 114 HB ILE 114 -2.432 -0.546 -15.848 888 HG12 ILE 114 1HG1 ILE 114 0.189 0.377 -17.048 889 HG13 ILE 114 2HG1 ILE 114 -0.054 -0.133 -15.380 890 HG21 ILE 114 1HG2 ILE 114 -2.181 -1.126 -18.229 891 HG22 ILE 114 2HG2 ILE 114 -3.430 0.088 -17.959 892 HG23 ILE 114 3HG2 ILE 114 -1.854 0.569 -18.589 893 HD11 ILE 114 3HD1 ILE 114 -0.908 -2.334 -16.499 894 HD12 ILE 114 1HD1 ILE 114 0.045 -1.759 -17.867 895 HD13 ILE 114 2HD1 ILE 114 0.818 -2.031 -16.305 896 H ASN 115 H ASN 115 -3.897 1.384 -14.297 897 HA ASN 115 HA ASN 115 -6.064 2.086 -16.149 898 HB2 ASN 115 1HB ASN 115 -5.840 0.071 -14.221 899 HB3 ASN 115 2HB ASN 115 -6.939 1.251 -13.515 900 HD21 ASN 115 1HD2 ASN 115 -6.464 0.385 -16.903 901 HD22 ASN 115 2HD2 ASN 115 -8.077 -0.176 -17.169 902 H GLU 116 H GLU 116 -4.376 4.144 -15.205 903 HA GLU 116 HA GLU 116 -5.223 5.506 -12.946 904 HB2 GLU 116 1HB GLU 116 -4.342 7.534 -14.022 905 HB3 GLU 116 2HB GLU 116 -3.249 6.170 -14.207 906 HG2 GLU 116 1HG GLU 116 -5.214 6.709 -16.368 907 HG3 GLU 116 2HG GLU 116 -3.814 7.769 -16.214 908 H ASN 117 H ASN 117 -6.806 5.090 -15.985 909 HA ASN 117 HA ASN 117 -8.553 7.324 -15.844 910 HB2 ASN 117 1HB ASN 117 -9.282 4.772 -17.247 911 HB3 ASN 117 2HB ASN 117 -9.616 6.434 -17.724 912 HD21 ASN 117 1HD2 ASN 117 -7.131 3.980 -17.469 913 HD22 ASN 117 2HD2 ASN 117 -6.068 4.665 -18.647 914 H LYS 118 H LYS 118 -8.528 4.216 -14.348 915 HA LYS 118 HA LYS 118 -11.302 4.565 -13.441 916 HB2 LYS 118 1HB LYS 118 -9.620 2.089 -13.092 917 HB3 LYS 118 2HB LYS 118 -11.369 2.237 -12.979 918 HG2 LYS 118 1HG LYS 118 -9.700 2.456 -15.474 919 HG3 LYS 118 2HG LYS 118 -10.785 1.136 -15.032 920 HD2 LYS 118 1HD LYS 118 -12.628 2.906 -14.976 921 HD3 LYS 118 2HD LYS 118 -11.482 3.954 -15.814 922 HE2 LYS 118 1HE LYS 118 -11.257 1.868 -17.405 923 HE3 LYS 118 2HE LYS 118 -12.853 1.484 -16.762 924 HZ1 LYS 118 3HZ LYS 118 -13.598 2.835 -18.351 925 HZ2 LYS 118 1HZ LYS 118 -12.076 3.520 -18.633 926 HZ3 LYS 118 2HZ LYS 118 -13.052 4.112 -17.385 927 HA PRO 119 HA PRO 119 -10.071 5.539 -9.341 928 HB2 PRO 119 1HB PRO 119 -12.053 4.369 -7.901 929 HB3 PRO 119 2HB PRO 119 -12.300 5.829 -8.866 930 HG2 PRO 119 1HG PRO 119 -12.948 2.984 -9.535 931 HG3 PRO 119 2HG PRO 119 -13.916 4.445 -9.804 932 HD2 PRO 119 1HD PRO 119 -12.471 3.273 -11.771 933 HD3 PRO 119 2HD PRO 119 -12.743 5.026 -11.701 934 H VAL 120 H VAL 120 -8.843 4.736 -7.701 935 HA VAL 120 HA VAL 120 -8.050 1.954 -7.880 936 HB VAL 120 HB VAL 120 -7.036 4.031 -5.940 937 HG11 VAL 120 1HG1 VAL 120 -6.353 1.905 -5.218 938 HG12 VAL 120 2HG1 VAL 120 -6.037 1.353 -6.865 939 HG13 VAL 120 3HG1 VAL 120 -4.973 2.542 -6.113 940 HG21 VAL 120 3HG2 VAL 120 -6.349 5.106 -7.798 941 HG22 VAL 120 1HG2 VAL 120 -5.104 3.857 -7.826 942 HG23 VAL 120 2HG2 VAL 120 -6.550 3.684 -8.822 943 H HIS 121 H HIS 121 -9.095 0.429 -6.797 944 HA HIS 121 HA HIS 121 -10.777 1.074 -4.542 945 HB2 HIS 121 1HB HIS 121 -11.303 -0.642 -6.364 946 HB3 HIS 121 2HB HIS 121 -10.141 -1.693 -5.559 947 HD1 HIS 121 1HD HIS 121 -13.380 -1.984 -5.839 948 HD2 HIS 121 2HD HIS 121 -11.174 -1.014 -2.455 949 HE1 HIS 121 1HE HIS 121 -14.835 -2.610 -3.886 950 H PHE 122 H PHE 122 -8.769 1.873 -3.371 951 HA PHE 122 HA PHE 122 -6.770 0.196 -2.423 952 HB2 PHE 122 1HB PHE 122 -8.064 2.611 -1.153 953 HB3 PHE 122 2HB PHE 122 -6.643 1.817 -0.485 954 HD1 PHE 122 2HD PHE 122 -4.822 1.334 -2.497 955 HD2 PHE 122 1HD PHE 122 -7.607 4.544 -2.276 956 HE1 PHE 122 2HE PHE 122 -3.379 2.682 -3.965 957 HE2 PHE 122 1HE PHE 122 -6.169 5.898 -3.744 958 HZ PHE 122 HZ PHE 122 -4.051 4.967 -4.589 959 H LYS 123 H LYS 123 -6.851 -1.568 -1.217 960 HA LYS 123 HA LYS 123 -9.109 -1.901 0.647 961 HB2 LYS 123 1HB LYS 123 -7.757 -3.763 -1.218 962 HB3 LYS 123 2HB LYS 123 -8.201 -4.424 0.350 963 HG2 LYS 123 1HG LYS 123 -10.438 -4.260 -0.055 964 HG3 LYS 123 2HG LYS 123 -10.252 -2.887 -1.149 965 HD2 LYS 123 1HD LYS 123 -9.730 -4.225 -2.953 966 HD3 LYS 123 2HD LYS 123 -9.144 -5.545 -1.938 967 HE2 LYS 123 1HE LYS 123 -11.548 -5.829 -1.177 968 HE3 LYS 123 2HE LYS 123 -11.990 -4.743 -2.494 969 HZ1 LYS 123 3HZ LYS 123 -10.293 -6.709 -3.524 970 HZ2 LYS 123 1HZ LYS 123 -11.930 -6.457 -3.869 971 HZ3 LYS 123 2HZ LYS 123 -11.481 -7.494 -2.610 972 H PHE 124 H PHE 124 -8.572 -3.417 2.503 973 HA PHE 124 HA PHE 124 -5.801 -3.393 3.355 974 HB2 PHE 124 1HB PHE 124 -7.933 -1.960 4.954 975 HB3 PHE 124 2HB PHE 124 -6.273 -2.235 5.472 976 HD1 PHE 124 1HD PHE 124 -4.426 -1.028 4.420 977 HD2 PHE 124 2HD PHE 124 -8.478 -0.249 3.377 978 HE1 PHE 124 1HE PHE 124 -3.743 1.084 3.359 979 HE2 PHE 124 2HE PHE 124 -7.802 1.864 2.314 980 HZ PHE 124 HZ PHE 124 -5.432 2.533 2.303 981 H ARG 125 H ARG 125 -5.334 -5.145 4.538 982 HA ARG 125 HA ARG 125 -7.287 -6.421 6.224 983 HB2 ARG 125 1HB ARG 125 -7.922 -7.326 4.033 984 HB3 ARG 125 2HB ARG 125 -6.269 -7.869 3.772 985 HG2 ARG 125 1HG ARG 125 -7.256 -9.807 4.469 986 HG3 ARG 125 2HG ARG 125 -6.666 -9.171 6.006 987 HD2 ARG 125 1HD ARG 125 -9.412 -8.472 5.059 988 HD3 ARG 125 2HD ARG 125 -9.116 -10.044 5.801 989 HE ARG 125 HE ARG 125 -9.235 -7.508 7.123 990 HH11 ARG 125 1HH1 ARG 125 -7.855 -10.702 7.244 991 HH12 ARG 125 2HH1 ARG 125 -7.631 -10.682 8.961 992 HH21 ARG 125 1HH2 ARG 125 -8.946 -7.470 9.385 993 HH22 ARG 125 2HH2 ARG 125 -8.253 -8.843 10.179 994 H ASP 126 H ASP 126 -6.342 -7.607 7.811 995 HA ASP 126 HA ASP 126 -3.680 -7.262 8.451 996 HB2 ASP 126 1HB ASP 126 -5.621 -8.103 9.919 997 HB3 ASP 126 2HB ASP 126 -5.215 -9.706 9.311 998 H ARG 127 H ARG 127 -5.199 -10.082 6.908 999 HA ARG 127 HA ARG 127 -2.910 -10.647 5.334 1000 HB2 ARG 127 1HB ARG 127 -2.518 -12.946 6.403 1001 HB3 ARG 127 2HB ARG 127 -1.846 -11.542 7.221 1002 HG2 ARG 127 1HG ARG 127 -3.706 -11.549 8.792 1003 HG3 ARG 127 2HG ARG 127 -4.410 -12.937 7.960 1004 HD2 ARG 127 1HD ARG 127 -3.287 -14.144 9.483 1005 HD3 ARG 127 2HD ARG 127 -1.893 -13.831 8.451 1006 HE ARG 127 HE ARG 127 -2.164 -11.713 10.268 1007 HH11 ARG 127 1HH1 ARG 127 -1.348 -15.097 10.214 1008 HH12 ARG 127 2HH1 ARG 127 -0.318 -15.004 11.604 1009 HH21 ARG 127 1HH2 ARG 127 -0.811 -11.578 12.099 1010 HH22 ARG 127 2HH2 ARG 127 -0.014 -13.003 12.676 1011 H LEU 128 H LEU 128 -3.177 -13.160 4.583 1012 HA LEU 128 HA LEU 128 -5.630 -13.195 3.159 1013 HB2 LEU 128 1HB LEU 128 -3.351 -14.202 2.521 1014 HB3 LEU 128 2HB LEU 128 -3.840 -15.577 3.509 1015 HG LEU 128 HG LEU 128 -5.988 -15.379 1.898 1016 HD11 LEU 128 1HD1 LEU 128 -4.034 -15.033 -0.221 1017 HD12 LEU 128 2HD1 LEU 128 -4.263 -13.570 0.736 1018 HD13 LEU 128 3HD1 LEU 128 -5.646 -14.340 -0.041 1019 HD21 LEU 128 3HD2 LEU 128 -4.615 -17.050 0.415 1020 HD22 LEU 128 1HD2 LEU 128 -5.050 -17.465 2.073 1021 HD23 LEU 128 2HD2 LEU 128 -3.424 -16.887 1.707 1022 H LEU 129 H LEU 129 -7.264 -13.161 4.748 1023 HA LEU 129 HA LEU 129 -8.227 -15.716 5.503 1024 HB2 LEU 129 1HB LEU 129 -6.667 -14.183 7.464 1025 HB3 LEU 129 2HB LEU 129 -8.231 -14.751 8.044 1026 HG LEU 129 HG LEU 129 -6.891 -16.912 6.744 1027 HD11 LEU 129 1HD1 LEU 129 -5.182 -15.170 8.402 1028 HD12 LEU 129 2HD1 LEU 129 -4.751 -16.301 7.120 1029 HD13 LEU 129 3HD1 LEU 129 -5.104 -16.899 8.741 1030 HD21 LEU 129 3HD2 LEU 129 -8.344 -17.640 8.315 1031 HD22 LEU 129 1HD2 LEU 129 -8.080 -16.248 9.364 1032 HD23 LEU 129 2HD2 LEU 129 -6.914 -17.571 9.345 1033 H SER 130 H SER 130 -8.478 -12.602 7.201 1034 HA SER 130 HA SER 130 -10.188 -11.102 7.385 1035 HB2 SER 130 1HB SER 130 -11.867 -12.424 5.312 1036 HB3 SER 130 2HB SER 130 -11.543 -10.711 5.575 1037 HG SER 130 HG SER 130 -10.332 -12.420 3.895 1038 H LEU 131 H LEU 131 -11.892 -14.060 6.363 1039 HA LEU 131 HA LEU 131 -13.343 -15.432 7.462 1040 HB2 LEU 131 1HB LEU 131 -12.785 -14.023 10.041 1041 HB3 LEU 131 2HB LEU 131 -13.206 -15.712 9.766 1042 HG LEU 131 HG LEU 131 -10.543 -14.373 9.339 1043 HD11 LEU 131 1HD1 LEU 131 -11.204 -16.822 10.947 1044 HD12 LEU 131 2HD1 LEU 131 -11.279 -15.196 11.624 1045 HD13 LEU 131 3HD1 LEU 131 -9.751 -15.825 11.009 1046 HD21 LEU 131 3HD2 LEU 131 -10.223 -15.771 7.630 1047 HD22 LEU 131 1HD2 LEU 131 -11.694 -16.677 7.987 1048 HD23 LEU 131 2HD2 LEU 131 -10.195 -17.059 8.836 1049 H ASP 132 H ASP 132 -13.547 -12.396 9.322 1050 HA ASP 132 HA ASP 132 -16.437 -12.398 8.975 1051 HB2 ASP 132 1HB ASP 132 -14.615 -11.422 10.958 1052 HB3 ASP 132 2HB ASP 132 -15.587 -10.077 10.366 1053 H GLU 133 H GLU 133 -13.983 -9.816 8.776 1054 HA GLU 133 HA GLU 133 -14.816 -9.062 6.133 1055 HB2 GLU 133 1HB GLU 133 -15.786 -7.582 8.527 1056 HB3 GLU 133 2HB GLU 133 -15.281 -6.635 7.135 1057 HG2 GLU 133 1HG GLU 133 -16.835 -8.203 5.798 1058 HG3 GLU 133 2HG GLU 133 -17.531 -8.584 7.372 1059 HA PRO 134 HA PRO 134 -10.788 -7.334 5.960 1060 HB2 PRO 134 1HB PRO 134 -11.131 -5.211 4.304 1061 HB3 PRO 134 2HB PRO 134 -11.178 -6.886 3.741 1062 HG2 PRO 134 1HG PRO 134 -13.445 -5.036 4.378 1063 HG3 PRO 134 2HG PRO 134 -13.262 -6.154 3.013 1064 HD2 PRO 134 1HD PRO 134 -14.769 -6.740 5.185 1065 HD3 PRO 134 2HD PRO 134 -13.898 -7.983 4.263 1066 H ILE 135 H ILE 135 -9.548 -5.212 6.173 1067 HA ILE 135 HA ILE 135 -10.407 -3.922 8.599 1068 HB ILE 135 HB ILE 135 -7.968 -3.442 6.885 1069 HG12 ILE 135 1HG1 ILE 135 -8.093 -5.685 7.932 1070 HG13 ILE 135 2HG1 ILE 135 -6.774 -4.716 8.579 1071 HG21 ILE 135 1HG2 ILE 135 -8.509 -1.457 8.162 1072 HG22 ILE 135 2HG2 ILE 135 -8.647 -2.415 9.636 1073 HG23 ILE 135 3HG2 ILE 135 -7.082 -2.240 8.842 1074 HD11 ILE 135 3HD1 ILE 135 -7.856 -5.890 10.365 1075 HD12 ILE 135 1HD1 ILE 135 -8.190 -4.166 10.524 1076 HD13 ILE 135 2HD1 ILE 135 -9.428 -5.249 9.887 1077 H ALA 136 H ALA 136 -10.203 -3.111 5.199 1078 HA ALA 136 HA ALA 136 -12.043 -0.973 5.452 1079 HB1 ALA 136 1HB ALA 136 -9.137 -0.285 5.319 1080 HB2 ALA 136 2HB ALA 136 -10.336 0.773 4.574 1081 HB3 ALA 136 3HB ALA 136 -10.414 0.431 6.302 1082 H SER 137 H SER 137 -12.254 0.252 3.340 1083 HA SER 137 HA SER 137 -11.077 -0.617 0.960 1084 HB2 SER 137 1HB SER 137 -13.048 -1.930 0.044 1085 HB3 SER 137 2HB SER 137 -12.077 -2.763 1.257 1086 HG SER 137 HG SER 137 -14.580 -2.589 1.375 1087 H GLU 138 H GLU 138 -11.593 0.763 -0.644 1088 HA GLU 138 HA GLU 138 -14.112 1.963 -1.020 1089 HB2 GLU 138 1HB GLU 138 -13.253 3.117 1.106 1090 HB3 GLU 138 2HB GLU 138 -12.086 3.911 0.058 1091 HG2 GLU 138 1HG GLU 138 -13.624 5.487 -0.211 1092 HG3 GLU 138 2HG GLU 138 -14.458 4.335 -1.251 1093 H GLU 139 H GLU 139 -14.236 2.941 -2.991 1094 HA GLU 139 HA GLU 139 -11.902 2.719 -4.686 1095 HB2 GLU 139 1HB GLU 139 -14.762 2.754 -5.050 1096 HB3 GLU 139 2HB GLU 139 -14.001 3.916 -6.128 1097 HG2 GLU 139 1HG GLU 139 -13.393 2.291 -7.492 1098 HG3 GLU 139 2HG GLU 139 -12.497 1.504 -6.194 1099 H ILE 140 H ILE 140 -10.486 4.309 -4.889 1100 HA ILE 140 HA ILE 140 -11.464 7.084 -4.864 1101 HB ILE 140 HB ILE 140 -8.903 6.141 -3.570 1102 HG12 ILE 140 1HG1 ILE 140 -11.475 7.151 -2.336 1103 HG13 ILE 140 2HG1 ILE 140 -10.874 5.498 -2.263 1104 HG21 ILE 140 1HG2 ILE 140 -8.718 8.365 -4.552 1105 HG22 ILE 140 2HG2 ILE 140 -10.164 8.878 -3.683 1106 HG23 ILE 140 3HG2 ILE 140 -8.704 8.451 -2.791 1107 HD11 ILE 140 3HD1 ILE 140 -10.172 7.825 -0.660 1108 HD12 ILE 140 1HD1 ILE 140 -10.015 6.105 -0.302 1109 HD13 ILE 140 2HD1 ILE 140 -8.776 6.925 -1.253 1110 H THR 141 H THR 141 -11.020 8.049 -6.721 1111 HA THR 141 HA THR 141 -8.971 6.962 -8.478 1112 HB THR 141 HB THR 141 -11.051 7.454 -9.558 1113 HG1 THR 141 1HG THR 141 -9.479 9.668 -10.324 1114 HG21 THR 141 3HG2 THR 141 -12.378 9.093 -8.846 1115 HG22 THR 141 1HG2 THR 141 -11.220 10.285 -9.435 1116 HG23 THR 141 2HG2 THR 141 -11.100 9.680 -7.782 1117 H ILE 142 H ILE 142 -6.954 7.661 -8.249 1118 HA ILE 142 HA ILE 142 -6.465 10.377 -7.272 1119 HB ILE 142 HB ILE 142 -4.514 8.106 -7.670 1120 HG12 ILE 142 1HG1 ILE 142 -5.748 9.190 -5.128 1121 HG13 ILE 142 2HG1 ILE 142 -6.192 7.673 -5.903 1122 HG21 ILE 142 1HG2 ILE 142 -2.926 9.638 -7.439 1123 HG22 ILE 142 2HG2 ILE 142 -4.132 10.906 -7.228 1124 HG23 ILE 142 3HG2 ILE 142 -3.550 10.001 -5.830 1125 HD11 ILE 142 3HD1 ILE 142 -3.895 6.861 -5.552 1126 HD12 ILE 142 1HD1 ILE 142 -3.523 8.358 -4.699 1127 HD13 ILE 142 2HD1 ILE 142 -4.728 7.248 -4.047 1128 H THR 143 H THR 143 -5.577 11.946 -8.486 1129 HA THR 143 HA THR 143 -4.023 11.481 -10.817 1130 HB THR 143 HB THR 143 -5.965 12.893 -12.136 1131 HG1 THR 143 1HG THR 143 -7.831 12.446 -11.264 1132 HG21 THR 143 3HG2 THR 143 -4.552 10.664 -12.591 1133 HG22 THR 143 1HG2 THR 143 -5.913 11.152 -13.598 1134 HG23 THR 143 2HG2 THR 143 -6.140 9.943 -12.335 Start of MODEL 3 1 H1 MET 1 H MET 1 -24.100 -18.891 13.621 2 HA MET 1 HA MET 1 -24.675 -16.057 13.128 3 HB2 MET 1 1HB MET 1 -25.873 -17.819 15.223 4 HB3 MET 1 2HB MET 1 -25.551 -16.135 15.617 5 HG2 MET 1 1HG MET 1 -27.676 -15.929 14.869 6 HG3 MET 1 2HG MET 1 -26.824 -15.733 13.339 7 HE1 MET 1 3HE MET 1 -28.870 -16.777 11.535 8 HE2 MET 1 1HE MET 1 -30.103 -17.626 12.469 9 HE3 MET 1 2HE MET 1 -29.491 -16.069 13.027 10 H ASP 2 H ASP 2 -22.199 -16.556 12.955 11 HA ASP 2 HA ASP 2 -21.029 -15.587 15.425 12 HB2 ASP 2 1HB ASP 2 -19.212 -17.320 15.350 13 HB3 ASP 2 2HB ASP 2 -20.795 -17.943 15.806 14 H GLU 3 H GLU 3 -20.232 -13.751 14.585 15 HA GLU 3 HA GLU 3 -17.971 -13.876 12.849 16 HB2 GLU 3 1HB GLU 3 -20.622 -13.228 11.726 17 HB3 GLU 3 2HB GLU 3 -19.335 -12.109 11.300 18 HG2 GLU 3 1HG GLU 3 -18.019 -14.267 10.701 19 HG3 GLU 3 2HG GLU 3 -19.620 -15.003 10.642 20 H VAL 4 H VAL 4 -16.639 -12.303 13.452 21 HA VAL 4 HA VAL 4 -17.160 -10.475 15.451 22 HB VAL 4 HB VAL 4 -15.129 -9.290 14.759 23 HG11 VAL 4 1HG1 VAL 4 -14.947 -11.380 16.028 24 HG12 VAL 4 2HG1 VAL 4 -14.856 -12.285 14.515 25 HG13 VAL 4 3HG1 VAL 4 -13.574 -11.152 14.946 26 HG21 VAL 4 3HG2 VAL 4 -15.086 -11.112 12.358 27 HG22 VAL 4 1HG2 VAL 4 -15.594 -9.423 12.311 28 HG23 VAL 4 2HG2 VAL 4 -13.937 -9.834 12.755 29 H LEU 5 H LEU 5 -16.944 -8.031 15.210 30 HA LEU 5 HA LEU 5 -18.713 -7.129 13.033 31 HB2 LEU 5 1HB LEU 5 -18.405 -5.999 15.811 32 HB3 LEU 5 2HB LEU 5 -19.458 -5.354 14.554 33 HG LEU 5 HG LEU 5 -19.946 -8.172 15.199 34 HD11 LEU 5 1HD1 LEU 5 -20.116 -6.044 17.294 35 HD12 LEU 5 2HD1 LEU 5 -19.537 -7.704 17.429 36 HD13 LEU 5 3HD1 LEU 5 -21.265 -7.383 17.277 37 HD21 LEU 5 3HD2 LEU 5 -21.275 -6.079 13.979 38 HD22 LEU 5 1HD2 LEU 5 -22.107 -6.261 15.523 39 HD23 LEU 5 2HD2 LEU 5 -21.968 -7.638 14.429 40 H ALA 6 H ALA 6 -17.717 -5.925 11.571 41 HA ALA 6 HA ALA 6 -16.262 -4.493 10.563 42 HB1 ALA 6 1HB ALA 6 -16.100 -3.149 13.254 43 HB2 ALA 6 2HB ALA 6 -15.804 -2.428 11.672 44 HB3 ALA 6 3HB ALA 6 -17.433 -2.931 12.120 45 H THR 7 H THR 7 -15.249 -6.874 12.115 46 HA THR 7 HA THR 7 -13.271 -7.827 12.735 47 HB THR 7 HB THR 7 -11.366 -6.209 11.400 48 HG1 THR 7 1HG THR 7 -12.453 -6.259 9.276 49 HG21 THR 7 3HG2 THR 7 -11.750 -8.793 11.643 50 HG22 THR 7 1HG2 THR 7 -10.918 -8.146 10.230 51 HG23 THR 7 2HG2 THR 7 -12.619 -8.600 10.122 52 H SER 8 H SER 8 -13.273 -7.226 14.916 53 HA SER 8 HA SER 8 -12.183 -4.716 15.780 54 HB2 SER 8 1HB SER 8 -12.739 -7.211 17.403 55 HB3 SER 8 2HB SER 8 -12.476 -5.587 18.038 56 HG SER 8 HG SER 8 -14.609 -6.389 16.343 57 H ILE 9 H ILE 9 -10.129 -4.821 14.678 58 HA ILE 9 HA ILE 9 -8.132 -6.270 16.265 59 HB ILE 9 HB ILE 9 -8.138 -6.146 13.247 60 HG12 ILE 9 1HG1 ILE 9 -7.942 -8.795 14.162 61 HG13 ILE 9 2HG1 ILE 9 -9.208 -8.054 15.135 62 HG21 ILE 9 1HG2 ILE 9 -6.129 -7.631 13.490 63 HG22 ILE 9 2HG2 ILE 9 -5.891 -5.959 13.995 64 HG23 ILE 9 3HG2 ILE 9 -6.122 -7.221 15.205 65 HD11 ILE 9 3HD1 ILE 9 -9.555 -9.171 12.681 66 HD12 ILE 9 1HD1 ILE 9 -10.638 -7.996 13.427 67 HD13 ILE 9 2HD1 ILE 9 -9.405 -7.459 12.285 68 H GLY 10 H GLY 10 -8.000 -4.207 13.362 69 HA2 GLY 10 1HA GLY 10 -6.211 -2.405 14.868 70 HA3 GLY 10 2HA GLY 10 -6.134 -2.660 13.131 71 H THR 11 H THR 11 -6.330 -0.468 12.660 72 HA THR 11 HA THR 11 -9.027 0.488 12.497 73 HB THR 11 HB THR 11 -7.797 2.719 13.677 74 HG1 THR 11 1HG THR 11 -7.638 0.578 15.515 75 HG21 THR 11 3HG2 THR 11 -9.480 1.739 15.605 76 HG22 THR 11 1HG2 THR 11 -10.080 0.948 14.147 77 HG23 THR 11 2HG2 THR 11 -9.978 2.708 14.218 78 H TYR 12 H TYR 12 -9.216 2.426 11.215 79 HA TYR 12 HA TYR 12 -6.789 3.341 9.875 80 HB2 TYR 12 1HB TYR 12 -7.504 1.535 8.445 81 HB3 TYR 12 2HB TYR 12 -9.160 2.131 8.442 82 HD1 TYR 12 2HD TYR 12 -5.712 3.255 7.542 83 HD2 TYR 12 1HD TYR 12 -9.868 3.398 6.643 84 HE1 TYR 12 2HE TYR 12 -5.224 4.578 5.527 85 HE2 TYR 12 1HE TYR 12 -9.391 4.721 4.625 86 HH TYR 12 HH TYR 12 -7.826 5.835 3.480 87 H GLU 13 H GLU 13 -6.934 5.427 10.480 88 HA GLU 13 HA GLU 13 -8.771 7.143 9.216 89 HB2 GLU 13 1HB GLU 13 -10.057 7.947 11.115 90 HB3 GLU 13 2HB GLU 13 -10.330 6.225 10.887 91 HG2 GLU 13 1HG GLU 13 -8.618 5.817 12.674 92 HG3 GLU 13 2HG GLU 13 -8.636 7.552 12.983 93 H ASN 14 H ASN 14 -8.586 9.434 10.110 94 HA ASN 14 HA ASN 14 -7.218 11.217 10.477 95 HB2 ASN 14 1HB ASN 14 -5.880 9.585 12.624 96 HB3 ASN 14 2HB ASN 14 -6.191 11.318 12.596 97 HD21 ASN 14 1HD2 ASN 14 -6.894 9.174 14.531 98 HD22 ASN 14 2HD2 ASN 14 -8.602 9.315 14.752 99 H ARG 15 H ARG 15 -6.335 9.305 8.521 100 HA ARG 15 HA ARG 15 -4.532 8.848 7.211 101 HB2 ARG 15 1HB ARG 15 -3.703 11.320 8.666 102 HB3 ARG 15 2HB ARG 15 -2.497 10.464 7.714 103 HG2 ARG 15 1HG ARG 15 -3.591 12.294 6.480 104 HG3 ARG 15 2HG ARG 15 -3.816 10.717 5.720 105 HD2 ARG 15 1HD ARG 15 -5.891 11.983 5.696 106 HD3 ARG 15 2HD ARG 15 -6.045 10.559 6.724 107 HE ARG 15 HE ARG 15 -5.279 12.701 8.337 108 HH11 ARG 15 1HH1 ARG 15 -7.993 11.709 6.395 109 HH12 ARG 15 2HH1 ARG 15 -9.158 12.558 7.357 110 HH21 ARG 15 1HH2 ARG 15 -6.803 13.822 9.611 111 HH22 ARG 15 2HH2 ARG 15 -8.480 13.760 9.185 112 H THR 16 H THR 16 -4.790 7.108 9.247 113 HA THR 16 HA THR 16 -2.089 6.209 9.626 114 HB THR 16 HB THR 16 -3.705 6.814 12.108 115 HG1 THR 16 1HG THR 16 -2.542 8.613 12.306 116 HG21 THR 16 3HG2 THR 16 -2.054 4.835 12.030 117 HG22 THR 16 1HG2 THR 16 -1.904 5.992 13.352 118 HG23 THR 16 2HG2 THR 16 -0.798 6.073 11.980 119 H LEU 17 H LEU 17 -2.002 4.032 9.775 120 HA LEU 17 HA LEU 17 -4.529 2.602 10.275 121 HB2 LEU 17 1HB LEU 17 -3.337 2.716 7.869 122 HB3 LEU 17 2HB LEU 17 -2.498 1.324 8.551 123 HG LEU 17 HG LEU 17 -5.488 1.425 8.578 124 HD11 LEU 17 1HD1 LEU 17 -4.363 1.889 6.243 125 HD12 LEU 17 2HD1 LEU 17 -5.727 0.784 6.400 126 HD13 LEU 17 3HD1 LEU 17 -4.087 0.148 6.288 127 HD21 LEU 17 3HD2 LEU 17 -4.943 -0.463 9.684 128 HD22 LEU 17 1HD2 LEU 17 -3.342 -0.562 8.949 129 HD23 LEU 17 2HD2 LEU 17 -4.759 -1.113 8.055 130 H LEU 18 H LEU 18 -4.112 2.076 12.392 131 HA LEU 18 HA LEU 18 -1.611 1.026 13.275 132 HB2 LEU 18 1HB LEU 18 -3.737 2.125 14.524 133 HB3 LEU 18 2HB LEU 18 -4.033 0.416 14.841 134 HG LEU 18 HG LEU 18 -1.623 2.034 15.656 135 HD11 LEU 18 1HD1 LEU 18 -4.023 0.954 17.041 136 HD12 LEU 18 2HD1 LEU 18 -3.187 2.491 17.258 137 HD13 LEU 18 3HD1 LEU 18 -2.493 1.009 17.916 138 HD21 LEU 18 3HD2 LEU 18 -2.056 -0.892 15.457 139 HD22 LEU 18 1HD2 LEU 18 -1.235 -0.285 16.895 140 HD23 LEU 18 2HD2 LEU 18 -0.573 0.051 15.295 141 H VAL 19 H VAL 19 -0.870 -0.987 13.157 142 HA VAL 19 HA VAL 19 -2.788 -3.188 12.793 143 HB VAL 19 HB VAL 19 -1.014 -4.270 11.314 144 HG11 VAL 19 1HG1 VAL 19 -2.442 -3.758 9.693 145 HG12 VAL 19 2HG1 VAL 19 -3.135 -2.515 10.736 146 HG13 VAL 19 3HG1 VAL 19 -1.828 -2.107 9.625 147 HG21 VAL 19 3HG2 VAL 19 0.376 -2.569 10.060 148 HG22 VAL 19 1HG2 VAL 19 -0.014 -1.432 11.351 149 HG23 VAL 19 2HG2 VAL 19 0.881 -2.908 11.715 150 HA PRO 20 HA PRO 20 -0.602 -5.281 15.973 151 HB2 PRO 20 1HB PRO 20 -0.898 -7.867 15.202 152 HB3 PRO 20 2HB PRO 20 -2.226 -6.902 15.858 153 HG2 PRO 20 1HG PRO 20 -1.575 -7.536 13.006 154 HG3 PRO 20 2HG PRO 20 -3.151 -7.530 13.819 155 HD2 PRO 20 1HD PRO 20 -2.311 -5.486 12.254 156 HD3 PRO 20 2HD PRO 20 -3.364 -5.241 13.662 157 H ASP 21 H ASP 21 0.472 -5.312 12.760 158 HA ASP 21 HA ASP 21 3.035 -6.514 13.583 159 HB2 ASP 21 1HB ASP 21 1.430 -6.862 11.090 160 HB3 ASP 21 2HB ASP 21 3.187 -6.894 10.963 161 H GLY 22 H GLY 22 2.129 -3.710 13.687 162 HA2 GLY 22 1HA GLY 22 4.236 -2.209 13.274 163 HA3 GLY 22 2HA GLY 22 3.758 -2.451 11.600 164 H ARG 23 H ARG 23 3.243 -0.346 11.141 165 HA ARG 23 HA ARG 23 0.646 0.535 11.796 166 HB2 ARG 23 1HB ARG 23 0.915 2.097 13.424 167 HB3 ARG 23 2HB ARG 23 2.257 1.055 13.876 168 HG2 ARG 23 1HG ARG 23 3.782 2.493 12.591 169 HG3 ARG 23 2HG ARG 23 2.425 3.556 12.209 170 HD2 ARG 23 1HD ARG 23 2.147 3.527 14.844 171 HD3 ARG 23 2HD ARG 23 3.869 3.152 14.774 172 HE ARG 23 HE ARG 23 3.073 5.422 13.183 173 HH11 ARG 23 1HH1 ARG 23 4.154 4.315 16.302 174 HH12 ARG 23 2HH1 ARG 23 4.791 5.855 16.774 175 HH21 ARG 23 1HH2 ARG 23 3.908 7.455 13.792 176 HH22 ARG 23 2HH2 ARG 23 4.650 7.641 15.345 177 H LEU 24 H LEU 24 -0.039 2.086 10.388 178 HA LEU 24 HA LEU 24 1.988 3.142 8.530 179 HB2 LEU 24 1HB LEU 24 -0.901 2.420 8.096 180 HB3 LEU 24 2HB LEU 24 0.052 3.334 6.929 181 HG LEU 24 HG LEU 24 1.587 1.084 7.392 182 HD11 LEU 24 1HD1 LEU 24 0.319 -0.769 7.642 183 HD12 LEU 24 2HD1 LEU 24 -1.069 -0.069 6.809 184 HD13 LEU 24 3HD1 LEU 24 -0.743 0.356 8.489 185 HD21 LEU 24 3HD2 LEU 24 0.893 0.449 5.130 186 HD22 LEU 24 1HD2 LEU 24 1.223 2.177 5.248 187 HD23 LEU 24 2HD2 LEU 24 -0.443 1.598 5.219 188 H ALA 25 H ALA 25 1.429 5.240 7.513 189 HA ALA 25 HA ALA 25 -0.443 6.953 8.874 190 HB1 ALA 25 1HB ALA 25 0.926 8.224 10.139 191 HB2 ALA 25 2HB ALA 25 1.917 6.765 10.147 192 HB3 ALA 25 3HB ALA 25 2.281 8.071 9.020 193 H LEU 26 H LEU 26 -1.356 7.633 7.014 194 HA LEU 26 HA LEU 26 0.045 8.158 4.619 195 HB2 LEU 26 1HB LEU 26 -2.662 9.118 5.534 196 HB3 LEU 26 2HB LEU 26 -2.048 9.245 3.887 197 HG LEU 26 HG LEU 26 -2.020 6.518 4.944 198 HD11 LEU 26 1HD1 LEU 26 -4.472 6.235 4.681 199 HD12 LEU 26 2HD1 LEU 26 -4.630 7.991 4.634 200 HD13 LEU 26 3HD1 LEU 26 -4.016 7.200 6.086 201 HD21 LEU 26 3HD2 LEU 26 -1.714 6.464 2.711 202 HD22 LEU 26 1HD2 LEU 26 -2.580 7.977 2.445 203 HD23 LEU 26 2HD2 LEU 26 -3.478 6.477 2.680 204 H THR 27 H THR 27 1.636 9.639 4.644 205 HA THR 27 HA THR 27 1.429 12.099 6.117 206 HB THR 27 HB THR 27 3.611 12.654 5.111 207 HG1 THR 27 1HG THR 27 4.559 11.221 3.657 208 HG21 THR 27 3HG2 THR 27 4.853 10.602 5.973 209 HG22 THR 27 1HG2 THR 27 3.264 9.915 6.309 210 HG23 THR 27 2HG2 THR 27 3.767 11.406 7.107 211 H ALA 28 H ALA 28 1.786 11.356 2.643 212 HA ALA 28 HA ALA 28 -0.218 13.081 1.758 213 HB1 ALA 28 1HB ALA 28 2.209 14.486 0.960 214 HB2 ALA 28 2HB ALA 28 0.671 15.120 1.547 215 HB3 ALA 28 3HB ALA 28 1.890 14.565 2.693 216 H LEU 29 H LEU 29 -0.655 11.576 0.219 217 HA LEU 29 HA LEU 29 1.195 10.187 -1.339 218 HB2 LEU 29 1HB LEU 29 -1.582 10.969 -2.201 219 HB3 LEU 29 2HB LEU 29 -0.638 9.587 -2.755 220 HG LEU 29 HG LEU 29 -1.310 9.741 0.138 221 HD11 LEU 29 1HD1 LEU 29 -3.441 10.291 -0.710 222 HD12 LEU 29 2HD1 LEU 29 -3.474 8.554 -0.407 223 HD13 LEU 29 3HD1 LEU 29 -3.285 9.158 -2.053 224 HD21 LEU 29 3HD2 LEU 29 -1.509 7.299 -0.191 225 HD22 LEU 29 1HD2 LEU 29 0.069 7.930 -0.662 226 HD23 LEU 29 2HD2 LEU 29 -1.122 7.522 -1.898 227 H HIS 30 H HIS 30 2.119 10.531 -3.320 228 HA HIS 30 HA HIS 30 1.595 13.095 -4.650 229 HB2 HIS 30 1HB HIS 30 4.354 11.991 -4.078 230 HB3 HIS 30 2HB HIS 30 3.994 13.465 -4.973 231 HD1 HIS 30 1HD HIS 30 2.024 14.852 -3.154 232 HD2 HIS 30 2HD HIS 30 5.403 12.885 -1.750 233 HE1 HIS 30 1HE HIS 30 2.509 15.871 -0.907 234 H LYS 31 H LYS 31 1.767 13.078 -6.864 235 HA LYS 31 HA LYS 31 2.051 10.420 -8.079 236 HB2 LYS 31 1HB LYS 31 0.783 11.304 -9.954 237 HB3 LYS 31 2HB LYS 31 -0.084 11.597 -8.452 238 HG2 LYS 31 1HG LYS 31 0.538 13.901 -8.460 239 HG3 LYS 31 2HG LYS 31 1.635 13.653 -9.820 240 HD2 LYS 31 1HD LYS 31 -1.353 13.245 -9.921 241 HD3 LYS 31 2HD LYS 31 -0.516 14.697 -10.474 242 HE2 LYS 31 1HE LYS 31 0.851 13.070 -11.940 243 HE3 LYS 31 2HE LYS 31 -0.450 11.926 -11.615 244 HZ1 LYS 31 3HZ LYS 31 -0.434 13.744 -13.613 245 HZ2 LYS 31 1HZ LYS 31 -1.376 14.521 -12.441 246 HZ3 LYS 31 2HZ LYS 31 -1.817 12.987 -13.001 247 H GLY 32 H GLY 32 3.555 9.990 -9.615 248 HA2 GLY 32 1HA GLY 32 5.297 12.230 -10.439 249 HA3 GLY 32 2HA GLY 32 5.945 10.663 -9.975 250 H LYS 33 H LYS 33 6.923 10.186 -11.906 251 HA LYS 33 HA LYS 33 5.088 9.609 -14.128 252 HB2 LYS 33 1HB LYS 33 6.512 10.543 -15.739 253 HB3 LYS 33 2HB LYS 33 6.509 11.726 -14.437 254 HG2 LYS 33 1HG LYS 33 8.644 10.824 -13.631 255 HG3 LYS 33 2HG LYS 33 8.650 9.675 -14.971 256 HD2 LYS 33 1HD LYS 33 10.019 11.449 -15.682 257 HD3 LYS 33 2HD LYS 33 8.475 11.710 -16.498 258 HE2 LYS 33 1HE LYS 33 7.883 13.457 -15.038 259 HE3 LYS 33 2HE LYS 33 9.134 13.021 -13.876 260 HZ1 LYS 33 3HZ LYS 33 10.119 13.685 -16.509 261 HZ2 LYS 33 1HZ LYS 33 10.677 14.173 -14.988 262 HZ3 LYS 33 2HZ LYS 33 9.368 14.970 -15.704 263 H ASP 34 H ASP 34 5.800 7.924 -15.561 264 HA ASP 34 HA ASP 34 7.865 6.169 -14.407 265 HB2 ASP 34 1HB ASP 34 6.531 4.255 -14.671 266 HB3 ASP 34 2HB ASP 34 5.421 5.456 -14.017 267 H TYR 35 H TYR 35 7.535 4.157 -16.414 268 HA TYR 35 HA TYR 35 9.353 4.988 -18.327 269 HB2 TYR 35 1HB TYR 35 8.443 3.000 -19.672 270 HB3 TYR 35 2HB TYR 35 9.090 2.664 -18.069 271 HD1 TYR 35 1HD TYR 35 5.956 3.097 -19.992 272 HD2 TYR 35 2HD TYR 35 7.729 1.722 -16.377 273 HE1 TYR 35 1HE TYR 35 3.836 2.016 -19.371 274 HE2 TYR 35 2HE TYR 35 5.614 0.636 -15.746 275 HH TYR 35 HH TYR 35 3.271 -0.116 -17.725 276 H GLN 36 H GLN 36 5.844 5.139 -18.364 277 HA GLN 36 HA GLN 36 5.854 6.215 -21.079 278 HB2 GLN 36 1HB GLN 36 3.864 4.946 -19.325 279 HB3 GLN 36 2HB GLN 36 3.244 6.290 -20.275 280 HG2 GLN 36 1HG GLN 36 4.683 4.863 -22.121 281 HG3 GLN 36 2HG GLN 36 3.997 3.602 -21.097 282 HE21 GLN 36 1HE2 GLN 36 1.590 4.335 -20.455 283 HE22 GLN 36 2HE2 GLN 36 0.600 4.661 -21.832 284 H GLY 37 H GLY 37 6.846 7.625 -18.580 285 HA2 GLY 37 1HA GLY 37 6.531 9.649 -17.466 286 HA3 GLY 37 2HA GLY 37 6.498 10.207 -19.132 287 H LYS 38 H LYS 38 4.150 8.382 -17.176 288 HA LYS 38 HA LYS 38 2.342 10.568 -16.941 289 HB2 LYS 38 1HB LYS 38 2.157 8.865 -19.305 290 HB3 LYS 38 2HB LYS 38 0.662 8.901 -18.378 291 HG2 LYS 38 1HG LYS 38 0.301 11.123 -18.779 292 HG3 LYS 38 2HG LYS 38 2.017 11.477 -18.991 293 HD2 LYS 38 1HD LYS 38 0.334 9.894 -20.933 294 HD3 LYS 38 2HD LYS 38 0.714 11.610 -21.099 295 HE2 LYS 38 1HE LYS 38 3.181 10.794 -20.873 296 HE3 LYS 38 2HE LYS 38 2.510 9.233 -21.343 297 HZ1 LYS 38 3HZ LYS 38 3.350 10.626 -23.213 298 HZ2 LYS 38 1HZ LYS 38 2.096 11.719 -22.904 299 HZ3 LYS 38 2HZ LYS 38 1.740 10.135 -23.378 300 HA PRO 39 HA PRO 39 0.146 6.637 -15.262 301 HB2 PRO 39 1HB PRO 39 1.166 4.211 -15.930 302 HB3 PRO 39 2HB PRO 39 -0.037 5.051 -16.915 303 HG2 PRO 39 1HG PRO 39 2.931 4.894 -17.274 304 HG3 PRO 39 2HG PRO 39 1.648 4.762 -18.491 305 HD2 PRO 39 1HD PRO 39 3.066 7.037 -18.110 306 HD3 PRO 39 2HD PRO 39 1.367 7.046 -18.625 307 H MET 40 H MET 40 1.272 7.585 -13.435 308 HA MET 40 HA MET 40 2.940 5.634 -12.094 309 HB2 MET 40 1HB MET 40 4.536 7.091 -13.350 310 HB3 MET 40 2HB MET 40 3.932 8.468 -12.438 311 HG2 MET 40 1HG MET 40 5.995 7.693 -11.480 312 HG3 MET 40 2HG MET 40 4.668 7.397 -10.359 313 HE1 MET 40 3HE MET 40 4.438 4.485 -9.322 314 HE2 MET 40 1HE MET 40 6.190 4.465 -9.115 315 HE3 MET 40 2HE MET 40 5.299 5.977 -8.940 316 H PHE 41 H PHE 41 3.032 5.926 -9.826 317 HA PHE 41 HA PHE 41 1.783 8.151 -8.544 318 HB2 PHE 41 1HB PHE 41 -0.307 7.260 -9.074 319 HB3 PHE 41 2HB PHE 41 0.251 5.598 -8.911 320 HD1 PHE 41 1HD PHE 41 0.127 8.620 -6.717 321 HD2 PHE 41 2HD PHE 41 -0.702 4.470 -7.168 322 HE1 PHE 41 1HE PHE 41 -0.762 8.552 -4.424 323 HE2 PHE 41 2HE PHE 41 -1.593 4.395 -4.876 324 HZ PHE 41 HZ PHE 41 -1.624 6.438 -3.501 325 H TYR 42 H TYR 42 2.372 8.286 -6.436 326 HA TYR 42 HA TYR 42 3.786 5.963 -5.298 327 HB2 TYR 42 1HB TYR 42 4.426 8.901 -4.966 328 HB3 TYR 42 2HB TYR 42 5.231 7.594 -4.104 329 HD1 TYR 42 1HD TYR 42 6.263 5.723 -5.661 330 HD2 TYR 42 2HD TYR 42 5.392 9.696 -6.908 331 HE1 TYR 42 1HE TYR 42 7.872 5.490 -7.508 332 HE2 TYR 42 2HE TYR 42 6.997 9.474 -8.759 333 HH TYR 42 HH TYR 42 9.175 6.807 -8.991 334 H VAL 43 H VAL 43 3.304 5.362 -3.250 335 HA VAL 43 HA VAL 43 1.099 6.794 -1.946 336 HB VAL 43 HB VAL 43 2.107 4.047 -1.230 337 HG11 VAL 43 1HG1 VAL 43 0.506 5.576 0.211 338 HG12 VAL 43 2HG1 VAL 43 -0.707 4.949 -0.907 339 HG13 VAL 43 3HG1 VAL 43 0.246 3.837 0.077 340 HG21 VAL 43 3HG2 VAL 43 -0.276 3.762 -2.646 341 HG22 VAL 43 1HG2 VAL 43 0.694 4.882 -3.603 342 HG23 VAL 43 2HG2 VAL 43 1.338 3.296 -3.180 343 H LEU 44 H LEU 44 2.240 8.421 -0.894 344 HA LEU 44 HA LEU 44 4.531 7.913 0.722 345 HB2 LEU 44 1HB LEU 44 2.666 10.229 0.378 346 HB3 LEU 44 2HB LEU 44 3.868 10.233 1.668 347 HG LEU 44 HG LEU 44 4.647 11.485 -0.268 348 HD11 LEU 44 1HD1 LEU 44 6.186 10.070 1.184 349 HD12 LEU 44 2HD1 LEU 44 6.804 10.574 -0.389 350 HD13 LEU 44 3HD1 LEU 44 6.216 8.927 -0.160 351 HD21 LEU 44 3HD2 LEU 44 4.680 10.719 -2.408 352 HD22 LEU 44 1HD2 LEU 44 3.302 9.792 -1.814 353 HD23 LEU 44 2HD2 LEU 44 4.892 9.036 -1.923 354 H PHE 45 H PHE 45 4.209 6.426 2.303 355 HA PHE 45 HA PHE 45 2.283 7.155 4.400 356 HB2 PHE 45 1HB PHE 45 1.787 4.765 4.759 357 HB3 PHE 45 2HB PHE 45 1.318 5.296 3.147 358 HD1 PHE 45 2HD PHE 45 4.091 3.629 4.979 359 HD2 PHE 45 1HD PHE 45 2.025 4.113 1.289 360 HE1 PHE 45 2HE PHE 45 5.426 1.811 3.996 361 HE2 PHE 45 1HE PHE 45 3.355 2.295 0.301 362 HZ PHE 45 HZ PHE 45 5.060 1.142 1.655 363 H GLU 46 H GLU 46 2.849 6.472 6.530 364 HA GLU 46 HA GLU 46 5.747 6.160 6.864 365 HB2 GLU 46 1HB GLU 46 4.231 8.037 7.954 366 HB3 GLU 46 2HB GLU 46 3.930 6.782 9.149 367 HG2 GLU 46 1HG GLU 46 6.680 6.758 8.810 368 HG3 GLU 46 2HG GLU 46 6.246 8.466 8.777 369 H LEU 47 H LEU 47 5.581 3.864 6.369 370 HA LEU 47 HA LEU 47 4.142 2.149 8.179 371 HB2 LEU 47 1HB LEU 47 4.429 1.509 5.856 372 HB3 LEU 47 2HB LEU 47 6.181 1.538 6.044 373 HG LEU 47 HG LEU 47 4.938 -0.732 6.025 374 HD11 LEU 47 1HD1 LEU 47 6.714 -0.531 8.389 375 HD12 LEU 47 2HD1 LEU 47 7.361 -0.013 6.833 376 HD13 LEU 47 3HD1 LEU 47 6.752 -1.656 7.032 377 HD21 LEU 47 3HD2 LEU 47 3.858 -1.450 7.916 378 HD22 LEU 47 1HD2 LEU 47 3.383 0.248 7.899 379 HD23 LEU 47 2HD2 LEU 47 4.683 -0.293 8.962 380 H THR 48 H THR 48 4.827 1.683 10.151 381 HA THR 48 HA THR 48 7.707 1.797 10.724 382 HB THR 48 HB THR 48 5.562 1.651 12.826 383 HG1 THR 48 1HG THR 48 5.621 3.965 12.821 384 HG21 THR 48 3HG2 THR 48 7.629 1.381 13.836 385 HG22 THR 48 1HG2 THR 48 7.394 3.124 13.953 386 HG23 THR 48 2HG2 THR 48 8.441 2.458 12.700 387 H ASN 49 H ASN 49 8.808 0.017 11.276 388 HA ASN 49 HA ASN 49 7.415 -2.528 11.259 389 HB2 ASN 49 1HB ASN 49 9.641 -2.011 10.067 390 HB3 ASN 49 2HB ASN 49 10.376 -2.154 11.661 391 HD21 ASN 49 1HD2 ASN 49 11.425 -4.015 11.653 392 HD22 ASN 49 2HD2 ASN 49 10.762 -5.543 11.194 393 H THR 50 H THR 50 6.282 -2.360 13.246 394 HA THR 50 HA THR 50 7.705 -2.026 15.721 395 HB THR 50 HB THR 50 5.603 -2.380 16.824 396 HG1 THR 50 1HG THR 50 3.997 -3.486 15.935 397 HG21 THR 50 3HG2 THR 50 4.132 -0.773 15.590 398 HG22 THR 50 1HG2 THR 50 5.284 -0.826 14.257 399 HG23 THR 50 2HG2 THR 50 5.784 -0.205 15.831 400 H THR 51 H THR 51 7.351 -4.576 13.595 401 HA THR 51 HA THR 51 6.978 -6.792 15.263 402 HB THR 51 HB THR 51 8.755 -7.641 13.276 403 HG1 THR 51 1HG THR 51 6.899 -5.918 12.029 404 HG21 THR 51 3HG2 THR 51 6.950 -8.851 12.509 405 HG22 THR 51 1HG2 THR 51 5.815 -7.526 12.765 406 HG23 THR 51 2HG2 THR 51 6.412 -8.454 14.141 407 H GLU 52 H GLU 52 9.047 -8.503 15.050 408 HA GLU 52 HA GLU 52 11.258 -7.161 16.462 409 HB2 GLU 52 1HB GLU 52 9.991 -9.839 17.047 410 HB3 GLU 52 2HB GLU 52 11.514 -9.309 17.747 411 HG2 GLU 52 1HG GLU 52 10.100 -7.236 18.488 412 HG3 GLU 52 2HG GLU 52 8.749 -8.347 18.272 413 H LYS 53 H LYS 53 11.009 -7.792 13.628 414 HA LYS 53 HA LYS 53 13.426 -9.425 13.378 415 HB2 LYS 53 1HB LYS 53 10.812 -9.891 11.967 416 HB3 LYS 53 2HB LYS 53 12.334 -10.397 11.244 417 HG2 LYS 53 1HG LYS 53 12.756 -11.632 13.444 418 HG3 LYS 53 2HG LYS 53 11.038 -11.378 13.761 419 HD2 LYS 53 1HD LYS 53 11.042 -12.328 11.185 420 HD3 LYS 53 2HD LYS 53 12.358 -13.236 11.933 421 HE2 LYS 53 1HE LYS 53 10.757 -13.766 13.811 422 HE3 LYS 53 2HE LYS 53 9.479 -13.089 12.803 423 HZ1 LYS 53 3HZ LYS 53 10.692 -14.814 11.127 424 HZ2 LYS 53 1HZ LYS 53 9.304 -15.162 12.029 425 HZ3 LYS 53 2HZ LYS 53 10.824 -15.629 12.604 426 H THR 54 H THR 54 14.263 -9.283 11.036 427 HA THR 54 HA THR 54 13.882 -6.525 10.064 428 HB THR 54 HB THR 54 16.454 -8.044 9.710 429 HG1 THR 54 1HG THR 54 16.595 -7.906 11.835 430 HG21 THR 54 3HG2 THR 54 15.452 -5.352 9.160 431 HG22 THR 54 1HG2 THR 54 16.816 -6.217 8.455 432 HG23 THR 54 2HG2 THR 54 17.007 -5.373 9.991 433 H GLN 55 H GLN 55 12.544 -9.022 9.225 434 HA GLN 55 HA GLN 55 13.572 -10.020 6.825 435 HB2 GLN 55 1HB GLN 55 10.634 -9.778 7.000 436 HB3 GLN 55 2HB GLN 55 11.632 -11.189 6.675 437 HG2 GLN 55 1HG GLN 55 10.859 -11.800 8.702 438 HG3 GLN 55 2HG GLN 55 12.244 -10.852 9.240 439 HE21 GLN 55 1HE2 GLN 55 9.393 -11.484 10.243 440 HE22 GLN 55 2HE2 GLN 55 8.818 -9.944 10.773 441 H ASN 56 H ASN 56 11.752 -9.716 4.840 442 HA ASN 56 HA ASN 56 12.534 -7.314 3.621 443 HB2 ASN 56 1HB ASN 56 11.689 -9.498 2.539 444 HB3 ASN 56 2HB ASN 56 10.074 -8.850 2.810 445 HD21 ASN 56 1HD2 ASN 56 13.191 -8.079 1.340 446 HD22 ASN 56 2HD2 ASN 56 12.546 -7.128 0.049 447 H ILE 57 H ILE 57 10.947 -5.691 2.712 448 HA ILE 57 HA ILE 57 9.261 -4.739 4.906 449 HB ILE 57 HB ILE 57 10.168 -3.281 2.421 450 HG12 ILE 57 1HG1 ILE 57 11.129 -2.748 5.218 451 HG13 ILE 57 2HG1 ILE 57 11.894 -3.991 4.233 452 HG21 ILE 57 1HG2 ILE 57 9.488 -1.282 3.901 453 HG22 ILE 57 2HG2 ILE 57 8.222 -2.202 3.089 454 HG23 ILE 57 3HG2 ILE 57 8.544 -2.469 4.802 455 HD11 ILE 57 3HD1 ILE 57 12.879 -2.490 2.864 456 HD12 ILE 57 1HD1 ILE 57 11.560 -1.328 3.001 457 HD13 ILE 57 2HD1 ILE 57 12.743 -1.477 4.301 458 H GLN 58 H GLN 58 9.120 -5.170 1.375 459 HA GLN 58 HA GLN 58 6.477 -4.471 0.959 460 HB2 GLN 58 1HB GLN 58 7.822 -4.831 -0.949 461 HB3 GLN 58 2HB GLN 58 8.265 -6.453 -0.432 462 HG2 GLN 58 1HG GLN 58 5.987 -7.214 -0.834 463 HG3 GLN 58 2HG GLN 58 5.526 -5.587 -1.331 464 HE21 GLN 58 1HE2 GLN 58 7.342 -4.737 -2.989 465 HE22 GLN 58 2HE2 GLN 58 7.553 -5.790 -4.343 466 H LEU 59 H LEU 59 7.790 -7.315 2.433 467 HA LEU 59 HA LEU 59 5.642 -9.085 2.110 468 HB2 LEU 59 1HB LEU 59 8.098 -9.066 3.446 469 HB3 LEU 59 2HB LEU 59 6.889 -9.361 4.695 470 HG LEU 59 HG LEU 59 7.726 -11.465 3.905 471 HD11 LEU 59 1HD1 LEU 59 5.030 -11.109 2.625 472 HD12 LEU 59 2HD1 LEU 59 5.261 -11.161 4.372 473 HD13 LEU 59 3HD1 LEU 59 5.700 -12.554 3.384 474 HD21 LEU 59 3HD2 LEU 59 8.590 -11.393 1.829 475 HD22 LEU 59 1HD2 LEU 59 7.437 -10.176 1.278 476 HD23 LEU 59 2HD2 LEU 59 6.963 -11.874 1.342 477 H MET 60 H MET 60 5.915 -6.231 3.961 478 HA MET 60 HA MET 60 3.690 -6.981 5.711 479 HB2 MET 60 1HB MET 60 5.162 -4.359 5.787 480 HB3 MET 60 2HB MET 60 4.261 -5.148 7.075 481 HG2 MET 60 1HG MET 60 5.960 -6.789 7.364 482 HG3 MET 60 2HG MET 60 6.805 -6.248 5.915 483 HE1 MET 60 3HE MET 60 5.237 -3.462 8.146 484 HE2 MET 60 1HE MET 60 5.331 -4.830 9.255 485 HE3 MET 60 2HE MET 60 6.349 -3.414 9.515 486 H ILE 61 H ILE 61 4.628 -4.314 3.539 487 HA ILE 61 HA ILE 61 2.204 -2.953 3.537 488 HB ILE 61 HB ILE 61 4.222 -3.204 1.305 489 HG12 ILE 61 1HG1 ILE 61 5.166 -2.253 3.337 490 HG13 ILE 61 2HG1 ILE 61 4.980 -0.991 2.123 491 HG21 ILE 61 1HG2 ILE 61 3.044 -0.812 0.902 492 HG22 ILE 61 2HG2 ILE 61 2.561 -2.296 0.084 493 HG23 ILE 61 3HG2 ILE 61 1.674 -1.744 1.504 494 HD11 ILE 61 3HD1 ILE 61 3.241 -1.483 4.524 495 HD12 ILE 61 1HD1 ILE 61 4.314 -0.115 4.233 496 HD13 ILE 61 2HD1 ILE 61 2.865 -0.324 3.250 497 H GLN 62 H GLN 62 3.135 -5.876 1.905 498 HA GLN 62 HA GLN 62 0.934 -5.852 0.052 499 HB2 GLN 62 1HB GLN 62 3.108 -7.777 0.758 500 HB3 GLN 62 2HB GLN 62 1.703 -8.369 -0.119 501 HG2 GLN 62 1HG GLN 62 2.154 -6.454 -1.755 502 HG3 GLN 62 2HG GLN 62 3.734 -6.344 -0.979 503 HE21 GLN 62 1HE2 GLN 62 4.632 -8.739 -0.633 504 HE22 GLN 62 2HE2 GLN 62 4.680 -9.663 -2.092 505 H SER 63 H SER 63 1.423 -6.814 3.306 506 HA SER 63 HA SER 63 -0.937 -8.545 3.295 507 HB2 SER 63 1HB SER 63 -0.157 -8.670 5.843 508 HB3 SER 63 2HB SER 63 0.609 -9.645 4.589 509 HG SER 63 HG SER 63 2.325 -8.704 5.433 510 H PHE 64 H PHE 64 0.109 -5.389 4.218 511 HA PHE 64 HA PHE 64 -2.124 -4.926 6.005 512 HB2 PHE 64 1HB PHE 64 0.095 -3.153 4.981 513 HB3 PHE 64 2HB PHE 64 -1.201 -2.562 6.017 514 HD1 PHE 64 1HD PHE 64 -1.528 -4.776 7.904 515 HD2 PHE 64 2HD PHE 64 2.008 -3.055 6.276 516 HE1 PHE 64 1HE PHE 64 -0.268 -5.496 9.890 517 HE2 PHE 64 2HE PHE 64 3.274 -3.773 8.259 518 HZ PHE 64 HZ PHE 64 2.137 -4.996 10.069 519 H MET 65 H MET 65 -1.000 -2.950 3.271 520 HA MET 65 HA MET 65 -3.785 -2.371 2.610 521 HB2 MET 65 1HB MET 65 -2.398 -0.429 2.812 522 HB3 MET 65 2HB MET 65 -1.181 -1.116 1.745 523 HG2 MET 65 1HG MET 65 -2.793 -1.017 -0.113 524 HG3 MET 65 2HG MET 65 -3.956 -0.254 0.968 525 HE1 MET 65 3HE MET 65 -0.049 0.204 0.448 526 HE2 MET 65 1HE MET 65 -0.755 0.130 -1.167 527 HE3 MET 65 2HE MET 65 -0.052 1.638 -0.581 528 H GLU 66 H GLU 66 -4.692 -2.753 0.602 529 HA GLU 66 HA GLU 66 -3.102 -4.387 -1.261 530 HB2 GLU 66 1HB GLU 66 -4.489 -5.972 -0.191 531 HB3 GLU 66 2HB GLU 66 -5.878 -4.894 -0.214 532 HG2 GLU 66 1HG GLU 66 -6.029 -5.120 -2.633 533 HG3 GLU 66 2HG GLU 66 -4.620 -6.179 -2.628 534 H VAL 67 H VAL 67 -3.058 -3.595 -3.253 535 HA VAL 67 HA VAL 67 -5.152 -1.677 -4.044 536 HB VAL 67 HB VAL 67 -2.368 -1.876 -5.195 537 HG11 VAL 67 1HG1 VAL 67 -4.319 0.409 -5.359 538 HG12 VAL 67 2HG1 VAL 67 -2.836 0.171 -6.286 539 HG13 VAL 67 3HG1 VAL 67 -4.233 -0.868 -6.573 540 HG21 VAL 67 3HG2 VAL 67 -1.928 0.206 -3.887 541 HG22 VAL 67 1HG2 VAL 67 -3.444 -0.075 -3.031 542 HG23 VAL 67 2HG2 VAL 67 -2.127 -1.241 -2.899 543 H SER 68 H SER 68 -6.237 -1.954 -5.932 544 HA SER 68 HA SER 68 -5.360 -3.866 -7.910 545 HB2 SER 68 1HB SER 68 -7.935 -4.785 -7.553 546 HB3 SER 68 2HB SER 68 -6.474 -5.604 -7.002 547 HG SER 68 HG SER 68 -7.957 -5.342 -5.299 548 H GLN 69 H GLN 69 -6.243 -3.495 -9.903 549 HA GLN 69 HA GLN 69 -8.301 -1.395 -10.068 550 HB2 GLN 69 1HB GLN 69 -5.659 -1.608 -11.402 551 HB3 GLN 69 2HB GLN 69 -6.994 -1.017 -12.383 552 HG2 GLN 69 1HG GLN 69 -7.412 0.759 -10.780 553 HG3 GLN 69 2HG GLN 69 -6.114 0.153 -9.753 554 HE21 GLN 69 1HE2 GLN 69 -6.622 2.704 -11.328 555 HE22 GLN 69 2HE2 GLN 69 -5.147 2.955 -12.192 556 H THR 70 H THR 70 -9.294 -1.344 -12.344 557 HA THR 70 HA THR 70 -10.255 -4.018 -12.904 558 HB THR 70 HB THR 70 -11.067 -1.548 -14.417 559 HG1 THR 70 1HG THR 70 -11.629 -0.807 -12.496 560 HG21 THR 70 3HG2 THR 70 -12.233 -4.245 -13.862 561 HG22 THR 70 1HG2 THR 70 -12.096 -3.378 -15.391 562 HG23 THR 70 2HG2 THR 70 -13.302 -2.885 -14.202 563 H VAL 71 H VAL 71 -10.153 -5.064 -14.905 564 HA VAL 71 HA VAL 71 -8.796 -3.956 -17.156 565 HB VAL 71 HB VAL 71 -6.809 -4.356 -15.840 566 HG11 VAL 71 1HG1 VAL 71 -7.786 -6.041 -14.322 567 HG12 VAL 71 2HG1 VAL 71 -7.700 -7.229 -15.624 568 HG13 VAL 71 3HG1 VAL 71 -6.220 -6.530 -14.967 569 HG21 VAL 71 3HG2 VAL 71 -7.023 -5.024 -18.349 570 HG22 VAL 71 1HG2 VAL 71 -5.577 -5.469 -17.444 571 HG23 VAL 71 2HG2 VAL 71 -6.839 -6.666 -17.735 572 H HIS 72 H HIS 72 -9.555 -4.935 -18.917 573 HA HIS 72 HA HIS 72 -10.687 -6.392 -20.250 574 HB2 HIS 72 1HB HIS 72 -9.018 -8.194 -18.533 575 HB3 HIS 72 2HB HIS 72 -10.176 -8.896 -19.660 576 HD1 HIS 72 1HD HIS 72 -9.841 -7.916 -22.240 577 HD2 HIS 72 2HD HIS 72 -6.599 -7.752 -19.647 578 HE1 HIS 72 1HE HIS 72 -7.817 -7.661 -23.710 579 H GLY 73 H GLY 73 -11.947 -5.432 -17.740 580 HA2 GLY 73 1HA GLY 73 -14.103 -5.668 -16.920 581 HA3 GLY 73 2HA GLY 73 -14.259 -7.153 -17.847 582 H LYS 74 H LYS 74 -11.527 -6.789 -15.765 583 HA LYS 74 HA LYS 74 -12.807 -8.171 -13.551 584 HB2 LYS 74 1HB LYS 74 -10.750 -9.415 -15.343 585 HB3 LYS 74 2HB LYS 74 -10.809 -9.854 -13.640 586 HG2 LYS 74 1HG LYS 74 -13.440 -10.055 -14.463 587 HG3 LYS 74 2HG LYS 74 -12.514 -10.678 -15.830 588 HD2 LYS 74 1HD LYS 74 -11.344 -12.222 -14.344 589 HD3 LYS 74 2HD LYS 74 -12.241 -11.585 -12.964 590 HE2 LYS 74 1HE LYS 74 -14.272 -12.479 -13.738 591 HE3 LYS 74 2HE LYS 74 -13.630 -12.755 -15.356 592 HZ1 LYS 74 3HZ LYS 74 -12.025 -14.340 -14.144 593 HZ2 LYS 74 1HZ LYS 74 -13.613 -14.850 -14.428 594 HZ3 LYS 74 2HZ LYS 74 -13.163 -14.300 -12.893 595 H ALA 75 H ALA 75 -11.823 -7.803 -11.613 596 HA ALA 75 HA ALA 75 -9.871 -5.705 -11.514 597 HB1 ALA 75 1HB ALA 75 -10.081 -5.933 -9.073 598 HB2 ALA 75 2HB ALA 75 -11.648 -5.786 -9.870 599 HB3 ALA 75 3HB ALA 75 -11.089 -7.361 -9.307 600 H GLN 76 H GLN 76 -7.732 -5.818 -11.073 601 HA GLN 76 HA GLN 76 -6.592 -8.467 -10.485 602 HB2 GLN 76 1HB GLN 76 -4.759 -8.044 -12.002 603 HB3 GLN 76 2HB GLN 76 -6.278 -7.878 -12.873 604 HG2 GLN 76 1HG GLN 76 -6.096 -5.553 -12.984 605 HG3 GLN 76 2HG GLN 76 -4.871 -5.500 -11.717 606 HE21 GLN 76 1HE2 GLN 76 -3.446 -4.338 -12.997 607 HE22 GLN 76 2HE2 GLN 76 -2.599 -5.054 -14.322 608 H ASN 77 H ASN 77 -4.481 -8.413 -9.457 609 HA ASN 77 HA ASN 77 -4.342 -6.301 -7.490 610 HB2 ASN 77 1HB ASN 77 -3.010 -8.951 -7.874 611 HB3 ASN 77 2HB ASN 77 -2.254 -7.769 -6.809 612 HD21 ASN 77 1HD2 ASN 77 -5.572 -8.861 -7.457 613 HD22 ASN 77 2HD2 ASN 77 -5.986 -9.127 -5.800 614 H LEU 78 H LEU 78 -3.253 -4.487 -7.812 615 HA LEU 78 HA LEU 78 -1.395 -4.187 -9.966 616 HB2 LEU 78 1HB LEU 78 -2.089 -2.329 -7.695 617 HB3 LEU 78 2HB LEU 78 -1.121 -1.896 -9.103 618 HG LEU 78 HG LEU 78 -4.012 -2.749 -9.216 619 HD11 LEU 78 1HD1 LEU 78 -2.941 -0.315 -8.315 620 HD12 LEU 78 2HD1 LEU 78 -4.619 -0.677 -8.719 621 HD13 LEU 78 3HD1 LEU 78 -3.538 -0.023 -9.949 622 HD21 LEU 78 3HD2 LEU 78 -2.183 -2.851 -11.204 623 HD22 LEU 78 1HD2 LEU 78 -2.773 -1.199 -11.386 624 HD23 LEU 78 2HD2 LEU 78 -3.903 -2.551 -11.455 625 H GLN 79 H GLN 79 0.747 -4.418 -9.951 626 HA GLN 79 HA GLN 79 2.064 -4.888 -7.366 627 HB2 GLN 79 1HB GLN 79 3.723 -6.159 -8.555 628 HB3 GLN 79 2HB GLN 79 2.133 -6.724 -9.051 629 HG2 GLN 79 1HG GLN 79 2.569 -4.870 -10.942 630 HG3 GLN 79 2HG GLN 79 4.229 -5.355 -10.599 631 HE21 GLN 79 1HE2 GLN 79 1.483 -6.038 -12.354 632 HE22 GLN 79 2HE2 GLN 79 1.883 -7.638 -12.867 633 H TYR 80 H TYR 80 4.659 -4.495 -7.919 634 HA TYR 80 HA TYR 80 5.053 -1.782 -7.624 635 HB2 TYR 80 1HB TYR 80 6.748 -3.466 -7.059 636 HB3 TYR 80 2HB TYR 80 6.996 -3.800 -8.769 637 HD1 TYR 80 2HD TYR 80 7.352 -1.188 -6.164 638 HD2 TYR 80 1HD TYR 80 8.466 -2.481 -10.062 639 HE1 TYR 80 2HE TYR 80 9.068 0.572 -6.252 640 HE2 TYR 80 1HE TYR 80 10.186 -0.725 -10.160 641 HH TYR 80 HH TYR 80 11.331 0.800 -8.946 642 H ALA 81 H ALA 81 5.078 -0.083 -8.945 643 HA ALA 81 HA ALA 81 4.517 -0.446 -11.747 644 HB1 ALA 81 1HB ALA 81 3.470 1.480 -11.415 645 HB2 ALA 81 2HB ALA 81 4.197 1.638 -9.816 646 HB3 ALA 81 3HB ALA 81 5.036 2.270 -11.232 647 H VAL 82 H VAL 82 5.989 -0.621 -13.295 648 HA VAL 82 HA VAL 82 8.765 -0.413 -12.817 649 HB VAL 82 HB VAL 82 7.277 -0.491 -15.446 650 HG11 VAL 82 1HG1 VAL 82 10.156 -0.410 -14.768 651 HG12 VAL 82 2HG1 VAL 82 9.663 -1.546 -16.026 652 HG13 VAL 82 3HG1 VAL 82 9.310 0.174 -16.200 653 HG21 VAL 82 3HG2 VAL 82 7.837 -2.873 -15.434 654 HG22 VAL 82 1HG2 VAL 82 8.589 -2.689 -13.849 655 HG23 VAL 82 2HG2 VAL 82 6.853 -2.440 -14.036 656 H LEU 83 H LEU 83 10.252 1.143 -13.348 657 HA LEU 83 HA LEU 83 9.354 3.593 -14.647 658 HB2 LEU 83 1HB LEU 83 10.974 4.195 -12.314 659 HB3 LEU 83 2HB LEU 83 9.481 4.943 -12.878 660 HG LEU 83 HG LEU 83 8.330 2.870 -11.838 661 HD11 LEU 83 1HD1 LEU 83 9.450 1.634 -10.252 662 HD12 LEU 83 2HD1 LEU 83 10.703 2.854 -10.028 663 HD13 LEU 83 3HD1 LEU 83 10.700 1.849 -11.477 664 HD21 LEU 83 3HD2 LEU 83 8.342 5.291 -11.043 665 HD22 LEU 83 1HD2 LEU 83 9.586 4.788 -9.898 666 HD23 LEU 83 2HD2 LEU 83 7.985 4.051 -9.840 667 H THR 84 H THR 84 10.986 4.747 -15.648 668 HA THR 84 HA THR 84 13.440 3.268 -16.089 669 HB THR 84 HB THR 84 13.913 5.096 -17.761 670 HG1 THR 84 1HG THR 84 11.212 5.851 -17.300 671 HG21 THR 84 3HG2 THR 84 11.902 3.030 -17.838 672 HG22 THR 84 1HG2 THR 84 13.021 3.548 -19.098 673 HG23 THR 84 2HG2 THR 84 11.469 4.363 -18.909 674 H ASP 85 H ASP 85 12.574 6.583 -15.104 675 HA ASP 85 HA ASP 85 14.821 6.654 -13.285 676 HB2 ASP 85 1HB ASP 85 14.652 8.674 -15.532 677 HB3 ASP 85 2HB ASP 85 15.852 8.639 -14.243 678 H SER 86 H SER 86 13.882 7.356 -11.490 679 HA SER 86 HA SER 86 12.199 9.757 -11.633 680 HB2 SER 86 1HB SER 86 11.511 7.128 -10.339 681 HB3 SER 86 2HB SER 86 10.802 8.637 -9.762 682 HG SER 86 HG SER 86 10.304 8.908 -12.152 683 HA PRO 87 HA PRO 87 14.617 11.203 -8.265 684 HB2 PRO 87 1HB PRO 87 12.832 12.834 -7.031 685 HB3 PRO 87 2HB PRO 87 13.594 13.237 -8.574 686 HG2 PRO 87 1HG PRO 87 10.877 12.098 -8.044 687 HG3 PRO 87 2HG PRO 87 11.354 13.373 -9.180 688 HD2 PRO 87 1HD PRO 87 10.905 10.819 -9.960 689 HD3 PRO 87 2HD PRO 87 12.100 11.864 -10.755 690 H PHE 88 H PHE 88 11.529 9.688 -7.634 691 HA PHE 88 HA PHE 88 12.132 9.349 -4.805 692 HB2 PHE 88 1HB PHE 88 9.734 8.861 -6.529 693 HB3 PHE 88 2HB PHE 88 9.869 8.022 -4.988 694 HD1 PHE 88 1HD PHE 88 9.791 11.374 -6.551 695 HD2 PHE 88 2HD PHE 88 9.373 9.108 -2.972 696 HE1 PHE 88 1HE PHE 88 8.914 13.363 -5.398 697 HE2 PHE 88 2HE PHE 88 8.495 11.093 -1.814 698 HZ PHE 88 HZ PHE 88 8.264 13.224 -3.027 699 H GLN 89 H GLN 89 13.987 8.100 -6.429 700 HA GLN 89 HA GLN 89 13.304 5.310 -6.710 701 HB2 GLN 89 1HB GLN 89 15.264 7.031 -7.782 702 HB3 GLN 89 2HB GLN 89 16.133 5.807 -6.866 703 HG2 GLN 89 1HG GLN 89 13.992 5.015 -8.793 704 HG3 GLN 89 2HG GLN 89 15.614 5.404 -9.363 705 HE21 GLN 89 1HE2 GLN 89 13.852 3.362 -7.085 706 HE22 GLN 89 2HE2 GLN 89 14.960 2.038 -7.138 707 H ASP 90 H ASP 90 14.222 7.250 -4.164 708 HA ASP 90 HA ASP 90 15.957 5.436 -2.785 709 HB2 ASP 90 1HB ASP 90 14.851 8.089 -2.340 710 HB3 ASP 90 2HB ASP 90 14.840 7.119 -0.870 711 H LYS 91 H LYS 91 12.677 6.572 -1.955 712 HA LYS 91 HA LYS 91 12.140 4.629 -0.037 713 HB2 LYS 91 1HB LYS 91 10.161 6.010 -1.861 714 HB3 LYS 91 2HB LYS 91 9.775 5.202 -0.347 715 HG2 LYS 91 1HG LYS 91 9.933 7.252 0.528 716 HG3 LYS 91 2HG LYS 91 11.673 6.960 0.469 717 HD2 LYS 91 1HD LYS 91 10.978 7.866 -2.086 718 HD3 LYS 91 2HD LYS 91 10.088 8.898 -0.962 719 HE2 LYS 91 1HE LYS 91 12.266 9.207 0.279 720 HE3 LYS 91 2HE LYS 91 13.059 8.417 -1.084 721 HZ1 LYS 91 3HZ LYS 91 12.573 10.163 -2.489 722 HZ2 LYS 91 1HZ LYS 91 12.897 10.971 -1.038 723 HZ3 LYS 91 2HZ LYS 91 11.298 10.736 -1.536 724 H LEU 92 H LEU 92 12.009 4.464 -3.506 725 HA LEU 92 HA LEU 92 10.323 2.258 -3.841 726 HB2 LEU 92 1HB LEU 92 12.403 3.615 -5.421 727 HB3 LEU 92 2HB LEU 92 12.098 1.936 -5.859 728 HG LEU 92 HG LEU 92 9.854 2.401 -6.452 729 HD11 LEU 92 1HD1 LEU 92 10.242 4.743 -4.731 730 HD12 LEU 92 2HD1 LEU 92 8.788 3.802 -5.064 731 HD13 LEU 92 3HD1 LEU 92 9.310 5.048 -6.197 732 HD21 LEU 92 3HD2 LEU 92 11.821 3.271 -7.920 733 HD22 LEU 92 1HD2 LEU 92 11.208 4.862 -7.469 734 HD23 LEU 92 2HD2 LEU 92 10.163 3.722 -8.317 735 H ASP 93 H ASP 93 13.537 2.475 -2.626 736 HA ASP 93 HA ASP 93 14.157 -0.317 -3.063 737 HB2 ASP 93 1HB ASP 93 15.601 1.827 -1.491 738 HB3 ASP 93 2HB ASP 93 16.213 0.197 -1.763 739 H ARG 94 H ARG 94 12.100 1.171 -1.041 740 HA ARG 94 HA ARG 94 12.745 -0.386 1.341 741 HB2 ARG 94 1HB ARG 94 10.413 1.489 0.947 742 HB3 ARG 94 2HB ARG 94 11.073 0.902 2.468 743 HG2 ARG 94 1HG ARG 94 12.522 2.706 0.541 744 HG3 ARG 94 2HG ARG 94 11.673 3.239 1.994 745 HD2 ARG 94 1HD ARG 94 13.636 2.981 3.032 746 HD3 ARG 94 2HD ARG 94 13.303 1.251 2.947 747 HE ARG 94 HE ARG 94 14.520 1.950 0.559 748 HH11 ARG 94 1HH1 ARG 94 15.311 1.944 3.949 749 HH12 ARG 94 2HH1 ARG 94 17.007 1.706 3.687 750 HH21 ARG 94 1HH2 ARG 94 16.751 1.636 0.201 751 HH22 ARG 94 2HH2 ARG 94 17.825 1.532 1.555 752 H LEU 95 H LEU 95 11.768 -1.558 -1.241 753 HA LEU 95 HA LEU 95 9.380 -2.914 -0.170 754 HB2 LEU 95 1HB LEU 95 9.997 -2.733 -3.095 755 HB3 LEU 95 2HB LEU 95 8.461 -3.092 -2.308 756 HG LEU 95 HG LEU 95 9.813 -0.409 -2.550 757 HD11 LEU 95 1HD1 LEU 95 8.187 -1.706 -4.312 758 HD12 LEU 95 2HD1 LEU 95 8.365 0.044 -4.194 759 HD13 LEU 95 3HD1 LEU 95 7.029 -0.764 -3.373 760 HD21 LEU 95 3HD2 LEU 95 7.830 -1.392 -0.630 761 HD22 LEU 95 1HD2 LEU 95 7.354 0.076 -1.485 762 HD23 LEU 95 2HD2 LEU 95 8.862 0.038 -0.570 763 H ALA 96 H ALA 96 12.382 -3.243 -1.980 764 HA ALA 96 HA ALA 96 12.196 -6.167 -1.693 765 HB1 ALA 96 1HB ALA 96 12.660 -4.764 -3.961 766 HB2 ALA 96 2HB ALA 96 14.310 -5.078 -3.419 767 HB3 ALA 96 3HB ALA 96 13.199 -6.421 -3.689 768 H ASP 97 H ASP 97 12.958 -4.441 0.475 769 HA ASP 97 HA ASP 97 15.603 -5.566 1.002 770 HB2 ASP 97 1HB ASP 97 15.292 -2.881 0.326 771 HB3 ASP 97 2HB ASP 97 15.402 -2.875 2.084 772 H GLU 98 H GLU 98 16.164 -4.747 3.437 773 HA GLU 98 HA GLU 98 14.053 -5.915 5.033 774 HB2 GLU 98 1HB GLU 98 16.791 -4.905 5.825 775 HB3 GLU 98 2HB GLU 98 15.692 -5.789 6.874 776 HG2 GLU 98 1HG GLU 98 15.967 -7.776 5.696 777 HG3 GLU 98 2HG GLU 98 16.613 -6.955 4.277 778 H ILE 99 H ILE 99 13.440 -4.912 7.128 779 HA ILE 99 HA ILE 99 12.938 -2.049 6.728 780 HB ILE 99 HB ILE 99 11.571 -3.358 8.968 781 HG12 ILE 99 1HG1 ILE 99 9.957 -4.248 6.951 782 HG13 ILE 99 2HG1 ILE 99 11.553 -4.565 6.281 783 HG21 ILE 99 1HG2 ILE 99 10.999 -1.420 6.803 784 HG22 ILE 99 2HG2 ILE 99 9.633 -2.309 7.475 785 HG23 ILE 99 3HG2 ILE 99 10.651 -1.328 8.529 786 HD11 ILE 99 3HD1 ILE 99 10.593 -6.479 7.500 787 HD12 ILE 99 1HD1 ILE 99 12.128 -5.928 8.169 788 HD13 ILE 99 2HD1 ILE 99 10.615 -5.514 8.976 789 H ASN 100 H ASN 100 12.398 -1.176 9.223 790 HA ASN 100 HA ASN 100 14.926 -1.580 10.683 791 HB2 ASN 100 1HB ASN 100 13.337 0.980 10.395 792 HB3 ASN 100 2HB ASN 100 14.792 0.788 11.369 793 HD21 ASN 100 1HD2 ASN 100 16.334 -0.753 9.684 794 HD22 ASN 100 2HD2 ASN 100 16.740 0.171 8.282 795 HA PRO 101 HA PRO 101 11.534 -2.785 13.543 796 HB2 PRO 101 1HB PRO 101 12.975 -4.736 14.763 797 HB3 PRO 101 2HB PRO 101 12.083 -4.999 13.260 798 HG2 PRO 101 1HG PRO 101 15.000 -4.462 13.661 799 HG3 PRO 101 2HG PRO 101 14.215 -5.628 12.580 800 HD2 PRO 101 1HD PRO 101 15.170 -3.249 11.709 801 HD3 PRO 101 2HD PRO 101 13.747 -4.029 10.988 802 H GLY 102 H GLY 102 11.482 -1.069 14.926 803 HA2 GLY 102 1HA GLY 102 11.894 -0.493 17.237 804 HA3 GLY 102 2HA GLY 102 13.552 -1.035 17.025 805 H GLU 103 H GLU 103 12.594 0.663 14.319 806 HA GLU 103 HA GLU 103 13.796 3.139 15.371 807 HB2 GLU 103 1HB GLU 103 15.181 1.904 13.696 808 HB3 GLU 103 2HB GLU 103 13.893 2.135 12.522 809 HG2 GLU 103 1HG GLU 103 14.283 4.397 12.334 810 HG3 GLU 103 2HG GLU 103 15.068 4.498 13.909 811 H THR 104 H THR 104 13.127 5.132 14.232 812 HA THR 104 HA THR 104 10.268 4.999 13.546 813 HB THR 104 HB THR 104 10.508 6.348 15.475 814 HG1 THR 104 1HG THR 104 9.460 8.037 14.690 815 HG21 THR 104 3HG2 THR 104 12.135 8.483 14.975 816 HG22 THR 104 1HG2 THR 104 13.009 7.173 14.182 817 HG23 THR 104 2HG2 THR 104 12.604 7.053 15.894 818 H ILE 105 H ILE 105 10.635 4.554 11.331 819 HA ILE 105 HA ILE 105 11.468 6.924 9.805 820 HB ILE 105 HB ILE 105 12.535 5.527 8.118 821 HG12 ILE 105 1HG1 ILE 105 13.037 3.083 9.167 822 HG13 ILE 105 2HG1 ILE 105 11.420 3.364 9.804 823 HG21 ILE 105 1HG2 ILE 105 14.345 4.514 9.796 824 HG22 ILE 105 2HG2 ILE 105 14.207 6.242 9.472 825 HG23 ILE 105 3HG2 ILE 105 13.476 5.556 10.923 826 HD11 ILE 105 3HD1 ILE 105 11.974 3.789 6.905 827 HD12 ILE 105 1HD1 ILE 105 11.721 2.161 7.535 828 HD13 ILE 105 2HD1 ILE 105 10.460 3.382 7.712 829 H GLN 106 H GLN 106 10.926 6.237 7.301 830 HA GLN 106 HA GLN 106 8.240 5.074 7.232 831 HB2 GLN 106 1HB GLN 106 7.352 6.925 5.941 832 HB3 GLN 106 2HB GLN 106 7.972 7.518 7.476 833 HG2 GLN 106 1HG GLN 106 9.967 8.341 6.399 834 HG3 GLN 106 2HG GLN 106 9.451 7.655 4.859 835 HE21 GLN 106 1HE2 GLN 106 8.782 10.102 7.269 836 HE22 GLN 106 2HE2 GLN 106 7.862 11.139 6.239 837 H GLY 107 H GLY 107 7.583 5.507 4.631 838 HA2 GLY 107 1HA GLY 107 9.680 5.075 2.778 839 HA3 GLY 107 2HA GLY 107 8.990 3.532 3.260 840 H ALA 108 H ALA 108 8.707 3.814 0.747 841 HA ALA 108 HA ALA 108 5.958 4.793 0.339 842 HB1 ALA 108 1HB ALA 108 7.958 6.116 -0.734 843 HB2 ALA 108 2HB ALA 108 7.883 4.823 -1.933 844 HB3 ALA 108 3HB ALA 108 6.468 5.834 -1.637 845 H TYR 109 H TYR 109 5.333 3.883 -2.063 846 HA TYR 109 HA TYR 109 6.221 1.303 -2.749 847 HB2 TYR 109 1HB TYR 109 5.048 0.923 -0.484 848 HB3 TYR 109 2HB TYR 109 3.551 1.211 -1.363 849 HD1 TYR 109 1HD TYR 109 3.469 -0.194 -3.689 850 HD2 TYR 109 2HD TYR 109 5.631 -1.282 -0.189 851 HE1 TYR 109 1HE TYR 109 3.432 -2.547 -4.404 852 HE2 TYR 109 2HE TYR 109 5.601 -3.637 -0.896 853 HH TYR 109 HH TYR 109 3.623 -4.772 -3.426 854 HA PRO 110 HA PRO 110 3.690 3.454 -5.915 855 HB2 PRO 110 1HB PRO 110 5.314 2.761 -7.978 856 HB3 PRO 110 2HB PRO 110 5.614 4.167 -6.950 857 HG2 PRO 110 1HG PRO 110 6.842 1.440 -6.835 858 HG3 PRO 110 2HG PRO 110 7.620 3.025 -6.671 859 HD2 PRO 110 1HD PRO 110 7.004 1.476 -4.537 860 HD3 PRO 110 2HD PRO 110 6.982 3.250 -4.467 861 H TYR 111 H TYR 111 2.103 2.546 -7.103 862 HA TYR 111 HA TYR 111 2.246 -0.361 -7.570 863 HB2 TYR 111 1HB TYR 111 -0.126 1.386 -6.908 864 HB3 TYR 111 2HB TYR 111 -0.281 -0.267 -7.491 865 HD1 TYR 111 1HD TYR 111 0.959 1.821 -4.706 866 HD2 TYR 111 2HD TYR 111 0.062 -2.119 -6.038 867 HE1 TYR 111 1HE TYR 111 1.189 0.996 -2.400 868 HE2 TYR 111 2HE TYR 111 0.289 -2.955 -3.736 869 HH TYR 111 HH TYR 111 1.357 -0.849 -1.113 870 H GLU 112 H GLU 112 0.609 -1.020 -9.353 871 HA GLU 112 HA GLU 112 1.476 0.122 -11.774 872 HB2 GLU 112 1HB GLU 112 -0.408 -1.987 -10.954 873 HB3 GLU 112 2HB GLU 112 -0.784 -1.225 -12.493 874 HG2 GLU 112 1HG GLU 112 1.604 -1.684 -13.162 875 HG3 GLU 112 2HG GLU 112 1.719 -2.688 -11.718 876 H PHE 113 H PHE 113 0.904 1.992 -12.639 877 HA PHE 113 HA PHE 113 -1.746 3.096 -12.003 878 HB2 PHE 113 1HB PHE 113 0.704 4.273 -11.704 879 HB3 PHE 113 2HB PHE 113 0.215 4.877 -13.284 880 HD1 PHE 113 2HD PHE 113 -1.633 4.205 -10.111 881 HD2 PHE 113 1HD PHE 113 -0.560 7.026 -13.113 882 HE1 PHE 113 2HE PHE 113 -3.046 5.898 -9.021 883 HE2 PHE 113 1HE PHE 113 -1.971 8.723 -12.027 884 HZ PHE 113 HZ PHE 113 -3.217 8.160 -9.979 885 H ILE 114 H ILE 114 -0.452 1.295 -14.300 886 HA ILE 114 HA ILE 114 -0.670 2.466 -16.751 887 HB ILE 114 HB ILE 114 -1.762 -0.269 -16.080 888 HG12 ILE 114 1HG1 ILE 114 0.873 -0.261 -17.241 889 HG13 ILE 114 2HG1 ILE 114 0.861 0.730 -15.787 890 HG21 ILE 114 1HG2 ILE 114 -0.884 1.023 -18.648 891 HG22 ILE 114 2HG2 ILE 114 -1.007 -0.726 -18.457 892 HG23 ILE 114 3HG2 ILE 114 -2.440 0.285 -18.268 893 HD11 ILE 114 3HD1 ILE 114 1.466 -1.469 -15.153 894 HD12 ILE 114 1HD1 ILE 114 -0.184 -1.201 -14.593 895 HD13 ILE 114 2HD1 ILE 114 0.111 -2.166 -16.040 896 H ASN 115 H ASN 115 -3.261 1.643 -14.562 897 HA ASN 115 HA ASN 115 -5.247 2.462 -16.565 898 HB2 ASN 115 1HB ASN 115 -5.402 0.797 -14.072 899 HB3 ASN 115 2HB ASN 115 -6.852 1.560 -14.718 900 HD21 ASN 115 1HD2 ASN 115 -7.790 0.760 -16.533 901 HD22 ASN 115 2HD2 ASN 115 -7.266 -0.682 -17.327 902 H GLU 116 H GLU 116 -3.754 4.524 -15.590 903 HA GLU 116 HA GLU 116 -4.593 5.793 -13.274 904 HB2 GLU 116 1HB GLU 116 -3.956 7.927 -14.484 905 HB3 GLU 116 2HB GLU 116 -2.716 6.684 -14.411 906 HG2 GLU 116 1HG GLU 116 -4.406 6.517 -16.783 907 HG3 GLU 116 2HG GLU 116 -3.497 8.021 -16.656 908 H ASN 117 H ASN 117 -6.102 5.681 -16.443 909 HA ASN 117 HA ASN 117 -8.004 7.717 -16.054 910 HB2 ASN 117 1HB ASN 117 -9.311 6.293 -17.812 911 HB3 ASN 117 2HB ASN 117 -7.798 7.066 -18.275 912 HD21 ASN 117 1HD2 ASN 117 -5.891 5.774 -18.361 913 HD22 ASN 117 2HD2 ASN 117 -6.004 4.074 -18.650 914 H LYS 118 H LYS 118 -7.847 4.435 -14.953 915 HA LYS 118 HA LYS 118 -10.651 4.408 -14.163 916 HB2 LYS 118 1HB LYS 118 -8.484 2.325 -13.834 917 HB3 LYS 118 2HB LYS 118 -10.175 2.102 -13.406 918 HG2 LYS 118 1HG LYS 118 -9.081 2.589 -16.169 919 HG3 LYS 118 2HG LYS 118 -9.702 1.063 -15.534 920 HD2 LYS 118 1HD LYS 118 -11.871 2.403 -15.095 921 HD3 LYS 118 2HD LYS 118 -11.193 3.568 -16.233 922 HE2 LYS 118 1HE LYS 118 -10.964 1.745 -17.893 923 HE3 LYS 118 2HE LYS 118 -11.751 0.650 -16.757 924 HZ1 LYS 118 3HZ LYS 118 -13.519 1.316 -18.012 925 HZ2 LYS 118 1HZ LYS 118 -12.897 2.862 -18.304 926 HZ3 LYS 118 2HZ LYS 118 -13.580 2.495 -16.801 927 HA PRO 119 HA PRO 119 -10.023 5.652 -10.000 928 HB2 PRO 119 1HB PRO 119 -11.904 4.173 -8.718 929 HB3 PRO 119 2HB PRO 119 -12.305 5.551 -9.750 930 HG2 PRO 119 1HG PRO 119 -12.376 2.626 -10.383 931 HG3 PRO 119 2HG PRO 119 -13.553 3.888 -10.791 932 HD2 PRO 119 1HD PRO 119 -11.736 2.959 -12.571 933 HD3 PRO 119 2HD PRO 119 -12.316 4.637 -12.586 934 H VAL 120 H VAL 120 -8.933 5.086 -8.153 935 HA VAL 120 HA VAL 120 -7.779 2.391 -8.125 936 HB VAL 120 HB VAL 120 -6.897 4.780 -6.506 937 HG11 VAL 120 1HG1 VAL 120 -4.730 3.424 -6.532 938 HG12 VAL 120 2HG1 VAL 120 -6.043 2.841 -5.507 939 HG13 VAL 120 3HG1 VAL 120 -5.728 2.072 -7.064 940 HG21 VAL 120 3HG2 VAL 120 -5.147 5.107 -8.174 941 HG22 VAL 120 1HG2 VAL 120 -5.820 3.800 -9.148 942 HG23 VAL 120 2HG2 VAL 120 -6.745 5.281 -8.899 943 H HIS 121 H HIS 121 -9.276 1.137 -7.088 944 HA HIS 121 HA HIS 121 -10.736 1.922 -4.801 945 HB2 HIS 121 1HB HIS 121 -10.056 -0.926 -5.523 946 HB3 HIS 121 2HB HIS 121 -11.482 -0.331 -4.678 947 HD1 HIS 121 1HD HIS 121 -11.350 -2.040 -7.413 948 HD2 HIS 121 2HD HIS 121 -12.179 2.011 -7.008 949 HE1 HIS 121 1HE HIS 121 -12.654 -1.412 -9.470 950 H PHE 122 H PHE 122 -9.321 2.782 -3.279 951 HA PHE 122 HA PHE 122 -7.079 1.274 -2.302 952 HB2 PHE 122 1HB PHE 122 -8.391 3.844 -1.428 953 HB3 PHE 122 2HB PHE 122 -7.057 3.123 -0.533 954 HD1 PHE 122 2HD PHE 122 -5.159 2.256 -2.413 955 HD2 PHE 122 1HD PHE 122 -7.708 5.657 -2.641 956 HE1 PHE 122 2HE PHE 122 -3.554 3.354 -3.920 957 HE2 PHE 122 1HE PHE 122 -6.107 6.760 -4.149 958 HZ PHE 122 HZ PHE 122 -4.026 5.609 -4.790 959 H LYS 123 H LYS 123 -7.394 -0.492 -1.120 960 HA LYS 123 HA LYS 123 -9.401 -0.386 1.033 961 HB2 LYS 123 1HB LYS 123 -9.183 -2.245 -1.158 962 HB3 LYS 123 2HB LYS 123 -8.979 -3.092 0.370 963 HG2 LYS 123 1HG LYS 123 -11.115 -1.685 1.029 964 HG3 LYS 123 2HG LYS 123 -11.351 -1.683 -0.720 965 HD2 LYS 123 1HD LYS 123 -10.784 -4.218 0.785 966 HD3 LYS 123 2HD LYS 123 -12.423 -3.580 0.638 967 HE2 LYS 123 1HE LYS 123 -10.879 -3.737 -1.867 968 HE3 LYS 123 2HE LYS 123 -11.294 -5.283 -1.129 969 HZ1 LYS 123 3HZ LYS 123 -12.980 -4.512 -2.708 970 HZ2 LYS 123 1HZ LYS 123 -13.238 -3.130 -1.766 971 HZ3 LYS 123 2HZ LYS 123 -13.606 -4.659 -1.143 972 H PHE 124 H PHE 124 -8.942 -2.152 2.719 973 HA PHE 124 HA PHE 124 -6.115 -2.746 3.056 974 HB2 PHE 124 1HB PHE 124 -7.627 -1.218 5.182 975 HB3 PHE 124 2HB PHE 124 -5.935 -1.701 5.227 976 HD1 PHE 124 1HD PHE 124 -4.290 -0.588 3.775 977 HD2 PHE 124 2HD PHE 124 -8.334 0.722 4.002 978 HE1 PHE 124 1HE PHE 124 -3.650 1.554 2.748 979 HE2 PHE 124 2HE PHE 124 -7.701 2.865 2.975 980 HZ PHE 124 HZ PHE 124 -5.357 3.284 2.345 981 H ARG 125 H ARG 125 -5.743 -4.565 4.239 982 HA ARG 125 HA ARG 125 -8.007 -5.769 5.668 983 HB2 ARG 125 1HB ARG 125 -7.545 -7.946 4.689 984 HB3 ARG 125 2HB ARG 125 -7.891 -6.777 3.422 985 HG2 ARG 125 1HG ARG 125 -6.063 -7.610 2.448 986 HG3 ARG 125 2HG ARG 125 -5.186 -6.595 3.595 987 HD2 ARG 125 1HD ARG 125 -4.283 -8.396 4.526 988 HD3 ARG 125 2HD ARG 125 -5.887 -9.029 4.892 989 HE ARG 125 HE ARG 125 -4.154 -9.823 2.732 990 HH11 ARG 125 1HH1 ARG 125 -7.425 -9.731 3.919 991 HH12 ARG 125 2HH1 ARG 125 -7.955 -11.061 2.944 992 HH21 ARG 125 1HH2 ARG 125 -4.839 -11.575 1.442 993 HH22 ARG 125 2HH2 ARG 125 -6.483 -12.110 1.535 994 H ASP 126 H ASP 126 -7.480 -6.957 7.468 995 HA ASP 126 HA ASP 126 -4.948 -6.419 8.664 996 HB2 ASP 126 1HB ASP 126 -6.949 -8.438 9.666 997 HB3 ASP 126 2HB ASP 126 -5.800 -7.483 10.600 998 H ARG 127 H ARG 127 -4.232 -8.675 10.010 999 HA ARG 127 HA ARG 127 -2.883 -10.162 7.947 1000 HB2 ARG 127 1HB ARG 127 -2.813 -10.817 10.881 1001 HB3 ARG 127 2HB ARG 127 -1.572 -11.092 9.667 1002 HG2 ARG 127 1HG ARG 127 -2.388 -8.481 10.909 1003 HG3 ARG 127 2HG ARG 127 -0.833 -9.307 11.033 1004 HD2 ARG 127 1HD ARG 127 -2.017 -7.856 8.691 1005 HD3 ARG 127 2HD ARG 127 -0.460 -7.602 9.478 1006 HE ARG 127 HE ARG 127 -1.082 -9.537 7.433 1007 HH11 ARG 127 1HH1 ARG 127 1.094 -8.643 9.999 1008 HH12 ARG 127 2HH1 ARG 127 2.420 -9.565 9.372 1009 HH21 ARG 127 1HH2 ARG 127 0.656 -10.754 6.597 1010 HH22 ARG 127 2HH2 ARG 127 2.170 -10.764 7.436 1011 H LEU 128 H LEU 128 -2.667 -12.692 8.941 1012 HA LEU 128 HA LEU 128 -4.930 -13.973 7.929 1013 HB2 LEU 128 1HB LEU 128 -3.014 -15.185 9.906 1014 HB3 LEU 128 2HB LEU 128 -3.957 -16.012 8.668 1015 HG LEU 128 HG LEU 128 -2.372 -14.232 7.242 1016 HD11 LEU 128 1HD1 LEU 128 -0.955 -13.729 9.076 1017 HD12 LEU 128 2HD1 LEU 128 -0.082 -14.868 8.053 1018 HD13 LEU 128 3HD1 LEU 128 -0.843 -15.426 9.543 1019 HD21 LEU 128 3HD2 LEU 128 -2.993 -16.520 6.615 1020 HD22 LEU 128 1HD2 LEU 128 -1.884 -17.149 7.834 1021 HD23 LEU 128 2HD2 LEU 128 -1.257 -16.244 6.456 1022 H LEU 129 H LEU 129 -5.820 -15.909 9.520 1023 HA LEU 129 HA LEU 129 -7.307 -16.424 11.161 1024 HB2 LEU 129 1HB LEU 129 -5.233 -15.106 12.428 1025 HB3 LEU 129 2HB LEU 129 -6.672 -14.265 13.000 1026 HG LEU 129 HG LEU 129 -7.564 -16.588 13.606 1027 HD11 LEU 129 1HD1 LEU 129 -4.636 -17.246 13.312 1028 HD12 LEU 129 2HD1 LEU 129 -5.948 -17.886 12.322 1029 HD13 LEU 129 3HD1 LEU 129 -5.863 -18.284 14.038 1030 HD21 LEU 129 3HD2 LEU 129 -6.977 -16.104 15.709 1031 HD22 LEU 129 1HD2 LEU 129 -6.166 -14.702 15.012 1032 HD23 LEU 129 2HD2 LEU 129 -5.253 -16.174 15.344 1033 H SER 130 H SER 130 -7.842 -14.319 9.116 1034 HA SER 130 HA SER 130 -10.164 -13.113 10.460 1035 HB2 SER 130 1HB SER 130 -7.991 -11.768 8.983 1036 HB3 SER 130 2HB SER 130 -9.620 -11.263 8.536 1037 HG SER 130 HG SER 130 -9.225 -9.997 10.224 1038 H LEU 131 H LEU 131 -12.052 -13.157 9.337 1039 HA LEU 131 HA LEU 131 -12.061 -13.828 6.511 1040 HB2 LEU 131 1HB LEU 131 -13.847 -15.635 7.126 1041 HB3 LEU 131 2HB LEU 131 -12.128 -16.023 7.135 1042 HG LEU 131 HG LEU 131 -13.328 -15.131 9.697 1043 HD11 LEU 131 1HD1 LEU 131 -14.826 -16.751 9.901 1044 HD12 LEU 131 2HD1 LEU 131 -13.634 -17.967 9.446 1045 HD13 LEU 131 3HD1 LEU 131 -14.579 -17.151 8.201 1046 HD21 LEU 131 3HD2 LEU 131 -11.567 -16.211 10.600 1047 HD22 LEU 131 1HD2 LEU 131 -10.893 -16.031 8.980 1048 HD23 LEU 131 2HD2 LEU 131 -11.659 -17.548 9.452 1049 H ASP 132 H ASP 132 -12.915 -11.630 8.361 1050 HA ASP 132 HA ASP 132 -15.780 -11.582 7.674 1051 HB2 ASP 132 1HB ASP 132 -14.418 -11.008 10.127 1052 HB3 ASP 132 2HB ASP 132 -15.185 -9.533 9.545 1053 H GLU 133 H GLU 133 -16.410 -9.001 7.822 1054 HA GLU 133 HA GLU 133 -15.655 -7.915 5.402 1055 HB2 GLU 133 1HB GLU 133 -16.431 -5.700 6.438 1056 HB3 GLU 133 2HB GLU 133 -17.590 -7.021 6.378 1057 HG2 GLU 133 1HG GLU 133 -15.999 -6.917 8.832 1058 HG3 GLU 133 2HG GLU 133 -17.044 -5.521 8.572 1059 HA PRO 134 HA PRO 134 -11.685 -6.106 5.867 1060 HB2 PRO 134 1HB PRO 134 -11.919 -3.866 4.351 1061 HB3 PRO 134 2HB PRO 134 -11.829 -5.490 3.659 1062 HG2 PRO 134 1HG PRO 134 -14.231 -3.774 4.157 1063 HG3 PRO 134 2HG PRO 134 -13.841 -4.770 2.743 1064 HD2 PRO 134 1HD PRO 134 -15.568 -5.581 4.664 1065 HD3 PRO 134 2HD PRO 134 -14.543 -6.715 3.761 1066 H ILE 135 H ILE 135 -10.589 -3.920 6.343 1067 HA ILE 135 HA ILE 135 -11.879 -2.812 8.701 1068 HB ILE 135 HB ILE 135 -9.486 -3.504 8.755 1069 HG12 ILE 135 1HG1 ILE 135 -8.950 -0.806 9.401 1070 HG13 ILE 135 2HG1 ILE 135 -10.665 -1.060 9.708 1071 HG21 ILE 135 1HG2 ILE 135 -9.251 -2.324 6.354 1072 HG22 ILE 135 2HG2 ILE 135 -8.640 -1.032 7.386 1073 HG23 ILE 135 3HG2 ILE 135 -7.883 -2.624 7.427 1074 HD11 ILE 135 3HD1 ILE 135 -8.409 -2.700 10.835 1075 HD12 ILE 135 1HD1 ILE 135 -9.337 -1.473 11.696 1076 HD13 ILE 135 2HD1 ILE 135 -10.126 -2.953 11.146 1077 H ALA 136 H ALA 136 -10.988 -1.867 5.463 1078 HA ALA 136 HA ALA 136 -12.661 0.458 5.611 1079 HB1 ALA 136 1HB ALA 136 -10.122 1.446 4.689 1080 HB2 ALA 136 2HB ALA 136 -11.173 2.069 5.961 1081 HB3 ALA 136 3HB ALA 136 -9.984 0.820 6.333 1082 H SER 137 H SER 137 -12.710 1.636 3.506 1083 HA SER 137 HA SER 137 -11.513 0.590 1.179 1084 HB2 SER 137 1HB SER 137 -13.295 -0.644 0.172 1085 HB3 SER 137 2HB SER 137 -13.078 -1.309 1.791 1086 HG SER 137 HG SER 137 -15.175 -0.969 1.834 1087 H GLU 138 H GLU 138 -11.755 1.990 -0.482 1088 HA GLU 138 HA GLU 138 -14.003 3.570 -1.009 1089 HB2 GLU 138 1HB GLU 138 -13.572 4.785 0.997 1090 HB3 GLU 138 2HB GLU 138 -11.855 4.900 0.636 1091 HG2 GLU 138 1HG GLU 138 -12.278 6.417 -1.172 1092 HG3 GLU 138 2HG GLU 138 -14.019 6.208 -0.993 1093 H GLU 139 H GLU 139 -13.838 4.487 -2.993 1094 HA GLU 139 HA GLU 139 -11.374 4.013 -4.451 1095 HB2 GLU 139 1HB GLU 139 -13.909 5.220 -5.547 1096 HB3 GLU 139 2HB GLU 139 -12.635 4.392 -6.430 1097 HG2 GLU 139 1HG GLU 139 -14.194 2.745 -6.370 1098 HG3 GLU 139 2HG GLU 139 -13.325 2.383 -4.879 1099 H ILE 140 H ILE 140 -10.228 5.598 -5.605 1100 HA ILE 140 HA ILE 140 -10.888 8.396 -5.161 1101 HB ILE 140 HB ILE 140 -8.246 7.242 -4.261 1102 HG12 ILE 140 1HG1 ILE 140 -10.505 8.499 -2.687 1103 HG13 ILE 140 2HG1 ILE 140 -10.059 6.796 -2.673 1104 HG21 ILE 140 1HG2 ILE 140 -7.725 9.527 -3.552 1105 HG22 ILE 140 2HG2 ILE 140 -7.987 9.431 -5.292 1106 HG23 ILE 140 3HG2 ILE 140 -9.246 10.087 -4.246 1107 HD11 ILE 140 3HD1 ILE 140 -9.015 7.471 -0.782 1108 HD12 ILE 140 1HD1 ILE 140 -7.725 7.798 -1.939 1109 HD13 ILE 140 2HD1 ILE 140 -8.757 9.112 -1.373 1110 H THR 141 H THR 141 -10.011 9.780 -6.675 1111 HA THR 141 HA THR 141 -8.653 8.463 -8.928 1112 HB THR 141 HB THR 141 -9.879 11.168 -9.218 1113 HG1 THR 141 1HG THR 141 -11.861 9.845 -9.812 1114 HG21 THR 141 3HG2 THR 141 -9.295 10.706 -11.321 1115 HG22 THR 141 1HG2 THR 141 -10.559 9.477 -11.333 1116 HG23 THR 141 2HG2 THR 141 -8.905 9.037 -10.908 1117 H ILE 142 H ILE 142 -6.511 8.713 -8.664 1118 HA ILE 142 HA ILE 142 -5.472 11.310 -7.789 1119 HB ILE 142 HB ILE 142 -3.914 8.761 -8.210 1120 HG12 ILE 142 1HG1 ILE 142 -5.123 9.855 -5.660 1121 HG13 ILE 142 2HG1 ILE 142 -5.664 8.416 -6.518 1122 HG21 ILE 142 1HG2 ILE 142 -2.829 10.484 -6.229 1123 HG22 ILE 142 2HG2 ILE 142 -2.131 10.006 -7.775 1124 HG23 ILE 142 3HG2 ILE 142 -3.155 11.438 -7.676 1125 HD11 ILE 142 3HD1 ILE 142 -3.356 7.478 -6.142 1126 HD12 ILE 142 1HD1 ILE 142 -3.082 8.833 -5.047 1127 HD13 ILE 142 2HD1 ILE 142 -4.363 7.669 -4.706 1128 H THR 143 H THR 143 -4.575 12.692 -9.169 1129 HA THR 143 HA THR 143 -3.036 11.939 -11.421 1130 HB THR 143 HB THR 143 -4.888 13.308 -12.909 1131 HG1 THR 143 1HG THR 143 -6.406 11.364 -11.525 1132 HG21 THR 143 3HG2 THR 143 -5.137 10.346 -12.803 1133 HG22 THR 143 1HG2 THR 143 -3.555 11.029 -13.178 1134 HG23 THR 143 2HG2 THR 143 -4.945 11.415 -14.192 Start of MODEL 4 1 H1 MET 1 H MET 1 -26.509 -2.298 11.686 2 HA MET 1 HA MET 1 -25.539 0.448 11.956 3 HB2 MET 1 1HB MET 1 -27.935 -0.935 12.719 4 HB3 MET 1 2HB MET 1 -27.180 -0.248 14.151 5 HG2 MET 1 1HG MET 1 -27.901 1.772 13.624 6 HG3 MET 1 2HG MET 1 -27.147 1.673 12.035 7 HE1 MET 1 3HE MET 1 -29.372 3.307 12.789 8 HE2 MET 1 1HE MET 1 -29.908 3.255 11.109 9 HE3 MET 1 2HE MET 1 -31.021 2.810 12.403 10 H ASP 2 H ASP 2 -25.146 -2.725 13.293 11 HA ASP 2 HA ASP 2 -23.105 -1.661 15.116 12 HB2 ASP 2 1HB ASP 2 -25.307 -2.266 16.288 13 HB3 ASP 2 2HB ASP 2 -24.904 -3.940 15.920 14 H GLU 3 H GLU 3 -21.624 -2.319 13.460 15 HA GLU 3 HA GLU 3 -21.150 -5.226 13.459 16 HB2 GLU 3 1HB GLU 3 -20.195 -4.932 11.158 17 HB3 GLU 3 2HB GLU 3 -21.932 -4.685 11.267 18 HG2 GLU 3 1HG GLU 3 -21.409 -2.205 11.454 19 HG3 GLU 3 2HG GLU 3 -19.776 -2.628 10.943 20 H VAL 4 H VAL 4 -19.466 -5.481 14.790 21 HA VAL 4 HA VAL 4 -17.519 -3.646 15.464 22 HB VAL 4 HB VAL 4 -16.082 -5.660 16.027 23 HG11 VAL 4 1HG1 VAL 4 -17.347 -4.785 17.784 24 HG12 VAL 4 2HG1 VAL 4 -18.875 -5.292 17.060 25 HG13 VAL 4 3HG1 VAL 4 -17.786 -6.492 17.756 26 HG21 VAL 4 3HG2 VAL 4 -16.724 -7.788 15.549 27 HG22 VAL 4 1HG2 VAL 4 -18.443 -7.394 15.584 28 HG23 VAL 4 2HG2 VAL 4 -17.472 -6.979 14.172 29 H LEU 5 H LEU 5 -15.141 -3.822 14.989 30 HA LEU 5 HA LEU 5 -14.656 -4.443 12.154 31 HB2 LEU 5 1HB LEU 5 -13.546 -2.066 13.636 32 HB3 LEU 5 2HB LEU 5 -13.296 -2.461 11.936 33 HG LEU 5 HG LEU 5 -16.024 -2.273 12.091 34 HD11 LEU 5 1HD1 LEU 5 -15.263 -1.227 14.478 35 HD12 LEU 5 2HD1 LEU 5 -16.735 -0.788 13.611 36 HD13 LEU 5 3HD1 LEU 5 -15.291 0.213 13.459 37 HD21 LEU 5 3HD2 LEU 5 -15.779 -0.355 10.761 38 HD22 LEU 5 1HD2 LEU 5 -14.325 -1.306 10.456 39 HD23 LEU 5 2HD2 LEU 5 -14.255 0.090 11.532 40 H ALA 6 H ALA 6 -13.062 -5.849 11.893 41 HA ALA 6 HA ALA 6 -11.204 -7.114 12.251 42 HB1 ALA 6 1HB ALA 6 -9.713 -5.413 12.079 43 HB2 ALA 6 2HB ALA 6 -10.475 -4.466 13.358 44 HB3 ALA 6 3HB ALA 6 -9.433 -5.828 13.770 45 H THR 7 H THR 7 -13.495 -7.015 14.244 46 HA THR 7 HA THR 7 -14.086 -8.112 16.150 47 HB THR 7 HB THR 7 -11.490 -9.389 16.663 48 HG1 THR 7 1HG THR 7 -12.861 -10.068 14.266 49 HG21 THR 7 3HG2 THR 7 -13.258 -10.394 17.763 50 HG22 THR 7 1HG2 THR 7 -13.107 -11.417 16.335 51 HG23 THR 7 2HG2 THR 7 -14.362 -10.180 16.405 52 H SER 8 H SER 8 -13.040 -5.499 16.373 53 HA SER 8 HA SER 8 -12.380 -4.002 17.953 54 HB2 SER 8 1HB SER 8 -13.665 -6.028 19.349 55 HB3 SER 8 2HB SER 8 -12.140 -5.834 20.212 56 HG SER 8 HG SER 8 -14.280 -4.096 19.971 57 H ILE 9 H ILE 9 -10.404 -5.454 16.438 58 HA ILE 9 HA ILE 9 -8.179 -5.659 18.345 59 HB ILE 9 HB ILE 9 -8.377 -6.600 15.483 60 HG12 ILE 9 1HG1 ILE 9 -9.658 -7.959 17.081 61 HG13 ILE 9 2HG1 ILE 9 -8.269 -8.846 16.463 62 HG21 ILE 9 1HG2 ILE 9 -6.160 -7.757 16.743 63 HG22 ILE 9 2HG2 ILE 9 -6.158 -6.570 15.439 64 HG23 ILE 9 3HG2 ILE 9 -6.086 -6.035 17.118 65 HD11 ILE 9 3HD1 ILE 9 -7.597 -9.228 18.528 66 HD12 ILE 9 1HD1 ILE 9 -7.467 -7.494 18.820 67 HD13 ILE 9 2HD1 ILE 9 -8.984 -8.332 19.147 68 H GLY 10 H GLY 10 -8.291 -4.743 14.908 69 HA2 GLY 10 1HA GLY 10 -6.607 -2.418 15.588 70 HA3 GLY 10 2HA GLY 10 -6.608 -3.237 14.033 71 H THR 11 H THR 11 -6.816 -0.846 13.454 72 HA THR 11 HA THR 11 -9.530 -0.389 12.650 73 HB THR 11 HB THR 11 -9.293 2.060 13.691 74 HG1 THR 11 1HG THR 11 -7.822 2.114 15.200 75 HG21 THR 11 3HG2 THR 11 -11.056 0.156 13.999 76 HG22 THR 11 1HG2 THR 11 -10.982 1.479 15.161 77 HG23 THR 11 2HG2 THR 11 -10.250 -0.078 15.550 78 H TYR 12 H TYR 12 -9.564 0.675 10.761 79 HA TYR 12 HA TYR 12 -7.107 2.086 9.945 80 HB2 TYR 12 1HB TYR 12 -9.066 0.670 8.129 81 HB3 TYR 12 2HB TYR 12 -7.527 1.389 7.668 82 HD1 TYR 12 1HD TYR 12 -6.079 0.316 10.226 83 HD2 TYR 12 2HD TYR 12 -8.500 -1.507 7.239 84 HE1 TYR 12 1HE TYR 12 -4.953 -1.833 10.632 85 HE2 TYR 12 2HE TYR 12 -7.381 -3.660 7.638 86 HH TYR 12 HH TYR 12 -5.862 -4.755 8.825 87 H GLU 13 H GLU 13 -7.817 4.113 10.635 88 HA GLU 13 HA GLU 13 -9.398 5.549 8.755 89 HB2 GLU 13 1HB GLU 13 -11.271 6.154 10.082 90 HB3 GLU 13 2HB GLU 13 -11.148 4.402 10.171 91 HG2 GLU 13 1HG GLU 13 -9.722 4.998 12.328 92 HG3 GLU 13 2HG GLU 13 -10.725 6.446 12.269 93 H ASN 14 H ASN 14 -9.926 7.848 9.835 94 HA ASN 14 HA ASN 14 -9.026 9.813 10.542 95 HB2 ASN 14 1HB ASN 14 -7.564 8.118 12.576 96 HB3 ASN 14 2HB ASN 14 -7.932 9.836 12.698 97 HD21 ASN 14 1HD2 ASN 14 -8.668 7.344 14.271 98 HD22 ASN 14 2HD2 ASN 14 -10.379 7.473 14.469 99 H ARG 15 H ARG 15 -7.593 8.111 8.558 100 HA ARG 15 HA ARG 15 -5.701 8.234 7.301 101 HB2 ARG 15 1HB ARG 15 -6.106 10.773 8.118 102 HB3 ARG 15 2HB ARG 15 -4.533 10.474 8.846 103 HG2 ARG 15 1HG ARG 15 -4.015 11.392 6.783 104 HG3 ARG 15 2HG ARG 15 -3.835 9.657 6.514 105 HD2 ARG 15 1HD ARG 15 -5.033 10.432 4.653 106 HD3 ARG 15 2HD ARG 15 -6.249 9.702 5.701 107 HE ARG 15 HE ARG 15 -7.222 11.756 5.932 108 HH11 ARG 15 1HH1 ARG 15 -3.982 12.171 4.727 109 HH12 ARG 15 2HH1 ARG 15 -4.161 13.873 4.457 110 HH21 ARG 15 1HH2 ARG 15 -7.470 13.996 5.580 111 HH22 ARG 15 2HH2 ARG 15 -6.145 14.910 4.943 112 H THR 16 H THR 16 -5.654 6.400 9.312 113 HA THR 16 HA THR 16 -2.832 6.094 9.749 114 HB THR 16 HB THR 16 -4.635 6.418 12.156 115 HG1 THR 16 1HG THR 16 -2.648 8.000 10.947 116 HG21 THR 16 3HG2 THR 16 -2.130 6.233 13.152 117 HG22 THR 16 1HG2 THR 16 -2.007 5.131 11.782 118 HG23 THR 16 2HG2 THR 16 -3.235 4.865 13.020 119 H LEU 17 H LEU 17 -2.248 3.977 10.213 120 HA LEU 17 HA LEU 17 -4.466 2.036 10.217 121 HB2 LEU 17 1HB LEU 17 -2.348 2.344 8.396 122 HB3 LEU 17 2HB LEU 17 -1.982 0.899 9.335 123 HG LEU 17 HG LEU 17 -4.049 -0.129 8.660 124 HD11 LEU 17 1HD1 LEU 17 -5.488 1.065 6.961 125 HD12 LEU 17 2HD1 LEU 17 -4.634 2.541 7.408 126 HD13 LEU 17 3HD1 LEU 17 -5.577 1.669 8.616 127 HD21 LEU 17 3HD2 LEU 17 -3.359 -0.709 6.585 128 HD22 LEU 17 1HD2 LEU 17 -1.934 0.219 7.053 129 HD23 LEU 17 2HD2 LEU 17 -3.182 0.964 6.054 130 H LEU 18 H LEU 18 -4.564 0.642 11.858 131 HA LEU 18 HA LEU 18 -2.176 0.314 13.553 132 HB2 LEU 18 1HB LEU 18 -4.331 1.650 14.366 133 HB3 LEU 18 2HB LEU 18 -4.876 0.017 14.745 134 HG LEU 18 HG LEU 18 -2.511 1.490 15.885 135 HD11 LEU 18 1HD1 LEU 18 -3.699 0.869 18.018 136 HD12 LEU 18 2HD1 LEU 18 -5.067 0.383 17.018 137 HD13 LEU 18 3HD1 LEU 18 -4.516 2.058 17.004 138 HD21 LEU 18 3HD2 LEU 18 -1.638 -0.656 15.585 139 HD22 LEU 18 1HD2 LEU 18 -3.182 -1.434 15.939 140 HD23 LEU 18 2HD2 LEU 18 -2.260 -0.673 17.236 141 H VAL 19 H VAL 19 -1.516 -1.714 13.825 142 HA VAL 19 HA VAL 19 -3.410 -3.916 13.773 143 HB VAL 19 HB VAL 19 -2.100 -5.197 12.108 144 HG11 VAL 19 1HG1 VAL 19 -4.157 -3.937 11.506 145 HG12 VAL 19 2HG1 VAL 19 -3.134 -2.595 10.990 146 HG13 VAL 19 3HG1 VAL 19 -3.037 -4.149 10.161 147 HG21 VAL 19 3HG2 VAL 19 -0.048 -4.472 11.624 148 HG22 VAL 19 1HG2 VAL 19 -0.812 -3.225 10.637 149 HG23 VAL 19 2HG2 VAL 19 -0.374 -2.881 12.310 150 HA PRO 20 HA PRO 20 -0.670 -5.608 16.760 151 HB2 PRO 20 1HB PRO 20 -1.125 -8.263 16.421 152 HB3 PRO 20 2HB PRO 20 -2.297 -7.176 17.178 153 HG2 PRO 20 1HG PRO 20 -2.208 -8.207 14.368 154 HG3 PRO 20 2HG PRO 20 -3.599 -8.041 15.456 155 HD2 PRO 20 1HD PRO 20 -3.062 -6.253 13.495 156 HD3 PRO 20 2HD PRO 20 -3.824 -5.787 15.029 157 H ASP 21 H ASP 21 -0.217 -6.069 13.443 158 HA ASP 21 HA ASP 21 2.234 -7.630 13.793 159 HB2 ASP 21 1HB ASP 21 0.444 -7.014 11.490 160 HB3 ASP 21 2HB ASP 21 2.146 -7.319 11.150 161 H GLY 22 H GLY 22 1.127 -4.418 13.182 162 HA2 GLY 22 1HA GLY 22 3.752 -3.344 13.491 163 HA3 GLY 22 2HA GLY 22 3.223 -3.254 11.818 164 H ARG 23 H ARG 23 2.855 -1.132 11.529 165 HA ARG 23 HA ARG 23 0.519 0.047 12.572 166 HB2 ARG 23 1HB ARG 23 2.398 0.161 14.468 167 HB3 ARG 23 2HB ARG 23 2.867 1.587 13.553 168 HG2 ARG 23 1HG ARG 23 0.058 1.144 14.513 169 HG3 ARG 23 2HG ARG 23 1.287 1.945 15.493 170 HD2 ARG 23 1HD ARG 23 1.378 3.128 12.936 171 HD3 ARG 23 2HD ARG 23 -0.324 3.013 13.383 172 HE ARG 23 HE ARG 23 1.598 4.791 14.473 173 HH11 ARG 23 1HH1 ARG 23 -1.175 2.866 15.325 174 HH12 ARG 23 2HH1 ARG 23 -1.638 3.883 16.648 175 HH21 ARG 23 1HH2 ARG 23 0.998 6.138 16.213 176 HH22 ARG 23 2HH2 ARG 23 -0.402 5.745 17.152 177 H LEU 24 H LEU 24 0.102 0.588 10.463 178 HA LEU 24 HA LEU 24 2.033 2.227 9.013 179 HB2 LEU 24 1HB LEU 24 -0.368 0.638 8.292 180 HB3 LEU 24 2HB LEU 24 0.027 2.027 7.280 181 HG LEU 24 HG LEU 24 2.430 0.677 7.489 182 HD11 LEU 24 1HD1 LEU 24 0.436 -1.428 6.790 183 HD12 LEU 24 2HD1 LEU 24 0.878 -1.175 8.478 184 HD13 LEU 24 3HD1 LEU 24 2.118 -1.592 7.295 185 HD21 LEU 24 3HD2 LEU 24 0.282 0.882 5.422 186 HD22 LEU 24 1HD2 LEU 24 1.693 -0.134 5.126 187 HD23 LEU 24 2HD2 LEU 24 1.899 1.589 5.438 188 H ALA 25 H ALA 25 0.907 4.009 7.615 189 HA ALA 25 HA ALA 25 -1.353 5.352 8.639 190 HB1 ALA 25 1HB ALA 25 -0.321 7.252 9.727 191 HB2 ALA 25 2HB ALA 25 0.153 5.761 10.544 192 HB3 ALA 25 3HB ALA 25 1.283 6.568 9.456 193 H LEU 26 H LEU 26 -2.077 6.756 7.148 194 HA LEU 26 HA LEU 26 -0.482 7.159 4.767 195 HB2 LEU 26 1HB LEU 26 -3.274 8.104 5.398 196 HB3 LEU 26 2HB LEU 26 -2.502 8.114 3.814 197 HG LEU 26 HG LEU 26 -3.910 6.279 3.699 198 HD11 LEU 26 1HD1 LEU 26 -2.486 4.583 3.234 199 HD12 LEU 26 2HD1 LEU 26 -1.653 4.706 4.783 200 HD13 LEU 26 3HD1 LEU 26 -1.283 5.847 3.491 201 HD21 LEU 26 3HD2 LEU 26 -3.074 5.075 6.287 202 HD22 LEU 26 1HD2 LEU 26 -4.609 4.959 5.427 203 HD23 LEU 26 2HD2 LEU 26 -4.206 6.428 6.316 204 H THR 27 H THR 27 1.043 8.691 4.966 205 HA THR 27 HA THR 27 0.696 11.059 6.529 206 HB THR 27 HB THR 27 2.845 11.773 5.317 207 HG1 THR 27 1HG THR 27 3.884 9.733 4.454 208 HG21 THR 27 3HG2 THR 27 2.546 10.510 7.579 209 HG22 THR 27 1HG2 THR 27 4.145 10.606 6.840 210 HG23 THR 27 2HG2 THR 27 3.188 9.132 6.684 211 H ALA 28 H ALA 28 1.106 10.556 3.018 212 HA ALA 28 HA ALA 28 -0.962 12.254 2.229 213 HB1 ALA 28 1HB ALA 28 -0.160 14.334 2.194 214 HB2 ALA 28 2HB ALA 28 1.118 13.744 3.257 215 HB3 ALA 28 3HB ALA 28 1.383 13.814 1.515 216 H LEU 29 H LEU 29 -1.320 10.802 0.612 217 HA LEU 29 HA LEU 29 0.604 9.618 -1.027 218 HB2 LEU 29 1HB LEU 29 -2.241 10.270 -1.774 219 HB3 LEU 29 2HB LEU 29 -1.215 9.036 -2.503 220 HG LEU 29 HG LEU 29 -1.665 8.751 0.394 221 HD11 LEU 29 1HD1 LEU 29 -3.870 9.571 -0.607 222 HD12 LEU 29 2HD1 LEU 29 -3.895 8.064 0.307 223 HD13 LEU 29 3HD1 LEU 29 -3.911 8.026 -1.455 224 HD21 LEU 29 3HD2 LEU 29 -0.818 6.785 -0.200 225 HD22 LEU 29 1HD2 LEU 29 -1.011 7.153 -1.914 226 HD23 LEU 29 2HD2 LEU 29 -2.347 6.440 -1.010 227 H HIS 30 H HIS 30 1.601 10.193 -2.886 228 HA HIS 30 HA HIS 30 0.916 12.812 -4.047 229 HB2 HIS 30 1HB HIS 30 3.680 11.674 -3.583 230 HB3 HIS 30 2HB HIS 30 3.342 13.142 -4.497 231 HD1 HIS 30 1HD HIS 30 1.354 14.527 -2.645 232 HD2 HIS 30 2HD HIS 30 4.811 12.644 -1.315 233 HE1 HIS 30 1HE HIS 30 1.883 15.583 -0.425 234 H LYS 31 H LYS 31 1.378 13.065 -6.296 235 HA LYS 31 HA LYS 31 1.362 10.504 -7.740 236 HB2 LYS 31 1HB LYS 31 -0.056 13.049 -8.085 237 HB3 LYS 31 2HB LYS 31 0.620 12.407 -9.577 238 HG2 LYS 31 1HG LYS 31 -0.512 10.203 -8.900 239 HG3 LYS 31 2HG LYS 31 -1.437 11.196 -7.771 240 HD2 LYS 31 1HD LYS 31 -2.749 11.054 -9.730 241 HD3 LYS 31 2HD LYS 31 -2.020 12.662 -9.757 242 HE2 LYS 31 1HE LYS 31 -0.145 11.400 -11.123 243 HE3 LYS 31 2HE LYS 31 -1.470 10.289 -11.467 244 HZ1 LYS 31 3HZ LYS 31 -2.022 13.128 -11.808 245 HZ2 LYS 31 1HZ LYS 31 -2.538 11.806 -12.729 246 HZ3 LYS 31 2HZ LYS 31 -0.977 12.423 -12.937 247 H GLY 32 H GLY 32 2.833 10.071 -9.318 248 HA2 GLY 32 1HA GLY 32 4.820 12.177 -9.902 249 HA3 GLY 32 2HA GLY 32 5.305 10.527 -9.539 250 H LYS 33 H LYS 33 6.396 10.563 -11.599 251 HA LYS 33 HA LYS 33 4.548 10.002 -13.821 252 HB2 LYS 33 1HB LYS 33 5.918 11.145 -15.369 253 HB3 LYS 33 2HB LYS 33 5.760 12.231 -13.995 254 HG2 LYS 33 1HG LYS 33 7.958 11.592 -13.201 255 HG3 LYS 33 2HG LYS 33 8.117 10.430 -14.519 256 HD2 LYS 33 1HD LYS 33 9.301 12.282 -15.289 257 HD3 LYS 33 2HD LYS 33 7.724 12.459 -16.062 258 HE2 LYS 33 1HE LYS 33 7.171 14.282 -14.823 259 HE3 LYS 33 2HE LYS 33 8.068 13.729 -13.410 260 HZ1 LYS 33 3HZ LYS 33 9.713 15.071 -13.984 261 HZ2 LYS 33 1HZ LYS 33 8.861 15.583 -15.354 262 HZ3 LYS 33 2HZ LYS 33 9.902 14.253 -15.453 263 H ASP 34 H ASP 34 5.329 8.500 -15.405 264 HA ASP 34 HA ASP 34 7.535 6.798 -14.450 265 HB2 ASP 34 1HB ASP 34 6.330 4.836 -14.855 266 HB3 ASP 34 2HB ASP 34 5.126 5.902 -14.137 267 H TYR 35 H TYR 35 7.367 4.973 -16.622 268 HA TYR 35 HA TYR 35 9.073 6.132 -18.467 269 HB2 TYR 35 1HB TYR 35 8.325 4.192 -19.976 270 HB3 TYR 35 2HB TYR 35 9.031 3.782 -18.417 271 HD1 TYR 35 2HD TYR 35 5.843 4.062 -20.270 272 HD2 TYR 35 1HD TYR 35 7.790 2.589 -16.786 273 HE1 TYR 35 2HE TYR 35 3.845 2.736 -19.722 274 HE2 TYR 35 1HE TYR 35 5.798 1.258 -16.228 275 HH TYR 35 HH TYR 35 3.820 0.495 -16.995 276 H GLN 36 H GLN 36 5.562 5.944 -18.479 277 HA GLN 36 HA GLN 36 5.435 7.252 -21.085 278 HB2 GLN 36 1HB GLN 36 3.530 5.752 -19.376 279 HB3 GLN 36 2HB GLN 36 2.854 7.019 -20.390 280 HG2 GLN 36 1HG GLN 36 4.547 5.628 -22.082 281 HG3 GLN 36 2HG GLN 36 3.786 4.378 -21.099 282 HE21 GLN 36 1HE2 GLN 36 1.356 4.722 -20.827 283 HE22 GLN 36 2HE2 GLN 36 0.486 5.129 -22.263 284 H GLY 37 H GLY 37 6.324 8.524 -18.472 285 HA2 GLY 37 1HA GLY 37 5.832 10.404 -17.182 286 HA3 GLY 37 2HA GLY 37 5.745 11.101 -18.792 287 H LYS 38 H LYS 38 3.581 8.926 -16.984 288 HA LYS 38 HA LYS 38 1.583 10.923 -16.607 289 HB2 LYS 38 1HB LYS 38 1.534 9.342 -19.061 290 HB3 LYS 38 2HB LYS 38 0.051 9.189 -18.127 291 HG2 LYS 38 1HG LYS 38 -0.510 11.393 -18.394 292 HG3 LYS 38 2HG LYS 38 1.164 11.906 -18.614 293 HD2 LYS 38 1HD LYS 38 -0.409 10.279 -20.610 294 HD3 LYS 38 2HD LYS 38 -0.192 12.029 -20.691 295 HE2 LYS 38 1HE LYS 38 2.347 11.420 -20.536 296 HE3 LYS 38 2HE LYS 38 1.801 9.843 -21.104 297 HZ1 LYS 38 3HZ LYS 38 2.467 11.781 -22.751 298 HZ2 LYS 38 1HZ LYS 38 0.837 12.187 -22.550 299 HZ3 LYS 38 2HZ LYS 38 1.263 10.657 -23.132 300 HA PRO 39 HA PRO 39 -0.228 6.721 -15.140 301 HB2 PRO 39 1HB PRO 39 0.991 4.438 -15.959 302 HB3 PRO 39 2HB PRO 39 -0.295 5.225 -16.882 303 HG2 PRO 39 1HG PRO 39 2.669 5.352 -17.277 304 HG3 PRO 39 2HG PRO 39 1.386 5.178 -18.488 305 HD2 PRO 39 1HD PRO 39 2.604 7.543 -17.986 306 HD3 PRO 39 2HD PRO 39 0.904 7.432 -18.484 307 H MET 40 H MET 40 0.686 7.471 -13.187 308 HA MET 40 HA MET 40 2.508 5.649 -11.961 309 HB2 MET 40 1HB MET 40 3.802 7.602 -13.324 310 HB3 MET 40 2HB MET 40 3.599 8.387 -11.763 311 HG2 MET 40 1HG MET 40 4.649 5.610 -11.818 312 HG3 MET 40 2HG MET 40 5.713 6.924 -12.316 313 HE1 MET 40 3HE MET 40 5.081 5.487 -8.202 314 HE2 MET 40 1HE MET 40 4.274 4.875 -9.646 315 HE3 MET 40 2HE MET 40 6.035 4.868 -9.551 316 H PHE 41 H PHE 41 2.695 5.972 -9.679 317 HA PHE 41 HA PHE 41 1.294 8.138 -8.411 318 HB2 PHE 41 1HB PHE 41 -0.713 7.053 -8.656 319 HB3 PHE 41 2HB PHE 41 0.035 5.460 -8.722 320 HD1 PHE 41 1HD PHE 41 -1.262 8.089 -6.541 321 HD2 PHE 41 2HD PHE 41 0.519 4.226 -6.704 322 HE1 PHE 41 1HE PHE 41 -1.871 7.713 -4.187 323 HE2 PHE 41 2HE PHE 41 -0.088 3.844 -4.351 324 HZ PHE 41 HZ PHE 41 -1.285 5.588 -3.089 325 H TYR 42 H TYR 42 1.748 8.308 -6.216 326 HA TYR 42 HA TYR 42 3.611 6.297 -5.136 327 HB2 TYR 42 1HB TYR 42 3.812 9.300 -5.093 328 HB3 TYR 42 2HB TYR 42 4.656 8.307 -3.910 329 HD1 TYR 42 2HD TYR 42 5.717 6.093 -5.351 330 HD2 TYR 42 1HD TYR 42 5.301 10.125 -6.646 331 HE1 TYR 42 2HE TYR 42 7.567 5.768 -6.939 332 HE2 TYR 42 1HE TYR 42 7.149 9.810 -8.239 333 HH TYR 42 HH TYR 42 8.762 6.665 -8.582 334 H VAL 43 H VAL 43 3.128 5.527 -3.178 335 HA VAL 43 HA VAL 43 0.928 6.808 -1.705 336 HB VAL 43 HB VAL 43 0.312 4.589 -2.235 337 HG11 VAL 43 1HG1 VAL 43 2.991 3.690 -1.181 338 HG12 VAL 43 2HG1 VAL 43 1.713 2.641 -1.799 339 HG13 VAL 43 3HG1 VAL 43 2.527 3.774 -2.880 340 HG21 VAL 43 3HG2 VAL 43 -0.395 4.039 -0.185 341 HG22 VAL 43 1HG2 VAL 43 1.248 3.834 0.421 342 HG23 VAL 43 2HG2 VAL 43 0.522 5.440 0.369 343 H LEU 44 H LEU 44 1.871 8.226 -0.331 344 HA LEU 44 HA LEU 44 4.299 7.601 1.081 345 HB2 LEU 44 1HB LEU 44 2.364 9.899 1.242 346 HB3 LEU 44 2HB LEU 44 3.797 9.774 2.259 347 HG LEU 44 HG LEU 44 4.235 11.275 0.429 348 HD11 LEU 44 1HD1 LEU 44 5.755 8.996 1.033 349 HD12 LEU 44 2HD1 LEU 44 6.313 10.513 0.330 350 HD13 LEU 44 3HD1 LEU 44 5.821 9.184 -0.720 351 HD21 LEU 44 3HD2 LEU 44 3.989 10.726 -1.848 352 HD22 LEU 44 1HD2 LEU 44 2.493 10.204 -1.073 353 HD23 LEU 44 2HD2 LEU 44 3.729 9.018 -1.492 354 H PHE 45 H PHE 45 3.957 5.860 2.410 355 HA PHE 45 HA PHE 45 1.964 6.230 4.549 356 HB2 PHE 45 1HB PHE 45 1.800 3.811 4.726 357 HB3 PHE 45 2HB PHE 45 1.477 4.305 3.068 358 HD1 PHE 45 1HD PHE 45 3.024 3.778 1.286 359 HD2 PHE 45 2HD PHE 45 3.798 2.581 5.297 360 HE1 PHE 45 1HE PHE 45 4.758 2.226 0.485 361 HE2 PHE 45 2HE PHE 45 5.533 1.028 4.502 362 HZ PHE 45 HZ PHE 45 6.016 0.850 2.094 363 H GLU 46 H GLU 46 2.546 5.299 6.647 364 HA GLU 46 HA GLU 46 5.457 5.374 7.101 365 HB2 GLU 46 1HB GLU 46 3.905 7.270 8.023 366 HB3 GLU 46 2HB GLU 46 3.481 6.076 9.241 367 HG2 GLU 46 1HG GLU 46 6.327 6.192 8.943 368 HG3 GLU 46 2HG GLU 46 5.681 7.808 9.219 369 H LEU 47 H LEU 47 5.304 3.030 6.682 370 HA LEU 47 HA LEU 47 3.915 1.385 8.592 371 HB2 LEU 47 1HB LEU 47 4.151 0.564 6.358 372 HB3 LEU 47 2HB LEU 47 5.901 0.763 6.416 373 HG LEU 47 HG LEU 47 4.842 -1.606 6.634 374 HD11 LEU 47 1HD1 LEU 47 6.768 -1.391 8.789 375 HD12 LEU 47 2HD1 LEU 47 7.256 -0.477 7.363 376 HD13 LEU 47 3HD1 LEU 47 6.903 -2.199 7.227 377 HD21 LEU 47 3HD2 LEU 47 3.977 -2.261 8.635 378 HD22 LEU 47 1HD2 LEU 47 3.452 -0.577 8.644 379 HD23 LEU 47 2HD2 LEU 47 4.886 -1.058 9.551 380 H THR 48 H THR 48 4.621 1.115 10.595 381 HA THR 48 HA THR 48 7.477 1.378 11.174 382 HB THR 48 HB THR 48 5.368 0.996 13.276 383 HG1 THR 48 1HG THR 48 5.341 3.407 13.250 384 HG21 THR 48 3HG2 THR 48 6.926 2.502 14.531 385 HG22 THR 48 1HG2 THR 48 8.028 2.416 13.158 386 HG23 THR 48 2HG2 THR 48 7.633 0.956 14.064 387 H ASN 49 H ASN 49 8.628 -0.434 11.087 388 HA ASN 49 HA ASN 49 7.489 -3.032 11.268 389 HB2 ASN 49 1HB ASN 49 9.573 -2.418 9.984 390 HB3 ASN 49 2HB ASN 49 10.413 -2.314 11.529 391 HD21 ASN 49 1HD2 ASN 49 11.786 -3.988 11.309 392 HD22 ASN 49 2HD2 ASN 49 11.294 -5.635 11.134 393 H THR 50 H THR 50 6.445 -3.231 13.243 394 HA THR 50 HA THR 50 7.730 -2.675 15.732 395 HB THR 50 HB THR 50 5.232 -2.682 15.362 396 HG1 THR 50 1HG THR 50 5.590 -2.665 17.469 397 HG21 THR 50 3HG2 THR 50 4.039 -4.589 15.025 398 HG22 THR 50 1HG2 THR 50 5.178 -5.591 15.922 399 HG23 THR 50 2HG2 THR 50 5.545 -5.105 14.267 400 H THR 51 H THR 51 7.847 -5.281 13.548 401 HA THR 51 HA THR 51 8.235 -7.463 15.265 402 HB THR 51 HB THR 51 9.203 -8.623 13.408 403 HG1 THR 51 1HG THR 51 10.056 -7.570 11.650 404 HG21 THR 51 3HG2 THR 51 7.565 -8.204 11.640 405 HG22 THR 51 1HG2 THR 51 7.158 -6.654 12.374 406 HG23 THR 51 2HG2 THR 51 6.803 -8.155 13.229 407 H GLU 52 H GLU 52 10.638 -8.612 14.705 408 HA GLU 52 HA GLU 52 12.651 -6.718 15.708 409 HB2 GLU 52 1HB GLU 52 12.027 -9.465 16.791 410 HB3 GLU 52 2HB GLU 52 13.520 -8.609 17.147 411 HG2 GLU 52 1HG GLU 52 11.812 -6.707 17.852 412 HG3 GLU 52 2HG GLU 52 10.765 -8.103 18.103 413 H LYS 53 H LYS 53 12.008 -8.056 13.074 414 HA LYS 53 HA LYS 53 14.622 -9.355 12.660 415 HB2 LYS 53 1HB LYS 53 12.071 -9.786 11.093 416 HB3 LYS 53 2HB LYS 53 13.608 -10.592 10.806 417 HG2 LYS 53 1HG LYS 53 13.094 -11.100 13.471 418 HG3 LYS 53 2HG LYS 53 11.508 -11.212 12.704 419 HD2 LYS 53 1HD LYS 53 12.859 -12.621 10.924 420 HD3 LYS 53 2HD LYS 53 13.947 -12.870 12.292 421 HE2 LYS 53 1HE LYS 53 12.575 -14.393 13.145 422 HE3 LYS 53 2HE LYS 53 11.251 -13.229 13.163 423 HZ1 LYS 53 3HZ LYS 53 11.835 -14.327 10.560 424 HZ2 LYS 53 1HZ LYS 53 10.348 -14.115 11.337 425 HZ3 LYS 53 2HZ LYS 53 11.297 -15.471 11.684 426 H THR 54 H THR 54 15.603 -9.021 10.545 427 HA THR 54 HA THR 54 15.066 -6.308 9.558 428 HB THR 54 HB THR 54 17.510 -7.791 8.724 429 HG1 THR 54 1HG THR 54 18.495 -7.040 10.742 430 HG21 THR 54 3HG2 THR 54 18.435 -5.436 9.236 431 HG22 THR 54 1HG2 THR 54 16.742 -4.953 9.325 432 HG23 THR 54 2HG2 THR 54 17.387 -5.636 7.832 433 H GLN 55 H GLN 55 13.632 -8.831 8.784 434 HA GLN 55 HA GLN 55 14.375 -9.668 6.221 435 HB2 GLN 55 1HB GLN 55 11.551 -9.488 7.275 436 HB3 GLN 55 2HB GLN 55 12.149 -10.565 6.019 437 HG2 GLN 55 1HG GLN 55 13.101 -11.998 7.501 438 HG3 GLN 55 2HG GLN 55 13.423 -10.734 8.687 439 HE21 GLN 55 1HE2 GLN 55 11.100 -9.646 9.253 440 HE22 GLN 55 2HE2 GLN 55 9.970 -10.805 9.859 441 H ASN 56 H ASN 56 12.736 -9.317 4.304 442 HA ASN 56 HA ASN 56 13.141 -6.761 3.304 443 HB2 ASN 56 1HB ASN 56 12.412 -8.992 2.130 444 HB3 ASN 56 2HB ASN 56 10.785 -8.373 2.391 445 HD21 ASN 56 1HD2 ASN 56 13.725 -8.043 0.632 446 HD22 ASN 56 2HD2 ASN 56 13.179 -6.833 -0.474 447 H ILE 57 H ILE 57 11.169 -5.413 2.437 448 HA ILE 57 HA ILE 57 9.572 -4.718 4.800 449 HB ILE 57 HB ILE 57 9.835 -2.997 2.352 450 HG12 ILE 57 1HG1 ILE 57 11.730 -3.131 4.707 451 HG13 ILE 57 2HG1 ILE 57 12.114 -3.514 3.032 452 HG21 ILE 57 1HG2 ILE 57 8.521 -2.791 4.866 453 HG22 ILE 57 2HG2 ILE 57 9.777 -1.557 4.788 454 HG23 ILE 57 3HG2 ILE 57 8.541 -1.637 3.533 455 HD11 ILE 57 3HD1 ILE 57 12.231 -1.009 4.378 456 HD12 ILE 57 1HD1 ILE 57 12.733 -1.416 2.737 457 HD13 ILE 57 2HD1 ILE 57 11.075 -0.901 3.051 458 H GLN 58 H GLN 58 9.217 -4.862 1.252 459 HA GLN 58 HA GLN 58 6.495 -4.563 1.055 460 HB2 GLN 58 1HB GLN 58 7.799 -4.635 -0.937 461 HB3 GLN 58 2HB GLN 58 8.387 -6.253 -0.575 462 HG2 GLN 58 1HG GLN 58 6.120 -7.134 -0.889 463 HG3 GLN 58 2HG GLN 58 5.559 -5.512 -1.293 464 HE21 GLN 58 1HE2 GLN 58 7.186 -4.481 -2.999 465 HE22 GLN 58 2HE2 GLN 58 7.424 -5.466 -4.399 466 H LEU 59 H LEU 59 8.299 -7.366 2.094 467 HA LEU 59 HA LEU 59 6.444 -9.388 1.826 468 HB2 LEU 59 1HB LEU 59 8.842 -8.935 3.299 469 HB3 LEU 59 2HB LEU 59 7.665 -9.705 4.362 470 HG LEU 59 HG LEU 59 8.408 -10.816 1.664 471 HD11 LEU 59 1HD1 LEU 59 9.658 -11.281 4.356 472 HD12 LEU 59 2HD1 LEU 59 10.446 -10.835 2.844 473 HD13 LEU 59 3HD1 LEU 59 9.767 -12.451 3.041 474 HD21 LEU 59 3HD2 LEU 59 6.492 -11.911 2.213 475 HD22 LEU 59 1HD2 LEU 59 6.715 -11.666 3.945 476 HD23 LEU 59 2HD2 LEU 59 7.639 -12.911 3.106 477 H MET 60 H MET 60 6.468 -6.721 4.058 478 HA MET 60 HA MET 60 4.265 -7.864 5.601 479 HB2 MET 60 1HB MET 60 5.472 -5.155 6.076 480 HB3 MET 60 2HB MET 60 4.673 -6.222 7.223 481 HG2 MET 60 1HG MET 60 6.805 -7.729 6.419 482 HG3 MET 60 2HG MET 60 7.467 -6.097 6.405 483 HE1 MET 60 3HE MET 60 6.138 -4.561 8.196 484 HE2 MET 60 1HE MET 60 5.187 -5.342 9.460 485 HE3 MET 60 2HE MET 60 6.807 -4.743 9.819 486 H ILE 61 H ILE 61 5.008 -4.903 3.767 487 HA ILE 61 HA ILE 61 2.559 -3.648 3.906 488 HB ILE 61 HB ILE 61 4.447 -3.731 1.550 489 HG12 ILE 61 1HG1 ILE 61 5.503 -2.897 3.583 490 HG13 ILE 61 2HG1 ILE 61 5.242 -1.571 2.454 491 HG21 ILE 61 1HG2 ILE 61 3.211 -1.331 1.392 492 HG22 ILE 61 2HG2 ILE 61 2.716 -2.762 0.490 493 HG23 ILE 61 3HG2 ILE 61 1.896 -2.340 1.993 494 HD11 ILE 61 3HD1 ILE 61 3.248 -0.913 3.721 495 HD12 ILE 61 1HD1 ILE 61 3.568 -2.212 4.870 496 HD13 ILE 61 2HD1 ILE 61 4.713 -0.881 4.702 497 H GLN 62 H GLN 62 3.628 -5.999 1.454 498 HA GLN 62 HA GLN 62 1.318 -6.062 -0.082 499 HB2 GLN 62 1HB GLN 62 3.600 -7.880 0.379 500 HB3 GLN 62 2HB GLN 62 2.151 -8.634 -0.272 501 HG2 GLN 62 1HG GLN 62 2.184 -6.780 -2.023 502 HG3 GLN 62 2HG GLN 62 3.828 -6.461 -1.472 503 HE21 GLN 62 1HE2 GLN 62 4.801 -8.944 -1.018 504 HE22 GLN 62 2HE2 GLN 62 4.852 -9.848 -2.490 505 H SER 63 H SER 63 1.918 -7.357 3.062 506 HA SER 63 HA SER 63 -0.486 -9.019 2.973 507 HB2 SER 63 1HB SER 63 1.962 -9.361 4.223 508 HB3 SER 63 2HB SER 63 0.899 -8.870 5.542 509 HG SER 63 HG SER 63 1.018 -11.227 4.230 510 H PHE 64 H PHE 64 0.559 -5.935 3.989 511 HA PHE 64 HA PHE 64 -1.525 -5.615 5.984 512 HB2 PHE 64 1HB PHE 64 0.727 -3.909 4.984 513 HB3 PHE 64 2HB PHE 64 -0.595 -3.168 5.879 514 HD1 PHE 64 1HD PHE 64 -1.221 -5.118 7.918 515 HD2 PHE 64 2HD PHE 64 2.565 -3.939 6.370 516 HE1 PHE 64 1HE PHE 64 -0.155 -5.773 10.036 517 HE2 PHE 64 2HE PHE 64 3.637 -4.592 8.485 518 HZ PHE 64 HZ PHE 64 2.278 -5.511 10.322 519 H MET 65 H MET 65 -0.621 -3.427 3.336 520 HA MET 65 HA MET 65 -3.485 -3.058 2.782 521 HB2 MET 65 1HB MET 65 -2.676 -0.941 1.625 522 HB3 MET 65 2HB MET 65 -2.536 -0.979 3.378 523 HG2 MET 65 1HG MET 65 -0.181 -1.459 3.224 524 HG3 MET 65 2HG MET 65 -0.289 -1.576 1.469 525 HE1 MET 65 3HE MET 65 0.796 0.510 0.140 526 HE2 MET 65 1HE MET 65 -0.940 0.278 -0.064 527 HE3 MET 65 2HE MET 65 -0.289 1.901 0.165 528 H GLU 66 H GLU 66 -4.310 -3.671 0.884 529 HA GLU 66 HA GLU 66 -2.439 -4.583 -1.193 530 HB2 GLU 66 1HB GLU 66 -4.133 -6.088 -1.950 531 HB3 GLU 66 2HB GLU 66 -4.027 -6.255 -0.203 532 HG2 GLU 66 1HG GLU 66 -5.954 -4.278 -0.668 533 HG3 GLU 66 2HG GLU 66 -6.278 -5.562 -1.832 534 H VAL 67 H VAL 67 -2.711 -3.974 -3.331 535 HA VAL 67 HA VAL 67 -4.734 -1.909 -3.875 536 HB VAL 67 HB VAL 67 -1.894 -1.727 -4.874 537 HG11 VAL 67 1HG1 VAL 67 -4.363 -0.119 -5.185 538 HG12 VAL 67 2HG1 VAL 67 -2.839 0.757 -5.034 539 HG13 VAL 67 3HG1 VAL 67 -3.055 -0.422 -6.328 540 HG21 VAL 67 3HG2 VAL 67 -3.160 -0.641 -2.394 541 HG22 VAL 67 1HG2 VAL 67 -1.563 -1.356 -2.619 542 HG23 VAL 67 2HG2 VAL 67 -1.890 0.274 -3.207 543 H SER 68 H SER 68 -5.978 -2.584 -5.481 544 HA SER 68 HA SER 68 -4.731 -4.029 -7.722 545 HB2 SER 68 1HB SER 68 -7.209 -5.080 -7.779 546 HB3 SER 68 2HB SER 68 -5.876 -5.821 -6.893 547 HG SER 68 HG SER 68 -6.787 -5.287 -5.058 548 H GLN 69 H GLN 69 -6.497 -4.156 -9.582 549 HA GLN 69 HA GLN 69 -8.146 -1.799 -9.792 550 HB2 GLN 69 1HB GLN 69 -5.473 -1.943 -11.024 551 HB3 GLN 69 2HB GLN 69 -6.763 -1.448 -12.112 552 HG2 GLN 69 1HG GLN 69 -7.369 0.353 -10.583 553 HG3 GLN 69 2HG GLN 69 -6.085 -0.147 -9.483 554 HE21 GLN 69 1HE2 GLN 69 -6.802 2.172 -11.524 555 HE22 GLN 69 2HE2 GLN 69 -5.252 2.532 -12.197 556 H THR 70 H THR 70 -9.626 -1.896 -11.495 557 HA THR 70 HA THR 70 -10.228 -4.541 -12.408 558 HB THR 70 HB THR 70 -11.542 -1.985 -13.332 559 HG1 THR 70 1HG THR 70 -12.296 -3.589 -11.103 560 HG21 THR 70 3HG2 THR 70 -12.300 -4.888 -13.327 561 HG22 THR 70 1HG2 THR 70 -12.337 -3.734 -14.659 562 HG23 THR 70 2HG2 THR 70 -13.534 -3.628 -13.368 563 H VAL 71 H VAL 71 -9.967 -5.434 -14.391 564 HA VAL 71 HA VAL 71 -9.268 -3.865 -16.699 565 HB VAL 71 HB VAL 71 -7.074 -3.951 -15.700 566 HG11 VAL 71 1HG1 VAL 71 -7.910 -6.560 -14.882 567 HG12 VAL 71 2HG1 VAL 71 -6.390 -6.682 -15.769 568 HG13 VAL 71 3HG1 VAL 71 -6.507 -5.627 -14.360 569 HG21 VAL 71 3HG2 VAL 71 -7.215 -5.997 -17.912 570 HG22 VAL 71 1HG2 VAL 71 -7.293 -4.251 -18.153 571 HG23 VAL 71 2HG2 VAL 71 -5.834 -4.985 -17.487 572 H HIS 72 H HIS 72 -9.995 -4.847 -18.480 573 HA HIS 72 HA HIS 72 -10.858 -6.420 -19.879 574 HB2 HIS 72 1HB HIS 72 -8.627 -7.627 -18.702 575 HB3 HIS 72 2HB HIS 72 -9.911 -8.826 -18.566 576 HD1 HIS 72 1HD HIS 72 -9.949 -10.358 -20.491 577 HD2 HIS 72 2HD HIS 72 -8.638 -6.568 -21.578 578 HE1 HIS 72 1HE HIS 72 -9.442 -10.501 -22.950 579 H GLY 73 H GLY 73 -12.007 -5.776 -17.080 580 HA2 GLY 73 1HA GLY 73 -14.211 -6.198 -16.374 581 HA3 GLY 73 2HA GLY 73 -14.201 -7.688 -17.305 582 H LYS 74 H LYS 74 -11.464 -7.127 -15.320 583 HA LYS 74 HA LYS 74 -12.551 -8.496 -13.011 584 HB2 LYS 74 1HB LYS 74 -10.738 -9.808 -14.981 585 HB3 LYS 74 2HB LYS 74 -10.477 -10.138 -13.273 586 HG2 LYS 74 1HG LYS 74 -13.253 -10.386 -13.793 587 HG3 LYS 74 2HG LYS 74 -12.377 -11.289 -15.031 588 HD2 LYS 74 1HD LYS 74 -11.463 -12.747 -13.513 589 HD3 LYS 74 2HD LYS 74 -11.535 -11.582 -12.188 590 HE2 LYS 74 1HE LYS 74 -13.721 -12.063 -11.705 591 HE3 LYS 74 2HE LYS 74 -14.094 -12.546 -13.359 592 HZ1 LYS 74 3HZ LYS 74 -13.724 -14.652 -12.834 593 HZ2 LYS 74 1HZ LYS 74 -13.528 -14.198 -11.216 594 HZ3 LYS 74 2HZ LYS 74 -12.182 -14.300 -12.235 595 H ALA 75 H ALA 75 -11.392 -8.122 -11.164 596 HA ALA 75 HA ALA 75 -9.503 -5.980 -11.226 597 HB1 ALA 75 1HB ALA 75 -11.069 -6.167 -9.393 598 HB2 ALA 75 2HB ALA 75 -10.404 -7.739 -8.948 599 HB3 ALA 75 3HB ALA 75 -9.419 -6.286 -8.781 600 H GLN 76 H GLN 76 -7.323 -6.005 -10.988 601 HA GLN 76 HA GLN 76 -6.020 -8.623 -10.658 602 HB2 GLN 76 1HB GLN 76 -4.509 -8.213 -12.396 603 HB3 GLN 76 2HB GLN 76 -6.049 -7.663 -13.044 604 HG2 GLN 76 1HG GLN 76 -5.456 -5.359 -12.526 605 HG3 GLN 76 2HG GLN 76 -3.920 -5.901 -11.851 606 HE21 GLN 76 1HE2 GLN 76 -3.067 -4.377 -13.450 607 HE22 GLN 76 2HE2 GLN 76 -2.799 -4.935 -15.063 608 H ASN 77 H ASN 77 -3.788 -8.500 -9.883 609 HA ASN 77 HA ASN 77 -3.556 -6.517 -7.792 610 HB2 ASN 77 1HB ASN 77 -1.810 -7.859 -6.908 611 HB3 ASN 77 2HB ASN 77 -3.013 -8.989 -7.524 612 HD21 ASN 77 1HD2 ASN 77 -2.618 -9.961 -9.604 613 HD22 ASN 77 2HD2 ASN 77 -0.992 -10.219 -10.129 614 H LEU 78 H LEU 78 -2.351 -4.733 -7.854 615 HA LEU 78 HA LEU 78 -0.849 -4.125 -10.250 616 HB2 LEU 78 1HB LEU 78 -1.425 -2.522 -7.765 617 HB3 LEU 78 2HB LEU 78 -0.525 -1.911 -9.151 618 HG LEU 78 HG LEU 78 -3.432 -2.715 -9.093 619 HD11 LEU 78 1HD1 LEU 78 -2.367 -0.407 -8.217 620 HD12 LEU 78 2HD1 LEU 78 -3.955 -0.526 -8.975 621 HD13 LEU 78 3HD1 LEU 78 -2.558 -0.028 -9.929 622 HD21 LEU 78 3HD2 LEU 78 -1.748 -1.726 -11.392 623 HD22 LEU 78 1HD2 LEU 78 -3.495 -1.963 -11.421 624 HD23 LEU 78 2HD2 LEU 78 -2.422 -3.347 -11.216 625 H GLN 79 H GLN 79 1.241 -4.525 -10.485 626 HA GLN 79 HA GLN 79 2.854 -5.161 -8.140 627 HB2 GLN 79 1HB GLN 79 3.476 -5.415 -11.087 628 HB3 GLN 79 2HB GLN 79 4.519 -5.958 -9.780 629 HG2 GLN 79 1HG GLN 79 1.921 -7.077 -9.424 630 HG3 GLN 79 2HG GLN 79 2.463 -7.374 -11.075 631 HE21 GLN 79 1HE2 GLN 79 4.831 -8.094 -11.179 632 HE22 GLN 79 2HE2 GLN 79 5.292 -9.317 -10.049 633 H TYR 80 H TYR 80 5.343 -4.497 -8.723 634 HA TYR 80 HA TYR 80 5.593 -1.834 -8.049 635 HB2 TYR 80 1HB TYR 80 7.394 -3.525 -7.838 636 HB3 TYR 80 2HB TYR 80 7.613 -3.482 -9.584 637 HD1 TYR 80 2HD TYR 80 7.784 -1.364 -6.534 638 HD2 TYR 80 1HD TYR 80 9.034 -1.899 -10.566 639 HE1 TYR 80 2HE TYR 80 9.372 0.498 -6.283 640 HE2 TYR 80 1HE TYR 80 10.626 -0.039 -10.325 641 HH TYR 80 HH TYR 80 11.882 1.042 -8.183 642 H ALA 81 H ALA 81 5.481 0.039 -9.107 643 HA ALA 81 HA ALA 81 4.786 0.052 -11.903 644 HB1 ALA 81 1HB ALA 81 3.750 1.934 -11.356 645 HB2 ALA 81 2HB ALA 81 4.347 1.751 -9.706 646 HB3 ALA 81 3HB ALA 81 5.276 2.680 -10.882 647 H VAL 82 H VAL 82 6.277 -0.059 -13.441 648 HA VAL 82 HA VAL 82 9.031 0.541 -12.980 649 HB VAL 82 HB VAL 82 7.574 -0.017 -15.568 650 HG11 VAL 82 1HG1 VAL 82 10.451 0.437 -14.921 651 HG12 VAL 82 2HG1 VAL 82 10.019 -0.701 -16.199 652 HG13 VAL 82 3HG1 VAL 82 9.510 0.985 -16.308 653 HG21 VAL 82 3HG2 VAL 82 9.049 -1.777 -13.626 654 HG22 VAL 82 1HG2 VAL 82 7.389 -1.929 -14.200 655 HG23 VAL 82 2HG2 VAL 82 8.733 -2.258 -15.293 656 H LEU 83 H LEU 83 10.256 2.248 -13.704 657 HA LEU 83 HA LEU 83 9.108 4.337 -15.325 658 HB2 LEU 83 1HB LEU 83 9.704 6.065 -13.517 659 HB3 LEU 83 2HB LEU 83 8.181 5.187 -13.385 660 HG LEU 83 HG LEU 83 10.235 3.792 -11.944 661 HD11 LEU 83 1HD1 LEU 83 9.770 6.401 -10.641 662 HD12 LEU 83 2HD1 LEU 83 10.932 6.374 -11.966 663 HD13 LEU 83 3HD1 LEU 83 11.165 5.324 -10.569 664 HD21 LEU 83 3HD2 LEU 83 8.080 5.227 -10.529 665 HD22 LEU 83 1HD2 LEU 83 8.571 3.536 -10.439 666 HD23 LEU 83 2HD2 LEU 83 7.571 4.093 -11.781 667 H THR 84 H THR 84 10.646 5.482 -16.384 668 HA THR 84 HA THR 84 13.227 4.542 -16.626 669 HB THR 84 HB THR 84 13.779 6.614 -17.791 670 HG1 THR 84 1HG THR 84 11.370 7.541 -16.594 671 HG21 THR 84 3HG2 THR 84 12.535 5.111 -19.125 672 HG22 THR 84 1HG2 THR 84 11.777 6.685 -19.361 673 HG23 THR 84 2HG2 THR 84 11.029 5.497 -18.294 674 H ASP 85 H ASP 85 12.053 7.227 -14.627 675 HA ASP 85 HA ASP 85 13.945 6.835 -12.596 676 HB2 ASP 85 1HB ASP 85 15.262 7.883 -14.669 677 HB3 ASP 85 2HB ASP 85 14.634 9.378 -13.981 678 H SER 86 H SER 86 13.558 8.140 -10.813 679 HA SER 86 HA SER 86 11.775 10.416 -11.056 680 HB2 SER 86 1HB SER 86 10.976 7.834 -9.731 681 HB3 SER 86 2HB SER 86 10.285 9.373 -9.215 682 HG SER 86 HG SER 86 9.602 9.680 -11.393 683 HA PRO 87 HA PRO 87 14.022 11.896 -7.591 684 HB2 PRO 87 1HB PRO 87 12.152 13.403 -6.324 685 HB3 PRO 87 2HB PRO 87 12.900 13.884 -7.852 686 HG2 PRO 87 1HG PRO 87 10.241 12.598 -7.367 687 HG3 PRO 87 2HG PRO 87 10.658 13.924 -8.467 688 HD2 PRO 87 1HD PRO 87 10.341 11.373 -9.315 689 HD3 PRO 87 2HD PRO 87 11.485 12.497 -10.076 690 H PHE 88 H PHE 88 11.122 10.064 -7.089 691 HA PHE 88 HA PHE 88 11.647 9.754 -4.235 692 HB2 PHE 88 1HB PHE 88 9.361 9.057 -6.043 693 HB3 PHE 88 2HB PHE 88 9.528 8.232 -4.497 694 HD1 PHE 88 2HD PHE 88 10.038 11.770 -5.566 695 HD2 PHE 88 1HD PHE 88 8.000 9.054 -3.000 696 HE1 PHE 88 2HE PHE 88 8.938 13.662 -4.443 697 HE2 PHE 88 1HE PHE 88 6.895 10.943 -1.873 698 HZ PHE 88 HZ PHE 88 7.365 13.250 -2.594 699 H GLN 89 H GLN 89 13.625 8.715 -5.928 700 HA GLN 89 HA GLN 89 13.206 5.856 -6.135 701 HB2 GLN 89 1HB GLN 89 14.880 7.731 -7.402 702 HB3 GLN 89 2HB GLN 89 15.948 6.655 -6.510 703 HG2 GLN 89 1HG GLN 89 13.892 5.855 -8.556 704 HG3 GLN 89 2HG GLN 89 15.644 5.844 -8.756 705 HE21 GLN 89 1HE2 GLN 89 16.698 4.613 -6.766 706 HE22 GLN 89 2HE2 GLN 89 16.049 3.033 -6.511 707 H ASP 90 H ASP 90 14.085 7.959 -3.710 708 HA ASP 90 HA ASP 90 16.091 6.367 -2.420 709 HB2 ASP 90 1HB ASP 90 14.881 8.947 -2.035 710 HB3 ASP 90 2HB ASP 90 14.862 8.054 -0.517 711 H LYS 91 H LYS 91 12.691 6.261 -2.624 712 HA LYS 91 HA LYS 91 12.544 4.506 -0.262 713 HB2 LYS 91 1HB LYS 91 10.019 4.941 -0.521 714 HB3 LYS 91 2HB LYS 91 11.019 6.239 0.120 715 HG2 LYS 91 1HG LYS 91 10.601 6.196 -2.807 716 HG3 LYS 91 2HG LYS 91 9.212 6.612 -1.799 717 HD2 LYS 91 1HD LYS 91 11.914 7.939 -1.607 718 HD3 LYS 91 2HD LYS 91 10.555 8.577 -2.535 719 HE2 LYS 91 1HE LYS 91 10.722 8.159 0.443 720 HE3 LYS 91 2HE LYS 91 10.581 9.688 -0.423 721 HZ1 LYS 91 3HZ LYS 91 8.408 9.467 -0.049 722 HZ2 LYS 91 1HZ LYS 91 8.533 7.828 0.351 723 HZ3 LYS 91 2HZ LYS 91 8.418 8.297 -1.270 724 H LEU 92 H LEU 92 12.108 4.728 -3.684 725 HA LEU 92 HA LEU 92 10.421 2.569 -4.177 726 HB2 LEU 92 1HB LEU 92 12.393 4.121 -5.682 727 HB3 LEU 92 2HB LEU 92 12.186 2.471 -6.266 728 HG LEU 92 HG LEU 92 9.884 2.844 -6.744 729 HD11 LEU 92 1HD1 LEU 92 10.153 4.925 -4.779 730 HD12 LEU 92 2HD1 LEU 92 8.695 4.175 -5.427 731 HD13 LEU 92 3HD1 LEU 92 9.419 5.555 -6.254 732 HD21 LEU 92 3HD2 LEU 92 11.420 5.288 -7.617 733 HD22 LEU 92 1HD2 LEU 92 10.002 4.595 -8.403 734 HD23 LEU 92 2HD2 LEU 92 11.523 3.701 -8.381 735 H ASP 93 H ASP 93 13.766 2.652 -3.239 736 HA ASP 93 HA ASP 93 14.314 -0.081 -3.942 737 HB2 ASP 93 1HB ASP 93 15.789 2.174 -2.777 738 HB3 ASP 93 2HB ASP 93 16.246 0.606 -2.118 739 H ARG 94 H ARG 94 12.873 1.542 -1.286 740 HA ARG 94 HA ARG 94 13.451 -0.074 0.874 741 HB2 ARG 94 1HB ARG 94 10.795 1.199 0.187 742 HB3 ARG 94 2HB ARG 94 11.251 0.596 1.775 743 HG2 ARG 94 1HG ARG 94 12.965 2.642 0.452 744 HG3 ARG 94 2HG ARG 94 11.446 3.134 1.205 745 HD2 ARG 94 1HD ARG 94 12.152 2.542 3.323 746 HD3 ARG 94 2HD ARG 94 13.354 1.404 2.715 747 HE ARG 94 HE ARG 94 14.072 3.991 1.910 748 HH11 ARG 94 1HH1 ARG 94 13.824 2.067 4.801 749 HH12 ARG 94 2HH1 ARG 94 15.080 2.922 5.634 750 HH21 ARG 94 1HH2 ARG 94 15.727 5.124 2.996 751 HH22 ARG 94 2HH2 ARG 94 16.161 4.661 4.607 752 H LEU 95 H LEU 95 10.889 -0.521 -1.552 753 HA LEU 95 HA LEU 95 9.714 -2.809 -0.517 754 HB2 LEU 95 1HB LEU 95 10.121 -2.330 -3.456 755 HB3 LEU 95 2HB LEU 95 8.797 -3.186 -2.667 756 HG LEU 95 HG LEU 95 9.298 -0.211 -2.642 757 HD11 LEU 95 1HD1 LEU 95 6.767 -0.695 -3.582 758 HD12 LEU 95 2HD1 LEU 95 7.706 -2.007 -4.293 759 HD13 LEU 95 3HD1 LEU 95 8.182 -0.332 -4.570 760 HD21 LEU 95 3HD2 LEU 95 8.362 -0.490 -0.571 761 HD22 LEU 95 1HD2 LEU 95 7.494 -1.954 -1.037 762 HD23 LEU 95 2HD2 LEU 95 6.906 -0.375 -1.561 763 H ALA 96 H ALA 96 12.754 -2.417 -2.130 764 HA ALA 96 HA ALA 96 13.104 -5.341 -2.204 765 HB1 ALA 96 1HB ALA 96 14.975 -3.532 -3.643 766 HB2 ALA 96 2HB ALA 96 14.428 -5.157 -4.057 767 HB3 ALA 96 3HB ALA 96 13.361 -3.776 -4.312 768 H ASP 97 H ASP 97 13.460 -3.414 0.078 769 HA ASP 97 HA ASP 97 16.237 -4.155 0.715 770 HB2 ASP 97 1HB ASP 97 15.271 -1.541 0.409 771 HB3 ASP 97 2HB ASP 97 15.383 -1.791 2.149 772 H GLU 98 H GLU 98 16.323 -3.331 3.327 773 HA GLU 98 HA GLU 98 14.457 -5.215 4.570 774 HB2 GLU 98 1HB GLU 98 16.958 -3.952 5.705 775 HB3 GLU 98 2HB GLU 98 15.995 -5.208 6.470 776 HG2 GLU 98 1HG GLU 98 16.756 -6.846 5.068 777 HG3 GLU 98 2HG GLU 98 17.108 -5.717 3.761 778 H ILE 99 H ILE 99 14.036 -4.548 7.004 779 HA ILE 99 HA ILE 99 13.012 -1.784 6.951 780 HB ILE 99 HB ILE 99 11.504 -2.975 8.871 781 HG12 ILE 99 1HG1 ILE 99 10.694 -5.119 7.861 782 HG13 ILE 99 2HG1 ILE 99 12.040 -5.043 6.730 783 HG21 ILE 99 1HG2 ILE 99 11.166 -1.966 6.231 784 HG22 ILE 99 2HG2 ILE 99 10.141 -3.387 6.427 785 HG23 ILE 99 3HG2 ILE 99 9.994 -2.034 7.547 786 HD11 ILE 99 3HD1 ILE 99 13.424 -5.929 8.211 787 HD12 ILE 99 1HD1 ILE 99 12.951 -4.765 9.449 788 HD13 ILE 99 2HD1 ILE 99 12.017 -6.245 9.225 789 H ASN 100 H ASN 100 12.561 -0.970 9.265 790 HA ASN 100 HA ASN 100 14.950 -1.543 10.886 791 HB2 ASN 100 1HB ASN 100 13.531 0.936 10.172 792 HB3 ASN 100 2HB ASN 100 13.983 0.818 11.870 793 HD21 ASN 100 1HD2 ASN 100 15.644 -0.451 9.027 794 HD22 ASN 100 2HD2 ASN 100 17.093 0.465 9.246 795 HA PRO 101 HA PRO 101 11.564 -3.250 13.451 796 HB2 PRO 101 1HB PRO 101 13.134 -5.118 14.641 797 HB3 PRO 101 2HB PRO 101 12.374 -5.365 13.065 798 HG2 PRO 101 1HG PRO 101 15.182 -4.550 13.706 799 HG3 PRO 101 2HG PRO 101 14.602 -5.712 12.498 800 HD2 PRO 101 1HD PRO 101 15.338 -3.186 11.855 801 HD3 PRO 101 2HD PRO 101 14.061 -4.060 10.985 802 H GLY 102 H GLY 102 11.412 -1.396 14.757 803 HA2 GLY 102 1HA GLY 102 11.567 -1.061 17.209 804 HA3 GLY 102 2HA GLY 102 13.291 -1.355 17.039 805 H GLU 103 H GLU 103 12.253 0.367 14.394 806 HA GLU 103 HA GLU 103 12.936 2.931 15.677 807 HB2 GLU 103 1HB GLU 103 14.575 1.756 13.961 808 HB3 GLU 103 2HB GLU 103 13.491 2.477 12.780 809 HG2 GLU 103 1HG GLU 103 14.536 4.409 12.982 810 HG3 GLU 103 2HG GLU 103 14.131 4.462 14.697 811 H THR 104 H THR 104 12.342 4.770 13.946 812 HA THR 104 HA THR 104 9.573 4.253 13.078 813 HB THR 104 HB THR 104 10.646 6.792 14.322 814 HG1 THR 104 1HG THR 104 9.940 5.927 16.110 815 HG21 THR 104 3HG2 THR 104 8.113 7.337 14.270 816 HG22 THR 104 1HG2 THR 104 8.042 6.120 12.996 817 HG23 THR 104 2HG2 THR 104 9.058 7.548 12.796 818 H ILE 105 H ILE 105 9.760 4.114 10.915 819 HA ILE 105 HA ILE 105 10.823 6.457 9.512 820 HB ILE 105 HB ILE 105 12.015 5.157 7.897 821 HG12 ILE 105 1HG1 ILE 105 12.109 2.545 8.864 822 HG13 ILE 105 2HG1 ILE 105 10.410 2.990 8.987 823 HG21 ILE 105 1HG2 ILE 105 12.887 3.863 10.441 824 HG22 ILE 105 2HG2 ILE 105 13.855 4.591 9.160 825 HG23 ILE 105 3HG2 ILE 105 12.965 5.618 10.284 826 HD11 ILE 105 3HD1 ILE 105 11.195 3.882 6.478 827 HD12 ILE 105 1HD1 ILE 105 11.971 2.310 6.668 828 HD13 ILE 105 2HD1 ILE 105 10.222 2.459 6.849 829 H GLN 106 H GLN 106 10.420 5.759 6.943 830 HA GLN 106 HA GLN 106 7.802 4.579 6.602 831 HB2 GLN 106 1HB GLN 106 7.026 6.703 5.366 832 HB3 GLN 106 2HB GLN 106 6.963 6.696 7.124 833 HG2 GLN 106 1HG GLN 106 9.093 7.918 7.185 834 HG3 GLN 106 2HG GLN 106 9.094 7.967 5.423 835 HE21 GLN 106 1HE2 GLN 106 7.164 8.874 8.242 836 HE22 GLN 106 2HE2 GLN 106 6.491 10.303 7.542 837 H GLY 107 H GLY 107 7.123 5.119 4.141 838 HA2 GLY 107 1HA GLY 107 9.286 5.368 2.293 839 HA3 GLY 107 2HA GLY 107 8.818 3.688 2.507 840 H ALA 108 H ALA 108 8.312 3.818 0.200 841 HA ALA 108 HA ALA 108 5.554 4.745 -0.185 842 HB1 ALA 108 1HB ALA 108 7.343 6.322 -1.164 843 HB2 ALA 108 2HB ALA 108 7.560 5.068 -2.386 844 HB3 ALA 108 3HB ALA 108 5.988 5.843 -2.187 845 H TYR 109 H TYR 109 4.642 3.812 -2.286 846 HA TYR 109 HA TYR 109 5.802 1.255 -3.050 847 HB2 TYR 109 1HB TYR 109 4.152 1.084 -0.998 848 HB3 TYR 109 2HB TYR 109 2.921 1.207 -2.250 849 HD1 TYR 109 1HD TYR 109 3.901 -0.351 -4.441 850 HD2 TYR 109 2HD TYR 109 4.291 -1.102 -0.271 851 HE1 TYR 109 1HE TYR 109 4.125 -2.757 -4.901 852 HE2 TYR 109 2HE TYR 109 4.516 -3.509 -0.719 853 HH TYR 109 HH TYR 109 3.593 -5.039 -3.054 854 HA PRO 110 HA PRO 110 3.961 3.447 -6.627 855 HB2 PRO 110 1HB PRO 110 5.837 2.576 -8.385 856 HB3 PRO 110 2HB PRO 110 6.073 3.990 -7.351 857 HG2 PRO 110 1HG PRO 110 7.061 1.189 -6.982 858 HG3 PRO 110 2HG PRO 110 7.918 2.720 -6.727 859 HD2 PRO 110 1HD PRO 110 6.856 1.288 -4.689 860 HD3 PRO 110 2HD PRO 110 6.954 3.060 -4.661 861 H TYR 111 H TYR 111 2.173 2.386 -7.246 862 HA TYR 111 HA TYR 111 2.382 -0.434 -8.026 863 HB2 TYR 111 1HB TYR 111 -0.048 1.268 -7.432 864 HB3 TYR 111 2HB TYR 111 -0.095 -0.432 -7.886 865 HD1 TYR 111 1HD TYR 111 0.923 -2.135 -6.344 866 HD2 TYR 111 2HD TYR 111 0.362 1.924 -5.197 867 HE1 TYR 111 1HE TYR 111 1.151 -2.777 -3.981 868 HE2 TYR 111 2HE TYR 111 0.590 1.293 -2.831 869 HH TYR 111 HH TYR 111 1.599 -0.520 -1.498 870 H GLU 112 H GLU 112 1.106 -1.136 -9.920 871 HA GLU 112 HA GLU 112 1.838 0.288 -12.228 872 HB2 GLU 112 1HB GLU 112 0.192 -2.109 -11.638 873 HB3 GLU 112 2HB GLU 112 -0.066 -1.337 -13.196 874 HG2 GLU 112 1HG GLU 112 2.412 -1.494 -13.567 875 HG3 GLU 112 2HG GLU 112 2.486 -2.498 -12.121 876 H PHE 113 H PHE 113 1.064 2.290 -12.556 877 HA PHE 113 HA PHE 113 -1.722 2.910 -12.028 878 HB2 PHE 113 1HB PHE 113 0.590 4.391 -11.889 879 HB3 PHE 113 2HB PHE 113 -0.121 4.950 -13.399 880 HD1 PHE 113 2HD PHE 113 -1.551 3.978 -10.091 881 HD2 PHE 113 1HD PHE 113 -1.167 6.965 -13.100 882 HE1 PHE 113 2HE PHE 113 -3.073 5.442 -8.828 883 HE2 PHE 113 1HE PHE 113 -2.687 8.434 -11.841 884 HZ PHE 113 HZ PHE 113 -3.644 7.672 -9.703 885 H ILE 114 H ILE 114 -0.352 1.293 -14.412 886 HA ILE 114 HA ILE 114 -0.838 2.421 -16.838 887 HB ILE 114 HB ILE 114 -1.543 -0.414 -16.070 888 HG12 ILE 114 1HG1 ILE 114 0.940 0.079 -17.541 889 HG13 ILE 114 2HG1 ILE 114 0.920 0.825 -15.947 890 HG21 ILE 114 1HG2 ILE 114 -2.523 -0.142 -18.147 891 HG22 ILE 114 2HG2 ILE 114 -1.285 0.986 -18.698 892 HG23 ILE 114 3HG2 ILE 114 -0.916 -0.734 -18.568 893 HD11 ILE 114 3HD1 ILE 114 1.794 -1.217 -15.446 894 HD12 ILE 114 1HD1 ILE 114 0.078 -1.547 -15.208 895 HD13 ILE 114 2HD1 ILE 114 0.874 -2.044 -16.702 896 H ASN 115 H ASN 115 -3.214 1.243 -14.548 897 HA ASN 115 HA ASN 115 -5.394 1.730 -16.425 898 HB2 ASN 115 1HB ASN 115 -5.191 0.422 -13.731 899 HB3 ASN 115 2HB ASN 115 -6.758 0.954 -14.336 900 HD21 ASN 115 1HD2 ASN 115 -7.771 -0.207 -15.879 901 HD22 ASN 115 2HD2 ASN 115 -7.156 -1.677 -16.547 902 H GLU 116 H GLU 116 -3.987 4.025 -15.765 903 HA GLU 116 HA GLU 116 -4.900 5.503 -13.600 904 HB2 GLU 116 1HB GLU 116 -4.219 7.478 -14.826 905 HB3 GLU 116 2HB GLU 116 -3.050 6.191 -15.088 906 HG2 GLU 116 1HG GLU 116 -5.274 6.728 -17.024 907 HG3 GLU 116 2HG GLU 116 -3.738 7.590 -17.097 908 H ASN 117 H ASN 117 -6.472 4.727 -16.605 909 HA ASN 117 HA ASN 117 -8.491 6.726 -16.481 910 HB2 ASN 117 1HB ASN 117 -9.669 4.886 -18.010 911 HB3 ASN 117 2HB ASN 117 -8.363 5.902 -18.615 912 HD21 ASN 117 1HD2 ASN 117 -6.232 5.017 -18.679 913 HD22 ASN 117 2HD2 ASN 117 -6.005 3.310 -18.823 914 H LYS 118 H LYS 118 -8.012 3.733 -14.876 915 HA LYS 118 HA LYS 118 -10.825 3.618 -14.044 916 HB2 LYS 118 1HB LYS 118 -8.641 1.576 -13.602 917 HB3 LYS 118 2HB LYS 118 -10.355 1.365 -13.267 918 HG2 LYS 118 1HG LYS 118 -9.161 1.802 -15.997 919 HG3 LYS 118 2HG LYS 118 -9.651 0.243 -15.331 920 HD2 LYS 118 1HD LYS 118 -11.951 1.372 -14.994 921 HD3 LYS 118 2HD LYS 118 -11.356 2.572 -16.143 922 HE2 LYS 118 1HE LYS 118 -10.912 0.758 -17.756 923 HE3 LYS 118 2HE LYS 118 -11.588 -0.400 -16.612 924 HZ1 LYS 118 3HZ LYS 118 -13.344 0.079 -18.024 925 HZ2 LYS 118 1HZ LYS 118 -12.973 1.727 -18.117 926 HZ3 LYS 118 2HZ LYS 118 -13.648 1.091 -16.703 927 HA PRO 119 HA PRO 119 -9.944 5.176 -10.032 928 HB2 PRO 119 1HB PRO 119 -11.827 3.876 -8.571 929 HB3 PRO 119 2HB PRO 119 -12.215 5.194 -9.683 930 HG2 PRO 119 1HG PRO 119 -12.435 2.238 -10.100 931 HG3 PRO 119 2HG PRO 119 -13.575 3.519 -10.550 932 HD2 PRO 119 1HD PRO 119 -11.878 2.388 -12.331 933 HD3 PRO 119 2HD PRO 119 -12.387 4.085 -12.443 934 H VAL 120 H VAL 120 -9.377 4.510 -7.809 935 HA VAL 120 HA VAL 120 -8.147 1.831 -7.755 936 HB VAL 120 HB VAL 120 -7.088 4.275 -6.336 937 HG11 VAL 120 1HG1 VAL 120 -6.375 2.331 -5.208 938 HG12 VAL 120 2HG1 VAL 120 -6.066 1.473 -6.718 939 HG13 VAL 120 3HG1 VAL 120 -5.021 2.808 -6.232 940 HG21 VAL 120 3HG2 VAL 120 -6.767 3.386 -9.099 941 HG22 VAL 120 1HG2 VAL 120 -6.398 4.943 -8.358 942 HG23 VAL 120 2HG2 VAL 120 -5.238 3.619 -8.251 943 H HIS 121 H HIS 121 -9.845 0.844 -6.667 944 HA HIS 121 HA HIS 121 -11.012 1.925 -4.303 945 HB2 HIS 121 1HB HIS 121 -11.864 -0.489 -4.053 946 HB3 HIS 121 2HB HIS 121 -12.385 0.418 -5.470 947 HD1 HIS 121 1HD HIS 121 -8.962 -1.066 -5.404 948 HD2 HIS 121 2HD HIS 121 -12.717 -1.946 -6.947 949 HE1 HIS 121 1HE HIS 121 -8.595 -2.943 -7.037 950 H PHE 122 H PHE 122 -9.090 2.435 -3.086 951 HA PHE 122 HA PHE 122 -7.202 0.534 -2.252 952 HB2 PHE 122 1HB PHE 122 -8.118 3.092 -0.925 953 HB3 PHE 122 2HB PHE 122 -6.718 2.157 -0.410 954 HD1 PHE 122 1HD PHE 122 -4.939 1.685 -2.261 955 HD2 PHE 122 2HD PHE 122 -7.837 4.798 -2.445 956 HE1 PHE 122 1HE PHE 122 -3.536 2.891 -3.882 957 HE2 PHE 122 2HE PHE 122 -6.439 6.008 -4.067 958 HZ PHE 122 HZ PHE 122 -4.285 5.055 -4.789 959 H LYS 123 H LYS 123 -7.225 -1.010 -0.742 960 HA LYS 123 HA LYS 123 -9.375 -1.004 1.261 961 HB2 LYS 123 1HB LYS 123 -8.527 -3.377 -0.410 962 HB3 LYS 123 2HB LYS 123 -9.641 -3.449 0.949 963 HG2 LYS 123 1HG LYS 123 -11.163 -1.930 -0.258 964 HG3 LYS 123 2HG LYS 123 -10.061 -1.963 -1.637 965 HD2 LYS 123 1HD LYS 123 -11.660 -3.567 -2.181 966 HD3 LYS 123 2HD LYS 123 -10.333 -4.523 -1.516 967 HE2 LYS 123 1HE LYS 123 -11.981 -3.774 0.649 968 HE3 LYS 123 2HE LYS 123 -13.048 -4.341 -0.635 969 HZ1 LYS 123 3HZ LYS 123 -12.311 -6.436 -0.436 970 HZ2 LYS 123 1HZ LYS 123 -11.825 -5.948 1.109 971 HZ3 LYS 123 2HZ LYS 123 -10.706 -5.978 -0.159 972 H PHE 124 H PHE 124 -8.931 -2.621 3.032 973 HA PHE 124 HA PHE 124 -6.102 -3.198 3.441 974 HB2 PHE 124 1HB PHE 124 -7.730 -1.562 5.398 975 HB3 PHE 124 2HB PHE 124 -6.092 -2.149 5.668 976 HD1 PHE 124 1HD PHE 124 -8.159 0.180 3.707 977 HD2 PHE 124 2HD PHE 124 -4.213 -1.036 4.738 978 HE1 PHE 124 1HE PHE 124 -7.263 2.226 2.677 979 HE2 PHE 124 2HE PHE 124 -3.311 1.009 3.710 980 HZ PHE 124 HZ PHE 124 -4.836 2.644 2.678 981 H ARG 125 H ARG 125 -5.725 -4.962 4.715 982 HA ARG 125 HA ARG 125 -7.823 -6.092 6.352 983 HB2 ARG 125 1HB ARG 125 -7.592 -6.922 3.672 984 HB3 ARG 125 2HB ARG 125 -6.883 -8.209 4.638 985 HG2 ARG 125 1HG ARG 125 -9.208 -7.580 5.991 986 HG3 ARG 125 2HG ARG 125 -9.658 -7.464 4.288 987 HD2 ARG 125 1HD ARG 125 -8.030 -9.802 5.084 988 HD3 ARG 125 2HD ARG 125 -9.694 -9.762 5.663 989 HE ARG 125 HE ARG 125 -9.712 -9.177 2.933 990 HH11 ARG 125 1HH1 ARG 125 -8.978 -11.835 5.057 991 HH12 ARG 125 2HH1 ARG 125 -9.397 -13.050 3.895 992 HH21 ARG 125 1HH2 ARG 125 -10.266 -10.766 1.394 993 HH22 ARG 125 2HH2 ARG 125 -10.128 -12.441 1.811 994 H ASP 126 H ASP 126 -6.929 -8.502 6.955 995 HA ASP 126 HA ASP 126 -4.522 -7.978 8.408 996 HB2 ASP 126 1HB ASP 126 -5.842 -10.671 8.100 997 HB3 ASP 126 2HB ASP 126 -4.863 -10.086 9.443 998 H ARG 127 H ARG 127 -3.169 -10.375 8.389 999 HA ARG 127 HA ARG 127 -2.058 -10.416 5.661 1000 HB2 ARG 127 1HB ARG 127 0.001 -11.361 6.980 1001 HB3 ARG 127 2HB ARG 127 -0.307 -9.630 6.942 1002 HG2 ARG 127 1HG ARG 127 -1.517 -11.181 9.156 1003 HG3 ARG 127 2HG ARG 127 0.230 -10.932 9.185 1004 HD2 ARG 127 1HD ARG 127 0.026 -8.757 9.684 1005 HD3 ARG 127 2HD ARG 127 -1.289 -8.524 8.533 1006 HE ARG 127 HE ARG 127 -2.019 -9.937 10.945 1007 HH11 ARG 127 1HH1 ARG 127 -1.750 -6.851 9.356 1008 HH12 ARG 127 2HH1 ARG 127 -2.908 -6.074 10.385 1009 HH21 ARG 127 1HH2 ARG 127 -3.545 -8.926 12.305 1010 HH22 ARG 127 2HH2 ARG 127 -3.927 -7.255 12.063 1011 H LEU 128 H LEU 128 -0.587 -12.592 5.556 1012 HA LEU 128 HA LEU 128 -0.588 -14.851 5.290 1013 HB2 LEU 128 1HB LEU 128 -1.495 -14.422 7.881 1014 HB3 LEU 128 2HB LEU 128 -2.663 -15.545 7.187 1015 HG LEU 128 HG LEU 128 -0.762 -17.048 6.596 1016 HD11 LEU 128 1HD1 LEU 128 0.823 -15.117 8.283 1017 HD12 LEU 128 2HD1 LEU 128 1.013 -15.381 6.551 1018 HD13 LEU 128 3HD1 LEU 128 1.392 -16.676 7.687 1019 HD21 LEU 128 3HD2 LEU 128 -0.582 -17.990 8.755 1020 HD22 LEU 128 1HD2 LEU 128 -2.164 -17.212 8.695 1021 HD23 LEU 128 2HD2 LEU 128 -0.828 -16.429 9.540 1022 H LEU 129 H LEU 129 -2.501 -16.778 5.330 1023 HA LEU 129 HA LEU 129 -3.867 -16.447 2.957 1024 HB2 LEU 129 1HB LEU 129 -4.228 -18.271 5.292 1025 HB3 LEU 129 2HB LEU 129 -5.416 -18.284 3.990 1026 HG LEU 129 HG LEU 129 -3.770 -20.064 3.721 1027 HD11 LEU 129 1HD1 LEU 129 -2.942 -18.297 1.532 1028 HD12 LEU 129 2HD1 LEU 129 -4.683 -18.388 1.793 1029 HD13 LEU 129 3HD1 LEU 129 -3.759 -19.859 1.488 1030 HD21 LEU 129 3HD2 LEU 129 -1.472 -19.710 3.500 1031 HD22 LEU 129 1HD2 LEU 129 -1.935 -18.679 4.855 1032 HD23 LEU 129 2HD2 LEU 129 -1.668 -17.973 3.261 1033 H SER 130 H SER 130 -5.640 -16.769 6.020 1034 HA SER 130 HA SER 130 -7.513 -15.751 6.815 1035 HB2 SER 130 1HB SER 130 -7.328 -13.405 5.021 1036 HB3 SER 130 2HB SER 130 -7.523 -13.474 6.772 1037 HG SER 130 HG SER 130 -5.405 -13.499 7.026 1038 H LEU 131 H LEU 131 -9.722 -15.178 6.246 1039 HA LEU 131 HA LEU 131 -10.559 -15.332 3.502 1040 HB2 LEU 131 1HB LEU 131 -12.108 -17.338 4.172 1041 HB3 LEU 131 2HB LEU 131 -10.475 -17.609 3.567 1042 HG LEU 131 HG LEU 131 -10.760 -17.404 6.501 1043 HD11 LEU 131 1HD1 LEU 131 -12.286 -18.987 6.765 1044 HD12 LEU 131 2HD1 LEU 131 -11.284 -20.103 5.837 1045 HD13 LEU 131 3HD1 LEU 131 -12.487 -19.108 5.016 1046 HD21 LEU 131 3HD2 LEU 131 -8.783 -18.125 4.761 1047 HD22 LEU 131 1HD2 LEU 131 -9.416 -19.691 5.271 1048 HD23 LEU 131 2HD2 LEU 131 -8.832 -18.542 6.475 1049 H ASP 132 H ASP 132 -10.815 -13.652 5.954 1050 HA ASP 132 HA ASP 132 -13.738 -13.700 6.283 1051 HB2 ASP 132 1HB ASP 132 -12.268 -13.832 8.336 1052 HB3 ASP 132 2HB ASP 132 -11.744 -12.189 7.976 1053 H GLU 133 H GLU 133 -14.928 -11.750 6.129 1054 HA GLU 133 HA GLU 133 -14.382 -10.149 3.952 1055 HB2 GLU 133 1HB GLU 133 -16.025 -8.517 5.053 1056 HB3 GLU 133 2HB GLU 133 -16.600 -10.143 4.714 1057 HG2 GLU 133 1HG GLU 133 -17.028 -10.533 6.852 1058 HG3 GLU 133 2HG GLU 133 -15.434 -9.969 7.349 1059 HA PRO 134 HA PRO 134 -11.433 -7.129 5.148 1060 HB2 PRO 134 1HB PRO 134 -12.321 -4.934 3.820 1061 HB3 PRO 134 2HB PRO 134 -11.567 -6.309 3.005 1062 HG2 PRO 134 1HG PRO 134 -14.470 -5.643 3.302 1063 HG3 PRO 134 2HG PRO 134 -13.597 -6.233 1.875 1064 HD2 PRO 134 1HD PRO 134 -15.089 -7.858 3.445 1065 HD3 PRO 134 2HD PRO 134 -13.630 -8.420 2.603 1066 H ILE 135 H ILE 135 -11.253 -4.817 6.007 1067 HA ILE 135 HA ILE 135 -13.460 -4.305 7.894 1068 HB ILE 135 HB ILE 135 -11.531 -5.102 9.111 1069 HG12 ILE 135 1HG1 ILE 135 -11.838 -2.103 9.381 1070 HG13 ILE 135 2HG1 ILE 135 -12.858 -3.316 10.146 1071 HG21 ILE 135 1HG2 ILE 135 -9.374 -4.007 9.023 1072 HG22 ILE 135 2HG2 ILE 135 -9.841 -4.545 7.411 1073 HG23 ILE 135 3HG2 ILE 135 -9.985 -2.843 7.848 1074 HD11 ILE 135 3HD1 ILE 135 -11.497 -3.343 11.881 1075 HD12 ILE 135 1HD1 ILE 135 -10.183 -3.895 10.842 1076 HD13 ILE 135 2HD1 ILE 135 -10.446 -2.169 11.090 1077 H ALA 136 H ALA 136 -11.132 -2.949 5.676 1078 HA ALA 136 HA ALA 136 -12.579 -0.395 5.802 1079 HB1 ALA 136 1HB ALA 136 -10.686 0.901 5.978 1080 HB2 ALA 136 2HB ALA 136 -10.263 -0.471 7.003 1081 HB3 ALA 136 3HB ALA 136 -9.628 -0.368 5.361 1082 H SER 137 H SER 137 -12.561 0.827 3.859 1083 HA SER 137 HA SER 137 -11.240 0.134 1.501 1084 HB2 SER 137 1HB SER 137 -13.243 -0.852 0.263 1085 HB3 SER 137 2HB SER 137 -12.425 -1.922 1.401 1086 HG SER 137 HG SER 137 -14.164 -1.978 2.587 1087 H GLU 138 H GLU 138 -11.758 1.505 -0.218 1088 HA GLU 138 HA GLU 138 -14.072 3.104 -0.356 1089 HB2 GLU 138 1HB GLU 138 -12.903 4.073 1.689 1090 HB3 GLU 138 2HB GLU 138 -11.657 4.642 0.587 1091 HG2 GLU 138 1HG GLU 138 -12.874 6.489 0.413 1092 HG3 GLU 138 2HG GLU 138 -13.958 5.537 -0.600 1093 H GLU 139 H GLU 139 -14.203 4.152 -2.294 1094 HA GLU 139 HA GLU 139 -12.105 3.581 -4.202 1095 HB2 GLU 139 1HB GLU 139 -14.944 4.295 -4.299 1096 HB3 GLU 139 2HB GLU 139 -13.983 5.079 -5.545 1097 HG2 GLU 139 1HG GLU 139 -13.131 2.434 -5.557 1098 HG3 GLU 139 2HG GLU 139 -14.880 2.348 -5.355 1099 H ILE 140 H ILE 140 -10.815 5.039 -5.241 1100 HA ILE 140 HA ILE 140 -11.156 7.886 -4.712 1101 HB ILE 140 HB ILE 140 -8.518 6.529 -4.161 1102 HG12 ILE 140 1HG1 ILE 140 -10.587 7.567 -2.212 1103 HG13 ILE 140 2HG1 ILE 140 -10.157 5.879 -2.461 1104 HG21 ILE 140 1HG2 ILE 140 -7.883 8.697 -3.235 1105 HG22 ILE 140 2HG2 ILE 140 -8.354 8.840 -4.928 1106 HG23 ILE 140 3HG2 ILE 140 -9.467 9.346 -3.657 1107 HD11 ILE 140 3HD1 ILE 140 -8.691 6.109 -0.823 1108 HD12 ILE 140 1HD1 ILE 140 -7.753 7.154 -1.890 1109 HD13 ILE 140 2HD1 ILE 140 -8.928 7.856 -0.777 1110 H THR 141 H THR 141 -10.481 9.162 -6.358 1111 HA THR 141 HA THR 141 -9.247 7.803 -8.660 1112 HB THR 141 HB THR 141 -10.658 10.438 -8.892 1113 HG1 THR 141 1HG THR 141 -12.153 9.074 -7.856 1114 HG21 THR 141 3HG2 THR 141 -9.753 9.967 -10.936 1115 HG22 THR 141 1HG2 THR 141 -11.280 9.104 -11.105 1116 HG23 THR 141 2HG2 THR 141 -9.811 8.223 -10.684 1117 H ILE 142 H ILE 142 -7.089 8.109 -8.217 1118 HA ILE 142 HA ILE 142 -6.122 10.801 -7.649 1119 HB ILE 142 HB ILE 142 -4.395 8.364 -7.993 1120 HG12 ILE 142 1HG1 ILE 142 -5.836 9.262 -5.488 1121 HG13 ILE 142 2HG1 ILE 142 -6.139 7.776 -6.383 1122 HG21 ILE 142 1HG2 ILE 142 -3.648 10.231 -5.934 1123 HG22 ILE 142 2HG2 ILE 142 -2.743 9.704 -7.352 1124 HG23 ILE 142 3HG2 ILE 142 -3.867 11.056 -7.477 1125 HD11 ILE 142 3HD1 ILE 142 -4.820 7.402 -4.359 1126 HD12 ILE 142 1HD1 ILE 142 -3.937 6.956 -5.818 1127 HD13 ILE 142 2HD1 ILE 142 -3.565 8.468 -4.989 1128 H THR 143 H THR 143 -5.415 12.123 -9.180 1129 HA THR 143 HA THR 143 -3.868 11.273 -11.406 1130 HB THR 143 HB THR 143 -6.136 10.577 -12.185 1131 HG1 THR 143 1HG THR 143 -5.289 12.745 -13.783 1132 HG21 THR 143 3HG2 THR 143 -6.862 13.122 -11.190 1133 HG22 THR 143 1HG2 THR 143 -7.897 11.922 -11.962 1134 HG23 THR 143 2HG2 THR 143 -7.104 13.160 -12.936 Start of MODEL 5 1 H1 MET 1 H MET 1 -26.243 -4.953 16.971 2 HA MET 1 HA MET 1 -24.450 -5.679 15.771 3 HB2 MET 1 1HB MET 1 -26.374 -7.333 14.958 4 HB3 MET 1 2HB MET 1 -26.113 -6.490 13.437 5 HG2 MET 1 1HG MET 1 -23.579 -7.184 14.503 6 HG3 MET 1 2HG MET 1 -24.616 -8.606 14.573 7 HE1 MET 1 3HE MET 1 -22.468 -9.474 11.837 8 HE2 MET 1 1HE MET 1 -23.259 -9.845 13.369 9 HE3 MET 1 2HE MET 1 -24.053 -10.249 11.847 10 H ASP 2 H ASP 2 -23.024 -4.561 14.577 11 HA ASP 2 HA ASP 2 -24.091 -2.617 12.636 12 HB2 ASP 2 1HB ASP 2 -22.084 -1.207 13.243 13 HB3 ASP 2 2HB ASP 2 -23.300 -1.365 14.507 14 H GLU 3 H GLU 3 -23.082 -5.391 12.273 15 HA GLU 3 HA GLU 3 -21.712 -6.585 10.897 16 HB2 GLU 3 1HB GLU 3 -22.921 -5.078 9.283 17 HB3 GLU 3 2HB GLU 3 -21.527 -4.007 9.335 18 HG2 GLU 3 1HG GLU 3 -20.596 -6.630 8.793 19 HG3 GLU 3 2HG GLU 3 -21.950 -6.291 7.716 20 H VAL 4 H VAL 4 -20.187 -6.369 12.819 21 HA VAL 4 HA VAL 4 -17.928 -4.622 12.529 22 HB VAL 4 HB VAL 4 -16.957 -5.961 14.399 23 HG11 VAL 4 1HG1 VAL 4 -19.279 -5.469 15.814 24 HG12 VAL 4 2HG1 VAL 4 -17.984 -4.313 15.497 25 HG13 VAL 4 3HG1 VAL 4 -19.390 -4.378 14.434 26 HG21 VAL 4 3HG2 VAL 4 -19.487 -7.332 14.953 27 HG22 VAL 4 1HG2 VAL 4 -18.618 -7.946 13.547 28 HG23 VAL 4 2HG2 VAL 4 -17.826 -7.901 15.122 29 H LEU 5 H LEU 5 -15.692 -5.434 12.399 30 HA LEU 5 HA LEU 5 -15.474 -7.840 10.714 31 HB2 LEU 5 1HB LEU 5 -13.810 -5.351 10.402 32 HB3 LEU 5 2HB LEU 5 -13.819 -6.769 9.357 33 HG LEU 5 HG LEU 5 -16.348 -5.229 9.653 34 HD11 LEU 5 1HD1 LEU 5 -14.264 -3.690 9.251 35 HD12 LEU 5 2HD1 LEU 5 -15.742 -3.470 8.316 36 HD13 LEU 5 3HD1 LEU 5 -14.374 -4.331 7.612 37 HD21 LEU 5 3HD2 LEU 5 -16.891 -6.185 7.658 38 HD22 LEU 5 1HD2 LEU 5 -15.771 -7.407 8.261 39 HD23 LEU 5 2HD2 LEU 5 -15.222 -6.211 7.086 40 H ALA 6 H ALA 6 -14.102 -9.318 11.455 41 HA ALA 6 HA ALA 6 -12.446 -10.340 12.635 42 HB1 ALA 6 1HB ALA 6 -10.376 -9.200 12.959 43 HB2 ALA 6 2HB ALA 6 -11.047 -8.660 11.419 44 HB3 ALA 6 3HB ALA 6 -11.160 -7.624 12.841 45 H THR 7 H THR 7 -14.754 -8.861 13.946 46 HA THR 7 HA THR 7 -15.550 -8.463 16.042 47 HB THR 7 HB THR 7 -13.364 -9.844 17.452 48 HG1 THR 7 1HG THR 7 -14.243 -11.905 16.528 49 HG21 THR 7 3HG2 THR 7 -16.355 -9.916 17.356 50 HG22 THR 7 1HG2 THR 7 -15.290 -9.578 18.719 51 HG23 THR 7 2HG2 THR 7 -15.464 -11.229 18.124 52 H SER 8 H SER 8 -13.889 -6.461 15.002 53 HA SER 8 HA SER 8 -12.847 -4.541 15.638 54 HB2 SER 8 1HB SER 8 -14.474 -5.236 17.796 55 HB3 SER 8 2HB SER 8 -12.904 -4.892 18.522 56 HG SER 8 HG SER 8 -14.703 -3.161 17.683 57 H ILE 9 H ILE 9 -10.755 -4.654 15.119 58 HA ILE 9 HA ILE 9 -8.924 -5.879 17.073 59 HB ILE 9 HB ILE 9 -8.597 -5.958 14.071 60 HG12 ILE 9 1HG1 ILE 9 -10.322 -7.512 14.793 61 HG13 ILE 9 2HG1 ILE 9 -8.873 -8.407 14.350 62 HG21 ILE 9 1HG2 ILE 9 -6.720 -6.215 16.214 63 HG22 ILE 9 2HG2 ILE 9 -6.863 -7.754 15.366 64 HG23 ILE 9 3HG2 ILE 9 -6.441 -6.293 14.475 65 HD11 ILE 9 3HD1 ILE 9 -10.315 -8.403 16.811 66 HD12 ILE 9 1HD1 ILE 9 -8.963 -9.418 16.310 67 HD13 ILE 9 2HD1 ILE 9 -8.659 -7.867 17.093 68 H GLY 10 H GLY 10 -8.529 -4.013 14.060 69 HA2 GLY 10 1HA GLY 10 -6.817 -2.148 15.574 70 HA3 GLY 10 2HA GLY 10 -6.669 -2.474 13.853 71 H THR 11 H THR 11 -7.031 -0.556 12.916 72 HA THR 11 HA THR 11 -9.627 0.484 12.712 73 HB THR 11 HB THR 11 -8.582 2.799 13.819 74 HG1 THR 11 1HG THR 11 -8.026 2.020 15.983 75 HG21 THR 11 3HG2 THR 11 -10.882 1.417 13.974 76 HG22 THR 11 1HG2 THR 11 -10.492 2.762 15.044 77 HG23 THR 11 2HG2 THR 11 -10.240 1.103 15.586 78 H TYR 12 H TYR 12 -9.790 1.921 11.036 79 HA TYR 12 HA TYR 12 -7.281 2.944 9.890 80 HB2 TYR 12 1HB TYR 12 -7.804 1.074 8.519 81 HB3 TYR 12 2HB TYR 12 -9.513 1.494 8.470 82 HD1 TYR 12 2HD TYR 12 -6.208 2.991 7.559 83 HD2 TYR 12 1HD TYR 12 -10.308 2.480 6.544 84 HE1 TYR 12 2HE TYR 12 -5.837 4.226 5.464 85 HE2 TYR 12 1HE TYR 12 -9.949 3.712 4.446 86 HH TYR 12 HH TYR 12 -7.208 5.555 3.844 87 H GLU 13 H GLU 13 -7.456 5.075 10.225 88 HA GLU 13 HA GLU 13 -9.282 6.630 8.755 89 HB2 GLU 13 1HB GLU 13 -10.613 7.609 10.547 90 HB3 GLU 13 2HB GLU 13 -10.882 5.874 10.458 91 HG2 GLU 13 1HG GLU 13 -9.182 5.646 12.311 92 HG3 GLU 13 2HG GLU 13 -9.278 7.397 12.488 93 H ASN 14 H ASN 14 -9.199 9.012 9.547 94 HA ASN 14 HA ASN 14 -7.916 10.861 9.873 95 HB2 ASN 14 1HB ASN 14 -6.352 9.250 11.887 96 HB3 ASN 14 2HB ASN 14 -6.645 10.987 11.876 97 HD21 ASN 14 1HD2 ASN 14 -7.187 8.903 13.901 98 HD22 ASN 14 2HD2 ASN 14 -8.869 9.050 14.267 99 H ARG 15 H ARG 15 -7.087 8.817 7.919 100 HA ARG 15 HA ARG 15 -5.396 8.465 6.439 101 HB2 ARG 15 1HB ARG 15 -5.243 11.115 7.072 102 HB3 ARG 15 2HB ARG 15 -3.625 10.568 7.489 103 HG2 ARG 15 1HG ARG 15 -3.696 11.393 5.213 104 HG3 ARG 15 2HG ARG 15 -3.349 9.663 5.236 105 HD2 ARG 15 1HD ARG 15 -5.020 10.443 3.507 106 HD3 ARG 15 2HD ARG 15 -5.539 9.116 4.546 107 HE ARG 15 HE ARG 15 -6.319 11.691 5.535 108 HH11 ARG 15 1HH1 ARG 15 -7.157 9.111 3.352 109 HH12 ARG 15 2HH1 ARG 15 -8.848 9.488 3.350 110 HH21 ARG 15 1HH2 ARG 15 -8.543 12.196 5.540 111 HH22 ARG 15 2HH2 ARG 15 -9.635 11.243 4.594 112 H THR 16 H THR 16 -5.364 6.950 8.776 113 HA THR 16 HA THR 16 -2.629 6.084 8.794 114 HB THR 16 HB THR 16 -3.796 7.240 11.332 115 HG1 THR 16 1HG THR 16 -1.691 7.961 9.589 116 HG21 THR 16 3HG2 THR 16 -1.251 5.667 10.915 117 HG22 THR 16 1HG2 THR 16 -2.665 5.142 11.828 118 HG23 THR 16 2HG2 THR 16 -1.700 6.502 12.402 119 H LEU 17 H LEU 17 -2.407 3.978 9.486 120 HA LEU 17 HA LEU 17 -4.914 2.619 10.219 121 HB2 LEU 17 1HB LEU 17 -3.268 2.150 8.079 122 HB3 LEU 17 2HB LEU 17 -2.719 0.950 9.248 123 HG LEU 17 HG LEU 17 -5.603 0.965 9.040 124 HD11 LEU 17 1HD1 LEU 17 -5.983 0.518 6.830 125 HD12 LEU 17 2HD1 LEU 17 -4.319 0.018 6.528 126 HD13 LEU 17 3HD1 LEU 17 -4.709 1.730 6.690 127 HD21 LEU 17 3HD2 LEU 17 -4.830 -1.463 8.222 128 HD22 LEU 17 1HD2 LEU 17 -4.843 -0.977 9.918 129 HD23 LEU 17 2HD2 LEU 17 -3.338 -0.934 9.000 130 H LEU 18 H LEU 18 -4.669 0.669 11.573 131 HA LEU 18 HA LEU 18 -2.289 0.592 13.253 132 HB2 LEU 18 1HB LEU 18 -4.523 2.015 14.058 133 HB3 LEU 18 2HB LEU 18 -4.697 0.461 14.871 134 HG LEU 18 HG LEU 18 -2.407 2.405 15.123 135 HD11 LEU 18 1HD1 LEU 18 -3.139 2.235 17.558 136 HD12 LEU 18 2HD1 LEU 18 -4.622 1.507 16.939 137 HD13 LEU 18 3HD1 LEU 18 -4.179 3.147 16.463 138 HD21 LEU 18 3HD2 LEU 18 -1.162 0.571 15.464 139 HD22 LEU 18 1HD2 LEU 18 -2.571 -0.471 15.665 140 HD23 LEU 18 2HD2 LEU 18 -1.992 0.500 17.019 141 H VAL 19 H VAL 19 -1.770 -1.431 13.826 142 HA VAL 19 HA VAL 19 -3.759 -3.489 14.153 143 HB VAL 19 HB VAL 19 -2.403 -4.965 12.454 144 HG11 VAL 19 1HG1 VAL 19 -4.292 -3.018 11.196 145 HG12 VAL 19 2HG1 VAL 19 -4.161 -4.762 10.964 146 HG13 VAL 19 3HG1 VAL 19 -4.860 -4.119 12.451 147 HG21 VAL 19 3HG2 VAL 19 -0.761 -3.224 11.914 148 HG22 VAL 19 1HG2 VAL 19 -1.667 -3.730 10.488 149 HG23 VAL 19 2HG2 VAL 19 -2.054 -2.204 11.284 150 HA PRO 20 HA PRO 20 -0.734 -5.204 16.831 151 HB2 PRO 20 1HB PRO 20 -1.229 -7.865 16.612 152 HB3 PRO 20 2HB PRO 20 -2.314 -6.752 17.454 153 HG2 PRO 20 1HG PRO 20 -2.515 -7.858 14.680 154 HG3 PRO 20 2HG PRO 20 -3.787 -7.656 15.898 155 HD2 PRO 20 1HD PRO 20 -3.448 -5.924 13.845 156 HD3 PRO 20 2HD PRO 20 -4.048 -5.413 15.436 157 H ASP 21 H ASP 21 -0.674 -5.871 13.490 158 HA ASP 21 HA ASP 21 1.732 -7.490 13.578 159 HB2 ASP 21 1HB ASP 21 -0.246 -6.717 11.544 160 HB3 ASP 21 2HB ASP 21 1.410 -6.796 10.949 161 H GLY 22 H GLY 22 0.789 -4.238 12.498 162 HA2 GLY 22 1HA GLY 22 3.501 -3.313 13.021 163 HA3 GLY 22 2HA GLY 22 2.954 -3.187 11.356 164 H ARG 23 H ARG 23 3.305 -0.884 11.631 165 HA ARG 23 HA ARG 23 0.903 0.409 12.680 166 HB2 ARG 23 1HB ARG 23 3.067 0.446 14.246 167 HB3 ARG 23 2HB ARG 23 3.480 1.800 13.201 168 HG2 ARG 23 1HG ARG 23 0.770 2.090 14.007 169 HG3 ARG 23 2HG ARG 23 1.752 1.761 15.436 170 HD2 ARG 23 1HD ARG 23 1.525 4.183 14.870 171 HD3 ARG 23 2HD ARG 23 3.189 3.606 14.963 172 HE ARG 23 HE ARG 23 2.070 3.560 12.310 173 HH11 ARG 23 1HH1 ARG 23 3.772 5.451 14.686 174 HH12 ARG 23 2HH1 ARG 23 4.486 6.514 13.520 175 HH21 ARG 23 1HH2 ARG 23 3.003 4.954 10.764 176 HH22 ARG 23 2HH2 ARG 23 4.047 6.231 11.289 177 H LEU 24 H LEU 24 0.314 0.678 10.494 178 HA LEU 24 HA LEU 24 2.057 2.230 8.763 179 HB2 LEU 24 1HB LEU 24 0.849 0.373 7.796 180 HB3 LEU 24 2HB LEU 24 -0.685 1.056 8.330 181 HG LEU 24 HG LEU 24 0.551 3.010 6.716 182 HD11 LEU 24 1HD1 LEU 24 0.588 1.579 4.574 183 HD12 LEU 24 2HD1 LEU 24 0.843 0.220 5.668 184 HD13 LEU 24 3HD1 LEU 24 1.998 1.552 5.633 185 HD21 LEU 24 3HD2 LEU 24 -1.840 1.243 6.605 186 HD22 LEU 24 1HD2 LEU 24 -1.390 2.141 5.156 187 HD23 LEU 24 2HD2 LEU 24 -1.734 3.004 6.655 188 H ALA 25 H ALA 25 1.705 4.308 8.101 189 HA ALA 25 HA ALA 25 -0.691 5.709 9.004 190 HB1 ALA 25 1HB ALA 25 0.440 7.407 10.182 191 HB2 ALA 25 2HB ALA 25 1.109 5.888 10.779 192 HB3 ALA 25 3HB ALA 25 2.018 6.856 9.619 193 H LEU 26 H LEU 26 -1.445 6.473 7.134 194 HA LEU 26 HA LEU 26 0.185 7.090 4.895 195 HB2 LEU 26 1HB LEU 26 -2.678 7.821 5.491 196 HB3 LEU 26 2HB LEU 26 -1.890 8.016 3.927 197 HG LEU 26 HG LEU 26 -1.630 5.297 4.791 198 HD11 LEU 26 1HD1 LEU 26 -4.502 6.008 4.439 199 HD12 LEU 26 2HD1 LEU 26 -3.771 6.139 6.038 200 HD13 LEU 26 3HD1 LEU 26 -3.774 4.590 5.195 201 HD21 LEU 26 3HD2 LEU 26 -3.048 6.679 2.520 202 HD22 LEU 26 1HD2 LEU 26 -2.896 4.928 2.663 203 HD23 LEU 26 2HD2 LEU 26 -1.452 5.927 2.498 204 H THR 27 H THR 27 1.537 8.756 4.841 205 HA THR 27 HA THR 27 1.135 11.114 6.434 206 HB THR 27 HB THR 27 3.199 11.940 5.243 207 HG1 THR 27 1HG THR 27 4.305 10.346 3.985 208 HG21 THR 27 3HG2 THR 27 3.587 9.190 6.407 209 HG22 THR 27 1HG2 THR 27 3.162 10.587 7.396 210 HG23 THR 27 2HG2 THR 27 4.675 10.575 6.490 211 H ALA 28 H ALA 28 1.464 10.591 2.917 212 HA ALA 28 HA ALA 28 -0.741 12.124 2.169 213 HB1 ALA 28 1HB ALA 28 -0.101 14.259 2.091 214 HB2 ALA 28 2HB ALA 28 1.234 13.780 3.140 215 HB3 ALA 28 3HB ALA 28 1.467 13.850 1.394 216 H LEU 29 H LEU 29 -1.031 10.648 0.563 217 HA LEU 29 HA LEU 29 0.917 9.569 -1.105 218 HB2 LEU 29 1HB LEU 29 -1.935 10.101 -1.903 219 HB3 LEU 29 2HB LEU 29 -0.864 8.844 -2.518 220 HG LEU 29 HG LEU 29 -1.482 8.787 0.381 221 HD11 LEU 29 1HD1 LEU 29 -3.592 7.571 -0.066 222 HD12 LEU 29 2HD1 LEU 29 -3.484 8.069 -1.754 223 HD13 LEU 29 3HD1 LEU 29 -3.668 9.282 -0.487 224 HD21 LEU 29 3HD2 LEU 29 -0.072 7.074 -0.369 225 HD22 LEU 29 1HD2 LEU 29 -1.025 6.806 -1.828 226 HD23 LEU 29 2HD2 LEU 29 -1.662 6.318 -0.257 227 H HIS 30 H HIS 30 1.810 10.147 -3.031 228 HA HIS 30 HA HIS 30 0.991 12.716 -4.203 229 HB2 HIS 30 1HB HIS 30 3.847 11.828 -3.745 230 HB3 HIS 30 2HB HIS 30 3.349 13.303 -4.568 231 HD1 HIS 30 1HD HIS 30 1.279 14.404 -2.641 232 HD2 HIS 30 2HD HIS 30 4.884 12.742 -1.414 233 HE1 HIS 30 1HE HIS 30 1.725 15.371 -0.363 234 H LYS 31 H LYS 31 1.318 12.929 -6.438 235 HA LYS 31 HA LYS 31 1.605 10.363 -7.833 236 HB2 LYS 31 1HB LYS 31 0.022 12.811 -8.289 237 HB3 LYS 31 2HB LYS 31 0.713 12.089 -9.737 238 HG2 LYS 31 1HG LYS 31 -0.302 9.890 -8.850 239 HG3 LYS 31 2HG LYS 31 -1.280 10.943 -7.826 240 HD2 LYS 31 1HD LYS 31 -2.579 10.569 -9.753 241 HD3 LYS 31 2HD LYS 31 -1.897 12.184 -9.961 242 HE2 LYS 31 1HE LYS 31 -0.018 10.996 -11.251 243 HE3 LYS 31 2HE LYS 31 -1.117 9.619 -11.311 244 HZ1 LYS 31 3HZ LYS 31 -1.071 11.524 -13.153 245 HZ2 LYS 31 1HZ LYS 31 -2.228 12.184 -12.110 246 HZ3 LYS 31 2HZ LYS 31 -2.466 10.647 -12.773 247 H GLY 32 H GLY 32 2.924 10.161 -9.673 248 HA2 GLY 32 1HA GLY 32 4.779 12.377 -10.207 249 HA3 GLY 32 2HA GLY 32 5.436 10.808 -9.768 250 H LYS 33 H LYS 33 6.531 10.815 -11.809 251 HA LYS 33 HA LYS 33 4.772 9.956 -14.005 252 HB2 LYS 33 1HB LYS 33 6.804 12.102 -13.983 253 HB3 LYS 33 2HB LYS 33 6.853 11.025 -15.373 254 HG2 LYS 33 1HG LYS 33 4.355 11.486 -15.602 255 HG3 LYS 33 2HG LYS 33 4.624 12.817 -14.474 256 HD2 LYS 33 1HD LYS 33 6.407 12.573 -16.849 257 HD3 LYS 33 2HD LYS 33 4.767 13.184 -17.080 258 HE2 LYS 33 1HE LYS 33 5.209 14.872 -15.312 259 HE3 LYS 33 2HE LYS 33 6.876 14.305 -15.239 260 HZ1 LYS 33 3HZ LYS 33 7.153 15.959 -16.728 261 HZ2 LYS 33 1HZ LYS 33 5.551 15.916 -17.268 262 HZ3 LYS 33 2HZ LYS 33 6.664 14.775 -17.832 263 H ASP 34 H ASP 34 5.631 8.388 -15.408 264 HA ASP 34 HA ASP 34 8.051 7.042 -14.397 265 HB2 ASP 34 1HB ASP 34 7.090 4.932 -14.816 266 HB3 ASP 34 2HB ASP 34 5.797 5.865 -14.068 267 H TYR 35 H TYR 35 8.040 5.118 -16.547 268 HA TYR 35 HA TYR 35 9.718 6.351 -18.370 269 HB2 TYR 35 1HB TYR 35 9.131 4.346 -19.861 270 HB3 TYR 35 2HB TYR 35 9.814 4.002 -18.276 271 HD1 TYR 35 2HD TYR 35 6.643 4.113 -20.190 272 HD2 TYR 35 1HD TYR 35 8.625 2.712 -16.696 273 HE1 TYR 35 2HE TYR 35 4.712 2.679 -19.677 274 HE2 TYR 35 1HE TYR 35 6.700 1.273 -16.174 275 HH TYR 35 HH TYR 35 3.852 1.173 -18.297 276 H GLN 36 H GLN 36 6.230 6.029 -18.406 277 HA GLN 36 HA GLN 36 6.092 7.285 -21.047 278 HB2 GLN 36 1HB GLN 36 4.234 5.654 -19.398 279 HB3 GLN 36 2HB GLN 36 3.516 6.859 -20.460 280 HG2 GLN 36 1HG GLN 36 5.380 5.572 -22.054 281 HG3 GLN 36 2HG GLN 36 4.663 4.283 -21.088 282 HE21 GLN 36 1HE2 GLN 36 2.163 4.636 -20.874 283 HE22 GLN 36 2HE2 GLN 36 1.351 4.896 -22.377 284 H GLY 37 H GLY 37 6.805 8.612 -18.413 285 HA2 GLY 37 1HA GLY 37 6.143 10.449 -17.138 286 HA3 GLY 37 2HA GLY 37 6.031 11.139 -18.751 287 H LYS 38 H LYS 38 4.002 8.768 -17.041 288 HA LYS 38 HA LYS 38 1.844 10.611 -16.693 289 HB2 LYS 38 1HB LYS 38 1.977 9.007 -19.131 290 HB3 LYS 38 2HB LYS 38 0.490 8.751 -18.227 291 HG2 LYS 38 1HG LYS 38 -0.222 10.914 -18.517 292 HG3 LYS 38 2HG LYS 38 1.414 11.536 -18.745 293 HD2 LYS 38 1HD LYS 38 -0.029 9.759 -20.711 294 HD3 LYS 38 2HD LYS 38 0.047 11.519 -20.824 295 HE2 LYS 38 1HE LYS 38 2.615 11.154 -20.682 296 HE3 LYS 38 2HE LYS 38 2.230 9.500 -21.156 297 HZ1 LYS 38 3HZ LYS 38 2.755 11.029 -23.030 298 HZ2 LYS 38 1HZ LYS 38 1.339 11.885 -22.677 299 HZ3 LYS 38 2HZ LYS 38 1.250 10.266 -23.160 300 HA PRO 39 HA PRO 39 0.349 6.289 -15.224 301 HB2 PRO 39 1HB PRO 39 1.758 4.104 -16.006 302 HB3 PRO 39 2HB PRO 39 0.430 4.782 -16.956 303 HG2 PRO 39 1HG PRO 39 3.382 5.139 -17.302 304 HG3 PRO 39 2HG PRO 39 2.137 4.858 -18.533 305 HD2 PRO 39 1HD PRO 39 3.157 7.315 -18.028 306 HD3 PRO 39 2HD PRO 39 1.480 7.067 -18.554 307 H MET 40 H MET 40 1.261 7.258 -13.316 308 HA MET 40 HA MET 40 3.174 5.548 -12.025 309 HB2 MET 40 1HB MET 40 4.588 7.199 -13.305 310 HB3 MET 40 2HB MET 40 3.896 8.467 -12.302 311 HG2 MET 40 1HG MET 40 6.046 7.840 -11.441 312 HG3 MET 40 2HG MET 40 4.791 7.349 -10.306 313 HE1 MET 40 3HE MET 40 5.119 5.777 -9.076 314 HE2 MET 40 1HE MET 40 5.024 4.086 -9.570 315 HE3 MET 40 2HE MET 40 6.585 4.798 -9.161 316 H PHE 41 H PHE 41 3.295 5.898 -9.747 317 HA PHE 41 HA PHE 41 1.740 7.960 -8.500 318 HB2 PHE 41 1HB PHE 41 -0.197 6.756 -8.837 319 HB3 PHE 41 2HB PHE 41 0.638 5.206 -8.821 320 HD1 PHE 41 1HD PHE 41 -0.812 7.862 -6.751 321 HD2 PHE 41 2HD PHE 41 1.021 4.020 -6.776 322 HE1 PHE 41 1HE PHE 41 -1.500 7.522 -4.413 323 HE2 PHE 41 2HE PHE 41 0.336 3.674 -4.439 324 HZ PHE 41 HZ PHE 41 -0.927 5.426 -3.255 325 H TYR 42 H TYR 42 2.158 8.154 -6.308 326 HA TYR 42 HA TYR 42 4.043 6.200 -5.167 327 HB2 TYR 42 1HB TYR 42 4.194 9.209 -4.895 328 HB3 TYR 42 2HB TYR 42 5.260 8.054 -4.103 329 HD1 TYR 42 2HD TYR 42 5.983 6.179 -6.152 330 HD2 TYR 42 1HD TYR 42 5.398 10.380 -6.479 331 HE1 TYR 42 2HE TYR 42 7.489 6.231 -8.096 332 HE2 TYR 42 1HE TYR 42 6.901 10.444 -8.425 333 HH TYR 42 HH TYR 42 7.626 8.607 -10.251 334 H VAL 43 H VAL 43 3.380 5.374 -3.305 335 HA VAL 43 HA VAL 43 1.199 6.704 -1.865 336 HB VAL 43 HB VAL 43 0.636 4.460 -2.357 337 HG11 VAL 43 1HG1 VAL 43 2.797 3.588 -2.948 338 HG12 VAL 43 2HG1 VAL 43 3.348 3.706 -1.275 339 HG13 VAL 43 3HG1 VAL 43 2.086 2.552 -1.710 340 HG21 VAL 43 3HG2 VAL 43 0.771 5.384 0.233 341 HG22 VAL 43 1HG2 VAL 43 -0.132 3.972 -0.317 342 HG23 VAL 43 2HG2 VAL 43 1.493 3.779 0.341 343 H LEU 44 H LEU 44 2.273 8.240 -0.656 344 HA LEU 44 HA LEU 44 4.619 7.683 0.857 345 HB2 LEU 44 1HB LEU 44 2.616 9.924 0.929 346 HB3 LEU 44 2HB LEU 44 4.012 9.861 2.003 347 HG LEU 44 HG LEU 44 4.481 11.338 0.163 348 HD11 LEU 44 1HD1 LEU 44 6.063 9.003 -0.701 349 HD12 LEU 44 2HD1 LEU 44 6.129 9.401 1.016 350 HD13 LEU 44 3HD1 LEU 44 6.587 10.607 -0.186 351 HD21 LEU 44 3HD2 LEU 44 4.179 9.067 -1.771 352 HD22 LEU 44 1HD2 LEU 44 4.268 10.799 -2.093 353 HD23 LEU 44 2HD2 LEU 44 2.816 10.112 -1.365 354 H PHE 45 H PHE 45 4.215 5.877 2.135 355 HA PHE 45 HA PHE 45 2.270 6.282 4.311 356 HB2 PHE 45 1HB PHE 45 1.989 3.903 4.457 357 HB3 PHE 45 2HB PHE 45 1.798 4.358 2.767 358 HD1 PHE 45 1HD PHE 45 4.058 2.790 5.214 359 HD2 PHE 45 2HD PHE 45 3.286 3.562 1.100 360 HE1 PHE 45 1HE PHE 45 5.788 1.157 4.586 361 HE2 PHE 45 2HE PHE 45 5.014 1.930 0.465 362 HZ PHE 45 HZ PHE 45 6.267 0.724 2.209 363 H GLU 46 H GLU 46 2.862 5.436 6.410 364 HA GLU 46 HA GLU 46 5.780 5.334 6.814 365 HB2 GLU 46 1HB GLU 46 4.325 7.384 7.655 366 HB3 GLU 46 2HB GLU 46 3.974 6.293 8.987 367 HG2 GLU 46 1HG GLU 46 6.810 6.664 8.197 368 HG3 GLU 46 2HG GLU 46 6.002 7.974 9.056 369 H LEU 47 H LEU 47 5.454 2.993 6.557 370 HA LEU 47 HA LEU 47 3.990 1.604 8.624 371 HB2 LEU 47 1HB LEU 47 4.074 0.713 6.355 372 HB3 LEU 47 2HB LEU 47 5.828 0.578 6.465 373 HG LEU 47 HG LEU 47 4.383 -1.541 6.747 374 HD11 LEU 47 1HD1 LEU 47 6.134 -1.535 9.055 375 HD12 LEU 47 2HD1 LEU 47 6.890 -0.793 7.645 376 HD13 LEU 47 3HD1 LEU 47 6.257 -2.436 7.543 377 HD21 LEU 47 3HD2 LEU 47 3.622 -1.985 9.003 378 HD22 LEU 47 1HD2 LEU 47 2.818 -0.548 8.369 379 HD23 LEU 47 2HD2 LEU 47 4.142 -0.381 9.522 380 H THR 48 H THR 48 4.793 1.372 10.595 381 HA THR 48 HA THR 48 7.690 1.393 10.995 382 HB THR 48 HB THR 48 5.843 1.229 13.318 383 HG1 THR 48 1HG THR 48 5.478 3.529 13.119 384 HG21 THR 48 3HG2 THR 48 8.235 1.402 13.679 385 HG22 THR 48 1HG2 THR 48 7.446 2.883 14.221 386 HG23 THR 48 2HG2 THR 48 8.308 2.855 12.682 387 H ASN 49 H ASN 49 8.682 -0.511 10.968 388 HA ASN 49 HA ASN 49 7.330 -2.986 11.341 389 HB2 ASN 49 1HB ASN 49 9.391 -2.609 9.920 390 HB3 ASN 49 2HB ASN 49 10.317 -2.537 11.417 391 HD21 ASN 49 1HD2 ASN 49 11.446 -4.346 11.503 392 HD22 ASN 49 2HD2 ASN 49 10.814 -5.941 11.297 393 H THR 50 H THR 50 6.370 -2.653 13.433 394 HA THR 50 HA THR 50 7.823 -2.181 15.787 395 HB THR 50 HB THR 50 5.871 -3.219 16.963 396 HG1 THR 50 1HG THR 50 4.703 -4.551 15.819 397 HG21 THR 50 3HG2 THR 50 4.773 -1.272 16.773 398 HG22 THR 50 1HG2 THR 50 4.505 -1.491 15.045 399 HG23 THR 50 2HG2 THR 50 6.031 -0.823 15.623 400 H THR 51 H THR 51 7.652 -4.941 13.794 401 HA THR 51 HA THR 51 8.043 -6.995 15.679 402 HB THR 51 HB THR 51 8.674 -8.397 13.872 403 HG1 THR 51 1HG THR 51 9.298 -7.473 11.833 404 HG21 THR 51 3HG2 THR 51 6.334 -7.586 13.819 405 HG22 THR 51 1HG2 THR 51 6.951 -7.992 12.218 406 HG23 THR 51 2HG2 THR 51 6.830 -6.304 12.715 407 H GLU 52 H GLU 52 10.318 -8.345 14.913 408 HA GLU 52 HA GLU 52 12.526 -6.524 15.582 409 HB2 GLU 52 1HB GLU 52 11.952 -9.193 16.879 410 HB3 GLU 52 2HB GLU 52 13.443 -8.286 17.090 411 HG2 GLU 52 1HG GLU 52 11.812 -6.377 17.834 412 HG3 GLU 52 2HG GLU 52 10.717 -7.724 18.137 413 H LYS 53 H LYS 53 11.770 -7.596 13.038 414 HA LYS 53 HA LYS 53 14.092 -9.331 12.504 415 HB2 LYS 53 1HB LYS 53 11.517 -9.303 10.926 416 HB3 LYS 53 2HB LYS 53 12.866 -10.416 10.739 417 HG2 LYS 53 1HG LYS 53 11.039 -10.221 13.125 418 HG3 LYS 53 2HG LYS 53 11.023 -11.484 11.891 419 HD2 LYS 53 1HD LYS 53 13.611 -11.584 12.669 420 HD3 LYS 53 2HD LYS 53 12.841 -11.083 14.177 421 HE2 LYS 53 1HE LYS 53 12.412 -13.249 14.504 422 HE3 LYS 53 2HE LYS 53 11.181 -13.077 13.255 423 HZ1 LYS 53 3HZ LYS 53 13.681 -13.467 12.033 424 HZ2 LYS 53 1HZ LYS 53 12.312 -14.461 11.975 425 HZ3 LYS 53 2HZ LYS 53 13.461 -14.673 13.198 426 H THR 54 H THR 54 15.098 -9.064 10.416 427 HA THR 54 HA THR 54 14.794 -6.320 9.387 428 HB THR 54 HB THR 54 17.256 -7.998 8.981 429 HG1 THR 54 1HG THR 54 16.879 -6.180 11.136 430 HG21 THR 54 3HG2 THR 54 16.565 -5.082 8.841 431 HG22 THR 54 1HG2 THR 54 17.328 -6.101 7.621 432 HG23 THR 54 2HG2 THR 54 18.234 -5.609 9.052 433 H GLN 55 H GLN 55 13.439 -8.930 8.594 434 HA GLN 55 HA GLN 55 14.385 -9.749 6.080 435 HB2 GLN 55 1HB GLN 55 12.104 -10.660 5.747 436 HB3 GLN 55 2HB GLN 55 12.794 -11.096 7.305 437 HG2 GLN 55 1HG GLN 55 11.472 -8.822 7.946 438 HG3 GLN 55 2HG GLN 55 10.444 -9.466 6.668 439 HE21 GLN 55 1HE2 GLN 55 9.770 -9.193 9.424 440 HE22 GLN 55 2HE2 GLN 55 9.455 -10.777 10.037 441 H ASN 56 H ASN 56 12.751 -9.527 4.107 442 HA ASN 56 HA ASN 56 13.072 -7.003 3.039 443 HB2 ASN 56 1HB ASN 56 12.432 -9.213 1.875 444 HB3 ASN 56 2HB ASN 56 10.768 -8.772 2.247 445 HD21 ASN 56 1HD2 ASN 56 13.669 -7.781 0.545 446 HD22 ASN 56 2HD2 ASN 56 12.873 -6.768 -0.607 447 H ILE 57 H ILE 57 11.180 -5.610 2.218 448 HA ILE 57 HA ILE 57 9.524 -4.943 4.546 449 HB ILE 57 HB ILE 57 9.777 -3.160 2.157 450 HG12 ILE 57 1HG1 ILE 57 11.817 -3.467 4.368 451 HG13 ILE 57 2HG1 ILE 57 12.077 -3.744 2.649 452 HG21 ILE 57 1HG2 ILE 57 8.767 -1.674 3.471 453 HG22 ILE 57 2HG2 ILE 57 8.482 -2.996 4.603 454 HG23 ILE 57 3HG2 ILE 57 9.901 -1.966 4.790 455 HD11 ILE 57 3HD1 ILE 57 12.803 -1.659 2.530 456 HD12 ILE 57 1HD1 ILE 57 11.142 -1.136 2.806 457 HD13 ILE 57 2HD1 ILE 57 12.251 -1.306 4.167 458 H GLN 58 H GLN 58 9.331 -5.431 1.041 459 HA GLN 58 HA GLN 58 6.619 -4.939 0.681 460 HB2 GLN 58 1HB GLN 58 7.855 -5.185 -1.284 461 HB3 GLN 58 2HB GLN 58 8.597 -6.685 -0.745 462 HG2 GLN 58 1HG GLN 58 6.511 -7.867 -1.048 463 HG3 GLN 58 2HG GLN 58 5.700 -6.366 -1.494 464 HE21 GLN 58 1HE2 GLN 58 7.000 -5.171 -3.308 465 HE22 GLN 58 2HE2 GLN 58 7.400 -6.161 -4.666 466 H LEU 59 H LEU 59 8.197 -7.578 2.226 467 HA LEU 59 HA LEU 59 6.119 -9.503 1.961 468 HB2 LEU 59 1HB LEU 59 8.702 -9.338 3.164 469 HB3 LEU 59 2HB LEU 59 7.560 -9.968 4.349 470 HG LEU 59 HG LEU 59 8.685 -11.773 3.170 471 HD11 LEU 59 1HD1 LEU 59 6.098 -11.684 3.758 472 HD12 LEU 59 2HD1 LEU 59 6.837 -13.077 2.970 473 HD13 LEU 59 3HD1 LEU 59 5.959 -11.885 2.012 474 HD21 LEU 59 3HD2 LEU 59 8.930 -10.322 1.047 475 HD22 LEU 59 1HD2 LEU 59 7.335 -10.948 0.628 476 HD23 LEU 59 2HD2 LEU 59 8.683 -12.060 0.867 477 H MET 60 H MET 60 6.459 -6.691 3.842 478 HA MET 60 HA MET 60 4.456 -7.603 5.785 479 HB2 MET 60 1HB MET 60 6.589 -5.541 5.813 480 HB3 MET 60 2HB MET 60 5.113 -5.159 6.689 481 HG2 MET 60 1HG MET 60 6.075 -7.838 7.251 482 HG3 MET 60 2HG MET 60 7.260 -6.593 7.641 483 HE1 MET 60 3HE MET 60 5.253 -4.322 10.125 484 HE2 MET 60 1HE MET 60 6.780 -4.564 9.276 485 HE3 MET 60 2HE MET 60 5.329 -4.129 8.373 486 H ILE 61 H ILE 61 5.170 -4.833 3.665 487 HA ILE 61 HA ILE 61 2.759 -3.474 4.003 488 HB ILE 61 HB ILE 61 4.532 -3.576 1.561 489 HG12 ILE 61 1HG1 ILE 61 5.673 -2.781 3.582 490 HG13 ILE 61 2HG1 ILE 61 5.443 -1.467 2.434 491 HG21 ILE 61 1HG2 ILE 61 3.350 -1.159 1.449 492 HG22 ILE 61 2HG2 ILE 61 2.749 -2.583 0.602 493 HG23 ILE 61 3HG2 ILE 61 2.043 -2.114 2.149 494 HD11 ILE 61 3HD1 ILE 61 3.538 -0.669 3.727 495 HD12 ILE 61 1HD1 ILE 61 3.762 -1.989 4.874 496 HD13 ILE 61 2HD1 ILE 61 5.001 -0.745 4.708 497 H GLN 62 H GLN 62 3.526 -6.287 2.115 498 HA GLN 62 HA GLN 62 1.196 -6.172 0.450 499 HB2 GLN 62 1HB GLN 62 3.307 -8.234 0.993 500 HB3 GLN 62 2HB GLN 62 1.858 -8.667 0.094 501 HG2 GLN 62 1HG GLN 62 2.377 -6.818 -1.493 502 HG3 GLN 62 2HG GLN 62 3.905 -6.592 -0.644 503 HE21 GLN 62 1HE2 GLN 62 4.624 -9.195 -0.152 504 HE22 GLN 62 2HE2 GLN 62 4.943 -9.998 -1.648 505 H SER 63 H SER 63 1.580 -6.771 3.675 506 HA SER 63 HA SER 63 -0.732 -8.594 3.767 507 HB2 SER 63 1HB SER 63 1.684 -9.004 4.931 508 HB3 SER 63 2HB SER 63 0.840 -8.173 6.238 509 HG SER 63 HG SER 63 0.174 -10.164 6.586 510 H PHE 64 H PHE 64 -0.001 -5.428 3.975 511 HA PHE 64 HA PHE 64 -1.995 -4.899 6.076 512 HB2 PHE 64 1HB PHE 64 0.322 -3.253 5.067 513 HB3 PHE 64 2HB PHE 64 -0.968 -2.559 6.043 514 HD1 PHE 64 1HD PHE 64 -1.479 -4.704 7.975 515 HD2 PHE 64 2HD PHE 64 2.194 -3.213 6.426 516 HE1 PHE 64 1HE PHE 64 -0.324 -5.434 10.022 517 HE2 PHE 64 2HE PHE 64 3.355 -3.940 8.469 518 HZ PHE 64 HZ PHE 64 2.097 -5.053 10.270 519 H MET 65 H MET 65 -0.793 -2.939 3.368 520 HA MET 65 HA MET 65 -3.508 -2.138 2.744 521 HB2 MET 65 1HB MET 65 -2.466 -0.585 1.165 522 HB3 MET 65 2HB MET 65 -1.730 -0.456 2.757 523 HG2 MET 65 1HG MET 65 0.042 -2.071 1.849 524 HG3 MET 65 2HG MET 65 -0.606 -1.663 0.261 525 HE1 MET 65 3HE MET 65 -0.428 1.700 -0.310 526 HE2 MET 65 1HE MET 65 1.094 1.031 -0.898 527 HE3 MET 65 2HE MET 65 -0.374 0.055 -0.946 528 H GLU 66 H GLU 66 -4.280 -2.147 0.486 529 HA GLU 66 HA GLU 66 -3.238 -4.417 -1.067 530 HB2 GLU 66 1HB GLU 66 -5.151 -5.337 -0.035 531 HB3 GLU 66 2HB GLU 66 -6.084 -3.865 -0.264 532 HG2 GLU 66 1HG GLU 66 -6.140 -4.260 -2.666 533 HG3 GLU 66 2HG GLU 66 -5.181 -5.723 -2.453 534 H VAL 67 H VAL 67 -3.011 -4.052 -3.193 535 HA VAL 67 HA VAL 67 -4.450 -1.828 -4.438 536 HB VAL 67 HB VAL 67 -1.470 -2.147 -4.778 537 HG11 VAL 67 1HG1 VAL 67 -1.790 -0.814 -6.526 538 HG12 VAL 67 2HG1 VAL 67 -3.506 -0.654 -6.147 539 HG13 VAL 67 3HG1 VAL 67 -2.334 0.442 -5.414 540 HG21 VAL 67 3HG2 VAL 67 -1.500 -1.370 -2.622 541 HG22 VAL 67 1HG2 VAL 67 -1.589 0.156 -3.502 542 HG23 VAL 67 2HG2 VAL 67 -3.052 -0.555 -2.820 543 H SER 68 H SER 68 -5.553 -2.893 -5.962 544 HA SER 68 HA SER 68 -4.032 -4.640 -7.781 545 HB2 SER 68 1HB SER 68 -6.595 -5.158 -6.359 546 HB3 SER 68 2HB SER 68 -6.460 -5.737 -8.019 547 HG SER 68 HG SER 68 -4.421 -6.716 -7.292 548 H GLN 69 H GLN 69 -6.796 -2.486 -7.356 549 HA GLN 69 HA GLN 69 -7.875 -1.089 -8.789 550 HB2 GLN 69 1HB GLN 69 -5.194 -1.395 -9.981 551 HB3 GLN 69 2HB GLN 69 -6.444 -0.842 -11.087 552 HG2 GLN 69 1HG GLN 69 -6.994 0.941 -9.407 553 HG3 GLN 69 2HG GLN 69 -5.541 0.458 -8.534 554 HE21 GLN 69 1HE2 GLN 69 -6.644 1.458 -11.745 555 HE22 GLN 69 2HE2 GLN 69 -5.219 2.347 -12.150 556 H THR 70 H THR 70 -9.668 -1.653 -9.810 557 HA THR 70 HA THR 70 -9.810 -4.133 -11.280 558 HB THR 70 HB THR 70 -11.924 -2.046 -10.714 559 HG1 THR 70 1HG THR 70 -11.902 -3.048 -8.852 560 HG21 THR 70 3HG2 THR 70 -12.961 -3.041 -12.460 561 HG22 THR 70 1HG2 THR 70 -13.294 -4.306 -11.278 562 HG23 THR 70 2HG2 THR 70 -11.934 -4.474 -12.389 563 H VAL 71 H VAL 71 -10.221 -4.395 -13.453 564 HA VAL 71 HA VAL 71 -10.452 -2.037 -15.153 565 HB VAL 71 HB VAL 71 -8.132 -2.156 -15.263 566 HG11 VAL 71 1HG1 VAL 71 -8.489 -4.781 -14.344 567 HG12 VAL 71 2HG1 VAL 71 -7.589 -4.911 -15.856 568 HG13 VAL 71 3HG1 VAL 71 -6.971 -3.907 -14.544 569 HG21 VAL 71 3HG2 VAL 71 -8.975 -4.014 -17.482 570 HG22 VAL 71 1HG2 VAL 71 -9.242 -2.271 -17.492 571 HG23 VAL 71 2HG2 VAL 71 -7.599 -2.911 -17.474 572 H HIS 72 H HIS 72 -9.737 -5.515 -15.522 573 HA HIS 72 HA HIS 72 -11.628 -5.713 -17.700 574 HB2 HIS 72 1HB HIS 72 -9.700 -7.616 -16.400 575 HB3 HIS 72 2HB HIS 72 -10.929 -8.208 -17.515 576 HD1 HIS 72 1HD HIS 72 -10.865 -6.308 -19.785 577 HD2 HIS 72 2HD HIS 72 -7.403 -7.467 -17.802 578 HE1 HIS 72 1HE HIS 72 -8.990 -5.897 -21.409 579 H GLY 73 H GLY 73 -13.124 -4.917 -15.677 580 HA2 GLY 73 1HA GLY 73 -15.079 -5.431 -14.583 581 HA3 GLY 73 2HA GLY 73 -15.018 -7.004 -15.365 582 H LYS 74 H LYS 74 -12.272 -6.102 -13.516 583 HA LYS 74 HA LYS 74 -13.097 -6.973 -10.965 584 HB2 LYS 74 1HB LYS 74 -12.269 -9.050 -12.872 585 HB3 LYS 74 2HB LYS 74 -11.407 -9.099 -11.340 586 HG2 LYS 74 1HG LYS 74 -14.262 -8.755 -10.975 587 HG3 LYS 74 2HG LYS 74 -13.869 -10.219 -11.878 588 HD2 LYS 74 1HD LYS 74 -12.789 -11.181 -10.115 589 HD3 LYS 74 2HD LYS 74 -12.259 -9.632 -9.455 590 HE2 LYS 74 1HE LYS 74 -14.484 -9.186 -8.620 591 HE3 LYS 74 2HE LYS 74 -15.095 -10.657 -9.376 592 HZ1 LYS 74 3HZ LYS 74 -12.992 -11.472 -7.812 593 HZ2 LYS 74 1HZ LYS 74 -14.638 -11.669 -7.472 594 HZ3 LYS 74 2HZ LYS 74 -13.802 -10.331 -6.863 595 H ALA 75 H ALA 75 -11.235 -7.293 -9.482 596 HA ALA 75 HA ALA 75 -9.341 -5.262 -9.764 597 HB1 ALA 75 1HB ALA 75 -9.093 -5.702 -7.606 598 HB2 ALA 75 2HB ALA 75 -10.057 -7.168 -7.791 599 HB3 ALA 75 3HB ALA 75 -8.306 -7.231 -7.997 600 H GLN 76 H GLN 76 -7.152 -5.252 -10.262 601 HA GLN 76 HA GLN 76 -6.254 -7.542 -11.871 602 HB2 GLN 76 1HB GLN 76 -6.378 -4.879 -12.535 603 HB3 GLN 76 2HB GLN 76 -4.695 -5.065 -12.059 604 HG2 GLN 76 1HG GLN 76 -4.456 -6.906 -13.657 605 HG3 GLN 76 2HG GLN 76 -6.135 -6.684 -14.148 606 HE21 GLN 76 1HE2 GLN 76 -3.603 -4.317 -13.443 607 HE22 GLN 76 2HE2 GLN 76 -3.627 -3.566 -14.998 608 H ASN 77 H ASN 77 -3.536 -6.893 -11.966 609 HA ASN 77 HA ASN 77 -2.701 -7.282 -9.167 610 HB2 ASN 77 1HB ASN 77 -0.859 -8.742 -10.131 611 HB3 ASN 77 2HB ASN 77 -2.484 -9.416 -10.194 612 HD21 ASN 77 1HD2 ASN 77 -3.621 -9.324 -12.214 613 HD22 ASN 77 2HD2 ASN 77 -2.737 -9.322 -13.699 614 H LEU 78 H LEU 78 -2.248 -5.023 -9.061 615 HA LEU 78 HA LEU 78 -0.457 -3.739 -10.852 616 HB2 LEU 78 1HB LEU 78 -1.050 -2.947 -8.010 617 HB3 LEU 78 2HB LEU 78 -0.476 -1.910 -9.315 618 HG LEU 78 HG LEU 78 -3.225 -3.042 -8.890 619 HD11 LEU 78 1HD1 LEU 78 -3.212 -0.350 -9.708 620 HD12 LEU 78 2HD1 LEU 78 -1.948 -0.517 -8.490 621 HD13 LEU 78 3HD1 LEU 78 -3.602 -1.001 -8.116 622 HD21 LEU 78 3HD2 LEU 78 -2.670 -3.481 -11.210 623 HD22 LEU 78 1HD2 LEU 78 -2.121 -1.817 -11.416 624 HD23 LEU 78 2HD2 LEU 78 -3.824 -2.151 -11.100 625 H GLN 79 H GLN 79 1.634 -4.152 -11.047 626 HA GLN 79 HA GLN 79 3.107 -5.171 -8.719 627 HB2 GLN 79 1HB GLN 79 3.976 -5.225 -11.610 628 HB3 GLN 79 2HB GLN 79 4.704 -6.090 -10.263 629 HG2 GLN 79 1HG GLN 79 2.111 -6.967 -10.199 630 HG3 GLN 79 2HG GLN 79 2.419 -6.788 -11.926 631 HE21 GLN 79 1HE2 GLN 79 2.091 -9.156 -10.115 632 HE22 GLN 79 2HE2 GLN 79 3.469 -10.145 -10.440 633 H TYR 80 H TYR 80 5.621 -4.586 -9.104 634 HA TYR 80 HA TYR 80 5.971 -1.981 -8.301 635 HB2 TYR 80 1HB TYR 80 7.682 -3.768 -8.117 636 HB3 TYR 80 2HB TYR 80 7.976 -3.637 -9.847 637 HD1 TYR 80 2HD TYR 80 7.941 -1.519 -6.771 638 HD2 TYR 80 1HD TYR 80 9.682 -2.257 -10.582 639 HE1 TYR 80 2HE TYR 80 9.599 0.248 -6.349 640 HE2 TYR 80 1HE TYR 80 11.346 -0.493 -10.170 641 HH TYR 80 HH TYR 80 11.807 1.328 -8.838 642 H ALA 81 H ALA 81 5.702 -0.099 -9.279 643 HA ALA 81 HA ALA 81 5.331 0.063 -12.127 644 HB1 ALA 81 1HB ALA 81 3.985 1.676 -11.392 645 HB2 ALA 81 2HB ALA 81 4.788 1.734 -9.822 646 HB3 ALA 81 3HB ALA 81 5.435 2.659 -11.178 647 H VAL 82 H VAL 82 7.054 -0.003 -13.421 648 HA VAL 82 HA VAL 82 9.661 0.830 -12.615 649 HB VAL 82 HB VAL 82 8.570 0.119 -15.339 650 HG11 VAL 82 1HG1 VAL 82 11.186 1.162 -14.492 651 HG12 VAL 82 2HG1 VAL 82 11.242 -0.263 -15.532 652 HG13 VAL 82 3HG1 VAL 82 10.407 1.194 -16.074 653 HG21 VAL 82 3HG2 VAL 82 10.234 -1.437 -13.361 654 HG22 VAL 82 1HG2 VAL 82 8.546 -1.734 -13.777 655 HG23 VAL 82 2HG2 VAL 82 9.808 -1.981 -14.983 656 H LEU 83 H LEU 83 10.749 2.688 -13.013 657 HA LEU 83 HA LEU 83 9.581 4.702 -14.770 658 HB2 LEU 83 1HB LEU 83 10.025 6.422 -12.927 659 HB3 LEU 83 2HB LEU 83 8.572 5.431 -12.812 660 HG LEU 83 HG LEU 83 9.910 3.946 -11.226 661 HD11 LEU 83 1HD1 LEU 83 11.626 5.699 -10.069 662 HD12 LEU 83 2HD1 LEU 83 11.846 6.080 -11.776 663 HD13 LEU 83 3HD1 LEU 83 12.099 4.432 -11.202 664 HD21 LEU 83 3HD2 LEU 83 8.393 5.027 -9.978 665 HD22 LEU 83 1HD2 LEU 83 8.697 6.574 -10.769 666 HD23 LEU 83 2HD2 LEU 83 9.758 6.024 -9.472 667 H THR 84 H THR 84 11.058 6.199 -15.567 668 HA THR 84 HA THR 84 13.708 5.333 -15.850 669 HB THR 84 HB THR 84 14.152 7.499 -16.913 670 HG1 THR 84 1HG THR 84 12.764 9.168 -16.731 671 HG21 THR 84 3HG2 THR 84 11.570 6.115 -17.587 672 HG22 THR 84 1HG2 THR 84 13.139 5.960 -18.375 673 HG23 THR 84 2HG2 THR 84 12.199 7.440 -18.567 674 H ASP 85 H ASP 85 12.456 8.143 -14.041 675 HA ASP 85 HA ASP 85 14.497 7.759 -12.016 676 HB2 ASP 85 1HB ASP 85 14.934 10.370 -12.284 677 HB3 ASP 85 2HB ASP 85 15.872 9.177 -13.179 678 H SER 86 H SER 86 13.717 8.228 -10.059 679 HA SER 86 HA SER 86 11.355 9.980 -9.885 680 HB2 SER 86 1HB SER 86 10.368 7.924 -9.473 681 HB3 SER 86 2HB SER 86 11.819 7.260 -8.722 682 HG SER 86 HG SER 86 11.249 8.091 -6.852 683 HA PRO 87 HA PRO 87 13.541 12.253 -6.826 684 HB2 PRO 87 1HB PRO 87 11.468 13.204 -5.354 685 HB3 PRO 87 2HB PRO 87 11.855 13.807 -6.970 686 HG2 PRO 87 1HG PRO 87 9.776 11.821 -6.137 687 HG3 PRO 87 2HG PRO 87 9.647 13.155 -7.299 688 HD2 PRO 87 1HD PRO 87 10.009 10.583 -8.066 689 HD3 PRO 87 2HD PRO 87 10.670 11.955 -8.980 690 H PHE 88 H PHE 88 11.234 9.808 -5.840 691 HA PHE 88 HA PHE 88 12.488 9.667 -3.187 692 HB2 PHE 88 1HB PHE 88 9.949 8.310 -4.110 693 HB3 PHE 88 2HB PHE 88 10.541 8.444 -2.457 694 HD1 PHE 88 2HD PHE 88 11.162 11.121 -1.970 695 HD2 PHE 88 1HD PHE 88 8.087 9.579 -4.477 696 HE1 PHE 88 2HE PHE 88 9.888 13.206 -1.683 697 HE2 PHE 88 1HE PHE 88 6.808 11.663 -4.195 698 HZ PHE 88 HZ PHE 88 7.708 13.479 -2.796 699 H GLN 89 H GLN 89 13.930 8.706 -5.400 700 HA GLN 89 HA GLN 89 13.660 5.994 -5.957 701 HB2 GLN 89 1HB GLN 89 15.319 7.882 -6.844 702 HB3 GLN 89 2HB GLN 89 16.405 7.115 -5.693 703 HG2 GLN 89 1HG GLN 89 16.646 6.235 -7.972 704 HG3 GLN 89 2HG GLN 89 16.176 4.999 -6.806 705 HE21 GLN 89 1HE2 GLN 89 14.642 3.682 -7.454 706 HE22 GLN 89 2HE2 GLN 89 13.423 4.030 -8.626 707 H ASP 90 H ASP 90 14.844 7.587 -3.123 708 HA ASP 90 HA ASP 90 16.261 5.334 -2.062 709 HB2 ASP 90 1HB ASP 90 15.881 8.083 -1.364 710 HB3 ASP 90 2HB ASP 90 15.486 7.086 0.034 711 H LYS 91 H LYS 91 12.978 6.348 -2.143 712 HA LYS 91 HA LYS 91 12.230 4.562 0.051 713 HB2 LYS 91 1HB LYS 91 10.689 6.613 -1.536 714 HB3 LYS 91 2HB LYS 91 9.917 5.515 -0.400 715 HG2 LYS 91 1HG LYS 91 11.020 6.470 1.440 716 HG3 LYS 91 2HG LYS 91 12.176 7.317 0.409 717 HD2 LYS 91 1HD LYS 91 10.467 8.798 -0.393 718 HD3 LYS 91 2HD LYS 91 9.211 7.870 0.430 719 HE2 LYS 91 1HE LYS 91 9.789 8.675 2.506 720 HE3 LYS 91 2HE LYS 91 11.455 9.004 2.032 721 HZ1 LYS 91 3HZ LYS 91 10.556 10.829 0.617 722 HZ2 LYS 91 1HZ LYS 91 10.353 11.072 2.279 723 HZ3 LYS 91 2HZ LYS 91 9.042 10.580 1.331 724 H LEU 92 H LEU 92 12.284 4.731 -3.386 725 HA LEU 92 HA LEU 92 10.236 2.819 -3.902 726 HB2 LEU 92 1HB LEU 92 12.557 3.756 -5.579 727 HB3 LEU 92 2HB LEU 92 11.273 2.699 -6.161 728 HG LEU 92 HG LEU 92 11.011 5.576 -5.297 729 HD11 LEU 92 1HD1 LEU 92 10.526 4.261 -7.965 730 HD12 LEU 92 2HD1 LEU 92 11.976 5.168 -7.536 731 HD13 LEU 92 3HD1 LEU 92 10.413 5.982 -7.593 732 HD21 LEU 92 3HD2 LEU 92 8.894 5.120 -4.794 733 HD22 LEU 92 1HD2 LEU 92 9.056 3.455 -5.350 734 HD23 LEU 92 2HD2 LEU 92 8.641 4.730 -6.496 735 H ASP 93 H ASP 93 13.742 2.643 -3.519 736 HA ASP 93 HA ASP 93 13.996 -0.093 -4.206 737 HB2 ASP 93 1HB ASP 93 15.748 1.782 -2.619 738 HB3 ASP 93 2HB ASP 93 16.196 0.109 -2.940 739 H ARG 94 H ARG 94 12.648 1.424 -1.515 740 HA ARG 94 HA ARG 94 13.322 -0.131 0.651 741 HB2 ARG 94 1HB ARG 94 10.652 1.060 -0.101 742 HB3 ARG 94 2HB ARG 94 10.973 0.323 1.463 743 HG2 ARG 94 1HG ARG 94 12.683 2.549 0.418 744 HG3 ARG 94 2HG ARG 94 11.160 2.868 1.252 745 HD2 ARG 94 1HD ARG 94 12.007 2.324 3.260 746 HD3 ARG 94 2HD ARG 94 12.909 0.953 2.615 747 HE ARG 94 HE ARG 94 14.752 2.304 2.396 748 HH11 ARG 94 1HH1 ARG 94 11.937 4.264 2.990 749 HH12 ARG 94 2HH1 ARG 94 12.842 5.723 3.226 750 HH21 ARG 94 1HH2 ARG 94 15.954 4.218 2.703 751 HH22 ARG 94 2HH2 ARG 94 15.127 5.696 3.061 752 H LEU 95 H LEU 95 10.684 -0.759 -1.663 753 HA LEU 95 HA LEU 95 9.731 -3.125 -0.626 754 HB2 LEU 95 1HB LEU 95 10.050 -2.602 -3.571 755 HB3 LEU 95 2HB LEU 95 8.833 -3.601 -2.779 756 HG LEU 95 HG LEU 95 9.025 -0.592 -2.667 757 HD11 LEU 95 1HD1 LEU 95 8.232 -1.359 -4.809 758 HD12 LEU 95 2HD1 LEU 95 6.881 -0.701 -3.887 759 HD13 LEU 95 3HD1 LEU 95 7.081 -2.447 -4.032 760 HD21 LEU 95 3HD2 LEU 95 7.059 -2.495 -1.399 761 HD22 LEU 95 1HD2 LEU 95 6.858 -0.745 -1.487 762 HD23 LEU 95 2HD2 LEU 95 8.195 -1.433 -0.565 763 H ALA 96 H ALA 96 12.588 -2.578 -2.592 764 HA ALA 96 HA ALA 96 13.174 -5.453 -2.579 765 HB1 ALA 96 1HB ALA 96 14.800 -5.002 -4.295 766 HB2 ALA 96 2HB ALA 96 13.268 -4.251 -4.740 767 HB3 ALA 96 3HB ALA 96 14.580 -3.263 -4.099 768 H ASP 97 H ASP 97 13.395 -3.953 -0.156 769 HA ASP 97 HA ASP 97 16.221 -4.435 0.401 770 HB2 ASP 97 1HB ASP 97 15.252 -1.845 0.072 771 HB3 ASP 97 2HB ASP 97 15.288 -2.073 1.818 772 H GLU 98 H GLU 98 16.378 -3.714 2.993 773 HA GLU 98 HA GLU 98 14.554 -5.613 4.252 774 HB2 GLU 98 1HB GLU 98 17.087 -4.288 5.229 775 HB3 GLU 98 2HB GLU 98 16.107 -5.366 6.213 776 HG2 GLU 98 1HG GLU 98 16.649 -7.228 4.947 777 HG3 GLU 98 2HG GLU 98 17.136 -6.262 3.555 778 H ILE 99 H ILE 99 13.967 -5.013 6.610 779 HA ILE 99 HA ILE 99 12.697 -2.373 6.512 780 HB ILE 99 HB ILE 99 11.291 -3.214 8.380 781 HG12 ILE 99 1HG1 ILE 99 13.187 -5.458 8.168 782 HG13 ILE 99 2HG1 ILE 99 12.245 -4.905 9.548 783 HG21 ILE 99 1HG2 ILE 99 11.241 -5.069 6.010 784 HG22 ILE 99 2HG2 ILE 99 9.885 -4.581 7.025 785 HG23 ILE 99 3HG2 ILE 99 10.661 -3.404 5.965 786 HD11 ILE 99 3HD1 ILE 99 11.538 -7.106 8.999 787 HD12 ILE 99 1HD1 ILE 99 10.253 -5.995 8.525 788 HD13 ILE 99 2HD1 ILE 99 11.326 -6.676 7.302 789 H ASN 100 H ASN 100 12.347 -1.436 8.832 790 HA ASN 100 HA ASN 100 14.927 -1.536 10.253 791 HB2 ASN 100 1HB ASN 100 13.374 0.743 9.215 792 HB3 ASN 100 2HB ASN 100 13.951 0.939 10.867 793 HD21 ASN 100 1HD2 ASN 100 15.455 -0.790 8.187 794 HD22 ASN 100 2HD2 ASN 100 16.880 0.185 8.124 795 HA PRO 101 HA PRO 101 11.679 -2.803 13.256 796 HB2 PRO 101 1HB PRO 101 13.273 -4.579 14.550 797 HB3 PRO 101 2HB PRO 101 12.368 -4.988 13.088 798 HG2 PRO 101 1HG PRO 101 15.251 -4.240 13.382 799 HG3 PRO 101 2HG PRO 101 14.522 -5.517 12.391 800 HD2 PRO 101 1HD PRO 101 15.297 -3.136 11.360 801 HD3 PRO 101 2HD PRO 101 13.914 -4.048 10.722 802 H GLY 102 H GLY 102 11.516 -1.060 14.581 803 HA2 GLY 102 1HA GLY 102 11.960 -0.335 16.843 804 HA3 GLY 102 2HA GLY 102 13.652 -0.734 16.587 805 H GLU 103 H GLU 103 12.404 0.744 13.859 806 HA GLU 103 HA GLU 103 13.453 3.356 14.731 807 HB2 GLU 103 1HB GLU 103 14.767 2.079 12.971 808 HB3 GLU 103 2HB GLU 103 13.403 2.338 11.892 809 HG2 GLU 103 1HG GLU 103 15.194 3.968 11.545 810 HG3 GLU 103 2HG GLU 103 13.684 4.729 12.044 811 H THR 104 H THR 104 12.561 5.227 13.492 812 HA THR 104 HA THR 104 9.706 4.805 12.886 813 HB THR 104 HB THR 104 9.748 6.007 14.926 814 HG1 THR 104 1HG THR 104 8.285 7.179 13.924 815 HG21 THR 104 3HG2 THR 104 11.118 8.383 14.523 816 HG22 THR 104 1HG2 THR 104 12.174 7.160 13.817 817 HG23 THR 104 2HG2 THR 104 11.660 7.017 15.498 818 H ILE 105 H ILE 105 10.305 4.554 10.652 819 HA ILE 105 HA ILE 105 10.836 7.139 9.345 820 HB ILE 105 HB ILE 105 12.079 6.023 7.587 821 HG12 ILE 105 1HG1 ILE 105 12.618 3.483 8.743 822 HG13 ILE 105 2HG1 ILE 105 10.869 3.680 8.698 823 HG21 ILE 105 1HG2 ILE 105 13.998 5.107 9.065 824 HG22 ILE 105 2HG2 ILE 105 13.530 6.800 9.217 825 HG23 ILE 105 3HG2 ILE 105 12.982 5.623 10.411 826 HD11 ILE 105 3HD1 ILE 105 12.441 2.792 6.644 827 HD12 ILE 105 1HD1 ILE 105 10.796 3.411 6.492 828 HD13 ILE 105 2HD1 ILE 105 12.171 4.484 6.226 829 H GLN 106 H GLN 106 10.405 6.605 6.779 830 HA GLN 106 HA GLN 106 7.761 5.325 6.630 831 HB2 GLN 106 1HB GLN 106 6.854 7.113 5.368 832 HB3 GLN 106 2HB GLN 106 7.650 7.853 6.750 833 HG2 GLN 106 1HG GLN 106 9.657 8.160 5.202 834 HG3 GLN 106 2HG GLN 106 8.537 7.795 3.890 835 HE21 GLN 106 1HE2 GLN 106 8.471 9.758 6.851 836 HE22 GLN 106 2HE2 GLN 106 7.869 11.188 6.091 837 H GLY 107 H GLY 107 7.188 5.578 4.013 838 HA2 GLY 107 1HA GLY 107 9.393 5.030 2.286 839 HA3 GLY 107 2HA GLY 107 8.583 3.549 2.772 840 H ALA 108 H ALA 108 8.337 3.546 0.328 841 HA ALA 108 HA ALA 108 5.691 4.632 -0.292 842 HB1 ALA 108 1HB ALA 108 7.920 5.882 -1.251 843 HB2 ALA 108 2HB ALA 108 7.525 4.774 -2.566 844 HB3 ALA 108 3HB ALA 108 6.324 5.934 -2.000 845 H TYR 109 H TYR 109 4.952 3.710 -2.502 846 HA TYR 109 HA TYR 109 6.042 1.114 -3.160 847 HB2 TYR 109 1HB TYR 109 4.343 0.977 -1.139 848 HB3 TYR 109 2HB TYR 109 3.145 1.091 -2.423 849 HD1 TYR 109 1HD TYR 109 4.280 -0.486 -4.573 850 HD2 TYR 109 2HD TYR 109 4.347 -1.210 -0.381 851 HE1 TYR 109 1HE TYR 109 4.504 -2.898 -4.999 852 HE2 TYR 109 2HE TYR 109 4.572 -3.624 -0.795 853 HH TYR 109 HH TYR 109 4.052 -5.022 -3.836 854 HA PRO 110 HA PRO 110 4.309 3.282 -6.796 855 HB2 PRO 110 1HB PRO 110 6.181 2.323 -8.512 856 HB3 PRO 110 2HB PRO 110 6.447 3.745 -7.498 857 HG2 PRO 110 1HG PRO 110 7.339 0.920 -7.070 858 HG3 PRO 110 2HG PRO 110 8.242 2.427 -6.827 859 HD2 PRO 110 1HD PRO 110 7.105 1.064 -4.783 860 HD3 PRO 110 2HD PRO 110 7.260 2.832 -4.781 861 H TYR 111 H TYR 111 2.475 2.230 -7.331 862 HA TYR 111 HA TYR 111 2.629 -0.587 -8.126 863 HB2 TYR 111 1HB TYR 111 0.245 1.157 -7.476 864 HB3 TYR 111 2HB TYR 111 0.148 -0.533 -7.958 865 HD1 TYR 111 1HD TYR 111 1.176 -2.283 -6.464 866 HD2 TYR 111 2HD TYR 111 0.684 1.761 -5.236 867 HE1 TYR 111 1HE TYR 111 1.429 -2.971 -4.116 868 HE2 TYR 111 2HE TYR 111 0.937 1.084 -2.885 869 HH TYR 111 HH TYR 111 1.884 -2.156 -1.997 870 H GLU 112 H GLU 112 1.272 -1.258 -9.990 871 HA GLU 112 HA GLU 112 1.994 0.178 -12.309 872 HB2 GLU 112 1HB GLU 112 0.674 -2.322 -11.674 873 HB3 GLU 112 2HB GLU 112 -0.106 -1.522 -13.031 874 HG2 GLU 112 1HG GLU 112 2.039 -1.386 -14.189 875 HG3 GLU 112 2HG GLU 112 2.823 -2.188 -12.828 876 H PHE 113 H PHE 113 1.186 2.143 -12.701 877 HA PHE 113 HA PHE 113 -1.575 2.773 -12.067 878 HB2 PHE 113 1HB PHE 113 0.751 4.260 -12.108 879 HB3 PHE 113 2HB PHE 113 -0.076 4.785 -13.572 880 HD1 PHE 113 1HD PHE 113 -1.239 3.871 -10.145 881 HD2 PHE 113 2HD PHE 113 -1.121 6.795 -13.235 882 HE1 PHE 113 1HE PHE 113 -2.674 5.347 -8.798 883 HE2 PHE 113 2HE PHE 113 -2.555 8.277 -11.893 884 HZ PHE 113 HZ PHE 113 -3.333 7.554 -9.671 885 H ILE 114 H ILE 114 -0.324 1.076 -14.453 886 HA ILE 114 HA ILE 114 -0.907 2.119 -16.893 887 HB ILE 114 HB ILE 114 -1.591 -0.676 -15.974 888 HG12 ILE 114 1HG1 ILE 114 0.841 0.086 -17.552 889 HG13 ILE 114 2HG1 ILE 114 0.834 0.308 -15.806 890 HG21 ILE 114 1HG2 ILE 114 -1.296 -1.220 -18.410 891 HG22 ILE 114 2HG2 ILE 114 -2.736 -0.282 -18.017 892 HG23 ILE 114 3HG2 ILE 114 -1.331 0.514 -18.726 893 HD11 ILE 114 3HD1 ILE 114 0.634 -2.234 -17.373 894 HD12 ILE 114 1HD1 ILE 114 1.806 -1.781 -16.136 895 HD13 ILE 114 2HD1 ILE 114 0.140 -2.144 -15.682 896 H ASN 115 H ASN 115 -3.203 0.998 -14.483 897 HA ASN 115 HA ASN 115 -5.453 1.467 -16.274 898 HB2 ASN 115 1HB ASN 115 -5.237 0.365 -13.473 899 HB3 ASN 115 2HB ASN 115 -6.787 0.716 -14.232 900 HD21 ASN 115 1HD2 ASN 115 -6.476 -0.108 -16.761 901 HD22 ASN 115 2HD2 ASN 115 -6.156 -1.805 -16.820 902 H GLU 116 H GLU 116 -4.065 3.782 -15.841 903 HA GLU 116 HA GLU 116 -4.856 5.347 -13.667 904 HB2 GLU 116 1HB GLU 116 -4.357 7.293 -15.173 905 HB3 GLU 116 2HB GLU 116 -3.066 6.105 -15.056 906 HG2 GLU 116 1HG GLU 116 -3.105 5.722 -17.237 907 HG3 GLU 116 2HG GLU 116 -4.853 5.494 -17.236 908 H ASN 117 H ASN 117 -6.622 4.290 -16.413 909 HA ASN 117 HA ASN 117 -8.610 6.372 -16.315 910 HB2 ASN 117 1HB ASN 117 -9.843 4.781 -17.893 911 HB3 ASN 117 2HB ASN 117 -8.300 5.415 -18.455 912 HD21 ASN 117 1HD2 ASN 117 -6.434 4.037 -18.279 913 HD22 ASN 117 2HD2 ASN 117 -6.628 2.322 -18.356 914 H LYS 118 H LYS 118 -8.021 3.445 -14.663 915 HA LYS 118 HA LYS 118 -10.809 3.295 -13.743 916 HB2 LYS 118 1HB LYS 118 -8.615 1.251 -13.364 917 HB3 LYS 118 2HB LYS 118 -10.326 1.041 -13.013 918 HG2 LYS 118 1HG LYS 118 -9.154 1.482 -15.752 919 HG3 LYS 118 2HG LYS 118 -9.653 -0.075 -15.087 920 HD2 LYS 118 1HD LYS 118 -11.941 1.072 -14.730 921 HD3 LYS 118 2HD LYS 118 -11.343 2.273 -15.877 922 HE2 LYS 118 1HE LYS 118 -10.811 0.283 -17.396 923 HE3 LYS 118 2HE LYS 118 -11.835 -0.658 -16.312 924 HZ1 LYS 118 3HZ LYS 118 -13.402 0.008 -17.776 925 HZ2 LYS 118 1HZ LYS 118 -12.566 1.406 -18.234 926 HZ3 LYS 118 2HZ LYS 118 -13.441 1.380 -16.787 927 HA PRO 119 HA PRO 119 -9.761 4.849 -9.770 928 HB2 PRO 119 1HB PRO 119 -11.573 3.538 -8.230 929 HB3 PRO 119 2HB PRO 119 -12.015 4.857 -9.322 930 HG2 PRO 119 1HG PRO 119 -12.240 1.900 -9.734 931 HG3 PRO 119 2HG PRO 119 -13.404 3.177 -10.131 932 HD2 PRO 119 1HD PRO 119 -11.782 2.056 -11.987 933 HD3 PRO 119 2HD PRO 119 -12.303 3.751 -12.073 934 H VAL 120 H VAL 120 -8.911 4.261 -7.685 935 HA VAL 120 HA VAL 120 -7.702 1.574 -7.669 936 HB VAL 120 HB VAL 120 -6.669 4.033 -6.254 937 HG11 VAL 120 1HG1 VAL 120 -4.546 2.470 -6.425 938 HG12 VAL 120 2HG1 VAL 120 -5.707 2.306 -5.107 939 HG13 VAL 120 3HG1 VAL 120 -5.775 1.207 -6.485 940 HG21 VAL 120 3HG2 VAL 120 -4.857 3.404 -8.226 941 HG22 VAL 120 1HG2 VAL 120 -6.413 3.174 -9.025 942 HG23 VAL 120 2HG2 VAL 120 -6.025 4.725 -8.281 943 H HIS 121 H HIS 121 -9.046 0.366 -6.440 944 HA HIS 121 HA HIS 121 -10.370 1.367 -4.115 945 HB2 HIS 121 1HB HIS 121 -11.045 -0.600 -5.683 946 HB3 HIS 121 2HB HIS 121 -9.972 -1.558 -4.667 947 HD1 HIS 121 1HD HIS 121 -13.187 -1.738 -4.911 948 HD2 HIS 121 2HD HIS 121 -10.980 -0.091 -1.800 949 HE1 HIS 121 1HE HIS 121 -14.696 -1.817 -2.901 950 H PHE 122 H PHE 122 -8.792 2.155 -2.721 951 HA PHE 122 HA PHE 122 -6.520 0.665 -1.911 952 HB2 PHE 122 1HB PHE 122 -7.921 3.082 -0.790 953 HB3 PHE 122 2HB PHE 122 -6.542 2.358 0.030 954 HD1 PHE 122 1HD PHE 122 -4.444 1.952 -1.520 955 HD2 PHE 122 2HD PHE 122 -7.535 4.776 -2.288 956 HE1 PHE 122 1HE PHE 122 -2.914 3.230 -2.962 957 HE2 PHE 122 2HE PHE 122 -6.010 6.057 -3.732 958 HZ PHE 122 HZ PHE 122 -3.697 5.284 -4.072 959 H LYS 123 H LYS 123 -7.192 -1.385 -1.278 960 HA LYS 123 HA LYS 123 -9.017 -1.589 0.998 961 HB2 LYS 123 1HB LYS 123 -7.973 -3.510 -1.042 962 HB3 LYS 123 2HB LYS 123 -8.536 -4.133 0.503 963 HG2 LYS 123 1HG LYS 123 -10.529 -2.375 -0.336 964 HG3 LYS 123 2HG LYS 123 -10.046 -3.260 -1.786 965 HD2 LYS 123 1HD LYS 123 -10.179 -5.315 -0.105 966 HD3 LYS 123 2HD LYS 123 -11.317 -4.242 0.714 967 HE2 LYS 123 1HE LYS 123 -11.929 -4.141 -2.037 968 HE3 LYS 123 2HE LYS 123 -11.703 -5.841 -1.629 969 HZ1 LYS 123 3HZ LYS 123 -13.564 -3.932 -0.326 970 HZ2 LYS 123 1HZ LYS 123 -13.271 -5.502 0.233 971 HZ3 LYS 123 2HZ LYS 123 -13.978 -5.263 -1.285 972 H PHE 124 H PHE 124 -8.300 -3.584 2.478 973 HA PHE 124 HA PHE 124 -5.456 -3.504 3.079 974 HB2 PHE 124 1HB PHE 124 -7.495 -2.761 5.185 975 HB3 PHE 124 2HB PHE 124 -5.747 -2.826 5.384 976 HD1 PHE 124 2HD PHE 124 -4.317 -1.140 4.278 977 HD2 PHE 124 1HD PHE 124 -8.565 -0.870 4.242 978 HE1 PHE 124 2HE PHE 124 -4.158 1.232 3.644 979 HE2 PHE 124 1HE PHE 124 -8.412 1.502 3.607 980 HZ PHE 124 HZ PHE 124 -6.206 2.557 3.309 981 H ARG 125 H ARG 125 -5.241 -4.833 5.337 982 HA ARG 125 HA ARG 125 -5.343 -6.886 6.311 983 HB2 ARG 125 1HB ARG 125 -8.114 -6.267 5.599 984 HB3 ARG 125 2HB ARG 125 -7.793 -7.993 5.703 985 HG2 ARG 125 1HG ARG 125 -7.029 -6.075 7.883 986 HG3 ARG 125 2HG ARG 125 -8.607 -6.861 7.809 987 HD2 ARG 125 1HD ARG 125 -7.253 -9.049 7.611 988 HD3 ARG 125 2HD ARG 125 -5.904 -8.088 8.213 989 HE ARG 125 HE ARG 125 -8.087 -9.095 9.729 990 HH11 ARG 125 1HH1 ARG 125 -5.901 -6.399 9.459 991 HH12 ARG 125 2HH1 ARG 125 -6.001 -5.982 11.138 992 HH21 ARG 125 1HH2 ARG 125 -8.227 -8.556 11.941 993 HH22 ARG 125 2HH2 ARG 125 -7.324 -7.210 12.549 994 H ASP 126 H ASP 126 -5.777 -9.286 5.794 995 HA ASP 126 HA ASP 126 -5.896 -10.034 3.035 996 HB2 ASP 126 1HB ASP 126 -3.370 -9.269 3.991 997 HB3 ASP 126 2HB ASP 126 -3.347 -11.031 3.963 998 H ARG 127 H ARG 127 -4.772 -12.485 3.040 999 HA ARG 127 HA ARG 127 -6.522 -13.933 4.832 1000 HB2 ARG 127 1HB ARG 127 -4.642 -14.886 2.665 1001 HB3 ARG 127 2HB ARG 127 -5.726 -15.929 3.575 1002 HG2 ARG 127 1HG ARG 127 -6.653 -13.611 1.897 1003 HG3 ARG 127 2HG ARG 127 -6.550 -15.274 1.317 1004 HD2 ARG 127 1HD ARG 127 -8.748 -15.177 1.975 1005 HD3 ARG 127 2HD ARG 127 -7.985 -15.786 3.443 1006 HE ARG 127 HE ARG 127 -8.552 -13.839 4.501 1007 HH11 ARG 127 1HH1 ARG 127 -8.840 -13.391 1.061 1008 HH12 ARG 127 2HH1 ARG 127 -9.579 -11.830 1.194 1009 HH21 ARG 127 1HH2 ARG 127 -9.524 -11.784 4.690 1010 HH22 ARG 127 2HH2 ARG 127 -9.967 -10.916 3.259 1011 H LEU 128 H LEU 128 -5.462 -13.394 6.827 1012 HA LEU 128 HA LEU 128 -3.281 -15.241 7.424 1013 HB2 LEU 128 1HB LEU 128 -2.599 -12.721 6.906 1014 HB3 LEU 128 2HB LEU 128 -3.055 -12.525 8.597 1015 HG LEU 128 HG LEU 128 -1.230 -14.764 8.097 1016 HD11 LEU 128 1HD1 LEU 128 0.054 -12.087 7.972 1017 HD12 LEU 128 2HD1 LEU 128 -0.615 -12.768 6.490 1018 HD13 LEU 128 3HD1 LEU 128 0.627 -13.647 7.382 1019 HD21 LEU 128 3HD2 LEU 128 -0.069 -13.214 9.955 1020 HD22 LEU 128 1HD2 LEU 128 -1.358 -14.363 10.317 1021 HD23 LEU 128 2HD2 LEU 128 -1.736 -12.654 10.100 1022 H LEU 129 H LEU 129 -4.336 -16.497 8.844 1023 HA LEU 129 HA LEU 129 -5.400 -17.172 10.736 1024 HB2 LEU 129 1HB LEU 129 -3.673 -15.134 11.482 1025 HB3 LEU 129 2HB LEU 129 -5.205 -14.697 12.236 1026 HG LEU 129 HG LEU 129 -3.852 -15.942 13.795 1027 HD11 LEU 129 1HD1 LEU 129 -6.044 -17.742 12.784 1028 HD12 LEU 129 2HD1 LEU 129 -6.322 -16.285 13.737 1029 HD13 LEU 129 3HD1 LEU 129 -5.415 -17.631 14.428 1030 HD21 LEU 129 3HD2 LEU 129 -3.015 -17.354 11.541 1031 HD22 LEU 129 1HD2 LEU 129 -3.906 -18.525 12.514 1032 HD23 LEU 129 2HD2 LEU 129 -2.548 -17.647 13.217 1033 H SER 130 H SER 130 -6.875 -15.747 8.636 1034 HA SER 130 HA SER 130 -9.361 -15.484 10.010 1035 HB2 SER 130 1HB SER 130 -9.522 -13.032 8.859 1036 HB3 SER 130 2HB SER 130 -9.086 -13.293 10.547 1037 HG SER 130 HG SER 130 -7.651 -12.075 8.778 1038 H LEU 131 H LEU 131 -11.159 -15.034 8.516 1039 HA LEU 131 HA LEU 131 -10.531 -15.333 5.681 1040 HB2 LEU 131 1HB LEU 131 -12.444 -17.110 5.670 1041 HB3 LEU 131 2HB LEU 131 -10.784 -17.577 6.037 1042 HG LEU 131 HG LEU 131 -12.547 -16.894 8.325 1043 HD11 LEU 131 1HD1 LEU 131 -12.798 -19.684 7.684 1044 HD12 LEU 131 2HD1 LEU 131 -13.445 -18.690 6.379 1045 HD13 LEU 131 3HD1 LEU 131 -14.054 -18.492 8.022 1046 HD21 LEU 131 3HD2 LEU 131 -10.890 -19.330 8.234 1047 HD22 LEU 131 1HD2 LEU 131 -11.065 -18.118 9.504 1048 HD23 LEU 131 2HD2 LEU 131 -10.019 -17.800 8.119 1049 H ASP 132 H ASP 132 -11.725 -13.291 7.508 1050 HA ASP 132 HA ASP 132 -14.381 -13.062 6.256 1051 HB2 ASP 132 1HB ASP 132 -13.613 -12.823 8.952 1052 HB3 ASP 132 2HB ASP 132 -13.960 -11.185 8.406 1053 H GLU 133 H GLU 133 -15.018 -10.556 6.271 1054 HA GLU 133 HA GLU 133 -13.629 -9.352 4.210 1055 HB2 GLU 133 1HB GLU 133 -15.570 -8.380 6.252 1056 HB3 GLU 133 2HB GLU 133 -14.715 -7.179 5.294 1057 HG2 GLU 133 1HG GLU 133 -15.711 -7.833 3.328 1058 HG3 GLU 133 2HG GLU 133 -16.064 -9.454 3.923 1059 HA PRO 134 HA PRO 134 -10.056 -7.415 5.859 1060 HB2 PRO 134 1HB PRO 134 -10.013 -5.041 4.542 1061 HB3 PRO 134 2HB PRO 134 -9.651 -6.583 3.756 1062 HG2 PRO 134 1HG PRO 134 -12.195 -5.004 3.748 1063 HG3 PRO 134 2HG PRO 134 -11.391 -5.838 2.405 1064 HD2 PRO 134 1HD PRO 134 -13.511 -6.895 3.717 1065 HD3 PRO 134 2HD PRO 134 -12.222 -7.898 3.023 1066 H ILE 135 H ILE 135 -9.262 -5.203 6.754 1067 HA ILE 135 HA ILE 135 -10.973 -4.528 8.946 1068 HB ILE 135 HB ILE 135 -8.488 -4.623 9.122 1069 HG12 ILE 135 1HG1 ILE 135 -8.721 -1.929 10.004 1070 HG13 ILE 135 2HG1 ILE 135 -10.294 -2.692 10.213 1071 HG21 ILE 135 1HG2 ILE 135 -7.170 -2.725 8.327 1072 HG22 ILE 135 2HG2 ILE 135 -7.946 -3.572 6.989 1073 HG23 ILE 135 3HG2 ILE 135 -8.608 -2.042 7.566 1074 HD11 ILE 135 3HD1 ILE 135 -8.290 -4.486 11.132 1075 HD12 ILE 135 1HD1 ILE 135 -8.010 -2.900 11.851 1076 HD13 ILE 135 2HD1 ILE 135 -9.574 -3.692 12.044 1077 H ALA 136 H ALA 136 -10.186 -3.097 5.865 1078 HA ALA 136 HA ALA 136 -12.398 -1.304 6.022 1079 HB1 ALA 136 1HB ALA 136 -9.754 -0.324 6.784 1080 HB2 ALA 136 2HB ALA 136 -10.530 0.630 5.519 1081 HB3 ALA 136 3HB ALA 136 -11.349 0.377 7.060 1082 H SER 137 H SER 137 -12.281 0.289 4.063 1083 HA SER 137 HA SER 137 -10.691 -0.268 1.833 1084 HB2 SER 137 1HB SER 137 -12.733 -1.384 0.535 1085 HB3 SER 137 2HB SER 137 -11.548 -2.358 1.406 1086 HG SER 137 HG SER 137 -13.959 -2.656 1.786 1087 H GLU 138 H GLU 138 -11.334 0.907 -0.048 1088 HA GLU 138 HA GLU 138 -13.755 2.327 -0.266 1089 HB2 GLU 138 1HB GLU 138 -12.586 3.476 1.721 1090 HB3 GLU 138 2HB GLU 138 -11.477 4.127 0.523 1091 HG2 GLU 138 1HG GLU 138 -12.907 5.817 0.348 1092 HG3 GLU 138 2HG GLU 138 -13.926 4.702 -0.561 1093 H GLU 139 H GLU 139 -13.963 3.241 -2.262 1094 HA GLU 139 HA GLU 139 -11.788 2.759 -4.122 1095 HB2 GLU 139 1HB GLU 139 -14.669 2.949 -4.271 1096 HB3 GLU 139 2HB GLU 139 -13.917 3.967 -5.491 1097 HG2 GLU 139 1HG GLU 139 -13.526 2.203 -6.756 1098 HG3 GLU 139 2HG GLU 139 -12.577 1.462 -5.468 1099 H ILE 140 H ILE 140 -10.497 4.264 -4.979 1100 HA ILE 140 HA ILE 140 -11.287 7.065 -4.972 1101 HB ILE 140 HB ILE 140 -8.722 6.171 -3.652 1102 HG12 ILE 140 1HG1 ILE 140 -11.226 7.379 -2.455 1103 HG13 ILE 140 2HG1 ILE 140 -10.680 5.719 -2.242 1104 HG21 ILE 140 1HG2 ILE 140 -8.497 8.280 -4.847 1105 HG22 ILE 140 2HG2 ILE 140 -9.911 8.918 -4.011 1106 HG23 ILE 140 3HG2 ILE 140 -8.447 8.542 -3.104 1107 HD11 ILE 140 3HD1 ILE 140 -9.926 6.642 -0.308 1108 HD12 ILE 140 1HD1 ILE 140 -8.517 6.911 -1.334 1109 HD13 ILE 140 2HD1 ILE 140 -9.655 8.226 -1.036 1110 H THR 141 H THR 141 -10.613 8.073 -6.758 1111 HA THR 141 HA THR 141 -8.685 6.673 -8.476 1112 HB THR 141 HB THR 141 -10.741 7.006 -9.627 1113 HG1 THR 141 1HG THR 141 -8.998 7.485 -10.953 1114 HG21 THR 141 3HG2 THR 141 -10.812 9.466 -8.117 1115 HG22 THR 141 1HG2 THR 141 -12.123 8.616 -8.935 1116 HG23 THR 141 2HG2 THR 141 -11.125 9.766 -9.826 1117 H ILE 142 H ILE 142 -6.673 7.403 -8.249 1118 HA ILE 142 HA ILE 142 -6.201 10.209 -7.597 1119 HB ILE 142 HB ILE 142 -4.210 7.950 -7.825 1120 HG12 ILE 142 1HG1 ILE 142 -5.437 9.183 -5.349 1121 HG13 ILE 142 2HG1 ILE 142 -5.896 7.623 -6.025 1122 HG21 ILE 142 1HG2 ILE 142 -3.862 10.753 -7.675 1123 HG22 ILE 142 2HG2 ILE 142 -3.371 10.072 -6.125 1124 HG23 ILE 142 3HG2 ILE 142 -2.630 9.493 -7.617 1125 HD11 ILE 142 3HD1 ILE 142 -4.426 7.224 -4.210 1126 HD12 ILE 142 1HD1 ILE 142 -3.533 6.885 -5.692 1127 HD13 ILE 142 2HD1 ILE 142 -3.255 8.393 -4.820 1128 H THR 143 H THR 143 -5.435 11.670 -8.997 1129 HA THR 143 HA THR 143 -3.994 10.894 -11.374 1130 HB THR 143 HB THR 143 -5.698 12.364 -12.754 1131 HG1 THR 143 1HG THR 143 -7.873 11.780 -11.983 1132 HG21 THR 143 3HG2 THR 143 -6.636 9.587 -12.163 1133 HG22 THR 143 1HG2 THR 143 -5.049 9.836 -12.889 1134 HG23 THR 143 2HG2 THR 143 -6.497 10.416 -13.713 Start of MODEL 6 1 H1 MET 1 H MET 1 -21.944 -14.410 4.760 2 HA MET 1 HA MET 1 -19.565 -13.551 4.964 3 HB2 MET 1 1HB MET 1 -19.426 -11.069 4.549 4 HB3 MET 1 2HB MET 1 -19.587 -12.061 3.106 5 HG2 MET 1 1HG MET 1 -22.192 -11.377 3.961 6 HG3 MET 1 2HG MET 1 -21.217 -9.910 3.986 7 HE1 MET 1 3HE MET 1 -22.112 -12.521 0.304 8 HE2 MET 1 1HE MET 1 -21.496 -13.151 1.832 9 HE3 MET 1 2HE MET 1 -23.122 -12.473 1.750 10 H ASP 2 H ASP 2 -20.505 -14.276 7.008 11 HA ASP 2 HA ASP 2 -21.394 -11.992 8.644 12 HB2 ASP 2 1HB ASP 2 -22.974 -14.131 8.083 13 HB3 ASP 2 2HB ASP 2 -22.187 -14.686 9.558 14 H GLU 3 H GLU 3 -19.782 -11.446 9.951 15 HA GLU 3 HA GLU 3 -18.745 -13.158 11.910 16 HB2 GLU 3 1HB GLU 3 -17.391 -13.288 9.362 17 HB3 GLU 3 2HB GLU 3 -16.308 -12.673 10.604 18 HG2 GLU 3 1HG GLU 3 -16.274 -14.630 11.747 19 HG3 GLU 3 2HG GLU 3 -17.916 -15.064 11.275 20 H VAL 4 H VAL 4 -18.307 -11.833 13.534 21 HA VAL 4 HA VAL 4 -17.847 -9.936 14.713 22 HB VAL 4 HB VAL 4 -15.761 -8.932 14.343 23 HG11 VAL 4 1HG1 VAL 4 -14.295 -10.739 14.131 24 HG12 VAL 4 2HG1 VAL 4 -15.807 -11.475 14.667 25 HG13 VAL 4 3HG1 VAL 4 -15.334 -11.564 12.970 26 HG21 VAL 4 3HG2 VAL 4 -15.424 -9.894 11.555 27 HG22 VAL 4 1HG2 VAL 4 -16.491 -8.516 11.824 28 HG23 VAL 4 2HG2 VAL 4 -14.805 -8.438 12.334 29 H LEU 5 H LEU 5 -17.174 -7.409 14.200 30 HA LEU 5 HA LEU 5 -18.913 -6.415 12.067 31 HB2 LEU 5 1HB LEU 5 -19.097 -5.546 14.948 32 HB3 LEU 5 2HB LEU 5 -19.950 -4.797 13.599 33 HG LEU 5 HG LEU 5 -20.356 -7.682 14.347 34 HD11 LEU 5 1HD1 LEU 5 -20.825 -6.121 16.268 35 HD12 LEU 5 2HD1 LEU 5 -22.192 -7.087 15.716 36 HD13 LEU 5 3HD1 LEU 5 -22.074 -5.388 15.261 37 HD21 LEU 5 3HD2 LEU 5 -22.312 -7.534 13.041 38 HD22 LEU 5 1HD2 LEU 5 -21.047 -6.755 12.091 39 HD23 LEU 5 2HD2 LEU 5 -22.224 -5.774 12.964 40 H ALA 6 H ALA 6 -17.752 -5.051 10.896 41 HA ALA 6 HA ALA 6 -16.210 -3.500 10.263 42 HB1 ALA 6 1HB ALA 6 -16.548 -2.416 13.055 43 HB2 ALA 6 2HB ALA 6 -15.995 -1.540 11.627 44 HB3 ALA 6 3HB ALA 6 -17.663 -2.105 11.724 45 H THR 7 H THR 7 -15.364 -5.990 11.741 46 HA THR 7 HA THR 7 -13.474 -6.948 12.589 47 HB THR 7 HB THR 7 -11.440 -5.182 11.717 48 HG1 THR 7 1HG THR 7 -13.493 -5.525 9.766 49 HG21 THR 7 3HG2 THR 7 -11.991 -7.835 11.583 50 HG22 THR 7 1HG2 THR 7 -10.698 -7.046 10.681 51 HG23 THR 7 2HG2 THR 7 -12.252 -7.356 9.906 52 H SER 8 H SER 8 -13.839 -6.545 14.785 53 HA SER 8 HA SER 8 -12.886 -4.096 15.988 54 HB2 SER 8 1HB SER 8 -13.848 -6.612 17.367 55 HB3 SER 8 2HB SER 8 -13.717 -4.999 18.069 56 HG SER 8 HG SER 8 -15.802 -6.027 16.883 57 H ILE 9 H ILE 9 -10.661 -4.227 15.380 58 HA ILE 9 HA ILE 9 -9.113 -5.922 17.207 59 HB ILE 9 HB ILE 9 -8.449 -5.542 14.284 60 HG12 ILE 9 1HG1 ILE 9 -8.602 -8.265 14.906 61 HG13 ILE 9 2HG1 ILE 9 -9.992 -7.543 15.711 62 HG21 ILE 9 1HG2 ILE 9 -6.400 -5.614 15.414 63 HG22 ILE 9 2HG2 ILE 9 -6.973 -6.826 16.558 64 HG23 ILE 9 3HG2 ILE 9 -6.666 -7.274 14.880 65 HD11 ILE 9 3HD1 ILE 9 -11.061 -7.181 13.787 66 HD12 ILE 9 1HD1 ILE 9 -9.601 -6.633 12.963 67 HD13 ILE 9 2HD1 ILE 9 -9.929 -8.359 13.123 68 H GLY 10 H GLY 10 -8.292 -3.628 14.605 69 HA2 GLY 10 1HA GLY 10 -6.671 -2.143 16.562 70 HA3 GLY 10 2HA GLY 10 -6.440 -2.118 14.820 71 H THR 11 H THR 11 -6.992 -0.267 13.910 72 HA THR 11 HA THR 11 -9.509 0.963 14.263 73 HB THR 11 HB THR 11 -8.067 3.160 15.113 74 HG1 THR 11 1HG THR 11 -7.077 2.285 17.086 75 HG21 THR 11 3HG2 THR 11 -10.365 2.014 15.790 76 HG22 THR 11 1HG2 THR 11 -9.578 3.201 16.829 77 HG23 THR 11 2HG2 THR 11 -9.405 1.479 17.169 78 H TYR 12 H TYR 12 -9.920 2.434 12.663 79 HA TYR 12 HA TYR 12 -7.650 3.242 10.971 80 HB2 TYR 12 1HB TYR 12 -8.707 1.476 9.768 81 HB3 TYR 12 2HB TYR 12 -10.312 2.110 10.111 82 HD1 TYR 12 2HD TYR 12 -7.196 3.651 8.728 83 HD2 TYR 12 1HD TYR 12 -11.326 2.798 8.158 84 HE1 TYR 12 2HE TYR 12 -7.153 4.891 6.605 85 HE2 TYR 12 1HE TYR 12 -11.294 4.035 6.032 86 HH TYR 12 HH TYR 12 -9.994 5.766 4.929 87 H GLU 13 H GLU 13 -7.539 5.347 11.592 88 HA GLU 13 HA GLU 13 -9.357 7.190 10.489 89 HB2 GLU 13 1HB GLU 13 -10.333 8.152 12.501 90 HB3 GLU 13 2HB GLU 13 -10.788 6.461 12.352 91 HG2 GLU 13 1HG GLU 13 -8.915 5.927 13.941 92 HG3 GLU 13 2HG GLU 13 -8.758 7.662 14.210 93 H ASN 14 H ASN 14 -8.894 9.480 11.353 94 HA ASN 14 HA ASN 14 -7.363 11.152 11.551 95 HB2 ASN 14 1HB ASN 14 -5.834 9.348 13.419 96 HB3 ASN 14 2HB ASN 14 -5.970 11.104 13.461 97 HD21 ASN 14 1HD2 ASN 14 -6.544 9.023 15.483 98 HD22 ASN 14 2HD2 ASN 14 -8.173 9.310 15.980 99 H ARG 15 H ARG 15 -6.963 9.292 9.420 100 HA ARG 15 HA ARG 15 -5.426 8.643 7.868 101 HB2 ARG 15 1HB ARG 15 -4.282 11.157 9.022 102 HB3 ARG 15 2HB ARG 15 -3.345 10.244 7.847 103 HG2 ARG 15 1HG ARG 15 -6.171 11.086 7.303 104 HG3 ARG 15 2HG ARG 15 -4.797 12.145 6.979 105 HD2 ARG 15 1HD ARG 15 -4.552 9.399 5.948 106 HD3 ARG 15 2HD ARG 15 -5.816 10.376 5.202 107 HE ARG 15 HE ARG 15 -2.969 10.722 4.941 108 HH11 ARG 15 1HH1 ARG 15 -6.091 12.243 4.689 109 HH12 ARG 15 2HH1 ARG 15 -5.551 13.467 3.589 110 HH21 ARG 15 1HH2 ARG 15 -2.246 12.328 3.492 111 HH22 ARG 15 2HH2 ARG 15 -3.364 13.514 2.908 112 H THR 16 H THR 16 -5.283 6.892 9.786 113 HA THR 16 HA THR 16 -2.518 6.119 9.835 114 HB THR 16 HB THR 16 -3.897 6.722 12.458 115 HG1 THR 16 1HG THR 16 -2.803 8.520 12.340 116 HG21 THR 16 3HG2 THR 16 -2.606 4.643 12.577 117 HG22 THR 16 1HG2 THR 16 -1.836 5.923 13.513 118 HG23 THR 16 2HG2 THR 16 -1.194 5.478 11.931 119 H LEU 17 H LEU 17 -2.242 3.931 10.183 120 HA LEU 17 HA LEU 17 -4.716 2.382 10.593 121 HB2 LEU 17 1HB LEU 17 -3.251 2.430 8.322 122 HB3 LEU 17 2HB LEU 17 -2.475 1.098 9.176 123 HG LEU 17 HG LEU 17 -4.195 0.312 7.626 124 HD11 LEU 17 1HD1 LEU 17 -5.030 -1.302 9.021 125 HD12 LEU 17 2HD1 LEU 17 -5.353 -0.163 10.328 126 HD13 LEU 17 3HD1 LEU 17 -3.700 -0.681 10.000 127 HD21 LEU 17 3HD2 LEU 17 -6.484 0.856 7.842 128 HD22 LEU 17 1HD2 LEU 17 -5.615 2.390 7.879 129 HD23 LEU 17 2HD2 LEU 17 -6.220 1.684 9.377 130 H LEU 18 H LEU 18 -4.559 1.865 12.719 131 HA LEU 18 HA LEU 18 -2.048 0.915 13.822 132 HB2 LEU 18 1HB LEU 18 -4.199 2.274 14.867 133 HB3 LEU 18 2HB LEU 18 -4.426 0.641 15.490 134 HG LEU 18 HG LEU 18 -2.051 2.446 15.923 135 HD11 LEU 18 1HD1 LEU 18 -3.818 3.064 17.363 136 HD12 LEU 18 2HD1 LEU 18 -2.729 2.066 18.325 137 HD13 LEU 18 3HD1 LEU 18 -4.230 1.383 17.701 138 HD21 LEU 18 3HD2 LEU 18 -1.045 0.363 15.762 139 HD22 LEU 18 1HD2 LEU 18 -2.441 -0.476 16.439 140 HD23 LEU 18 2HD2 LEU 18 -1.400 0.490 17.485 141 H VAL 19 H VAL 19 -1.530 -1.156 14.233 142 HA VAL 19 HA VAL 19 -3.536 -3.230 14.343 143 HB VAL 19 HB VAL 19 -2.188 -4.564 12.558 144 HG11 VAL 19 1HG1 VAL 19 -4.582 -3.752 12.465 145 HG12 VAL 19 2HG1 VAL 19 -3.980 -2.368 11.551 146 HG13 VAL 19 3HG1 VAL 19 -3.786 -4.000 10.911 147 HG21 VAL 19 3HG2 VAL 19 -1.127 -3.326 10.852 148 HG22 VAL 19 1HG2 VAL 19 -1.731 -1.793 11.483 149 HG23 VAL 19 2HG2 VAL 19 -0.492 -2.685 12.367 150 HA PRO 20 HA PRO 20 -0.590 -5.176 16.949 151 HB2 PRO 20 1HB PRO 20 -1.105 -7.804 16.507 152 HB3 PRO 20 2HB PRO 20 -2.198 -6.750 17.412 153 HG2 PRO 20 1HG PRO 20 -2.346 -7.628 14.553 154 HG3 PRO 20 2HG PRO 20 -3.644 -7.510 15.756 155 HD2 PRO 20 1HD PRO 20 -3.242 -5.623 13.856 156 HD3 PRO 20 2HD PRO 20 -3.873 -5.234 15.470 157 H ASP 21 H ASP 21 -0.516 -5.710 13.555 158 HA ASP 21 HA ASP 21 1.929 -7.268 13.608 159 HB2 ASP 21 1HB ASP 21 -0.001 -6.386 11.531 160 HB3 ASP 21 2HB ASP 21 1.662 -6.642 11.010 161 H GLY 22 H GLY 22 0.904 -4.001 12.681 162 HA2 GLY 22 1HA GLY 22 3.579 -3.017 13.224 163 HA3 GLY 22 2HA GLY 22 3.070 -2.891 11.547 164 H ARG 23 H ARG 23 3.002 -0.676 11.443 165 HA ARG 23 HA ARG 23 0.640 0.565 12.481 166 HB2 ARG 23 1HB ARG 23 2.380 0.634 14.378 167 HB3 ARG 23 2HB ARG 23 3.226 1.811 13.382 168 HG2 ARG 23 1HG ARG 23 0.698 2.819 13.389 169 HG3 ARG 23 2HG ARG 23 0.808 2.102 14.998 170 HD2 ARG 23 1HD ARG 23 1.977 3.862 15.678 171 HD3 ARG 23 2HD ARG 23 3.243 3.445 14.524 172 HE ARG 23 HE ARG 23 2.504 5.127 13.142 173 HH11 ARG 23 1HH1 ARG 23 0.165 4.562 15.658 174 HH12 ARG 23 2HH1 ARG 23 -0.773 5.969 15.281 175 HH21 ARG 23 1HH2 ARG 23 1.278 6.983 12.637 176 HH22 ARG 23 2HH2 ARG 23 -0.139 7.345 13.562 177 H LEU 24 H LEU 24 0.127 1.142 10.412 178 HA LEU 24 HA LEU 24 2.060 2.588 8.789 179 HB2 LEU 24 1HB LEU 24 -0.736 1.607 8.266 180 HB3 LEU 24 2HB LEU 24 0.176 2.576 7.111 181 HG LEU 24 HG LEU 24 1.877 0.469 7.710 182 HD11 LEU 24 1HD1 LEU 24 -0.608 -0.370 8.551 183 HD12 LEU 24 2HD1 LEU 24 0.750 -1.408 8.116 184 HD13 LEU 24 3HD1 LEU 24 -0.485 -1.024 6.917 185 HD21 LEU 24 3HD2 LEU 24 0.003 1.026 5.427 186 HD22 LEU 24 1HD2 LEU 24 1.145 -0.318 5.408 187 HD23 LEU 24 2HD2 LEU 24 1.736 1.340 5.529 188 H ALA 25 H ALA 25 1.208 4.556 7.587 189 HA ALA 25 HA ALA 25 -0.817 6.150 8.798 190 HB1 ALA 25 1HB ALA 25 1.830 7.432 9.184 191 HB2 ALA 25 2HB ALA 25 0.335 7.615 10.102 192 HB3 ALA 25 3HB ALA 25 1.346 6.189 10.338 193 H LEU 26 H LEU 26 -1.628 6.917 6.952 194 HA LEU 26 HA LEU 26 -0.336 7.281 4.544 195 HB2 LEU 26 1HB LEU 26 -2.647 8.910 5.588 196 HB3 LEU 26 2HB LEU 26 -2.196 8.703 3.897 197 HG LEU 26 HG LEU 26 -3.882 7.198 3.969 198 HD11 LEU 26 1HD1 LEU 26 -3.066 5.011 4.047 199 HD12 LEU 26 2HD1 LEU 26 -1.897 5.394 5.311 200 HD13 LEU 26 3HD1 LEU 26 -1.648 5.991 3.671 201 HD21 LEU 26 3HD2 LEU 26 -4.973 7.130 5.909 202 HD22 LEU 26 1HD2 LEU 26 -3.505 7.455 6.831 203 HD23 LEU 26 2HD2 LEU 26 -3.903 5.802 6.360 204 H THR 27 H THR 27 1.325 8.532 4.040 205 HA THR 27 HA THR 27 1.725 11.045 5.500 206 HB THR 27 HB THR 27 4.002 10.881 4.160 207 HG1 THR 27 1HG THR 27 4.582 8.741 3.770 208 HG21 THR 27 3HG2 THR 27 3.112 10.104 6.749 209 HG22 THR 27 1HG2 THR 27 4.713 10.653 6.258 210 HG23 THR 27 2HG2 THR 27 4.316 8.936 6.205 211 H ALA 28 H ALA 28 -0.261 10.840 3.420 212 HA ALA 28 HA ALA 28 -1.051 12.174 1.745 213 HB1 ALA 28 1HB ALA 28 -0.175 14.260 1.448 214 HB2 ALA 28 2HB ALA 28 0.573 13.843 2.991 215 HB3 ALA 28 3HB ALA 28 1.493 13.688 1.495 216 H LEU 29 H LEU 29 -1.208 10.717 0.114 217 HA LEU 29 HA LEU 29 0.967 9.572 -1.264 218 HB2 LEU 29 1HB LEU 29 -1.743 9.932 -2.487 219 HB3 LEU 29 2HB LEU 29 -0.606 8.600 -2.687 220 HG LEU 29 HG LEU 29 -1.354 8.683 0.047 221 HD11 LEU 29 1HD1 LEU 29 -3.786 8.287 -0.185 222 HD12 LEU 29 2HD1 LEU 29 -3.684 8.833 -1.858 223 HD13 LEU 29 3HD1 LEU 29 -3.312 9.947 -0.543 224 HD21 LEU 29 3HD2 LEU 29 -2.583 6.659 -1.688 225 HD22 LEU 29 1HD2 LEU 29 -1.539 6.469 -0.280 226 HD23 LEU 29 2HD2 LEU 29 -0.835 6.822 -1.858 227 H HIS 30 H HIS 30 1.908 10.042 -3.230 228 HA HIS 30 HA HIS 30 1.195 12.624 -4.451 229 HB2 HIS 30 1HB HIS 30 3.983 11.584 -3.905 230 HB3 HIS 30 2HB HIS 30 3.617 13.021 -4.855 231 HD1 HIS 30 1HD HIS 30 1.674 14.522 -3.166 232 HD2 HIS 30 2HD HIS 30 4.914 12.492 -1.541 233 HE1 HIS 30 1HE HIS 30 2.095 15.603 -0.935 234 H LYS 31 H LYS 31 1.522 12.801 -6.686 235 HA LYS 31 HA LYS 31 1.608 10.221 -8.066 236 HB2 LYS 31 1HB LYS 31 0.381 12.864 -8.620 237 HB3 LYS 31 2HB LYS 31 0.945 11.954 -10.015 238 HG2 LYS 31 1HG LYS 31 -0.393 9.998 -8.959 239 HG3 LYS 31 2HG LYS 31 -1.211 11.281 -8.064 240 HD2 LYS 31 1HD LYS 31 -2.534 10.969 -9.971 241 HD3 LYS 31 2HD LYS 31 -1.560 12.393 -10.346 242 HE2 LYS 31 1HE LYS 31 0.066 10.763 -11.457 243 HE3 LYS 31 2HE LYS 31 -1.239 9.581 -11.354 244 HZ1 LYS 31 3HZ LYS 31 -0.901 11.209 -13.422 245 HZ2 LYS 31 1HZ LYS 31 -1.945 12.160 -12.490 246 HZ3 LYS 31 2HZ LYS 31 -2.412 10.604 -12.961 247 H GLY 32 H GLY 32 2.982 9.815 -9.806 248 HA2 GLY 32 1HA GLY 32 5.105 11.804 -10.279 249 HA3 GLY 32 2HA GLY 32 5.525 10.142 -9.889 250 H LYS 33 H LYS 33 6.664 10.112 -11.921 251 HA LYS 33 HA LYS 33 4.849 9.609 -14.185 252 HB2 LYS 33 1HB LYS 33 6.339 10.650 -15.708 253 HB3 LYS 33 2HB LYS 33 6.154 11.772 -14.366 254 HG2 LYS 33 1HG LYS 33 8.289 11.135 -13.469 255 HG3 LYS 33 2HG LYS 33 8.463 9.865 -14.683 256 HD2 LYS 33 1HD LYS 33 8.179 11.835 -16.372 257 HD3 LYS 33 2HD LYS 33 8.654 12.833 -14.996 258 HE2 LYS 33 1HE LYS 33 10.469 10.725 -15.002 259 HE3 LYS 33 2HE LYS 33 10.268 11.144 -16.702 260 HZ1 LYS 33 3HZ LYS 33 10.587 13.396 -14.912 261 HZ2 LYS 33 1HZ LYS 33 11.286 13.106 -16.425 262 HZ3 LYS 33 2HZ LYS 33 11.943 12.393 -15.039 263 H ASP 34 H ASP 34 5.372 7.901 -15.535 264 HA ASP 34 HA ASP 34 7.548 6.158 -14.577 265 HB2 ASP 34 1HB ASP 34 6.236 4.261 -14.944 266 HB3 ASP 34 2HB ASP 34 5.080 5.416 -14.287 267 H TYR 35 H TYR 35 7.325 4.288 -16.696 268 HA TYR 35 HA TYR 35 9.115 5.303 -18.544 269 HB2 TYR 35 1HB TYR 35 8.295 3.361 -20.010 270 HB3 TYR 35 2HB TYR 35 8.947 2.960 -18.425 271 HD1 TYR 35 2HD TYR 35 5.827 3.328 -20.370 272 HD2 TYR 35 1HD TYR 35 7.600 1.908 -16.773 273 HE1 TYR 35 2HE TYR 35 3.750 2.127 -19.828 274 HE2 TYR 35 1HE TYR 35 5.529 0.702 -16.221 275 HH TYR 35 HH TYR 35 2.603 1.253 -17.805 276 H GLN 36 H GLN 36 5.600 5.296 -18.612 277 HA GLN 36 HA GLN 36 5.581 6.528 -21.258 278 HB2 GLN 36 1HB GLN 36 3.530 5.261 -19.501 279 HB3 GLN 36 2HB GLN 36 2.995 6.453 -20.678 280 HG2 GLN 36 1HG GLN 36 4.698 4.764 -22.090 281 HG3 GLN 36 2HG GLN 36 3.744 3.700 -21.057 282 HE21 GLN 36 1HE2 GLN 36 1.368 4.123 -21.084 283 HE22 GLN 36 2HE2 GLN 36 0.649 4.513 -22.605 284 H GLY 37 H GLY 37 6.509 7.835 -18.679 285 HA2 GLY 37 1HA GLY 37 6.108 9.781 -17.456 286 HA3 GLY 37 2HA GLY 37 6.075 10.428 -19.090 287 H LYS 38 H LYS 38 3.815 8.510 -17.107 288 HA LYS 38 HA LYS 38 1.918 10.598 -16.861 289 HB2 LYS 38 1HB LYS 38 1.791 8.953 -19.267 290 HB3 LYS 38 2HB LYS 38 0.299 8.899 -18.337 291 HG2 LYS 38 1HG LYS 38 -0.151 11.120 -18.665 292 HG3 LYS 38 2HG LYS 38 1.547 11.543 -18.892 293 HD2 LYS 38 1HD LYS 38 -0.102 9.946 -20.849 294 HD3 LYS 38 2HD LYS 38 0.209 11.679 -20.977 295 HE2 LYS 38 1HE LYS 38 2.713 10.929 -20.787 296 HE3 LYS 38 2HE LYS 38 2.077 9.377 -21.332 297 HZ1 LYS 38 3HZ LYS 38 1.217 11.709 -22.838 298 HZ2 LYS 38 1HZ LYS 38 1.659 10.169 -23.382 299 HZ3 LYS 38 2HZ LYS 38 2.852 11.301 -22.986 300 HA PRO 39 HA PRO 39 -0.150 6.568 -15.268 301 HB2 PRO 39 1HB PRO 39 0.912 4.187 -16.025 302 HB3 PRO 39 2HB PRO 39 -0.323 5.031 -16.967 303 HG2 PRO 39 1HG PRO 39 2.642 4.950 -17.372 304 HG3 PRO 39 2HG PRO 39 1.345 4.828 -18.575 305 HD2 PRO 39 1HD PRO 39 2.719 7.120 -18.142 306 HD3 PRO 39 2HD PRO 39 1.013 7.108 -18.633 307 H MET 40 H MET 40 0.803 7.290 -13.330 308 HA MET 40 HA MET 40 2.561 5.395 -12.097 309 HB2 MET 40 1HB MET 40 3.861 7.407 -13.427 310 HB3 MET 40 2HB MET 40 3.730 8.073 -11.805 311 HG2 MET 40 1HG MET 40 4.734 5.292 -12.196 312 HG3 MET 40 2HG MET 40 5.802 6.667 -12.470 313 HE1 MET 40 3HE MET 40 4.821 4.124 -10.556 314 HE2 MET 40 1HE MET 40 5.936 4.374 -9.212 315 HE3 MET 40 2HE MET 40 4.208 4.645 -8.986 316 H PHE 41 H PHE 41 2.662 5.626 -9.825 317 HA PHE 41 HA PHE 41 1.421 7.836 -8.494 318 HB2 PHE 41 1HB PHE 41 -0.674 6.963 -8.937 319 HB3 PHE 41 2HB PHE 41 -0.096 5.300 -8.941 320 HD1 PHE 41 1HD PHE 41 -0.652 8.183 -6.655 321 HD2 PHE 41 2HD PHE 41 -0.475 3.954 -7.103 322 HE1 PHE 41 1HE PHE 41 -1.449 7.908 -4.343 323 HE2 PHE 41 2HE PHE 41 -1.273 3.672 -4.792 324 HZ PHE 41 HZ PHE 41 -1.762 5.651 -3.410 325 H TYR 42 H TYR 42 2.125 7.985 -6.437 326 HA TYR 42 HA TYR 42 3.687 5.718 -5.398 327 HB2 TYR 42 1HB TYR 42 3.915 8.680 -4.837 328 HB3 TYR 42 2HB TYR 42 4.847 7.440 -4.005 329 HD1 TYR 42 1HD TYR 42 5.951 5.700 -5.834 330 HD2 TYR 42 2HD TYR 42 5.086 9.819 -6.453 331 HE1 TYR 42 1HE TYR 42 7.655 5.785 -7.606 332 HE2 TYR 42 2HE TYR 42 6.787 9.916 -8.227 333 HH TYR 42 HH TYR 42 7.853 8.095 -9.856 334 H VAL 43 H VAL 43 3.367 4.968 -3.338 335 HA VAL 43 HA VAL 43 0.915 5.906 -2.016 336 HB VAL 43 HB VAL 43 2.379 3.292 -1.625 337 HG11 VAL 43 1HG1 VAL 43 0.986 2.838 0.055 338 HG12 VAL 43 2HG1 VAL 43 0.579 4.555 0.049 339 HG13 VAL 43 3HG1 VAL 43 -0.415 3.409 -0.851 340 HG21 VAL 43 3HG2 VAL 43 1.242 3.762 -3.891 341 HG22 VAL 43 1HG2 VAL 43 0.860 2.257 -3.054 342 HG23 VAL 43 2HG2 VAL 43 -0.269 3.611 -2.993 343 H LEU 44 H LEU 44 1.812 7.640 -0.871 344 HA LEU 44 HA LEU 44 4.108 7.350 0.799 345 HB2 LEU 44 1HB LEU 44 1.999 9.439 0.442 346 HB3 LEU 44 2HB LEU 44 3.112 9.533 1.806 347 HG LEU 44 HG LEU 44 3.847 10.949 -0.033 348 HD11 LEU 44 1HD1 LEU 44 5.905 10.521 0.660 349 HD12 LEU 44 2HD1 LEU 44 5.979 9.110 -0.396 350 HD13 LEU 44 3HD1 LEU 44 5.382 8.945 1.255 351 HD21 LEU 44 3HD2 LEU 44 3.992 10.311 -2.187 352 HD22 LEU 44 1HD2 LEU 44 2.847 9.064 -1.691 353 HD23 LEU 44 2HD2 LEU 44 4.569 8.693 -1.780 354 H PHE 45 H PHE 45 4.127 6.123 2.557 355 HA PHE 45 HA PHE 45 1.984 6.419 4.513 356 HB2 PHE 45 1HB PHE 45 1.773 3.989 4.822 357 HB3 PHE 45 2HB PHE 45 1.317 4.468 3.190 358 HD1 PHE 45 1HD PHE 45 4.091 3.037 5.188 359 HD2 PHE 45 2HD PHE 45 2.355 3.513 1.331 360 HE1 PHE 45 1HE PHE 45 5.691 1.409 4.271 361 HE2 PHE 45 2HE PHE 45 3.952 1.886 0.408 362 HZ PHE 45 HZ PHE 45 5.622 0.830 1.878 363 H GLU 46 H GLU 46 2.568 5.464 6.630 364 HA GLU 46 HA GLU 46 5.485 5.553 7.035 365 HB2 GLU 46 1HB GLU 46 4.036 7.415 8.029 366 HB3 GLU 46 2HB GLU 46 3.426 6.195 9.137 367 HG2 GLU 46 1HG GLU 46 6.291 6.129 9.088 368 HG3 GLU 46 2HG GLU 46 5.724 7.767 9.408 369 H LEU 47 H LEU 47 5.444 3.231 6.570 370 HA LEU 47 HA LEU 47 4.122 1.489 8.454 371 HB2 LEU 47 1HB LEU 47 4.307 0.741 6.190 372 HB3 LEU 47 2HB LEU 47 6.053 0.981 6.200 373 HG LEU 47 HG LEU 47 5.060 -1.419 6.376 374 HD11 LEU 47 1HD1 LEU 47 7.130 -2.021 6.965 375 HD12 LEU 47 2HD1 LEU 47 7.057 -1.136 8.489 376 HD13 LEU 47 3HD1 LEU 47 7.470 -0.290 6.998 377 HD21 LEU 47 3HD2 LEU 47 5.155 -0.907 9.308 378 HD22 LEU 47 1HD2 LEU 47 4.315 -2.169 8.406 379 HD23 LEU 47 2HD2 LEU 47 3.675 -0.526 8.427 380 H THR 48 H THR 48 4.898 1.240 10.437 381 HA THR 48 HA THR 48 7.782 1.475 10.900 382 HB THR 48 HB THR 48 5.713 1.210 13.067 383 HG1 THR 48 1HG THR 48 4.938 2.996 12.134 384 HG21 THR 48 3HG2 THR 48 7.686 1.182 14.178 385 HG22 THR 48 1HG2 THR 48 7.587 2.930 13.965 386 HG23 THR 48 2HG2 THR 48 8.562 1.960 12.860 387 H ASN 49 H ASN 49 9.002 -0.262 11.239 388 HA ASN 49 HA ASN 49 7.838 -2.881 11.273 389 HB2 ASN 49 1HB ASN 49 10.020 -2.270 10.154 390 HB3 ASN 49 2HB ASN 49 10.731 -2.160 11.762 391 HD21 ASN 49 1HD2 ASN 49 12.114 -3.837 11.662 392 HD22 ASN 49 2HD2 ASN 49 11.634 -5.484 11.457 393 H THR 50 H THR 50 6.582 -2.382 13.287 394 HA THR 50 HA THR 50 7.724 -2.022 15.796 395 HB THR 50 HB THR 50 5.265 -1.932 15.255 396 HG1 THR 50 1HG THR 50 4.697 -2.759 17.346 397 HG21 THR 50 3HG2 THR 50 5.138 -4.857 15.835 398 HG22 THR 50 1HG2 THR 50 5.456 -4.324 14.185 399 HG23 THR 50 2HG2 THR 50 3.975 -3.825 15.004 400 H THR 51 H THR 51 7.717 -4.794 13.761 401 HA THR 51 HA THR 51 7.978 -6.848 15.651 402 HB THR 51 HB THR 51 8.805 -8.227 13.899 403 HG1 THR 51 1HG THR 51 9.757 -7.398 12.054 404 HG21 THR 51 3HG2 THR 51 6.458 -7.411 13.661 405 HG22 THR 51 1HG2 THR 51 7.209 -7.875 12.136 406 HG23 THR 51 2HG2 THR 51 7.050 -6.170 12.557 407 H GLU 52 H GLU 52 10.321 -8.178 15.113 408 HA GLU 52 HA GLU 52 12.448 -6.346 15.980 409 HB2 GLU 52 1HB GLU 52 11.855 -9.038 17.222 410 HB3 GLU 52 2HB GLU 52 13.209 -7.994 17.632 411 HG2 GLU 52 1HG GLU 52 11.099 -6.317 17.992 412 HG3 GLU 52 2HG GLU 52 10.410 -7.868 18.467 413 H LYS 53 H LYS 53 11.986 -7.389 13.382 414 HA LYS 53 HA LYS 53 14.345 -9.130 13.093 415 HB2 LYS 53 1HB LYS 53 11.810 -9.175 11.445 416 HB3 LYS 53 2HB LYS 53 13.253 -10.119 11.098 417 HG2 LYS 53 1HG LYS 53 12.171 -10.436 13.812 418 HG3 LYS 53 2HG LYS 53 11.141 -11.027 12.506 419 HD2 LYS 53 1HD LYS 53 13.449 -12.070 11.690 420 HD3 LYS 53 2HD LYS 53 13.802 -11.979 13.417 421 HE2 LYS 53 1HE LYS 53 12.842 -14.049 13.326 422 HE3 LYS 53 2HE LYS 53 11.404 -13.068 13.606 423 HZ1 LYS 53 3HZ LYS 53 10.897 -14.539 11.853 424 HZ2 LYS 53 1HZ LYS 53 12.344 -14.213 11.040 425 HZ3 LYS 53 2HZ LYS 53 11.138 -13.031 11.127 426 H THR 54 H THR 54 15.452 -8.927 11.004 427 HA THR 54 HA THR 54 15.275 -6.170 9.981 428 HB THR 54 HB THR 54 17.722 -7.875 9.655 429 HG1 THR 54 1HG THR 54 18.453 -6.848 11.651 430 HG21 THR 54 3HG2 THR 54 18.813 -5.633 9.740 431 HG22 THR 54 1HG2 THR 54 17.210 -4.906 9.833 432 HG23 THR 54 2HG2 THR 54 17.680 -5.822 8.402 433 H GLN 55 H GLN 55 13.938 -8.784 9.111 434 HA GLN 55 HA GLN 55 15.012 -9.545 6.618 435 HB2 GLN 55 1HB GLN 55 12.971 -10.720 6.257 436 HB3 GLN 55 2HB GLN 55 13.326 -10.832 7.975 437 HG2 GLN 55 1HG GLN 55 11.778 -8.577 7.832 438 HG3 GLN 55 2HG GLN 55 11.064 -9.619 6.604 439 HE21 GLN 55 1HE2 GLN 55 10.496 -8.699 9.537 440 HE22 GLN 55 2HE2 GLN 55 9.940 -10.156 10.279 441 H ASN 56 H ASN 56 13.421 -9.348 4.604 442 HA ASN 56 HA ASN 56 13.684 -6.799 3.583 443 HB2 ASN 56 1HB ASN 56 12.131 -9.209 2.830 444 HB3 ASN 56 2HB ASN 56 11.606 -7.691 2.108 445 HD21 ASN 56 1HD2 ASN 56 13.863 -6.346 1.651 446 HD22 ASN 56 2HD2 ASN 56 14.891 -7.208 0.563 447 H ILE 57 H ILE 57 11.758 -5.462 2.731 448 HA ILE 57 HA ILE 57 10.048 -4.862 5.037 449 HB ILE 57 HB ILE 57 10.329 -3.087 2.634 450 HG12 ILE 57 1HG1 ILE 57 12.190 -3.205 5.017 451 HG13 ILE 57 2HG1 ILE 57 12.610 -3.596 3.353 452 HG21 ILE 57 1HG2 ILE 57 10.206 -1.614 4.994 453 HG22 ILE 57 2HG2 ILE 57 8.902 -1.881 3.838 454 HG23 ILE 57 3HG2 ILE 57 9.079 -2.950 5.230 455 HD11 ILE 57 3HD1 ILE 57 11.514 -0.984 3.390 456 HD12 ILE 57 1HD1 ILE 57 12.727 -1.096 4.665 457 HD13 ILE 57 2HD1 ILE 57 13.158 -1.489 3.001 458 H GLN 58 H GLN 58 9.904 -5.317 1.523 459 HA GLN 58 HA GLN 58 7.190 -4.929 1.126 460 HB2 GLN 58 1HB GLN 58 8.561 -5.163 -0.788 461 HB3 GLN 58 2HB GLN 58 9.175 -6.722 -0.254 462 HG2 GLN 58 1HG GLN 58 6.956 -7.703 -0.604 463 HG3 GLN 58 2HG GLN 58 6.369 -6.142 -1.175 464 HE21 GLN 58 1HE2 GLN 58 8.374 -5.274 -2.759 465 HE22 GLN 58 2HE2 GLN 58 8.589 -6.340 -4.102 466 H LEU 59 H LEU 59 8.819 -7.515 2.712 467 HA LEU 59 HA LEU 59 6.886 -9.547 2.421 468 HB2 LEU 59 1HB LEU 59 9.322 -9.137 3.852 469 HB3 LEU 59 2HB LEU 59 8.117 -9.796 4.956 470 HG LEU 59 HG LEU 59 8.755 -11.077 2.309 471 HD11 LEU 59 1HD1 LEU 59 10.185 -12.632 3.568 472 HD12 LEU 59 2HD1 LEU 59 10.006 -11.616 4.998 473 HD13 LEU 59 3HD1 LEU 59 10.820 -10.987 3.566 474 HD21 LEU 59 3HD2 LEU 59 7.917 -12.764 4.505 475 HD22 LEU 59 1HD2 LEU 59 7.238 -12.599 2.886 476 HD23 LEU 59 2HD2 LEU 59 6.737 -11.497 4.168 477 H MET 60 H MET 60 6.834 -6.632 4.162 478 HA MET 60 HA MET 60 4.719 -7.602 5.954 479 HB2 MET 60 1HB MET 60 6.065 -4.907 6.065 480 HB3 MET 60 2HB MET 60 5.116 -5.693 7.320 481 HG2 MET 60 1HG MET 60 7.226 -7.442 6.724 482 HG3 MET 60 2HG MET 60 7.928 -5.827 6.814 483 HE1 MET 60 3HE MET 60 6.481 -4.267 8.405 484 HE2 MET 60 1HE MET 60 5.589 -4.864 9.805 485 HE3 MET 60 2HE MET 60 7.284 -4.406 9.970 486 H ILE 61 H ILE 61 5.449 -4.763 3.920 487 HA ILE 61 HA ILE 61 2.948 -3.595 3.916 488 HB ILE 61 HB ILE 61 4.997 -3.685 1.703 489 HG12 ILE 61 1HG1 ILE 61 5.699 -2.620 3.826 490 HG13 ILE 61 2HG1 ILE 61 5.605 -1.467 2.499 491 HG21 ILE 61 1HG2 ILE 61 3.685 -1.488 1.088 492 HG22 ILE 61 2HG2 ILE 61 3.165 -3.060 0.485 493 HG23 ILE 61 3HG2 ILE 61 2.351 -2.336 1.871 494 HD11 ILE 61 3HD1 ILE 61 3.538 -1.850 4.652 495 HD12 ILE 61 1HD1 ILE 61 4.708 -0.534 4.553 496 HD13 ILE 61 2HD1 ILE 61 3.449 -0.690 3.327 497 H GLN 62 H GLN 62 4.061 -6.409 2.189 498 HA GLN 62 HA GLN 62 1.955 -6.529 0.289 499 HB2 GLN 62 1HB GLN 62 4.011 -8.451 1.299 500 HB3 GLN 62 2HB GLN 62 2.675 -9.059 0.331 501 HG2 GLN 62 1HG GLN 62 3.295 -7.402 -1.427 502 HG3 GLN 62 2HG GLN 62 4.726 -7.012 -0.473 503 HE21 GLN 62 1HE2 GLN 62 5.565 -9.424 0.394 504 HE22 GLN 62 2HE2 GLN 62 6.010 -10.427 -0.940 505 H SER 63 H SER 63 2.352 -7.710 3.566 506 HA SER 63 HA SER 63 -0.235 -9.072 3.448 507 HB2 SER 63 1HB SER 63 2.194 -9.504 4.901 508 HB3 SER 63 2HB SER 63 0.886 -9.238 6.053 509 HG SER 63 HG SER 63 1.227 -11.466 5.277 510 H PHE 64 H PHE 64 0.808 -6.032 3.971 511 HA PHE 64 HA PHE 64 -0.995 -5.458 6.201 512 HB2 PHE 64 1HB PHE 64 1.297 -4.052 4.932 513 HB3 PHE 64 2HB PHE 64 0.033 -3.050 5.638 514 HD1 PHE 64 2HD PHE 64 -0.776 -4.346 8.022 515 HD2 PHE 64 1HD PHE 64 3.118 -4.140 6.315 516 HE1 PHE 64 2HE PHE 64 0.214 -4.667 10.251 517 HE2 PHE 64 1HE PHE 64 4.115 -4.462 8.542 518 HZ PHE 64 HZ PHE 64 2.662 -4.725 10.513 519 H MET 65 H MET 65 -0.253 -3.599 3.264 520 HA MET 65 HA MET 65 -3.124 -3.065 2.972 521 HB2 MET 65 1HB MET 65 -2.303 -1.238 1.405 522 HB3 MET 65 2HB MET 65 -1.925 -1.034 3.111 523 HG2 MET 65 1HG MET 65 0.336 -1.830 2.726 524 HG3 MET 65 2HG MET 65 -0.036 -2.098 1.024 525 HE1 MET 65 3HE MET 65 0.715 0.600 -0.777 526 HE2 MET 65 1HE MET 65 -0.497 -0.666 -0.573 527 HE3 MET 65 2HE MET 65 -0.952 1.028 -0.389 528 H GLU 66 H GLU 66 -4.250 -3.762 1.253 529 HA GLU 66 HA GLU 66 -2.748 -5.059 -0.926 530 HB2 GLU 66 1HB GLU 66 -3.846 -6.796 0.248 531 HB3 GLU 66 2HB GLU 66 -5.323 -5.857 0.414 532 HG2 GLU 66 1HG GLU 66 -5.718 -6.036 -1.984 533 HG3 GLU 66 2HG GLU 66 -4.231 -6.965 -2.162 534 H VAL 67 H VAL 67 -2.825 -3.778 -2.652 535 HA VAL 67 HA VAL 67 -5.244 -2.210 -3.181 536 HB VAL 67 HB VAL 67 -2.544 -2.042 -4.526 537 HG11 VAL 67 1HG1 VAL 67 -3.383 0.111 -5.377 538 HG12 VAL 67 2HG1 VAL 67 -4.337 -1.255 -5.956 539 HG13 VAL 67 3HG1 VAL 67 -4.955 -0.234 -4.657 540 HG21 VAL 67 3HG2 VAL 67 -2.543 0.192 -3.208 541 HG22 VAL 67 1HG2 VAL 67 -3.724 -0.616 -2.176 542 HG23 VAL 67 2HG2 VAL 67 -2.111 -1.300 -2.373 543 H SER 68 H SER 68 -6.339 -2.305 -5.142 544 HA SER 68 HA SER 68 -5.521 -4.214 -7.163 545 HB2 SER 68 1HB SER 68 -8.258 -4.828 -6.634 546 HB3 SER 68 2HB SER 68 -6.859 -5.899 -6.545 547 HG SER 68 HG SER 68 -7.728 -5.882 -4.528 548 H GLN 69 H GLN 69 -7.254 -4.287 -8.953 549 HA GLN 69 HA GLN 69 -8.918 -1.940 -9.169 550 HB2 GLN 69 1HB GLN 69 -6.270 -2.107 -10.467 551 HB3 GLN 69 2HB GLN 69 -7.591 -1.592 -11.509 552 HG2 GLN 69 1HG GLN 69 -8.130 0.197 -9.926 553 HG3 GLN 69 2HG GLN 69 -6.784 -0.310 -8.908 554 HE21 GLN 69 1HE2 GLN 69 -7.687 1.909 -11.090 555 HE22 GLN 69 2HE2 GLN 69 -6.154 2.316 -11.773 556 H THR 70 H THR 70 -10.334 -2.002 -10.980 557 HA THR 70 HA THR 70 -11.139 -4.622 -11.709 558 HB THR 70 HB THR 70 -12.230 -2.589 -13.461 559 HG1 THR 70 1HG THR 70 -12.680 -1.048 -12.066 560 HG21 THR 70 3HG2 THR 70 -13.266 -4.474 -11.367 561 HG22 THR 70 1HG2 THR 70 -13.515 -4.512 -13.112 562 HG23 THR 70 2HG2 THR 70 -14.325 -3.290 -12.132 563 H VAL 71 H VAL 71 -10.789 -5.799 -13.514 564 HA VAL 71 HA VAL 71 -9.481 -4.556 -15.814 565 HB VAL 71 HB VAL 71 -8.385 -7.093 -14.607 566 HG11 VAL 71 1HG1 VAL 71 -7.550 -5.295 -16.863 567 HG12 VAL 71 2HG1 VAL 71 -6.430 -6.426 -16.102 568 HG13 VAL 71 3HG1 VAL 71 -7.884 -7.026 -16.900 569 HG21 VAL 71 3HG2 VAL 71 -6.470 -5.725 -13.859 570 HG22 VAL 71 1HG2 VAL 71 -7.349 -4.273 -14.337 571 HG23 VAL 71 2HG2 VAL 71 -7.971 -5.293 -13.041 572 H HIS 72 H HIS 72 -10.768 -5.035 -17.462 573 HA HIS 72 HA HIS 72 -12.109 -6.170 -18.907 574 HB2 HIS 72 1HB HIS 72 -9.993 -7.914 -18.223 575 HB3 HIS 72 2HB HIS 72 -11.461 -8.887 -18.233 576 HD1 HIS 72 1HD HIS 72 -12.992 -8.202 -20.562 577 HD2 HIS 72 2HD HIS 72 -8.847 -7.943 -20.656 578 HE1 HIS 72 1HE HIS 72 -12.368 -8.287 -22.997 579 H GLY 73 H GLY 73 -12.875 -5.780 -15.999 580 HA2 GLY 73 1HA GLY 73 -15.042 -6.040 -15.106 581 HA3 GLY 73 2HA GLY 73 -15.273 -7.446 -16.134 582 H LYS 74 H LYS 74 -12.335 -7.208 -14.343 583 HA LYS 74 HA LYS 74 -13.340 -8.750 -12.100 584 HB2 LYS 74 1HB LYS 74 -11.529 -9.891 -14.209 585 HB3 LYS 74 2HB LYS 74 -11.453 -10.474 -12.551 586 HG2 LYS 74 1HG LYS 74 -14.145 -10.542 -13.111 587 HG3 LYS 74 2HG LYS 74 -13.399 -11.023 -14.637 588 HD2 LYS 74 1HD LYS 74 -12.287 -12.263 -12.198 589 HD3 LYS 74 2HD LYS 74 -13.932 -12.737 -12.628 590 HE2 LYS 74 1HE LYS 74 -12.830 -14.269 -13.880 591 HE3 LYS 74 2HE LYS 74 -12.785 -12.938 -15.035 592 HZ1 LYS 74 3HZ LYS 74 -10.627 -14.249 -14.363 593 HZ2 LYS 74 1HZ LYS 74 -10.609 -13.134 -13.091 594 HZ3 LYS 74 2HZ LYS 74 -10.580 -12.591 -14.693 595 H ALA 75 H ALA 75 -12.251 -8.269 -10.295 596 HA ALA 75 HA ALA 75 -10.408 -6.229 -10.119 597 HB1 ALA 75 1HB ALA 75 -11.678 -7.048 -8.208 598 HB2 ALA 75 2HB ALA 75 -10.742 -8.543 -8.213 599 HB3 ALA 75 3HB ALA 75 -9.951 -7.009 -7.847 600 H GLN 76 H GLN 76 -8.145 -6.218 -9.570 601 HA GLN 76 HA GLN 76 -6.623 -8.611 -10.253 602 HB2 GLN 76 1HB GLN 76 -6.749 -7.552 -12.388 603 HB3 GLN 76 2HB GLN 76 -6.396 -5.973 -11.698 604 HG2 GLN 76 1HG GLN 76 -4.166 -6.362 -11.585 605 HG3 GLN 76 2HG GLN 76 -4.367 -8.095 -11.332 606 HE21 GLN 76 1HE2 GLN 76 -3.896 -5.583 -13.609 607 HE22 GLN 76 2HE2 GLN 76 -3.795 -6.574 -15.021 608 H ASN 77 H ASN 77 -4.535 -8.662 -9.394 609 HA ASN 77 HA ASN 77 -4.159 -6.947 -7.098 610 HB2 ASN 77 1HB ASN 77 -2.197 -8.416 -6.648 611 HB3 ASN 77 2HB ASN 77 -3.704 -9.309 -6.829 612 HD21 ASN 77 1HD2 ASN 77 -4.094 -10.391 -8.839 613 HD22 ASN 77 2HD2 ASN 77 -2.763 -10.936 -9.797 614 H LEU 78 H LEU 78 -3.588 -4.924 -7.791 615 HA LEU 78 HA LEU 78 -1.889 -4.255 -9.874 616 HB2 LEU 78 1HB LEU 78 -2.449 -2.846 -7.275 617 HB3 LEU 78 2HB LEU 78 -1.492 -2.132 -8.572 618 HG LEU 78 HG LEU 78 -4.412 -2.880 -8.678 619 HD11 LEU 78 1HD1 LEU 78 -4.899 -0.704 -8.372 620 HD12 LEU 78 2HD1 LEU 78 -3.476 -0.148 -9.252 621 HD13 LEU 78 3HD1 LEU 78 -3.325 -0.675 -7.576 622 HD21 LEU 78 3HD2 LEU 78 -2.602 -1.775 -10.822 623 HD22 LEU 78 1HD2 LEU 78 -4.360 -1.873 -10.932 624 HD23 LEU 78 2HD2 LEU 78 -3.399 -3.349 -10.820 625 H GLN 79 H GLN 79 0.178 -4.699 -10.209 626 HA GLN 79 HA GLN 79 1.895 -5.314 -7.915 627 HB2 GLN 79 1HB GLN 79 3.382 -6.385 -9.515 628 HB3 GLN 79 2HB GLN 79 1.747 -7.007 -9.695 629 HG2 GLN 79 1HG GLN 79 2.038 -4.792 -11.441 630 HG3 GLN 79 2HG GLN 79 3.432 -5.850 -11.655 631 HE21 GLN 79 1HE2 GLN 79 3.066 -8.040 -12.239 632 HE22 GLN 79 2HE2 GLN 79 1.618 -8.502 -13.060 633 H TYR 80 H TYR 80 4.288 -4.703 -8.335 634 HA TYR 80 HA TYR 80 4.574 -1.967 -8.159 635 HB2 TYR 80 1HB TYR 80 6.301 -3.535 -7.422 636 HB3 TYR 80 2HB TYR 80 6.630 -3.981 -9.093 637 HD1 TYR 80 2HD TYR 80 6.736 -1.124 -6.720 638 HD2 TYR 80 1HD TYR 80 8.182 -2.770 -10.368 639 HE1 TYR 80 2HE TYR 80 8.403 0.678 -6.866 640 HE2 TYR 80 1HE TYR 80 9.854 -0.973 -10.523 641 HH TYR 80 HH TYR 80 10.724 0.822 -9.553 642 H ALA 81 H ALA 81 4.477 -0.356 -9.570 643 HA ALA 81 HA ALA 81 4.168 -0.896 -12.382 644 HB1 ALA 81 1HB ALA 81 2.834 0.865 -12.049 645 HB2 ALA 81 2HB ALA 81 3.684 1.346 -10.580 646 HB3 ALA 81 3HB ALA 81 4.305 1.832 -12.157 647 H VAL 82 H VAL 82 5.674 -0.764 -13.923 648 HA VAL 82 HA VAL 82 8.412 -0.416 -13.260 649 HB VAL 82 HB VAL 82 7.094 -0.506 -15.978 650 HG11 VAL 82 1HG1 VAL 82 9.987 -0.732 -15.163 651 HG12 VAL 82 2HG1 VAL 82 9.369 -1.160 -16.760 652 HG13 VAL 82 3HG1 VAL 82 9.257 0.505 -16.187 653 HG21 VAL 82 3HG2 VAL 82 8.032 -2.868 -15.925 654 HG22 VAL 82 1HG2 VAL 82 8.250 -2.629 -14.191 655 HG23 VAL 82 2HG2 VAL 82 6.635 -2.549 -14.896 656 H LEU 83 H LEU 83 9.835 1.235 -13.764 657 HA LEU 83 HA LEU 83 8.947 3.614 -15.120 658 HB2 LEU 83 1HB LEU 83 9.577 5.056 -13.115 659 HB3 LEU 83 2HB LEU 83 8.010 4.250 -13.087 660 HG LEU 83 HG LEU 83 9.529 2.436 -11.771 661 HD11 LEU 83 1HD1 LEU 83 10.901 5.039 -11.596 662 HD12 LEU 83 2HD1 LEU 83 11.530 3.404 -11.394 663 HD13 LEU 83 3HD1 LEU 83 10.660 4.184 -10.072 664 HD21 LEU 83 3HD2 LEU 83 8.185 2.926 -10.017 665 HD22 LEU 83 1HD2 LEU 83 7.356 3.903 -11.230 666 HD23 LEU 83 2HD2 LEU 83 8.498 4.660 -10.118 667 H THR 84 H THR 84 10.622 4.114 -16.352 668 HA THR 84 HA THR 84 13.161 3.116 -16.246 669 HB THR 84 HB THR 84 12.709 4.241 -18.219 670 HG1 THR 84 1HG THR 84 14.773 4.854 -17.799 671 HG21 THR 84 3HG2 THR 84 12.214 6.894 -17.846 672 HG22 THR 84 1HG2 THR 84 11.412 6.188 -16.444 673 HG23 THR 84 2HG2 THR 84 10.970 5.665 -18.069 674 H ASP 85 H ASP 85 11.956 6.034 -14.652 675 HA ASP 85 HA ASP 85 14.033 5.859 -12.667 676 HB2 ASP 85 1HB ASP 85 14.227 7.764 -14.897 677 HB3 ASP 85 2HB ASP 85 14.384 8.501 -13.305 678 H SER 86 H SER 86 13.461 6.832 -10.771 679 HA SER 86 HA SER 86 11.066 8.535 -10.775 680 HB2 SER 86 1HB SER 86 9.955 6.708 -9.995 681 HB3 SER 86 2HB SER 86 11.434 5.909 -9.462 682 HG SER 86 HG SER 86 9.765 6.889 -7.873 683 HA PRO 87 HA PRO 87 13.457 11.117 -8.133 684 HB2 PRO 87 1HB PRO 87 11.444 12.507 -6.955 685 HB3 PRO 87 2HB PRO 87 11.942 12.771 -8.630 686 HG2 PRO 87 1HG PRO 87 9.647 11.171 -7.566 687 HG3 PRO 87 2HG PRO 87 9.691 12.280 -8.949 688 HD2 PRO 87 1HD PRO 87 9.817 9.590 -9.234 689 HD3 PRO 87 2HD PRO 87 10.641 10.707 -10.340 690 H PHE 88 H PHE 88 10.955 9.037 -6.880 691 HA PHE 88 HA PHE 88 11.924 9.376 -4.140 692 HB2 PHE 88 1HB PHE 88 9.460 8.181 -5.357 693 HB3 PHE 88 2HB PHE 88 9.954 7.692 -3.739 694 HD1 PHE 88 2HD PHE 88 9.789 10.932 -5.591 695 HD2 PHE 88 1HD PHE 88 8.751 8.733 -2.098 696 HE1 PHE 88 2HE PHE 88 8.699 12.932 -4.661 697 HE2 PHE 88 1HE PHE 88 7.658 10.729 -1.162 698 HZ PHE 88 HZ PHE 88 7.632 12.832 -2.443 699 H GLN 89 H GLN 89 13.680 8.143 -5.969 700 HA GLN 89 HA GLN 89 13.548 5.308 -5.808 701 HB2 GLN 89 1HB GLN 89 15.030 7.099 -7.260 702 HB3 GLN 89 2HB GLN 89 16.222 6.478 -6.126 703 HG2 GLN 89 1HG GLN 89 16.245 5.205 -8.184 704 HG3 GLN 89 2HG GLN 89 15.718 4.200 -6.835 705 HE21 GLN 89 1HE2 GLN 89 14.238 2.826 -7.491 706 HE22 GLN 89 2HE2 GLN 89 12.927 3.171 -8.562 707 H ASP 90 H ASP 90 14.249 7.637 -3.510 708 HA ASP 90 HA ASP 90 16.232 6.153 -2.036 709 HB2 ASP 90 1HB ASP 90 15.241 8.802 -2.018 710 HB3 ASP 90 2HB ASP 90 14.900 8.126 -0.427 711 H LYS 91 H LYS 91 12.827 6.154 -2.288 712 HA LYS 91 HA LYS 91 12.628 4.518 0.156 713 HB2 LYS 91 1HB LYS 91 10.066 5.304 -0.250 714 HB3 LYS 91 2HB LYS 91 11.195 6.140 0.808 715 HG2 LYS 91 1HG LYS 91 11.118 6.907 -2.062 716 HG3 LYS 91 2HG LYS 91 9.801 7.428 -1.009 717 HD2 LYS 91 1HD LYS 91 11.104 8.895 0.103 718 HD3 LYS 91 2HD LYS 91 12.505 7.821 0.081 719 HE2 LYS 91 1HE LYS 91 12.862 8.397 -2.295 720 HE3 LYS 91 2HE LYS 91 11.512 9.526 -2.201 721 HZ1 LYS 91 3HZ LYS 91 13.926 10.367 -1.870 722 HZ2 LYS 91 1HZ LYS 91 13.737 9.775 -0.296 723 HZ3 LYS 91 2HZ LYS 91 12.690 10.967 -0.882 724 H LEU 92 H LEU 92 12.699 4.341 -3.094 725 HA LEU 92 HA LEU 92 10.522 2.461 -3.463 726 HB2 LEU 92 1HB LEU 92 12.556 3.738 -5.230 727 HB3 LEU 92 2HB LEU 92 11.752 2.267 -5.772 728 HG LEU 92 HG LEU 92 10.338 4.819 -5.004 729 HD11 LEU 92 1HD1 LEU 92 11.346 3.772 -7.610 730 HD12 LEU 92 2HD1 LEU 92 11.371 5.415 -6.971 731 HD13 LEU 92 3HD1 LEU 92 9.861 4.722 -7.563 732 HD21 LEU 92 3HD2 LEU 92 8.972 2.865 -6.684 733 HD22 LEU 92 1HD2 LEU 92 8.402 3.733 -5.258 734 HD23 LEU 92 2HD2 LEU 92 9.352 2.259 -5.071 735 H ASP 93 H ASP 93 14.064 2.424 -3.429 736 HA ASP 93 HA ASP 93 14.367 -0.320 -4.010 737 HB2 ASP 93 1HB ASP 93 16.108 1.668 -3.929 738 HB3 ASP 93 2HB ASP 93 16.347 1.100 -2.279 739 H ARG 94 H ARG 94 13.219 1.258 -1.246 740 HA ARG 94 HA ARG 94 14.119 -0.277 0.869 741 HB2 ARG 94 1HB ARG 94 11.328 0.823 0.490 742 HB3 ARG 94 2HB ARG 94 12.048 0.343 2.021 743 HG2 ARG 94 1HG ARG 94 13.056 2.566 0.257 744 HG3 ARG 94 2HG ARG 94 12.046 2.776 1.690 745 HD2 ARG 94 1HD ARG 94 13.942 2.930 2.852 746 HD3 ARG 94 2HD ARG 94 14.136 1.199 2.579 747 HE ARG 94 HE ARG 94 15.175 2.458 0.351 748 HH11 ARG 94 1HH1 ARG 94 15.805 2.390 3.774 749 HH12 ARG 94 2HH1 ARG 94 17.500 2.704 3.600 750 HH21 ARG 94 1HH2 ARG 94 17.405 2.872 0.109 751 HH22 ARG 94 2HH2 ARG 94 18.409 2.979 1.515 752 H LEU 95 H LEU 95 11.540 -0.965 -1.440 753 HA LEU 95 HA LEU 95 10.426 -3.207 -0.227 754 HB2 LEU 95 1HB LEU 95 10.795 -2.925 -3.195 755 HB3 LEU 95 2HB LEU 95 9.498 -3.749 -2.332 756 HG LEU 95 HG LEU 95 9.929 -0.777 -2.585 757 HD11 LEU 95 1HD1 LEU 95 7.591 -0.969 -3.547 758 HD12 LEU 95 2HD1 LEU 95 7.876 -2.707 -3.627 759 HD13 LEU 95 3HD1 LEU 95 8.907 -1.602 -4.536 760 HD21 LEU 95 3HD2 LEU 95 7.719 -0.700 -1.321 761 HD22 LEU 95 1HD2 LEU 95 9.170 -1.045 -0.380 762 HD23 LEU 95 2HD2 LEU 95 8.075 -2.354 -0.824 763 H ALA 96 H ALA 96 13.450 -2.821 -1.857 764 HA ALA 96 HA ALA 96 13.876 -5.732 -1.833 765 HB1 ALA 96 1HB ALA 96 16.019 -4.599 -3.174 766 HB2 ALA 96 2HB ALA 96 14.618 -5.384 -3.903 767 HB3 ALA 96 3HB ALA 96 14.633 -3.635 -3.681 768 H ASP 97 H ASP 97 14.194 -3.474 0.302 769 HA ASP 97 HA ASP 97 16.901 -4.280 1.145 770 HB2 ASP 97 1HB ASP 97 15.830 -1.664 0.770 771 HB3 ASP 97 2HB ASP 97 16.117 -1.896 2.493 772 H GLU 98 H GLU 98 16.941 -3.451 3.707 773 HA GLU 98 HA GLU 98 14.980 -5.230 4.948 774 HB2 GLU 98 1HB GLU 98 17.483 -3.985 6.099 775 HB3 GLU 98 2HB GLU 98 16.456 -5.158 6.911 776 HG2 GLU 98 1HG GLU 98 17.157 -6.900 5.581 777 HG3 GLU 98 2HG GLU 98 17.656 -5.835 4.268 778 H ILE 99 H ILE 99 14.573 -4.445 7.385 779 HA ILE 99 HA ILE 99 13.566 -1.681 7.190 780 HB ILE 99 HB ILE 99 12.018 -2.810 9.137 781 HG12 ILE 99 1HG1 ILE 99 11.161 -4.935 8.091 782 HG13 ILE 99 2HG1 ILE 99 12.556 -4.898 7.018 783 HG21 ILE 99 1HG2 ILE 99 10.599 -1.764 7.787 784 HG22 ILE 99 2HG2 ILE 99 11.725 -1.875 6.436 785 HG23 ILE 99 3HG2 ILE 99 10.600 -3.195 6.757 786 HD11 ILE 99 3HD1 ILE 99 13.334 -4.636 9.787 787 HD12 ILE 99 1HD1 ILE 99 12.401 -6.104 9.498 788 HD13 ILE 99 2HD1 ILE 99 13.865 -5.792 8.565 789 H ASN 100 H ASN 100 12.973 -0.903 9.555 790 HA ASN 100 HA ASN 100 15.341 -1.422 11.231 791 HB2 ASN 100 1HB ASN 100 13.760 1.130 10.862 792 HB3 ASN 100 2HB ASN 100 15.008 0.914 12.085 793 HD21 ASN 100 1HD2 ASN 100 16.906 -0.484 10.709 794 HD22 ASN 100 2HD2 ASN 100 17.538 0.493 9.431 795 HA PRO 101 HA PRO 101 11.814 -2.884 13.754 796 HB2 PRO 101 1HB PRO 101 13.279 -4.735 15.095 797 HB3 PRO 101 2HB PRO 101 12.569 -5.040 13.505 798 HG2 PRO 101 1HG PRO 101 15.377 -4.277 14.212 799 HG3 PRO 101 2HG PRO 101 14.805 -5.481 13.042 800 HD2 PRO 101 1HD PRO 101 15.644 -3.016 12.302 801 HD3 PRO 101 2HD PRO 101 14.372 -3.894 11.428 802 H GLY 102 H GLY 102 11.562 -1.088 15.056 803 HA2 GLY 102 1HA GLY 102 11.669 -0.583 17.448 804 HA3 GLY 102 2HA GLY 102 13.386 -0.951 17.376 805 H GLU 103 H GLU 103 12.476 0.698 14.618 806 HA GLU 103 HA GLU 103 13.203 3.291 15.814 807 HB2 GLU 103 1HB GLU 103 15.046 2.231 14.473 808 HB3 GLU 103 2HB GLU 103 14.006 2.347 13.060 809 HG2 GLU 103 1HG GLU 103 14.265 4.592 12.875 810 HG3 GLU 103 2HG GLU 103 14.469 4.825 14.610 811 H THR 104 H THR 104 12.531 5.172 14.484 812 HA THR 104 HA THR 104 9.881 4.664 13.317 813 HB THR 104 HB THR 104 11.026 7.225 14.448 814 HG1 THR 104 1HG THR 104 8.860 5.685 15.450 815 HG21 THR 104 3HG2 THR 104 8.709 6.685 12.763 816 HG22 THR 104 1HG2 THR 104 9.473 8.220 13.174 817 HG23 THR 104 2HG2 THR 104 8.289 7.503 14.268 818 H ILE 105 H ILE 105 10.011 4.478 11.169 819 HA ILE 105 HA ILE 105 11.293 6.648 9.679 820 HB ILE 105 HB ILE 105 12.357 5.161 8.117 821 HG12 ILE 105 1HG1 ILE 105 12.255 2.625 9.309 822 HG13 ILE 105 2HG1 ILE 105 10.595 3.209 9.330 823 HG21 ILE 105 1HG2 ILE 105 14.171 4.581 9.399 824 HG22 ILE 105 2HG2 ILE 105 13.354 5.713 10.474 825 HG23 ILE 105 3HG2 ILE 105 13.179 3.976 10.725 826 HD11 ILE 105 3HD1 ILE 105 10.363 2.937 7.135 827 HD12 ILE 105 1HD1 ILE 105 11.936 3.653 6.786 828 HD13 ILE 105 2HD1 ILE 105 11.822 1.953 7.239 829 H GLN 106 H GLN 106 10.851 5.879 7.138 830 HA GLN 106 HA GLN 106 8.060 5.054 6.906 831 HB2 GLN 106 1HB GLN 106 8.996 7.562 5.529 832 HB3 GLN 106 2HB GLN 106 7.350 6.973 5.723 833 HG2 GLN 106 1HG GLN 106 7.586 7.355 8.177 834 HG3 GLN 106 2HG GLN 106 9.137 8.125 7.848 835 HE21 GLN 106 1HE2 GLN 106 8.189 10.001 8.845 836 HE22 GLN 106 2HE2 GLN 106 7.172 11.044 7.916 837 H GLY 107 H GLY 107 7.625 5.552 4.263 838 HA2 GLY 107 1HA GLY 107 9.737 4.955 2.512 839 HA3 GLY 107 2HA GLY 107 8.984 3.444 3.000 840 H ALA 108 H ALA 108 8.719 3.553 0.525 841 HA ALA 108 HA ALA 108 6.011 4.557 0.009 842 HB1 ALA 108 1HB ALA 108 6.544 5.694 -1.910 843 HB2 ALA 108 2HB ALA 108 7.976 6.017 -0.931 844 HB3 ALA 108 3HB ALA 108 8.023 4.771 -2.178 845 H TYR 109 H TYR 109 5.028 3.547 -1.934 846 HA TYR 109 HA TYR 109 6.189 1.155 -2.998 847 HB2 TYR 109 1HB TYR 109 5.175 0.672 -0.595 848 HB3 TYR 109 2HB TYR 109 3.666 0.610 -1.498 849 HD1 TYR 109 1HD TYR 109 4.761 -0.584 -4.054 850 HD2 TYR 109 2HD TYR 109 5.380 -1.596 0.032 851 HE1 TYR 109 1HE TYR 109 5.245 -2.905 -4.709 852 HE2 TYR 109 2HE TYR 109 5.867 -3.919 -0.611 853 HH TYR 109 HH TYR 109 6.249 -4.865 -3.937 854 HA PRO 110 HA PRO 110 3.135 3.197 -5.751 855 HB2 PRO 110 1HB PRO 110 4.588 2.787 -8.007 856 HB3 PRO 110 2HB PRO 110 4.856 4.161 -6.927 857 HG2 PRO 110 1HG PRO 110 6.354 1.576 -7.110 858 HG3 PRO 110 2HG PRO 110 6.984 3.223 -6.925 859 HD2 PRO 110 1HD PRO 110 6.757 1.508 -4.842 860 HD3 PRO 110 2HD PRO 110 6.566 3.264 -4.659 861 H TYR 111 H TYR 111 1.762 2.301 -7.336 862 HA TYR 111 HA TYR 111 2.022 -0.606 -7.730 863 HB2 TYR 111 1HB TYR 111 -0.440 0.979 -7.003 864 HB3 TYR 111 2HB TYR 111 -0.520 -0.650 -7.664 865 HD1 TYR 111 2HD TYR 111 1.109 1.250 -4.891 866 HD2 TYR 111 1HD TYR 111 -0.554 -2.441 -6.199 867 HE1 TYR 111 2HE TYR 111 1.395 0.327 -2.630 868 HE2 TYR 111 1HE TYR 111 -0.274 -3.375 -3.941 869 HH TYR 111 HH TYR 111 0.155 -2.856 -1.774 870 H GLU 112 H GLU 112 0.202 -1.239 -9.466 871 HA GLU 112 HA GLU 112 1.054 -0.007 -11.891 872 HB2 GLU 112 1HB GLU 112 -0.589 -2.309 -11.109 873 HB3 GLU 112 2HB GLU 112 -1.122 -1.527 -12.591 874 HG2 GLU 112 1HG GLU 112 1.219 -1.727 -13.441 875 HG3 GLU 112 2HG GLU 112 1.586 -2.699 -12.017 876 H PHE 113 H PHE 113 0.333 1.865 -12.635 877 HA PHE 113 HA PHE 113 -2.327 2.801 -11.859 878 HB2 PHE 113 1HB PHE 113 0.078 4.108 -11.962 879 HB3 PHE 113 2HB PHE 113 -0.654 4.586 -13.490 880 HD1 PHE 113 1HD PHE 113 -1.930 4.064 -10.019 881 HD2 PHE 113 2HD PHE 113 -1.604 6.663 -13.374 882 HE1 PHE 113 1HE PHE 113 -3.277 5.752 -8.838 883 HE2 PHE 113 2HE PHE 113 -2.949 8.355 -12.198 884 HZ PHE 113 HZ PHE 113 -3.787 7.901 -9.928 885 H ILE 114 H ILE 114 -1.219 0.920 -14.198 886 HA ILE 114 HA ILE 114 -1.807 1.902 -16.665 887 HB ILE 114 HB ILE 114 -2.608 -0.822 -15.633 888 HG12 ILE 114 1HG1 ILE 114 -0.181 -0.335 -17.295 889 HG13 ILE 114 2HG1 ILE 114 -0.118 0.120 -15.596 890 HG21 ILE 114 1HG2 ILE 114 -2.354 -1.456 -18.059 891 HG22 ILE 114 2HG2 ILE 114 -3.757 -0.462 -17.672 892 HG23 ILE 114 3HG2 ILE 114 -2.339 0.269 -18.423 893 HD11 ILE 114 3HD1 ILE 114 -0.122 -2.529 -16.846 894 HD12 ILE 114 1HD1 ILE 114 0.576 -1.988 -15.320 895 HD13 ILE 114 2HD1 ILE 114 -1.142 -2.374 -15.416 896 H ASN 115 H ASN 115 -4.099 0.956 -14.171 897 HA ASN 115 HA ASN 115 -6.361 1.494 -15.928 898 HB2 ASN 115 1HB ASN 115 -6.055 0.306 -13.190 899 HB3 ASN 115 2HB ASN 115 -7.625 0.907 -13.715 900 HD21 ASN 115 1HD2 ASN 115 -8.203 0.132 -16.009 901 HD22 ASN 115 2HD2 ASN 115 -7.959 -1.553 -16.302 902 H GLU 116 H GLU 116 -4.833 3.743 -15.529 903 HA GLU 116 HA GLU 116 -5.497 5.379 -13.378 904 HB2 GLU 116 1HB GLU 116 -5.033 7.278 -15.012 905 HB3 GLU 116 2HB GLU 116 -3.744 6.106 -14.776 906 HG2 GLU 116 1HG GLU 116 -3.723 5.586 -16.927 907 HG3 GLU 116 2HG GLU 116 -5.462 5.302 -16.938 908 H ASN 117 H ASN 117 -7.338 4.496 -16.185 909 HA ASN 117 HA ASN 117 -9.244 6.615 -16.022 910 HB2 ASN 117 1HB ASN 117 -10.618 5.012 -17.486 911 HB3 ASN 117 2HB ASN 117 -9.084 5.586 -18.135 912 HD21 ASN 117 1HD2 ASN 117 -7.262 4.165 -18.046 913 HD22 ASN 117 2HD2 ASN 117 -7.500 2.453 -18.046 914 H LYS 118 H LYS 118 -8.790 3.647 -14.354 915 HA LYS 118 HA LYS 118 -11.539 3.689 -13.326 916 HB2 LYS 118 1HB LYS 118 -9.409 1.580 -12.939 917 HB3 LYS 118 2HB LYS 118 -11.104 1.452 -12.489 918 HG2 LYS 118 1HG LYS 118 -10.026 1.678 -15.292 919 HG3 LYS 118 2HG LYS 118 -10.646 0.214 -14.525 920 HD2 LYS 118 1HD LYS 118 -12.799 1.616 -14.165 921 HD3 LYS 118 2HD LYS 118 -12.130 2.655 -15.426 922 HE2 LYS 118 1HE LYS 118 -11.972 0.704 -16.917 923 HE3 LYS 118 2HE LYS 118 -12.687 -0.302 -15.659 924 HZ1 LYS 118 3HZ LYS 118 -14.707 0.933 -15.793 925 HZ2 LYS 118 1HZ LYS 118 -14.284 0.472 -17.364 926 HZ3 LYS 118 2HZ LYS 118 -14.026 2.063 -16.852 927 HA PRO 119 HA PRO 119 -10.349 5.346 -9.437 928 HB2 PRO 119 1HB PRO 119 -12.136 4.127 -7.796 929 HB3 PRO 119 2HB PRO 119 -12.587 5.413 -8.922 930 HG2 PRO 119 1HG PRO 119 -12.878 2.448 -9.218 931 HG3 PRO 119 2HG PRO 119 -14.031 3.732 -9.627 932 HD2 PRO 119 1HD PRO 119 -12.486 2.514 -11.488 933 HD3 PRO 119 2HD PRO 119 -12.979 4.214 -11.621 934 H VAL 120 H VAL 120 -9.660 4.733 -7.220 935 HA VAL 120 HA VAL 120 -8.525 2.015 -7.125 936 HB VAL 120 HB VAL 120 -7.154 4.482 -6.054 937 HG11 VAL 120 1HG1 VAL 120 -5.184 2.798 -6.191 938 HG12 VAL 120 2HG1 VAL 120 -6.323 2.690 -4.847 939 HG13 VAL 120 3HG1 VAL 120 -6.457 1.578 -6.210 940 HG21 VAL 120 3HG2 VAL 120 -6.915 4.882 -8.293 941 HG22 VAL 120 1HG2 VAL 120 -5.547 3.799 -8.037 942 HG23 VAL 120 2HG2 VAL 120 -7.047 3.178 -8.726 943 H HIS 121 H HIS 121 -9.931 1.112 -5.696 944 HA HIS 121 HA HIS 121 -10.849 2.479 -3.352 945 HB2 HIS 121 1HB HIS 121 -11.714 0.151 -2.751 946 HB3 HIS 121 2HB HIS 121 -12.345 0.874 -4.228 947 HD1 HIS 121 1HD HIS 121 -8.945 -0.651 -4.283 948 HD2 HIS 121 2HD HIS 121 -12.838 -1.677 -5.309 949 HE1 HIS 121 1HE HIS 121 -8.747 -2.742 -5.666 950 H PHE 122 H PHE 122 -8.535 2.999 -2.734 951 HA PHE 122 HA PHE 122 -6.678 1.170 -1.843 952 HB2 PHE 122 1HB PHE 122 -7.358 3.897 -0.731 953 HB3 PHE 122 2HB PHE 122 -5.935 2.975 -0.257 954 HD1 PHE 122 1HD PHE 122 -4.417 2.179 -2.243 955 HD2 PHE 122 2HD PHE 122 -7.179 5.411 -2.450 956 HE1 PHE 122 1HE PHE 122 -3.174 3.115 -4.149 957 HE2 PHE 122 2HE PHE 122 -5.942 6.351 -4.357 958 HZ PHE 122 HZ PHE 122 -3.937 5.202 -5.210 959 H LYS 123 H LYS 123 -6.611 -0.283 -0.264 960 HA LYS 123 HA LYS 123 -8.390 0.052 2.053 961 HB2 LYS 123 1HB LYS 123 -7.928 -2.524 0.539 962 HB3 LYS 123 2HB LYS 123 -8.858 -2.367 2.023 963 HG2 LYS 123 1HG LYS 123 -10.677 -1.710 0.928 964 HG3 LYS 123 2HG LYS 123 -9.771 -0.545 -0.040 965 HD2 LYS 123 1HD LYS 123 -9.160 -2.216 -1.623 966 HD3 LYS 123 2HD LYS 123 -9.765 -3.508 -0.584 967 HE2 LYS 123 1HE LYS 123 -11.650 -1.370 -1.440 968 HE3 LYS 123 2HE LYS 123 -11.177 -2.593 -2.619 969 HZ1 LYS 123 3HZ LYS 123 -12.764 -3.843 -1.726 970 HZ2 LYS 123 1HZ LYS 123 -12.963 -2.810 -0.401 971 HZ3 LYS 123 2HZ LYS 123 -11.776 -4.014 -0.364 972 H PHE 124 H PHE 124 -7.758 -1.753 3.746 973 HA PHE 124 HA PHE 124 -4.901 -2.274 3.806 974 HB2 PHE 124 1HB PHE 124 -6.255 -0.597 5.931 975 HB3 PHE 124 2HB PHE 124 -4.604 -1.204 6.011 976 HD1 PHE 124 2HD PHE 124 -6.851 1.208 4.425 977 HD2 PHE 124 1HD PHE 124 -2.848 -0.216 4.693 978 HE1 PHE 124 2HE PHE 124 -6.059 3.225 3.261 979 HE2 PHE 124 1HE PHE 124 -2.050 1.800 3.530 980 HZ PHE 124 HZ PHE 124 -3.656 3.523 2.811 981 H ARG 125 H ARG 125 -4.334 -3.448 5.925 982 HA ARG 125 HA ARG 125 -6.334 -4.757 7.413 983 HB2 ARG 125 1HB ARG 125 -6.590 -5.814 5.091 984 HB3 ARG 125 2HB ARG 125 -5.039 -6.583 5.400 985 HG2 ARG 125 1HG ARG 125 -6.135 -8.225 6.398 986 HG3 ARG 125 2HG ARG 125 -6.573 -7.088 7.674 987 HD2 ARG 125 1HD ARG 125 -8.543 -6.422 6.275 988 HD3 ARG 125 2HD ARG 125 -8.141 -7.751 5.189 989 HE ARG 125 HE ARG 125 -9.117 -9.174 6.675 990 HH11 ARG 125 1HH1 ARG 125 -8.242 -6.252 8.354 991 HH12 ARG 125 2HH1 ARG 125 -8.976 -6.735 9.847 992 HH21 ARG 125 1HH2 ARG 125 -10.087 -9.821 8.636 993 HH22 ARG 125 2HH2 ARG 125 -10.025 -8.766 10.007 994 H ASP 126 H ASP 126 -5.477 -6.172 8.993 995 HA ASP 126 HA ASP 126 -2.813 -5.564 9.772 996 HB2 ASP 126 1HB ASP 126 -4.345 -5.946 11.532 997 HB3 ASP 126 2HB ASP 126 -4.898 -7.464 10.830 998 H ARG 127 H ARG 127 -4.320 -8.688 8.923 999 HA ARG 127 HA ARG 127 -1.836 -9.494 7.620 1000 HB2 ARG 127 1HB ARG 127 -3.043 -10.819 10.021 1001 HB3 ARG 127 2HB ARG 127 -2.194 -11.791 8.827 1002 HG2 ARG 127 1HG ARG 127 -0.870 -9.367 9.948 1003 HG3 ARG 127 2HG ARG 127 -0.936 -10.849 10.903 1004 HD2 ARG 127 1HD ARG 127 0.854 -11.554 9.788 1005 HD3 ARG 127 2HD ARG 127 -0.159 -11.659 8.349 1006 HE ARG 127 HE ARG 127 0.572 -9.072 8.353 1007 HH11 ARG 127 1HH1 ARG 127 2.387 -12.025 8.682 1008 HH12 ARG 127 2HH1 ARG 127 3.821 -11.377 7.957 1009 HH21 ARG 127 1HH2 ARG 127 2.454 -8.208 7.397 1010 HH22 ARG 127 2HH2 ARG 127 3.859 -9.206 7.227 1011 H LEU 128 H LEU 128 -3.918 -8.829 6.163 1012 HA LEU 128 HA LEU 128 -5.452 -9.506 4.622 1013 HB2 LEU 128 1HB LEU 128 -4.205 -12.227 4.782 1014 HB3 LEU 128 2HB LEU 128 -4.906 -11.416 3.383 1015 HG LEU 128 HG LEU 128 -2.314 -10.633 4.715 1016 HD11 LEU 128 1HD1 LEU 128 -1.486 -11.481 2.384 1017 HD12 LEU 128 2HD1 LEU 128 -2.957 -12.451 2.443 1018 HD13 LEU 128 3HD1 LEU 128 -1.742 -12.615 3.711 1019 HD21 LEU 128 3HD2 LEU 128 -2.422 -9.652 2.119 1020 HD22 LEU 128 1HD2 LEU 128 -2.603 -8.725 3.609 1021 HD23 LEU 128 2HD2 LEU 128 -4.030 -9.344 2.776 1022 H LEU 129 H LEU 129 -6.814 -11.785 4.096 1023 HA LEU 129 HA LEU 129 -8.612 -13.025 4.729 1024 HB2 LEU 129 1HB LEU 129 -6.706 -13.276 6.917 1025 HB3 LEU 129 2HB LEU 129 -8.376 -13.498 7.433 1026 HG LEU 129 HG LEU 129 -7.213 -15.614 6.885 1027 HD11 LEU 129 1HD1 LEU 129 -9.579 -15.644 6.779 1028 HD12 LEU 129 2HD1 LEU 129 -8.998 -16.466 5.331 1029 HD13 LEU 129 3HD1 LEU 129 -9.590 -14.808 5.226 1030 HD21 LEU 129 3HD2 LEU 129 -6.312 -16.089 4.850 1031 HD22 LEU 129 1HD2 LEU 129 -6.035 -14.347 4.873 1032 HD23 LEU 129 2HD2 LEU 129 -7.408 -15.010 3.986 1033 H SER 130 H SER 130 -10.338 -11.712 4.561 1034 HA SER 130 HA SER 130 -11.085 -10.163 6.954 1035 HB2 SER 130 1HB SER 130 -12.395 -8.889 4.900 1036 HB3 SER 130 2HB SER 130 -10.882 -8.347 5.627 1037 HG SER 130 HG SER 130 -11.311 -9.135 3.131 1038 H LEU 131 H LEU 131 -12.210 -11.978 4.144 1039 HA LEU 131 HA LEU 131 -14.039 -13.306 3.849 1040 HB2 LEU 131 1HB LEU 131 -14.960 -12.768 6.639 1041 HB3 LEU 131 2HB LEU 131 -15.132 -14.230 5.670 1042 HG LEU 131 HG LEU 131 -12.686 -13.254 7.128 1043 HD11 LEU 131 1HD1 LEU 131 -12.886 -15.605 8.070 1044 HD12 LEU 131 2HD1 LEU 131 -14.501 -15.635 7.364 1045 HD13 LEU 131 3HD1 LEU 131 -14.097 -14.432 8.589 1046 HD21 LEU 131 3HD2 LEU 131 -12.896 -14.927 4.747 1047 HD22 LEU 131 1HD2 LEU 131 -12.044 -15.704 6.082 1048 HD23 LEU 131 2HD2 LEU 131 -11.487 -14.147 5.467 1049 H ASP 132 H ASP 132 -15.187 -10.898 6.216 1050 HA ASP 132 HA ASP 132 -17.475 -10.320 4.529 1051 HB2 ASP 132 1HB ASP 132 -18.178 -10.338 6.722 1052 HB3 ASP 132 2HB ASP 132 -16.665 -9.669 7.325 1053 H GLU 133 H GLU 133 -14.693 -8.559 5.867 1054 HA GLU 133 HA GLU 133 -14.268 -6.997 3.590 1055 HB2 GLU 133 1HB GLU 133 -14.997 -4.764 4.628 1056 HB3 GLU 133 2HB GLU 133 -16.245 -5.788 3.930 1057 HG2 GLU 133 1HG GLU 133 -17.315 -5.949 5.863 1058 HG3 GLU 133 2HG GLU 133 -15.840 -6.388 6.723 1059 HA PRO 134 HA PRO 134 -10.541 -6.140 5.741 1060 HB2 PRO 134 1HB PRO 134 -9.794 -3.778 4.632 1061 HB3 PRO 134 2HB PRO 134 -9.717 -5.314 3.762 1062 HG2 PRO 134 1HG PRO 134 -11.802 -3.169 3.637 1063 HG3 PRO 134 2HG PRO 134 -11.070 -4.096 2.314 1064 HD2 PRO 134 1HD PRO 134 -13.513 -4.680 3.325 1065 HD3 PRO 134 2HD PRO 134 -12.425 -5.925 2.679 1066 H ILE 135 H ILE 135 -9.361 -4.276 6.915 1067 HA ILE 135 HA ILE 135 -11.146 -3.277 8.930 1068 HB ILE 135 HB ILE 135 -8.849 -4.110 9.435 1069 HG12 ILE 135 1HG1 ILE 135 -8.977 -1.244 10.297 1070 HG13 ILE 135 2HG1 ILE 135 -10.256 -2.349 10.787 1071 HG21 ILE 135 1HG2 ILE 135 -7.777 -3.049 7.453 1072 HG22 ILE 135 2HG2 ILE 135 -7.927 -1.491 8.265 1073 HG23 ILE 135 3HG2 ILE 135 -6.925 -2.760 8.969 1074 HD11 ILE 135 3HD1 ILE 135 -8.476 -2.100 12.468 1075 HD12 ILE 135 1HD1 ILE 135 -8.668 -3.761 11.907 1076 HD13 ILE 135 2HD1 ILE 135 -7.327 -2.779 11.316 1077 H ALA 136 H ALA 136 -9.496 -1.977 6.147 1078 HA ALA 136 HA ALA 136 -10.919 0.552 6.535 1079 HB1 ALA 136 1HB ALA 136 -8.655 0.890 7.426 1080 HB2 ALA 136 2HB ALA 136 -7.981 0.412 5.868 1081 HB3 ALA 136 3HB ALA 136 -8.957 1.875 5.994 1082 H SER 137 H SER 137 -11.233 1.764 4.594 1083 HA SER 137 HA SER 137 -10.332 0.938 2.056 1084 HB2 SER 137 1HB SER 137 -12.269 -0.140 1.138 1085 HB3 SER 137 2HB SER 137 -11.857 -0.992 2.626 1086 HG SER 137 HG SER 137 -13.475 0.350 3.660 1087 H GLU 138 H GLU 138 -11.016 2.317 0.405 1088 HA GLU 138 HA GLU 138 -13.177 4.093 0.549 1089 HB2 GLU 138 1HB GLU 138 -12.074 5.190 2.366 1090 HB3 GLU 138 2HB GLU 138 -10.539 5.197 1.508 1091 HG2 GLU 138 1HG GLU 138 -11.362 6.803 -0.070 1092 HG3 GLU 138 2HG GLU 138 -12.982 6.709 0.618 1093 H GLU 139 H GLU 139 -13.544 4.878 -1.437 1094 HA GLU 139 HA GLU 139 -11.653 4.288 -3.527 1095 HB2 GLU 139 1HB GLU 139 -14.486 5.075 -3.352 1096 HB3 GLU 139 2HB GLU 139 -13.636 5.697 -4.759 1097 HG2 GLU 139 1HG GLU 139 -12.874 3.041 -4.638 1098 HG3 GLU 139 2HG GLU 139 -14.580 3.023 -4.195 1099 H ILE 140 H ILE 140 -10.511 5.711 -4.779 1100 HA ILE 140 HA ILE 140 -10.793 8.574 -4.321 1101 HB ILE 140 HB ILE 140 -8.183 7.127 -3.859 1102 HG12 ILE 140 1HG1 ILE 140 -9.927 8.745 -1.989 1103 HG13 ILE 140 2HG1 ILE 140 -9.730 6.996 -1.956 1104 HG21 ILE 140 1HG2 ILE 140 -7.270 9.358 -3.373 1105 HG22 ILE 140 2HG2 ILE 140 -7.813 9.207 -5.044 1106 HG23 ILE 140 3HG2 ILE 140 -8.802 10.077 -3.871 1107 HD11 ILE 140 3HD1 ILE 140 -8.366 7.820 -0.243 1108 HD12 ILE 140 1HD1 ILE 140 -7.265 7.435 -1.565 1109 HD13 ILE 140 2HD1 ILE 140 -7.724 9.110 -1.259 1110 H THR 141 H THR 141 -10.381 9.750 -6.105 1111 HA THR 141 HA THR 141 -9.456 8.297 -8.479 1112 HB THR 141 HB THR 141 -10.606 11.051 -8.642 1113 HG1 THR 141 1HG THR 141 -12.484 10.403 -7.932 1114 HG21 THR 141 3HG2 THR 141 -9.952 10.240 -10.729 1115 HG22 THR 141 1HG2 THR 141 -11.676 9.877 -10.680 1116 HG23 THR 141 2HG2 THR 141 -10.498 8.602 -10.371 1117 H ILE 142 H ILE 142 -7.222 8.412 -8.088 1118 HA ILE 142 HA ILE 142 -5.977 11.023 -7.807 1119 HB ILE 142 HB ILE 142 -4.563 8.385 -8.152 1120 HG12 ILE 142 1HG1 ILE 142 -5.497 9.686 -5.584 1121 HG13 ILE 142 2HG1 ILE 142 -6.151 8.208 -6.283 1122 HG21 ILE 142 1HG2 ILE 142 -3.677 11.045 -7.941 1123 HG22 ILE 142 2HG2 ILE 142 -3.293 10.264 -6.408 1124 HG23 ILE 142 3HG2 ILE 142 -2.705 9.575 -7.921 1125 HD11 ILE 142 3HD1 ILE 142 -3.305 8.550 -5.374 1126 HD12 ILE 142 1HD1 ILE 142 -4.590 7.821 -4.412 1127 HD13 ILE 142 2HD1 ILE 142 -4.077 7.061 -5.919 1128 H THR 143 H THR 143 -5.194 12.191 -9.432 1129 HA THR 143 HA THR 143 -4.071 11.045 -11.792 1130 HB THR 143 HB THR 143 -6.292 10.719 -12.555 1131 HG1 THR 143 1HG THR 143 -4.697 12.141 -13.858 1132 HG21 THR 143 3HG2 THR 143 -6.846 13.050 -10.957 1133 HG22 THR 143 1HG2 THR 143 -7.962 11.842 -11.593 1134 HG23 THR 143 2HG2 THR 143 -7.520 13.238 -12.575 Start of MODEL 7 1 H1 MET 1 H MET 1 -18.019 -19.211 13.387 2 HA MET 1 HA MET 1 -17.991 -17.787 10.931 3 HB2 MET 1 1HB MET 1 -20.263 -18.804 10.819 4 HB3 MET 1 2HB MET 1 -20.676 -17.964 12.307 5 HG2 MET 1 1HG MET 1 -20.549 -15.854 11.273 6 HG3 MET 1 2HG MET 1 -19.743 -16.516 9.852 7 HE1 MET 1 3HE MET 1 -23.954 -16.636 11.254 8 HE2 MET 1 1HE MET 1 -23.497 -18.333 11.100 9 HE3 MET 1 2HE MET 1 -22.543 -17.252 12.116 10 H ASP 2 H ASP 2 -16.383 -16.777 12.294 11 HA ASP 2 HA ASP 2 -17.153 -15.380 14.668 12 HB2 ASP 2 1HB ASP 2 -14.678 -15.495 12.982 13 HB3 ASP 2 2HB ASP 2 -14.845 -14.232 14.198 14 H GLU 3 H GLU 3 -18.450 -13.670 14.623 15 HA GLU 3 HA GLU 3 -18.015 -11.648 12.526 16 HB2 GLU 3 1HB GLU 3 -20.470 -11.147 12.700 17 HB3 GLU 3 2HB GLU 3 -20.086 -12.711 11.993 18 HG2 GLU 3 1HG GLU 3 -21.234 -13.785 13.550 19 HG3 GLU 3 2HG GLU 3 -20.409 -12.923 14.847 20 H VAL 4 H VAL 4 -16.974 -10.060 13.565 21 HA VAL 4 HA VAL 4 -18.173 -9.048 16.061 22 HB VAL 4 HB VAL 4 -15.635 -8.161 16.287 23 HG11 VAL 4 1HG1 VAL 4 -17.261 -9.714 17.736 24 HG12 VAL 4 2HG1 VAL 4 -16.053 -10.916 17.278 25 HG13 VAL 4 3HG1 VAL 4 -15.565 -9.458 18.143 26 HG21 VAL 4 3HG2 VAL 4 -15.093 -9.526 14.197 27 HG22 VAL 4 1HG2 VAL 4 -14.037 -9.734 15.595 28 HG23 VAL 4 2HG2 VAL 4 -15.263 -10.948 15.227 29 H LEU 5 H LEU 5 -19.368 -7.436 15.086 30 HA LEU 5 HA LEU 5 -19.830 -5.473 14.018 31 HB2 LEU 5 1HB LEU 5 -17.181 -4.961 15.326 32 HB3 LEU 5 2HB LEU 5 -18.007 -3.702 14.412 33 HG LEU 5 HG LEU 5 -19.158 -5.113 16.818 34 HD11 LEU 5 1HD1 LEU 5 -18.795 -2.808 17.851 35 HD12 LEU 5 2HD1 LEU 5 -17.664 -2.527 16.528 36 HD13 LEU 5 3HD1 LEU 5 -17.382 -3.846 17.663 37 HD21 LEU 5 3HD2 LEU 5 -20.122 -2.945 14.996 38 HD22 LEU 5 1HD2 LEU 5 -20.636 -2.983 16.683 39 HD23 LEU 5 2HD2 LEU 5 -20.986 -4.350 15.624 40 H ALA 6 H ALA 6 -18.347 -3.606 12.683 41 HA ALA 6 HA ALA 6 -17.890 -4.910 10.183 42 HB1 ALA 6 1HB ALA 6 -17.137 -2.069 10.790 43 HB2 ALA 6 2HB ALA 6 -17.665 -2.772 9.261 44 HB3 ALA 6 3HB ALA 6 -18.818 -2.560 10.578 45 H THR 7 H THR 7 -16.174 -6.267 11.511 46 HA THR 7 HA THR 7 -14.002 -6.963 11.526 47 HB THR 7 HB THR 7 -12.922 -4.603 10.101 48 HG1 THR 7 1HG THR 7 -13.858 -5.651 8.104 49 HG21 THR 7 3HG2 THR 7 -12.594 -7.566 10.104 50 HG22 THR 7 1HG2 THR 7 -11.373 -6.298 10.207 51 HG23 THR 7 2HG2 THR 7 -12.133 -6.666 8.659 52 H SER 8 H SER 8 -14.317 -6.297 13.832 53 HA SER 8 HA SER 8 -13.119 -3.832 14.699 54 HB2 SER 8 1HB SER 8 -14.264 -6.230 16.105 55 HB3 SER 8 2HB SER 8 -13.365 -5.008 17.004 56 HG SER 8 HG SER 8 -15.103 -3.849 16.964 57 H ILE 9 H ILE 9 -11.007 -3.941 13.858 58 HA ILE 9 HA ILE 9 -9.193 -5.537 15.503 59 HB ILE 9 HB ILE 9 -9.049 -5.463 12.487 60 HG12 ILE 9 1HG1 ILE 9 -10.736 -7.027 13.447 61 HG13 ILE 9 2HG1 ILE 9 -9.440 -7.849 12.584 62 HG21 ILE 9 1HG2 ILE 9 -7.225 -7.320 13.500 63 HG22 ILE 9 2HG2 ILE 9 -6.864 -5.775 12.732 64 HG23 ILE 9 3HG2 ILE 9 -7.020 -5.873 14.486 65 HD11 ILE 9 3HD1 ILE 9 -10.133 -8.918 14.726 66 HD12 ILE 9 1HD1 ILE 9 -8.416 -8.529 14.615 67 HD13 ILE 9 2HD1 ILE 9 -9.493 -7.506 15.568 68 H GLY 10 H GLY 10 -8.767 -3.540 12.585 69 HA2 GLY 10 1HA GLY 10 -6.861 -1.895 14.105 70 HA3 GLY 10 2HA GLY 10 -6.914 -2.042 12.354 71 H THR 11 H THR 11 -6.785 0.346 12.529 72 HA THR 11 HA THR 11 -9.475 1.457 12.430 73 HB THR 11 HB THR 11 -8.306 3.522 13.706 74 HG1 THR 11 1HG THR 11 -7.208 2.516 15.551 75 HG21 THR 11 3HG2 THR 11 -10.476 2.528 14.254 76 HG22 THR 11 1HG2 THR 11 -9.526 2.818 15.710 77 HG23 THR 11 2HG2 THR 11 -9.663 1.185 15.057 78 H TYR 12 H TYR 12 -9.700 3.037 10.926 79 HA TYR 12 HA TYR 12 -7.248 4.065 9.660 80 HB2 TYR 12 1HB TYR 12 -8.095 2.443 8.135 81 HB3 TYR 12 2HB TYR 12 -9.748 3.014 8.337 82 HD1 TYR 12 1HD TYR 12 -6.677 5.029 7.750 83 HD2 TYR 12 2HD TYR 12 -10.369 3.627 6.166 84 HE1 TYR 12 1HE TYR 12 -6.398 6.509 5.805 85 HE2 TYR 12 2HE TYR 12 -10.099 5.102 4.216 86 HH TYR 12 HH TYR 12 -8.601 7.517 3.931 87 H GLU 13 H GLU 13 -7.272 6.082 10.539 88 HA GLU 13 HA GLU 13 -8.960 8.031 9.413 89 HB2 GLU 13 1HB GLU 13 -10.229 8.742 11.367 90 HB3 GLU 13 2HB GLU 13 -10.624 7.080 10.952 91 HG2 GLU 13 1HG GLU 13 -8.973 6.369 12.716 92 HG3 GLU 13 2HG GLU 13 -8.914 8.057 13.218 93 H ASN 14 H ASN 14 -8.683 10.203 10.614 94 HA ASN 14 HA ASN 14 -7.257 11.848 11.272 95 HB2 ASN 14 1HB ASN 14 -5.881 9.783 12.986 96 HB3 ASN 14 2HB ASN 14 -6.038 11.512 13.281 97 HD21 ASN 14 1HD2 ASN 14 -6.791 9.155 14.897 98 HD22 ASN 14 2HD2 ASN 14 -8.466 9.370 15.263 99 H ARG 15 H ARG 15 -6.577 10.375 8.927 100 HA ARG 15 HA ARG 15 -4.885 10.164 7.421 101 HB2 ARG 15 1HB ARG 15 -3.921 12.247 9.296 102 HB3 ARG 15 2HB ARG 15 -2.708 11.513 8.257 103 HG2 ARG 15 1HG ARG 15 -5.250 12.815 7.303 104 HG3 ARG 15 2HG ARG 15 -3.652 13.564 7.302 105 HD2 ARG 15 1HD ARG 15 -3.536 12.769 5.204 106 HD3 ARG 15 2HD ARG 15 -3.134 11.247 5.998 107 HE ARG 15 HE ARG 15 -5.830 11.177 5.889 108 HH11 ARG 15 1HH1 ARG 15 -3.366 11.777 3.503 109 HH12 ARG 15 2HH1 ARG 15 -4.296 11.130 2.191 110 HH21 ARG 15 1HH2 ARG 15 -7.063 10.324 4.170 111 HH22 ARG 15 2HH2 ARG 15 -6.399 10.305 2.572 112 H THR 16 H THR 16 -5.086 8.407 9.875 113 HA THR 16 HA THR 16 -2.423 7.188 9.603 114 HB THR 16 HB THR 16 -3.921 7.147 12.216 115 HG1 THR 16 1HG THR 16 -2.749 8.918 12.856 116 HG21 THR 16 3HG2 THR 16 -1.253 6.964 12.749 117 HG22 THR 16 1HG2 THR 16 -1.360 6.136 11.196 118 HG23 THR 16 2HG2 THR 16 -2.335 5.585 12.558 119 H LEU 17 H LEU 17 -2.373 4.886 10.064 120 HA LEU 17 HA LEU 17 -4.972 3.540 9.999 121 HB2 LEU 17 1HB LEU 17 -3.310 3.841 7.751 122 HB3 LEU 17 2HB LEU 17 -3.129 2.169 8.278 123 HG LEU 17 HG LEU 17 -5.894 3.209 8.024 124 HD11 LEU 17 1HD1 LEU 17 -5.732 2.513 5.545 125 HD12 LEU 17 2HD1 LEU 17 -4.011 2.850 5.725 126 HD13 LEU 17 3HD1 LEU 17 -5.194 4.127 6.013 127 HD21 LEU 17 3HD2 LEU 17 -6.334 0.962 7.307 128 HD22 LEU 17 1HD2 LEU 17 -5.322 0.901 8.750 129 HD23 LEU 17 2HD2 LEU 17 -4.610 0.621 7.162 130 H LEU 18 H LEU 18 -4.748 2.644 11.998 131 HA LEU 18 HA LEU 18 -2.326 1.437 12.907 132 HB2 LEU 18 1HB LEU 18 -3.856 2.373 14.502 133 HB3 LEU 18 2HB LEU 18 -5.153 1.322 13.938 134 HG LEU 18 HG LEU 18 -4.071 -0.608 14.886 135 HD11 LEU 18 1HD1 LEU 18 -1.991 0.167 16.427 136 HD12 LEU 18 2HD1 LEU 18 -1.771 1.217 15.028 137 HD13 LEU 18 3HD1 LEU 18 -1.827 -0.533 14.817 138 HD21 LEU 18 3HD2 LEU 18 -3.709 1.210 17.163 139 HD22 LEU 18 1HD2 LEU 18 -4.765 -0.191 16.981 140 HD23 LEU 18 2HD2 LEU 18 -5.250 1.370 16.319 141 H VAL 19 H VAL 19 -1.646 -0.617 12.755 142 HA VAL 19 HA VAL 19 -3.522 -2.701 11.920 143 HB VAL 19 HB VAL 19 -2.133 -3.515 10.153 144 HG11 VAL 19 1HG1 VAL 19 -3.692 -1.599 9.693 145 HG12 VAL 19 2HG1 VAL 19 -2.287 -0.533 9.765 146 HG13 VAL 19 3HG1 VAL 19 -2.378 -1.793 8.533 147 HG21 VAL 19 3HG2 VAL 19 0.057 -3.127 10.983 148 HG22 VAL 19 1HG2 VAL 19 -0.078 -2.222 9.475 149 HG23 VAL 19 2HG2 VAL 19 -0.193 -1.382 11.021 150 HA PRO 20 HA PRO 20 -1.347 -5.206 14.797 151 HB2 PRO 20 1HB PRO 20 -1.669 -7.663 13.689 152 HB3 PRO 20 2HB PRO 20 -2.986 -6.783 14.475 153 HG2 PRO 20 1HG PRO 20 -2.351 -7.038 11.560 154 HG3 PRO 20 2HG PRO 20 -3.924 -7.127 12.375 155 HD2 PRO 20 1HD PRO 20 -3.072 -4.900 11.092 156 HD3 PRO 20 2HD PRO 20 -4.117 -4.835 12.525 157 H ASP 21 H ASP 21 0.761 -5.515 15.113 158 HA ASP 21 HA ASP 21 2.931 -6.149 14.786 159 HB2 ASP 21 1HB ASP 21 1.519 -7.840 13.061 160 HB3 ASP 21 2HB ASP 21 2.795 -7.143 12.066 161 H GLY 22 H GLY 22 1.408 -3.744 13.450 162 HA2 GLY 22 1HA GLY 22 3.811 -2.526 12.424 163 HA3 GLY 22 2HA GLY 22 2.598 -2.821 11.187 164 H ARG 23 H ARG 23 2.825 -0.409 11.053 165 HA ARG 23 HA ARG 23 0.574 0.806 12.305 166 HB2 ARG 23 1HB ARG 23 1.997 1.067 14.206 167 HB3 ARG 23 2HB ARG 23 3.335 1.619 13.208 168 HG2 ARG 23 1HG ARG 23 2.572 3.734 13.117 169 HG3 ARG 23 2HG ARG 23 0.881 3.234 13.049 170 HD2 ARG 23 1HD ARG 23 0.642 3.270 15.299 171 HD3 ARG 23 2HD ARG 23 2.289 2.712 15.588 172 HE ARG 23 HE ARG 23 2.119 5.406 14.589 173 HH11 ARG 23 1HH1 ARG 23 2.106 3.382 17.421 174 HH12 ARG 23 2HH1 ARG 23 2.625 4.646 18.486 175 HH21 ARG 23 1HH2 ARG 23 2.801 7.079 15.981 176 HH22 ARG 23 2HH2 ARG 23 3.019 6.749 17.666 177 H LEU 24 H LEU 24 0.039 1.181 10.134 178 HA LEU 24 HA LEU 24 1.788 2.715 8.435 179 HB2 LEU 24 1HB LEU 24 -0.154 0.940 7.915 180 HB3 LEU 24 2HB LEU 24 -1.078 2.433 7.761 181 HG LEU 24 HG LEU 24 1.000 3.059 6.196 182 HD11 LEU 24 1HD1 LEU 24 0.682 0.121 5.671 183 HD12 LEU 24 2HD1 LEU 24 1.973 0.760 6.688 184 HD13 LEU 24 3HD1 LEU 24 1.865 1.241 4.995 185 HD21 LEU 24 3HD2 LEU 24 -1.022 1.308 4.921 186 HD22 LEU 24 1HD2 LEU 24 -0.487 2.931 4.485 187 HD23 LEU 24 2HD2 LEU 24 -1.612 2.703 5.825 188 H ALA 25 H ALA 25 1.262 4.788 7.535 189 HA ALA 25 HA ALA 25 -0.770 6.387 8.845 190 HB1 ALA 25 1HB ALA 25 1.881 7.670 8.958 191 HB2 ALA 25 2HB ALA 25 0.531 7.745 10.091 192 HB3 ALA 25 3HB ALA 25 1.611 6.351 10.098 193 H LEU 26 H LEU 26 -1.637 7.736 7.411 194 HA LEU 26 HA LEU 26 -0.487 7.980 4.787 195 HB2 LEU 26 1HB LEU 26 -2.939 9.259 5.986 196 HB3 LEU 26 2HB LEU 26 -2.497 9.301 4.281 197 HG LEU 26 HG LEU 26 -4.143 7.661 4.391 198 HD11 LEU 26 1HD1 LEU 26 -1.706 6.976 3.541 199 HD12 LEU 26 2HD1 LEU 26 -3.083 5.877 3.490 200 HD13 LEU 26 3HD1 LEU 26 -1.914 5.763 4.805 201 HD21 LEU 26 3HD2 LEU 26 -4.017 7.588 6.942 202 HD22 LEU 26 1HD2 LEU 26 -2.825 6.306 6.723 203 HD23 LEU 26 2HD2 LEU 26 -4.464 6.100 6.106 204 H THR 27 H THR 27 1.296 9.239 4.715 205 HA THR 27 HA THR 27 1.468 11.717 6.180 206 HB THR 27 HB THR 27 3.639 11.968 4.856 207 HG1 THR 27 1HG THR 27 4.254 9.699 4.095 208 HG21 THR 27 3HG2 THR 27 3.600 11.147 7.151 209 HG22 THR 27 1HG2 THR 27 4.800 10.267 6.205 210 HG23 THR 27 2HG2 THR 27 3.247 9.517 6.578 211 H ALA 28 H ALA 28 1.700 10.923 2.705 212 HA ALA 28 HA ALA 28 -0.152 12.787 1.804 213 HB1 ALA 28 1HB ALA 28 2.176 14.060 2.721 214 HB2 ALA 28 2HB ALA 28 2.237 14.124 0.959 215 HB3 ALA 28 3HB ALA 28 0.839 14.772 1.816 216 H LEU 29 H LEU 29 -0.644 11.306 0.253 217 HA LEU 29 HA LEU 29 1.206 9.889 -1.314 218 HB2 LEU 29 1HB LEU 29 -1.607 10.636 -2.088 219 HB3 LEU 29 2HB LEU 29 -0.656 9.287 -2.707 220 HG LEU 29 HG LEU 29 -1.193 9.337 0.209 221 HD11 LEU 29 1HD1 LEU 29 -3.302 8.820 -1.874 222 HD12 LEU 29 2HD1 LEU 29 -3.363 9.954 -0.526 223 HD13 LEU 29 3HD1 LEU 29 -3.399 8.218 -0.219 224 HD21 LEU 29 3HD2 LEU 29 0.105 7.538 -0.687 225 HD22 LEU 29 1HD2 LEU 29 -1.098 7.224 -1.938 226 HD23 LEU 29 2HD2 LEU 29 -1.481 6.901 -0.247 227 H HIS 30 H HIS 30 2.148 10.276 -3.261 228 HA HIS 30 HA HIS 30 1.563 12.841 -4.577 229 HB2 HIS 30 1HB HIS 30 4.328 11.692 -4.143 230 HB3 HIS 30 2HB HIS 30 3.946 13.195 -4.976 231 HD1 HIS 30 1HD HIS 30 2.184 14.667 -3.108 232 HD2 HIS 30 2HD HIS 30 5.380 12.381 -1.760 233 HE1 HIS 30 1HE HIS 30 2.752 15.580 -0.835 234 H LYS 31 H LYS 31 1.673 12.857 -6.799 235 HA LYS 31 HA LYS 31 1.949 10.213 -8.061 236 HB2 LYS 31 1HB LYS 31 0.464 10.985 -9.788 237 HB3 LYS 31 2HB LYS 31 -0.274 11.329 -8.229 238 HG2 LYS 31 1HG LYS 31 0.284 13.644 -8.396 239 HG3 LYS 31 2HG LYS 31 1.258 13.357 -9.840 240 HD2 LYS 31 1HD LYS 31 -1.712 12.859 -9.652 241 HD3 LYS 31 2HD LYS 31 -0.983 14.321 -10.321 242 HE2 LYS 31 1HE LYS 31 0.331 12.612 -11.810 243 HE3 LYS 31 2HE LYS 31 -1.006 11.538 -11.401 244 HZ1 LYS 31 3HZ LYS 31 -2.267 12.549 -12.892 245 HZ2 LYS 31 1HZ LYS 31 -0.951 13.505 -13.358 246 HZ3 LYS 31 2HZ LYS 31 -2.016 14.056 -12.164 247 H GLY 32 H GLY 32 3.309 9.908 -9.770 248 HA2 GLY 32 1HA GLY 32 4.822 12.258 -10.716 249 HA3 GLY 32 2HA GLY 32 5.650 10.784 -10.237 250 H LYS 33 H LYS 33 6.562 10.387 -12.234 251 HA LYS 33 HA LYS 33 4.662 9.513 -14.302 252 HB2 LYS 33 1HB LYS 33 6.880 11.456 -14.515 253 HB3 LYS 33 2HB LYS 33 6.783 10.269 -15.809 254 HG2 LYS 33 1HG LYS 33 4.326 10.944 -16.000 255 HG3 LYS 33 2HG LYS 33 4.767 12.337 -15.010 256 HD2 LYS 33 1HD LYS 33 6.383 11.683 -17.436 257 HD3 LYS 33 2HD LYS 33 4.827 12.497 -17.621 258 HE2 LYS 33 1HE LYS 33 6.142 14.335 -17.402 259 HE3 LYS 33 2HE LYS 33 5.853 14.020 -15.692 260 HZ1 LYS 33 3HZ LYS 33 8.299 13.949 -17.146 261 HZ2 LYS 33 1HZ LYS 33 8.031 12.485 -16.342 262 HZ3 LYS 33 2HZ LYS 33 8.046 13.937 -15.474 263 H ASP 34 H ASP 34 5.313 7.750 -15.566 264 HA ASP 34 HA ASP 34 7.641 6.279 -14.513 265 HB2 ASP 34 1HB ASP 34 6.479 4.240 -14.725 266 HB3 ASP 34 2HB ASP 34 5.303 5.348 -14.022 267 H TYR 35 H TYR 35 7.384 4.190 -16.485 268 HA TYR 35 HA TYR 35 9.102 5.104 -18.453 269 HB2 TYR 35 1HB TYR 35 8.297 3.042 -19.746 270 HB3 TYR 35 2HB TYR 35 8.986 2.771 -18.149 271 HD1 TYR 35 2HD TYR 35 5.797 3.002 -20.019 272 HD2 TYR 35 1HD TYR 35 7.718 1.751 -16.434 273 HE1 TYR 35 2HE TYR 35 3.755 1.804 -19.350 274 HE2 TYR 35 1HE TYR 35 5.682 0.548 -15.756 275 HH TYR 35 HH TYR 35 2.751 1.063 -16.973 276 H GLN 36 H GLN 36 5.601 5.107 -18.366 277 HA GLN 36 HA GLN 36 5.490 6.150 -21.101 278 HB2 GLN 36 1HB GLN 36 3.580 4.774 -19.305 279 HB3 GLN 36 2HB GLN 36 2.898 5.998 -20.368 280 HG2 GLN 36 1HG GLN 36 4.544 4.533 -22.031 281 HG3 GLN 36 2HG GLN 36 3.830 3.322 -20.968 282 HE21 GLN 36 1HE2 GLN 36 1.355 4.099 -20.531 283 HE22 GLN 36 2HE2 GLN 36 0.456 4.252 -21.998 284 H GLY 37 H GLY 37 6.395 7.619 -18.612 285 HA2 GLY 37 1HA GLY 37 5.932 9.601 -17.475 286 HA3 GLY 37 2HA GLY 37 5.813 10.166 -19.135 287 H LYS 38 H LYS 38 3.670 8.114 -17.172 288 HA LYS 38 HA LYS 38 1.683 10.146 -16.890 289 HB2 LYS 38 1HB LYS 38 1.595 8.394 -19.224 290 HB3 LYS 38 2HB LYS 38 0.127 8.312 -18.260 291 HG2 LYS 38 1HG LYS 38 -0.429 10.500 -18.666 292 HG3 LYS 38 2HG LYS 38 1.242 10.981 -18.969 293 HD2 LYS 38 1HD LYS 38 -0.391 9.217 -20.793 294 HD3 LYS 38 2HD LYS 38 -0.175 10.955 -21.011 295 HE2 LYS 38 1HE LYS 38 2.356 10.393 -20.914 296 HE3 LYS 38 2HE LYS 38 1.831 8.748 -21.268 297 HZ1 LYS 38 3HZ LYS 38 0.559 10.584 -23.005 298 HZ2 LYS 38 1HZ LYS 38 1.563 9.277 -23.387 299 HZ3 LYS 38 2HZ LYS 38 2.235 10.797 -23.073 300 HA PRO 39 HA PRO 39 -0.109 6.063 -15.101 301 HB2 PRO 39 1HB PRO 39 1.091 3.724 -15.778 302 HB3 PRO 39 2HB PRO 39 -0.209 4.448 -16.732 303 HG2 PRO 39 1HG PRO 39 2.749 4.538 -17.185 304 HG3 PRO 39 2HG PRO 39 1.445 4.283 -18.359 305 HD2 PRO 39 1HD PRO 39 2.676 6.674 -18.044 306 HD3 PRO 39 2HD PRO 39 0.967 6.533 -18.505 307 H MET 40 H MET 40 1.025 7.163 -13.345 308 HA MET 40 HA MET 40 2.870 5.362 -12.022 309 HB2 MET 40 1HB MET 40 4.309 6.906 -13.362 310 HB3 MET 40 2HB MET 40 3.637 8.253 -12.453 311 HG2 MET 40 1HG MET 40 5.783 7.654 -11.555 312 HG3 MET 40 2HG MET 40 4.522 7.276 -10.384 313 HE1 MET 40 3HE MET 40 4.605 4.394 -9.263 314 HE2 MET 40 1HE MET 40 6.363 4.508 -9.167 315 HE3 MET 40 2HE MET 40 5.374 5.955 -8.969 316 H PHE 41 H PHE 41 3.060 5.755 -9.759 317 HA PHE 41 HA PHE 41 1.787 7.895 -8.431 318 HB2 PHE 41 1HB PHE 41 -0.338 7.116 -8.896 319 HB3 PHE 41 2HB PHE 41 0.172 5.432 -8.929 320 HD1 PHE 41 2HD PHE 41 0.064 8.242 -6.470 321 HD2 PHE 41 1HD PHE 41 -0.621 4.112 -7.240 322 HE1 PHE 41 2HE PHE 41 -0.760 7.953 -4.170 323 HE2 PHE 41 1HE PHE 41 -1.447 3.817 -4.941 324 HZ PHE 41 HZ PHE 41 -1.516 5.738 -3.402 325 H TYR 42 H TYR 42 2.417 7.973 -6.337 326 HA TYR 42 HA TYR 42 3.789 5.593 -5.269 327 HB2 TYR 42 1HB TYR 42 4.445 8.519 -4.882 328 HB3 TYR 42 2HB TYR 42 5.209 7.211 -3.986 329 HD1 TYR 42 2HD TYR 42 6.315 5.341 -5.459 330 HD2 TYR 42 1HD TYR 42 5.433 9.267 -6.839 331 HE1 TYR 42 2HE TYR 42 7.980 5.079 -7.250 332 HE2 TYR 42 1HE TYR 42 7.094 9.016 -8.635 333 HH TYR 42 HH TYR 42 8.375 7.509 -9.761 334 H VAL 43 H VAL 43 3.329 4.936 -3.227 335 HA VAL 43 HA VAL 43 1.092 6.288 -1.898 336 HB VAL 43 HB VAL 43 2.201 3.556 -1.263 337 HG11 VAL 43 1HG1 VAL 43 0.271 3.208 -0.000 338 HG12 VAL 43 2HG1 VAL 43 0.727 4.870 0.383 339 HG13 VAL 43 3HG1 VAL 43 -0.581 4.553 -0.758 340 HG21 VAL 43 3HG2 VAL 43 1.273 2.748 -3.112 341 HG22 VAL 43 1HG2 VAL 43 -0.290 3.397 -2.615 342 HG23 VAL 43 2HG2 VAL 43 0.802 4.378 -3.594 343 H LEU 44 H LEU 44 2.276 7.957 -0.899 344 HA LEU 44 HA LEU 44 4.537 7.471 0.754 345 HB2 LEU 44 1HB LEU 44 2.656 9.778 0.405 346 HB3 LEU 44 2HB LEU 44 3.888 9.794 1.666 347 HG LEU 44 HG LEU 44 4.646 11.034 -0.269 348 HD11 LEU 44 1HD1 LEU 44 6.134 9.354 1.101 349 HD12 LEU 44 2HD1 LEU 44 6.772 10.196 -0.311 350 HD13 LEU 44 3HD1 LEU 44 6.232 8.523 -0.452 351 HD21 LEU 44 3HD2 LEU 44 4.756 8.604 -1.971 352 HD22 LEU 44 1HD2 LEU 44 4.597 10.302 -2.424 353 HD23 LEU 44 2HD2 LEU 44 3.202 9.421 -1.799 354 H PHE 45 H PHE 45 4.140 5.934 2.295 355 HA PHE 45 HA PHE 45 2.184 6.675 4.366 356 HB2 PHE 45 1HB PHE 45 1.753 4.285 4.756 357 HB3 PHE 45 2HB PHE 45 1.334 4.753 3.111 358 HD1 PHE 45 2HD PHE 45 4.062 3.218 5.115 359 HD2 PHE 45 1HD PHE 45 2.183 3.567 1.312 360 HE1 PHE 45 2HE PHE 45 5.500 1.422 4.244 361 HE2 PHE 45 1HE PHE 45 3.617 1.770 0.434 362 HZ PHE 45 HZ PHE 45 5.279 0.696 1.901 363 H GLU 46 H GLU 46 2.709 5.982 6.524 364 HA GLU 46 HA GLU 46 5.613 5.778 6.930 365 HB2 GLU 46 1HB GLU 46 4.149 7.706 7.899 366 HB3 GLU 46 2HB GLU 46 3.666 6.508 9.091 367 HG2 GLU 46 1HG GLU 46 6.402 6.282 9.068 368 HG3 GLU 46 2HG GLU 46 6.140 8.011 8.849 369 H LEU 47 H LEU 47 5.424 3.452 6.489 370 HA LEU 47 HA LEU 47 3.994 1.804 8.366 371 HB2 LEU 47 1HB LEU 47 4.218 0.998 6.133 372 HB3 LEU 47 2HB LEU 47 5.969 1.191 6.179 373 HG LEU 47 HG LEU 47 4.915 -1.177 6.369 374 HD11 LEU 47 1HD1 LEU 47 7.327 -0.057 7.123 375 HD12 LEU 47 2HD1 LEU 47 6.975 -1.777 6.954 376 HD13 LEU 47 3HD1 LEU 47 6.836 -1.000 8.531 377 HD21 LEU 47 3HD2 LEU 47 4.034 -1.857 8.351 378 HD22 LEU 47 1HD2 LEU 47 3.528 -0.168 8.400 379 HD23 LEU 47 2HD2 LEU 47 4.958 -0.687 9.293 380 H THR 48 H THR 48 4.683 1.480 10.366 381 HA THR 48 HA THR 48 7.554 1.632 10.944 382 HB THR 48 HB THR 48 5.315 1.514 12.964 383 HG1 THR 48 1HG THR 48 6.565 3.797 11.795 384 HG21 THR 48 3HG2 THR 48 7.236 2.893 14.169 385 HG22 THR 48 1HG2 THR 48 8.251 1.987 13.047 386 HG23 THR 48 2HG2 THR 48 7.211 1.130 14.185 387 H ASN 49 H ASN 49 8.676 -0.176 11.194 388 HA ASN 49 HA ASN 49 7.411 -2.737 11.250 389 HB2 ASN 49 1HB ASN 49 9.632 -2.218 10.164 390 HB3 ASN 49 2HB ASN 49 10.324 -2.135 11.781 391 HD21 ASN 49 1HD2 ASN 49 11.694 -3.860 11.422 392 HD22 ASN 49 2HD2 ASN 49 11.128 -5.489 11.319 393 H THR 50 H THR 50 6.133 -2.363 13.212 394 HA THR 50 HA THR 50 7.325 -2.046 15.755 395 HB THR 50 HB THR 50 5.201 -2.568 16.696 396 HG1 THR 50 1HG THR 50 3.822 -3.927 15.784 397 HG21 THR 50 3HG2 THR 50 5.340 -0.460 15.380 398 HG22 THR 50 1HG2 THR 50 3.707 -1.115 15.482 399 HG23 THR 50 2HG2 THR 50 4.648 -1.318 14.004 400 H THR 51 H THR 51 7.237 -4.685 13.639 401 HA THR 51 HA THR 51 7.157 -6.827 15.495 402 HB THR 51 HB THR 51 7.783 -8.250 13.723 403 HG1 THR 51 1HG THR 51 8.680 -7.201 11.734 404 HG21 THR 51 3HG2 THR 51 5.611 -7.060 13.407 405 HG22 THR 51 1HG2 THR 51 6.346 -7.614 11.904 406 HG23 THR 51 2HG2 THR 51 6.445 -5.913 12.359 407 H GLU 52 H GLU 52 9.332 -8.398 14.988 408 HA GLU 52 HA GLU 52 11.635 -6.823 15.916 409 HB2 GLU 52 1HB GLU 52 10.615 -9.416 17.081 410 HB3 GLU 52 2HB GLU 52 12.197 -8.739 17.441 411 HG2 GLU 52 1HG GLU 52 10.817 -6.624 18.103 412 HG3 GLU 52 2HG GLU 52 9.497 -7.783 18.253 413 H LYS 53 H LYS 53 11.093 -7.729 13.275 414 HA LYS 53 HA LYS 53 13.282 -9.672 12.942 415 HB2 LYS 53 1HB LYS 53 10.870 -9.440 11.138 416 HB3 LYS 53 2HB LYS 53 12.147 -10.646 11.051 417 HG2 LYS 53 1HG LYS 53 11.234 -10.981 13.599 418 HG3 LYS 53 2HG LYS 53 9.759 -10.550 12.730 419 HD2 LYS 53 1HD LYS 53 9.874 -12.404 11.352 420 HD3 LYS 53 2HD LYS 53 11.613 -12.596 11.583 421 HE2 LYS 53 1HE LYS 53 11.184 -13.279 13.921 422 HE3 LYS 53 2HE LYS 53 9.452 -13.174 13.607 423 HZ1 LYS 53 3HZ LYS 53 11.403 -15.132 12.609 424 HZ2 LYS 53 1HZ LYS 53 10.028 -14.794 11.684 425 HZ3 LYS 53 2HZ LYS 53 9.862 -15.388 13.258 426 H THR 54 H THR 54 14.500 -9.471 10.963 427 HA THR 54 HA THR 54 14.527 -6.701 9.967 428 HB THR 54 HB THR 54 16.841 -8.580 9.631 429 HG1 THR 54 1HG THR 54 16.110 -7.144 11.973 430 HG21 THR 54 3HG2 THR 54 16.954 -6.476 8.450 431 HG22 THR 54 1HG2 THR 54 18.104 -6.446 9.785 432 HG23 THR 54 2HG2 THR 54 16.570 -5.586 9.923 433 H GLN 55 H GLN 55 12.993 -9.164 9.013 434 HA GLN 55 HA GLN 55 14.045 -9.975 6.529 435 HB2 GLN 55 1HB GLN 55 11.807 -10.821 6.056 436 HB3 GLN 55 2HB GLN 55 12.279 -11.213 7.704 437 HG2 GLN 55 1HG GLN 55 11.003 -8.859 8.086 438 HG3 GLN 55 2HG GLN 55 10.110 -9.509 6.712 439 HE21 GLN 55 1HE2 GLN 55 9.265 -9.086 9.475 440 HE22 GLN 55 2HE2 GLN 55 8.736 -10.626 10.053 441 H ASN 56 H ASN 56 12.566 -9.589 4.474 442 HA ASN 56 HA ASN 56 13.082 -7.058 3.518 443 HB2 ASN 56 1HB ASN 56 12.355 -9.197 2.257 444 HB3 ASN 56 2HB ASN 56 10.711 -8.631 2.540 445 HD21 ASN 56 1HD2 ASN 56 13.705 -8.042 0.887 446 HD22 ASN 56 2HD2 ASN 56 13.097 -6.861 -0.218 447 H ILE 57 H ILE 57 11.345 -5.507 2.666 448 HA ILE 57 HA ILE 57 9.652 -4.773 4.937 449 HB ILE 57 HB ILE 57 10.102 -3.062 2.510 450 HG12 ILE 57 1HG1 ILE 57 11.897 -3.301 4.934 451 HG13 ILE 57 2HG1 ILE 57 12.321 -3.722 3.278 452 HG21 ILE 57 1HG2 ILE 57 8.759 -2.787 5.025 453 HG22 ILE 57 2HG2 ILE 57 10.042 -1.585 4.897 454 HG23 ILE 57 3HG2 ILE 57 8.795 -1.680 3.654 455 HD11 ILE 57 3HD1 ILE 57 13.140 -1.677 3.081 456 HD12 ILE 57 1HD1 ILE 57 11.481 -1.082 3.135 457 HD13 ILE 57 2HD1 ILE 57 12.433 -1.177 4.617 458 H GLN 58 H GLN 58 9.447 -5.066 1.395 459 HA GLN 58 HA GLN 58 6.750 -4.544 1.074 460 HB2 GLN 58 1HB GLN 58 7.975 -4.714 -0.905 461 HB3 GLN 58 2HB GLN 58 8.691 -6.253 -0.444 462 HG2 GLN 58 1HG GLN 58 6.571 -7.373 -0.789 463 HG3 GLN 58 2HG GLN 58 5.803 -5.835 -1.179 464 HE21 GLN 58 1HE2 GLN 58 7.601 -4.654 -2.813 465 HE22 GLN 58 2HE2 GLN 58 7.805 -5.582 -4.256 466 H LEU 59 H LEU 59 8.292 -7.310 2.444 467 HA LEU 59 HA LEU 59 6.280 -9.236 2.077 468 HB2 LEU 59 1HB LEU 59 8.715 -8.966 3.574 469 HB3 LEU 59 2HB LEU 59 7.470 -9.709 4.577 470 HG LEU 59 HG LEU 59 8.148 -10.754 1.841 471 HD11 LEU 59 1HD1 LEU 59 9.459 -11.360 4.477 472 HD12 LEU 59 2HD1 LEU 59 10.219 -10.874 2.962 473 HD13 LEU 59 3HD1 LEU 59 9.495 -12.475 3.111 474 HD21 LEU 59 3HD2 LEU 59 6.342 -11.481 4.005 475 HD22 LEU 59 1HD2 LEU 59 7.370 -12.817 3.487 476 HD23 LEU 59 2HD2 LEU 59 6.348 -11.986 2.314 477 H MET 60 H MET 60 6.356 -6.427 4.000 478 HA MET 60 HA MET 60 4.197 -7.411 5.729 479 HB2 MET 60 1HB MET 60 5.599 -4.760 5.997 480 HB3 MET 60 2HB MET 60 4.683 -5.636 7.216 481 HG2 MET 60 1HG MET 60 6.713 -7.381 6.517 482 HG3 MET 60 2HG MET 60 7.485 -5.797 6.529 483 HE1 MET 60 3HE MET 60 5.525 -4.377 8.532 484 HE2 MET 60 1HE MET 60 6.164 -4.632 10.157 485 HE3 MET 60 2HE MET 60 7.238 -4.108 8.860 486 H ILE 61 H ILE 61 5.034 -4.695 3.599 487 HA ILE 61 HA ILE 61 2.618 -3.314 3.738 488 HB ILE 61 HB ILE 61 4.523 -3.542 1.406 489 HG12 ILE 61 1HG1 ILE 61 5.576 -2.641 3.411 490 HG13 ILE 61 2HG1 ILE 61 5.356 -1.361 2.224 491 HG21 ILE 61 1HG2 ILE 61 2.524 -2.743 0.479 492 HG22 ILE 61 2HG2 ILE 61 2.165 -1.750 1.890 493 HG23 ILE 61 3HG2 ILE 61 3.476 -1.294 0.803 494 HD11 ILE 61 3HD1 ILE 61 3.367 -0.602 3.439 495 HD12 ILE 61 1HD1 ILE 61 3.639 -1.861 4.643 496 HD13 ILE 61 2HD1 ILE 61 4.820 -0.567 4.438 497 H GLN 62 H GLN 62 3.527 -6.134 1.869 498 HA GLN 62 HA GLN 62 1.121 -6.092 0.275 499 HB2 GLN 62 1HB GLN 62 3.420 -8.011 0.548 500 HB3 GLN 62 2HB GLN 62 1.986 -8.430 -0.379 501 HG2 GLN 62 1HG GLN 62 2.351 -6.401 -1.758 502 HG3 GLN 62 2HG GLN 62 3.861 -6.134 -0.888 503 HE21 GLN 62 1HE2 GLN 62 4.796 -8.712 -0.676 504 HE22 GLN 62 2HE2 GLN 62 5.176 -9.316 -2.249 505 H SER 63 H SER 63 1.637 -6.757 3.416 506 HA SER 63 HA SER 63 -0.459 -8.829 3.482 507 HB2 SER 63 1HB SER 63 2.102 -8.603 4.937 508 HB3 SER 63 2HB SER 63 0.717 -9.069 5.923 509 HG SER 63 HG SER 63 1.721 -10.897 5.030 510 H PHE 64 H PHE 64 0.126 -5.651 4.004 511 HA PHE 64 HA PHE 64 -1.828 -5.489 6.203 512 HB2 PHE 64 1HB PHE 64 0.436 -3.637 5.461 513 HB3 PHE 64 2HB PHE 64 -0.846 -3.177 6.576 514 HD1 PHE 64 1HD PHE 64 -1.225 -5.692 8.067 515 HD2 PHE 64 2HD PHE 64 2.335 -3.741 6.790 516 HE1 PHE 64 1HE PHE 64 0.009 -6.741 9.919 517 HE2 PHE 64 2HE PHE 64 3.576 -4.787 8.639 518 HZ PHE 64 HZ PHE 64 2.414 -6.290 10.206 519 H MET 65 H MET 65 -0.864 -4.243 3.065 520 HA MET 65 HA MET 65 -3.578 -3.183 2.721 521 HB2 MET 65 1HB MET 65 -2.264 -1.237 3.217 522 HB3 MET 65 2HB MET 65 -1.006 -1.732 2.092 523 HG2 MET 65 1HG MET 65 -2.605 -1.454 0.235 524 HG3 MET 65 2HG MET 65 -3.799 -0.865 1.389 525 HE1 MET 65 3HE MET 65 -0.973 0.550 -1.092 526 HE2 MET 65 1HE MET 65 0.114 1.137 0.168 527 HE3 MET 65 2HE MET 65 -0.308 -0.573 0.095 528 H GLU 66 H GLU 66 -4.362 -3.211 0.593 529 HA GLU 66 HA GLU 66 -2.679 -4.611 -1.372 530 HB2 GLU 66 1HB GLU 66 -5.292 -5.413 -0.263 531 HB3 GLU 66 2HB GLU 66 -5.161 -5.517 -2.013 532 HG2 GLU 66 1HG GLU 66 -4.244 -7.509 -1.711 533 HG3 GLU 66 2HG GLU 66 -2.817 -6.664 -1.113 534 H VAL 67 H VAL 67 -3.372 -4.325 -3.607 535 HA VAL 67 HA VAL 67 -5.132 -2.041 -4.098 536 HB VAL 67 HB VAL 67 -2.436 -2.146 -5.426 537 HG11 VAL 67 1HG1 VAL 67 -4.324 -0.837 -6.426 538 HG12 VAL 67 2HG1 VAL 67 -4.307 0.173 -4.979 539 HG13 VAL 67 3HG1 VAL 67 -2.893 0.114 -6.032 540 HG21 VAL 67 3HG2 VAL 67 -3.182 -0.970 -2.779 541 HG22 VAL 67 1HG2 VAL 67 -1.735 -1.868 -3.238 542 HG23 VAL 67 2HG2 VAL 67 -1.947 -0.201 -3.775 543 H SER 68 H SER 68 -6.065 -2.003 -6.143 544 HA SER 68 HA SER 68 -5.322 -3.560 -8.336 545 HB2 SER 68 1HB SER 68 -7.563 -5.087 -7.883 546 HB3 SER 68 2HB SER 68 -5.903 -5.624 -7.629 547 HG SER 68 HG SER 68 -6.662 -5.942 -5.672 548 H GLN 69 H GLN 69 -6.675 -3.247 -10.109 549 HA GLN 69 HA GLN 69 -9.164 -1.772 -9.674 550 HB2 GLN 69 1HB GLN 69 -6.780 -0.801 -11.220 551 HB3 GLN 69 2HB GLN 69 -8.401 -0.270 -11.646 552 HG2 GLN 69 1HG GLN 69 -8.696 0.857 -9.635 553 HG3 GLN 69 2HG GLN 69 -7.392 -0.024 -8.841 554 HE21 GLN 69 1HE2 GLN 69 -8.019 2.262 -11.466 555 HE22 GLN 69 2HE2 GLN 69 -6.537 3.134 -11.297 556 H THR 70 H THR 70 -10.336 -1.464 -11.829 557 HA THR 70 HA THR 70 -10.707 -4.012 -13.008 558 HB THR 70 HB THR 70 -11.748 -1.775 -14.581 559 HG1 THR 70 1HG THR 70 -12.657 -0.665 -13.014 560 HG21 THR 70 3HG2 THR 70 -12.677 -4.317 -13.382 561 HG22 THR 70 1HG2 THR 70 -12.944 -3.662 -14.997 562 HG23 THR 70 2HG2 THR 70 -13.899 -3.071 -13.637 563 H VAL 71 H VAL 71 -10.541 -4.525 -15.298 564 HA VAL 71 HA VAL 71 -9.071 -3.007 -17.144 565 HB VAL 71 HB VAL 71 -7.134 -3.336 -15.776 566 HG11 VAL 71 1HG1 VAL 71 -7.043 -5.068 -14.388 567 HG12 VAL 71 2HG1 VAL 71 -8.337 -5.893 -15.259 568 HG13 VAL 71 3HG1 VAL 71 -6.660 -6.096 -15.769 569 HG21 VAL 71 3HG2 VAL 71 -7.081 -5.270 -18.092 570 HG22 VAL 71 1HG2 VAL 71 -6.787 -3.533 -18.181 571 HG23 VAL 71 2HG2 VAL 71 -5.668 -4.573 -17.299 572 H HIS 72 H HIS 72 -9.901 -3.720 -18.984 573 HA HIS 72 HA HIS 72 -10.654 -5.088 -20.638 574 HB2 HIS 72 1HB HIS 72 -8.600 -6.670 -19.265 575 HB3 HIS 72 2HB HIS 72 -9.790 -7.645 -20.122 576 HD1 HIS 72 1HD HIS 72 -10.237 -5.997 -22.628 577 HD2 HIS 72 2HD HIS 72 -6.486 -6.636 -20.959 578 HE1 HIS 72 1HE HIS 72 -8.598 -5.657 -24.506 579 H GLY 73 H GLY 73 -11.910 -4.937 -17.811 580 HA2 GLY 73 1HA GLY 73 -14.128 -5.545 -17.287 581 HA3 GLY 73 2HA GLY 73 -13.999 -6.894 -18.406 582 H LYS 74 H LYS 74 -11.628 -6.158 -15.925 583 HA LYS 74 HA LYS 74 -12.663 -8.040 -14.031 584 HB2 LYS 74 1HB LYS 74 -11.089 -9.780 -14.237 585 HB3 LYS 74 2HB LYS 74 -11.627 -9.463 -15.881 586 HG2 LYS 74 1HG LYS 74 -9.539 -9.122 -16.517 587 HG3 LYS 74 2HG LYS 74 -9.376 -7.813 -15.344 588 HD2 LYS 74 1HD LYS 74 -7.755 -9.166 -14.520 589 HD3 LYS 74 2HD LYS 74 -9.127 -9.911 -13.695 590 HE2 LYS 74 1HE LYS 74 -9.269 -11.633 -15.347 591 HE3 LYS 74 2HE LYS 74 -8.086 -10.822 -16.372 592 HZ1 LYS 74 3HZ LYS 74 -7.550 -12.767 -14.546 593 HZ2 LYS 74 1HZ LYS 74 -7.087 -11.352 -13.741 594 HZ3 LYS 74 2HZ LYS 74 -6.413 -11.728 -15.246 595 H ALA 75 H ALA 75 -11.085 -8.378 -12.204 596 HA ALA 75 HA ALA 75 -9.771 -5.836 -11.647 597 HB1 ALA 75 1HB ALA 75 -11.302 -6.683 -9.971 598 HB2 ALA 75 2HB ALA 75 -10.374 -8.179 -9.846 599 HB3 ALA 75 3HB ALA 75 -9.659 -6.652 -9.330 600 H GLN 76 H GLN 76 -7.621 -5.562 -11.454 601 HA GLN 76 HA GLN 76 -5.922 -7.949 -11.766 602 HB2 GLN 76 1HB GLN 76 -5.830 -6.510 -13.730 603 HB3 GLN 76 2HB GLN 76 -5.433 -5.124 -12.723 604 HG2 GLN 76 1HG GLN 76 -3.439 -6.753 -12.012 605 HG3 GLN 76 2HG GLN 76 -3.733 -7.352 -13.643 606 HE21 GLN 76 1HE2 GLN 76 -3.873 -4.108 -12.221 607 HE22 GLN 76 2HE2 GLN 76 -2.748 -3.390 -13.318 608 H ASN 77 H ASN 77 -4.387 -8.324 -10.282 609 HA ASN 77 HA ASN 77 -4.361 -6.869 -7.857 610 HB2 ASN 77 1HB ASN 77 -2.426 -8.336 -7.276 611 HB3 ASN 77 2HB ASN 77 -3.833 -9.226 -7.851 612 HD21 ASN 77 1HD2 ASN 77 -3.808 -10.045 -10.000 613 HD22 ASN 77 2HD2 ASN 77 -2.308 -10.390 -10.786 614 H LEU 78 H LEU 78 -3.867 -4.716 -8.362 615 HA LEU 78 HA LEU 78 -1.784 -3.744 -9.874 616 HB2 LEU 78 1HB LEU 78 -3.510 -2.743 -7.774 617 HB3 LEU 78 2HB LEU 78 -1.906 -2.015 -7.702 618 HG LEU 78 HG LEU 78 -2.150 -1.253 -10.016 619 HD11 LEU 78 1HD1 LEU 78 -5.030 -2.030 -9.982 620 HD12 LEU 78 2HD1 LEU 78 -3.815 -3.200 -10.496 621 HD13 LEU 78 3HD1 LEU 78 -3.977 -1.666 -11.349 622 HD21 LEU 78 3HD2 LEU 78 -4.570 -0.443 -8.420 623 HD22 LEU 78 1HD2 LEU 78 -3.666 0.519 -9.591 624 HD23 LEU 78 2HD2 LEU 78 -2.934 0.100 -8.041 625 H GLN 79 H GLN 79 0.293 -4.273 -9.784 626 HA GLN 79 HA GLN 79 1.537 -4.639 -7.139 627 HB2 GLN 79 1HB GLN 79 2.133 -5.906 -9.805 628 HB3 GLN 79 2HB GLN 79 3.292 -5.932 -8.483 629 HG2 GLN 79 1HG GLN 79 1.971 -7.311 -7.176 630 HG3 GLN 79 2HG GLN 79 0.501 -6.908 -8.062 631 HE21 GLN 79 1HE2 GLN 79 1.098 -7.348 -10.615 632 HE22 GLN 79 2HE2 GLN 79 1.538 -8.997 -10.884 633 H TYR 80 H TYR 80 4.132 -4.431 -7.611 634 HA TYR 80 HA TYR 80 4.693 -1.745 -7.654 635 HB2 TYR 80 1HB TYR 80 6.253 -3.523 -6.891 636 HB3 TYR 80 2HB TYR 80 6.563 -3.938 -8.573 637 HD1 TYR 80 1HD TYR 80 7.788 -2.366 -10.032 638 HD2 TYR 80 2HD TYR 80 7.267 -1.605 -5.878 639 HE1 TYR 80 1HE TYR 80 9.582 -0.686 -10.121 640 HE2 TYR 80 2HE TYR 80 9.058 0.079 -5.957 641 HH TYR 80 HH TYR 80 11.256 0.342 -7.800 642 H ALA 81 H ALA 81 4.790 -0.217 -9.161 643 HA ALA 81 HA ALA 81 4.425 -0.959 -11.950 644 HB1 ALA 81 1HB ALA 81 3.048 0.793 -11.723 645 HB2 ALA 81 2HB ALA 81 3.908 1.413 -10.313 646 HB3 ALA 81 3HB ALA 81 4.506 1.763 -11.935 647 H VAL 82 H VAL 82 5.897 -0.695 -13.545 648 HA VAL 82 HA VAL 82 8.643 -0.375 -12.823 649 HB VAL 82 HB VAL 82 7.362 -0.556 -15.554 650 HG11 VAL 82 1HG1 VAL 82 9.471 0.449 -15.876 651 HG12 VAL 82 2HG1 VAL 82 10.239 -0.598 -14.681 652 HG13 VAL 82 3HG1 VAL 82 9.703 -1.264 -16.224 653 HG21 VAL 82 3HG2 VAL 82 8.198 -2.893 -15.477 654 HG22 VAL 82 1HG2 VAL 82 8.653 -2.635 -13.792 655 HG23 VAL 82 2HG2 VAL 82 6.957 -2.552 -14.270 656 H LEU 83 H LEU 83 10.061 1.276 -13.333 657 HA LEU 83 HA LEU 83 9.113 3.636 -14.719 658 HB2 LEU 83 1HB LEU 83 9.891 5.083 -12.767 659 HB3 LEU 83 2HB LEU 83 8.322 4.292 -12.631 660 HG LEU 83 HG LEU 83 10.360 2.627 -11.480 661 HD11 LEU 83 1HD1 LEU 83 11.429 3.944 -9.972 662 HD12 LEU 83 2HD1 LEU 83 10.123 5.127 -9.909 663 HD13 LEU 83 3HD1 LEU 83 11.245 5.125 -11.269 664 HD21 LEU 83 3HD2 LEU 83 7.735 3.049 -11.122 665 HD22 LEU 83 1HD2 LEU 83 8.375 4.016 -9.793 666 HD23 LEU 83 2HD2 LEU 83 8.772 2.301 -9.907 667 H THR 84 H THR 84 10.705 4.214 -16.025 668 HA THR 84 HA THR 84 13.214 3.175 -16.182 669 HB THR 84 HB THR 84 12.848 4.433 -18.035 670 HG1 THR 84 1HG THR 84 14.607 5.587 -17.908 671 HG21 THR 84 3HG2 THR 84 11.937 6.902 -17.687 672 HG22 THR 84 1HG2 THR 84 11.353 6.208 -16.175 673 HG23 THR 84 2HG2 THR 84 10.855 5.510 -17.717 674 H ASP 85 H ASP 85 12.709 6.480 -14.945 675 HA ASP 85 HA ASP 85 14.501 5.964 -12.719 676 HB2 ASP 85 1HB ASP 85 15.704 8.215 -13.471 677 HB3 ASP 85 2HB ASP 85 16.255 6.639 -14.031 678 H SER 86 H SER 86 13.801 6.996 -10.967 679 HA SER 86 HA SER 86 12.267 9.479 -11.290 680 HB2 SER 86 1HB SER 86 11.436 7.038 -9.717 681 HB3 SER 86 2HB SER 86 10.735 8.633 -9.446 682 HG SER 86 HG SER 86 9.676 8.493 -11.280 683 HA PRO 87 HA PRO 87 14.690 11.033 -7.978 684 HB2 PRO 87 1HB PRO 87 12.940 12.737 -6.794 685 HB3 PRO 87 2HB PRO 87 13.692 13.067 -8.359 686 HG2 PRO 87 1HG PRO 87 10.965 11.988 -7.758 687 HG3 PRO 87 2HG PRO 87 11.447 13.209 -8.950 688 HD2 PRO 87 1HD PRO 87 10.957 10.632 -9.621 689 HD3 PRO 87 2HD PRO 87 12.158 11.628 -10.469 690 H PHE 88 H PHE 88 11.743 9.355 -7.348 691 HA PHE 88 HA PHE 88 12.227 9.254 -4.473 692 HB2 PHE 88 1HB PHE 88 9.951 8.485 -6.257 693 HB3 PHE 88 2HB PHE 88 10.085 7.736 -4.669 694 HD1 PHE 88 2HD PHE 88 9.911 11.026 -6.374 695 HD2 PHE 88 1HD PHE 88 9.321 8.842 -2.769 696 HE1 PHE 88 2HE PHE 88 8.835 12.993 -5.362 697 HE2 PHE 88 1HE PHE 88 8.243 10.805 -1.752 698 HZ PHE 88 HZ PHE 88 8.000 12.885 -3.048 699 H GLN 89 H GLN 89 14.210 8.052 -6.047 700 HA GLN 89 HA GLN 89 13.739 5.192 -6.032 701 HB2 GLN 89 1HB GLN 89 15.389 6.882 -7.498 702 HB3 GLN 89 2HB GLN 89 16.499 6.017 -6.444 703 HG2 GLN 89 1HG GLN 89 14.438 4.481 -7.944 704 HG3 GLN 89 2HG GLN 89 15.862 5.074 -8.797 705 HE21 GLN 89 1HE2 GLN 89 14.640 2.849 -6.460 706 HE22 GLN 89 2HE2 GLN 89 16.092 1.936 -6.255 707 H ASP 90 H ASP 90 14.813 7.531 -3.848 708 HA ASP 90 HA ASP 90 16.692 5.940 -2.393 709 HB2 ASP 90 1HB ASP 90 15.638 8.626 -2.263 710 HB3 ASP 90 2HB ASP 90 15.653 7.893 -0.662 711 H LYS 91 H LYS 91 13.301 6.018 -2.588 712 HA LYS 91 HA LYS 91 13.053 4.576 -0.031 713 HB2 LYS 91 1HB LYS 91 10.557 5.133 -0.356 714 HB3 LYS 91 2HB LYS 91 11.639 6.427 0.143 715 HG2 LYS 91 1HG LYS 91 11.212 6.079 -2.763 716 HG3 LYS 91 2HG LYS 91 9.861 6.705 -1.815 717 HD2 LYS 91 1HD LYS 91 12.644 7.853 -1.692 718 HD3 LYS 91 2HD LYS 91 11.400 8.443 -2.797 719 HE2 LYS 91 1HE LYS 91 10.760 9.803 -1.151 720 HE3 LYS 91 2HE LYS 91 10.126 8.369 -0.343 721 HZ1 LYS 91 3HZ LYS 91 11.797 8.360 1.141 722 HZ2 LYS 91 1HZ LYS 91 11.922 10.000 0.745 723 HZ3 LYS 91 2HZ LYS 91 12.960 8.876 0.025 724 H LEU 92 H LEU 92 12.819 4.326 -3.428 725 HA LEU 92 HA LEU 92 10.959 2.185 -3.594 726 HB2 LEU 92 1HB LEU 92 12.986 3.384 -5.423 727 HB3 LEU 92 2HB LEU 92 12.265 1.831 -5.839 728 HG LEU 92 HG LEU 92 10.747 4.401 -5.391 729 HD11 LEU 92 1HD1 LEU 92 10.298 3.831 -7.943 730 HD12 LEU 92 2HD1 LEU 92 11.899 3.106 -7.796 731 HD13 LEU 92 3HD1 LEU 92 11.668 4.815 -7.425 732 HD21 LEU 92 3HD2 LEU 92 9.358 2.328 -6.820 733 HD22 LEU 92 1HD2 LEU 92 8.883 3.195 -5.359 734 HD23 LEU 92 2HD2 LEU 92 9.880 1.745 -5.239 735 H ASP 93 H ASP 93 14.474 2.358 -3.328 736 HA ASP 93 HA ASP 93 15.035 -0.360 -3.737 737 HB2 ASP 93 1HB ASP 93 17.195 0.103 -2.970 738 HB3 ASP 93 2HB ASP 93 16.647 1.661 -3.581 739 H ARG 94 H ARG 94 13.520 1.236 -1.132 740 HA ARG 94 HA ARG 94 14.243 -0.399 1.028 741 HB2 ARG 94 1HB ARG 94 11.573 0.948 0.591 742 HB3 ARG 94 2HB ARG 94 12.258 0.444 2.131 743 HG2 ARG 94 1HG ARG 94 13.623 2.458 0.378 744 HG3 ARG 94 2HG ARG 94 12.373 2.916 1.538 745 HD2 ARG 94 1HD ARG 94 13.669 2.326 3.363 746 HD3 ARG 94 2HD ARG 94 14.683 1.237 2.418 747 HE ARG 94 HE ARG 94 16.023 3.015 1.854 748 HH11 ARG 94 1HH1 ARG 94 13.071 4.184 3.282 749 HH12 ARG 94 2HH1 ARG 94 13.627 5.821 3.406 750 HH21 ARG 94 1HH2 ARG 94 16.765 5.166 2.012 751 HH22 ARG 94 2HH2 ARG 94 15.728 6.378 2.683 752 H LEU 95 H LEU 95 11.660 -0.712 -1.370 753 HA LEU 95 HA LEU 95 10.298 -2.877 -0.284 754 HB2 LEU 95 1HB LEU 95 10.766 -2.494 -3.228 755 HB3 LEU 95 2HB LEU 95 9.379 -3.240 -2.437 756 HG LEU 95 HG LEU 95 10.079 -0.311 -2.537 757 HD11 LEU 95 1HD1 LEU 95 7.425 -1.313 -3.308 758 HD12 LEU 95 2HD1 LEU 95 8.755 -1.796 -4.361 759 HD13 LEU 95 3HD1 LEU 95 8.444 -0.086 -4.062 760 HD21 LEU 95 3HD2 LEU 95 7.685 -0.333 -1.354 761 HD22 LEU 95 1HD2 LEU 95 9.199 -0.318 -0.448 762 HD23 LEU 95 2HD2 LEU 95 8.335 -1.835 -0.695 763 H ALA 96 H ALA 96 13.384 -2.743 -1.836 764 HA ALA 96 HA ALA 96 13.505 -5.682 -1.925 765 HB1 ALA 96 1HB ALA 96 14.610 -5.518 -3.847 766 HB2 ALA 96 2HB ALA 96 14.226 -3.796 -3.838 767 HB3 ALA 96 3HB ALA 96 15.754 -4.363 -3.164 768 H ASP 97 H ASP 97 13.932 -3.710 0.375 769 HA ASP 97 HA ASP 97 16.552 -4.775 1.198 770 HB2 ASP 97 1HB ASP 97 15.834 -2.054 0.874 771 HB3 ASP 97 2HB ASP 97 15.955 -2.349 2.606 772 H GLU 98 H GLU 98 16.591 -3.983 3.802 773 HA GLU 98 HA GLU 98 14.455 -5.628 4.934 774 HB2 GLU 98 1HB GLU 98 17.006 -4.613 6.200 775 HB3 GLU 98 2HB GLU 98 15.864 -5.724 6.943 776 HG2 GLU 98 1HG GLU 98 16.483 -7.481 5.599 777 HG3 GLU 98 2HG GLU 98 17.091 -6.429 4.322 778 H ILE 99 H ILE 99 14.082 -4.854 7.403 779 HA ILE 99 HA ILE 99 13.317 -2.011 7.251 780 HB ILE 99 HB ILE 99 11.557 -3.044 9.062 781 HG12 ILE 99 1HG1 ILE 99 10.562 -5.045 7.919 782 HG13 ILE 99 2HG1 ILE 99 11.992 -5.107 6.894 783 HG21 ILE 99 1HG2 ILE 99 10.259 -3.219 6.584 784 HG22 ILE 99 2HG2 ILE 99 10.312 -1.837 7.677 785 HG23 ILE 99 3HG2 ILE 99 11.512 -1.992 6.393 786 HD11 ILE 99 3HD1 ILE 99 11.627 -6.358 9.339 787 HD12 ILE 99 1HD1 ILE 99 13.138 -6.193 8.445 788 HD13 ILE 99 2HD1 ILE 99 12.711 -5.010 9.683 789 H ASN 100 H ASN 100 12.777 -1.159 9.543 790 HA ASN 100 HA ASN 100 14.973 -1.983 11.321 791 HB2 ASN 100 1HB ASN 100 13.890 0.631 10.522 792 HB3 ASN 100 2HB ASN 100 14.181 0.469 12.251 793 HD21 ASN 100 1HD2 ASN 100 15.948 -1.026 9.596 794 HD22 ASN 100 2HD2 ASN 100 17.457 -0.250 9.925 795 HA PRO 101 HA PRO 101 11.256 -3.327 13.629 796 HB2 PRO 101 1HB PRO 101 12.537 -5.343 14.919 797 HB3 PRO 101 2HB PRO 101 11.872 -5.515 13.290 798 HG2 PRO 101 1HG PRO 101 14.694 -4.988 14.138 799 HG3 PRO 101 2HG PRO 101 14.089 -6.087 12.885 800 HD2 PRO 101 1HD PRO 101 15.123 -3.651 12.311 801 HD3 PRO 101 2HD PRO 101 13.829 -4.392 11.345 802 H GLY 102 H GLY 102 11.211 -1.454 14.922 803 HA2 GLY 102 1HA GLY 102 11.224 -1.155 17.393 804 HA3 GLY 102 2HA GLY 102 12.925 -1.589 17.326 805 H GLU 103 H GLU 103 12.195 0.219 14.636 806 HA GLU 103 HA GLU 103 13.032 2.708 15.975 807 HB2 GLU 103 1HB GLU 103 14.663 1.455 14.359 808 HB3 GLU 103 2HB GLU 103 13.654 2.148 13.097 809 HG2 GLU 103 1HG GLU 103 14.640 4.119 13.287 810 HG3 GLU 103 2HG GLU 103 14.382 4.150 15.030 811 H THR 104 H THR 104 12.582 4.662 14.457 812 HA THR 104 HA THR 104 9.821 4.390 13.460 813 HB THR 104 HB THR 104 9.740 5.812 15.354 814 HG1 THR 104 1HG THR 104 9.201 7.847 14.352 815 HG21 THR 104 3HG2 THR 104 11.344 8.009 14.924 816 HG22 THR 104 1HG2 THR 104 12.365 6.667 14.410 817 HG23 THR 104 2HG2 THR 104 11.688 6.686 16.038 818 H ILE 105 H ILE 105 10.040 4.168 11.300 819 HA ILE 105 HA ILE 105 11.198 6.416 9.846 820 HB ILE 105 HB ILE 105 12.488 5.063 8.345 821 HG12 ILE 105 1HG1 ILE 105 12.630 2.518 9.452 822 HG13 ILE 105 2HG1 ILE 105 10.915 2.908 9.517 823 HG21 ILE 105 1HG2 ILE 105 13.229 4.028 11.059 824 HG22 ILE 105 2HG2 ILE 105 14.283 4.517 9.734 825 HG23 ILE 105 3HG2 ILE 105 13.393 5.735 10.647 826 HD11 ILE 105 3HD1 ILE 105 10.696 2.506 7.357 827 HD12 ILE 105 1HD1 ILE 105 11.988 3.640 6.965 828 HD13 ILE 105 2HD1 ILE 105 12.372 1.958 7.334 829 H GLN 106 H GLN 106 10.940 5.594 7.296 830 HA GLN 106 HA GLN 106 8.415 4.288 6.846 831 HB2 GLN 106 1HB GLN 106 7.303 6.194 5.802 832 HB3 GLN 106 2HB GLN 106 7.660 6.531 7.490 833 HG2 GLN 106 1HG GLN 106 9.698 7.762 6.722 834 HG3 GLN 106 2HG GLN 106 9.109 7.569 5.071 835 HE21 GLN 106 1HE2 GLN 106 8.738 9.224 8.069 836 HE22 GLN 106 2HE2 GLN 106 7.551 10.363 7.542 837 H GLY 107 H GLY 107 7.806 4.881 4.346 838 HA2 GLY 107 1HA GLY 107 10.081 5.211 2.634 839 HA3 GLY 107 2HA GLY 107 9.582 3.531 2.755 840 H ALA 108 H ALA 108 8.984 3.412 0.587 841 HA ALA 108 HA ALA 108 6.400 4.664 0.003 842 HB1 ALA 108 1HB ALA 108 7.078 5.267 -2.245 843 HB2 ALA 108 2HB ALA 108 8.125 6.054 -1.063 844 HB3 ALA 108 3HB ALA 108 8.700 4.641 -1.947 845 H TYR 109 H TYR 109 5.581 3.692 -2.204 846 HA TYR 109 HA TYR 109 6.396 1.112 -2.974 847 HB2 TYR 109 1HB TYR 109 5.417 0.774 -0.588 848 HB3 TYR 109 2HB TYR 109 3.856 0.983 -1.375 849 HD1 TYR 109 1HD TYR 109 3.790 -0.468 -3.723 850 HD2 TYR 109 2HD TYR 109 5.993 -1.417 -0.209 851 HE1 TYR 109 1HE TYR 109 3.800 -2.839 -4.377 852 HE2 TYR 109 2HE TYR 109 6.010 -3.790 -0.854 853 HH TYR 109 HH TYR 109 4.307 -4.920 -3.750 854 HA PRO 110 HA PRO 110 3.562 3.268 -5.870 855 HB2 PRO 110 1HB PRO 110 4.980 2.592 -8.084 856 HB3 PRO 110 2HB PRO 110 5.372 3.995 -7.084 857 HG2 PRO 110 1HG PRO 110 6.619 1.273 -7.101 858 HG3 PRO 110 2HG PRO 110 7.401 2.862 -7.006 859 HD2 PRO 110 1HD PRO 110 7.003 1.301 -4.829 860 HD3 PRO 110 2HD PRO 110 6.979 3.075 -4.750 861 H TYR 111 H TYR 111 2.080 2.413 -7.355 862 HA TYR 111 HA TYR 111 2.095 -0.519 -7.634 863 HB2 TYR 111 1HB TYR 111 -0.229 1.280 -6.940 864 HB3 TYR 111 2HB TYR 111 -0.428 -0.381 -7.487 865 HD1 TYR 111 2HD TYR 111 0.616 -2.235 -6.102 866 HD2 TYR 111 1HD TYR 111 0.235 1.759 -4.685 867 HE1 TYR 111 2HE TYR 111 0.894 -3.034 -3.793 868 HE2 TYR 111 1HE TYR 111 0.513 0.971 -2.372 869 HH TYR 111 HH TYR 111 0.357 -2.320 -1.520 870 H GLU 112 H GLU 112 0.322 -1.148 -9.337 871 HA GLU 112 HA GLU 112 1.157 -0.043 -11.809 872 HB2 GLU 112 1HB GLU 112 -0.561 -2.223 -10.905 873 HB3 GLU 112 2HB GLU 112 -1.166 -1.443 -12.360 874 HG2 GLU 112 1HG GLU 112 0.486 -2.251 -13.641 875 HG3 GLU 112 2HG GLU 112 1.705 -2.046 -12.384 876 H PHE 113 H PHE 113 0.566 1.871 -12.567 877 HA PHE 113 HA PHE 113 -2.019 3.000 -11.803 878 HB2 PHE 113 1HB PHE 113 0.455 4.143 -11.964 879 HB3 PHE 113 2HB PHE 113 -0.238 4.601 -13.516 880 HD1 PHE 113 2HD PHE 113 -1.718 4.262 -10.110 881 HD2 PHE 113 1HD PHE 113 -0.883 6.803 -13.422 882 HE1 PHE 113 2HE PHE 113 -2.950 6.089 -9.016 883 HE2 PHE 113 1HE PHE 113 -2.113 8.634 -12.332 884 HZ PHE 113 HZ PHE 113 -3.150 8.278 -10.126 885 H ILE 114 H ILE 114 -1.184 0.925 -14.035 886 HA ILE 114 HA ILE 114 -1.673 1.825 -16.555 887 HB ILE 114 HB ILE 114 -2.780 -0.715 -15.351 888 HG12 ILE 114 1HG1 ILE 114 -0.230 -0.258 -16.913 889 HG13 ILE 114 2HG1 ILE 114 -0.309 -0.398 -15.160 890 HG21 ILE 114 1HG2 ILE 114 -2.891 0.411 -18.049 891 HG22 ILE 114 2HG2 ILE 114 -2.284 -1.242 -17.979 892 HG23 ILE 114 3HG2 ILE 114 -3.867 -0.855 -17.305 893 HD11 ILE 114 3HD1 ILE 114 -1.446 -2.672 -15.647 894 HD12 ILE 114 1HD1 ILE 114 -0.718 -2.491 -17.243 895 HD13 ILE 114 2HD1 ILE 114 0.304 -2.518 -15.806 896 H ASN 115 H ASN 115 -4.003 1.419 -13.972 897 HA ASN 115 HA ASN 115 -6.190 2.178 -15.770 898 HB2 ASN 115 1HB ASN 115 -6.218 1.137 -12.930 899 HB3 ASN 115 2HB ASN 115 -7.658 1.589 -13.837 900 HD21 ASN 115 1HD2 ASN 115 -7.306 0.573 -16.261 901 HD22 ASN 115 2HD2 ASN 115 -7.129 -1.144 -16.206 902 H GLU 116 H GLU 116 -4.431 4.216 -15.357 903 HA GLU 116 HA GLU 116 -4.953 5.871 -13.147 904 HB2 GLU 116 1HB GLU 116 -3.925 7.653 -14.451 905 HB3 GLU 116 2HB GLU 116 -3.009 6.163 -14.623 906 HG2 GLU 116 1HG GLU 116 -5.092 6.822 -16.643 907 HG3 GLU 116 2HG GLU 116 -3.542 7.659 -16.696 908 H ASN 117 H ASN 117 -6.752 5.243 -16.021 909 HA ASN 117 HA ASN 117 -8.359 7.640 -15.830 910 HB2 ASN 117 1HB ASN 117 -9.729 6.294 -17.616 911 HB3 ASN 117 2HB ASN 117 -8.169 6.990 -18.046 912 HD21 ASN 117 1HD2 ASN 117 -6.334 5.603 -18.116 913 HD22 ASN 117 2HD2 ASN 117 -6.528 3.912 -18.411 914 H LYS 118 H LYS 118 -8.294 4.658 -14.300 915 HA LYS 118 HA LYS 118 -11.164 4.804 -13.653 916 HB2 LYS 118 1HB LYS 118 -9.370 2.413 -13.244 917 HB3 LYS 118 2HB LYS 118 -11.127 2.464 -13.180 918 HG2 LYS 118 1HG LYS 118 -9.527 3.006 -15.669 919 HG3 LYS 118 2HG LYS 118 -10.183 1.425 -15.239 920 HD2 LYS 118 1HD LYS 118 -12.439 2.669 -15.051 921 HD3 LYS 118 2HD LYS 118 -11.640 3.939 -15.981 922 HE2 LYS 118 1HE LYS 118 -11.037 2.148 -17.660 923 HE3 LYS 118 2HE LYS 118 -12.134 1.080 -16.786 924 HZ1 LYS 118 3HZ LYS 118 -12.740 3.097 -18.686 925 HZ2 LYS 118 1HZ LYS 118 -13.547 3.402 -17.230 926 HZ3 LYS 118 2HZ LYS 118 -13.755 1.920 -18.018 927 HA PRO 119 HA PRO 119 -10.253 5.800 -9.476 928 HB2 PRO 119 1HB PRO 119 -12.279 4.539 -8.181 929 HB3 PRO 119 2HB PRO 119 -12.519 5.996 -9.153 930 HG2 PRO 119 1HG PRO 119 -13.002 3.132 -9.880 931 HG3 PRO 119 2HG PRO 119 -14.010 4.555 -10.207 932 HD2 PRO 119 1HD PRO 119 -12.386 3.459 -12.077 933 HD3 PRO 119 2HD PRO 119 -12.734 5.198 -12.016 934 H VAL 120 H VAL 120 -9.136 5.032 -7.735 935 HA VAL 120 HA VAL 120 -8.365 2.211 -7.826 936 HB VAL 120 HB VAL 120 -7.157 4.447 -6.193 937 HG11 VAL 120 1HG1 VAL 120 -5.204 2.792 -6.175 938 HG12 VAL 120 2HG1 VAL 120 -6.587 2.436 -5.139 939 HG13 VAL 120 3HG1 VAL 120 -6.390 1.585 -6.672 940 HG21 VAL 120 3HG2 VAL 120 -6.897 3.772 -8.993 941 HG22 VAL 120 1HG2 VAL 120 -6.272 5.163 -8.106 942 HG23 VAL 120 2HG2 VAL 120 -5.349 3.660 -8.154 943 H HIS 121 H HIS 121 -9.498 0.863 -6.601 944 HA HIS 121 HA HIS 121 -10.964 1.789 -4.293 945 HB2 HIS 121 1HB HIS 121 -11.665 -0.031 -6.018 946 HB3 HIS 121 2HB HIS 121 -10.657 -1.101 -5.048 947 HD1 HIS 121 1HD HIS 121 -13.691 -1.559 -5.267 948 HD2 HIS 121 2HD HIS 121 -11.870 0.612 -2.228 949 HE1 HIS 121 1HE HIS 121 -15.303 -1.620 -3.338 950 H PHE 122 H PHE 122 -8.819 2.473 -3.304 951 HA PHE 122 HA PHE 122 -6.897 0.707 -2.383 952 HB2 PHE 122 1HB PHE 122 -7.948 3.274 -1.195 953 HB3 PHE 122 2HB PHE 122 -6.582 2.402 -0.508 954 HD1 PHE 122 2HD PHE 122 -4.869 1.642 -2.540 955 HD2 PHE 122 1HD PHE 122 -7.345 5.101 -2.422 956 HE1 PHE 122 2HE PHE 122 -3.354 2.775 -4.112 957 HE2 PHE 122 1HE PHE 122 -5.835 6.241 -3.995 958 HZ PHE 122 HZ PHE 122 -3.835 5.078 -4.841 959 H LYS 123 H LYS 123 -6.945 -0.940 -1.016 960 HA LYS 123 HA LYS 123 -9.010 -0.980 1.082 961 HB2 LYS 123 1HB LYS 123 -9.191 -2.591 -1.037 962 HB3 LYS 123 2HB LYS 123 -8.080 -3.559 -0.078 963 HG2 LYS 123 1HG LYS 123 -9.672 -3.592 1.762 964 HG3 LYS 123 2HG LYS 123 -10.783 -2.586 0.829 965 HD2 LYS 123 1HD LYS 123 -9.945 -4.917 -0.669 966 HD3 LYS 123 2HD LYS 123 -10.677 -5.368 0.873 967 HE2 LYS 123 1HE LYS 123 -12.551 -3.748 0.258 968 HE3 LYS 123 2HE LYS 123 -11.868 -3.755 -1.367 969 HZ1 LYS 123 3HZ LYS 123 -13.381 -5.433 -1.535 970 HZ2 LYS 123 1HZ LYS 123 -13.234 -5.903 0.084 971 HZ3 LYS 123 2HZ LYS 123 -12.037 -6.329 -1.033 972 H PHE 124 H PHE 124 -8.469 -2.531 2.866 973 HA PHE 124 HA PHE 124 -5.599 -2.951 3.230 974 HB2 PHE 124 1HB PHE 124 -7.349 -1.469 5.202 975 HB3 PHE 124 2HB PHE 124 -5.693 -1.982 5.507 976 HD1 PHE 124 2HD PHE 124 -7.798 0.236 3.437 977 HD2 PHE 124 1HD PHE 124 -3.862 -0.708 4.754 978 HE1 PHE 124 2HE PHE 124 -6.973 2.345 2.476 979 HE2 PHE 124 1HE PHE 124 -3.031 1.400 3.795 980 HZ PHE 124 HZ PHE 124 -4.588 2.929 2.653 981 H ARG 125 H ARG 125 -5.080 -4.709 4.466 982 HA ARG 125 HA ARG 125 -6.961 -6.011 6.180 983 HB2 ARG 125 1HB ARG 125 -7.919 -6.814 4.135 984 HB3 ARG 125 2HB ARG 125 -6.336 -7.230 3.491 985 HG2 ARG 125 1HG ARG 125 -6.190 -9.153 4.705 986 HG3 ARG 125 2HG ARG 125 -7.201 -8.534 6.012 987 HD2 ARG 125 1HD ARG 125 -8.689 -9.977 5.081 988 HD3 ARG 125 2HD ARG 125 -9.030 -8.563 4.085 989 HE ARG 125 HE ARG 125 -7.086 -9.844 2.705 990 HH11 ARG 125 1HH1 ARG 125 -10.145 -10.845 4.031 991 HH12 ARG 125 2HH1 ARG 125 -10.424 -12.051 2.820 992 HH21 ARG 125 1HH2 ARG 125 -7.442 -11.429 1.103 993 HH22 ARG 125 2HH2 ARG 125 -8.886 -12.383 1.155 994 H ASP 126 H ASP 126 -5.861 -7.047 7.716 995 HA ASP 126 HA ASP 126 -2.990 -7.364 7.406 996 HB2 ASP 126 1HB ASP 126 -3.008 -7.869 9.817 997 HB3 ASP 126 2HB ASP 126 -3.833 -6.353 9.464 998 H ARG 127 H ARG 127 -1.872 -9.318 7.774 999 HA ARG 127 HA ARG 127 -3.455 -11.694 7.098 1000 HB2 ARG 127 1HB ARG 127 -0.610 -10.891 6.653 1001 HB3 ARG 127 2HB ARG 127 -1.006 -12.603 6.735 1002 HG2 ARG 127 1HG ARG 127 -2.402 -10.691 4.884 1003 HG3 ARG 127 2HG ARG 127 -0.948 -11.586 4.435 1004 HD2 ARG 127 1HD ARG 127 -2.437 -13.113 3.705 1005 HD3 ARG 127 2HD ARG 127 -2.460 -13.593 5.401 1006 HE ARG 127 HE ARG 127 -4.370 -11.584 5.026 1007 HH11 ARG 127 1HH1 ARG 127 -3.778 -14.890 4.107 1008 HH12 ARG 127 2HH1 ARG 127 -5.458 -15.290 3.972 1009 HH21 ARG 127 1HH2 ARG 127 -6.585 -12.099 4.852 1010 HH22 ARG 127 2HH2 ARG 127 -7.054 -13.702 4.396 1011 H LEU 128 H LEU 128 -4.054 -11.446 9.518 1012 HA LEU 128 HA LEU 128 -2.213 -13.156 11.047 1013 HB2 LEU 128 1HB LEU 128 -3.305 -10.520 11.731 1014 HB3 LEU 128 2HB LEU 128 -3.479 -11.735 12.996 1015 HG LEU 128 HG LEU 128 -0.897 -12.091 12.483 1016 HD11 LEU 128 1HD1 LEU 128 0.091 -9.778 12.161 1017 HD12 LEU 128 2HD1 LEU 128 -1.498 -9.292 11.569 1018 HD13 LEU 128 3HD1 LEU 128 -0.592 -10.552 10.730 1019 HD21 LEU 128 3HD2 LEU 128 -2.324 -10.175 14.262 1020 HD22 LEU 128 1HD2 LEU 128 -0.562 -10.146 14.215 1021 HD23 LEU 128 2HD2 LEU 128 -1.407 -11.626 14.668 1022 H LEU 129 H LEU 129 -5.535 -11.882 10.910 1023 HA LEU 129 HA LEU 129 -6.706 -14.458 10.976 1024 HB2 LEU 129 1HB LEU 129 -5.859 -13.927 13.403 1025 HB3 LEU 129 2HB LEU 129 -7.318 -12.940 13.469 1026 HG LEU 129 HG LEU 129 -7.676 -15.133 14.472 1027 HD11 LEU 129 1HD1 LEU 129 -9.464 -13.893 13.159 1028 HD12 LEU 129 2HD1 LEU 129 -9.731 -15.613 13.443 1029 HD13 LEU 129 3HD1 LEU 129 -9.168 -15.056 11.867 1030 HD21 LEU 129 3HD2 LEU 129 -7.223 -17.125 13.474 1031 HD22 LEU 129 1HD2 LEU 129 -5.984 -16.144 12.690 1032 HD23 LEU 129 2HD2 LEU 129 -7.492 -16.500 11.846 1033 H SER 130 H SER 130 -7.830 -13.574 9.227 1034 HA SER 130 HA SER 130 -10.238 -12.175 9.948 1035 HB2 SER 130 1HB SER 130 -9.538 -10.551 7.861 1036 HB3 SER 130 2HB SER 130 -9.381 -10.115 9.563 1037 HG SER 130 HG SER 130 -7.342 -11.417 8.085 1038 H LEU 131 H LEU 131 -11.849 -12.297 8.350 1039 HA LEU 131 HA LEU 131 -11.222 -13.603 5.830 1040 HB2 LEU 131 1HB LEU 131 -13.188 -15.219 6.338 1041 HB3 LEU 131 2HB LEU 131 -11.571 -15.583 6.938 1042 HG LEU 131 HG LEU 131 -13.427 -14.115 8.740 1043 HD11 LEU 131 1HD1 LEU 131 -13.702 -16.955 9.096 1044 HD12 LEU 131 2HD1 LEU 131 -14.257 -16.474 7.493 1045 HD13 LEU 131 3HD1 LEU 131 -14.948 -15.718 8.929 1046 HD21 LEU 131 3HD2 LEU 131 -12.023 -14.821 10.348 1047 HD22 LEU 131 1HD2 LEU 131 -10.909 -15.073 9.003 1048 HD23 LEU 131 2HD2 LEU 131 -11.846 -16.426 9.637 1049 H ASP 132 H ASP 132 -13.713 -12.315 7.988 1050 HA ASP 132 HA ASP 132 -15.718 -11.958 6.048 1051 HB2 ASP 132 1HB ASP 132 -15.508 -11.563 8.778 1052 HB3 ASP 132 2HB ASP 132 -15.712 -9.930 8.151 1053 H GLU 133 H GLU 133 -16.516 -9.359 6.086 1054 HA GLU 133 HA GLU 133 -15.140 -8.193 3.998 1055 HB2 GLU 133 1HB GLU 133 -16.832 -6.870 6.123 1056 HB3 GLU 133 2HB GLU 133 -16.301 -6.075 4.648 1057 HG2 GLU 133 1HG GLU 133 -17.602 -8.611 4.121 1058 HG3 GLU 133 2HG GLU 133 -18.639 -7.490 5.002 1059 HA PRO 134 HA PRO 134 -11.526 -6.310 5.626 1060 HB2 PRO 134 1HB PRO 134 -11.345 -4.083 4.083 1061 HB3 PRO 134 2HB PRO 134 -11.011 -5.707 3.470 1062 HG2 PRO 134 1HG PRO 134 -13.492 -4.052 3.201 1063 HG3 PRO 134 2HG PRO 134 -12.670 -5.044 1.981 1064 HD2 PRO 134 1HD PRO 134 -14.876 -5.891 3.302 1065 HD3 PRO 134 2HD PRO 134 -13.600 -7.002 2.764 1066 H ILE 135 H ILE 135 -10.678 -4.085 6.373 1067 HA ILE 135 HA ILE 135 -12.724 -2.922 8.116 1068 HB ILE 135 HB ILE 135 -10.620 -3.788 9.132 1069 HG12 ILE 135 1HG1 ILE 135 -10.484 -0.878 9.655 1070 HG13 ILE 135 2HG1 ILE 135 -12.076 -1.611 9.818 1071 HG21 ILE 135 1HG2 ILE 135 -9.324 -1.448 7.740 1072 HG22 ILE 135 2HG2 ILE 135 -8.549 -2.574 8.852 1073 HG23 ILE 135 3HG2 ILE 135 -9.121 -3.139 7.283 1074 HD11 ILE 135 3HD1 ILE 135 -11.310 -1.855 11.940 1075 HD12 ILE 135 1HD1 ILE 135 -10.731 -3.370 11.246 1076 HD13 ILE 135 2HD1 ILE 135 -9.627 -2.008 11.436 1077 H ALA 136 H ALA 136 -10.519 -2.116 5.533 1078 HA ALA 136 HA ALA 136 -11.729 0.560 5.408 1079 HB1 ALA 136 1HB ALA 136 -8.864 -0.130 5.622 1080 HB2 ALA 136 2HB ALA 136 -9.289 1.137 4.471 1081 HB3 ALA 136 3HB ALA 136 -9.733 1.304 6.170 1082 H SER 137 H SER 137 -12.308 1.226 3.409 1083 HA SER 137 HA SER 137 -11.159 0.263 1.002 1084 HB2 SER 137 1HB SER 137 -12.890 -1.141 0.159 1085 HB3 SER 137 2HB SER 137 -12.527 -1.735 1.779 1086 HG SER 137 HG SER 137 -14.780 -0.366 0.840 1087 H GLU 138 H GLU 138 -11.559 1.678 -0.592 1088 HA GLU 138 HA GLU 138 -13.974 3.024 -1.043 1089 HB2 GLU 138 1HB GLU 138 -13.578 4.255 0.973 1090 HB3 GLU 138 2HB GLU 138 -11.910 4.575 0.519 1091 HG2 GLU 138 1HG GLU 138 -12.598 6.050 -1.230 1092 HG3 GLU 138 2HG GLU 138 -14.290 5.614 -0.997 1093 H GLU 139 H GLU 139 -13.962 3.977 -3.020 1094 HA GLU 139 HA GLU 139 -11.589 3.657 -4.619 1095 HB2 GLU 139 1HB GLU 139 -14.445 4.271 -5.109 1096 HB3 GLU 139 2HB GLU 139 -13.303 4.909 -6.283 1097 HG2 GLU 139 1HG GLU 139 -13.637 2.918 -7.264 1098 HG3 GLU 139 2HG GLU 139 -12.403 2.394 -6.119 1099 H ILE 140 H ILE 140 -10.179 5.179 -5.238 1100 HA ILE 140 HA ILE 140 -10.877 8.002 -4.984 1101 HB ILE 140 HB ILE 140 -8.440 6.809 -3.657 1102 HG12 ILE 140 1HG1 ILE 140 -10.883 8.157 -2.485 1103 HG13 ILE 140 2HG1 ILE 140 -10.503 6.441 -2.381 1104 HG21 ILE 140 1HG2 ILE 140 -9.351 9.678 -3.839 1105 HG22 ILE 140 2HG2 ILE 140 -7.971 9.091 -2.912 1106 HG23 ILE 140 3HG2 ILE 140 -7.965 8.975 -4.671 1107 HD11 ILE 140 3HD1 ILE 140 -8.346 7.204 -1.221 1108 HD12 ILE 140 1HD1 ILE 140 -9.176 8.747 -1.020 1109 HD13 ILE 140 2HD1 ILE 140 -9.860 7.280 -0.321 1110 H THR 141 H THR 141 -10.628 8.529 -7.078 1111 HA THR 141 HA THR 141 -8.552 7.446 -8.726 1112 HB THR 141 HB THR 141 -10.611 8.040 -9.801 1113 HG1 THR 141 1HG THR 141 -9.771 9.324 -11.457 1114 HG21 THR 141 3HG2 THR 141 -10.559 10.890 -9.734 1115 HG22 THR 141 1HG2 THR 141 -10.524 10.289 -8.077 1116 HG23 THR 141 2HG2 THR 141 -11.821 9.798 -9.167 1117 H ILE 142 H ILE 142 -6.500 8.058 -8.649 1118 HA ILE 142 HA ILE 142 -5.827 10.724 -7.643 1119 HB ILE 142 HB ILE 142 -3.982 8.397 -8.195 1120 HG12 ILE 142 1HG1 ILE 142 -5.057 9.370 -5.541 1121 HG13 ILE 142 2HG1 ILE 142 -5.673 7.965 -6.402 1122 HG21 ILE 142 1HG2 ILE 142 -2.333 9.847 -7.885 1123 HG22 ILE 142 2HG2 ILE 142 -3.497 11.149 -7.646 1124 HG23 ILE 142 3HG2 ILE 142 -2.951 10.191 -6.270 1125 HD11 ILE 142 3HD1 ILE 142 -3.297 7.067 -6.298 1126 HD12 ILE 142 1HD1 ILE 142 -2.995 8.340 -5.116 1127 HD13 ILE 142 2HD1 ILE 142 -4.217 7.108 -4.794 1128 H THR 143 H THR 143 -4.890 12.264 -8.864 1129 HA THR 143 HA THR 143 -3.443 11.804 -11.243 1130 HB THR 143 HB THR 143 -5.437 13.236 -12.494 1131 HG1 THR 143 1HG THR 143 -6.968 12.745 -10.914 1132 HG21 THR 143 3HG2 THR 143 -4.668 11.689 -13.925 1133 HG22 THR 143 1HG2 THR 143 -5.927 10.643 -13.271 1134 HG23 THR 143 2HG2 THR 143 -4.287 10.555 -12.629 Start of MODEL 8 1 H1 MET 1 H MET 1 -23.738 -1.062 17.069 2 HA MET 1 HA MET 1 -23.104 0.026 14.494 3 HB2 MET 1 1HB MET 1 -25.340 1.051 15.030 4 HB3 MET 1 2HB MET 1 -24.582 1.829 16.413 5 HG2 MET 1 1HG MET 1 -23.565 3.379 15.154 6 HG3 MET 1 2HG MET 1 -23.212 2.243 13.854 7 HE1 MET 1 3HE MET 1 -25.638 5.579 13.009 8 HE2 MET 1 1HE MET 1 -25.052 5.379 14.661 9 HE3 MET 1 2HE MET 1 -23.941 5.198 13.304 10 H ASP 2 H ASP 2 -21.058 0.672 14.575 11 HA ASP 2 HA ASP 2 -19.025 1.324 15.359 12 HB2 ASP 2 1HB ASP 2 -20.575 2.734 17.538 13 HB3 ASP 2 2HB ASP 2 -18.949 3.112 16.976 14 H GLU 3 H GLU 3 -19.279 -1.149 15.959 15 HA GLU 3 HA GLU 3 -18.564 -1.391 18.807 16 HB2 GLU 3 1HB GLU 3 -19.457 -3.738 18.665 17 HB3 GLU 3 2HB GLU 3 -20.673 -2.473 18.556 18 HG2 GLU 3 1HG GLU 3 -21.269 -3.048 16.480 19 HG3 GLU 3 2HG GLU 3 -19.606 -3.342 15.974 20 H VAL 4 H VAL 4 -16.406 -0.899 17.784 21 HA VAL 4 HA VAL 4 -14.311 -1.570 17.197 22 HB VAL 4 HB VAL 4 -15.172 -3.466 18.916 23 HG11 VAL 4 1HG1 VAL 4 -15.194 -5.593 18.091 24 HG12 VAL 4 2HG1 VAL 4 -15.821 -4.733 16.684 25 HG13 VAL 4 3HG1 VAL 4 -14.122 -5.203 16.747 26 HG21 VAL 4 3HG2 VAL 4 -12.947 -3.932 19.260 27 HG22 VAL 4 1HG2 VAL 4 -12.576 -3.964 17.536 28 HG23 VAL 4 2HG2 VAL 4 -12.831 -2.422 18.354 29 H LEU 5 H LEU 5 -13.080 -3.157 15.697 30 HA LEU 5 HA LEU 5 -14.703 -3.517 13.266 31 HB2 LEU 5 1HB LEU 5 -11.754 -2.965 13.554 32 HB3 LEU 5 2HB LEU 5 -12.579 -3.269 12.026 33 HG LEU 5 HG LEU 5 -13.262 -0.955 13.829 34 HD11 LEU 5 1HD1 LEU 5 -11.566 -0.743 11.370 35 HD12 LEU 5 2HD1 LEU 5 -10.848 -1.027 12.955 36 HD13 LEU 5 3HD1 LEU 5 -11.799 0.430 12.666 37 HD21 LEU 5 3HD2 LEU 5 -13.766 -1.394 10.890 38 HD22 LEU 5 1HD2 LEU 5 -14.362 -0.070 11.892 39 HD23 LEU 5 2HD2 LEU 5 -14.947 -1.713 12.162 40 H ALA 6 H ALA 6 -15.225 -5.591 13.030 41 HA ALA 6 HA ALA 6 -14.957 -7.824 12.620 42 HB1 ALA 6 1HB ALA 6 -12.951 -8.613 11.900 43 HB2 ALA 6 2HB ALA 6 -12.610 -6.885 11.803 44 HB3 ALA 6 3HB ALA 6 -12.048 -7.819 13.190 45 H THR 7 H THR 7 -12.544 -6.964 15.110 46 HA THR 7 HA THR 7 -13.944 -7.875 17.319 47 HB THR 7 HB THR 7 -14.005 -10.098 16.559 48 HG1 THR 7 1HG THR 7 -13.053 -9.760 18.722 49 HG21 THR 7 3HG2 THR 7 -12.664 -10.628 14.848 50 HG22 THR 7 1HG2 THR 7 -11.432 -10.982 16.057 51 HG23 THR 7 2HG2 THR 7 -11.484 -9.395 15.289 52 H SER 8 H SER 8 -12.748 -5.905 17.832 53 HA SER 8 HA SER 8 -10.999 -4.715 18.699 54 HB2 SER 8 1HB SER 8 -11.563 -6.166 20.596 55 HB3 SER 8 2HB SER 8 -10.464 -7.404 19.988 56 HG SER 8 HG SER 8 -9.767 -5.713 21.679 57 H ILE 9 H ILE 9 -10.477 -5.847 16.123 58 HA ILE 9 HA ILE 9 -7.831 -6.950 16.098 59 HB ILE 9 HB ILE 9 -9.447 -5.769 13.835 60 HG12 ILE 9 1HG1 ILE 9 -10.579 -7.681 14.803 61 HG13 ILE 9 2HG1 ILE 9 -9.875 -8.153 13.260 62 HG21 ILE 9 1HG2 ILE 9 -7.630 -7.689 12.894 63 HG22 ILE 9 2HG2 ILE 9 -7.601 -5.949 12.617 64 HG23 ILE 9 3HG2 ILE 9 -6.719 -6.638 13.979 65 HD11 ILE 9 3HD1 ILE 9 -7.875 -8.891 14.825 66 HD12 ILE 9 1HD1 ILE 9 -9.178 -9.003 16.007 67 HD13 ILE 9 2HD1 ILE 9 -9.260 -9.936 14.513 68 H GLY 10 H GLY 10 -8.969 -3.995 14.465 69 HA2 GLY 10 1HA GLY 10 -6.819 -2.453 15.684 70 HA3 GLY 10 2HA GLY 10 -6.704 -2.693 13.947 71 H THR 11 H THR 11 -6.860 -0.427 13.642 72 HA THR 11 HA THR 11 -9.614 0.490 13.505 73 HB THR 11 HB THR 11 -8.565 2.790 14.445 74 HG1 THR 11 1HG THR 11 -6.990 2.453 15.849 75 HG21 THR 11 3HG2 THR 11 -10.262 2.530 15.866 76 HG22 THR 11 1HG2 THR 11 -9.413 1.237 16.712 77 HG23 THR 11 2HG2 THR 11 -10.416 0.864 15.310 78 H TYR 12 H TYR 12 -9.979 1.829 11.806 79 HA TYR 12 HA TYR 12 -7.627 2.799 10.320 80 HB2 TYR 12 1HB TYR 12 -8.459 0.957 9.060 81 HB3 TYR 12 2HB TYR 12 -10.126 1.482 9.260 82 HD1 TYR 12 2HD TYR 12 -6.991 3.148 8.073 83 HD2 TYR 12 1HD TYR 12 -11.047 2.150 7.259 84 HE1 TYR 12 2HE TYR 12 -6.857 4.366 5.941 85 HE2 TYR 12 1HE TYR 12 -10.923 3.364 5.124 86 HH TYR 12 HH TYR 12 -9.674 4.975 3.991 87 H GLU 13 H GLU 13 -7.699 4.915 10.900 88 HA GLU 13 HA GLU 13 -9.535 6.620 9.619 89 HB2 GLU 13 1HB GLU 13 -10.723 7.550 11.533 90 HB3 GLU 13 2HB GLU 13 -11.067 5.833 11.372 91 HG2 GLU 13 1HG GLU 13 -9.229 5.476 13.100 92 HG3 GLU 13 2HG GLU 13 -9.340 7.210 13.398 93 H ASN 14 H ASN 14 -9.305 8.950 10.523 94 HA ASN 14 HA ASN 14 -7.926 10.726 10.866 95 HB2 ASN 14 1HB ASN 14 -6.334 8.954 12.716 96 HB3 ASN 14 2HB ASN 14 -6.553 10.699 12.804 97 HD21 ASN 14 1HD2 ASN 14 -7.076 8.555 14.761 98 HD22 ASN 14 2HD2 ASN 14 -8.732 8.745 15.217 99 H ARG 15 H ARG 15 -7.330 8.994 8.678 100 HA ARG 15 HA ARG 15 -5.715 8.551 7.135 101 HB2 ARG 15 1HB ARG 15 -5.508 11.153 7.753 102 HB3 ARG 15 2HB ARG 15 -3.906 10.624 8.250 103 HG2 ARG 15 1HG ARG 15 -3.848 11.433 5.979 104 HG3 ARG 15 2HG ARG 15 -3.533 9.697 6.008 105 HD2 ARG 15 1HD ARG 15 -5.105 10.508 4.205 106 HD3 ARG 15 2HD ARG 15 -5.701 9.193 5.217 107 HE ARG 15 HE ARG 15 -7.336 10.588 6.013 108 HH11 ARG 15 1HH1 ARG 15 -4.913 12.472 4.372 109 HH12 ARG 15 2HH1 ARG 15 -5.831 13.941 4.426 110 HH21 ARG 15 1HH2 ARG 15 -8.555 12.514 6.092 111 HH22 ARG 15 2HH2 ARG 15 -7.902 13.964 5.406 112 H THR 16 H THR 16 -5.581 6.909 9.358 113 HA THR 16 HA THR 16 -2.851 6.031 9.209 114 HB THR 16 HB THR 16 -3.925 6.967 11.876 115 HG1 THR 16 1HG THR 16 -2.244 8.445 11.762 116 HG21 THR 16 3HG2 THR 16 -1.347 5.537 11.218 117 HG22 THR 16 1HG2 THR 16 -2.710 4.856 12.105 118 HG23 THR 16 2HG2 THR 16 -1.787 6.191 12.796 119 H LEU 17 H LEU 17 -2.604 3.882 9.774 120 HA LEU 17 HA LEU 17 -5.095 2.477 10.476 121 HB2 LEU 17 1HB LEU 17 -3.838 2.137 8.206 122 HB3 LEU 17 2HB LEU 17 -2.776 1.119 9.177 123 HG LEU 17 HG LEU 17 -5.291 0.194 9.823 124 HD11 LEU 17 1HD1 LEU 17 -6.640 1.043 8.227 125 HD12 LEU 17 2HD1 LEU 17 -5.965 -0.275 7.269 126 HD13 LEU 17 3HD1 LEU 17 -5.310 1.355 7.111 127 HD21 LEU 17 3HD2 LEU 17 -4.622 -1.784 8.718 128 HD22 LEU 17 1HD2 LEU 17 -3.139 -1.024 9.295 129 HD23 LEU 17 2HD2 LEU 17 -3.590 -0.898 7.595 130 H LEU 18 H LEU 18 -4.813 0.436 11.681 131 HA LEU 18 HA LEU 18 -2.383 0.242 13.277 132 HB2 LEU 18 1HB LEU 18 -3.628 1.695 14.657 133 HB3 LEU 18 2HB LEU 18 -5.119 0.793 14.388 134 HG LEU 18 HG LEU 18 -4.097 -1.099 15.682 135 HD11 LEU 18 1HD1 LEU 18 -2.248 0.039 17.283 136 HD12 LEU 18 2HD1 LEU 18 -1.869 0.820 15.748 137 HD13 LEU 18 3HD1 LEU 18 -1.862 -0.939 15.868 138 HD21 LEU 18 3HD2 LEU 18 -4.898 1.535 16.747 139 HD22 LEU 18 1HD2 LEU 18 -4.129 0.430 17.887 140 HD23 LEU 18 2HD2 LEU 18 -5.588 -0.065 17.028 141 H VAL 19 H VAL 19 -1.897 -1.810 13.866 142 HA VAL 19 HA VAL 19 -3.925 -3.880 13.867 143 HB VAL 19 HB VAL 19 -2.496 -5.319 12.317 144 HG11 VAL 19 1HG1 VAL 19 -4.724 -4.102 11.828 145 HG12 VAL 19 2HG1 VAL 19 -3.730 -3.016 10.856 146 HG13 VAL 19 3HG1 VAL 19 -3.786 -4.738 10.478 147 HG21 VAL 19 3HG2 VAL 19 -0.820 -3.119 12.389 148 HG22 VAL 19 1HG2 VAL 19 -0.717 -4.477 11.268 149 HG23 VAL 19 2HG2 VAL 19 -1.586 -3.015 10.804 150 HA PRO 20 HA PRO 20 -1.336 -5.650 16.938 151 HB2 PRO 20 1HB PRO 20 -1.878 -8.293 16.636 152 HB3 PRO 20 2HB PRO 20 -3.030 -7.151 17.336 153 HG2 PRO 20 1HG PRO 20 -2.897 -8.239 14.550 154 HG3 PRO 20 2HG PRO 20 -4.312 -8.002 15.592 155 HD2 PRO 20 1HD PRO 20 -3.652 -6.274 13.615 156 HD3 PRO 20 2HD PRO 20 -4.441 -5.750 15.117 157 H ASP 21 H ASP 21 -0.815 -6.221 13.641 158 HA ASP 21 HA ASP 21 1.542 -7.888 14.071 159 HB2 ASP 21 1HB ASP 21 -0.142 -7.164 11.736 160 HB3 ASP 21 2HB ASP 21 1.564 -7.462 11.417 161 H GLY 22 H GLY 22 0.665 -4.688 12.823 162 HA2 GLY 22 1HA GLY 22 3.366 -3.765 13.455 163 HA3 GLY 22 2HA GLY 22 2.835 -3.597 11.788 164 H ARG 23 H ARG 23 2.866 -1.369 11.756 165 HA ARG 23 HA ARG 23 0.551 -0.086 12.885 166 HB2 ARG 23 1HB ARG 23 2.611 -0.081 14.581 167 HB3 ARG 23 2HB ARG 23 3.086 1.298 13.599 168 HG2 ARG 23 1HG ARG 23 0.403 1.026 14.935 169 HG3 ARG 23 2HG ARG 23 1.782 1.878 15.634 170 HD2 ARG 23 1HD ARG 23 1.546 2.888 13.048 171 HD3 ARG 23 2HD ARG 23 -0.112 2.755 13.635 172 HE ARG 23 HE ARG 23 1.818 4.662 14.445 173 HH11 ARG 23 1HH1 ARG 23 -0.785 2.697 15.663 174 HH12 ARG 23 2HH1 ARG 23 -1.172 3.782 16.957 175 HH21 ARG 23 1HH2 ARG 23 1.318 6.098 16.145 176 HH22 ARG 23 2HH2 ARG 23 0.024 5.717 17.230 177 H LEU 24 H LEU 24 -0.048 0.471 10.826 178 HA LEU 24 HA LEU 24 1.822 1.899 9.116 179 HB2 LEU 24 1HB LEU 24 -0.873 0.682 8.774 180 HB3 LEU 24 2HB LEU 24 -0.379 1.960 7.666 181 HG LEU 24 HG LEU 24 1.759 0.162 7.707 182 HD11 LEU 24 1HD1 LEU 24 1.009 -1.952 7.758 183 HD12 LEU 24 2HD1 LEU 24 -0.514 -1.543 6.970 184 HD13 LEU 24 3HD1 LEU 24 -0.315 -1.267 8.700 185 HD21 LEU 24 3HD2 LEU 24 -0.453 0.787 5.781 186 HD22 LEU 24 1HD2 LEU 24 0.800 -0.391 5.390 187 HD23 LEU 24 2HD2 LEU 24 1.239 1.284 5.729 188 H ALA 25 H ALA 25 1.099 3.915 8.037 189 HA ALA 25 HA ALA 25 -0.924 5.520 9.270 190 HB1 ALA 25 1HB ALA 25 1.186 5.514 10.823 191 HB2 ALA 25 2HB ALA 25 1.800 6.673 9.644 192 HB3 ALA 25 3HB ALA 25 0.303 7.009 10.514 193 H LEU 26 H LEU 26 -1.700 6.011 7.269 194 HA LEU 26 HA LEU 26 -0.348 6.522 4.944 195 HB2 LEU 26 1HB LEU 26 -2.873 7.821 5.953 196 HB3 LEU 26 2HB LEU 26 -2.298 7.924 4.290 197 HG LEU 26 HG LEU 26 -2.625 5.192 5.342 198 HD11 LEU 26 1HD1 LEU 26 -5.034 5.186 5.124 199 HD12 LEU 26 2HD1 LEU 26 -5.034 6.915 4.781 200 HD13 LEU 26 3HD1 LEU 26 -4.545 6.332 6.372 201 HD21 LEU 26 3HD2 LEU 26 -3.901 5.179 3.047 202 HD22 LEU 26 1HD2 LEU 26 -2.138 5.210 3.102 203 HD23 LEU 26 2HD2 LEU 26 -3.037 6.698 2.804 204 H THR 27 H THR 27 1.132 7.961 4.385 205 HA THR 27 HA THR 27 1.344 10.454 5.922 206 HB THR 27 HB THR 27 3.599 10.529 4.534 207 HG1 THR 27 1HG THR 27 3.350 7.732 4.813 208 HG21 THR 27 3HG2 THR 27 3.109 8.747 6.922 209 HG22 THR 27 1HG2 THR 27 3.522 10.461 6.948 210 HG23 THR 27 2HG2 THR 27 4.699 9.278 6.377 211 H ALA 28 H ALA 28 -0.654 10.122 3.861 212 HA ALA 28 HA ALA 28 -1.592 11.425 2.238 213 HB1 ALA 28 1HB ALA 28 0.840 13.160 2.117 214 HB2 ALA 28 2HB ALA 28 -0.858 13.592 1.904 215 HB3 ALA 28 3HB ALA 28 -0.234 13.230 3.514 216 H LEU 29 H LEU 29 -1.614 9.977 0.583 217 HA LEU 29 HA LEU 29 0.628 9.092 -0.859 218 HB2 LEU 29 1HB LEU 29 -2.129 9.272 -2.025 219 HB3 LEU 29 2HB LEU 29 -0.879 8.070 -2.337 220 HG LEU 29 HG LEU 29 -1.586 7.951 0.423 221 HD11 LEU 29 1HD1 LEU 29 -3.700 8.876 0.057 222 HD12 LEU 29 2HD1 LEU 29 -3.969 7.134 -0.009 223 HD13 LEU 29 3HD1 LEU 29 -3.884 8.070 -1.502 224 HD21 LEU 29 3HD2 LEU 29 -1.445 6.210 -1.945 225 HD22 LEU 29 1HD2 LEU 29 -2.551 5.681 -0.677 226 HD23 LEU 29 2HD2 LEU 29 -0.848 5.953 -0.304 227 H HIS 30 H HIS 30 1.547 9.732 -2.775 228 HA HIS 30 HA HIS 30 0.603 12.277 -3.915 229 HB2 HIS 30 1HB HIS 30 3.499 11.483 -3.549 230 HB3 HIS 30 2HB HIS 30 2.906 12.998 -4.223 231 HD1 HIS 30 1HD HIS 30 0.792 13.707 -2.098 232 HD2 HIS 30 2HD HIS 30 4.622 12.352 -1.226 233 HE1 HIS 30 1HE HIS 30 1.279 14.519 0.232 234 H LYS 31 H LYS 31 0.733 12.498 -6.126 235 HA LYS 31 HA LYS 31 1.330 10.022 -7.595 236 HB2 LYS 31 1HB LYS 31 -0.166 10.817 -9.315 237 HB3 LYS 31 2HB LYS 31 -0.983 10.910 -7.761 238 HG2 LYS 31 1HG LYS 31 -0.968 13.204 -7.732 239 HG3 LYS 31 2HG LYS 31 0.438 13.315 -8.793 240 HD2 LYS 31 1HD LYS 31 -2.301 12.389 -9.657 241 HD3 LYS 31 2HD LYS 31 -1.674 14.023 -9.882 242 HE2 LYS 31 1HE LYS 31 -0.690 11.462 -11.114 243 HE3 LYS 31 2HE LYS 31 -1.330 12.888 -11.930 244 HZ1 LYS 31 3HZ LYS 31 0.923 13.127 -12.220 245 HZ2 LYS 31 1HZ LYS 31 1.313 12.485 -10.704 246 HZ3 LYS 31 2HZ LYS 31 0.681 14.049 -10.822 247 H GLY 32 H GLY 32 2.187 10.318 -9.830 248 HA2 GLY 32 1HA GLY 32 3.617 12.757 -10.403 249 HA3 GLY 32 2HA GLY 32 4.661 11.426 -9.925 250 H LYS 33 H LYS 33 5.680 11.129 -11.864 251 HA LYS 33 HA LYS 33 3.977 10.150 -14.059 252 HB2 LYS 33 1HB LYS 33 6.191 12.141 -14.099 253 HB3 LYS 33 2HB LYS 33 6.072 11.031 -15.458 254 HG2 LYS 33 1HG LYS 33 3.807 11.769 -15.900 255 HG3 LYS 33 2HG LYS 33 3.860 12.832 -14.492 256 HD2 LYS 33 1HD LYS 33 5.952 13.839 -15.667 257 HD3 LYS 33 2HD LYS 33 5.282 13.081 -17.113 258 HE2 LYS 33 1HE LYS 33 4.467 15.308 -17.069 259 HE3 LYS 33 2HE LYS 33 3.123 14.268 -16.600 260 HZ1 LYS 33 3HZ LYS 33 3.441 14.846 -14.324 261 HZ2 LYS 33 1HZ LYS 33 3.377 16.285 -15.211 262 HZ3 LYS 33 2HZ LYS 33 4.865 15.693 -14.666 263 H ASP 34 H ASP 34 5.066 8.645 -15.528 264 HA ASP 34 HA ASP 34 7.332 7.234 -14.298 265 HB2 ASP 34 1HB ASP 34 6.323 5.117 -14.539 266 HB3 ASP 34 2HB ASP 34 5.060 6.136 -13.855 267 H TYR 35 H TYR 35 7.264 5.135 -16.276 268 HA TYR 35 HA TYR 35 8.959 6.167 -18.204 269 HB2 TYR 35 1HB TYR 35 8.314 4.062 -19.521 270 HB3 TYR 35 2HB TYR 35 8.992 3.831 -17.913 271 HD1 TYR 35 1HD TYR 35 5.823 3.866 -19.833 272 HD2 TYR 35 2HD TYR 35 7.767 2.717 -16.227 273 HE1 TYR 35 1HE TYR 35 3.854 2.532 -19.203 274 HE2 TYR 35 2HE TYR 35 5.805 1.380 -15.588 275 HH TYR 35 HH TYR 35 2.823 1.674 -17.057 276 H GLN 36 H GLN 36 5.464 5.945 -18.194 277 HA GLN 36 HA GLN 36 5.359 7.025 -20.919 278 HB2 GLN 36 1HB GLN 36 3.467 5.491 -19.210 279 HB3 GLN 36 2HB GLN 36 2.782 6.615 -20.376 280 HG2 GLN 36 1HG GLN 36 4.702 5.213 -21.807 281 HG3 GLN 36 2HG GLN 36 3.932 4.001 -20.784 282 HE21 GLN 36 1HE2 GLN 36 1.518 4.054 -20.792 283 HE22 GLN 36 2HE2 GLN 36 0.736 4.346 -22.305 284 H GLY 37 H GLY 37 6.049 8.506 -18.381 285 HA2 GLY 37 1HA GLY 37 5.366 10.403 -17.207 286 HA3 GLY 37 2HA GLY 37 5.249 11.000 -18.855 287 H LYS 38 H LYS 38 3.309 8.934 -16.687 288 HA LYS 38 HA LYS 38 1.134 10.684 -16.501 289 HB2 LYS 38 1HB LYS 38 1.232 9.106 -18.945 290 HB3 LYS 38 2HB LYS 38 -0.231 8.795 -18.020 291 HG2 LYS 38 1HG LYS 38 -0.993 10.958 -18.238 292 HG3 LYS 38 2HG LYS 38 0.622 11.608 -18.533 293 HD2 LYS 38 1HD LYS 38 -0.886 9.824 -20.443 294 HD3 LYS 38 2HD LYS 38 -0.823 11.584 -20.553 295 HE2 LYS 38 1HE LYS 38 1.704 11.339 -20.615 296 HE3 LYS 38 2HE LYS 38 1.430 9.615 -20.861 297 HZ1 LYS 38 3HZ LYS 38 0.762 11.862 -22.650 298 HZ2 LYS 38 1HZ LYS 38 -0.058 10.388 -22.781 299 HZ3 LYS 38 2HZ LYS 38 1.618 10.445 -22.997 300 HA PRO 39 HA PRO 39 -0.376 6.379 -14.993 301 HB2 PRO 39 1HB PRO 39 1.015 4.182 -15.771 302 HB3 PRO 39 2HB PRO 39 -0.317 4.859 -16.715 303 HG2 PRO 39 1HG PRO 39 2.634 5.200 -17.087 304 HG3 PRO 39 2HG PRO 39 1.378 4.916 -18.306 305 HD2 PRO 39 1HD PRO 39 2.414 7.371 -17.826 306 HD3 PRO 39 2HD PRO 39 0.731 7.128 -18.337 307 H MET 40 H MET 40 0.635 7.460 -13.150 308 HA MET 40 HA MET 40 2.609 5.735 -11.902 309 HB2 MET 40 1HB MET 40 3.907 7.517 -13.090 310 HB3 MET 40 2HB MET 40 3.093 8.712 -12.089 311 HG2 MET 40 1HG MET 40 5.270 8.256 -11.190 312 HG3 MET 40 2HG MET 40 4.039 7.648 -10.087 313 HE1 MET 40 3HE MET 40 4.868 6.256 -8.784 314 HE2 MET 40 1HE MET 40 4.393 4.629 -9.272 315 HE3 MET 40 2HE MET 40 6.098 5.017 -9.042 316 H PHE 41 H PHE 41 2.705 5.965 -9.613 317 HA PHE 41 HA PHE 41 1.223 7.866 -8.156 318 HB2 PHE 41 1HB PHE 41 -0.821 6.972 -8.758 319 HB3 PHE 41 2HB PHE 41 -0.180 5.340 -8.912 320 HD1 PHE 41 1HD PHE 41 -0.820 7.942 -6.323 321 HD2 PHE 41 2HD PHE 41 -0.668 3.797 -7.278 322 HE1 PHE 41 1HE PHE 41 -1.682 7.399 -4.084 323 HE2 PHE 41 2HE PHE 41 -1.530 3.247 -5.040 324 HZ PHE 41 HZ PHE 41 -2.039 5.049 -3.440 325 H TYR 42 H TYR 42 1.891 7.855 -6.090 326 HA TYR 42 HA TYR 42 3.409 5.501 -5.178 327 HB2 TYR 42 1HB TYR 42 3.730 8.354 -4.232 328 HB3 TYR 42 2HB TYR 42 4.767 6.985 -3.846 329 HD1 TYR 42 1HD TYR 42 6.139 5.945 -5.690 330 HD2 TYR 42 2HD TYR 42 4.093 9.644 -6.173 331 HE1 TYR 42 1HE TYR 42 7.563 6.474 -7.624 332 HE2 TYR 42 2HE TYR 42 5.511 10.183 -8.109 333 HH TYR 42 HH TYR 42 6.989 9.329 -9.603 334 H VAL 43 H VAL 43 3.154 4.769 -3.063 335 HA VAL 43 HA VAL 43 0.669 5.660 -1.764 336 HB VAL 43 HB VAL 43 2.118 3.049 -1.323 337 HG11 VAL 43 1HG1 VAL 43 0.442 2.453 0.079 338 HG12 VAL 43 2HG1 VAL 43 0.329 4.200 0.303 339 HG13 VAL 43 3HG1 VAL 43 -0.774 3.378 -0.801 340 HG21 VAL 43 3HG2 VAL 43 -0.290 3.565 -3.066 341 HG22 VAL 43 1HG2 VAL 43 1.346 3.277 -3.659 342 HG23 VAL 43 2HG2 VAL 43 0.490 2.010 -2.780 343 H LEU 44 H LEU 44 1.531 7.362 -0.560 344 HA LEU 44 HA LEU 44 3.826 7.062 1.107 345 HB2 LEU 44 1HB LEU 44 1.683 9.121 0.801 346 HB3 LEU 44 2HB LEU 44 2.776 9.192 2.181 347 HG LEU 44 HG LEU 44 3.451 10.672 0.326 348 HD11 LEU 44 1HD1 LEU 44 5.044 9.442 1.953 349 HD12 LEU 44 2HD1 LEU 44 5.716 10.255 0.540 350 HD13 LEU 44 3HD1 LEU 44 5.502 8.505 0.531 351 HD21 LEU 44 3HD2 LEU 44 4.341 8.343 -1.282 352 HD22 LEU 44 1HD2 LEU 44 3.881 9.967 -1.794 353 HD23 LEU 44 2HD2 LEU 44 2.637 8.793 -1.363 354 H PHE 45 H PHE 45 3.808 5.655 2.740 355 HA PHE 45 HA PHE 45 1.701 5.905 4.750 356 HB2 PHE 45 1HB PHE 45 1.453 3.473 4.939 357 HB3 PHE 45 2HB PHE 45 1.015 4.025 3.326 358 HD1 PHE 45 2HD PHE 45 3.798 2.525 5.269 359 HD2 PHE 45 1HD PHE 45 2.010 3.087 1.448 360 HE1 PHE 45 2HE PHE 45 5.384 0.916 4.294 361 HE2 PHE 45 1HE PHE 45 3.592 1.478 0.467 362 HZ PHE 45 HZ PHE 45 5.283 0.391 1.890 363 H GLU 46 H GLU 46 2.307 5.133 6.845 364 HA GLU 46 HA GLU 46 5.227 4.961 7.193 365 HB2 GLU 46 1HB GLU 46 3.371 6.749 8.321 366 HB3 GLU 46 2HB GLU 46 3.823 5.649 9.616 367 HG2 GLU 46 1HG GLU 46 6.117 6.205 9.408 368 HG3 GLU 46 2HG GLU 46 5.833 7.083 7.906 369 H LEU 47 H LEU 47 5.228 2.682 6.974 370 HA LEU 47 HA LEU 47 3.729 1.126 8.928 371 HB2 LEU 47 1HB LEU 47 3.771 0.280 6.678 372 HB3 LEU 47 2HB LEU 47 5.532 0.328 6.651 373 HG LEU 47 HG LEU 47 4.301 -1.939 6.954 374 HD11 LEU 47 1HD1 LEU 47 6.282 -2.752 7.624 375 HD12 LEU 47 2HD1 LEU 47 6.351 -1.707 9.042 376 HD13 LEU 47 3HD1 LEU 47 6.819 -1.080 7.462 377 HD21 LEU 47 3HD2 LEU 47 3.071 -0.766 8.995 378 HD22 LEU 47 1HD2 LEU 47 4.486 -1.368 9.858 379 HD23 LEU 47 2HD2 LEU 47 3.442 -2.490 8.985 380 H THR 48 H THR 48 4.573 0.970 10.896 381 HA THR 48 HA THR 48 7.446 1.114 11.299 382 HB THR 48 HB THR 48 5.445 0.633 13.489 383 HG1 THR 48 1HG THR 48 5.088 2.857 13.571 384 HG21 THR 48 3HG2 THR 48 7.640 0.545 14.306 385 HG22 THR 48 1HG2 THR 48 7.124 2.195 14.651 386 HG23 THR 48 2HG2 THR 48 8.174 1.870 13.272 387 H ASN 49 H ASN 49 8.747 -0.571 11.667 388 HA ASN 49 HA ASN 49 7.665 -3.240 11.517 389 HB2 ASN 49 1HB ASN 49 9.788 -2.519 10.372 390 HB3 ASN 49 2HB ASN 49 10.542 -2.423 11.961 391 HD21 ASN 49 1HD2 ASN 49 12.011 -4.025 11.684 392 HD22 ASN 49 2HD2 ASN 49 11.591 -5.688 11.477 393 H THR 50 H THR 50 6.445 -2.884 13.585 394 HA THR 50 HA THR 50 7.661 -2.630 16.079 395 HB THR 50 HB THR 50 5.190 -2.526 15.629 396 HG1 THR 50 1HG THR 50 4.701 -3.346 17.682 397 HG21 THR 50 3HG2 THR 50 5.367 -4.850 14.403 398 HG22 THR 50 1HG2 THR 50 3.902 -4.399 15.274 399 HG23 THR 50 2HG2 THR 50 5.076 -5.481 16.024 400 H THR 51 H THR 51 7.625 -5.283 13.896 401 HA THR 51 HA THR 51 7.946 -7.441 15.653 402 HB THR 51 HB THR 51 8.725 -8.708 13.812 403 HG1 THR 51 1HG THR 51 9.992 -7.892 12.308 404 HG21 THR 51 3HG2 THR 51 7.014 -6.553 12.576 405 HG22 THR 51 1HG2 THR 51 6.389 -7.818 13.632 406 HG23 THR 51 2HG2 THR 51 7.127 -8.243 12.088 407 H GLU 52 H GLU 52 10.277 -8.723 15.048 408 HA GLU 52 HA GLU 52 12.406 -6.918 15.968 409 HB2 GLU 52 1HB GLU 52 11.632 -9.589 17.130 410 HB3 GLU 52 2HB GLU 52 13.214 -8.869 17.395 411 HG2 GLU 52 1HG GLU 52 11.678 -6.805 18.116 412 HG3 GLU 52 2HG GLU 52 10.581 -8.129 18.501 413 H LYS 53 H LYS 53 11.915 -7.818 13.322 414 HA LYS 53 HA LYS 53 14.288 -9.512 12.901 415 HB2 LYS 53 1HB LYS 53 11.793 -9.486 11.194 416 HB3 LYS 53 2HB LYS 53 13.210 -10.500 10.955 417 HG2 LYS 53 1HG LYS 53 12.598 -11.219 13.451 418 HG3 LYS 53 2HG LYS 53 10.990 -10.759 12.886 419 HD2 LYS 53 1HD LYS 53 10.810 -12.675 11.773 420 HD3 LYS 53 2HD LYS 53 12.274 -12.304 10.858 421 HE2 LYS 53 1HE LYS 53 12.670 -14.374 11.929 422 HE3 LYS 53 2HE LYS 53 13.580 -13.168 12.839 423 HZ1 LYS 53 3HZ LYS 53 12.027 -14.939 14.007 424 HZ2 LYS 53 1HZ LYS 53 10.863 -13.742 13.735 425 HZ3 LYS 53 2HZ LYS 53 12.247 -13.386 14.639 426 H THR 54 H THR 54 15.390 -9.165 10.848 427 HA THR 54 HA THR 54 15.138 -6.370 9.953 428 HB THR 54 HB THR 54 17.618 -7.998 9.516 429 HG1 THR 54 1HG THR 54 16.943 -6.567 11.890 430 HG21 THR 54 3HG2 THR 54 17.047 -5.057 9.885 431 HG22 THR 54 1HG2 THR 54 17.508 -5.870 8.390 432 HG23 THR 54 2HG2 THR 54 18.662 -5.745 9.718 433 H GLN 55 H GLN 55 13.843 -8.958 8.964 434 HA GLN 55 HA GLN 55 14.910 -9.582 6.432 435 HB2 GLN 55 1HB GLN 55 12.758 -10.648 5.986 436 HB3 GLN 55 2HB GLN 55 13.328 -11.044 7.602 437 HG2 GLN 55 1HG GLN 55 11.812 -8.840 8.087 438 HG3 GLN 55 2HG GLN 55 10.942 -9.586 6.748 439 HE21 GLN 55 1HE2 GLN 55 10.132 -9.288 9.515 440 HE22 GLN 55 2HE2 GLN 55 9.840 -10.883 10.113 441 H ASN 56 H ASN 56 13.388 -9.293 4.414 442 HA ASN 56 HA ASN 56 13.577 -6.686 3.548 443 HB2 ASN 56 1HB ASN 56 12.111 -9.094 2.631 444 HB3 ASN 56 2HB ASN 56 11.553 -7.553 1.986 445 HD21 ASN 56 1HD2 ASN 56 13.732 -6.109 1.599 446 HD22 ASN 56 2HD2 ASN 56 14.821 -6.881 0.503 447 H ILE 57 H ILE 57 11.662 -5.325 2.770 448 HA ILE 57 HA ILE 57 9.888 -4.919 5.066 449 HB ILE 57 HB ILE 57 10.132 -3.006 2.770 450 HG12 ILE 57 1HG1 ILE 57 11.998 -3.213 5.142 451 HG13 ILE 57 2HG1 ILE 57 12.426 -3.488 3.457 452 HG21 ILE 57 1HG2 ILE 57 9.970 -1.673 5.209 453 HG22 ILE 57 2HG2 ILE 57 8.673 -1.910 4.038 454 HG23 ILE 57 3HG2 ILE 57 8.880 -3.050 5.368 455 HD11 ILE 57 3HD1 ILE 57 12.477 -1.073 4.922 456 HD12 ILE 57 1HD1 ILE 57 12.915 -1.349 3.236 457 HD13 ILE 57 2HD1 ILE 57 11.258 -0.915 3.658 458 H GLN 58 H GLN 58 9.809 -5.227 1.537 459 HA GLN 58 HA GLN 58 7.088 -4.883 1.116 460 HB2 GLN 58 1HB GLN 58 8.491 -4.986 -0.786 461 HB3 GLN 58 2HB GLN 58 9.144 -6.550 -0.318 462 HG2 GLN 58 1HG GLN 58 6.956 -7.575 -0.745 463 HG3 GLN 58 2HG GLN 58 6.336 -6.006 -1.256 464 HE21 GLN 58 1HE2 GLN 58 8.427 -5.044 -2.730 465 HE22 GLN 58 2HE2 GLN 58 8.659 -6.031 -4.128 466 H LEU 59 H LEU 59 8.770 -7.500 2.596 467 HA LEU 59 HA LEU 59 6.863 -9.548 2.185 468 HB2 LEU 59 1HB LEU 59 9.321 -9.201 3.596 469 HB3 LEU 59 2HB LEU 59 8.143 -9.947 4.674 470 HG LEU 59 HG LEU 59 8.738 -11.044 1.937 471 HD11 LEU 59 1HD1 LEU 59 10.286 -12.588 2.953 472 HD12 LEU 59 2HD1 LEU 59 10.029 -11.857 4.537 473 HD13 LEU 59 3HD1 LEU 59 10.820 -10.935 3.258 474 HD21 LEU 59 3HD2 LEU 59 8.046 -13.075 3.671 475 HD22 LEU 59 1HD2 LEU 59 6.986 -12.308 2.488 476 HD23 LEU 59 2HD2 LEU 59 6.998 -11.742 4.158 477 H MET 60 H MET 60 6.781 -6.741 4.074 478 HA MET 60 HA MET 60 4.709 -7.853 5.839 479 HB2 MET 60 1HB MET 60 6.561 -5.506 6.077 480 HB3 MET 60 2HB MET 60 5.066 -5.545 7.001 481 HG2 MET 60 1HG MET 60 5.760 -7.674 8.005 482 HG3 MET 60 2HG MET 60 7.275 -7.585 7.108 483 HE1 MET 60 3HE MET 60 5.020 -5.821 9.791 484 HE2 MET 60 1HE MET 60 6.061 -4.498 10.318 485 HE3 MET 60 2HE MET 60 5.401 -4.502 8.683 486 H ILE 61 H ILE 61 5.424 -5.008 3.825 487 HA ILE 61 HA ILE 61 2.926 -3.782 3.992 488 HB ILE 61 HB ILE 61 4.844 -3.765 1.660 489 HG12 ILE 61 1HG1 ILE 61 5.915 -2.985 3.692 490 HG13 ILE 61 2HG1 ILE 61 5.592 -1.608 2.644 491 HG21 ILE 61 1HG2 ILE 61 3.198 -2.694 0.600 492 HG22 ILE 61 2HG2 ILE 61 2.249 -2.523 2.075 493 HG23 ILE 61 3HG2 ILE 61 3.515 -1.354 1.701 494 HD11 ILE 61 3HD1 ILE 61 5.099 -1.076 4.951 495 HD12 ILE 61 1HD1 ILE 61 3.624 -1.060 3.984 496 HD13 ILE 61 2HD1 ILE 61 3.971 -2.429 5.041 497 H GLN 62 H GLN 62 4.003 -6.495 2.086 498 HA GLN 62 HA GLN 62 1.744 -6.490 0.315 499 HB2 GLN 62 1HB GLN 62 4.014 -8.374 0.849 500 HB3 GLN 62 2HB GLN 62 2.639 -8.905 -0.112 501 HG2 GLN 62 1HG GLN 62 3.032 -6.907 -1.583 502 HG3 GLN 62 2HG GLN 62 4.540 -6.657 -0.705 503 HE21 GLN 62 1HE2 GLN 62 5.392 -9.240 -0.365 504 HE22 GLN 62 2HE2 GLN 62 5.760 -9.936 -1.903 505 H SER 63 H SER 63 2.050 -7.202 3.523 506 HA SER 63 HA SER 63 -0.100 -9.215 3.435 507 HB2 SER 63 1HB SER 63 1.749 -10.193 4.552 508 HB3 SER 63 2HB SER 63 2.079 -8.719 5.463 509 HG SER 63 HG SER 63 0.781 -9.439 6.934 510 H PHE 64 H PHE 64 0.405 -6.012 3.879 511 HA PHE 64 HA PHE 64 -1.720 -5.762 5.901 512 HB2 PHE 64 1HB PHE 64 0.534 -3.923 5.119 513 HB3 PHE 64 2HB PHE 64 -0.861 -3.342 6.023 514 HD1 PHE 64 2HD PHE 64 -1.395 -5.543 7.857 515 HD2 PHE 64 1HD PHE 64 2.313 -3.882 6.589 516 HE1 PHE 64 2HE PHE 64 -0.347 -6.289 9.954 517 HE2 PHE 64 1HE PHE 64 3.367 -4.626 8.684 518 HZ PHE 64 HZ PHE 64 2.036 -5.831 10.370 519 H MET 65 H MET 65 -0.543 -3.585 3.349 520 HA MET 65 HA MET 65 -3.291 -2.955 2.643 521 HB2 MET 65 1HB MET 65 -2.218 -1.260 1.140 522 HB3 MET 65 2HB MET 65 -1.829 -1.072 2.844 523 HG2 MET 65 1HG MET 65 0.334 -2.069 2.512 524 HG3 MET 65 2HG MET 65 -0.054 -2.430 0.831 525 HE1 MET 65 3HE MET 65 0.680 0.410 -1.157 526 HE2 MET 65 1HE MET 65 -0.266 -1.061 -0.924 527 HE3 MET 65 2HE MET 65 -1.004 0.516 -0.641 528 H GLU 66 H GLU 66 -3.844 -2.769 0.287 529 HA GLU 66 HA GLU 66 -2.436 -4.531 -1.519 530 HB2 GLU 66 1HB GLU 66 -4.766 -5.431 -0.030 531 HB3 GLU 66 2HB GLU 66 -5.029 -5.511 -1.766 532 HG2 GLU 66 1HG GLU 66 -2.683 -6.733 -0.331 533 HG3 GLU 66 2HG GLU 66 -4.143 -7.602 -0.801 534 H VAL 67 H VAL 67 -3.114 -4.323 -3.693 535 HA VAL 67 HA VAL 67 -5.161 -2.307 -4.255 536 HB VAL 67 HB VAL 67 -2.451 -2.171 -5.567 537 HG11 VAL 67 1HG1 VAL 67 -3.193 -0.038 -6.383 538 HG12 VAL 67 2HG1 VAL 67 -4.413 -1.248 -6.783 539 HG13 VAL 67 3HG1 VAL 67 -4.676 -0.142 -5.435 540 HG21 VAL 67 3HG2 VAL 67 -2.053 -0.173 -4.148 541 HG22 VAL 67 1HG2 VAL 67 -3.495 -0.588 -3.222 542 HG23 VAL 67 2HG2 VAL 67 -2.110 -1.680 -3.233 543 H SER 68 H SER 68 -6.189 -2.542 -6.216 544 HA SER 68 HA SER 68 -5.217 -4.359 -8.223 545 HB2 SER 68 1HB SER 68 -7.663 -5.534 -7.891 546 HB3 SER 68 2HB SER 68 -6.147 -6.194 -7.277 547 HG SER 68 HG SER 68 -8.006 -5.889 -5.757 548 H GLN 69 H GLN 69 -6.308 -4.168 -10.185 549 HA GLN 69 HA GLN 69 -8.499 -2.210 -10.271 550 HB2 GLN 69 1HB GLN 69 -5.955 -2.220 -11.874 551 HB3 GLN 69 2HB GLN 69 -7.408 -1.434 -12.477 552 HG2 GLN 69 1HG GLN 69 -7.448 0.053 -10.590 553 HG3 GLN 69 2HG GLN 69 -6.095 -0.797 -9.846 554 HE21 GLN 69 1HE2 GLN 69 -6.891 1.903 -11.456 555 HE22 GLN 69 2HE2 GLN 69 -5.383 2.266 -12.218 556 H THR 70 H THR 70 -9.433 -2.178 -12.617 557 HA THR 70 HA THR 70 -10.047 -4.960 -13.271 558 HB THR 70 HB THR 70 -11.454 -2.760 -14.678 559 HG1 THR 70 1HG THR 70 -11.841 -3.312 -11.906 560 HG21 THR 70 3HG2 THR 70 -12.201 -4.976 -15.101 561 HG22 THR 70 1HG2 THR 70 -13.409 -4.236 -14.053 562 HG23 THR 70 2HG2 THR 70 -12.234 -5.367 -13.382 563 H VAL 71 H VAL 71 -9.640 -5.889 -15.220 564 HA VAL 71 HA VAL 71 -8.720 -4.300 -17.462 565 HB VAL 71 HB VAL 71 -6.629 -4.583 -16.289 566 HG11 VAL 71 1HG1 VAL 71 -7.159 -7.551 -16.360 567 HG12 VAL 71 2HG1 VAL 71 -5.726 -6.753 -15.707 568 HG13 VAL 71 3HG1 VAL 71 -7.294 -6.528 -14.930 569 HG21 VAL 71 3HG2 VAL 71 -5.339 -5.781 -17.996 570 HG22 VAL 71 1HG2 VAL 71 -6.831 -6.481 -18.626 571 HG23 VAL 71 2HG2 VAL 71 -6.565 -4.740 -18.720 572 H HIS 72 H HIS 72 -9.434 -5.164 -19.301 573 HA HIS 72 HA HIS 72 -10.451 -6.593 -20.753 574 HB2 HIS 72 1HB HIS 72 -8.143 -7.875 -19.763 575 HB3 HIS 72 2HB HIS 72 -9.407 -9.101 -19.795 576 HD1 HIS 72 1HD HIS 72 -10.604 -9.428 -22.189 577 HD2 HIS 72 2HD HIS 72 -7.018 -7.331 -22.186 578 HE1 HIS 72 1HE HIS 72 -9.817 -9.439 -24.577 579 H GLY 73 H GLY 73 -11.672 -6.105 -18.085 580 HA2 GLY 73 1HA GLY 73 -13.743 -6.711 -17.228 581 HA3 GLY 73 2HA GLY 73 -13.752 -8.096 -18.310 582 H LYS 74 H LYS 74 -10.965 -7.633 -16.344 583 HA LYS 74 HA LYS 74 -11.946 -9.398 -14.245 584 HB2 LYS 74 1HB LYS 74 -9.898 -10.147 -16.285 585 HB3 LYS 74 2HB LYS 74 -9.678 -10.709 -14.633 586 HG2 LYS 74 1HG LYS 74 -12.365 -11.219 -15.349 587 HG3 LYS 74 2HG LYS 74 -11.341 -11.776 -16.674 588 HD2 LYS 74 1HD LYS 74 -10.333 -13.379 -15.402 589 HD3 LYS 74 2HD LYS 74 -10.495 -12.451 -13.909 590 HE2 LYS 74 1HE LYS 74 -13.090 -13.137 -14.922 591 HE3 LYS 74 2HE LYS 74 -12.094 -14.587 -14.802 592 HZ1 LYS 74 3HZ LYS 74 -13.198 -14.290 -12.739 593 HZ2 LYS 74 1HZ LYS 74 -12.735 -12.666 -12.636 594 HZ3 LYS 74 2HZ LYS 74 -11.575 -13.886 -12.485 595 H ALA 75 H ALA 75 -10.943 -9.095 -12.310 596 HA ALA 75 HA ALA 75 -9.563 -6.737 -11.806 597 HB1 ALA 75 1HB ALA 75 -9.096 -7.663 -9.590 598 HB2 ALA 75 2HB ALA 75 -10.764 -7.964 -10.078 599 HB3 ALA 75 3HB ALA 75 -9.574 -9.263 -10.157 600 H GLN 76 H GLN 76 -7.352 -6.667 -10.701 601 HA GLN 76 HA GLN 76 -5.412 -8.560 -11.727 602 HB2 GLN 76 1HB GLN 76 -5.909 -6.621 -13.437 603 HB3 GLN 76 2HB GLN 76 -4.874 -5.689 -12.364 604 HG2 GLN 76 1HG GLN 76 -3.126 -7.444 -12.651 605 HG3 GLN 76 2HG GLN 76 -4.156 -8.188 -13.873 606 HE21 GLN 76 1HE2 GLN 76 -2.615 -5.118 -13.027 607 HE22 GLN 76 2HE2 GLN 76 -2.298 -4.628 -14.653 608 H ASN 77 H ASN 77 -3.330 -8.349 -10.754 609 HA ASN 77 HA ASN 77 -3.455 -7.003 -8.157 610 HB2 ASN 77 1HB ASN 77 -1.505 -8.452 -7.587 611 HB3 ASN 77 2HB ASN 77 -2.944 -9.362 -8.038 612 HD21 ASN 77 1HD2 ASN 77 -3.052 -10.155 -10.253 613 HD22 ASN 77 2HD2 ASN 77 -1.588 -10.618 -11.044 614 H LEU 78 H LEU 78 -2.872 -4.910 -8.559 615 HA LEU 78 HA LEU 78 -0.883 -4.041 -10.317 616 HB2 LEU 78 1HB LEU 78 -1.857 -2.755 -7.770 617 HB3 LEU 78 2HB LEU 78 -0.904 -1.949 -9.015 618 HG LEU 78 HG LEU 78 -3.736 -2.955 -9.253 619 HD11 LEU 78 1HD1 LEU 78 -4.379 -0.869 -8.833 620 HD12 LEU 78 2HD1 LEU 78 -3.186 -0.198 -9.945 621 HD13 LEU 78 3HD1 LEU 78 -2.732 -0.564 -8.281 622 HD21 LEU 78 3HD2 LEU 78 -2.460 -3.362 -11.321 623 HD22 LEU 78 1HD2 LEU 78 -2.015 -1.656 -11.362 624 HD23 LEU 78 2HD2 LEU 78 -3.706 -2.130 -11.528 625 H GLN 79 H GLN 79 1.239 -4.311 -10.273 626 HA GLN 79 HA GLN 79 2.535 -4.912 -7.704 627 HB2 GLN 79 1HB GLN 79 4.262 -6.025 -8.941 628 HB3 GLN 79 2HB GLN 79 2.712 -6.607 -9.532 629 HG2 GLN 79 1HG GLN 79 2.929 -4.919 -11.394 630 HG3 GLN 79 2HG GLN 79 4.593 -4.682 -10.861 631 HE21 GLN 79 1HE2 GLN 79 2.619 -6.382 -12.904 632 HE22 GLN 79 2HE2 GLN 79 3.676 -7.695 -13.283 633 H TYR 80 H TYR 80 5.131 -4.372 -8.238 634 HA TYR 80 HA TYR 80 5.410 -1.683 -7.694 635 HB2 TYR 80 1HB TYR 80 7.179 -3.359 -7.320 636 HB3 TYR 80 2HB TYR 80 7.433 -3.473 -9.058 637 HD1 TYR 80 1HD TYR 80 7.477 -0.994 -6.271 638 HD2 TYR 80 2HD TYR 80 9.026 -2.118 -10.071 639 HE1 TYR 80 1HE TYR 80 9.103 0.847 -6.146 640 HE2 TYR 80 2HE TYR 80 10.657 -0.281 -9.956 641 HH TYR 80 HH TYR 80 10.541 2.189 -8.441 642 H ALA 81 H ALA 81 5.114 0.087 -8.859 643 HA ALA 81 HA ALA 81 4.704 -0.065 -11.705 644 HB1 ALA 81 1HB ALA 81 4.167 1.847 -9.580 645 HB2 ALA 81 2HB ALA 81 4.731 2.612 -11.066 646 HB3 ALA 81 3HB ALA 81 3.311 1.567 -11.097 647 H VAL 82 H VAL 82 6.226 0.145 -13.200 648 HA VAL 82 HA VAL 82 8.917 0.836 -12.508 649 HB VAL 82 HB VAL 82 7.659 0.349 -15.211 650 HG11 VAL 82 1HG1 VAL 82 10.389 1.113 -14.387 651 HG12 VAL 82 2HG1 VAL 82 10.264 -0.178 -15.583 652 HG13 VAL 82 3HG1 VAL 82 9.539 1.397 -15.906 653 HG21 VAL 82 3HG2 VAL 82 9.295 -1.447 -13.421 654 HG22 VAL 82 1HG2 VAL 82 7.572 -1.601 -13.764 655 HG23 VAL 82 2HG2 VAL 82 8.753 -1.847 -15.051 656 H LEU 83 H LEU 83 10.092 2.642 -13.061 657 HA LEU 83 HA LEU 83 8.871 4.780 -14.583 658 HB2 LEU 83 1HB LEU 83 9.358 6.420 -12.706 659 HB3 LEU 83 2HB LEU 83 7.932 5.399 -12.537 660 HG LEU 83 HG LEU 83 9.448 3.891 -11.097 661 HD11 LEU 83 1HD1 LEU 83 11.170 6.234 -11.571 662 HD12 LEU 83 2HD1 LEU 83 11.595 4.567 -11.185 663 HD13 LEU 83 3HD1 LEU 83 11.080 5.664 -9.904 664 HD21 LEU 83 3HD2 LEU 83 9.208 5.970 -9.291 665 HD22 LEU 83 1HD2 LEU 83 7.982 4.759 -9.663 666 HD23 LEU 83 2HD2 LEU 83 7.967 6.313 -10.497 667 H THR 84 H THR 84 10.353 6.203 -15.440 668 HA THR 84 HA THR 84 13.048 5.303 -15.590 669 HB THR 84 HB THR 84 13.402 7.475 -16.864 670 HG1 THR 84 1HG THR 84 11.349 8.475 -17.482 671 HG21 THR 84 3HG2 THR 84 13.010 5.518 -18.134 672 HG22 THR 84 1HG2 THR 84 11.896 6.727 -18.770 673 HG23 THR 84 2HG2 THR 84 11.307 5.472 -17.680 674 H ASP 85 H ASP 85 11.379 7.651 -13.650 675 HA ASP 85 HA ASP 85 13.555 7.926 -11.859 676 HB2 ASP 85 1HB ASP 85 14.668 9.437 -13.187 677 HB3 ASP 85 2HB ASP 85 13.189 10.023 -13.945 678 H SER 86 H SER 86 12.957 8.919 -9.938 679 HA SER 86 HA SER 86 10.379 10.255 -9.772 680 HB2 SER 86 1HB SER 86 9.596 8.042 -9.456 681 HB3 SER 86 2HB SER 86 10.978 7.611 -8.449 682 HG SER 86 HG SER 86 9.588 8.049 -6.912 683 HA PRO 87 HA PRO 87 12.502 12.606 -6.723 684 HB2 PRO 87 1HB PRO 87 10.378 13.596 -5.352 685 HB3 PRO 87 2HB PRO 87 10.828 14.161 -6.966 686 HG2 PRO 87 1HG PRO 87 8.712 12.200 -6.167 687 HG3 PRO 87 2HG PRO 87 8.632 13.507 -7.363 688 HD2 PRO 87 1HD PRO 87 9.014 10.918 -8.058 689 HD3 PRO 87 2HD PRO 87 9.713 12.267 -8.977 690 H PHE 88 H PHE 88 10.191 10.155 -5.794 691 HA PHE 88 HA PHE 88 11.268 10.112 -3.065 692 HB2 PHE 88 1HB PHE 88 8.788 8.893 -4.282 693 HB3 PHE 88 2HB PHE 88 9.340 8.514 -2.653 694 HD1 PHE 88 2HD PHE 88 9.577 10.433 -1.002 695 HD2 PHE 88 1HD PHE 88 7.482 10.774 -4.691 696 HE1 PHE 88 2HE PHE 88 8.388 12.406 -0.140 697 HE2 PHE 88 1HE PHE 88 6.290 12.749 -3.835 698 HZ PHE 88 HZ PHE 88 6.741 13.567 -1.556 699 H GLN 89 H GLN 89 12.909 9.189 -5.168 700 HA GLN 89 HA GLN 89 12.773 6.336 -5.350 701 HB2 GLN 89 1HB GLN 89 14.195 8.413 -6.639 702 HB3 GLN 89 2HB GLN 89 15.397 7.338 -5.937 703 HG2 GLN 89 1HG GLN 89 13.183 6.043 -7.389 704 HG3 GLN 89 2HG GLN 89 14.317 6.980 -8.359 705 HE21 GLN 89 1HE2 GLN 89 14.334 4.602 -5.725 706 HE22 GLN 89 2HE2 GLN 89 15.666 3.685 -6.333 707 H ASP 90 H ASP 90 13.705 8.395 -2.908 708 HA ASP 90 HA ASP 90 15.905 6.833 -1.884 709 HB2 ASP 90 1HB ASP 90 14.754 9.413 -1.363 710 HB3 ASP 90 2HB ASP 90 14.882 8.515 0.147 711 H LYS 91 H LYS 91 12.562 6.547 -1.857 712 HA LYS 91 HA LYS 91 12.662 4.816 0.527 713 HB2 LYS 91 1HB LYS 91 10.104 5.275 0.540 714 HB3 LYS 91 2HB LYS 91 11.197 6.495 1.181 715 HG2 LYS 91 1HG LYS 91 11.080 7.694 -0.966 716 HG3 LYS 91 2HG LYS 91 9.926 6.492 -1.549 717 HD2 LYS 91 1HD LYS 91 8.775 8.490 -0.755 718 HD3 LYS 91 2HD LYS 91 8.387 7.098 0.258 719 HE2 LYS 91 1HE LYS 91 8.846 9.207 1.518 720 HE3 LYS 91 2HE LYS 91 9.865 7.843 1.975 721 HZ1 LYS 91 3HZ LYS 91 10.747 10.318 1.302 722 HZ2 LYS 91 1HZ LYS 91 10.998 9.440 -0.122 723 HZ3 LYS 91 2HZ LYS 91 11.691 8.915 1.329 724 H LEU 92 H LEU 92 12.553 4.776 -2.737 725 HA LEU 92 HA LEU 92 10.539 2.769 -3.153 726 HB2 LEU 92 1HB LEU 92 12.671 3.997 -4.866 727 HB3 LEU 92 2HB LEU 92 11.744 2.605 -5.424 728 HG LEU 92 HG LEU 92 10.587 5.287 -4.663 729 HD11 LEU 92 1HD1 LEU 92 11.783 4.315 -7.101 730 HD12 LEU 92 2HD1 LEU 92 11.206 5.931 -6.696 731 HD13 LEU 92 3HD1 LEU 92 10.086 4.732 -7.343 732 HD21 LEU 92 3HD2 LEU 92 9.315 2.820 -5.844 733 HD22 LEU 92 1HD2 LEU 92 8.525 4.386 -5.660 734 HD23 LEU 92 2HD2 LEU 92 9.031 3.481 -4.233 735 H ASP 93 H ASP 93 14.059 2.833 -2.868 736 HA ASP 93 HA ASP 93 14.521 0.128 -3.504 737 HB2 ASP 93 1HB ASP 93 16.306 1.824 -3.460 738 HB3 ASP 93 2HB ASP 93 16.135 1.955 -1.711 739 H ARG 94 H ARG 94 13.092 1.574 -0.783 740 HA ARG 94 HA ARG 94 13.823 -0.042 1.333 741 HB2 ARG 94 1HB ARG 94 11.045 1.005 0.759 742 HB3 ARG 94 2HB ARG 94 11.661 0.501 2.328 743 HG2 ARG 94 1HG ARG 94 13.039 2.677 0.819 744 HG3 ARG 94 2HG ARG 94 11.562 3.020 1.723 745 HD2 ARG 94 1HD ARG 94 12.709 3.090 3.623 746 HD3 ARG 94 2HD ARG 94 13.304 1.453 3.351 747 HE ARG 94 HE ARG 94 14.807 3.215 1.781 748 HH11 ARG 94 1HH1 ARG 94 14.267 2.445 5.133 749 HH12 ARG 94 2HH1 ARG 94 15.851 2.934 5.635 750 HH21 ARG 94 1HH2 ARG 94 16.896 3.863 2.430 751 HH22 ARG 94 2HH2 ARG 94 17.345 3.742 4.098 752 H LEU 95 H LEU 95 11.365 -0.638 -1.149 753 HA LEU 95 HA LEU 95 10.270 -2.981 -0.140 754 HB2 LEU 95 1HB LEU 95 10.764 -2.540 -3.068 755 HB3 LEU 95 2HB LEU 95 9.428 -3.395 -2.298 756 HG LEU 95 HG LEU 95 9.876 -0.418 -2.426 757 HD11 LEU 95 1HD1 LEU 95 7.541 -0.592 -3.435 758 HD12 LEU 95 2HD1 LEU 95 7.868 -2.317 -3.597 759 HD13 LEU 95 3HD1 LEU 95 8.893 -1.144 -4.424 760 HD21 LEU 95 3HD2 LEU 95 7.627 -0.379 -1.220 761 HD22 LEU 95 1HD2 LEU 95 9.059 -0.736 -0.253 762 HD23 LEU 95 2HD2 LEU 95 7.984 -2.043 -0.753 763 H ALA 96 H ALA 96 13.303 -2.442 -1.773 764 HA ALA 96 HA ALA 96 13.824 -5.335 -1.810 765 HB1 ALA 96 1HB ALA 96 15.835 -3.626 -3.054 766 HB2 ALA 96 2HB ALA 96 15.003 -5.047 -3.687 767 HB3 ALA 96 3HB ALA 96 14.231 -3.464 -3.770 768 H ASP 97 H ASP 97 14.033 -3.198 0.434 769 HA ASP 97 HA ASP 97 16.766 -3.926 1.264 770 HB2 ASP 97 1HB ASP 97 15.591 -1.340 1.007 771 HB3 ASP 97 2HB ASP 97 15.868 -1.647 2.719 772 H GLU 98 H GLU 98 16.761 -3.252 3.860 773 HA GLU 98 HA GLU 98 14.836 -5.145 4.986 774 HB2 GLU 98 1HB GLU 98 17.313 -3.927 6.221 775 HB3 GLU 98 2HB GLU 98 16.309 -5.172 6.951 776 HG2 GLU 98 1HG GLU 98 17.062 -6.810 5.530 777 HG3 GLU 98 2HG GLU 98 17.513 -5.661 4.271 778 H ILE 99 H ILE 99 14.448 -4.502 7.483 779 HA ILE 99 HA ILE 99 13.404 -1.745 7.458 780 HB ILE 99 HB ILE 99 11.824 -3.009 9.288 781 HG12 ILE 99 1HG1 ILE 99 10.997 -5.064 8.095 782 HG13 ILE 99 2HG1 ILE 99 12.405 -4.951 7.044 783 HG21 ILE 99 1HG2 ILE 99 10.453 -1.850 7.976 784 HG22 ILE 99 2HG2 ILE 99 11.579 -1.932 6.623 785 HG23 ILE 99 3HG2 ILE 99 10.427 -3.239 6.891 786 HD11 ILE 99 3HD1 ILE 99 13.140 -4.871 9.839 787 HD12 ILE 99 1HD1 ILE 99 12.230 -6.325 9.430 788 HD13 ILE 99 2HD1 ILE 99 13.705 -5.930 8.547 789 H ASN 100 H ASN 100 12.877 -1.006 9.781 790 HA ASN 100 HA ASN 100 15.199 -1.660 11.465 791 HB2 ASN 100 1HB ASN 100 13.842 0.853 10.777 792 HB3 ASN 100 2HB ASN 100 14.192 0.675 12.493 793 HD21 ASN 100 1HD2 ASN 100 16.025 -0.558 9.748 794 HD22 ASN 100 2HD2 ASN 100 17.459 0.351 10.067 795 HA PRO 101 HA PRO 101 11.721 -3.436 13.850 796 HB2 PRO 101 1HB PRO 101 13.246 -5.339 15.044 797 HB3 PRO 101 2HB PRO 101 12.548 -5.539 13.432 798 HG2 PRO 101 1HG PRO 101 15.328 -4.742 14.207 799 HG3 PRO 101 2HG PRO 101 14.798 -5.867 12.943 800 HD2 PRO 101 1HD PRO 101 15.555 -3.324 12.406 801 HD3 PRO 101 2HD PRO 101 14.313 -4.171 11.460 802 H GLY 102 H GLY 102 11.466 -1.683 15.244 803 HA2 GLY 102 1HA GLY 102 11.535 -1.391 17.687 804 HA3 GLY 102 2HA GLY 102 13.262 -1.699 17.591 805 H GLU 103 H GLU 103 12.368 0.115 14.954 806 HA GLU 103 HA GLU 103 13.026 2.628 16.346 807 HB2 GLU 103 1HB GLU 103 14.679 1.452 14.603 808 HB3 GLU 103 2HB GLU 103 13.672 2.329 13.459 809 HG2 GLU 103 1HG GLU 103 14.907 4.122 13.823 810 HG3 GLU 103 2HG GLU 103 14.298 4.162 15.476 811 H THR 104 H THR 104 12.624 4.416 14.335 812 HA THR 104 HA THR 104 9.825 4.014 13.515 813 HB THR 104 HB THR 104 9.656 5.450 15.407 814 HG1 THR 104 1HG THR 104 9.170 7.547 14.216 815 HG21 THR 104 3HG2 THR 104 11.402 6.655 16.082 816 HG22 THR 104 1HG2 THR 104 11.141 7.752 14.727 817 HG23 THR 104 2HG2 THR 104 12.226 6.373 14.549 818 H ILE 105 H ILE 105 9.996 3.847 11.360 819 HA ILE 105 HA ILE 105 11.127 6.114 9.908 820 HB ILE 105 HB ILE 105 12.424 4.800 8.405 821 HG12 ILE 105 1HG1 ILE 105 12.476 2.200 9.432 822 HG13 ILE 105 2HG1 ILE 105 10.772 2.640 9.416 823 HG21 ILE 105 1HG2 ILE 105 14.112 3.824 9.896 824 HG22 ILE 105 2HG2 ILE 105 13.544 5.389 10.477 825 HG23 ILE 105 3HG2 ILE 105 12.965 3.904 11.233 826 HD11 ILE 105 3HD1 ILE 105 10.755 2.054 7.283 827 HD12 ILE 105 1HD1 ILE 105 11.728 3.488 6.957 828 HD13 ILE 105 2HD1 ILE 105 12.514 1.933 7.235 829 H GLN 106 H GLN 106 10.847 5.254 7.350 830 HA GLN 106 HA GLN 106 8.419 3.887 6.826 831 HB2 GLN 106 1HB GLN 106 7.494 6.208 5.788 832 HB3 GLN 106 2HB GLN 106 7.024 5.582 7.363 833 HG2 GLN 106 1HG GLN 106 8.105 7.201 8.477 834 HG3 GLN 106 2HG GLN 106 9.460 7.219 7.350 835 HE21 GLN 106 1HE2 GLN 106 9.350 8.510 5.510 836 HE22 GLN 106 2HE2 GLN 106 8.205 9.795 5.360 837 H GLY 107 H GLY 107 7.658 4.577 4.445 838 HA2 GLY 107 1HA GLY 107 9.797 5.438 2.723 839 HA3 GLY 107 2HA GLY 107 9.517 3.704 2.656 840 H ALA 108 H ALA 108 8.622 3.429 0.694 841 HA ALA 108 HA ALA 108 5.960 4.505 0.278 842 HB1 ALA 108 1HB ALA 108 6.736 5.098 -2.154 843 HB2 ALA 108 2HB ALA 108 6.936 6.256 -0.839 844 HB3 ALA 108 3HB ALA 108 8.309 5.291 -1.380 845 H TYR 109 H TYR 109 5.120 3.646 -1.947 846 HA TYR 109 HA TYR 109 6.257 1.243 -2.958 847 HB2 TYR 109 1HB TYR 109 5.156 0.708 -0.611 848 HB3 TYR 109 2HB TYR 109 3.674 0.696 -1.560 849 HD1 TYR 109 2HD TYR 109 4.801 -0.453 -4.112 850 HD2 TYR 109 1HD TYR 109 5.334 -1.573 -0.042 851 HE1 TYR 109 2HE TYR 109 5.267 -2.764 -4.815 852 HE2 TYR 109 1HE TYR 109 5.801 -3.886 -0.733 853 HH TYR 109 HH TYR 109 5.075 -5.316 -2.986 854 HA PRO 110 HA PRO 110 3.326 3.373 -5.779 855 HB2 PRO 110 1HB PRO 110 4.867 3.010 -7.985 856 HB3 PRO 110 2HB PRO 110 5.098 4.356 -6.863 857 HG2 PRO 110 1HG PRO 110 6.589 1.766 -7.049 858 HG3 PRO 110 2HG PRO 110 7.220 3.405 -6.799 859 HD2 PRO 110 1HD PRO 110 6.901 1.641 -4.769 860 HD3 PRO 110 2HD PRO 110 6.712 3.393 -4.551 861 H TYR 111 H TYR 111 1.972 2.514 -7.376 862 HA TYR 111 HA TYR 111 2.274 -0.367 -7.906 863 HB2 TYR 111 1HB TYR 111 -0.189 1.135 -7.034 864 HB3 TYR 111 2HB TYR 111 -0.287 -0.426 -7.840 865 HD1 TYR 111 2HD TYR 111 1.450 1.190 -4.950 866 HD2 TYR 111 1HD TYR 111 -0.354 -2.326 -6.529 867 HE1 TYR 111 2HE TYR 111 1.772 0.061 -2.789 868 HE2 TYR 111 1HE TYR 111 -0.037 -3.464 -4.371 869 HH TYR 111 HH TYR 111 0.237 -2.804 -1.965 870 H GLU 112 H GLU 112 0.970 -1.103 -9.793 871 HA GLU 112 HA GLU 112 1.591 0.382 -12.080 872 HB2 GLU 112 1HB GLU 112 -0.055 -2.030 -11.508 873 HB3 GLU 112 2HB GLU 112 -0.291 -1.237 -13.060 874 HG2 GLU 112 1HG GLU 112 2.223 -1.390 -13.354 875 HG3 GLU 112 2HG GLU 112 2.210 -2.484 -11.972 876 H PHE 113 H PHE 113 0.691 2.153 -12.873 877 HA PHE 113 HA PHE 113 -2.071 2.802 -12.111 878 HB2 PHE 113 1HB PHE 113 0.205 4.336 -11.939 879 HB3 PHE 113 2HB PHE 113 -0.518 4.903 -13.441 880 HD1 PHE 113 1HD PHE 113 -1.855 3.877 -10.108 881 HD2 PHE 113 2HD PHE 113 -1.687 6.848 -13.151 882 HE1 PHE 113 1HE PHE 113 -3.415 5.278 -8.821 883 HE2 PHE 113 2HE PHE 113 -3.245 8.254 -11.869 884 HZ PHE 113 HZ PHE 113 -4.111 7.471 -9.701 885 H ILE 114 H ILE 114 -0.600 1.295 -14.531 886 HA ILE 114 HA ILE 114 -1.140 2.457 -16.929 887 HB ILE 114 HB ILE 114 -1.728 -0.430 -16.265 888 HG12 ILE 114 1HG1 ILE 114 0.773 0.064 -17.623 889 HG13 ILE 114 2HG1 ILE 114 0.702 0.979 -16.121 890 HG21 ILE 114 1HG2 ILE 114 -1.262 1.010 -18.863 891 HG22 ILE 114 2HG2 ILE 114 -1.117 -0.739 -18.697 892 HG23 ILE 114 3HG2 ILE 114 -2.662 0.051 -18.383 893 HD11 ILE 114 3HD1 ILE 114 1.163 -1.819 -16.536 894 HD12 ILE 114 1HD1 ILE 114 1.323 -0.860 -15.065 895 HD13 ILE 114 2HD1 ILE 114 -0.234 -1.573 -15.487 896 H ASN 115 H ASN 115 -3.461 1.011 -14.718 897 HA ASN 115 HA ASN 115 -5.655 1.464 -16.579 898 HB2 ASN 115 1HB ASN 115 -5.361 0.050 -13.956 899 HB3 ASN 115 2HB ASN 115 -6.963 0.561 -14.481 900 HD21 ASN 115 1HD2 ASN 115 -7.638 -0.154 -16.643 901 HD22 ASN 115 2HD2 ASN 115 -7.136 -1.717 -17.182 902 H GLU 116 H GLU 116 -4.478 3.833 -15.950 903 HA GLU 116 HA GLU 116 -5.371 5.213 -13.718 904 HB2 GLU 116 1HB GLU 116 -5.182 7.265 -15.205 905 HB3 GLU 116 2HB GLU 116 -3.744 6.263 -15.072 906 HG2 GLU 116 1HG GLU 116 -3.690 5.932 -17.258 907 HG3 GLU 116 2HG GLU 116 -5.367 5.390 -17.274 908 H ASN 117 H ASN 117 -7.057 4.396 -16.668 909 HA ASN 117 HA ASN 117 -9.242 6.169 -16.349 910 HB2 ASN 117 1HB ASN 117 -10.399 4.486 -17.906 911 HB3 ASN 117 2HB ASN 117 -8.957 5.292 -18.516 912 HD21 ASN 117 1HD2 ASN 117 -6.975 4.121 -18.541 913 HD22 ASN 117 2HD2 ASN 117 -6.982 2.395 -18.623 914 H LYS 118 H LYS 118 -8.433 3.114 -14.944 915 HA LYS 118 HA LYS 118 -11.145 2.735 -13.916 916 HB2 LYS 118 1HB LYS 118 -8.708 0.972 -13.604 917 HB3 LYS 118 2HB LYS 118 -10.354 0.560 -13.143 918 HG2 LYS 118 1HG LYS 118 -9.328 1.020 -15.935 919 HG3 LYS 118 2HG LYS 118 -9.797 -0.522 -15.216 920 HD2 LYS 118 1HD LYS 118 -12.083 0.685 -14.832 921 HD3 LYS 118 2HD LYS 118 -11.510 1.758 -16.110 922 HE2 LYS 118 1HE LYS 118 -11.219 -0.148 -17.597 923 HE3 LYS 118 2HE LYS 118 -11.732 -1.245 -16.315 924 HZ1 LYS 118 3HZ LYS 118 -13.508 -0.726 -17.914 925 HZ2 LYS 118 1HZ LYS 118 -13.425 0.904 -17.469 926 HZ3 LYS 118 2HZ LYS 118 -13.904 -0.257 -16.337 927 HA PRO 119 HA PRO 119 -10.296 4.358 -9.925 928 HB2 PRO 119 1HB PRO 119 -11.853 2.764 -8.374 929 HB3 PRO 119 2HB PRO 119 -12.515 4.005 -9.444 930 HG2 PRO 119 1HG PRO 119 -12.277 1.054 -9.886 931 HG3 PRO 119 2HG PRO 119 -13.635 2.134 -10.252 932 HD2 PRO 119 1HD PRO 119 -11.887 1.300 -12.144 933 HD3 PRO 119 2HD PRO 119 -12.670 2.892 -12.203 934 H VAL 120 H VAL 120 -9.001 4.052 -8.142 935 HA VAL 120 HA VAL 120 -7.442 1.581 -8.117 936 HB VAL 120 HB VAL 120 -6.948 4.142 -6.593 937 HG11 VAL 120 1HG1 VAL 120 -4.584 3.139 -6.572 938 HG12 VAL 120 2HG1 VAL 120 -5.784 2.455 -5.474 939 HG13 VAL 120 3HG1 VAL 120 -5.376 1.616 -6.971 940 HG21 VAL 120 3HG2 VAL 120 -6.499 3.447 -9.371 941 HG22 VAL 120 1HG2 VAL 120 -6.356 5.007 -8.560 942 HG23 VAL 120 2HG2 VAL 120 -5.000 3.878 -8.547 943 H HIS 121 H HIS 121 -8.899 0.181 -7.093 944 HA HIS 121 HA HIS 121 -10.304 0.681 -4.740 945 HB2 HIS 121 1HB HIS 121 -9.144 -1.997 -5.517 946 HB3 HIS 121 2HB HIS 121 -10.586 -1.691 -4.553 947 HD1 HIS 121 1HD HIS 121 -12.064 0.285 -6.347 948 HD2 HIS 121 2HD HIS 121 -10.171 -3.135 -7.756 949 HE1 HIS 121 1HE HIS 121 -13.184 -0.252 -8.534 950 H PHE 122 H PHE 122 -9.387 1.476 -2.955 951 HA PHE 122 HA PHE 122 -6.776 0.471 -2.103 952 HB2 PHE 122 1HB PHE 122 -8.431 2.860 -1.309 953 HB3 PHE 122 2HB PHE 122 -7.037 2.346 -0.365 954 HD1 PHE 122 2HD PHE 122 -4.968 1.722 -2.122 955 HD2 PHE 122 1HD PHE 122 -7.990 4.678 -2.618 956 HE1 PHE 122 2HE PHE 122 -3.485 2.980 -3.628 957 HE2 PHE 122 1HE PHE 122 -6.512 5.941 -4.126 958 HZ PHE 122 HZ PHE 122 -4.256 5.093 -4.632 959 H LYS 123 H LYS 123 -7.054 -1.441 -1.086 960 HA LYS 123 HA LYS 123 -8.886 -1.470 1.223 961 HB2 LYS 123 1HB LYS 123 -8.150 -3.846 -0.495 962 HB3 LYS 123 2HB LYS 123 -9.287 -3.832 0.847 963 HG2 LYS 123 1HG LYS 123 -10.951 -3.174 -0.463 964 HG3 LYS 123 2HG LYS 123 -9.987 -1.859 -1.142 965 HD2 LYS 123 1HD LYS 123 -9.530 -3.019 -3.001 966 HD3 LYS 123 2HD LYS 123 -9.163 -4.488 -2.095 967 HE2 LYS 123 1HE LYS 123 -11.029 -5.010 -3.440 968 HE3 LYS 123 2HE LYS 123 -11.662 -4.775 -1.812 969 HZ1 LYS 123 3HZ LYS 123 -11.929 -2.325 -2.738 970 HZ2 LYS 123 1HZ LYS 123 -13.125 -3.503 -2.950 971 HZ3 LYS 123 2HZ LYS 123 -12.047 -3.156 -4.206 972 H PHE 124 H PHE 124 -8.238 -3.316 2.783 973 HA PHE 124 HA PHE 124 -5.364 -3.755 2.914 974 HB2 PHE 124 1HB PHE 124 -6.858 -2.411 5.176 975 HB3 PHE 124 2HB PHE 124 -5.157 -2.864 5.175 976 HD1 PHE 124 2HD PHE 124 -7.651 -0.541 3.816 977 HD2 PHE 124 1HD PHE 124 -3.519 -1.537 4.048 978 HE1 PHE 124 2HE PHE 124 -7.071 1.663 2.888 979 HE2 PHE 124 1HE PHE 124 -2.933 0.666 3.122 980 HZ PHE 124 HZ PHE 124 -4.710 2.268 2.539 981 H ARG 125 H ARG 125 -4.970 -5.768 3.551 982 HA ARG 125 HA ARG 125 -6.425 -7.062 5.636 983 HB2 ARG 125 1HB ARG 125 -7.322 -7.418 2.897 984 HB3 ARG 125 2HB ARG 125 -6.837 -8.945 3.622 985 HG2 ARG 125 1HG ARG 125 -8.850 -7.014 4.758 986 HG3 ARG 125 2HG ARG 125 -9.214 -8.528 3.927 987 HD2 ARG 125 1HD ARG 125 -9.222 -9.429 5.977 988 HD3 ARG 125 2HD ARG 125 -7.465 -9.345 5.857 989 HE ARG 125 HE ARG 125 -8.448 -6.902 6.842 990 HH11 ARG 125 1HH1 ARG 125 -8.038 -10.224 7.798 991 HH12 ARG 125 2HH1 ARG 125 -7.896 -9.858 9.485 992 HH21 ARG 125 1HH2 ARG 125 -8.263 -6.406 9.061 993 HH22 ARG 125 2HH2 ARG 125 -8.025 -7.686 10.203 994 H ASP 126 H ASP 126 -4.955 -8.419 2.701 995 HA ASP 126 HA ASP 126 -2.384 -8.826 3.695 996 HB2 ASP 126 1HB ASP 126 -4.200 -10.492 4.994 997 HB3 ASP 126 2HB ASP 126 -3.459 -11.525 3.774 998 H ARG 127 H ARG 127 -4.700 -11.005 2.075 999 HA ARG 127 HA ARG 127 -3.588 -10.479 -0.513 1000 HB2 ARG 127 1HB ARG 127 -2.929 -12.933 -0.841 1001 HB3 ARG 127 2HB ARG 127 -1.825 -11.915 0.074 1002 HG2 ARG 127 1HG ARG 127 -2.726 -12.820 2.162 1003 HG3 ARG 127 2HG ARG 127 -3.818 -13.851 1.235 1004 HD2 ARG 127 1HD ARG 127 -1.964 -15.198 1.843 1005 HD3 ARG 127 2HD ARG 127 -1.780 -14.828 0.129 1006 HE ARG 127 HE ARG 127 -0.387 -12.922 1.668 1007 HH11 ARG 127 1HH1 ARG 127 -0.231 -16.263 0.703 1008 HH12 ARG 127 2HH1 ARG 127 1.496 -16.349 0.810 1009 HH21 ARG 127 1HH2 ARG 127 1.887 -13.022 1.812 1010 HH22 ARG 127 2HH2 ARG 127 2.700 -14.505 1.442 1011 H LEU 128 H LEU 128 -6.076 -10.060 -0.032 1012 HA LEU 128 HA LEU 128 -8.194 -10.514 -0.728 1013 HB2 LEU 128 1HB LEU 128 -6.570 -11.810 -2.535 1014 HB3 LEU 128 2HB LEU 128 -7.661 -13.085 -1.995 1015 HG LEU 128 HG LEU 128 -9.127 -10.685 -2.644 1016 HD11 LEU 128 1HD1 LEU 128 -8.722 -10.815 -5.101 1017 HD12 LEU 128 2HD1 LEU 128 -7.305 -11.808 -4.762 1018 HD13 LEU 128 3HD1 LEU 128 -7.377 -10.147 -4.176 1019 HD21 LEU 128 3HD2 LEU 128 -10.510 -12.180 -3.792 1020 HD22 LEU 128 1HD2 LEU 128 -9.860 -13.130 -2.455 1021 HD23 LEU 128 2HD2 LEU 128 -9.194 -13.321 -4.077 1022 H LEU 129 H LEU 129 -9.961 -11.538 0.120 1023 HA LEU 129 HA LEU 129 -11.197 -12.920 1.442 1024 HB2 LEU 129 1HB LEU 129 -9.206 -14.617 0.283 1025 HB3 LEU 129 2HB LEU 129 -9.497 -15.113 1.949 1026 HG LEU 129 HG LEU 129 -11.725 -14.761 -0.042 1027 HD11 LEU 129 1HD1 LEU 129 -10.500 -16.416 -1.099 1028 HD12 LEU 129 2HD1 LEU 129 -11.588 -17.342 -0.066 1029 HD13 LEU 129 3HD1 LEU 129 -9.911 -17.094 0.419 1030 HD21 LEU 129 3HD2 LEU 129 -12.511 -16.654 1.697 1031 HD22 LEU 129 1HD2 LEU 129 -12.815 -14.932 1.927 1032 HD23 LEU 129 2HD2 LEU 129 -11.453 -15.703 2.740 1033 H SER 130 H SER 130 -7.957 -13.888 2.532 1034 HA SER 130 HA SER 130 -6.884 -13.660 4.527 1035 HB2 SER 130 1HB SER 130 -7.489 -11.200 4.080 1036 HB3 SER 130 2HB SER 130 -8.791 -11.438 5.245 1037 HG SER 130 HG SER 130 -6.059 -11.979 5.783 1038 H LEU 131 H LEU 131 -9.666 -15.006 4.141 1039 HA LEU 131 HA LEU 131 -10.907 -16.449 5.396 1040 HB2 LEU 131 1HB LEU 131 -9.409 -15.653 7.860 1041 HB3 LEU 131 2HB LEU 131 -10.137 -17.206 7.456 1042 HG LEU 131 HG LEU 131 -7.555 -16.048 6.430 1043 HD11 LEU 131 1HD1 LEU 131 -8.345 -18.301 8.216 1044 HD12 LEU 131 2HD1 LEU 131 -7.062 -17.108 8.407 1045 HD13 LEU 131 3HD1 LEU 131 -6.871 -18.429 7.256 1046 HD21 LEU 131 3HD2 LEU 131 -7.989 -17.080 4.497 1047 HD22 LEU 131 1HD2 LEU 131 -9.379 -17.936 5.163 1048 HD23 LEU 131 2HD2 LEU 131 -7.754 -18.583 5.391 1049 H ASP 132 H ASP 132 -10.102 -13.794 7.640 1050 HA ASP 132 HA ASP 132 -12.927 -13.511 8.290 1051 HB2 ASP 132 1HB ASP 132 -10.467 -13.072 9.678 1052 HB3 ASP 132 2HB ASP 132 -11.359 -11.554 9.629 1053 H GLU 133 H GLU 133 -13.990 -11.442 8.253 1054 HA GLU 133 HA GLU 133 -13.869 -10.118 5.834 1055 HB2 GLU 133 1HB GLU 133 -15.107 -8.252 7.074 1056 HB3 GLU 133 2HB GLU 133 -15.843 -9.848 7.076 1057 HG2 GLU 133 1HG GLU 133 -14.053 -9.360 9.334 1058 HG3 GLU 133 2HG GLU 133 -15.453 -8.290 9.272 1059 HA PRO 134 HA PRO 134 -10.529 -7.278 5.985 1060 HB2 PRO 134 1HB PRO 134 -11.550 -5.159 4.631 1061 HB3 PRO 134 2HB PRO 134 -11.093 -6.673 3.842 1062 HG2 PRO 134 1HG PRO 134 -13.803 -5.719 4.685 1063 HG3 PRO 134 2HG PRO 134 -13.318 -6.528 3.183 1064 HD2 PRO 134 1HD PRO 134 -14.516 -7.843 5.224 1065 HD3 PRO 134 2HD PRO 134 -13.328 -8.617 4.157 1066 H ILE 135 H ILE 135 -10.031 -4.890 6.472 1067 HA ILE 135 HA ILE 135 -11.686 -4.018 8.751 1068 HB ILE 135 HB ILE 135 -9.426 -4.876 9.383 1069 HG12 ILE 135 1HG1 ILE 135 -8.879 -2.322 10.346 1070 HG13 ILE 135 2HG1 ILE 135 -10.615 -2.305 10.057 1071 HG21 ILE 135 1HG2 ILE 135 -8.468 -3.746 7.200 1072 HG22 ILE 135 2HG2 ILE 135 -8.197 -2.396 8.300 1073 HG23 ILE 135 3HG2 ILE 135 -7.468 -3.967 8.636 1074 HD11 ILE 135 3HD1 ILE 135 -10.828 -4.337 11.433 1075 HD12 ILE 135 1HD1 ILE 135 -9.101 -4.251 11.778 1076 HD13 ILE 135 2HD1 ILE 135 -10.174 -2.962 12.323 1077 H ALA 136 H ALA 136 -9.969 -3.093 5.867 1078 HA ALA 136 HA ALA 136 -11.338 -0.519 5.902 1079 HB1 ALA 136 1HB ALA 136 -9.294 0.129 6.904 1080 HB2 ALA 136 2HB ALA 136 -8.348 -0.813 5.751 1081 HB3 ALA 136 3HB ALA 136 -9.203 0.634 5.216 1082 H SER 137 H SER 137 -12.010 0.101 3.926 1083 HA SER 137 HA SER 137 -10.713 -0.686 1.506 1084 HB2 SER 137 1HB SER 137 -12.772 -1.945 0.645 1085 HB3 SER 137 2HB SER 137 -11.733 -2.805 1.780 1086 HG SER 137 HG SER 137 -14.183 -2.700 2.090 1087 H GLU 138 H GLU 138 -11.352 0.552 -0.212 1088 HA GLU 138 HA GLU 138 -13.821 1.857 -0.475 1089 HB2 GLU 138 1HB GLU 138 -13.197 3.195 1.422 1090 HB3 GLU 138 2HB GLU 138 -11.608 3.513 0.739 1091 HG2 GLU 138 1HG GLU 138 -12.534 4.887 -0.972 1092 HG3 GLU 138 2HG GLU 138 -14.176 4.420 -0.532 1093 H GLU 139 H GLU 139 -14.039 2.624 -2.508 1094 HA GLU 139 HA GLU 139 -11.762 2.348 -4.281 1095 HB2 GLU 139 1HB GLU 139 -14.636 3.054 -4.902 1096 HB3 GLU 139 2HB GLU 139 -13.394 2.663 -6.083 1097 HG2 GLU 139 1HG GLU 139 -14.425 0.649 -5.942 1098 HG3 GLU 139 2HG GLU 139 -13.228 0.449 -4.663 1099 H ILE 140 H ILE 140 -10.642 3.964 -5.196 1100 HA ILE 140 HA ILE 140 -11.716 6.667 -5.237 1101 HB ILE 140 HB ILE 140 -9.123 6.018 -3.831 1102 HG12 ILE 140 1HG1 ILE 140 -11.719 7.178 -2.796 1103 HG13 ILE 140 2HG1 ILE 140 -11.105 5.563 -2.460 1104 HG21 ILE 140 1HG2 ILE 140 -10.415 8.679 -4.416 1105 HG22 ILE 140 2HG2 ILE 140 -8.986 8.434 -3.412 1106 HG23 ILE 140 3HG2 ILE 140 -8.929 8.057 -5.134 1107 HD11 ILE 140 3HD1 ILE 140 -10.160 6.407 -0.648 1108 HD12 ILE 140 1HD1 ILE 140 -9.050 7.275 -1.708 1109 HD13 ILE 140 2HD1 ILE 140 -10.529 8.057 -1.150 1110 H THR 141 H THR 141 -10.847 7.950 -6.829 1111 HA THR 141 HA THR 141 -8.913 6.625 -8.614 1112 HB THR 141 HB THR 141 -10.898 6.879 -9.849 1113 HG1 THR 141 1HG THR 141 -10.312 8.485 -11.394 1114 HG21 THR 141 3HG2 THR 141 -12.201 8.947 -9.944 1115 HG22 THR 141 1HG2 THR 141 -11.081 9.714 -8.820 1116 HG23 THR 141 2HG2 THR 141 -12.075 8.358 -8.287 1117 H ILE 142 H ILE 142 -6.941 7.451 -8.436 1118 HA ILE 142 HA ILE 142 -6.618 10.269 -7.701 1119 HB ILE 142 HB ILE 142 -4.497 8.126 -7.856 1120 HG12 ILE 142 1HG1 ILE 142 -5.874 9.210 -5.392 1121 HG13 ILE 142 2HG1 ILE 142 -6.301 7.684 -6.160 1122 HG21 ILE 142 1HG2 ILE 142 -4.480 10.997 -7.292 1123 HG22 ILE 142 2HG2 ILE 142 -3.633 10.019 -6.095 1124 HG23 ILE 142 3HG2 ILE 142 -3.169 9.930 -7.794 1125 HD11 ILE 142 3HD1 ILE 142 -3.629 8.374 -4.960 1126 HD12 ILE 142 1HD1 ILE 142 -4.858 7.333 -4.244 1127 HD13 ILE 142 2HD1 ILE 142 -4.049 6.846 -5.734 1128 H THR 143 H THR 143 -5.337 11.687 -8.898 1129 HA THR 143 HA THR 143 -5.452 11.364 -11.713 1130 HB THR 143 HB THR 143 -3.907 13.411 -10.109 1131 HG1 THR 143 1HG THR 143 -6.250 13.333 -9.798 1132 HG21 THR 143 3HG2 THR 143 -3.211 13.148 -12.498 1133 HG22 THR 143 1HG2 THR 143 -3.865 14.738 -12.108 1134 HG23 THR 143 2HG2 THR 143 -4.859 13.563 -12.969 Start of MODEL 9 1 H1 MET 1 H MET 1 -24.451 2.226 18.539 2 HA MET 1 HA MET 1 -23.982 5.074 18.954 3 HB2 MET 1 1HB MET 1 -26.116 4.108 20.190 4 HB3 MET 1 2HB MET 1 -24.910 3.519 21.327 5 HG2 MET 1 1HG MET 1 -24.598 5.536 22.204 6 HG3 MET 1 2HG MET 1 -24.509 6.304 20.621 7 HE1 MET 1 3HE MET 1 -27.699 6.087 23.649 8 HE2 MET 1 1HE MET 1 -28.018 4.687 22.625 9 HE3 MET 1 2HE MET 1 -26.431 4.894 23.365 10 H ASP 2 H ASP 2 -23.630 2.026 20.779 11 HA ASP 2 HA ASP 2 -20.756 2.630 21.027 12 HB2 ASP 2 1HB ASP 2 -22.188 2.676 23.148 13 HB3 ASP 2 2HB ASP 2 -22.326 0.930 22.959 14 H GLU 3 H GLU 3 -19.394 1.223 20.144 15 HA GLU 3 HA GLU 3 -19.707 -1.572 20.176 16 HB2 GLU 3 1HB GLU 3 -21.329 -0.471 18.271 17 HB3 GLU 3 2HB GLU 3 -19.870 -0.794 17.344 18 HG2 GLU 3 1HG GLU 3 -20.357 -3.090 18.889 19 HG3 GLU 3 2HG GLU 3 -21.906 -2.603 18.204 20 H VAL 4 H VAL 4 -17.758 -2.476 19.911 21 HA VAL 4 HA VAL 4 -15.479 -0.851 19.440 22 HB VAL 4 HB VAL 4 -15.508 -3.863 19.370 23 HG11 VAL 4 1HG1 VAL 4 -13.394 -2.993 18.755 24 HG12 VAL 4 2HG1 VAL 4 -13.435 -1.788 20.042 25 HG13 VAL 4 3HG1 VAL 4 -13.250 -3.497 20.438 26 HG21 VAL 4 3HG2 VAL 4 -14.884 -3.377 21.916 27 HG22 VAL 4 1HG2 VAL 4 -15.957 -2.006 21.633 28 HG23 VAL 4 2HG2 VAL 4 -16.543 -3.650 21.382 29 H LEU 5 H LEU 5 -13.887 -1.106 17.772 30 HA LEU 5 HA LEU 5 -15.093 -1.425 15.164 31 HB2 LEU 5 1HB LEU 5 -12.231 -0.777 15.842 32 HB3 LEU 5 2HB LEU 5 -13.037 -0.537 14.294 33 HG LEU 5 HG LEU 5 -14.567 0.964 16.018 34 HD11 LEU 5 1HD1 LEU 5 -13.403 1.720 17.750 35 HD12 LEU 5 2HD1 LEU 5 -12.008 2.085 16.737 36 HD13 LEU 5 3HD1 LEU 5 -12.210 0.467 17.408 37 HD21 LEU 5 3HD2 LEU 5 -12.469 1.476 13.994 38 HD22 LEU 5 1HD2 LEU 5 -12.944 2.832 15.018 39 HD23 LEU 5 2HD2 LEU 5 -14.154 1.997 14.042 40 H ALA 6 H ALA 6 -15.037 -3.214 13.984 41 HA ALA 6 HA ALA 6 -14.388 -5.218 13.109 42 HB1 ALA 6 1HB ALA 6 -12.229 -5.153 12.613 43 HB2 ALA 6 2HB ALA 6 -11.939 -3.988 13.905 44 HB3 ALA 6 3HB ALA 6 -11.855 -5.717 14.242 45 H THR 7 H THR 7 -12.594 -5.352 16.173 46 HA THR 7 HA THR 7 -14.496 -6.818 17.626 47 HB THR 7 HB THR 7 -14.090 -8.583 15.976 48 HG1 THR 7 1HG THR 7 -14.332 -8.999 18.351 49 HG21 THR 7 3HG2 THR 7 -11.465 -9.403 16.738 50 HG22 THR 7 1HG2 THR 7 -11.399 -7.725 16.200 51 HG23 THR 7 2HG2 THR 7 -12.063 -8.967 15.138 52 H SER 8 H SER 8 -12.719 -4.713 18.136 53 HA SER 8 HA SER 8 -11.297 -3.957 19.742 54 HB2 SER 8 1HB SER 8 -12.770 -5.369 21.203 55 HB3 SER 8 2HB SER 8 -11.616 -6.688 21.006 56 HG SER 8 HG SER 8 -11.269 -5.431 22.918 57 H ILE 9 H ILE 9 -10.283 -5.337 17.379 58 HA ILE 9 HA ILE 9 -7.707 -6.299 18.443 59 HB ILE 9 HB ILE 9 -9.031 -7.006 15.821 60 HG12 ILE 9 1HG1 ILE 9 -10.005 -8.125 17.795 61 HG13 ILE 9 2HG1 ILE 9 -9.169 -9.262 16.743 62 HG21 ILE 9 1HG2 ILE 9 -6.277 -7.045 16.601 63 HG22 ILE 9 2HG2 ILE 9 -6.846 -8.695 16.351 64 HG23 ILE 9 3HG2 ILE 9 -7.006 -7.503 15.061 65 HD11 ILE 9 3HD1 ILE 9 -7.304 -8.331 18.653 66 HD12 ILE 9 1HD1 ILE 9 -8.780 -8.781 19.507 67 HD13 ILE 9 2HD1 ILE 9 -7.972 -9.952 18.463 68 H GLY 10 H GLY 10 -8.768 -5.171 15.237 69 HA2 GLY 10 1HA GLY 10 -6.532 -3.241 15.307 70 HA3 GLY 10 2HA GLY 10 -7.098 -4.038 13.847 71 H THR 11 H THR 11 -7.131 -1.748 13.104 72 HA THR 11 HA THR 11 -9.822 -0.771 13.166 73 HB THR 11 HB THR 11 -8.783 1.618 13.817 74 HG1 THR 11 1HG THR 11 -7.113 -0.325 14.943 75 HG21 THR 11 3HG2 THR 11 -10.726 0.198 14.811 76 HG22 THR 11 1HG2 THR 11 -10.004 1.478 15.785 77 HG23 THR 11 2HG2 THR 11 -9.553 -0.204 16.065 78 H TYR 12 H TYR 12 -10.292 0.327 11.338 79 HA TYR 12 HA TYR 12 -8.044 1.252 9.677 80 HB2 TYR 12 1HB TYR 12 -10.471 -0.320 8.802 81 HB3 TYR 12 2HB TYR 12 -9.394 0.507 7.683 82 HD1 TYR 12 1HD TYR 12 -9.154 -1.891 10.546 83 HD2 TYR 12 2HD TYR 12 -7.753 -0.766 6.689 84 HE1 TYR 12 1HE TYR 12 -7.687 -3.865 10.510 85 HE2 TYR 12 2HE TYR 12 -6.283 -2.738 6.642 86 HH TYR 12 HH TYR 12 -6.521 -5.246 8.101 87 H GLU 13 H GLU 13 -8.873 3.208 11.013 88 HA GLU 13 HA GLU 13 -10.627 4.726 9.240 89 HB2 GLU 13 1HB GLU 13 -12.017 5.554 11.005 90 HB3 GLU 13 2HB GLU 13 -12.029 3.798 11.094 91 HG2 GLU 13 1HG GLU 13 -10.505 3.825 12.946 92 HG3 GLU 13 2HG GLU 13 -10.298 5.569 12.801 93 H ASN 14 H ASN 14 -10.680 7.110 10.046 94 HA ASN 14 HA ASN 14 -9.484 9.038 10.240 95 HB2 ASN 14 1HB ASN 14 -7.879 7.601 12.353 96 HB3 ASN 14 2HB ASN 14 -8.249 9.321 12.253 97 HD21 ASN 14 1HD2 ASN 14 -8.736 7.316 14.369 98 HD22 ASN 14 2HD2 ASN 14 -10.430 7.402 14.697 99 H ARG 15 H ARG 15 -8.506 6.961 8.393 100 HA ARG 15 HA ARG 15 -6.754 6.585 6.992 101 HB2 ARG 15 1HB ARG 15 -6.134 9.325 8.048 102 HB3 ARG 15 2HB ARG 15 -5.008 8.515 6.966 103 HG2 ARG 15 1HG ARG 15 -7.898 8.830 6.246 104 HG3 ARG 15 2HG ARG 15 -6.727 10.118 5.954 105 HD2 ARG 15 1HD ARG 15 -5.882 7.455 5.053 106 HD3 ARG 15 2HD ARG 15 -7.292 8.103 4.215 107 HE ARG 15 HE ARG 15 -5.084 9.944 4.430 108 HH11 ARG 15 1HH1 ARG 15 -6.564 7.417 2.547 109 HH12 ARG 15 2HH1 ARG 15 -5.804 7.896 1.066 110 HH21 ARG 15 1HH2 ARG 15 -4.078 10.585 2.486 111 HH22 ARG 15 2HH2 ARG 15 -4.389 9.698 1.032 112 H THR 16 H THR 16 -6.529 5.069 9.140 113 HA THR 16 HA THR 16 -3.691 4.751 9.439 114 HB THR 16 HB THR 16 -5.339 5.437 11.880 115 HG1 THR 16 1HG THR 16 -3.926 7.186 12.018 116 HG21 THR 16 3HG2 THR 16 -3.826 3.591 12.373 117 HG22 THR 16 1HG2 THR 16 -3.257 5.071 13.144 118 HG23 THR 16 2HG2 THR 16 -2.478 4.487 11.673 119 H LEU 17 H LEU 17 -3.632 2.658 8.904 120 HA LEU 17 HA LEU 17 -5.679 0.829 9.869 121 HB2 LEU 17 1HB LEU 17 -3.292 0.211 8.143 122 HB3 LEU 17 2HB LEU 17 -4.732 -0.779 8.372 123 HG LEU 17 HG LEU 17 -5.104 0.116 6.286 124 HD11 LEU 17 1HD1 LEU 17 -7.017 1.307 6.518 125 HD12 LEU 17 2HD1 LEU 17 -6.299 2.457 7.645 126 HD13 LEU 17 3HD1 LEU 17 -6.793 0.861 8.209 127 HD21 LEU 17 3HD2 LEU 17 -3.065 1.681 6.606 128 HD22 LEU 17 1HD2 LEU 17 -4.273 2.884 7.060 129 HD23 LEU 17 2HD2 LEU 17 -4.329 2.137 5.463 130 H LEU 18 H LEU 18 -5.391 -0.714 11.388 131 HA LEU 18 HA LEU 18 -2.691 -1.117 12.471 132 HB2 LEU 18 1HB LEU 18 -3.753 0.439 13.957 133 HB3 LEU 18 2HB LEU 18 -5.203 -0.561 14.037 134 HG LEU 18 HG LEU 18 -3.254 -2.261 14.959 135 HD11 LEU 18 1HD1 LEU 18 -1.472 -0.935 15.369 136 HD12 LEU 18 2HD1 LEU 18 -2.372 -0.571 16.841 137 HD13 LEU 18 3HD1 LEU 18 -2.444 0.533 15.468 138 HD21 LEU 18 3HD2 LEU 18 -5.484 -0.720 16.028 139 HD22 LEU 18 1HD2 LEU 18 -4.260 -1.104 17.239 140 HD23 LEU 18 2HD2 LEU 18 -5.022 -2.399 16.315 141 H VAL 19 H VAL 19 -2.195 -3.180 13.011 142 HA VAL 19 HA VAL 19 -4.239 -5.173 13.425 143 HB VAL 19 HB VAL 19 -3.117 -6.643 11.587 144 HG11 VAL 19 1HG1 VAL 19 -4.897 -6.185 10.146 145 HG12 VAL 19 2HG1 VAL 19 -5.492 -5.678 11.728 146 HG13 VAL 19 3HG1 VAL 19 -4.922 -4.474 10.571 147 HG21 VAL 19 3HG2 VAL 19 -1.362 -5.032 11.016 148 HG22 VAL 19 1HG2 VAL 19 -2.387 -5.389 9.626 149 HG23 VAL 19 2HG2 VAL 19 -2.590 -3.874 10.506 150 HA PRO 20 HA PRO 20 -1.102 -7.100 15.813 151 HB2 PRO 20 1HB PRO 20 -1.720 -9.730 15.541 152 HB3 PRO 20 2HB PRO 20 -2.694 -8.608 16.498 153 HG2 PRO 20 1HG PRO 20 -3.142 -9.602 13.710 154 HG3 PRO 20 2HG PRO 20 -4.313 -9.395 15.026 155 HD2 PRO 20 1HD PRO 20 -4.053 -7.603 13.014 156 HD3 PRO 20 2HD PRO 20 -4.514 -7.128 14.661 157 H ASP 21 H ASP 21 0.410 -6.330 13.985 158 HA ASP 21 HA ASP 21 2.297 -8.308 13.461 159 HB2 ASP 21 1HB ASP 21 0.148 -8.225 11.530 160 HB3 ASP 21 2HB ASP 21 1.685 -7.833 10.765 161 H GLY 22 H GLY 22 0.865 -5.253 12.513 162 HA2 GLY 22 1HA GLY 22 3.451 -3.976 12.633 163 HA3 GLY 22 2HA GLY 22 2.760 -4.020 11.018 164 H ARG 23 H ARG 23 2.894 -1.650 11.262 165 HA ARG 23 HA ARG 23 0.352 -0.633 12.244 166 HB2 ARG 23 1HB ARG 23 1.697 -0.260 14.183 167 HB3 ARG 23 2HB ARG 23 3.030 0.359 13.217 168 HG2 ARG 23 1HG ARG 23 2.243 2.423 13.351 169 HG3 ARG 23 2HG ARG 23 0.666 1.914 12.745 170 HD2 ARG 23 1HD ARG 23 -0.168 1.526 14.879 171 HD3 ARG 23 2HD ARG 23 1.440 1.392 15.588 172 HE ARG 23 HE ARG 23 0.821 3.999 14.528 173 HH11 ARG 23 1HH1 ARG 23 0.673 1.904 17.304 174 HH12 ARG 23 2HH1 ARG 23 0.574 3.205 18.443 175 HH21 ARG 23 1HH2 ARG 23 0.692 5.721 16.018 176 HH22 ARG 23 2HH2 ARG 23 0.584 5.375 17.711 177 H LEU 24 H LEU 24 -0.381 0.066 10.321 178 HA LEU 24 HA LEU 24 1.398 1.620 8.591 179 HB2 LEU 24 1HB LEU 24 -1.231 0.245 8.164 180 HB3 LEU 24 2HB LEU 24 -0.630 1.441 7.018 181 HG LEU 24 HG LEU 24 1.495 -0.309 7.322 182 HD11 LEU 24 1HD1 LEU 24 -0.773 -2.112 6.732 183 HD12 LEU 24 2HD1 LEU 24 -0.487 -1.713 8.426 184 HD13 LEU 24 3HD1 LEU 24 0.793 -2.455 7.467 185 HD21 LEU 24 3HD2 LEU 24 1.021 -0.917 5.043 186 HD22 LEU 24 1HD2 LEU 24 0.658 0.795 5.266 187 HD23 LEU 24 2HD2 LEU 24 -0.653 -0.384 5.206 188 H ALA 25 H ALA 25 0.270 3.476 7.405 189 HA ALA 25 HA ALA 25 -1.885 4.846 8.602 190 HB1 ALA 25 1HB ALA 25 0.666 6.278 9.190 191 HB2 ALA 25 2HB ALA 25 -0.920 6.446 9.945 192 HB3 ALA 25 3HB ALA 25 0.084 5.042 10.306 193 H LEU 26 H LEU 26 -2.693 6.124 7.073 194 HA LEU 26 HA LEU 26 -1.200 6.633 4.672 195 HB2 LEU 26 1HB LEU 26 -3.942 7.570 5.506 196 HB3 LEU 26 2HB LEU 26 -3.257 7.713 3.888 197 HG LEU 26 HG LEU 26 -4.681 5.890 3.711 198 HD11 LEU 26 1HD1 LEU 26 -2.081 5.498 3.276 199 HD12 LEU 26 2HD1 LEU 26 -3.292 4.243 3.011 200 HD13 LEU 26 3HD1 LEU 26 -2.344 4.254 4.499 201 HD21 LEU 26 3HD2 LEU 26 -3.632 4.636 6.228 202 HD22 LEU 26 1HD2 LEU 26 -5.116 4.275 5.346 203 HD23 LEU 26 2HD2 LEU 26 -4.974 5.782 6.251 204 H THR 27 H THR 27 0.390 8.107 4.875 205 HA THR 27 HA THR 27 0.154 10.457 6.486 206 HB THR 27 HB THR 27 2.286 11.119 5.164 207 HG1 THR 27 1HG THR 27 3.274 9.089 4.325 208 HG21 THR 27 3HG2 THR 27 3.591 10.006 6.715 209 HG22 THR 27 1HG2 THR 27 2.614 8.540 6.643 210 HG23 THR 27 2HG2 THR 27 2.008 9.963 7.491 211 H ALA 28 H ALA 28 0.555 10.057 2.959 212 HA ALA 28 HA ALA 28 -1.520 11.730 2.182 213 HB1 ALA 28 1HB ALA 28 -0.826 13.815 2.474 214 HB2 ALA 28 2HB ALA 28 0.620 13.207 3.281 215 HB3 ALA 28 3HB ALA 28 0.633 13.486 1.540 216 H LEU 29 H LEU 29 -1.727 10.289 0.511 217 HA LEU 29 HA LEU 29 0.299 9.302 -1.120 218 HB2 LEU 29 1HB LEU 29 -2.516 9.864 -2.021 219 HB3 LEU 29 2HB LEU 29 -1.411 8.640 -2.644 220 HG LEU 29 HG LEU 29 -2.083 8.394 0.214 221 HD11 LEU 29 1HD1 LEU 29 -4.227 9.146 -0.844 222 HD12 LEU 29 2HD1 LEU 29 -4.280 7.546 -0.104 223 HD13 LEU 29 3HD1 LEU 29 -4.156 7.703 -1.856 224 HD21 LEU 29 3HD2 LEU 29 -2.575 6.014 -0.990 225 HD22 LEU 29 1HD2 LEU 29 -0.997 6.523 -0.390 226 HD23 LEU 29 2HD2 LEU 29 -1.396 6.718 -2.097 227 H HIS 30 H HIS 30 1.284 9.983 -2.963 228 HA HIS 30 HA HIS 30 0.535 12.637 -3.996 229 HB2 HIS 30 1HB HIS 30 3.336 11.589 -3.537 230 HB3 HIS 30 2HB HIS 30 2.947 13.099 -4.356 231 HD1 HIS 30 1HD HIS 30 0.876 14.275 -2.459 232 HD2 HIS 30 2HD HIS 30 4.377 12.439 -1.181 233 HE1 HIS 30 1HE HIS 30 1.318 15.196 -0.161 234 H LYS 31 H LYS 31 1.026 13.019 -6.217 235 HA LYS 31 HA LYS 31 1.160 10.535 -7.785 236 HB2 LYS 31 1HB LYS 31 -0.371 13.023 -8.034 237 HB3 LYS 31 2HB LYS 31 0.372 12.502 -9.540 238 HG2 LYS 31 1HG LYS 31 -0.663 10.210 -9.020 239 HG3 LYS 31 2HG LYS 31 -1.663 11.089 -7.861 240 HD2 LYS 31 1HD LYS 31 -2.927 11.008 -9.849 241 HD3 LYS 31 2HD LYS 31 -2.262 12.641 -9.782 242 HE2 LYS 31 1HE LYS 31 -0.317 11.558 -11.176 243 HE3 LYS 31 2HE LYS 31 -1.552 10.366 -11.576 244 HZ1 LYS 31 3HZ LYS 31 -2.745 11.864 -12.769 245 HZ2 LYS 31 1HZ LYS 31 -1.210 12.540 -12.995 246 HZ3 LYS 31 2HZ LYS 31 -2.258 13.190 -11.838 247 H GLY 32 H GLY 32 2.695 10.240 -9.328 248 HA2 GLY 32 1HA GLY 32 4.578 12.468 -9.788 249 HA3 GLY 32 2HA GLY 32 5.147 10.838 -9.459 250 H LYS 33 H LYS 33 6.290 11.121 -11.512 251 HA LYS 33 HA LYS 33 4.540 10.451 -13.785 252 HB2 LYS 33 1HB LYS 33 6.709 12.469 -13.571 253 HB3 LYS 33 2HB LYS 33 6.631 11.545 -15.065 254 HG2 LYS 33 1HG LYS 33 4.192 12.215 -15.190 255 HG3 LYS 33 2HG LYS 33 4.545 13.357 -13.892 256 HD2 LYS 33 1HD LYS 33 6.286 13.338 -16.313 257 HD3 LYS 33 2HD LYS 33 4.691 14.089 -16.413 258 HE2 LYS 33 1HE LYS 33 5.573 15.921 -15.515 259 HE3 LYS 33 2HE LYS 33 5.809 15.014 -14.021 260 HZ1 LYS 33 3HZ LYS 33 7.867 16.025 -14.760 261 HZ2 LYS 33 1HZ LYS 33 7.763 15.227 -16.248 262 HZ3 LYS 33 2HZ LYS 33 7.990 14.339 -14.827 263 H ASP 34 H ASP 34 5.495 9.093 -15.411 264 HA ASP 34 HA ASP 34 7.818 7.551 -14.461 265 HB2 ASP 34 1HB ASP 34 6.800 5.503 -15.004 266 HB3 ASP 34 2HB ASP 34 5.523 6.418 -14.207 267 H TYR 35 H TYR 35 7.853 5.797 -16.696 268 HA TYR 35 HA TYR 35 9.480 7.177 -18.464 269 HB2 TYR 35 1HB TYR 35 8.954 5.220 -20.046 270 HB3 TYR 35 2HB TYR 35 9.672 4.834 -18.486 271 HD1 TYR 35 2HD TYR 35 6.488 4.876 -20.375 272 HD2 TYR 35 1HD TYR 35 8.542 3.452 -16.932 273 HE1 TYR 35 2HE TYR 35 4.624 3.343 -19.904 274 HE2 TYR 35 1HE TYR 35 6.684 1.914 -16.453 275 HH TYR 35 HH TYR 35 3.935 1.610 -18.658 276 H GLN 36 H GLN 36 6.006 6.676 -18.536 277 HA GLN 36 HA GLN 36 5.812 8.078 -21.098 278 HB2 GLN 36 1HB GLN 36 3.959 6.347 -19.512 279 HB3 GLN 36 2HB GLN 36 3.286 7.488 -20.669 280 HG2 GLN 36 1HG GLN 36 5.352 6.162 -22.015 281 HG3 GLN 36 2HG GLN 36 4.475 4.921 -21.121 282 HE21 GLN 36 1HE2 GLN 36 2.249 4.635 -21.532 283 HE22 GLN 36 2HE2 GLN 36 1.543 5.154 -23.021 284 H GLY 37 H GLY 37 6.438 9.278 -18.375 285 HA2 GLY 37 1HA GLY 37 5.674 11.003 -17.005 286 HA3 GLY 37 2HA GLY 37 5.548 11.781 -18.575 287 H LYS 38 H LYS 38 3.612 9.208 -17.065 288 HA LYS 38 HA LYS 38 1.358 10.943 -16.669 289 HB2 LYS 38 1HB LYS 38 1.607 9.384 -19.132 290 HB3 LYS 38 2HB LYS 38 0.118 9.054 -18.255 291 HG2 LYS 38 1HG LYS 38 -0.668 11.204 -18.508 292 HG3 LYS 38 2HG LYS 38 0.946 11.878 -18.748 293 HD2 LYS 38 1HD LYS 38 -0.438 10.050 -20.707 294 HD3 LYS 38 2HD LYS 38 -0.454 11.812 -20.813 295 HE2 LYS 38 1HE LYS 38 2.126 11.589 -20.705 296 HE3 LYS 38 2HE LYS 38 1.835 9.911 -21.161 297 HZ1 LYS 38 3HZ LYS 38 2.192 11.772 -22.955 298 HZ2 LYS 38 1HZ LYS 38 0.532 12.009 -22.732 299 HZ3 LYS 38 2HZ LYS 38 1.112 10.497 -23.221 300 HA PRO 39 HA PRO 39 0.071 6.523 -15.303 301 HB2 PRO 39 1HB PRO 39 1.586 4.426 -16.125 302 HB3 PRO 39 2HB PRO 39 0.234 5.061 -17.068 303 HG2 PRO 39 1HG PRO 39 3.167 5.566 -17.387 304 HG3 PRO 39 2HG PRO 39 1.944 5.254 -18.632 305 HD2 PRO 39 1HD PRO 39 2.843 7.744 -18.064 306 HD3 PRO 39 2HD PRO 39 1.182 7.429 -18.607 307 H MET 40 H MET 40 0.883 7.424 -13.343 308 HA MET 40 HA MET 40 2.837 5.789 -12.059 309 HB2 MET 40 1HB MET 40 3.983 7.824 -13.431 310 HB3 MET 40 2HB MET 40 3.678 8.618 -11.892 311 HG2 MET 40 1HG MET 40 5.041 5.959 -12.005 312 HG3 MET 40 2HG MET 40 5.936 7.454 -12.267 313 HE1 MET 40 3HE MET 40 6.159 5.097 -9.665 314 HE2 MET 40 1HE MET 40 5.022 5.521 -8.384 315 HE3 MET 40 2HE MET 40 4.422 5.001 -9.959 316 H PHE 41 H PHE 41 2.732 5.930 -9.828 317 HA PHE 41 HA PHE 41 1.271 8.073 -8.557 318 HB2 PHE 41 1HB PHE 41 -0.700 6.961 -8.927 319 HB3 PHE 41 2HB PHE 41 0.081 5.386 -9.018 320 HD1 PHE 41 1HD PHE 41 -1.363 7.906 -6.802 321 HD2 PHE 41 2HD PHE 41 0.494 4.083 -7.029 322 HE1 PHE 41 1HE PHE 41 -2.072 7.429 -4.495 323 HE2 PHE 41 2HE PHE 41 -0.213 3.599 -4.722 324 HZ PHE 41 HZ PHE 41 -1.498 5.273 -3.452 325 H TYR 42 H TYR 42 1.634 8.200 -6.349 326 HA TYR 42 HA TYR 42 3.495 6.201 -5.244 327 HB2 TYR 42 1HB TYR 42 3.556 9.206 -5.029 328 HB3 TYR 42 2HB TYR 42 4.412 8.174 -3.888 329 HD1 TYR 42 2HD TYR 42 5.566 6.091 -5.497 330 HD2 TYR 42 1HD TYR 42 5.098 10.218 -6.419 331 HE1 TYR 42 2HE TYR 42 7.473 5.956 -7.044 332 HE2 TYR 42 1HE TYR 42 7.003 10.094 -7.970 333 HH TYR 42 HH TYR 42 9.194 7.630 -7.996 334 H VAL 43 H VAL 43 2.889 5.285 -3.394 335 HA VAL 43 HA VAL 43 0.577 6.418 -1.978 336 HB VAL 43 HB VAL 43 0.099 4.200 -2.637 337 HG11 VAL 43 1HG1 VAL 43 2.354 3.486 -3.197 338 HG12 VAL 43 2HG1 VAL 43 2.770 3.403 -1.484 339 HG13 VAL 43 3HG1 VAL 43 1.572 2.297 -2.156 340 HG21 VAL 43 3HG2 VAL 43 -0.702 3.533 -0.658 341 HG22 VAL 43 1HG2 VAL 43 0.910 3.368 0.036 342 HG23 VAL 43 2HG2 VAL 43 0.119 4.944 0.008 343 H LEU 44 H LEU 44 1.595 7.911 -0.655 344 HA LEU 44 HA LEU 44 3.891 7.299 0.912 345 HB2 LEU 44 1HB LEU 44 1.857 9.508 1.004 346 HB3 LEU 44 2HB LEU 44 3.177 9.398 2.167 347 HG LEU 44 HG LEU 44 3.723 10.987 0.429 348 HD11 LEU 44 1HD1 LEU 44 5.826 10.334 0.656 349 HD12 LEU 44 2HD1 LEU 44 5.586 9.096 -0.577 350 HD13 LEU 44 3HD1 LEU 44 5.280 8.722 1.119 351 HD21 LEU 44 3HD2 LEU 44 2.238 9.764 -1.279 352 HD22 LEU 44 1HD2 LEU 44 3.670 8.787 -1.606 353 HD23 LEU 44 2HD2 LEU 44 3.718 10.533 -1.855 354 H PHE 45 H PHE 45 3.668 5.583 2.254 355 HA PHE 45 HA PHE 45 1.537 5.754 4.282 356 HB2 PHE 45 1HB PHE 45 1.479 3.326 4.377 357 HB3 PHE 45 2HB PHE 45 1.200 3.859 2.722 358 HD1 PHE 45 2HD PHE 45 3.704 2.410 5.014 359 HD2 PHE 45 1HD PHE 45 2.643 3.219 0.972 360 HE1 PHE 45 2HE PHE 45 5.541 0.964 4.246 361 HE2 PHE 45 1HE PHE 45 4.477 1.773 0.197 362 HZ PHE 45 HZ PHE 45 5.930 0.645 1.835 363 H GLU 46 H GLU 46 2.067 5.070 6.403 364 HA GLU 46 HA GLU 46 4.953 5.195 6.969 365 HB2 GLU 46 1HB GLU 46 3.230 6.936 7.890 366 HB3 GLU 46 2HB GLU 46 2.844 5.668 9.045 367 HG2 GLU 46 1HG GLU 46 5.366 5.602 9.510 368 HG3 GLU 46 2HG GLU 46 5.413 7.158 8.683 369 H LEU 47 H LEU 47 5.008 2.869 6.470 370 HA LEU 47 HA LEU 47 3.661 1.050 8.248 371 HB2 LEU 47 1HB LEU 47 4.089 0.377 5.973 372 HB3 LEU 47 2HB LEU 47 5.820 0.633 6.187 373 HG LEU 47 HG LEU 47 4.852 -1.778 6.207 374 HD11 LEU 47 1HD1 LEU 47 7.148 -0.633 7.146 375 HD12 LEU 47 2HD1 LEU 47 6.839 -2.366 7.042 376 HD13 LEU 47 3HD1 LEU 47 6.562 -1.511 8.560 377 HD21 LEU 47 3HD2 LEU 47 3.817 -2.559 8.076 378 HD22 LEU 47 1HD2 LEU 47 3.234 -0.895 8.119 379 HD23 LEU 47 2HD2 LEU 47 4.592 -1.379 9.135 380 H THR 48 H THR 48 4.284 0.917 10.301 381 HA THR 48 HA THR 48 7.106 1.259 10.989 382 HB THR 48 HB THR 48 4.959 0.832 13.034 383 HG1 THR 48 1HG THR 48 5.518 3.305 11.727 384 HG21 THR 48 3HG2 THR 48 6.532 2.778 13.986 385 HG22 THR 48 1HG2 THR 48 7.680 1.998 12.899 386 HG23 THR 48 2HG2 THR 48 6.908 1.066 14.183 387 H ASN 49 H ASN 49 8.301 -0.528 10.950 388 HA ASN 49 HA ASN 49 7.249 -3.151 11.102 389 HB2 ASN 49 1HB ASN 49 9.457 -2.343 10.032 390 HB3 ASN 49 2HB ASN 49 10.127 -2.465 11.657 391 HD21 ASN 49 1HD2 ASN 49 11.351 -4.209 11.687 392 HD22 ASN 49 2HD2 ASN 49 10.891 -5.778 11.128 393 H THR 50 H THR 50 6.170 -3.643 12.943 394 HA THR 50 HA THR 50 7.236 -2.964 15.542 395 HB THR 50 HB THR 50 4.768 -2.995 15.011 396 HG1 THR 50 1HG THR 50 5.301 -2.984 17.159 397 HG21 THR 50 3HG2 THR 50 4.540 -5.848 15.598 398 HG22 THR 50 1HG2 THR 50 5.285 -5.513 14.036 399 HG23 THR 50 2HG2 THR 50 3.687 -4.866 14.407 400 H THR 51 H THR 51 7.657 -5.480 13.339 401 HA THR 51 HA THR 51 7.900 -7.714 15.032 402 HB THR 51 HB THR 51 9.765 -8.101 12.987 403 HG1 THR 51 1HG THR 51 7.484 -6.859 11.851 404 HG21 THR 51 3HG2 THR 51 7.864 -9.562 13.891 405 HG22 THR 51 1HG2 THR 51 8.218 -9.668 12.168 406 HG23 THR 51 2HG2 THR 51 6.836 -8.727 12.728 407 H GLU 52 H GLU 52 10.366 -8.802 14.689 408 HA GLU 52 HA GLU 52 12.206 -6.900 15.979 409 HB2 GLU 52 1HB GLU 52 12.914 -8.555 17.549 410 HB3 GLU 52 2HB GLU 52 11.158 -8.493 17.610 411 HG2 GLU 52 1HG GLU 52 11.355 -10.441 15.859 412 HG3 GLU 52 2HG GLU 52 12.948 -10.632 16.588 413 H LYS 53 H LYS 53 11.832 -8.151 13.208 414 HA LYS 53 HA LYS 53 14.570 -9.212 12.939 415 HB2 LYS 53 1HB LYS 53 12.060 -9.867 11.401 416 HB3 LYS 53 2HB LYS 53 13.663 -10.277 10.806 417 HG2 LYS 53 1HG LYS 53 12.917 -11.133 13.552 418 HG3 LYS 53 2HG LYS 53 12.223 -11.996 12.178 419 HD2 LYS 53 1HD LYS 53 14.108 -13.221 12.303 420 HD3 LYS 53 2HD LYS 53 14.829 -11.862 11.439 421 HE2 LYS 53 1HE LYS 53 16.300 -12.047 13.179 422 HE3 LYS 53 2HE LYS 53 15.141 -10.920 13.883 423 HZ1 LYS 53 3HZ LYS 53 14.503 -12.412 15.399 424 HZ2 LYS 53 1HZ LYS 53 15.939 -13.224 15.024 425 HZ3 LYS 53 2HZ LYS 53 14.487 -13.697 14.298 426 H THR 54 H THR 54 15.603 -8.762 10.832 427 HA THR 54 HA THR 54 14.894 -6.059 9.906 428 HB THR 54 HB THR 54 17.572 -7.298 9.383 429 HG1 THR 54 1HG THR 54 18.041 -7.248 11.438 430 HG21 THR 54 3HG2 THR 54 16.422 -4.540 9.581 431 HG22 THR 54 1HG2 THR 54 17.388 -5.257 8.292 432 HG23 THR 54 2HG2 THR 54 18.151 -4.798 9.814 433 H GLN 55 H GLN 55 13.844 -8.704 8.949 434 HA GLN 55 HA GLN 55 14.929 -9.362 6.452 435 HB2 GLN 55 1HB GLN 55 12.021 -9.583 7.232 436 HB3 GLN 55 2HB GLN 55 12.874 -10.538 6.027 437 HG2 GLN 55 1HG GLN 55 13.838 -11.887 7.569 438 HG3 GLN 55 2HG GLN 55 13.919 -10.619 8.791 439 HE21 GLN 55 1HE2 GLN 55 11.557 -9.834 9.359 440 HE22 GLN 55 2HE2 GLN 55 10.481 -11.116 9.791 441 H ASN 56 H ASN 56 13.242 -9.198 4.457 442 HA ASN 56 HA ASN 56 13.494 -6.632 3.443 443 HB2 ASN 56 1HB ASN 56 12.926 -8.893 2.265 444 HB3 ASN 56 2HB ASN 56 11.254 -8.412 2.538 445 HD21 ASN 56 1HD2 ASN 56 14.215 -7.678 0.874 446 HD22 ASN 56 2HD2 ASN 56 13.534 -6.578 -0.271 447 H ILE 57 H ILE 57 11.470 -5.392 2.560 448 HA ILE 57 HA ILE 57 9.803 -4.789 4.900 449 HB ILE 57 HB ILE 57 10.077 -3.063 2.450 450 HG12 ILE 57 1HG1 ILE 57 11.782 -3.040 4.949 451 HG13 ILE 57 2HG1 ILE 57 12.325 -3.430 3.321 452 HG21 ILE 57 1HG2 ILE 57 8.539 -2.930 4.827 453 HG22 ILE 57 2HG2 ILE 57 9.731 -1.632 4.878 454 HG23 ILE 57 3HG2 ILE 57 8.627 -1.762 3.509 455 HD11 ILE 57 3HD1 ILE 57 11.107 -0.880 3.232 456 HD12 ILE 57 1HD1 ILE 57 12.215 -0.906 4.604 457 HD13 ILE 57 2HD1 ILE 57 12.802 -1.302 2.988 458 H GLN 58 H GLN 58 9.510 -4.936 1.347 459 HA GLN 58 HA GLN 58 6.786 -4.776 1.095 460 HB2 GLN 58 1HB GLN 58 8.079 -4.800 -0.885 461 HB3 GLN 58 2HB GLN 58 8.814 -6.346 -0.482 462 HG2 GLN 58 1HG GLN 58 6.674 -7.462 -0.826 463 HG3 GLN 58 2HG GLN 58 5.927 -5.913 -1.214 464 HE21 GLN 58 1HE2 GLN 58 7.613 -4.711 -2.862 465 HE22 GLN 58 2HE2 GLN 58 7.880 -5.642 -4.293 466 H LEU 59 H LEU 59 8.683 -7.453 2.255 467 HA LEU 59 HA LEU 59 6.983 -9.594 1.947 468 HB2 LEU 59 1HB LEU 59 9.258 -8.962 3.517 469 HB3 LEU 59 2HB LEU 59 8.067 -9.712 4.578 470 HG LEU 59 HG LEU 59 9.536 -11.414 3.774 471 HD11 LEU 59 1HD1 LEU 59 7.976 -12.953 3.081 472 HD12 LEU 59 2HD1 LEU 59 7.156 -11.807 2.021 473 HD13 LEU 59 3HD1 LEU 59 6.942 -11.700 3.768 474 HD21 LEU 59 3HD2 LEU 59 10.527 -11.303 1.793 475 HD22 LEU 59 1HD2 LEU 59 9.596 -9.850 1.427 476 HD23 LEU 59 2HD2 LEU 59 8.968 -11.435 0.976 477 H MET 60 H MET 60 6.709 -6.888 4.129 478 HA MET 60 HA MET 60 4.466 -8.128 5.531 479 HB2 MET 60 1HB MET 60 5.560 -5.367 6.026 480 HB3 MET 60 2HB MET 60 4.640 -6.388 7.124 481 HG2 MET 60 1HG MET 60 6.904 -7.876 6.517 482 HG3 MET 60 2HG MET 60 7.487 -6.223 6.704 483 HE1 MET 60 3HE MET 60 6.459 -5.070 10.000 484 HE2 MET 60 1HE MET 60 5.880 -4.853 8.348 485 HE3 MET 60 2HE MET 60 4.866 -5.670 9.537 486 H ILE 61 H ILE 61 5.180 -5.170 3.685 487 HA ILE 61 HA ILE 61 2.676 -4.026 3.641 488 HB ILE 61 HB ILE 61 4.759 -4.079 1.459 489 HG12 ILE 61 1HG1 ILE 61 5.477 -3.030 3.554 490 HG13 ILE 61 2HG1 ILE 61 5.283 -1.821 2.289 491 HG21 ILE 61 1HG2 ILE 61 2.050 -3.033 1.448 492 HG22 ILE 61 2HG2 ILE 61 3.257 -1.793 1.112 493 HG23 ILE 61 3HG2 ILE 61 3.185 -3.246 0.116 494 HD11 ILE 61 3HD1 ILE 61 3.068 -1.261 3.231 495 HD12 ILE 61 1HD1 ILE 61 3.381 -2.393 4.547 496 HD13 ILE 61 2HD1 ILE 61 4.403 -0.969 4.346 497 H GLN 62 H GLN 62 3.988 -6.402 1.337 498 HA GLN 62 HA GLN 62 1.794 -6.608 -0.344 499 HB2 GLN 62 1HB GLN 62 4.127 -8.269 0.306 500 HB3 GLN 62 2HB GLN 62 2.748 -9.176 -0.302 501 HG2 GLN 62 1HG GLN 62 2.709 -7.406 -2.180 502 HG3 GLN 62 2HG GLN 62 4.355 -7.054 -1.657 503 HE21 GLN 62 1HE2 GLN 62 5.668 -9.166 -1.312 504 HE22 GLN 62 2HE2 GLN 62 5.580 -10.296 -2.616 505 H SER 63 H SER 63 2.239 -7.813 2.871 506 HA SER 63 HA SER 63 -0.106 -9.542 2.686 507 HB2 SER 63 1HB SER 63 2.252 -9.767 4.103 508 HB3 SER 63 2HB SER 63 1.108 -9.233 5.334 509 HG SER 63 HG SER 63 1.365 -11.622 4.749 510 H PHE 64 H PHE 64 0.782 -6.396 3.699 511 HA PHE 64 HA PHE 64 -1.476 -6.083 5.497 512 HB2 PHE 64 1HB PHE 64 0.794 -4.316 4.635 513 HB3 PHE 64 2HB PHE 64 -0.606 -3.630 5.453 514 HD1 PHE 64 1HD PHE 64 -1.277 -5.586 7.460 515 HD2 PHE 64 2HD PHE 64 2.553 -4.304 6.116 516 HE1 PHE 64 1HE PHE 64 -0.310 -6.205 9.636 517 HE2 PHE 64 2HE PHE 64 3.526 -4.923 8.289 518 HZ PHE 64 HZ PHE 64 2.095 -5.875 10.052 519 H MET 65 H MET 65 -0.395 -3.928 2.890 520 HA MET 65 HA MET 65 -3.197 -3.501 2.164 521 HB2 MET 65 1HB MET 65 -2.256 -1.588 0.822 522 HB3 MET 65 2HB MET 65 -2.024 -1.465 2.561 523 HG2 MET 65 1HG MET 65 0.272 -2.185 2.340 524 HG3 MET 65 2HG MET 65 0.053 -2.428 0.609 525 HE1 MET 65 3HE MET 65 -0.984 0.782 -0.686 526 HE2 MET 65 1HE MET 65 0.674 0.368 -1.122 527 HE3 MET 65 2HE MET 65 -0.536 -0.904 -0.954 528 H GLU 66 H GLU 66 -3.807 -3.412 -0.102 529 HA GLU 66 HA GLU 66 -2.071 -4.914 -1.920 530 HB2 GLU 66 1HB GLU 66 -4.461 -5.939 -0.691 531 HB3 GLU 66 2HB GLU 66 -4.699 -5.811 -2.428 532 HG2 GLU 66 1HG GLU 66 -2.490 -7.297 -1.026 533 HG3 GLU 66 2HG GLU 66 -3.874 -8.002 -1.860 534 H VAL 67 H VAL 67 -2.297 -4.396 -4.070 535 HA VAL 67 HA VAL 67 -4.425 -2.553 -4.856 536 HB VAL 67 HB VAL 67 -1.561 -1.914 -5.533 537 HG11 VAL 67 1HG1 VAL 67 -3.595 -1.069 -6.873 538 HG12 VAL 67 2HG1 VAL 67 -3.885 -0.024 -5.481 539 HG13 VAL 67 3HG1 VAL 67 -2.370 0.098 -6.376 540 HG21 VAL 67 3HG2 VAL 67 -1.500 -1.625 -3.229 541 HG22 VAL 67 1HG2 VAL 67 -1.954 -0.023 -3.810 542 HG23 VAL 67 2HG2 VAL 67 -3.182 -1.102 -3.149 543 H SER 68 H SER 68 -5.322 -3.407 -6.602 544 HA SER 68 HA SER 68 -3.582 -4.748 -8.567 545 HB2 SER 68 1HB SER 68 -6.474 -5.435 -8.002 546 HB3 SER 68 2HB SER 68 -5.359 -6.306 -9.056 547 HG SER 68 HG SER 68 -4.322 -7.103 -7.334 548 H GLN 69 H GLN 69 -6.550 -2.879 -8.090 549 HA GLN 69 HA GLN 69 -7.606 -1.347 -9.401 550 HB2 GLN 69 1HB GLN 69 -4.834 -1.280 -10.308 551 HB3 GLN 69 2HB GLN 69 -5.969 -0.829 -11.572 552 HG2 GLN 69 1HG GLN 69 -6.971 0.799 -9.938 553 HG3 GLN 69 2HG GLN 69 -5.602 0.455 -8.882 554 HE21 GLN 69 1HE2 GLN 69 -6.615 1.866 -11.901 555 HE22 GLN 69 2HE2 GLN 69 -5.175 2.777 -12.188 556 H THR 70 H THR 70 -9.262 -1.771 -10.695 557 HA THR 70 HA THR 70 -9.519 -4.148 -12.143 558 HB THR 70 HB THR 70 -11.148 -1.808 -12.998 559 HG1 THR 70 1HG THR 70 -11.644 -3.025 -10.490 560 HG21 THR 70 3HG2 THR 70 -12.896 -3.703 -12.321 561 HG22 THR 70 1HG2 THR 70 -11.481 -4.727 -12.563 562 HG23 THR 70 2HG2 THR 70 -12.064 -3.704 -13.876 563 H VAL 71 H VAL 71 -8.332 -4.692 -13.855 564 HA VAL 71 HA VAL 71 -7.817 -2.642 -15.910 565 HB VAL 71 HB VAL 71 -5.781 -3.667 -16.469 566 HG11 VAL 71 1HG1 VAL 71 -4.533 -3.310 -14.584 567 HG12 VAL 71 2HG1 VAL 71 -6.054 -2.563 -14.091 568 HG13 VAL 71 3HG1 VAL 71 -5.651 -4.191 -13.543 569 HG21 VAL 71 3HG2 VAL 71 -5.065 -5.850 -15.540 570 HG22 VAL 71 1HG2 VAL 71 -6.657 -6.023 -14.802 571 HG23 VAL 71 2HG2 VAL 71 -6.500 -5.968 -16.558 572 H HIS 72 H HIS 72 -8.464 -3.013 -17.954 573 HA HIS 72 HA HIS 72 -9.600 -3.948 -19.692 574 HB2 HIS 72 1HB HIS 72 -7.821 -6.060 -18.668 575 HB3 HIS 72 2HB HIS 72 -9.167 -6.643 -19.642 576 HD1 HIS 72 1HD HIS 72 -9.384 -5.075 -22.005 577 HD2 HIS 72 2HD HIS 72 -5.670 -5.549 -20.203 578 HE1 HIS 72 1HE HIS 72 -7.696 -4.562 -23.797 579 H GLY 73 H GLY 73 -10.787 -3.908 -16.891 580 HA2 GLY 73 1HA GLY 73 -13.051 -4.247 -16.344 581 HA3 GLY 73 2HA GLY 73 -13.146 -5.479 -17.593 582 H LYS 74 H LYS 74 -10.522 -5.533 -15.329 583 HA LYS 74 HA LYS 74 -11.748 -7.193 -13.376 584 HB2 LYS 74 1HB LYS 74 -10.523 -8.467 -15.735 585 HB3 LYS 74 2HB LYS 74 -9.986 -9.107 -14.188 586 HG2 LYS 74 1HG LYS 74 -12.849 -8.797 -14.225 587 HG3 LYS 74 2HG LYS 74 -12.298 -9.778 -15.585 588 HD2 LYS 74 1HD LYS 74 -11.073 -11.230 -14.051 589 HD3 LYS 74 2HD LYS 74 -11.590 -10.237 -12.686 590 HE2 LYS 74 1HE LYS 74 -13.579 -11.245 -12.587 591 HE3 LYS 74 2HE LYS 74 -13.821 -11.109 -14.328 592 HZ1 LYS 74 3HZ LYS 74 -13.002 -13.168 -14.696 593 HZ2 LYS 74 1HZ LYS 74 -13.522 -13.426 -13.106 594 HZ3 LYS 74 2HZ LYS 74 -11.893 -13.097 -13.421 595 H ALA 75 H ALA 75 -10.542 -7.212 -11.564 596 HA ALA 75 HA ALA 75 -8.389 -5.547 -11.188 597 HB1 ALA 75 1HB ALA 75 -8.045 -6.624 -9.068 598 HB2 ALA 75 2HB ALA 75 -9.777 -6.547 -9.391 599 HB3 ALA 75 3HB ALA 75 -8.906 -8.064 -9.612 600 H GLN 76 H GLN 76 -6.138 -5.941 -10.800 601 HA GLN 76 HA GLN 76 -4.952 -8.424 -11.638 602 HB2 GLN 76 1HB GLN 76 -5.176 -7.662 -13.834 603 HB3 GLN 76 2HB GLN 76 -4.873 -5.989 -13.387 604 HG2 GLN 76 1HG GLN 76 -2.544 -6.425 -13.074 605 HG3 GLN 76 2HG GLN 76 -2.792 -8.157 -13.290 606 HE21 GLN 76 1HE2 GLN 76 -1.646 -5.508 -14.758 607 HE22 GLN 76 2HE2 GLN 76 -1.894 -5.936 -16.413 608 H ASN 77 H ASN 77 -3.149 -8.739 -10.506 609 HA ASN 77 HA ASN 77 -2.231 -7.063 -8.532 610 HB2 ASN 77 1HB ASN 77 -0.204 -8.439 -8.471 611 HB3 ASN 77 2HB ASN 77 -1.634 -9.445 -8.686 612 HD21 ASN 77 1HD2 ASN 77 -2.094 -10.240 -10.816 613 HD22 ASN 77 2HD2 ASN 77 -0.801 -10.501 -11.933 614 H LEU 78 H LEU 78 -1.675 -4.997 -8.867 615 HA LEU 78 HA LEU 78 -0.482 -3.971 -11.192 616 HB2 LEU 78 1HB LEU 78 -0.582 -2.904 -8.378 617 HB3 LEU 78 2HB LEU 78 0.047 -1.989 -9.748 618 HG LEU 78 HG LEU 78 -2.792 -2.909 -9.319 619 HD11 LEU 78 1HD1 LEU 78 -1.719 -0.812 -8.175 620 HD12 LEU 78 2HD1 LEU 78 -3.327 -0.721 -8.893 621 HD13 LEU 78 3HD1 LEU 78 -1.932 -0.093 -9.771 622 HD21 LEU 78 3HD2 LEU 78 -2.233 -3.144 -11.665 623 HD22 LEU 78 1HD2 LEU 78 -1.557 -1.515 -11.692 624 HD23 LEU 78 2HD2 LEU 78 -3.286 -1.748 -11.431 625 H GLN 79 H GLN 79 1.495 -4.310 -11.937 626 HA GLN 79 HA GLN 79 3.576 -5.361 -10.248 627 HB2 GLN 79 1HB GLN 79 3.731 -4.489 -13.138 628 HB3 GLN 79 2HB GLN 79 4.899 -5.488 -12.283 629 HG2 GLN 79 1HG GLN 79 2.038 -6.316 -12.632 630 HG3 GLN 79 2HG GLN 79 3.280 -6.667 -13.833 631 HE21 GLN 79 1HE2 GLN 79 2.762 -8.898 -13.406 632 HE22 GLN 79 2HE2 GLN 79 3.475 -9.697 -12.050 633 H TYR 80 H TYR 80 5.777 -4.407 -10.256 634 HA TYR 80 HA TYR 80 5.867 -1.924 -9.095 635 HB2 TYR 80 1HB TYR 80 7.718 -3.565 -9.050 636 HB3 TYR 80 2HB TYR 80 8.072 -3.192 -10.733 637 HD1 TYR 80 1HD TYR 80 7.639 -1.397 -7.479 638 HD2 TYR 80 2HD TYR 80 9.773 -1.693 -11.147 639 HE1 TYR 80 1HE TYR 80 9.123 0.426 -6.755 640 HE2 TYR 80 2HE TYR 80 11.264 0.128 -10.434 641 HH TYR 80 HH TYR 80 11.503 1.826 -8.921 642 H ALA 81 H ALA 81 5.739 0.115 -9.773 643 HA ALA 81 HA ALA 81 5.280 0.668 -12.559 644 HB1 ALA 81 1HB ALA 81 4.880 2.040 -10.024 645 HB2 ALA 81 2HB ALA 81 5.448 3.112 -11.305 646 HB3 ALA 81 3HB ALA 81 3.979 2.164 -11.535 647 H VAL 82 H VAL 82 7.044 0.579 -13.831 648 HA VAL 82 HA VAL 82 9.645 1.386 -12.996 649 HB VAL 82 HB VAL 82 8.554 0.838 -15.758 650 HG11 VAL 82 1HG1 VAL 82 11.212 1.731 -14.819 651 HG12 VAL 82 2HG1 VAL 82 11.185 0.453 -16.035 652 HG13 VAL 82 3HG1 VAL 82 10.404 2.000 -16.363 653 HG21 VAL 82 3HG2 VAL 82 8.545 -1.074 -14.187 654 HG22 VAL 82 1HG2 VAL 82 9.641 -1.308 -15.549 655 HG23 VAL 82 2HG2 VAL 82 10.283 -0.866 -13.966 656 H LEU 83 H LEU 83 10.743 3.258 -13.331 657 HA LEU 83 HA LEU 83 9.544 5.367 -14.947 658 HB2 LEU 83 1HB LEU 83 9.940 7.002 -13.067 659 HB3 LEU 83 2HB LEU 83 8.570 5.908 -12.880 660 HG LEU 83 HG LEU 83 10.290 4.490 -11.495 661 HD11 LEU 83 1HD1 LEU 83 12.203 5.445 -10.874 662 HD12 LEU 83 2HD1 LEU 83 11.416 6.982 -10.519 663 HD13 LEU 83 3HD1 LEU 83 11.918 6.609 -12.168 664 HD21 LEU 83 3HD2 LEU 83 8.545 6.754 -10.795 665 HD22 LEU 83 1HD2 LEU 83 9.707 6.277 -9.557 666 HD23 LEU 83 2HD2 LEU 83 8.559 5.097 -10.190 667 H THR 84 H THR 84 11.019 6.676 -15.901 668 HA THR 84 HA THR 84 13.662 5.889 -16.165 669 HB THR 84 HB THR 84 14.078 7.938 -17.327 670 HG1 THR 84 1HG THR 84 13.302 9.502 -15.970 671 HG21 THR 84 3HG2 THR 84 12.719 7.378 -19.005 672 HG22 THR 84 1HG2 THR 84 11.302 7.945 -18.122 673 HG23 THR 84 2HG2 THR 84 11.886 6.298 -17.888 674 H ASP 85 H ASP 85 12.265 8.338 -14.025 675 HA ASP 85 HA ASP 85 14.186 8.003 -12.016 676 HB2 ASP 85 1HB ASP 85 15.377 9.311 -14.040 677 HB3 ASP 85 2HB ASP 85 14.659 10.684 -13.201 678 H SER 86 H SER 86 13.652 9.116 -10.157 679 HA SER 86 HA SER 86 11.769 11.305 -10.234 680 HB2 SER 86 1HB SER 86 10.977 8.549 -9.342 681 HB3 SER 86 2HB SER 86 10.235 9.967 -8.600 682 HG SER 86 HG SER 86 9.331 10.508 -10.501 683 HA PRO 87 HA PRO 87 13.746 12.404 -6.475 684 HB2 PRO 87 1HB PRO 87 11.749 13.683 -5.152 685 HB3 PRO 87 2HB PRO 87 12.567 14.375 -6.558 686 HG2 PRO 87 1HG PRO 87 9.934 12.959 -6.406 687 HG3 PRO 87 2HG PRO 87 10.365 14.425 -7.305 688 HD2 PRO 87 1HD PRO 87 10.195 11.992 -8.481 689 HD3 PRO 87 2HD PRO 87 11.340 13.236 -9.022 690 H PHE 88 H PHE 88 10.862 10.469 -6.370 691 HA PHE 88 HA PHE 88 11.256 9.800 -3.557 692 HB2 PHE 88 1HB PHE 88 9.077 9.307 -5.553 693 HB3 PHE 88 2HB PHE 88 9.186 8.291 -4.119 694 HD1 PHE 88 2HD PHE 88 8.808 11.782 -5.275 695 HD2 PHE 88 1HD PHE 88 8.432 9.053 -2.031 696 HE1 PHE 88 2HE PHE 88 7.613 13.496 -3.977 697 HE2 PHE 88 1HE PHE 88 7.235 10.762 -0.727 698 HZ PHE 88 HZ PHE 88 6.825 12.988 -1.700 699 H GLN 89 H GLN 89 13.337 9.017 -5.263 700 HA GLN 89 HA GLN 89 13.004 6.224 -5.912 701 HB2 GLN 89 1HB GLN 89 14.641 8.196 -6.867 702 HB3 GLN 89 2HB GLN 89 15.739 7.300 -5.826 703 HG2 GLN 89 1HG GLN 89 14.034 5.848 -7.798 704 HG3 GLN 89 2HG GLN 89 15.509 6.659 -8.324 705 HE21 GLN 89 1HE2 GLN 89 14.203 3.859 -7.035 706 HE22 GLN 89 2HE2 GLN 89 15.670 3.084 -6.556 707 H ASP 90 H ASP 90 13.965 8.059 -3.193 708 HA ASP 90 HA ASP 90 15.735 6.237 -1.962 709 HB2 ASP 90 1HB ASP 90 15.647 7.620 -0.107 710 HB3 ASP 90 2HB ASP 90 15.160 8.730 -1.386 711 H LYS 91 H LYS 91 12.242 6.492 -2.035 712 HA LYS 91 HA LYS 91 11.922 4.387 -0.055 713 HB2 LYS 91 1HB LYS 91 9.752 5.689 -1.697 714 HB3 LYS 91 2HB LYS 91 9.580 4.828 -0.173 715 HG2 LYS 91 1HG LYS 91 11.040 6.663 0.830 716 HG3 LYS 91 2HG LYS 91 10.729 7.554 -0.662 717 HD2 LYS 91 1HD LYS 91 8.640 8.070 -0.040 718 HD3 LYS 91 2HD LYS 91 8.314 6.432 0.531 719 HE2 LYS 91 1HE LYS 91 8.169 7.690 2.473 720 HE3 LYS 91 2HE LYS 91 9.822 7.082 2.527 721 HZ1 LYS 91 3HZ LYS 91 9.678 9.449 3.071 722 HZ2 LYS 91 1HZ LYS 91 9.030 9.769 1.542 723 HZ3 LYS 91 2HZ LYS 91 10.611 9.184 1.685 724 H LEU 92 H LEU 92 11.903 4.805 -3.500 725 HA LEU 92 HA LEU 92 10.456 2.525 -4.258 726 HB2 LEU 92 1HB LEU 92 12.361 4.372 -5.522 727 HB3 LEU 92 2HB LEU 92 12.289 2.767 -6.246 728 HG LEU 92 HG LEU 92 10.015 3.032 -6.838 729 HD11 LEU 92 1HD1 LEU 92 10.033 4.996 -4.685 730 HD12 LEU 92 2HD1 LEU 92 8.708 4.026 -5.327 731 HD13 LEU 92 3HD1 LEU 92 9.159 5.535 -6.119 732 HD21 LEU 92 3HD2 LEU 92 10.522 5.762 -7.551 733 HD22 LEU 92 1HD2 LEU 92 10.533 4.320 -8.568 734 HD23 LEU 92 2HD2 LEU 92 11.999 4.812 -7.721 735 H ASP 93 H ASP 93 13.563 2.856 -2.858 736 HA ASP 93 HA ASP 93 14.441 0.216 -3.735 737 HB2 ASP 93 1HB ASP 93 15.739 2.615 -2.760 738 HB3 ASP 93 2HB ASP 93 16.269 1.199 -1.857 739 H ARG 94 H ARG 94 12.754 1.644 -1.165 740 HA ARG 94 HA ARG 94 13.545 0.095 1.023 741 HB2 ARG 94 1HB ARG 94 10.880 1.341 0.344 742 HB3 ARG 94 2HB ARG 94 11.222 0.573 1.888 743 HG2 ARG 94 1HG ARG 94 12.860 2.845 0.801 744 HG3 ARG 94 2HG ARG 94 11.436 3.081 1.817 745 HD2 ARG 94 1HD ARG 94 12.780 2.876 3.578 746 HD3 ARG 94 2HD ARG 94 12.940 1.171 3.159 747 HE ARG 94 HE ARG 94 14.774 2.641 1.637 748 HH11 ARG 94 1HH1 ARG 94 14.185 1.729 4.945 749 HH12 ARG 94 2HH1 ARG 94 15.859 1.767 5.390 750 HH21 ARG 94 1HH2 ARG 94 16.981 2.695 2.211 751 HH22 ARG 94 2HH2 ARG 94 17.448 2.318 3.835 752 H LEU 95 H LEU 95 11.107 -0.518 -1.471 753 HA LEU 95 HA LEU 95 9.975 -2.831 -0.432 754 HB2 LEU 95 1HB LEU 95 10.503 -2.411 -3.359 755 HB3 LEU 95 2HB LEU 95 9.172 -3.288 -2.607 756 HG LEU 95 HG LEU 95 9.573 -0.299 -2.651 757 HD11 LEU 95 1HD1 LEU 95 7.069 -1.154 -3.663 758 HD12 LEU 95 2HD1 LEU 95 8.326 -2.108 -4.450 759 HD13 LEU 95 3HD1 LEU 95 8.384 -0.347 -4.518 760 HD21 LEU 95 3HD2 LEU 95 7.108 -0.578 -1.694 761 HD22 LEU 95 1HD2 LEU 95 8.523 -0.485 -0.644 762 HD23 LEU 95 2HD2 LEU 95 7.814 -2.053 -1.032 763 H ALA 96 H ALA 96 13.077 -2.331 -1.877 764 HA ALA 96 HA ALA 96 13.556 -5.238 -1.893 765 HB1 ALA 96 1HB ALA 96 15.634 -4.417 -3.281 766 HB2 ALA 96 2HB ALA 96 14.056 -4.626 -4.041 767 HB3 ALA 96 3HB ALA 96 14.604 -3.016 -3.574 768 H ASP 97 H ASP 97 13.762 -3.048 0.283 769 HA ASP 97 HA ASP 97 16.518 -3.691 1.109 770 HB2 ASP 97 1HB ASP 97 15.374 -1.169 0.767 771 HB3 ASP 97 2HB ASP 97 15.359 -1.427 2.509 772 H GLU 98 H GLU 98 16.380 -2.877 3.736 773 HA GLU 98 HA GLU 98 14.623 -4.938 4.859 774 HB2 GLU 98 1HB GLU 98 16.990 -3.519 6.095 775 HB3 GLU 98 2HB GLU 98 16.069 -4.815 6.846 776 HG2 GLU 98 1HG GLU 98 16.952 -6.428 5.476 777 HG3 GLU 98 2HG GLU 98 17.323 -5.284 4.188 778 H ILE 99 H ILE 99 13.907 -4.404 7.196 779 HA ILE 99 HA ILE 99 12.696 -1.722 7.147 780 HB ILE 99 HB ILE 99 11.255 -3.046 9.026 781 HG12 ILE 99 1HG1 ILE 99 10.698 -5.271 7.993 782 HG13 ILE 99 2HG1 ILE 99 12.096 -5.069 6.942 783 HG21 ILE 99 1HG2 ILE 99 10.093 -3.607 6.474 784 HG22 ILE 99 2HG2 ILE 99 9.653 -2.369 7.649 785 HG23 ILE 99 3HG2 ILE 99 10.881 -2.030 6.430 786 HD11 ILE 99 3HD1 ILE 99 13.508 -5.714 8.532 787 HD12 ILE 99 1HD1 ILE 99 12.732 -4.707 9.754 788 HD13 ILE 99 2HD1 ILE 99 12.081 -6.304 9.384 789 H ASN 100 H ASN 100 12.153 -0.875 9.392 790 HA ASN 100 HA ASN 100 14.498 -1.270 11.126 791 HB2 ASN 100 1HB ASN 100 12.665 1.129 10.911 792 HB3 ASN 100 2HB ASN 100 14.073 1.004 11.961 793 HD21 ASN 100 1HD2 ASN 100 15.871 -0.213 10.272 794 HD22 ASN 100 2HD2 ASN 100 16.255 0.863 8.976 795 HA PRO 101 HA PRO 101 11.090 -3.078 13.596 796 HB2 PRO 101 1HB PRO 101 12.694 -4.844 14.892 797 HB3 PRO 101 2HB PRO 101 12.008 -5.163 13.294 798 HG2 PRO 101 1HG PRO 101 14.749 -4.204 14.023 799 HG3 PRO 101 2HG PRO 101 14.271 -5.420 12.823 800 HD2 PRO 101 1HD PRO 101 14.918 -2.879 12.145 801 HD3 PRO 101 2HD PRO 101 13.716 -3.830 11.249 802 H GLY 102 H GLY 102 10.801 -1.206 14.850 803 HA2 GLY 102 1HA GLY 102 10.830 -0.780 17.282 804 HA3 GLY 102 2HA GLY 102 12.566 -1.046 17.216 805 H GLU 103 H GLU 103 11.627 0.584 14.471 806 HA GLU 103 HA GLU 103 12.159 3.201 15.717 807 HB2 GLU 103 1HB GLU 103 14.082 2.230 14.383 808 HB3 GLU 103 2HB GLU 103 13.068 2.393 12.956 809 HG2 GLU 103 1HG GLU 103 13.262 4.650 12.898 810 HG3 GLU 103 2HG GLU 103 13.417 4.795 14.648 811 H THR 104 H THR 104 11.438 5.054 14.339 812 HA THR 104 HA THR 104 8.831 4.410 13.143 813 HB THR 104 HB THR 104 9.841 7.028 14.271 814 HG1 THR 104 1HG THR 104 7.663 5.529 15.261 815 HG21 THR 104 3HG2 THR 104 7.524 6.346 12.599 816 HG22 THR 104 1HG2 THR 104 8.301 7.904 12.878 817 HG23 THR 104 2HG2 THR 104 7.139 7.275 14.047 818 H ILE 105 H ILE 105 8.880 4.301 10.998 819 HA ILE 105 HA ILE 105 10.086 6.493 9.500 820 HB ILE 105 HB ILE 105 11.308 5.090 7.989 821 HG12 ILE 105 1HG1 ILE 105 11.390 2.549 9.110 822 HG13 ILE 105 2HG1 ILE 105 9.689 2.993 9.203 823 HG21 ILE 105 1HG2 ILE 105 13.081 4.338 9.402 824 HG22 ILE 105 2HG2 ILE 105 12.377 5.777 10.138 825 HG23 ILE 105 3HG2 ILE 105 11.989 4.180 10.778 826 HD11 ILE 105 3HD1 ILE 105 11.149 2.049 6.978 827 HD12 ILE 105 1HD1 ILE 105 9.444 2.488 7.070 828 HD13 ILE 105 2HD1 ILE 105 10.646 3.703 6.632 829 H GLN 106 H GLN 106 9.753 5.660 6.964 830 HA GLN 106 HA GLN 106 7.128 4.487 6.622 831 HB2 GLN 106 1HB GLN 106 6.411 6.519 5.230 832 HB3 GLN 106 2HB GLN 106 6.336 6.664 6.981 833 HG2 GLN 106 1HG GLN 106 8.282 7.997 7.052 834 HG3 GLN 106 2HG GLN 106 8.682 7.626 5.376 835 HE21 GLN 106 1HE2 GLN 106 7.018 9.698 7.490 836 HE22 GLN 106 2HE2 GLN 106 6.272 10.704 6.300 837 H GLY 107 H GLY 107 6.547 4.950 4.087 838 HA2 GLY 107 1HA GLY 107 8.802 4.960 2.329 839 HA3 GLY 107 2HA GLY 107 8.204 3.330 2.603 840 H ALA 108 H ALA 108 7.941 3.604 0.182 841 HA ALA 108 HA ALA 108 5.185 4.465 -0.329 842 HB1 ALA 108 1HB ALA 108 6.926 6.193 -1.071 843 HB2 ALA 108 2HB ALA 108 7.336 5.037 -2.338 844 HB3 ALA 108 3HB ALA 108 5.704 5.697 -2.242 845 H TYR 109 H TYR 109 4.448 3.646 -2.540 846 HA TYR 109 HA TYR 109 5.771 1.203 -3.403 847 HB2 TYR 109 1HB TYR 109 3.999 0.822 -1.479 848 HB3 TYR 109 2HB TYR 109 2.852 0.971 -2.806 849 HD1 TYR 109 2HD TYR 109 4.387 -0.345 -4.988 850 HD2 TYR 109 1HD TYR 109 3.872 -1.444 -0.910 851 HE1 TYR 109 2HE TYR 109 4.763 -2.702 -5.581 852 HE2 TYR 109 1HE TYR 109 4.248 -3.804 -1.492 853 HH TYR 109 HH TYR 109 4.424 -5.276 -3.189 854 HA PRO 110 HA PRO 110 4.070 3.555 -6.942 855 HB2 PRO 110 1HB PRO 110 6.070 2.844 -8.634 856 HB3 PRO 110 2HB PRO 110 6.204 4.195 -7.502 857 HG2 PRO 110 1HG PRO 110 7.250 1.401 -7.250 858 HG3 PRO 110 2HG PRO 110 8.046 2.934 -6.849 859 HD2 PRO 110 1HD PRO 110 6.908 1.348 -4.972 860 HD3 PRO 110 2HD PRO 110 6.953 3.117 -4.828 861 H TYR 111 H TYR 111 2.306 2.373 -7.515 862 HA TYR 111 HA TYR 111 2.677 -0.334 -8.556 863 HB2 TYR 111 1HB TYR 111 0.154 1.205 -7.910 864 HB3 TYR 111 2HB TYR 111 0.203 -0.460 -8.479 865 HD1 TYR 111 1HD TYR 111 1.391 -2.184 -7.028 866 HD2 TYR 111 2HD TYR 111 0.354 1.697 -5.625 867 HE1 TYR 111 1HE TYR 111 1.595 -2.975 -4.708 868 HE2 TYR 111 2HE TYR 111 0.556 0.917 -3.301 869 HH TYR 111 HH TYR 111 1.259 -2.474 -2.556 870 H GLU 112 H GLU 112 1.471 -0.950 -10.528 871 HA GLU 112 HA GLU 112 2.175 0.708 -12.698 872 HB2 GLU 112 1HB GLU 112 0.861 -1.893 -12.324 873 HB3 GLU 112 2HB GLU 112 0.340 -1.025 -13.760 874 HG2 GLU 112 1HG GLU 112 2.671 -0.829 -14.481 875 HG3 GLU 112 2HG GLU 112 3.180 -1.726 -13.051 876 H PHE 113 H PHE 113 1.237 2.623 -13.023 877 HA PHE 113 HA PHE 113 -1.578 3.022 -12.446 878 HB2 PHE 113 1HB PHE 113 0.628 4.666 -12.317 879 HB3 PHE 113 2HB PHE 113 -0.168 5.210 -13.790 880 HD1 PHE 113 2HD PHE 113 -1.445 4.028 -10.490 881 HD2 PHE 113 1HD PHE 113 -1.329 7.144 -13.386 882 HE1 PHE 113 2HE PHE 113 -3.035 5.335 -9.142 883 HE2 PHE 113 1HE PHE 113 -2.918 8.457 -12.042 884 HZ PHE 113 HZ PHE 113 -3.774 7.552 -9.918 885 H ILE 114 H ILE 114 -0.163 1.539 -14.872 886 HA ILE 114 HA ILE 114 -0.730 2.668 -17.275 887 HB ILE 114 HB ILE 114 -1.304 -0.201 -16.524 888 HG12 ILE 114 1HG1 ILE 114 1.144 0.664 -17.991 889 HG13 ILE 114 2HG1 ILE 114 1.073 0.967 -16.259 890 HG21 ILE 114 1HG2 ILE 114 -0.889 1.083 -19.220 891 HG22 ILE 114 2HG2 ILE 114 -0.975 -0.653 -18.928 892 HG23 ILE 114 3HG2 ILE 114 -2.380 0.365 -18.612 893 HD11 ILE 114 3HD1 ILE 114 1.112 -1.631 -17.723 894 HD12 ILE 114 1HD1 ILE 114 2.114 -1.084 -16.379 895 HD13 ILE 114 2HD1 ILE 114 0.431 -1.532 -16.100 896 H ASN 115 H ASN 115 -3.040 1.264 -15.021 897 HA ASN 115 HA ASN 115 -5.245 1.843 -16.854 898 HB2 ASN 115 1HB ASN 115 -5.071 0.296 -14.270 899 HB3 ASN 115 2HB ASN 115 -6.611 0.698 -15.025 900 HD21 ASN 115 1HD2 ASN 115 -7.194 -0.293 -16.943 901 HD22 ASN 115 2HD2 ASN 115 -6.383 -1.697 -17.542 902 H GLU 116 H GLU 116 -4.079 4.139 -16.053 903 HA GLU 116 HA GLU 116 -4.954 5.298 -13.674 904 HB2 GLU 116 1HB GLU 116 -4.549 7.457 -14.764 905 HB3 GLU 116 2HB GLU 116 -3.247 6.321 -15.086 906 HG2 GLU 116 1HG GLU 116 -3.482 6.758 -17.238 907 HG3 GLU 116 2HG GLU 116 -5.060 5.975 -17.178 908 H ASN 117 H ASN 117 -6.591 4.852 -16.736 909 HA ASN 117 HA ASN 117 -8.752 6.616 -16.261 910 HB2 ASN 117 1HB ASN 117 -9.907 5.125 -18.010 911 HB3 ASN 117 2HB ASN 117 -8.447 5.975 -18.505 912 HD21 ASN 117 1HD2 ASN 117 -6.477 4.791 -18.627 913 HD22 ASN 117 2HD2 ASN 117 -6.500 3.084 -18.897 914 H LYS 118 H LYS 118 -8.008 3.447 -15.129 915 HA LYS 118 HA LYS 118 -10.749 2.923 -14.285 916 HB2 LYS 118 1HB LYS 118 -8.257 1.261 -13.872 917 HB3 LYS 118 2HB LYS 118 -9.911 0.749 -13.562 918 HG2 LYS 118 1HG LYS 118 -9.092 1.644 -16.294 919 HG3 LYS 118 2HG LYS 118 -8.739 0.006 -15.739 920 HD2 LYS 118 1HD LYS 118 -11.239 -0.077 -15.105 921 HD3 LYS 118 2HD LYS 118 -11.400 1.323 -16.167 922 HE2 LYS 118 1HE LYS 118 -10.125 -0.146 -17.880 923 HE3 LYS 118 2HE LYS 118 -10.606 -1.485 -16.840 924 HZ1 LYS 118 3HZ LYS 118 -12.942 -0.530 -17.077 925 HZ2 LYS 118 1HZ LYS 118 -12.292 -1.337 -18.414 926 HZ3 LYS 118 2HZ LYS 118 -12.327 0.354 -18.382 927 HA PRO 119 HA PRO 119 -10.281 4.376 -10.167 928 HB2 PRO 119 1HB PRO 119 -11.880 2.641 -8.823 929 HB3 PRO 119 2HB PRO 119 -12.513 3.909 -9.880 930 HG2 PRO 119 1HG PRO 119 -12.110 0.997 -10.445 931 HG3 PRO 119 2HG PRO 119 -13.483 2.038 -10.864 932 HD2 PRO 119 1HD PRO 119 -11.559 1.376 -12.650 933 HD3 PRO 119 2HD PRO 119 -12.406 2.935 -12.694 934 H VAL 120 H VAL 120 -9.168 4.007 -8.262 935 HA VAL 120 HA VAL 120 -7.585 1.531 -8.197 936 HB VAL 120 HB VAL 120 -7.021 4.095 -6.708 937 HG11 VAL 120 1HG1 VAL 120 -4.651 2.954 -6.910 938 HG12 VAL 120 2HG1 VAL 120 -5.770 2.522 -5.617 939 HG13 VAL 120 3HG1 VAL 120 -5.624 1.490 -7.040 940 HG21 VAL 120 3HG2 VAL 120 -6.457 4.980 -8.676 941 HG22 VAL 120 1HG2 VAL 120 -5.127 3.822 -8.713 942 HG23 VAL 120 2HG2 VAL 120 -6.654 3.437 -9.507 943 H HIS 121 H HIS 121 -9.099 0.218 -7.143 944 HA HIS 121 HA HIS 121 -10.389 0.954 -4.724 945 HB2 HIS 121 1HB HIS 121 -10.858 -0.992 -6.476 946 HB3 HIS 121 2HB HIS 121 -9.872 -1.916 -5.347 947 HD1 HIS 121 1HD HIS 121 -11.268 0.055 -2.988 948 HD2 HIS 121 2HD HIS 121 -12.993 -2.715 -5.560 949 HE1 HIS 121 1HE HIS 121 -13.427 -0.626 -1.893 950 H PHE 122 H PHE 122 -8.718 1.776 -3.397 951 HA PHE 122 HA PHE 122 -6.424 0.287 -2.673 952 HB2 PHE 122 1HB PHE 122 -7.830 2.628 -1.394 953 HB3 PHE 122 2HB PHE 122 -6.370 1.921 -0.711 954 HD1 PHE 122 1HD PHE 122 -4.367 1.681 -2.393 955 HD2 PHE 122 2HD PHE 122 -7.629 4.373 -2.875 956 HE1 PHE 122 1HE PHE 122 -2.993 3.073 -3.886 957 HE2 PHE 122 2HE PHE 122 -6.261 5.768 -4.369 958 HZ PHE 122 HZ PHE 122 -3.940 5.119 -4.877 959 H LYS 123 H LYS 123 -6.601 -1.663 -1.765 960 HA LYS 123 HA LYS 123 -8.693 -2.183 0.199 961 HB2 LYS 123 1HB LYS 123 -7.167 -3.768 -1.674 962 HB3 LYS 123 2HB LYS 123 -7.073 -4.459 -0.060 963 HG2 LYS 123 1HG LYS 123 -9.461 -4.613 0.079 964 HG3 LYS 123 2HG LYS 123 -9.647 -3.744 -1.447 965 HD2 LYS 123 1HD LYS 123 -7.937 -6.121 -1.607 966 HD3 LYS 123 2HD LYS 123 -9.617 -6.460 -1.183 967 HE2 LYS 123 1HE LYS 123 -9.484 -4.525 -3.308 968 HE3 LYS 123 2HE LYS 123 -8.557 -5.963 -3.731 969 HZ1 LYS 123 3HZ LYS 123 -11.124 -5.805 -4.183 970 HZ2 LYS 123 1HZ LYS 123 -11.220 -6.341 -2.581 971 HZ3 LYS 123 2HZ LYS 123 -10.402 -7.267 -3.736 972 H PHE 124 H PHE 124 -8.200 -3.172 2.255 973 HA PHE 124 HA PHE 124 -5.480 -2.955 3.241 974 HB2 PHE 124 1HB PHE 124 -7.717 -1.352 4.500 975 HB3 PHE 124 2HB PHE 124 -6.068 -1.478 5.104 976 HD1 PHE 124 1HD PHE 124 -4.205 -0.472 3.812 977 HD2 PHE 124 2HD PHE 124 -8.284 0.149 2.765 978 HE1 PHE 124 1HE PHE 124 -3.555 1.467 2.445 979 HE2 PHE 124 2HE PHE 124 -7.640 2.089 1.395 980 HZ PHE 124 HZ PHE 124 -5.273 2.750 1.233 981 H ARG 125 H ARG 125 -5.443 -5.091 3.771 982 HA ARG 125 HA ARG 125 -6.713 -5.876 6.197 983 HB2 ARG 125 1HB ARG 125 -8.634 -6.237 4.778 984 HB3 ARG 125 2HB ARG 125 -7.663 -7.140 3.623 985 HG2 ARG 125 1HG ARG 125 -8.926 -8.708 4.874 986 HG3 ARG 125 2HG ARG 125 -7.252 -8.831 5.418 987 HD2 ARG 125 1HD ARG 125 -8.359 -6.906 7.073 988 HD3 ARG 125 2HD ARG 125 -9.641 -8.103 6.896 989 HE ARG 125 HE ARG 125 -7.142 -8.427 8.284 990 HH11 ARG 125 1HH1 ARG 125 -9.772 -10.055 6.686 991 HH12 ARG 125 2HH1 ARG 125 -9.531 -11.549 7.529 992 HH21 ARG 125 1HH2 ARG 125 -6.814 -10.390 9.399 993 HH22 ARG 125 2HH2 ARG 125 -7.849 -11.739 9.072 994 H ASP 126 H ASP 126 -5.793 -7.721 7.089 995 HA ASP 126 HA ASP 126 -3.219 -8.427 6.051 996 HB2 ASP 126 1HB ASP 126 -4.793 -9.454 8.419 997 HB3 ASP 126 2HB ASP 126 -3.150 -9.963 8.037 998 H ARG 127 H ARG 127 -2.773 -11.004 6.417 999 HA ARG 127 HA ARG 127 -4.788 -12.459 4.848 1000 HB2 ARG 127 1HB ARG 127 -1.835 -12.237 4.304 1001 HB3 ARG 127 2HB ARG 127 -2.786 -13.588 3.701 1002 HG2 ARG 127 1HG ARG 127 -4.236 -12.017 2.500 1003 HG3 ARG 127 2HG ARG 127 -3.246 -10.677 3.082 1004 HD2 ARG 127 1HD ARG 127 -2.453 -12.900 1.216 1005 HD3 ARG 127 2HD ARG 127 -2.511 -11.170 0.880 1006 HE ARG 127 HE ARG 127 -0.709 -11.416 2.918 1007 HH11 ARG 127 1HH1 ARG 127 -1.033 -12.777 -0.270 1008 HH12 ARG 127 2HH1 ARG 127 0.675 -12.941 -0.516 1009 HH21 ARG 127 1HH2 ARG 127 1.541 -11.628 2.607 1010 HH22 ARG 127 2HH2 ARG 127 2.137 -12.288 1.122 1011 H LEU 128 H LEU 128 -5.444 -14.151 5.983 1012 HA LEU 128 HA LEU 128 -3.721 -16.137 6.975 1013 HB2 LEU 128 1HB LEU 128 -3.644 -14.062 8.654 1014 HB3 LEU 128 2HB LEU 128 -5.080 -14.868 9.282 1015 HG LEU 128 HG LEU 128 -3.573 -16.966 9.390 1016 HD11 LEU 128 1HD1 LEU 128 -1.535 -16.659 8.536 1017 HD12 LEU 128 2HD1 LEU 128 -1.185 -15.772 10.019 1018 HD13 LEU 128 3HD1 LEU 128 -1.687 -14.903 8.569 1019 HD21 LEU 128 3HD2 LEU 128 -3.351 -14.589 11.219 1020 HD22 LEU 128 1HD2 LEU 128 -2.638 -16.157 11.598 1021 HD23 LEU 128 2HD2 LEU 128 -4.383 -16.010 11.390 1022 H LEU 129 H LEU 129 -6.824 -14.608 7.847 1023 HA LEU 129 HA LEU 129 -8.265 -16.945 6.941 1024 HB2 LEU 129 1HB LEU 129 -8.016 -16.207 9.826 1025 HB3 LEU 129 2HB LEU 129 -9.504 -16.941 9.232 1026 HG LEU 129 HG LEU 129 -7.500 -18.610 8.282 1027 HD11 LEU 129 1HD1 LEU 129 -6.240 -19.173 10.343 1028 HD12 LEU 129 2HD1 LEU 129 -6.875 -17.707 11.088 1029 HD13 LEU 129 3HD1 LEU 129 -5.829 -17.594 9.673 1030 HD21 LEU 129 3HD2 LEU 129 -9.714 -19.237 9.157 1031 HD22 LEU 129 1HD2 LEU 129 -9.148 -18.898 10.792 1032 HD23 LEU 129 2HD2 LEU 129 -8.417 -20.204 9.859 1033 H SER 130 H SER 130 -8.872 -15.126 5.506 1034 HA SER 130 HA SER 130 -10.930 -13.405 6.722 1035 HB2 SER 130 1HB SER 130 -9.908 -12.797 3.998 1036 HB3 SER 130 2HB SER 130 -10.353 -11.702 5.306 1037 HG SER 130 HG SER 130 -7.921 -12.856 4.714 1038 H LEU 131 H LEU 131 -10.227 -14.815 3.519 1039 HA LEU 131 HA LEU 131 -11.530 -16.003 2.073 1040 HB2 LEU 131 1HB LEU 131 -13.728 -16.126 4.100 1041 HB3 LEU 131 2HB LEU 131 -13.304 -17.292 2.848 1042 HG LEU 131 HG LEU 131 -11.920 -16.820 5.479 1043 HD11 LEU 131 1HD1 LEU 131 -13.164 -19.290 4.282 1044 HD12 LEU 131 2HD1 LEU 131 -13.935 -18.244 5.474 1045 HD13 LEU 131 3HD1 LEU 131 -12.469 -19.130 5.895 1046 HD21 LEU 131 3HD2 LEU 131 -10.545 -18.859 4.523 1047 HD22 LEU 131 1HD2 LEU 131 -10.061 -17.193 4.205 1048 HD23 LEU 131 2HD2 LEU 131 -10.945 -18.104 2.980 1049 H ASP 132 H ASP 132 -13.925 -14.207 4.012 1050 HA ASP 132 HA ASP 132 -15.290 -13.294 1.667 1051 HB2 ASP 132 1HB ASP 132 -15.836 -13.445 4.451 1052 HB3 ASP 132 2HB ASP 132 -16.025 -11.762 3.968 1053 H GLU 133 H GLU 133 -15.955 -10.720 2.055 1054 HA GLU 133 HA GLU 133 -13.895 -9.274 0.923 1055 HB2 GLU 133 1HB GLU 133 -16.213 -8.282 2.589 1056 HB3 GLU 133 2HB GLU 133 -15.170 -7.241 1.631 1057 HG2 GLU 133 1HG GLU 133 -16.981 -9.415 0.610 1058 HG3 GLU 133 2HG GLU 133 -17.199 -7.675 0.427 1059 HA PRO 134 HA PRO 134 -11.075 -8.194 4.107 1060 HB2 PRO 134 1HB PRO 134 -10.305 -5.712 3.318 1061 HB3 PRO 134 2HB PRO 134 -9.806 -7.185 2.478 1062 HG2 PRO 134 1HG PRO 134 -11.989 -5.258 1.786 1063 HG3 PRO 134 2HG PRO 134 -10.803 -6.035 0.721 1064 HD2 PRO 134 1HD PRO 134 -13.354 -6.916 0.949 1065 HD3 PRO 134 2HD PRO 134 -11.991 -8.008 0.629 1066 H ILE 135 H ILE 135 -10.517 -6.327 5.644 1067 HA ILE 135 HA ILE 135 -12.919 -5.597 7.036 1068 HB ILE 135 HB ILE 135 -10.856 -6.255 8.233 1069 HG12 ILE 135 1HG1 ILE 135 -11.617 -3.406 8.887 1070 HG13 ILE 135 2HG1 ILE 135 -12.660 -4.781 9.231 1071 HG21 ILE 135 1HG2 ILE 135 -9.709 -3.557 7.652 1072 HG22 ILE 135 2HG2 ILE 135 -8.905 -5.014 8.233 1073 HG23 ILE 135 3HG2 ILE 135 -9.418 -4.902 6.550 1074 HD11 ILE 135 3HD1 ILE 135 -11.113 -5.677 10.779 1075 HD12 ILE 135 1HD1 ILE 135 -9.855 -4.547 10.277 1076 HD13 ILE 135 2HD1 ILE 135 -11.274 -3.960 11.146 1077 H ALA 136 H ALA 136 -10.602 -3.984 4.975 1078 HA ALA 136 HA ALA 136 -12.300 -1.587 5.037 1079 HB1 ALA 136 1HB ALA 136 -10.595 -0.735 6.304 1080 HB2 ALA 136 2HB ALA 136 -9.372 -1.754 5.544 1081 HB3 ALA 136 3HB ALA 136 -10.006 -0.349 4.687 1082 H SER 137 H SER 137 -12.439 -0.443 3.104 1083 HA SER 137 HA SER 137 -10.856 -0.899 0.828 1084 HB2 SER 137 1HB SER 137 -12.566 -2.134 -0.550 1085 HB3 SER 137 2HB SER 137 -11.810 -3.101 0.716 1086 HG SER 137 HG SER 137 -13.707 -3.384 1.549 1087 H GLU 138 H GLU 138 -11.342 0.524 -0.812 1088 HA GLU 138 HA GLU 138 -13.844 1.784 -1.162 1089 HB2 GLU 138 1HB GLU 138 -13.412 2.940 0.888 1090 HB3 GLU 138 2HB GLU 138 -11.764 3.312 0.400 1091 HG2 GLU 138 1HG GLU 138 -12.538 4.839 -1.274 1092 HG3 GLU 138 2HG GLU 138 -14.213 4.372 -0.986 1093 H GLU 139 H GLU 139 -13.928 2.726 -3.125 1094 HA GLU 139 HA GLU 139 -11.570 2.605 -4.778 1095 HB2 GLU 139 1HB GLU 139 -14.474 3.104 -5.224 1096 HB3 GLU 139 2HB GLU 139 -13.343 3.687 -6.437 1097 HG2 GLU 139 1HG GLU 139 -12.401 1.249 -6.282 1098 HG3 GLU 139 2HG GLU 139 -14.008 0.898 -5.648 1099 H ILE 140 H ILE 140 -10.499 4.302 -5.749 1100 HA ILE 140 HA ILE 140 -11.330 7.032 -5.162 1101 HB ILE 140 HB ILE 140 -8.596 6.020 -4.372 1102 HG12 ILE 140 1HG1 ILE 140 -10.909 6.958 -2.662 1103 HG13 ILE 140 2HG1 ILE 140 -10.348 5.296 -2.808 1104 HG21 ILE 140 1HG2 ILE 140 -8.590 8.311 -5.243 1105 HG22 ILE 140 2HG2 ILE 140 -9.831 8.754 -4.071 1106 HG23 ILE 140 3HG2 ILE 140 -8.228 8.268 -3.518 1107 HD11 ILE 140 3HD1 ILE 140 -9.284 5.850 -0.897 1108 HD12 ILE 140 1HD1 ILE 140 -8.068 6.426 -2.037 1109 HD13 ILE 140 2HD1 ILE 140 -9.201 7.563 -1.306 1110 H THR 141 H THR 141 -10.785 8.442 -6.736 1111 HA THR 141 HA THR 141 -9.254 7.371 -9.001 1112 HB THR 141 HB THR 141 -10.829 9.915 -9.154 1113 HG1 THR 141 1HG THR 141 -12.399 8.595 -8.374 1114 HG21 THR 141 3HG2 THR 141 -11.238 8.950 -11.475 1115 HG22 THR 141 1HG2 THR 141 -10.025 7.735 -11.070 1116 HG23 THR 141 2HG2 THR 141 -9.585 9.443 -11.107 1117 H ILE 142 H ILE 142 -7.148 7.838 -8.682 1118 HA ILE 142 HA ILE 142 -6.412 10.541 -7.816 1119 HB ILE 142 HB ILE 142 -4.556 8.191 -8.162 1120 HG12 ILE 142 1HG1 ILE 142 -6.018 9.095 -5.671 1121 HG13 ILE 142 2HG1 ILE 142 -6.306 7.598 -6.551 1122 HG21 ILE 142 1HG2 ILE 142 -3.848 10.089 -6.128 1123 HG22 ILE 142 2HG2 ILE 142 -2.946 9.594 -7.559 1124 HG23 ILE 142 3HG2 ILE 142 -4.113 10.911 -7.665 1125 HD11 ILE 142 3HD1 ILE 142 -4.118 6.786 -5.970 1126 HD12 ILE 142 1HD1 ILE 142 -3.717 8.321 -5.201 1127 HD13 ILE 142 2HD1 ILE 142 -4.969 7.289 -4.510 1128 H THR 143 H THR 143 -5.740 11.990 -9.244 1129 HA THR 143 HA THR 143 -4.080 11.311 -11.473 1130 HB THR 143 HB THR 143 -6.067 10.668 -12.592 1131 HG1 THR 143 1HG THR 143 -5.748 13.388 -13.353 1132 HG21 THR 143 3HG2 THR 143 -8.037 11.357 -11.806 1133 HG22 THR 143 1HG2 THR 143 -7.757 12.902 -12.608 1134 HG23 THR 143 2HG2 THR 143 -7.280 12.682 -10.924 Start of MODEL 10 1 H1 MET 1 H MET 1 -17.715 -12.792 20.247 2 HA MET 1 HA MET 1 -17.194 -10.829 18.323 3 HB2 MET 1 1HB MET 1 -18.598 -12.335 16.907 4 HB3 MET 1 2HB MET 1 -19.934 -12.068 18.020 5 HG2 MET 1 1HG MET 1 -20.289 -9.932 17.308 6 HG3 MET 1 2HG MET 1 -18.610 -9.695 16.829 7 HE1 MET 1 3HE MET 1 -21.210 -9.028 14.144 8 HE2 MET 1 1HE MET 1 -22.191 -10.397 14.668 9 HE3 MET 1 2HE MET 1 -21.572 -9.250 15.856 10 H ASP 2 H ASP 2 -17.154 -9.222 19.758 11 HA ASP 2 HA ASP 2 -19.354 -8.992 21.693 12 HB2 ASP 2 1HB ASP 2 -16.784 -7.426 21.789 13 HB3 ASP 2 2HB ASP 2 -17.909 -7.769 23.100 14 H GLU 3 H GLU 3 -19.589 -8.215 18.899 15 HA GLU 3 HA GLU 3 -20.454 -6.525 17.646 16 HB2 GLU 3 1HB GLU 3 -21.924 -6.363 19.710 17 HB3 GLU 3 2HB GLU 3 -20.888 -5.044 20.237 18 HG2 GLU 3 1HG GLU 3 -22.506 -3.840 19.211 19 HG3 GLU 3 2HG GLU 3 -21.451 -4.119 17.826 20 H VAL 4 H VAL 4 -17.781 -6.518 17.650 21 HA VAL 4 HA VAL 4 -17.127 -3.651 17.673 22 HB VAL 4 HB VAL 4 -15.166 -5.800 18.475 23 HG11 VAL 4 1HG1 VAL 4 -13.912 -3.785 19.332 24 HG12 VAL 4 2HG1 VAL 4 -14.030 -3.924 17.577 25 HG13 VAL 4 3HG1 VAL 4 -15.068 -2.792 18.445 26 HG21 VAL 4 3HG2 VAL 4 -16.876 -5.683 20.175 27 HG22 VAL 4 1HG2 VAL 4 -15.409 -4.906 20.771 28 HG23 VAL 4 2HG2 VAL 4 -16.764 -3.923 20.216 29 H LEU 5 H LEU 5 -15.622 -2.975 16.101 30 HA LEU 5 HA LEU 5 -15.642 -4.602 13.711 31 HB2 LEU 5 1HB LEU 5 -14.356 -1.911 14.123 32 HB3 LEU 5 2HB LEU 5 -14.772 -2.673 12.589 33 HG LEU 5 HG LEU 5 -17.165 -2.457 14.071 34 HD11 LEU 5 1HD1 LEU 5 -15.452 0.010 14.178 35 HD12 LEU 5 2HD1 LEU 5 -16.288 -0.800 15.502 36 HD13 LEU 5 3HD1 LEU 5 -17.212 0.063 14.273 37 HD21 LEU 5 3HD2 LEU 5 -16.400 -0.576 11.880 38 HD22 LEU 5 1HD2 LEU 5 -17.934 -1.394 12.174 39 HD23 LEU 5 2HD2 LEU 5 -16.559 -2.300 11.545 40 H ALA 6 H ALA 6 -13.999 -5.759 12.912 41 HA ALA 6 HA ALA 6 -11.962 -6.754 12.705 42 HB1 ALA 6 1HB ALA 6 -11.296 -4.371 12.272 43 HB2 ALA 6 2HB ALA 6 -10.805 -4.276 13.964 44 HB3 ALA 6 3HB ALA 6 -10.008 -5.414 12.877 45 H THR 7 H THR 7 -13.558 -6.817 15.280 46 HA THR 7 HA THR 7 -13.406 -7.716 17.367 47 HB THR 7 HB THR 7 -10.785 -8.989 16.942 48 HG1 THR 7 1HG THR 7 -11.263 -9.313 14.872 49 HG21 THR 7 3HG2 THR 7 -12.356 -11.017 17.369 50 HG22 THR 7 1HG2 THR 7 -13.540 -9.787 17.806 51 HG23 THR 7 2HG2 THR 7 -12.017 -9.897 18.688 52 H SER 8 H SER 8 -12.391 -5.107 17.124 53 HA SER 8 HA SER 8 -11.130 -3.552 18.210 54 HB2 SER 8 1HB SER 8 -12.257 -4.748 20.141 55 HB3 SER 8 2HB SER 8 -10.762 -5.663 20.342 56 HG SER 8 HG SER 8 -10.910 -3.755 21.670 57 H ILE 9 H ILE 9 -9.789 -5.420 16.390 58 HA ILE 9 HA ILE 9 -7.131 -5.690 17.577 59 HB ILE 9 HB ILE 9 -8.170 -6.631 14.902 60 HG12 ILE 9 1HG1 ILE 9 -9.158 -7.839 16.790 61 HG13 ILE 9 2HG1 ILE 9 -8.043 -8.875 15.906 62 HG21 ILE 9 1HG2 ILE 9 -6.046 -6.877 14.307 63 HG22 ILE 9 2HG2 ILE 9 -5.500 -6.303 15.882 64 HG23 ILE 9 3HG2 ILE 9 -5.838 -8.016 15.636 65 HD11 ILE 9 3HD1 ILE 9 -8.063 -8.228 18.663 66 HD12 ILE 9 1HD1 ILE 9 -6.971 -9.300 17.787 67 HD13 ILE 9 2HD1 ILE 9 -6.580 -7.589 17.955 68 H GLY 10 H GLY 10 -8.161 -4.785 14.290 69 HA2 GLY 10 1HA GLY 10 -6.296 -2.497 14.462 70 HA3 GLY 10 2HA GLY 10 -6.471 -3.478 13.014 71 H THR 11 H THR 11 -6.754 -0.992 12.445 72 HA THR 11 HA THR 11 -9.529 -0.706 11.754 73 HB THR 11 HB THR 11 -9.391 1.769 12.723 74 HG1 THR 11 1HG THR 11 -7.289 1.317 13.677 75 HG21 THR 11 3HG2 THR 11 -10.868 1.109 14.420 76 HG22 THR 11 1HG2 THR 11 -10.072 -0.450 14.632 77 HG23 THR 11 2HG2 THR 11 -11.043 -0.143 13.191 78 H TYR 12 H TYR 12 -9.755 0.397 9.887 79 HA TYR 12 HA TYR 12 -7.399 1.862 8.890 80 HB2 TYR 12 1HB TYR 12 -9.414 0.396 7.183 81 HB3 TYR 12 2HB TYR 12 -7.883 1.098 6.669 82 HD1 TYR 12 2HD TYR 12 -6.261 0.075 9.070 83 HD2 TYR 12 1HD TYR 12 -9.001 -1.829 6.429 84 HE1 TYR 12 2HE TYR 12 -5.139 -2.078 9.466 85 HE2 TYR 12 1HE TYR 12 -7.887 -3.987 6.819 86 HH TYR 12 HH TYR 12 -5.258 -4.578 7.638 87 H GLU 13 H GLU 13 -8.116 3.881 9.566 88 HA GLU 13 HA GLU 13 -9.783 5.283 7.781 89 HB2 GLU 13 1HB GLU 13 -11.684 5.799 9.169 90 HB3 GLU 13 2HB GLU 13 -11.549 4.053 9.023 91 HG2 GLU 13 1HG GLU 13 -10.642 3.869 11.223 92 HG3 GLU 13 2HG GLU 13 -10.514 5.620 11.371 93 H ASN 14 H ASN 14 -10.389 7.530 8.827 94 HA ASN 14 HA ASN 14 -9.616 9.504 9.649 95 HB2 ASN 14 1HB ASN 14 -8.098 7.881 11.693 96 HB3 ASN 14 2HB ASN 14 -8.687 9.533 11.849 97 HD21 ASN 14 1HD2 ASN 14 -9.165 7.098 13.459 98 HD22 ASN 14 2HD2 ASN 14 -10.884 6.931 13.530 99 H ARG 15 H ARG 15 -8.194 8.365 7.516 100 HA ARG 15 HA ARG 15 -6.228 8.487 6.370 101 HB2 ARG 15 1HB ARG 15 -6.738 10.918 6.989 102 HB3 ARG 15 2HB ARG 15 -5.508 10.742 8.234 103 HG2 ARG 15 1HG ARG 15 -4.591 11.788 6.248 104 HG3 ARG 15 2HG ARG 15 -3.848 10.211 6.524 105 HD2 ARG 15 1HD ARG 15 -4.444 10.674 4.143 106 HD3 ARG 15 2HD ARG 15 -5.165 9.208 4.806 107 HE ARG 15 HE ARG 15 -6.890 11.470 5.053 108 HH11 ARG 15 1HH1 ARG 15 -5.760 9.020 2.852 109 HH12 ARG 15 2HH1 ARG 15 -7.185 9.063 1.867 110 HH21 ARG 15 1HH2 ARG 15 -8.771 11.536 3.764 111 HH22 ARG 15 2HH2 ARG 15 -8.897 10.495 2.387 112 H THR 16 H THR 16 -6.207 6.597 8.425 113 HA THR 16 HA THR 16 -3.379 6.274 8.793 114 HB THR 16 HB THR 16 -5.117 6.649 11.240 115 HG1 THR 16 1HG THR 16 -3.571 8.340 11.641 116 HG21 THR 16 3HG2 THR 16 -2.590 6.419 12.178 117 HG22 THR 16 1HG2 THR 16 -2.531 5.294 10.822 118 HG23 THR 16 2HG2 THR 16 -3.732 5.078 12.095 119 H LEU 17 H LEU 17 -2.802 4.156 9.202 120 HA LEU 17 HA LEU 17 -5.033 2.234 9.312 121 HB2 LEU 17 1HB LEU 17 -2.805 2.478 7.514 122 HB3 LEU 17 2HB LEU 17 -2.743 0.928 8.351 123 HG LEU 17 HG LEU 17 -5.391 1.195 7.499 124 HD11 LEU 17 1HD1 LEU 17 -4.058 2.984 5.984 125 HD12 LEU 17 2HD1 LEU 17 -5.467 2.079 5.433 126 HD13 LEU 17 3HD1 LEU 17 -3.845 1.524 5.018 127 HD21 LEU 17 3HD2 LEU 17 -3.975 -0.845 7.645 128 HD22 LEU 17 1HD2 LEU 17 -3.158 -0.332 6.168 129 HD23 LEU 17 2HD2 LEU 17 -4.880 -0.712 6.136 130 H LEU 18 H LEU 18 -4.909 0.514 10.708 131 HA LEU 18 HA LEU 18 -2.521 0.291 12.397 132 HB2 LEU 18 1HB LEU 18 -3.936 1.599 13.744 133 HB3 LEU 18 2HB LEU 18 -5.359 0.659 13.300 134 HG LEU 18 HG LEU 18 -4.373 -1.262 14.580 135 HD11 LEU 18 1HD1 LEU 18 -2.143 -0.963 14.883 136 HD12 LEU 18 2HD1 LEU 18 -2.715 -0.255 16.392 137 HD13 LEU 18 3HD1 LEU 18 -2.282 0.788 15.038 138 HD21 LEU 18 3HD2 LEU 18 -6.019 -0.358 15.837 139 HD22 LEU 18 1HD2 LEU 18 -5.375 1.278 15.703 140 HD23 LEU 18 2HD2 LEU 18 -4.663 0.142 16.850 141 H VAL 19 H VAL 19 -1.944 -1.755 12.894 142 HA VAL 19 HA VAL 19 -3.848 -3.933 12.651 143 HB VAL 19 HB VAL 19 -2.147 -5.204 11.195 144 HG11 VAL 19 1HG1 VAL 19 -4.459 -3.968 10.619 145 HG12 VAL 19 2HG1 VAL 19 -3.376 -3.098 9.531 146 HG13 VAL 19 3HG1 VAL 19 -3.510 -4.854 9.426 147 HG21 VAL 19 3HG2 VAL 19 -0.433 -4.132 10.229 148 HG22 VAL 19 1HG2 VAL 19 -1.410 -2.709 9.867 149 HG23 VAL 19 2HG2 VAL 19 -0.689 -2.900 11.465 150 HA PRO 20 HA PRO 20 -1.443 -5.699 15.871 151 HB2 PRO 20 1HB PRO 20 -1.794 -8.351 15.409 152 HB3 PRO 20 2HB PRO 20 -3.072 -7.309 16.047 153 HG2 PRO 20 1HG PRO 20 -2.623 -8.256 13.242 154 HG3 PRO 20 2HG PRO 20 -4.138 -8.148 14.158 155 HD2 PRO 20 1HD PRO 20 -3.409 -6.294 12.325 156 HD3 PRO 20 2HD PRO 20 -4.360 -5.888 13.768 157 H ASP 21 H ASP 21 -0.592 -6.075 12.617 158 HA ASP 21 HA ASP 21 1.844 -7.579 13.229 159 HB2 ASP 21 1HB ASP 21 0.345 -6.944 10.723 160 HB3 ASP 21 2HB ASP 21 2.072 -7.275 10.614 161 H GLY 22 H GLY 22 0.775 -4.470 11.917 162 HA2 GLY 22 1HA GLY 22 3.356 -3.328 12.685 163 HA3 GLY 22 2HA GLY 22 2.882 -3.182 10.999 164 H ARG 23 H ARG 23 2.732 -0.957 11.000 165 HA ARG 23 HA ARG 23 0.258 0.123 11.936 166 HB2 ARG 23 1HB ARG 23 2.026 0.150 13.908 167 HB3 ARG 23 2HB ARG 23 2.607 1.578 13.063 168 HG2 ARG 23 1HG ARG 23 -0.205 1.798 13.262 169 HG3 ARG 23 2HG ARG 23 0.412 1.330 14.848 170 HD2 ARG 23 1HD ARG 23 0.361 3.738 14.677 171 HD3 ARG 23 2HD ARG 23 2.034 3.185 14.729 172 HE ARG 23 HE ARG 23 1.087 3.497 12.055 173 HH11 ARG 23 1HH1 ARG 23 2.327 5.222 14.813 174 HH12 ARG 23 2HH1 ARG 23 2.966 6.529 13.872 175 HH21 ARG 23 1HH2 ARG 23 1.924 5.211 10.806 176 HH22 ARG 23 2HH2 ARG 23 2.736 6.522 11.593 177 H LEU 24 H LEU 24 -0.165 0.855 9.911 178 HA LEU 24 HA LEU 24 1.823 2.481 8.526 179 HB2 LEU 24 1HB LEU 24 0.243 0.612 7.538 180 HB3 LEU 24 2HB LEU 24 -0.889 1.958 7.416 181 HG LEU 24 HG LEU 24 1.518 2.865 6.288 182 HD11 LEU 24 1HD1 LEU 24 0.770 0.174 5.162 183 HD12 LEU 24 2HD1 LEU 24 2.170 0.463 6.194 184 HD13 LEU 24 3HD1 LEU 24 2.061 1.245 4.618 185 HD21 LEU 24 3HD2 LEU 24 -0.762 3.489 5.636 186 HD22 LEU 24 1HD2 LEU 24 -1.002 1.880 4.956 187 HD23 LEU 24 2HD2 LEU 24 0.195 2.965 4.250 188 H ALA 25 H ALA 25 0.810 4.411 7.277 189 HA ALA 25 HA ALA 25 -1.380 5.803 8.381 190 HB1 ALA 25 1HB ALA 25 0.111 5.996 10.323 191 HB2 ALA 25 2HB ALA 25 1.312 6.796 9.309 192 HB3 ALA 25 3HB ALA 25 -0.247 7.565 9.603 193 H LEU 26 H LEU 26 -2.057 7.118 6.823 194 HA LEU 26 HA LEU 26 -0.493 7.611 4.503 195 HB2 LEU 26 1HB LEU 26 -3.135 8.714 5.432 196 HB3 LEU 26 2HB LEU 26 -2.418 9.097 3.868 197 HG LEU 26 HG LEU 26 -4.031 7.429 3.459 198 HD11 LEU 26 1HD1 LEU 26 -1.629 5.684 3.648 199 HD12 LEU 26 2HD1 LEU 26 -1.560 7.118 2.626 200 HD13 LEU 26 3HD1 LEU 26 -2.782 5.882 2.329 201 HD21 LEU 26 3HD2 LEU 26 -2.801 5.674 5.570 202 HD22 LEU 26 1HD2 LEU 26 -4.319 5.440 4.704 203 HD23 LEU 26 2HD2 LEU 26 -4.170 6.740 5.887 204 H THR 27 H THR 27 1.159 8.981 4.472 205 HA THR 27 HA THR 27 1.234 11.280 6.235 206 HB THR 27 HB THR 27 3.465 11.645 4.886 207 HG1 THR 27 1HG THR 27 3.214 8.848 4.552 208 HG21 THR 27 3HG2 THR 27 4.584 9.968 6.392 209 HG22 THR 27 1HG2 THR 27 2.975 9.437 6.882 210 HG23 THR 27 2HG2 THR 27 3.496 11.090 7.208 211 H ALA 28 H ALA 28 1.573 10.781 2.716 212 HA ALA 28 HA ALA 28 -0.186 12.823 1.972 213 HB1 ALA 28 1HB ALA 28 2.040 13.961 3.027 214 HB2 ALA 28 2HB ALA 28 2.467 13.892 1.317 215 HB3 ALA 28 3HB ALA 28 0.999 14.725 1.826 216 H LEU 29 H LEU 29 -0.772 11.310 0.431 217 HA LEU 29 HA LEU 29 0.895 9.895 -1.272 218 HB2 LEU 29 1HB LEU 29 -1.869 10.965 -1.822 219 HB3 LEU 29 2HB LEU 29 -1.055 9.723 -2.771 220 HG LEU 29 HG LEU 29 -1.926 9.479 0.108 221 HD11 LEU 29 1HD1 LEU 29 -3.053 7.542 -1.646 222 HD12 LEU 29 2HD1 LEU 29 -3.346 9.148 -2.313 223 HD13 LEU 29 3HD1 LEU 29 -3.871 8.765 -0.673 224 HD21 LEU 29 3HD2 LEU 29 -1.206 7.173 -0.048 225 HD22 LEU 29 1HD2 LEU 29 0.152 8.249 -0.381 226 HD23 LEU 29 2HD2 LEU 29 -0.666 7.425 -1.709 227 H HIS 30 H HIS 30 1.955 10.321 -3.129 228 HA HIS 30 HA HIS 30 1.555 12.941 -4.398 229 HB2 HIS 30 1HB HIS 30 4.246 11.713 -3.761 230 HB3 HIS 30 2HB HIS 30 3.983 13.212 -4.648 231 HD1 HIS 30 1HD HIS 30 1.999 14.650 -2.877 232 HD2 HIS 30 2HD HIS 30 5.253 12.540 -1.389 233 HE1 HIS 30 1HE HIS 30 2.444 15.620 -0.600 234 H LYS 31 H LYS 31 1.831 12.998 -6.608 235 HA LYS 31 HA LYS 31 1.782 10.408 -7.927 236 HB2 LYS 31 1HB LYS 31 0.868 13.129 -8.546 237 HB3 LYS 31 2HB LYS 31 1.561 12.280 -9.922 238 HG2 LYS 31 1HG LYS 31 0.005 10.367 -9.355 239 HG3 LYS 31 2HG LYS 31 -0.799 11.481 -8.247 240 HD2 LYS 31 1HD LYS 31 -2.055 12.027 -10.024 241 HD3 LYS 31 2HD LYS 31 -0.651 12.968 -10.533 242 HE2 LYS 31 1HE LYS 31 -1.536 10.253 -11.447 243 HE3 LYS 31 2HE LYS 31 -1.199 11.689 -12.411 244 HZ1 LYS 31 3HZ LYS 31 0.734 9.880 -11.092 245 HZ2 LYS 31 1HZ LYS 31 1.174 11.426 -11.620 246 HZ3 LYS 31 2HZ LYS 31 0.621 10.278 -12.732 247 H GLY 32 H GLY 32 2.951 10.287 -10.105 248 HA2 GLY 32 1HA GLY 32 5.470 11.745 -10.192 249 HA3 GLY 32 2HA GLY 32 5.595 10.016 -9.905 250 H LYS 33 H LYS 33 6.815 9.951 -11.896 251 HA LYS 33 HA LYS 33 5.039 9.775 -14.230 252 HB2 LYS 33 1HB LYS 33 7.671 11.202 -14.017 253 HB3 LYS 33 2HB LYS 33 7.144 10.537 -15.557 254 HG2 LYS 33 1HG LYS 33 5.121 11.894 -15.461 255 HG3 LYS 33 2HG LYS 33 5.632 12.552 -13.905 256 HD2 LYS 33 1HD LYS 33 7.508 13.639 -14.893 257 HD3 LYS 33 2HD LYS 33 7.268 12.794 -16.424 258 HE2 LYS 33 1HE LYS 33 5.375 14.054 -16.956 259 HE3 LYS 33 2HE LYS 33 5.143 14.578 -15.289 260 HZ1 LYS 33 3HZ LYS 33 6.518 15.896 -17.324 261 HZ2 LYS 33 1HZ LYS 33 7.665 15.440 -16.168 262 HZ3 LYS 33 2HZ LYS 33 6.333 16.377 -15.713 263 H ASP 34 H ASP 34 5.198 7.911 -15.308 264 HA ASP 34 HA ASP 34 7.324 6.052 -14.526 265 HB2 ASP 34 1HB ASP 34 4.532 5.766 -15.042 266 HB3 ASP 34 2HB ASP 34 5.411 4.803 -16.227 267 H TYR 35 H TYR 35 7.226 4.338 -16.720 268 HA TYR 35 HA TYR 35 9.145 5.406 -18.409 269 HB2 TYR 35 1HB TYR 35 8.330 3.519 -20.003 270 HB3 TYR 35 2HB TYR 35 9.019 3.082 -18.444 271 HD1 TYR 35 1HD TYR 35 5.694 3.866 -19.965 272 HD2 TYR 35 2HD TYR 35 7.884 1.539 -17.156 273 HE1 TYR 35 1HE TYR 35 3.651 2.608 -19.423 274 HE2 TYR 35 2HE TYR 35 5.848 0.273 -16.607 275 HH TYR 35 HH TYR 35 3.494 -0.181 -18.143 276 H GLN 36 H GLN 36 5.728 5.813 -18.451 277 HA GLN 36 HA GLN 36 5.900 7.120 -21.085 278 HB2 GLN 36 1HB GLN 36 3.693 5.599 -19.747 279 HB3 GLN 36 2HB GLN 36 3.305 6.827 -20.944 280 HG2 GLN 36 1HG GLN 36 5.326 5.249 -22.077 281 HG3 GLN 36 2HG GLN 36 4.188 4.132 -21.324 282 HE21 GLN 36 1HE2 GLN 36 2.222 3.824 -22.223 283 HE22 GLN 36 2HE2 GLN 36 1.693 4.580 -23.684 284 H GLY 37 H GLY 37 6.490 8.198 -18.357 285 HA2 GLY 37 1HA GLY 37 5.879 9.971 -16.981 286 HA3 GLY 37 2HA GLY 37 5.809 10.779 -18.540 287 H LYS 38 H LYS 38 3.770 8.552 -16.639 288 HA LYS 38 HA LYS 38 1.644 10.381 -16.359 289 HB2 LYS 38 1HB LYS 38 1.713 8.841 -18.837 290 HB3 LYS 38 2HB LYS 38 0.230 8.585 -17.926 291 HG2 LYS 38 1HG LYS 38 -0.571 10.546 -18.568 292 HG3 LYS 38 2HG LYS 38 0.876 11.382 -18.000 293 HD2 LYS 38 1HD LYS 38 0.456 11.719 -20.412 294 HD3 LYS 38 2HD LYS 38 2.004 10.934 -20.090 295 HE2 LYS 38 1HE LYS 38 1.420 9.144 -21.277 296 HE3 LYS 38 2HE LYS 38 -0.097 8.983 -20.394 297 HZ1 LYS 38 3HZ LYS 38 0.357 10.802 -22.697 298 HZ2 LYS 38 1HZ LYS 38 -1.103 10.595 -21.867 299 HZ3 LYS 38 2HZ LYS 38 -0.453 9.319 -22.768 300 HA PRO 39 HA PRO 39 0.074 6.046 -14.983 301 HB2 PRO 39 1HB PRO 39 1.502 3.868 -15.750 302 HB3 PRO 39 2HB PRO 39 0.197 4.553 -16.725 303 HG2 PRO 39 1HG PRO 39 3.156 4.914 -16.999 304 HG3 PRO 39 2HG PRO 39 1.941 4.643 -18.261 305 HD2 PRO 39 1HD PRO 39 2.947 7.096 -17.711 306 HD3 PRO 39 2HD PRO 39 1.282 6.852 -18.279 307 H MET 40 H MET 40 1.301 7.379 -13.269 308 HA MET 40 HA MET 40 2.996 5.526 -11.807 309 HB2 MET 40 1HB MET 40 4.184 7.553 -13.283 310 HB3 MET 40 2HB MET 40 4.105 8.217 -11.657 311 HG2 MET 40 1HG MET 40 5.203 5.481 -12.191 312 HG3 MET 40 2HG MET 40 6.199 6.929 -12.323 313 HE1 MET 40 3HE MET 40 4.753 4.299 -10.548 314 HE2 MET 40 1HE MET 40 6.129 4.228 -9.446 315 HE3 MET 40 2HE MET 40 4.544 4.720 -8.847 316 H PHE 41 H PHE 41 2.998 5.865 -9.574 317 HA PHE 41 HA PHE 41 1.780 8.155 -8.377 318 HB2 PHE 41 1HB PHE 41 -0.334 7.353 -8.828 319 HB3 PHE 41 2HB PHE 41 0.181 5.670 -8.791 320 HD1 PHE 41 1HD PHE 41 0.152 8.537 -6.397 321 HD2 PHE 41 2HD PHE 41 -0.758 4.441 -7.110 322 HE1 PHE 41 1HE PHE 41 -0.706 8.332 -4.100 323 HE2 PHE 41 2HE PHE 41 -1.618 4.229 -4.815 324 HZ PHE 41 HZ PHE 41 -1.594 6.176 -3.306 325 H TYR 42 H TYR 42 2.653 8.411 -6.428 326 HA TYR 42 HA TYR 42 3.994 6.106 -5.198 327 HB2 TYR 42 1HB TYR 42 4.400 9.076 -4.792 328 HB3 TYR 42 2HB TYR 42 5.262 7.822 -3.908 329 HD1 TYR 42 2HD TYR 42 6.475 6.040 -5.454 330 HD2 TYR 42 1HD TYR 42 5.400 9.972 -6.670 331 HE1 TYR 42 2HE TYR 42 8.172 5.948 -7.231 332 HE2 TYR 42 1HE TYR 42 7.093 9.891 -8.452 333 HH TYR 42 HH TYR 42 9.418 7.316 -8.660 334 H VAL 43 H VAL 43 3.475 5.392 -3.203 335 HA VAL 43 HA VAL 43 1.183 6.681 -1.888 336 HB VAL 43 HB VAL 43 2.202 3.898 -1.343 337 HG11 VAL 43 1HG1 VAL 43 -0.641 4.483 -1.054 338 HG12 VAL 43 2HG1 VAL 43 0.475 3.696 0.064 339 HG13 VAL 43 3HG1 VAL 43 0.386 5.456 -0.000 340 HG21 VAL 43 3HG2 VAL 43 0.854 4.886 -3.693 341 HG22 VAL 43 1HG2 VAL 43 1.490 3.276 -3.357 342 HG23 VAL 43 2HG2 VAL 43 -0.142 3.703 -2.845 343 H LEU 44 H LEU 44 2.296 8.241 -0.702 344 HA LEU 44 HA LEU 44 4.526 7.597 0.964 345 HB2 LEU 44 1HB LEU 44 2.723 9.982 0.714 346 HB3 LEU 44 2HB LEU 44 3.947 9.882 1.979 347 HG LEU 44 HG LEU 44 4.746 11.209 0.113 348 HD11 LEU 44 1HD1 LEU 44 6.215 9.528 1.424 349 HD12 LEU 44 2HD1 LEU 44 6.857 10.276 -0.038 350 HD13 LEU 44 3HD1 LEU 44 6.238 8.626 -0.091 351 HD21 LEU 44 3HD2 LEU 44 5.018 10.322 -2.095 352 HD22 LEU 44 1HD2 LEU 44 3.337 10.095 -1.613 353 HD23 LEU 44 2HD2 LEU 44 4.455 8.731 -1.580 354 H PHE 45 H PHE 45 4.186 6.137 2.537 355 HA PHE 45 HA PHE 45 2.123 6.773 4.529 356 HB2 PHE 45 1HB PHE 45 1.695 4.340 4.814 357 HB3 PHE 45 2HB PHE 45 1.232 4.937 3.223 358 HD1 PHE 45 2HD PHE 45 4.006 3.234 5.017 359 HD2 PHE 45 1HD PHE 45 2.010 3.881 1.314 360 HE1 PHE 45 2HE PHE 45 5.398 1.499 3.967 361 HE2 PHE 45 1HE PHE 45 3.398 2.146 0.258 362 HZ PHE 45 HZ PHE 45 5.096 0.953 1.585 363 H GLU 46 H GLU 46 2.548 5.836 6.660 364 HA GLU 46 HA GLU 46 5.441 5.655 7.159 365 HB2 GLU 46 1HB GLU 46 3.837 7.450 8.235 366 HB3 GLU 46 2HB GLU 46 3.454 6.138 9.340 367 HG2 GLU 46 1HG GLU 46 6.208 6.116 9.252 368 HG3 GLU 46 2HG GLU 46 5.804 7.831 9.200 369 H LEU 47 H LEU 47 5.258 3.366 6.490 370 HA LEU 47 HA LEU 47 3.825 1.561 8.220 371 HB2 LEU 47 1HB LEU 47 4.072 1.014 5.882 372 HB3 LEU 47 2HB LEU 47 5.827 1.082 6.019 373 HG LEU 47 HG LEU 47 4.633 -1.217 5.932 374 HD11 LEU 47 1HD1 LEU 47 6.537 -0.986 8.214 375 HD12 LEU 47 2HD1 LEU 47 7.069 -0.541 6.593 376 HD13 LEU 47 3HD1 LEU 47 6.478 -2.172 6.909 377 HD21 LEU 47 3HD2 LEU 47 3.176 -0.319 7.963 378 HD22 LEU 47 1HD2 LEU 47 4.515 -1.000 8.888 379 HD23 LEU 47 2HD2 LEU 47 3.592 -2.024 7.787 380 H THR 48 H THR 48 4.533 1.168 10.206 381 HA THR 48 HA THR 48 7.420 1.168 10.730 382 HB THR 48 HB THR 48 5.247 1.058 12.817 383 HG1 THR 48 1HG THR 48 4.872 2.951 11.688 384 HG21 THR 48 3HG2 THR 48 7.333 0.526 13.768 385 HG22 THR 48 1HG2 THR 48 7.104 2.238 14.122 386 HG23 THR 48 2HG2 THR 48 8.176 1.743 12.811 387 H ASN 49 H ASN 49 8.496 -0.642 11.231 388 HA ASN 49 HA ASN 49 7.084 -3.165 11.125 389 HB2 ASN 49 1HB ASN 49 9.311 -2.713 9.993 390 HB3 ASN 49 2HB ASN 49 10.037 -2.745 11.597 391 HD21 ASN 49 1HD2 ASN 49 11.289 -4.533 11.141 392 HD22 ASN 49 2HD2 ASN 49 10.623 -6.118 10.978 393 H THR 50 H THR 50 5.953 -2.400 13.206 394 HA THR 50 HA THR 50 7.162 -2.264 15.680 395 HB THR 50 HB THR 50 4.723 -1.885 15.203 396 HG1 THR 50 1HG THR 50 4.800 -1.917 17.316 397 HG21 THR 50 3HG2 THR 50 4.759 -4.445 14.237 398 HG22 THR 50 1HG2 THR 50 3.306 -3.547 14.671 399 HG23 THR 50 2HG2 THR 50 4.032 -4.662 15.829 400 H THR 51 H THR 51 6.734 -5.012 13.636 401 HA THR 51 HA THR 51 6.842 -7.085 15.520 402 HB THR 51 HB THR 51 7.382 -8.553 13.740 403 HG1 THR 51 1HG THR 51 8.118 -7.575 11.679 404 HG21 THR 51 3HG2 THR 51 5.886 -6.268 12.454 405 HG22 THR 51 1HG2 THR 51 5.165 -7.415 13.583 406 HG23 THR 51 2HG2 THR 51 5.788 -7.978 12.032 407 H GLU 52 H GLU 52 8.974 -8.690 14.879 408 HA GLU 52 HA GLU 52 11.349 -7.130 15.627 409 HB2 GLU 52 1HB GLU 52 10.389 -9.675 16.942 410 HB3 GLU 52 2HB GLU 52 11.982 -8.974 17.194 411 HG2 GLU 52 1HG GLU 52 10.453 -6.846 17.768 412 HG3 GLU 52 2HG GLU 52 9.356 -8.144 18.236 413 H LYS 53 H LYS 53 10.706 -8.038 13.055 414 HA LYS 53 HA LYS 53 12.762 -10.112 12.665 415 HB2 LYS 53 1HB LYS 53 10.404 -9.732 10.829 416 HB3 LYS 53 2HB LYS 53 11.521 -11.089 10.899 417 HG2 LYS 53 1HG LYS 53 10.549 -11.287 13.353 418 HG3 LYS 53 2HG LYS 53 9.178 -10.465 12.604 419 HD2 LYS 53 1HD LYS 53 8.501 -12.441 11.836 420 HD3 LYS 53 2HD LYS 53 9.931 -12.472 10.802 421 HE2 LYS 53 1HE LYS 53 11.154 -13.410 12.847 422 HE3 LYS 53 2HE LYS 53 9.550 -13.693 13.520 423 HZ1 LYS 53 3HZ LYS 53 10.153 -14.674 10.820 424 HZ2 LYS 53 1HZ LYS 53 9.081 -15.292 11.974 425 HZ3 LYS 53 2HZ LYS 53 10.745 -15.534 12.151 426 H THR 54 H THR 54 14.035 -9.941 10.767 427 HA THR 54 HA THR 54 14.177 -7.195 9.727 428 HB THR 54 HB THR 54 16.382 -9.171 9.310 429 HG1 THR 54 1HG THR 54 16.717 -9.313 11.386 430 HG21 THR 54 3HG2 THR 54 16.714 -7.082 8.249 431 HG22 THR 54 1HG2 THR 54 17.714 -7.042 9.700 432 HG23 THR 54 2HG2 THR 54 16.170 -6.189 9.668 433 H GLN 55 H GLN 55 12.470 -9.531 8.791 434 HA GLN 55 HA GLN 55 13.429 -10.445 6.310 435 HB2 GLN 55 1HB GLN 55 11.058 -10.993 5.832 436 HB3 GLN 55 2HB GLN 55 11.592 -11.565 7.407 437 HG2 GLN 55 1HG GLN 55 10.594 -9.158 8.087 438 HG3 GLN 55 2HG GLN 55 9.568 -9.551 6.708 439 HE21 GLN 55 1HE2 GLN 55 8.662 -9.303 9.355 440 HE22 GLN 55 2HE2 GLN 55 8.082 -10.846 9.873 441 H ASN 56 H ASN 56 11.740 -9.930 4.332 442 HA ASN 56 HA ASN 56 12.562 -7.462 3.320 443 HB2 ASN 56 1HB ASN 56 11.497 -9.624 2.184 444 HB3 ASN 56 2HB ASN 56 10.029 -8.657 2.298 445 HD21 ASN 56 1HD2 ASN 56 13.435 -8.031 1.505 446 HD22 ASN 56 2HD2 ASN 56 13.110 -7.180 0.037 447 H ILE 57 H ILE 57 11.174 -5.645 2.648 448 HA ILE 57 HA ILE 57 9.470 -4.833 4.866 449 HB ILE 57 HB ILE 57 10.416 -3.233 2.486 450 HG12 ILE 57 1HG1 ILE 57 11.408 -2.939 5.308 451 HG13 ILE 57 2HG1 ILE 57 12.124 -4.131 4.228 452 HG21 ILE 57 1HG2 ILE 57 9.834 -1.430 4.416 453 HG22 ILE 57 2HG2 ILE 57 8.719 -1.908 3.136 454 HG23 ILE 57 3HG2 ILE 57 8.606 -2.657 4.729 455 HD11 ILE 57 3HD1 ILE 57 12.024 -1.718 2.797 456 HD12 ILE 57 1HD1 ILE 57 12.622 -1.330 4.411 457 HD13 ILE 57 2HD1 ILE 57 13.443 -2.549 3.435 458 H GLN 58 H GLN 58 9.273 -4.715 1.303 459 HA GLN 58 HA GLN 58 6.637 -4.010 1.025 460 HB2 GLN 58 1HB GLN 58 6.904 -4.497 -1.170 461 HB3 GLN 58 2HB GLN 58 8.590 -4.684 -0.707 462 HG2 GLN 58 1HG GLN 58 8.157 -7.117 -0.385 463 HG3 GLN 58 2HG GLN 58 6.546 -6.861 -1.055 464 HE21 GLN 58 1HE2 GLN 58 9.741 -5.614 -1.952 465 HE22 GLN 58 2HE2 GLN 58 9.690 -6.172 -3.586 466 H LEU 59 H LEU 59 7.961 -7.106 1.935 467 HA LEU 59 HA LEU 59 5.860 -8.819 1.443 468 HB2 LEU 59 1HB LEU 59 8.202 -8.798 3.078 469 HB3 LEU 59 2HB LEU 59 6.863 -9.475 4.003 470 HG LEU 59 HG LEU 59 8.107 -11.248 2.941 471 HD11 LEU 59 1HD1 LEU 59 6.302 -12.439 2.257 472 HD12 LEU 59 2HD1 LEU 59 5.709 -11.153 1.206 473 HD13 LEU 59 3HD1 LEU 59 5.453 -11.056 2.948 474 HD21 LEU 59 3HD2 LEU 59 9.109 -10.901 0.992 475 HD22 LEU 59 1HD2 LEU 59 8.213 -9.400 0.756 476 HD23 LEU 59 2HD2 LEU 59 7.529 -10.931 0.207 477 H MET 60 H MET 60 6.148 -6.351 3.888 478 HA MET 60 HA MET 60 3.867 -7.263 5.397 479 HB2 MET 60 1HB MET 60 5.753 -4.955 5.557 480 HB3 MET 60 2HB MET 60 4.200 -4.823 6.371 481 HG2 MET 60 1HG MET 60 4.668 -6.726 7.729 482 HG3 MET 60 2HG MET 60 6.124 -7.090 6.806 483 HE1 MET 60 3HE MET 60 4.452 -4.630 9.408 484 HE2 MET 60 1HE MET 60 5.676 -3.362 9.489 485 HE3 MET 60 2HE MET 60 4.774 -3.622 7.996 486 H ILE 61 H ILE 61 4.565 -4.434 3.344 487 HA ILE 61 HA ILE 61 2.008 -3.320 3.388 488 HB ILE 61 HB ILE 61 4.036 -3.216 1.153 489 HG12 ILE 61 1HG1 ILE 61 4.853 -2.413 3.363 490 HG13 ILE 61 2HG1 ILE 61 4.775 -1.137 2.153 491 HG21 ILE 61 1HG2 ILE 61 2.416 -2.203 0.007 492 HG22 ILE 61 2HG2 ILE 61 1.368 -2.113 1.422 493 HG23 ILE 61 3HG2 ILE 61 2.584 -0.866 1.145 494 HD11 ILE 61 3HD1 ILE 61 3.982 -0.325 4.275 495 HD12 ILE 61 1HD1 ILE 61 2.648 -0.384 3.123 496 HD13 ILE 61 2HD1 ILE 61 2.797 -1.628 4.365 497 H GLN 62 H GLN 62 3.259 -6.038 1.636 498 HA GLN 62 HA GLN 62 1.175 -6.126 -0.328 499 HB2 GLN 62 1HB GLN 62 3.298 -8.075 0.543 500 HB3 GLN 62 2HB GLN 62 2.076 -8.508 -0.646 501 HG2 GLN 62 1HG GLN 62 2.955 -6.188 -1.690 502 HG3 GLN 62 2HG GLN 62 4.420 -6.751 -0.889 503 HE21 GLN 62 1HE2 GLN 62 5.114 -8.960 -1.394 504 HE22 GLN 62 2HE2 GLN 62 4.853 -9.562 -2.992 505 H SER 63 H SER 63 1.168 -6.688 2.927 506 HA SER 63 HA SER 63 -1.066 -8.598 2.705 507 HB2 SER 63 1HB SER 63 1.276 -9.060 4.038 508 HB3 SER 63 2HB SER 63 0.263 -8.409 5.327 509 HG SER 63 HG SER 63 0.085 -10.702 5.087 510 H PHE 64 H PHE 64 -0.372 -5.461 3.217 511 HA PHE 64 HA PHE 64 -2.520 -5.102 5.199 512 HB2 PHE 64 1HB PHE 64 -0.223 -3.273 4.475 513 HB3 PHE 64 2HB PHE 64 -1.527 -2.841 5.577 514 HD1 PHE 64 1HD PHE 64 -1.821 -5.448 7.010 515 HD2 PHE 64 2HD PHE 64 1.635 -3.229 5.889 516 HE1 PHE 64 1HE PHE 64 -0.574 -6.453 8.878 517 HE2 PHE 64 2HE PHE 64 2.887 -4.231 7.755 518 HZ PHE 64 HZ PHE 64 1.783 -5.846 9.252 519 H MET 65 H MET 65 -1.095 -3.027 2.681 520 HA MET 65 HA MET 65 -3.736 -2.071 1.968 521 HB2 MET 65 1HB MET 65 -0.978 -1.171 1.606 522 HB3 MET 65 2HB MET 65 -1.971 -0.942 0.172 523 HG2 MET 65 1HG MET 65 -3.497 0.435 1.328 524 HG3 MET 65 2HG MET 65 -2.825 -0.012 2.894 525 HE1 MET 65 3HE MET 65 -0.076 1.489 -0.143 526 HE2 MET 65 1HE MET 65 -1.706 0.906 -0.483 527 HE3 MET 65 2HE MET 65 -1.398 2.638 -0.359 528 H GLU 66 H GLU 66 -4.813 -2.464 0.088 529 HA GLU 66 HA GLU 66 -3.526 -4.236 -1.874 530 HB2 GLU 66 1HB GLU 66 -4.914 -5.700 -0.612 531 HB3 GLU 66 2HB GLU 66 -6.243 -4.550 -0.609 532 HG2 GLU 66 1HG GLU 66 -6.665 -4.911 -2.922 533 HG3 GLU 66 2HG GLU 66 -5.191 -5.861 -3.100 534 H VAL 67 H VAL 67 -3.207 -2.518 -3.291 535 HA VAL 67 HA VAL 67 -5.555 -1.024 -4.190 536 HB VAL 67 HB VAL 67 -3.722 0.413 -3.816 537 HG11 VAL 67 1HG1 VAL 67 -1.597 -0.218 -5.382 538 HG12 VAL 67 2HG1 VAL 67 -1.740 -0.638 -3.674 539 HG13 VAL 67 3HG1 VAL 67 -2.163 -1.821 -4.913 540 HG21 VAL 67 3HG2 VAL 67 -3.860 1.558 -5.741 541 HG22 VAL 67 1HG2 VAL 67 -3.197 0.228 -6.690 542 HG23 VAL 67 2HG2 VAL 67 -4.910 0.243 -6.269 543 H SER 68 H SER 68 -6.572 -1.437 -6.044 544 HA SER 68 HA SER 68 -5.196 -2.840 -8.196 545 HB2 SER 68 1HB SER 68 -7.467 -4.250 -8.314 546 HB3 SER 68 2HB SER 68 -6.074 -4.793 -7.379 547 HG SER 68 HG SER 68 -7.486 -4.822 -5.811 548 H GLN 69 H GLN 69 -6.570 -2.934 -10.190 549 HA GLN 69 HA GLN 69 -8.740 -1.020 -10.334 550 HB2 GLN 69 1HB GLN 69 -6.163 -0.593 -11.855 551 HB3 GLN 69 2HB GLN 69 -7.656 0.293 -12.140 552 HG2 GLN 69 1HG GLN 69 -7.564 1.203 -9.888 553 HG3 GLN 69 2HG GLN 69 -6.092 0.288 -9.568 554 HE21 GLN 69 1HE2 GLN 69 -7.489 2.913 -11.405 555 HE22 GLN 69 2HE2 GLN 69 -5.999 3.704 -11.776 556 H THR 70 H THR 70 -10.055 -1.298 -12.122 557 HA THR 70 HA THR 70 -10.293 -3.807 -13.227 558 HB THR 70 HB THR 70 -11.167 -1.563 -14.960 559 HG1 THR 70 1HG THR 70 -12.957 -1.375 -13.245 560 HG21 THR 70 3HG2 THR 70 -13.367 -2.918 -14.529 561 HG22 THR 70 1HG2 THR 70 -12.254 -4.152 -13.938 562 HG23 THR 70 2HG2 THR 70 -12.122 -3.566 -15.596 563 H VAL 71 H VAL 71 -8.901 -4.888 -14.450 564 HA VAL 71 HA VAL 71 -7.633 -3.488 -16.706 565 HB VAL 71 HB VAL 71 -5.896 -3.694 -15.060 566 HG11 VAL 71 1HG1 VAL 71 -6.513 -6.644 -14.948 567 HG12 VAL 71 2HG1 VAL 71 -5.261 -5.793 -14.041 568 HG13 VAL 71 3HG1 VAL 71 -6.964 -5.467 -13.715 569 HG21 VAL 71 3HG2 VAL 71 -5.052 -5.999 -16.643 570 HG22 VAL 71 1HG2 VAL 71 -5.731 -4.688 -17.608 571 HG23 VAL 71 2HG2 VAL 71 -4.361 -4.380 -16.541 572 H HIS 72 H HIS 72 -8.038 -4.447 -18.581 573 HA HIS 72 HA HIS 72 -8.586 -6.002 -20.149 574 HB2 HIS 72 1HB HIS 72 -6.742 -7.261 -18.485 575 HB3 HIS 72 2HB HIS 72 -8.068 -8.415 -18.608 576 HD1 HIS 72 1HD HIS 72 -8.724 -9.130 -21.114 577 HD2 HIS 72 2HD HIS 72 -5.087 -7.176 -20.655 578 HE1 HIS 72 1HE HIS 72 -7.441 -9.591 -23.227 579 H GLY 73 H GLY 73 -10.420 -5.223 -17.851 580 HA2 GLY 73 1HA GLY 73 -12.761 -5.607 -17.835 581 HA3 GLY 73 2HA GLY 73 -12.474 -7.217 -18.477 582 H LYS 74 H LYS 74 -10.251 -6.789 -16.101 583 HA LYS 74 HA LYS 74 -12.012 -7.524 -13.892 584 HB2 LYS 74 1HB LYS 74 -9.833 -9.279 -15.011 585 HB3 LYS 74 2HB LYS 74 -10.408 -9.444 -13.357 586 HG2 LYS 74 1HG LYS 74 -12.725 -9.441 -14.865 587 HG3 LYS 74 2HG LYS 74 -11.582 -10.376 -15.832 588 HD2 LYS 74 1HD LYS 74 -11.877 -10.899 -12.898 589 HD3 LYS 74 2HD LYS 74 -13.024 -11.588 -14.050 590 HE2 LYS 74 1HE LYS 74 -11.574 -13.167 -14.645 591 HE3 LYS 74 2HE LYS 74 -10.318 -11.970 -14.958 592 HZ1 LYS 74 3HZ LYS 74 -10.804 -13.572 -12.568 593 HZ2 LYS 74 1HZ LYS 74 -10.232 -11.998 -12.331 594 HZ3 LYS 74 2HZ LYS 74 -9.342 -13.088 -13.267 595 H ALA 75 H ALA 75 -11.405 -6.526 -12.087 596 HA ALA 75 HA ALA 75 -9.137 -4.845 -11.992 597 HB1 ALA 75 1HB ALA 75 -10.818 -4.079 -10.636 598 HB2 ALA 75 2HB ALA 75 -11.218 -5.689 -10.035 599 HB3 ALA 75 3HB ALA 75 -9.775 -4.861 -9.448 600 H GLN 76 H GLN 76 -7.147 -5.092 -11.099 601 HA GLN 76 HA GLN 76 -6.540 -7.540 -9.622 602 HB2 GLN 76 1HB GLN 76 -5.019 -8.382 -11.086 603 HB3 GLN 76 2HB GLN 76 -6.036 -7.548 -12.253 604 HG2 GLN 76 1HG GLN 76 -4.515 -5.610 -12.145 605 HG3 GLN 76 2HG GLN 76 -3.472 -6.525 -11.057 606 HE21 GLN 76 1HE2 GLN 76 -2.061 -5.819 -12.987 607 HE22 GLN 76 2HE2 GLN 76 -1.888 -6.992 -14.243 608 H ASN 77 H ASN 77 -4.645 -7.420 -8.339 609 HA ASN 77 HA ASN 77 -4.171 -4.894 -7.187 610 HB2 ASN 77 1HB ASN 77 -2.572 -5.994 -5.787 611 HB3 ASN 77 2HB ASN 77 -3.891 -7.130 -6.055 612 HD21 ASN 77 1HD2 ASN 77 -3.572 -8.799 -7.652 613 HD22 ASN 77 2HD2 ASN 77 -1.979 -9.397 -7.950 614 H LEU 78 H LEU 78 -2.926 -3.281 -7.848 615 HA LEU 78 HA LEU 78 -1.246 -3.521 -10.139 616 HB2 LEU 78 1HB LEU 78 -1.608 -1.283 -8.154 617 HB3 LEU 78 2HB LEU 78 -0.649 -1.159 -9.628 618 HG LEU 78 HG LEU 78 -2.503 -0.325 -10.549 619 HD11 LEU 78 1HD1 LEU 78 -4.035 -1.919 -11.485 620 HD12 LEU 78 2HD1 LEU 78 -3.586 -3.124 -10.279 621 HD13 LEU 78 3HD1 LEU 78 -2.414 -2.614 -11.494 622 HD21 LEU 78 3HD2 LEU 78 -4.802 -1.162 -9.329 623 HD22 LEU 78 1HD2 LEU 78 -3.907 0.302 -8.923 624 HD23 LEU 78 2HD2 LEU 78 -3.646 -1.176 -7.997 625 H GLN 79 H GLN 79 0.798 -4.156 -10.220 626 HA GLN 79 HA GLN 79 2.292 -4.519 -7.758 627 HB2 GLN 79 1HB GLN 79 3.917 -5.698 -9.164 628 HB3 GLN 79 2HB GLN 79 2.291 -6.319 -9.410 629 HG2 GLN 79 1HG GLN 79 2.463 -4.392 -11.335 630 HG3 GLN 79 2HG GLN 79 4.110 -5.019 -11.282 631 HE21 GLN 79 1HE2 GLN 79 4.518 -7.100 -11.938 632 HE22 GLN 79 2HE2 GLN 79 3.349 -8.075 -12.755 633 H TYR 80 H TYR 80 4.805 -4.091 -8.140 634 HA TYR 80 HA TYR 80 5.239 -1.388 -7.910 635 HB2 TYR 80 1HB TYR 80 6.884 -3.072 -7.234 636 HB3 TYR 80 2HB TYR 80 7.188 -3.471 -8.921 637 HD1 TYR 80 2HD TYR 80 7.626 -0.897 -6.320 638 HD2 TYR 80 1HD TYR 80 8.609 -2.106 -10.279 639 HE1 TYR 80 2HE TYR 80 9.380 0.825 -6.404 640 HE2 TYR 80 1HE TYR 80 10.367 -0.388 -10.374 641 HH TYR 80 HH TYR 80 11.725 0.987 -7.943 642 H ALA 81 H ALA 81 5.327 0.281 -9.264 643 HA ALA 81 HA ALA 81 4.907 -0.141 -12.085 644 HB1 ALA 81 1HB ALA 81 4.963 2.243 -10.288 645 HB2 ALA 81 2HB ALA 81 5.071 2.459 -12.035 646 HB3 ALA 81 3HB ALA 81 3.670 1.652 -11.332 647 H VAL 82 H VAL 82 6.287 0.375 -13.757 648 HA VAL 82 HA VAL 82 9.116 0.527 -13.029 649 HB VAL 82 HB VAL 82 7.772 -0.119 -15.654 650 HG11 VAL 82 1HG1 VAL 82 9.687 0.698 -16.525 651 HG12 VAL 82 2HG1 VAL 82 10.566 0.559 -15.000 652 HG13 VAL 82 3HG1 VAL 82 10.334 -0.863 -16.018 653 HG21 VAL 82 3HG2 VAL 82 7.544 -1.999 -14.305 654 HG22 VAL 82 1HG2 VAL 82 9.039 -2.322 -15.183 655 HG23 VAL 82 2HG2 VAL 82 9.102 -1.745 -13.518 656 H LEU 83 H LEU 83 10.199 2.372 -13.157 657 HA LEU 83 HA LEU 83 9.250 4.444 -15.021 658 HB2 LEU 83 1HB LEU 83 10.280 6.016 -13.186 659 HB3 LEU 83 2HB LEU 83 8.617 5.444 -13.076 660 HG LEU 83 HG LEU 83 9.440 3.645 -11.530 661 HD11 LEU 83 1HD1 LEU 83 11.684 3.367 -11.752 662 HD12 LEU 83 2HD1 LEU 83 11.684 4.510 -10.409 663 HD13 LEU 83 3HD1 LEU 83 11.982 5.080 -12.051 664 HD21 LEU 83 3HD2 LEU 83 9.193 4.986 -9.675 665 HD22 LEU 83 1HD2 LEU 83 8.488 6.001 -10.933 666 HD23 LEU 83 2HD2 LEU 83 10.131 6.308 -10.371 667 H THR 84 H THR 84 10.802 5.608 -16.101 668 HA THR 84 HA THR 84 13.349 4.378 -16.412 669 HB THR 84 HB THR 84 13.839 6.388 -17.874 670 HG1 THR 84 1HG THR 84 12.558 8.031 -17.496 671 HG21 THR 84 3HG2 THR 84 11.401 4.682 -18.344 672 HG22 THR 84 1HG2 THR 84 13.040 4.422 -18.938 673 HG23 THR 84 2HG2 THR 84 12.072 5.752 -19.574 674 H ASP 85 H ASP 85 12.156 7.077 -14.559 675 HA ASP 85 HA ASP 85 14.374 7.162 -12.855 676 HB2 ASP 85 1HB ASP 85 15.123 8.271 -15.188 677 HB3 ASP 85 2HB ASP 85 14.419 9.687 -14.412 678 H SER 86 H SER 86 14.021 8.482 -11.087 679 HA SER 86 HA SER 86 12.031 10.547 -11.105 680 HB2 SER 86 1HB SER 86 11.399 7.835 -10.001 681 HB3 SER 86 2HB SER 86 10.737 9.264 -9.208 682 HG SER 86 HG SER 86 10.502 8.978 -11.993 683 HA PRO 87 HA PRO 87 14.396 11.944 -7.681 684 HB2 PRO 87 1HB PRO 87 12.545 13.395 -6.324 685 HB3 PRO 87 2HB PRO 87 13.250 13.928 -7.855 686 HG2 PRO 87 1HG PRO 87 10.615 12.603 -7.343 687 HG3 PRO 87 2HG PRO 87 10.993 13.965 -8.414 688 HD2 PRO 87 1HD PRO 87 10.677 11.437 -9.329 689 HD3 PRO 87 2HD PRO 87 11.793 12.593 -10.084 690 H PHE 88 H PHE 88 11.438 10.182 -7.102 691 HA PHE 88 HA PHE 88 12.115 9.731 -4.301 692 HB2 PHE 88 1HB PHE 88 9.709 9.179 -6.002 693 HB3 PHE 88 2HB PHE 88 9.927 8.305 -4.490 694 HD1 PHE 88 2HD PHE 88 9.521 11.658 -5.973 695 HD2 PHE 88 1HD PHE 88 9.507 9.332 -2.408 696 HE1 PHE 88 2HE PHE 88 8.555 13.557 -4.742 697 HE2 PHE 88 1HE PHE 88 8.540 11.227 -1.172 698 HZ PHE 88 HZ PHE 88 8.064 13.343 -2.338 699 H GLN 89 H GLN 89 13.960 8.684 -6.129 700 HA GLN 89 HA GLN 89 13.430 5.877 -6.508 701 HB2 GLN 89 1HB GLN 89 15.240 7.764 -7.568 702 HB3 GLN 89 2HB GLN 89 16.216 6.544 -6.761 703 HG2 GLN 89 1HG GLN 89 14.033 5.728 -8.628 704 HG3 GLN 89 2HG GLN 89 15.596 6.251 -9.254 705 HE21 GLN 89 1HE2 GLN 89 14.111 3.997 -6.972 706 HE22 GLN 89 2HE2 GLN 89 15.284 2.745 -7.173 707 H ASP 90 H ASP 90 14.355 7.733 -3.903 708 HA ASP 90 HA ASP 90 16.232 5.921 -2.704 709 HB2 ASP 90 1HB ASP 90 15.255 8.554 -2.181 710 HB3 ASP 90 2HB ASP 90 15.035 7.581 -0.729 711 H LYS 91 H LYS 91 12.970 6.940 -1.672 712 HA LYS 91 HA LYS 91 12.581 4.923 0.205 713 HB2 LYS 91 1HB LYS 91 10.394 6.170 -1.461 714 HB3 LYS 91 2HB LYS 91 10.254 5.500 0.159 715 HG2 LYS 91 1HG LYS 91 12.140 7.402 0.555 716 HG3 LYS 91 2HG LYS 91 11.174 8.142 -0.724 717 HD2 LYS 91 1HD LYS 91 9.139 7.634 0.670 718 HD3 LYS 91 2HD LYS 91 10.238 7.178 1.974 719 HE2 LYS 91 1HE LYS 91 11.284 9.489 1.652 720 HE3 LYS 91 2HE LYS 91 9.849 9.872 0.703 721 HZ1 LYS 91 3HZ LYS 91 8.475 9.635 2.550 722 HZ2 LYS 91 1HZ LYS 91 9.826 10.445 3.168 723 HZ3 LYS 91 2HZ LYS 91 9.635 8.787 3.443 724 H LEU 92 H LEU 92 12.305 4.857 -3.255 725 HA LEU 92 HA LEU 92 10.654 2.629 -3.596 726 HB2 LEU 92 1HB LEU 92 12.644 4.077 -5.204 727 HB3 LEU 92 2HB LEU 92 12.377 2.401 -5.677 728 HG LEU 92 HG LEU 92 10.114 2.807 -6.209 729 HD11 LEU 92 1HD1 LEU 92 9.020 4.102 -4.745 730 HD12 LEU 92 2HD1 LEU 92 9.474 5.421 -5.823 731 HD13 LEU 92 3HD1 LEU 92 10.444 5.080 -4.390 732 HD21 LEU 92 3HD2 LEU 92 11.033 5.392 -7.232 733 HD22 LEU 92 1HD2 LEU 92 10.482 3.956 -8.096 734 HD23 LEU 92 2HD2 LEU 92 12.148 4.056 -7.526 735 H ASP 93 H ASP 93 13.898 2.869 -2.476 736 HA ASP 93 HA ASP 93 14.574 0.115 -3.029 737 HB2 ASP 93 1HB ASP 93 16.020 2.446 -2.422 738 HB3 ASP 93 2HB ASP 93 16.274 1.364 -1.056 739 H ARG 94 H ARG 94 12.519 1.472 -0.905 740 HA ARG 94 HA ARG 94 13.230 -0.203 1.379 741 HB2 ARG 94 1HB ARG 94 10.908 1.711 1.128 742 HB3 ARG 94 2HB ARG 94 11.554 1.009 2.605 743 HG2 ARG 94 1HG ARG 94 13.091 2.877 0.815 744 HG3 ARG 94 2HG ARG 94 12.176 3.385 2.236 745 HD2 ARG 94 1HD ARG 94 13.698 2.540 3.683 746 HD3 ARG 94 2HD ARG 94 14.091 1.175 2.638 747 HE ARG 94 HE ARG 94 15.842 2.384 1.825 748 HH11 ARG 94 1HH1 ARG 94 13.537 4.584 3.227 749 HH12 ARG 94 2HH1 ARG 94 14.537 5.981 3.002 750 HH21 ARG 94 1HH2 ARG 94 17.168 4.215 1.523 751 HH22 ARG 94 2HH2 ARG 94 16.602 5.770 2.032 752 H LEU 95 H LEU 95 12.302 -1.365 -1.148 753 HA LEU 95 HA LEU 95 9.843 -2.665 -0.174 754 HB2 LEU 95 1HB LEU 95 10.705 -2.131 -3.012 755 HB3 LEU 95 2HB LEU 95 9.311 -3.109 -2.556 756 HG LEU 95 HG LEU 95 9.651 -0.158 -2.023 757 HD11 LEU 95 1HD1 LEU 95 7.549 -0.232 -3.595 758 HD12 LEU 95 2HD1 LEU 95 8.297 -1.726 -4.159 759 HD13 LEU 95 3HD1 LEU 95 9.182 -0.205 -4.261 760 HD21 LEU 95 3HD2 LEU 95 8.355 -1.227 -0.274 761 HD22 LEU 95 1HD2 LEU 95 7.340 -2.019 -1.480 762 HD23 LEU 95 2HD2 LEU 95 7.300 -0.264 -1.309 763 H ALA 96 H ALA 96 12.727 -3.151 -2.202 764 HA ALA 96 HA ALA 96 12.528 -6.038 -1.796 765 HB1 ALA 96 1HB ALA 96 14.818 -5.142 -3.332 766 HB2 ALA 96 2HB ALA 96 13.517 -6.245 -3.781 767 HB3 ALA 96 3HB ALA 96 13.300 -4.505 -3.964 768 H ASP 97 H ASP 97 13.240 -4.257 0.407 769 HA ASP 97 HA ASP 97 15.848 -5.445 1.055 770 HB2 ASP 97 1HB ASP 97 15.537 -2.759 0.535 771 HB3 ASP 97 2HB ASP 97 15.394 -2.827 2.290 772 H GLU 98 H GLU 98 16.223 -4.818 3.579 773 HA GLU 98 HA GLU 98 14.015 -6.138 4.928 774 HB2 GLU 98 1HB GLU 98 16.695 -5.276 6.031 775 HB3 GLU 98 2HB GLU 98 15.539 -6.342 6.816 776 HG2 GLU 98 1HG GLU 98 15.989 -8.102 5.392 777 HG3 GLU 98 2HG GLU 98 16.642 -7.052 4.136 778 H ILE 99 H ILE 99 13.235 -5.342 7.021 779 HA ILE 99 HA ILE 99 12.850 -2.443 6.919 780 HB ILE 99 HB ILE 99 11.356 -3.927 8.957 781 HG12 ILE 99 1HG1 ILE 99 9.831 -4.583 6.777 782 HG13 ILE 99 2HG1 ILE 99 11.458 -4.894 6.181 783 HG21 ILE 99 1HG2 ILE 99 9.506 -2.704 7.492 784 HG22 ILE 99 2HG2 ILE 99 10.500 -1.843 8.666 785 HG23 ILE 99 3HG2 ILE 99 10.914 -1.790 6.953 786 HD11 ILE 99 3HD1 ILE 99 10.356 -6.025 8.739 787 HD12 ILE 99 1HD1 ILE 99 10.337 -6.863 7.188 788 HD13 ILE 99 2HD1 ILE 99 11.874 -6.446 7.946 789 H ASN 100 H ASN 100 12.282 -1.700 9.395 790 HA ASN 100 HA ASN 100 14.675 -2.389 10.972 791 HB2 ASN 100 1HB ASN 100 13.578 0.217 10.147 792 HB3 ASN 100 2HB ASN 100 14.022 0.115 11.848 793 HD21 ASN 100 1HD2 ASN 100 15.520 -1.548 9.132 794 HD22 ASN 100 2HD2 ASN 100 17.064 -0.786 9.283 795 HA PRO 101 HA PRO 101 11.052 -3.512 13.558 796 HB2 PRO 101 1HB PRO 101 12.301 -5.599 14.765 797 HB3 PRO 101 2HB PRO 101 11.496 -5.737 13.198 798 HG2 PRO 101 1HG PRO 101 14.406 -5.391 13.808 799 HG3 PRO 101 2HG PRO 101 13.631 -6.457 12.622 800 HD2 PRO 101 1HD PRO 101 14.770 -4.098 11.936 801 HD3 PRO 101 2HD PRO 101 13.357 -4.758 11.088 802 H GLY 102 H GLY 102 11.070 -1.786 14.961 803 HA2 GLY 102 1HA GLY 102 11.355 -1.422 17.367 804 HA3 GLY 102 2HA GLY 102 13.016 -1.966 17.177 805 H GLU 103 H GLU 103 12.222 -0.119 14.536 806 HA GLU 103 HA GLU 103 13.362 2.294 15.787 807 HB2 GLU 103 1HB GLU 103 14.714 0.981 14.009 808 HB3 GLU 103 2HB GLU 103 13.580 1.671 12.856 809 HG2 GLU 103 1HG GLU 103 14.318 3.839 13.234 810 HG3 GLU 103 2HG GLU 103 15.064 3.419 14.775 811 H THR 104 H THR 104 12.854 4.320 14.452 812 HA THR 104 HA THR 104 10.000 4.257 13.715 813 HB THR 104 HB THR 104 11.575 6.534 14.933 814 HG1 THR 104 1HG THR 104 9.603 4.752 15.941 815 HG21 THR 104 3HG2 THR 104 8.745 6.345 13.927 816 HG22 THR 104 1HG2 THR 104 9.980 7.533 13.510 817 HG23 THR 104 2HG2 THR 104 9.243 7.551 15.113 818 H ILE 105 H ILE 105 10.208 4.003 11.515 819 HA ILE 105 HA ILE 105 11.148 6.355 10.074 820 HB ILE 105 HB ILE 105 12.464 5.128 8.483 821 HG12 ILE 105 1HG1 ILE 105 12.860 2.589 9.533 822 HG13 ILE 105 2HG1 ILE 105 11.125 2.839 9.697 823 HG21 ILE 105 1HG2 ILE 105 13.226 4.428 11.314 824 HG22 ILE 105 2HG2 ILE 105 14.309 4.342 9.926 825 HG23 ILE 105 3HG2 ILE 105 13.653 5.897 10.437 826 HD11 ILE 105 3HD1 ILE 105 12.316 3.556 7.096 827 HD12 ILE 105 1HD1 ILE 105 12.265 1.841 7.503 828 HD13 ILE 105 2HD1 ILE 105 10.775 2.785 7.472 829 H GLN 106 H GLN 106 10.842 5.586 7.517 830 HA GLN 106 HA GLN 106 8.366 4.136 7.167 831 HB2 GLN 106 1HB GLN 106 7.134 5.966 6.164 832 HB3 GLN 106 2HB GLN 106 7.598 6.398 7.804 833 HG2 GLN 106 1HG GLN 106 9.567 7.611 6.783 834 HG3 GLN 106 2HG GLN 106 8.777 7.378 5.225 835 HE21 GLN 106 1HE2 GLN 106 8.272 8.701 8.459 836 HE22 GLN 106 2HE2 GLN 106 7.206 9.969 7.968 837 H GLY 107 H GLY 107 7.679 4.903 4.642 838 HA2 GLY 107 1HA GLY 107 9.924 5.142 2.893 839 HA3 GLY 107 2HA GLY 107 9.375 3.476 3.005 840 H ALA 108 H ALA 108 8.875 3.591 0.748 841 HA ALA 108 HA ALA 108 6.196 4.658 0.291 842 HB1 ALA 108 1HB ALA 108 8.285 5.144 -1.799 843 HB2 ALA 108 2HB ALA 108 6.710 5.912 -1.595 844 HB3 ALA 108 3HB ALA 108 8.029 6.297 -0.489 845 H TYR 109 H TYR 109 5.095 3.674 -1.487 846 HA TYR 109 HA TYR 109 6.380 1.329 -2.675 847 HB2 TYR 109 1HB TYR 109 4.975 0.841 -0.509 848 HB3 TYR 109 2HB TYR 109 3.603 1.021 -1.597 849 HD1 TYR 109 2HD TYR 109 5.060 -0.158 -4.052 850 HD2 TYR 109 1HD TYR 109 4.633 -1.480 -0.031 851 HE1 TYR 109 2HE TYR 109 5.340 -2.486 -4.794 852 HE2 TYR 109 1HE TYR 109 4.913 -3.812 -0.761 853 HH TYR 109 HH TYR 109 4.712 -4.768 -3.973 854 HA PRO 110 HA PRO 110 4.060 3.684 -5.847 855 HB2 PRO 110 1HB PRO 110 5.806 3.106 -7.844 856 HB3 PRO 110 2HB PRO 110 6.052 4.438 -6.709 857 HG2 PRO 110 1HG PRO 110 7.248 1.694 -6.695 858 HG3 PRO 110 2HG PRO 110 8.027 3.255 -6.379 859 HD2 PRO 110 1HD PRO 110 7.263 1.579 -4.394 860 HD3 PRO 110 2HD PRO 110 7.251 3.345 -4.210 861 H TYR 111 H TYR 111 2.316 2.639 -6.563 862 HA TYR 111 HA TYR 111 2.592 -0.127 -7.507 863 HB2 TYR 111 1HB TYR 111 0.047 1.371 -6.860 864 HB3 TYR 111 2HB TYR 111 0.216 -0.357 -7.149 865 HD1 TYR 111 2HD TYR 111 2.127 -1.439 -5.521 866 HD2 TYR 111 1HD TYR 111 -0.262 1.976 -4.665 867 HE1 TYR 111 2HE TYR 111 2.468 -1.811 -3.114 868 HE2 TYR 111 1HE TYR 111 0.074 1.614 -2.255 869 HH TYR 111 HH TYR 111 1.719 0.504 -0.772 870 H GLU 112 H GLU 112 1.238 -0.758 -9.380 871 HA GLU 112 HA GLU 112 1.843 0.766 -11.640 872 HB2 GLU 112 1HB GLU 112 0.785 -1.762 -11.137 873 HB3 GLU 112 2HB GLU 112 -0.478 -0.935 -12.037 874 HG2 GLU 112 1HG GLU 112 0.619 -1.541 -13.866 875 HG3 GLU 112 2HG GLU 112 1.800 -0.303 -13.440 876 H PHE 113 H PHE 113 0.697 2.181 -12.899 877 HA PHE 113 HA PHE 113 -1.886 3.100 -11.817 878 HB2 PHE 113 1HB PHE 113 0.372 4.581 -11.750 879 HB3 PHE 113 2HB PHE 113 -0.239 5.035 -13.338 880 HD1 PHE 113 2HD PHE 113 -1.930 4.330 -10.089 881 HD2 PHE 113 1HD PHE 113 -1.190 7.119 -13.218 882 HE1 PHE 113 2HE PHE 113 -3.480 5.922 -9.032 883 HE2 PHE 113 1HE PHE 113 -2.739 8.716 -12.166 884 HZ PHE 113 HZ PHE 113 -3.887 8.117 -10.071 885 H ILE 114 H ILE 114 -0.872 1.283 -14.129 886 HA ILE 114 HA ILE 114 -1.300 2.231 -16.619 887 HB ILE 114 HB ILE 114 -2.461 -0.339 -15.536 888 HG12 ILE 114 1HG1 ILE 114 0.176 0.213 -16.916 889 HG13 ILE 114 2HG1 ILE 114 -0.026 -0.102 -15.196 890 HG21 ILE 114 1HG2 ILE 114 -3.481 0.247 -17.655 891 HG22 ILE 114 2HG2 ILE 114 -1.892 0.508 -18.373 892 HG23 ILE 114 3HG2 ILE 114 -2.377 -1.112 -17.871 893 HD11 ILE 114 3HD1 ILE 114 -0.655 -2.021 -17.426 894 HD12 ILE 114 1HD1 ILE 114 0.759 -2.073 -16.373 895 HD13 ILE 114 2HD1 ILE 114 -0.851 -2.339 -15.703 896 H ASN 115 H ASN 115 -3.794 1.579 -14.212 897 HA ASN 115 HA ASN 115 -5.923 2.304 -16.042 898 HB2 ASN 115 1HB ASN 115 -5.769 1.255 -13.252 899 HB3 ASN 115 2HB ASN 115 -7.228 2.115 -13.735 900 HD21 ASN 115 1HD2 ASN 115 -7.621 1.373 -16.274 901 HD22 ASN 115 2HD2 ASN 115 -7.867 -0.333 -16.387 902 H GLU 116 H GLU 116 -4.264 4.407 -15.942 903 HA GLU 116 HA GLU 116 -4.729 6.299 -13.916 904 HB2 GLU 116 1HB GLU 116 -3.881 7.956 -15.546 905 HB3 GLU 116 2HB GLU 116 -2.856 6.532 -15.431 906 HG2 GLU 116 1HG GLU 116 -2.930 6.512 -17.652 907 HG3 GLU 116 2HG GLU 116 -4.554 5.854 -17.460 908 H ASN 117 H ASN 117 -6.510 5.470 -16.808 909 HA ASN 117 HA ASN 117 -8.221 7.775 -16.714 910 HB2 ASN 117 1HB ASN 117 -9.570 6.405 -18.402 911 HB3 ASN 117 2HB ASN 117 -7.930 6.846 -18.868 912 HD21 ASN 117 1HD2 ASN 117 -6.274 5.232 -18.672 913 HD22 ASN 117 2HD2 ASN 117 -6.685 3.559 -18.810 914 H LYS 118 H LYS 118 -8.058 4.874 -15.003 915 HA LYS 118 HA LYS 118 -10.895 5.075 -14.232 916 HB2 LYS 118 1HB LYS 118 -9.138 2.658 -13.830 917 HB3 LYS 118 2HB LYS 118 -10.890 2.752 -13.714 918 HG2 LYS 118 1HG LYS 118 -9.328 3.145 -16.257 919 HG3 LYS 118 2HG LYS 118 -10.086 1.629 -15.764 920 HD2 LYS 118 1HD LYS 118 -12.241 3.054 -15.571 921 HD3 LYS 118 2HD LYS 118 -11.370 4.210 -16.580 922 HE2 LYS 118 1HE LYS 118 -10.993 2.401 -18.235 923 HE3 LYS 118 2HE LYS 118 -11.988 1.334 -17.245 924 HZ1 LYS 118 3HZ LYS 118 -12.795 3.311 -19.121 925 HZ2 LYS 118 1HZ LYS 118 -13.497 3.599 -17.609 926 HZ3 LYS 118 2HZ LYS 118 -13.717 2.106 -18.372 927 HA PRO 119 HA PRO 119 -9.750 6.159 -10.135 928 HB2 PRO 119 1HB PRO 119 -11.715 4.956 -8.700 929 HB3 PRO 119 2HB PRO 119 -11.993 6.390 -9.695 930 HG2 PRO 119 1HG PRO 119 -12.545 3.515 -10.320 931 HG3 PRO 119 2HG PRO 119 -13.554 4.940 -10.628 932 HD2 PRO 119 1HD PRO 119 -12.047 3.778 -12.554 933 HD3 PRO 119 2HD PRO 119 -12.373 5.522 -12.520 934 H VAL 120 H VAL 120 -8.538 5.423 -8.448 935 HA VAL 120 HA VAL 120 -7.515 2.746 -8.608 936 HB VAL 120 HB VAL 120 -6.975 4.708 -6.387 937 HG11 VAL 120 1HG1 VAL 120 -6.026 2.660 -5.828 938 HG12 VAL 120 2HG1 VAL 120 -5.585 2.297 -7.498 939 HG13 VAL 120 3HG1 VAL 120 -4.695 3.525 -6.596 940 HG21 VAL 120 3HG2 VAL 120 -6.623 5.914 -8.441 941 HG22 VAL 120 1HG2 VAL 120 -5.056 5.488 -7.753 942 HG23 VAL 120 2HG2 VAL 120 -5.699 4.573 -9.117 943 H HIS 121 H HIS 121 -8.714 1.105 -7.888 944 HA HIS 121 HA HIS 121 -10.639 1.390 -5.787 945 HB2 HIS 121 1HB HIS 121 -9.585 -1.160 -7.024 946 HB3 HIS 121 2HB HIS 121 -11.083 -0.967 -6.117 947 HD1 HIS 121 1HD HIS 121 -11.265 -2.121 -8.898 948 HD2 HIS 121 2HD HIS 121 -11.499 1.954 -8.122 949 HE1 HIS 121 1HE HIS 121 -12.481 -1.131 -10.864 950 H PHE 122 H PHE 122 -8.949 2.259 -4.267 951 HA PHE 122 HA PHE 122 -6.944 0.610 -3.183 952 HB2 PHE 122 1HB PHE 122 -8.403 3.024 -2.124 953 HB3 PHE 122 2HB PHE 122 -7.163 2.203 -1.181 954 HD1 PHE 122 2HD PHE 122 -5.078 1.577 -3.003 955 HD2 PHE 122 1HD PHE 122 -7.595 5.009 -2.931 956 HE1 PHE 122 2HE PHE 122 -3.339 2.873 -4.163 957 HE2 PHE 122 1HE PHE 122 -5.860 6.310 -4.092 958 HZ PHE 122 HZ PHE 122 -3.727 5.243 -4.708 959 H LYS 123 H LYS 123 -7.009 -1.026 -1.784 960 HA LYS 123 HA LYS 123 -9.456 -1.427 -0.197 961 HB2 LYS 123 1HB LYS 123 -7.868 -3.694 -1.391 962 HB3 LYS 123 2HB LYS 123 -9.458 -3.762 -0.643 963 HG2 LYS 123 1HG LYS 123 -10.265 -2.295 -2.541 964 HG3 LYS 123 2HG LYS 123 -8.714 -2.622 -3.319 965 HD2 LYS 123 1HD LYS 123 -9.521 -4.543 -4.092 966 HD3 LYS 123 2HD LYS 123 -9.768 -5.099 -2.435 967 HE2 LYS 123 1HE LYS 123 -11.769 -3.256 -3.651 968 HE3 LYS 123 2HE LYS 123 -11.770 -4.950 -4.138 969 HZ1 LYS 123 3HZ LYS 123 -12.015 -3.943 -1.355 970 HZ2 LYS 123 1HZ LYS 123 -11.986 -5.573 -1.807 971 HZ3 LYS 123 2HZ LYS 123 -13.269 -4.584 -2.293 972 H PHE 124 H PHE 124 -9.141 -2.792 1.717 973 HA PHE 124 HA PHE 124 -6.398 -3.066 2.654 974 HB2 PHE 124 1HB PHE 124 -8.418 -1.581 4.334 975 HB3 PHE 124 2HB PHE 124 -6.697 -1.782 4.644 976 HD1 PHE 124 1HD PHE 124 -9.192 -0.057 2.570 977 HD2 PHE 124 2HD PHE 124 -5.080 -0.365 3.622 978 HE1 PHE 124 1HE PHE 124 -8.742 2.071 1.419 979 HE2 PHE 124 2HE PHE 124 -4.623 1.763 2.474 980 HZ PHE 124 HZ PHE 124 -6.456 2.984 1.371 981 H ARG 125 H ARG 125 -6.182 -4.446 4.492 982 HA ARG 125 HA ARG 125 -8.327 -5.671 5.825 983 HB2 ARG 125 1HB ARG 125 -8.234 -7.921 4.789 984 HB3 ARG 125 2HB ARG 125 -8.868 -6.692 3.703 985 HG2 ARG 125 1HG ARG 125 -7.457 -7.753 2.279 986 HG3 ARG 125 2HG ARG 125 -6.337 -6.566 2.950 987 HD2 ARG 125 1HD ARG 125 -5.263 -8.130 4.269 988 HD3 ARG 125 2HD ARG 125 -6.646 -9.224 4.274 989 HE ARG 125 HE ARG 125 -5.780 -9.112 1.661 990 HH11 ARG 125 1HH1 ARG 125 -4.442 -10.036 4.739 991 HH12 ARG 125 2HH1 ARG 125 -3.368 -11.217 4.064 992 HH21 ARG 125 1HH2 ARG 125 -4.371 -10.663 0.761 993 HH22 ARG 125 2HH2 ARG 125 -3.327 -11.571 1.801 994 H ASP 126 H ASP 126 -7.642 -7.174 7.386 995 HA ASP 126 HA ASP 126 -4.880 -6.914 8.126 996 HB2 ASP 126 1HB ASP 126 -5.480 -8.004 10.158 997 HB3 ASP 126 2HB ASP 126 -6.831 -6.953 9.740 998 H ARG 127 H ARG 127 -4.193 -9.287 9.257 999 HA ARG 127 HA ARG 127 -4.151 -11.171 6.992 1000 HB2 ARG 127 1HB ARG 127 -1.828 -11.773 7.741 1001 HB3 ARG 127 2HB ARG 127 -1.991 -10.159 7.063 1002 HG2 ARG 127 1HG ARG 127 -0.663 -9.782 8.903 1003 HG3 ARG 127 2HG ARG 127 -2.272 -9.424 9.533 1004 HD2 ARG 127 1HD ARG 127 -1.854 -12.190 9.879 1005 HD3 ARG 127 2HD ARG 127 -0.380 -11.383 10.411 1006 HE ARG 127 HE ARG 127 -2.748 -10.161 11.452 1007 HH11 ARG 127 1HH1 ARG 127 -0.481 -12.766 11.890 1008 HH12 ARG 127 2HH1 ARG 127 -0.778 -12.913 13.591 1009 HH21 ARG 127 1HH2 ARG 127 -3.149 -10.345 13.691 1010 HH22 ARG 127 2HH2 ARG 127 -2.297 -11.536 14.614 1011 H LEU 128 H LEU 128 -4.169 -13.367 7.479 1012 HA LEU 128 HA LEU 128 -4.681 -15.252 8.643 1013 HB2 LEU 128 1HB LEU 128 -2.818 -13.914 10.189 1014 HB3 LEU 128 2HB LEU 128 -4.124 -14.266 11.319 1015 HG LEU 128 HG LEU 128 -3.940 -16.681 10.553 1016 HD11 LEU 128 1HD1 LEU 128 -2.737 -16.491 8.530 1017 HD12 LEU 128 2HD1 LEU 128 -1.640 -17.251 9.684 1018 HD13 LEU 128 3HD1 LEU 128 -1.460 -15.541 9.291 1019 HD21 LEU 128 3HD2 LEU 128 -2.558 -15.215 12.490 1020 HD22 LEU 128 1HD2 LEU 128 -1.358 -16.278 11.756 1021 HD23 LEU 128 2HD2 LEU 128 -2.827 -16.959 12.455 1022 H LEU 129 H LEU 129 -6.280 -16.164 10.071 1023 HA LEU 129 HA LEU 129 -8.427 -16.269 10.827 1024 HB2 LEU 129 1HB LEU 129 -7.032 -14.934 12.624 1025 HB3 LEU 129 2HB LEU 129 -8.097 -13.617 12.139 1026 HG LEU 129 HG LEU 129 -9.885 -15.622 12.609 1027 HD11 LEU 129 1HD1 LEU 129 -7.453 -16.108 14.248 1028 HD12 LEU 129 2HD1 LEU 129 -8.614 -17.253 13.576 1029 HD13 LEU 129 3HD1 LEU 129 -9.033 -16.308 15.005 1030 HD21 LEU 129 3HD2 LEU 129 -9.953 -13.264 13.369 1031 HD22 LEU 129 1HD2 LEU 129 -8.834 -13.683 14.666 1032 HD23 LEU 129 2HD2 LEU 129 -10.439 -14.414 14.616 1033 H SER 130 H SER 130 -7.978 -14.914 8.280 1034 HA SER 130 HA SER 130 -10.547 -13.541 8.127 1035 HB2 SER 130 1HB SER 130 -9.337 -11.833 6.557 1036 HB3 SER 130 2HB SER 130 -9.272 -11.600 8.304 1037 HG SER 130 HG SER 130 -7.267 -12.310 6.525 1038 H LEU 131 H LEU 131 -11.675 -14.280 6.457 1039 HA LEU 131 HA LEU 131 -10.479 -14.859 3.920 1040 HB2 LEU 131 1HB LEU 131 -11.540 -17.268 4.072 1041 HB3 LEU 131 2HB LEU 131 -9.882 -16.949 4.578 1042 HG LEU 131 HG LEU 131 -11.900 -16.698 6.704 1043 HD11 LEU 131 1HD1 LEU 131 -12.634 -18.833 6.822 1044 HD12 LEU 131 2HD1 LEU 131 -11.178 -19.494 6.078 1045 HD13 LEU 131 3HD1 LEU 131 -12.422 -18.752 5.073 1046 HD21 LEU 131 3HD2 LEU 131 -9.579 -18.504 6.910 1047 HD22 LEU 131 1HD2 LEU 131 -10.164 -17.268 8.025 1048 HD23 LEU 131 2HD2 LEU 131 -9.210 -16.804 6.616 1049 H ASP 132 H ASP 132 -12.664 -13.289 5.194 1050 HA ASP 132 HA ASP 132 -14.930 -14.341 3.630 1051 HB2 ASP 132 1HB ASP 132 -14.762 -13.275 6.329 1052 HB3 ASP 132 2HB ASP 132 -15.945 -12.403 5.358 1053 H GLU 133 H GLU 133 -14.186 -11.138 4.982 1054 HA GLU 133 HA GLU 133 -14.026 -10.022 2.291 1055 HB2 GLU 133 1HB GLU 133 -16.211 -9.505 4.241 1056 HB3 GLU 133 2HB GLU 133 -15.598 -8.130 3.334 1057 HG2 GLU 133 1HG GLU 133 -15.934 -9.985 1.368 1058 HG3 GLU 133 2HG GLU 133 -17.260 -10.369 2.465 1059 HA PRO 134 HA PRO 134 -11.027 -7.321 4.005 1060 HB2 PRO 134 1HB PRO 134 -11.474 -5.008 2.655 1061 HB3 PRO 134 2HB PRO 134 -10.755 -6.437 1.902 1062 HG2 PRO 134 1HG PRO 134 -13.585 -5.464 1.803 1063 HG3 PRO 134 2HG PRO 134 -12.577 -6.110 0.494 1064 HD2 PRO 134 1HD PRO 134 -14.446 -7.601 1.764 1065 HD3 PRO 134 2HD PRO 134 -12.946 -8.298 1.119 1066 H ILE 135 H ILE 135 -10.720 -5.109 5.020 1067 HA ILE 135 HA ILE 135 -12.908 -4.658 6.889 1068 HB ILE 135 HB ILE 135 -10.107 -3.529 6.857 1069 HG12 ILE 135 1HG1 ILE 135 -11.343 -5.684 8.585 1070 HG13 ILE 135 2HG1 ILE 135 -10.224 -5.968 7.257 1071 HG21 ILE 135 1HG2 ILE 135 -12.445 -2.744 8.313 1072 HG22 ILE 135 2HG2 ILE 135 -11.235 -3.383 9.424 1073 HG23 ILE 135 3HG2 ILE 135 -10.825 -2.049 8.347 1074 HD11 ILE 135 3HD1 ILE 135 -9.123 -4.075 9.116 1075 HD12 ILE 135 1HD1 ILE 135 -9.605 -5.559 9.938 1076 HD13 ILE 135 2HD1 ILE 135 -8.484 -5.628 8.578 1077 H ALA 136 H ALA 136 -11.150 -2.992 4.348 1078 HA ALA 136 HA ALA 136 -13.278 -1.034 4.154 1079 HB1 ALA 136 1HB ALA 136 -11.438 0.811 4.078 1080 HB2 ALA 136 2HB ALA 136 -12.077 0.266 5.630 1081 HB3 ALA 136 3HB ALA 136 -10.520 -0.333 5.057 1082 H SER 137 H SER 137 -13.087 0.305 2.210 1083 HA SER 137 HA SER 137 -11.137 -0.037 0.240 1084 HB2 SER 137 1HB SER 137 -13.023 -1.404 -1.227 1085 HB3 SER 137 2HB SER 137 -11.599 -2.126 -0.479 1086 HG SER 137 HG SER 137 -13.282 -3.298 0.273 1087 H GLU 138 H GLU 138 -11.504 1.269 -1.534 1088 HA GLU 138 HA GLU 138 -14.036 2.247 -2.311 1089 HB2 GLU 138 1HB GLU 138 -13.999 3.483 -0.241 1090 HB3 GLU 138 2HB GLU 138 -12.373 4.065 -0.565 1091 HG2 GLU 138 1HG GLU 138 -13.174 5.381 -2.425 1092 HG3 GLU 138 2HG GLU 138 -14.801 4.739 -2.209 1093 H GLU 139 H GLU 139 -13.925 3.242 -4.269 1094 HA GLU 139 HA GLU 139 -11.370 3.228 -5.597 1095 HB2 GLU 139 1HB GLU 139 -13.934 4.279 -6.768 1096 HB3 GLU 139 2HB GLU 139 -12.565 3.558 -7.603 1097 HG2 GLU 139 1HG GLU 139 -13.946 1.783 -7.681 1098 HG3 GLU 139 2HG GLU 139 -13.258 1.481 -6.086 1099 H ILE 140 H ILE 140 -10.072 4.907 -5.995 1100 HA ILE 140 HA ILE 140 -11.115 7.627 -5.876 1101 HB ILE 140 HB ILE 140 -8.716 6.829 -4.230 1102 HG12 ILE 140 1HG1 ILE 140 -11.544 7.441 -3.344 1103 HG13 ILE 140 2HG1 ILE 140 -10.742 5.877 -3.247 1104 HG21 ILE 140 1HG2 ILE 140 -10.275 9.406 -4.387 1105 HG22 ILE 140 2HG2 ILE 140 -8.912 9.088 -3.315 1106 HG23 ILE 140 3HG2 ILE 140 -8.671 9.120 -5.062 1107 HD11 ILE 140 3HD1 ILE 140 -10.379 8.306 -1.581 1108 HD12 ILE 140 1HD1 ILE 140 -10.493 6.612 -1.106 1109 HD13 ILE 140 2HD1 ILE 140 -9.003 7.230 -1.820 1110 H THR 141 H THR 141 -10.291 8.813 -7.467 1111 HA THR 141 HA THR 141 -8.021 7.763 -8.973 1112 HB THR 141 HB THR 141 -9.483 10.232 -9.808 1113 HG1 THR 141 1HG THR 141 -11.058 8.799 -10.804 1114 HG21 THR 141 3HG2 THR 141 -7.846 8.109 -11.025 1115 HG22 THR 141 1HG2 THR 141 -8.018 9.806 -11.473 1116 HG23 THR 141 2HG2 THR 141 -9.231 8.631 -11.983 1117 H ILE 142 H ILE 142 -6.076 8.396 -8.304 1118 HA ILE 142 HA ILE 142 -5.722 11.014 -7.076 1119 HB ILE 142 HB ILE 142 -3.758 8.750 -7.455 1120 HG12 ILE 142 1HG1 ILE 142 -5.202 9.717 -4.976 1121 HG13 ILE 142 2HG1 ILE 142 -5.609 8.265 -5.884 1122 HG21 ILE 142 1HG2 ILE 142 -3.325 11.496 -6.843 1123 HG22 ILE 142 2HG2 ILE 142 -2.960 10.535 -5.411 1124 HG23 ILE 142 3HG2 ILE 142 -2.149 10.186 -6.937 1125 HD11 ILE 142 3HD1 ILE 142 -3.497 7.267 -5.320 1126 HD12 ILE 142 1HD1 ILE 142 -2.970 8.750 -4.526 1127 HD13 ILE 142 2HD1 ILE 142 -4.302 7.813 -3.849 1128 H THR 143 H THR 143 -6.140 12.182 -9.073 1129 HA THR 143 HA THR 143 -5.581 13.121 -11.100 1130 HB THR 143 HB THR 143 -2.883 13.672 -10.828 1131 HG1 THR 143 1HG THR 143 -4.020 13.802 -8.228 1132 HG21 THR 143 3HG2 THR 143 -5.397 15.076 -10.009 1133 HG22 THR 143 1HG2 THR 143 -4.295 15.442 -11.335 1134 HG23 THR 143 2HG2 THR 143 -3.827 15.805 -9.674 Start of MODEL 11 1 H1 MET 1 H MET 1 -23.687 -15.672 18.498 2 HA MET 1 HA MET 1 -22.353 -15.259 16.640 3 HB2 MET 1 1HB MET 1 -21.878 -13.176 18.732 4 HB3 MET 1 2HB MET 1 -20.982 -13.086 17.222 5 HG2 MET 1 1HG MET 1 -22.720 -11.919 16.472 6 HG3 MET 1 2HG MET 1 -23.529 -13.479 16.339 7 HE1 MET 1 3HE MET 1 -26.037 -11.437 16.771 8 HE2 MET 1 1HE MET 1 -25.660 -13.132 16.462 9 HE3 MET 1 2HE MET 1 -26.627 -12.686 17.868 10 H ASP 2 H ASP 2 -20.158 -14.584 19.371 11 HA ASP 2 HA ASP 2 -18.018 -15.226 19.797 12 HB2 ASP 2 1HB ASP 2 -19.280 -17.522 19.309 13 HB3 ASP 2 2HB ASP 2 -18.180 -17.544 17.934 14 H GLU 3 H GLU 3 -18.116 -13.247 18.038 15 HA GLU 3 HA GLU 3 -15.704 -13.461 16.613 16 HB2 GLU 3 1HB GLU 3 -17.617 -14.734 15.213 17 HB3 GLU 3 2HB GLU 3 -17.870 -13.098 14.621 18 HG2 GLU 3 1HG GLU 3 -15.125 -13.440 14.509 19 HG3 GLU 3 2HG GLU 3 -15.782 -14.992 13.992 20 H VAL 4 H VAL 4 -14.903 -11.471 16.547 21 HA VAL 4 HA VAL 4 -16.332 -9.212 17.377 22 HB VAL 4 HB VAL 4 -14.368 -7.911 16.459 23 HG11 VAL 4 1HG1 VAL 4 -14.551 -8.890 18.775 24 HG12 VAL 4 2HG1 VAL 4 -13.560 -10.232 18.197 25 HG13 VAL 4 3HG1 VAL 4 -12.911 -8.592 18.200 26 HG21 VAL 4 3HG2 VAL 4 -13.981 -9.866 14.736 27 HG22 VAL 4 1HG2 VAL 4 -12.630 -8.917 15.357 28 HG23 VAL 4 2HG2 VAL 4 -12.975 -10.509 16.034 29 H LEU 5 H LEU 5 -16.852 -7.274 16.202 30 HA LEU 5 HA LEU 5 -18.398 -7.705 13.919 31 HB2 LEU 5 1HB LEU 5 -17.216 -5.173 15.041 32 HB3 LEU 5 2HB LEU 5 -18.371 -5.205 13.710 33 HG LEU 5 HG LEU 5 -19.091 -6.485 16.312 34 HD11 LEU 5 1HD1 LEU 5 -18.243 -4.289 16.936 35 HD12 LEU 5 2HD1 LEU 5 -19.997 -4.358 17.103 36 HD13 LEU 5 3HD1 LEU 5 -19.276 -3.534 15.722 37 HD21 LEU 5 3HD2 LEU 5 -21.341 -5.660 15.594 38 HD22 LEU 5 1HD2 LEU 5 -20.609 -6.840 14.506 39 HD23 LEU 5 2HD2 LEU 5 -20.599 -5.127 14.084 40 H ALA 6 H ALA 6 -17.983 -6.057 11.945 41 HA ALA 6 HA ALA 6 -16.066 -7.202 10.326 42 HB1 ALA 6 1HB ALA 6 -17.251 -6.013 8.874 43 HB2 ALA 6 2HB ALA 6 -17.883 -4.982 10.159 44 HB3 ALA 6 3HB ALA 6 -16.351 -4.583 9.382 45 H THR 7 H THR 7 -15.745 -4.550 12.583 46 HA THR 7 HA THR 7 -12.876 -4.749 12.486 47 HB THR 7 HB THR 7 -12.807 -2.120 12.166 48 HG1 THR 7 1HG THR 7 -14.994 -2.870 10.500 49 HG21 THR 7 3HG2 THR 7 -12.028 -2.459 9.975 50 HG22 THR 7 1HG2 THR 7 -13.121 -3.815 9.703 51 HG23 THR 7 2HG2 THR 7 -11.742 -3.998 10.787 52 H SER 8 H SER 8 -13.833 -5.398 14.665 53 HA SER 8 HA SER 8 -14.373 -3.079 16.373 54 HB2 SER 8 1HB SER 8 -15.547 -5.577 16.279 55 HB3 SER 8 2HB SER 8 -14.453 -5.709 17.656 56 HG SER 8 HG SER 8 -16.503 -4.894 18.264 57 H ILE 9 H ILE 9 -11.711 -3.715 15.312 58 HA ILE 9 HA ILE 9 -10.309 -3.891 17.887 59 HB ILE 9 HB ILE 9 -9.457 -5.316 15.363 60 HG12 ILE 9 1HG1 ILE 9 -11.247 -6.488 16.537 61 HG13 ILE 9 2HG1 ILE 9 -9.730 -7.360 16.723 62 HG21 ILE 9 1HG2 ILE 9 -7.401 -4.944 16.184 63 HG22 ILE 9 2HG2 ILE 9 -8.009 -4.517 17.782 64 HG23 ILE 9 3HG2 ILE 9 -7.817 -6.212 17.337 65 HD11 ILE 9 3HD1 ILE 9 -11.492 -6.383 18.725 66 HD12 ILE 9 1HD1 ILE 9 -10.022 -7.339 18.909 67 HD13 ILE 9 2HD1 ILE 9 -9.933 -5.578 18.895 68 H GLY 10 H GLY 10 -9.260 -3.582 14.496 69 HA2 GLY 10 1HA GLY 10 -7.627 -1.288 15.246 70 HA3 GLY 10 2HA GLY 10 -7.587 -2.138 13.708 71 H THR 11 H THR 11 -7.520 0.117 12.896 72 HA THR 11 HA THR 11 -10.091 0.880 11.938 73 HB THR 11 HB THR 11 -9.465 3.346 12.971 74 HG1 THR 11 1HG THR 11 -7.978 1.984 14.392 75 HG21 THR 11 3HG2 THR 11 -11.263 1.468 14.465 76 HG22 THR 11 1HG2 THR 11 -11.665 1.989 12.829 77 HG23 THR 11 2HG2 THR 11 -11.489 3.182 14.117 78 H TYR 12 H TYR 12 -9.984 2.375 10.239 79 HA TYR 12 HA TYR 12 -7.292 3.282 9.481 80 HB2 TYR 12 1HB TYR 12 -7.643 1.336 8.141 81 HB3 TYR 12 2HB TYR 12 -9.288 1.824 7.747 82 HD1 TYR 12 2HD TYR 12 -5.771 3.031 7.376 83 HD2 TYR 12 1HD TYR 12 -9.681 2.840 5.707 84 HE1 TYR 12 2HE TYR 12 -4.949 4.136 5.338 85 HE2 TYR 12 1HE TYR 12 -8.869 3.943 3.664 86 HH TYR 12 HH TYR 12 -6.595 5.663 3.281 87 H GLU 13 H GLU 13 -7.413 5.429 9.568 88 HA GLU 13 HA GLU 13 -9.014 6.906 7.786 89 HB2 GLU 13 1HB GLU 13 -10.504 8.054 9.327 90 HB3 GLU 13 2HB GLU 13 -10.807 6.323 9.370 91 HG2 GLU 13 1HG GLU 13 -9.420 6.184 11.420 92 HG3 GLU 13 2HG GLU 13 -9.288 7.942 11.400 93 H ASN 14 H ASN 14 -8.884 9.324 8.298 94 HA ASN 14 HA ASN 14 -7.544 11.144 8.559 95 HB2 ASN 14 1HB ASN 14 -6.443 9.820 11.032 96 HB3 ASN 14 2HB ASN 14 -6.684 11.538 10.726 97 HD21 ASN 14 1HD2 ASN 14 -7.637 9.726 12.877 98 HD22 ASN 14 2HD2 ASN 14 -9.351 9.939 12.914 99 H ARG 15 H ARG 15 -6.521 8.990 6.970 100 HA ARG 15 HA ARG 15 -4.619 8.359 5.896 101 HB2 ARG 15 1HB ARG 15 -3.899 10.993 7.084 102 HB3 ARG 15 2HB ARG 15 -2.598 10.010 6.427 103 HG2 ARG 15 1HG ARG 15 -3.587 11.694 4.856 104 HG3 ARG 15 2HG ARG 15 -3.549 10.032 4.262 105 HD2 ARG 15 1HD ARG 15 -5.682 11.138 3.765 106 HD3 ARG 15 2HD ARG 15 -5.890 9.748 4.830 107 HE ARG 15 HE ARG 15 -5.645 11.918 6.497 108 HH11 ARG 15 1HH1 ARG 15 -7.773 10.962 3.913 109 HH12 ARG 15 2HH1 ARG 15 -9.139 11.819 4.545 110 HH21 ARG 15 1HH2 ARG 15 -7.437 13.051 7.340 111 HH22 ARG 15 2HH2 ARG 15 -8.947 13.008 6.494 112 H THR 16 H THR 16 -5.057 6.803 7.979 113 HA THR 16 HA THR 16 -2.422 6.001 8.783 114 HB THR 16 HB THR 16 -4.349 6.959 10.907 115 HG1 THR 16 1HG THR 16 -2.597 8.363 11.403 116 HG21 THR 16 3HG2 THR 16 -3.387 4.958 11.744 117 HG22 THR 16 1HG2 THR 16 -2.468 6.280 12.461 118 HG23 THR 16 2HG2 THR 16 -1.796 5.372 11.107 119 H LEU 17 H LEU 17 -2.333 3.861 9.389 120 HA LEU 17 HA LEU 17 -4.897 2.427 9.569 121 HB2 LEU 17 1HB LEU 17 -4.024 2.066 7.358 122 HB3 LEU 17 2HB LEU 17 -2.442 1.643 8.008 123 HG LEU 17 HG LEU 17 -3.760 -0.299 9.164 124 HD11 LEU 17 1HD1 LEU 17 -5.974 0.038 8.698 125 HD12 LEU 17 2HD1 LEU 17 -5.528 -1.024 7.363 126 HD13 LEU 17 3HD1 LEU 17 -5.652 0.715 7.102 127 HD21 LEU 17 3HD2 LEU 17 -2.199 -1.117 7.751 128 HD22 LEU 17 1HD2 LEU 17 -2.643 -0.014 6.448 129 HD23 LEU 17 2HD2 LEU 17 -3.608 -1.460 6.746 130 H LEU 18 H LEU 18 -4.885 2.033 11.730 131 HA LEU 18 HA LEU 18 -2.491 1.006 13.017 132 HB2 LEU 18 1HB LEU 18 -4.496 2.610 13.891 133 HB3 LEU 18 2HB LEU 18 -5.019 1.048 14.518 134 HG LEU 18 HG LEU 18 -2.438 2.482 15.129 135 HD11 LEU 18 1HD1 LEU 18 -3.387 2.289 17.469 136 HD12 LEU 18 2HD1 LEU 18 -4.919 1.865 16.707 137 HD13 LEU 18 3HD1 LEU 18 -4.182 3.436 16.391 138 HD21 LEU 18 3HD2 LEU 18 -3.326 -0.325 15.640 139 HD22 LEU 18 1HD2 LEU 18 -2.288 0.498 16.805 140 HD23 LEU 18 2HD2 LEU 18 -1.746 0.280 15.140 141 H VAL 19 H VAL 19 -2.132 -1.066 13.562 142 HA VAL 19 HA VAL 19 -4.266 -2.993 13.741 143 HB VAL 19 HB VAL 19 -2.942 -4.499 12.041 144 HG11 VAL 19 1HG1 VAL 19 -4.561 -2.504 10.594 145 HG12 VAL 19 2HG1 VAL 19 -4.724 -4.260 10.676 146 HG13 VAL 19 3HG1 VAL 19 -5.329 -3.254 11.993 147 HG21 VAL 19 3HG2 VAL 19 -2.459 -1.790 10.821 148 HG22 VAL 19 1HG2 VAL 19 -1.220 -2.682 11.705 149 HG23 VAL 19 2HG2 VAL 19 -1.916 -3.361 10.233 150 HA PRO 20 HA PRO 20 -1.473 -5.000 16.467 151 HB2 PRO 20 1HB PRO 20 -2.135 -7.611 16.134 152 HB3 PRO 20 2HB PRO 20 -3.176 -6.456 16.974 153 HG2 PRO 20 1HG PRO 20 -3.340 -7.452 14.156 154 HG3 PRO 20 2HG PRO 20 -4.644 -7.204 15.332 155 HD2 PRO 20 1HD PRO 20 -4.108 -5.431 13.357 156 HD3 PRO 20 2HD PRO 20 -4.735 -4.934 14.942 157 H ASP 21 H ASP 21 -1.294 -5.499 13.115 158 HA ASP 21 HA ASP 21 1.053 -7.229 13.285 159 HB2 ASP 21 1HB ASP 21 -0.771 -6.361 11.080 160 HB3 ASP 21 2HB ASP 21 0.859 -6.891 10.675 161 H GLY 22 H GLY 22 0.122 -3.994 12.185 162 HA2 GLY 22 1HA GLY 22 2.847 -3.083 12.617 163 HA3 GLY 22 2HA GLY 22 2.283 -2.999 10.955 164 H ARG 23 H ARG 23 2.637 -0.694 11.143 165 HA ARG 23 HA ARG 23 0.223 0.672 11.906 166 HB2 ARG 23 1HB ARG 23 2.185 0.501 13.851 167 HB3 ARG 23 2HB ARG 23 2.479 2.072 13.117 168 HG2 ARG 23 1HG ARG 23 -0.300 1.878 13.499 169 HG3 ARG 23 2HG ARG 23 0.461 1.299 14.983 170 HD2 ARG 23 1HD ARG 23 0.326 3.564 15.385 171 HD3 ARG 23 2HD ARG 23 1.951 3.419 14.715 172 HE ARG 23 HE ARG 23 0.322 3.916 12.564 173 HH11 ARG 23 1HH1 ARG 23 1.066 5.516 15.565 174 HH12 ARG 23 2HH1 ARG 23 0.796 7.107 14.935 175 HH21 ARG 23 1HH2 ARG 23 -0.037 6.006 11.722 176 HH22 ARG 23 2HH2 ARG 23 0.168 7.384 12.749 177 H LEU 24 H LEU 24 -0.027 1.496 9.895 178 HA LEU 24 HA LEU 24 2.219 2.838 8.599 179 HB2 LEU 24 1HB LEU 24 -0.543 2.106 7.652 180 HB3 LEU 24 2HB LEU 24 0.594 3.047 6.689 181 HG LEU 24 HG LEU 24 2.013 0.764 7.409 182 HD11 LEU 24 1HD1 LEU 24 0.698 -1.063 7.337 183 HD12 LEU 24 2HD1 LEU 24 -0.434 -0.338 6.196 184 HD13 LEU 24 3HD1 LEU 24 -0.536 0.059 7.911 185 HD21 LEU 24 3HD2 LEU 24 2.409 1.571 5.302 186 HD22 LEU 24 1HD2 LEU 24 0.697 1.810 4.950 187 HD23 LEU 24 2HD2 LEU 24 1.384 0.185 4.924 188 H ALA 25 H ALA 25 1.418 4.871 7.275 189 HA ALA 25 HA ALA 25 -0.558 6.540 8.405 190 HB1 ALA 25 1HB ALA 25 0.680 8.076 9.690 191 HB2 ALA 25 2HB ALA 25 1.179 6.481 10.253 192 HB3 ALA 25 3HB ALA 25 2.221 7.396 9.165 193 H LEU 26 H LEU 26 -1.126 7.244 6.423 194 HA LEU 26 HA LEU 26 0.645 7.824 4.318 195 HB2 LEU 26 1HB LEU 26 -2.175 8.750 4.831 196 HB3 LEU 26 2HB LEU 26 -1.306 9.021 3.322 197 HG LEU 26 HG LEU 26 -1.286 6.223 4.011 198 HD11 LEU 26 1HD1 LEU 26 -4.023 7.426 3.649 199 HD12 LEU 26 2HD1 LEU 26 -3.382 6.873 5.196 200 HD13 LEU 26 3HD1 LEU 26 -3.617 5.725 3.878 201 HD21 LEU 26 3HD2 LEU 26 -1.988 7.983 1.732 202 HD22 LEU 26 1HD2 LEU 26 -2.664 6.354 1.740 203 HD23 LEU 26 2HD2 LEU 26 -0.916 6.583 1.799 204 H THR 27 H THR 27 2.149 9.354 4.361 205 HA THR 27 HA THR 27 1.901 11.706 5.993 206 HB THR 27 HB THR 27 4.096 12.335 5.100 207 HG1 THR 27 1HG THR 27 4.921 11.385 3.363 208 HG21 THR 27 3HG2 THR 27 4.643 10.993 6.825 209 HG22 THR 27 1HG2 THR 27 5.124 9.855 5.567 210 HG23 THR 27 2HG2 THR 27 3.533 9.721 6.316 211 H ALA 28 H ALA 28 2.239 11.169 2.482 212 HA ALA 28 HA ALA 28 0.273 13.015 1.736 213 HB1 ALA 28 1HB ALA 28 2.797 14.307 0.979 214 HB2 ALA 28 2HB ALA 28 1.270 15.014 1.510 215 HB3 ALA 28 3HB ALA 28 2.410 14.383 2.698 216 H LEU 29 H LEU 29 -0.250 11.514 0.194 217 HA LEU 29 HA LEU 29 1.501 10.166 -1.500 218 HB2 LEU 29 1HB LEU 29 -1.300 11.020 -2.201 219 HB3 LEU 29 2HB LEU 29 -0.405 9.650 -2.855 220 HG LEU 29 HG LEU 29 -0.976 9.721 0.070 221 HD11 LEU 29 1HD1 LEU 29 -3.137 10.231 -0.693 222 HD12 LEU 29 2HD1 LEU 29 -3.124 8.480 -0.486 223 HD13 LEU 29 3HD1 LEU 29 -2.982 9.179 -2.099 224 HD21 LEU 29 3HD2 LEU 29 -1.204 7.260 -0.383 225 HD22 LEU 29 1HD2 LEU 29 0.396 7.937 -0.691 226 HD23 LEU 29 2HD2 LEU 29 -0.689 7.589 -2.038 227 H HIS 30 H HIS 30 2.369 10.579 -3.485 228 HA HIS 30 HA HIS 30 1.810 13.185 -4.718 229 HB2 HIS 30 1HB HIS 30 4.583 12.056 -4.282 230 HB3 HIS 30 2HB HIS 30 4.196 13.562 -5.108 231 HD1 HIS 30 1HD HIS 30 2.390 14.990 -3.233 232 HD2 HIS 30 2HD HIS 30 5.627 12.754 -1.896 233 HE1 HIS 30 1HE HIS 30 2.937 15.896 -0.952 234 H LYS 31 H LYS 31 1.998 13.260 -6.948 235 HA LYS 31 HA LYS 31 2.130 10.634 -8.251 236 HB2 LYS 31 1HB LYS 31 0.606 13.104 -8.713 237 HB3 LYS 31 2HB LYS 31 1.251 12.372 -10.176 238 HG2 LYS 31 1HG LYS 31 0.213 10.197 -9.336 239 HG3 LYS 31 2HG LYS 31 -0.676 11.210 -8.196 240 HD2 LYS 31 1HD LYS 31 -2.091 10.921 -10.073 241 HD3 LYS 31 2HD LYS 31 -1.446 12.560 -10.190 242 HE2 LYS 31 1HE LYS 31 0.232 11.778 -11.792 243 HE3 LYS 31 2HE LYS 31 -0.412 10.142 -11.671 244 HZ1 LYS 31 3HZ LYS 31 -1.261 11.254 -13.625 245 HZ2 LYS 31 1HZ LYS 31 -1.876 12.519 -12.684 246 HZ3 LYS 31 2HZ LYS 31 -2.524 10.963 -12.538 247 H GLY 32 H GLY 32 3.521 10.201 -9.922 248 HA2 GLY 32 1HA GLY 32 5.405 12.346 -10.670 249 HA3 GLY 32 2HA GLY 32 5.988 10.753 -10.209 250 H LYS 33 H LYS 33 7.005 10.531 -12.244 251 HA LYS 33 HA LYS 33 5.124 9.887 -14.417 252 HB2 LYS 33 1HB LYS 33 7.791 11.289 -14.602 253 HB3 LYS 33 2HB LYS 33 6.970 10.598 -15.995 254 HG2 LYS 33 1HG LYS 33 5.665 12.633 -14.217 255 HG3 LYS 33 2HG LYS 33 6.674 13.083 -15.593 256 HD2 LYS 33 1HD LYS 33 5.201 12.066 -17.132 257 HD3 LYS 33 2HD LYS 33 4.344 11.198 -15.856 258 HE2 LYS 33 1HE LYS 33 2.862 12.893 -16.214 259 HE3 LYS 33 2HE LYS 33 3.883 13.659 -14.997 260 HZ1 LYS 33 3HZ LYS 33 4.778 15.073 -16.504 261 HZ2 LYS 33 1HZ LYS 33 3.289 14.833 -17.269 262 HZ3 LYS 33 2HZ LYS 33 4.655 13.986 -17.794 263 H ASP 34 H ASP 34 5.917 8.285 -15.951 264 HA ASP 34 HA ASP 34 8.017 6.537 -14.867 265 HB2 ASP 34 1HB ASP 34 6.707 4.580 -15.148 266 HB3 ASP 34 2HB ASP 34 5.669 5.731 -14.311 267 H TYR 35 H TYR 35 7.631 4.524 -16.861 268 HA TYR 35 HA TYR 35 9.324 5.408 -18.866 269 HB2 TYR 35 1HB TYR 35 8.412 3.392 -20.161 270 HB3 TYR 35 2HB TYR 35 9.140 3.076 -18.590 271 HD1 TYR 35 1HD TYR 35 5.927 3.377 -20.392 272 HD2 TYR 35 2HD TYR 35 7.869 2.138 -16.815 273 HE1 TYR 35 1HE TYR 35 3.868 2.236 -19.677 274 HE2 TYR 35 2HE TYR 35 5.816 0.993 -16.090 275 HH TYR 35 HH TYR 35 3.610 0.739 -16.492 276 H GLN 36 H GLN 36 5.810 5.430 -18.729 277 HA GLN 36 HA GLN 36 5.683 6.589 -21.415 278 HB2 GLN 36 1HB GLN 36 3.695 5.271 -19.610 279 HB3 GLN 36 2HB GLN 36 3.122 6.384 -20.845 280 HG2 GLN 36 1HG GLN 36 4.927 4.690 -22.141 281 HG3 GLN 36 2HG GLN 36 3.961 3.652 -21.094 282 HE21 GLN 36 1HE2 GLN 36 1.535 4.347 -21.147 283 HE22 GLN 36 2HE2 GLN 36 0.876 4.527 -22.734 284 H GLY 37 H GLY 37 6.593 7.951 -18.864 285 HA2 GLY 37 1HA GLY 37 6.127 9.881 -17.642 286 HA3 GLY 37 2HA GLY 37 6.013 10.517 -19.276 287 H LYS 38 H LYS 38 3.854 8.368 -17.443 288 HA LYS 38 HA LYS 38 1.862 10.408 -17.114 289 HB2 LYS 38 1HB LYS 38 1.781 8.633 -19.437 290 HB3 LYS 38 2HB LYS 38 0.312 8.567 -18.471 291 HG2 LYS 38 1HG LYS 38 -0.221 10.768 -18.882 292 HG3 LYS 38 2HG LYS 38 1.449 11.216 -19.237 293 HD2 LYS 38 1HD LYS 38 -0.240 9.428 -20.983 294 HD3 LYS 38 2HD LYS 38 -0.037 11.163 -21.238 295 HE2 LYS 38 1HE LYS 38 2.496 10.616 -21.204 296 HE3 LYS 38 2HE LYS 38 1.973 8.960 -21.505 297 HZ1 LYS 38 3HZ LYS 38 1.966 9.541 -23.639 298 HZ2 LYS 38 1HZ LYS 38 2.065 11.194 -23.295 299 HZ3 LYS 38 2HZ LYS 38 0.560 10.422 -23.309 300 HA PRO 39 HA PRO 39 0.107 6.319 -15.305 301 HB2 PRO 39 1HB PRO 39 1.317 3.986 -15.984 302 HB3 PRO 39 2HB PRO 39 0.007 4.701 -16.932 303 HG2 PRO 39 1HG PRO 39 2.962 4.805 -17.402 304 HG3 PRO 39 2HG PRO 39 1.653 4.541 -18.568 305 HD2 PRO 39 1HD PRO 39 2.873 6.940 -18.265 306 HD3 PRO 39 2HD PRO 39 1.162 6.789 -18.716 307 H MET 40 H MET 40 1.236 7.418 -13.550 308 HA MET 40 HA MET 40 3.078 5.630 -12.219 309 HB2 MET 40 1HB MET 40 4.521 7.141 -13.610 310 HB3 MET 40 2HB MET 40 3.897 8.500 -12.685 311 HG2 MET 40 1HG MET 40 6.040 7.863 -11.822 312 HG3 MET 40 2HG MET 40 4.796 7.486 -10.633 313 HE1 MET 40 3HE MET 40 4.757 4.603 -9.593 314 HE2 MET 40 1HE MET 40 6.517 4.613 -9.469 315 HE3 MET 40 2HE MET 40 5.609 6.108 -9.244 316 H PHE 41 H PHE 41 3.287 6.059 -9.966 317 HA PHE 41 HA PHE 41 2.040 8.248 -8.680 318 HB2 PHE 41 1HB PHE 41 -0.089 7.455 -9.091 319 HB3 PHE 41 2HB PHE 41 0.424 5.771 -9.093 320 HD1 PHE 41 2HD PHE 41 0.403 8.622 -6.679 321 HD2 PHE 41 1HD PHE 41 -0.399 4.502 -7.381 322 HE1 PHE 41 2HE PHE 41 -0.386 8.385 -4.361 323 HE2 PHE 41 1HE PHE 41 -1.190 4.258 -5.064 324 HZ PHE 41 HZ PHE 41 -1.183 6.200 -3.550 325 H TYR 42 H TYR 42 2.696 8.385 -6.597 326 HA TYR 42 HA TYR 42 4.095 6.041 -5.485 327 HB2 TYR 42 1HB TYR 42 4.726 8.973 -5.089 328 HB3 TYR 42 2HB TYR 42 5.564 7.640 -4.302 329 HD1 TYR 42 1HD TYR 42 6.613 5.861 -5.920 330 HD2 TYR 42 2HD TYR 42 5.580 9.826 -7.066 331 HE1 TYR 42 1HE TYR 42 8.170 5.712 -7.818 332 HE2 TYR 42 2HE TYR 42 7.132 9.687 -8.969 333 HH TYR 42 HH TYR 42 8.398 8.290 -10.214 334 H VAL 43 H VAL 43 3.593 5.386 -3.467 335 HA VAL 43 HA VAL 43 1.417 6.811 -2.111 336 HB VAL 43 HB VAL 43 2.417 4.042 -1.466 337 HG11 VAL 43 1HG1 VAL 43 -0.402 4.738 -1.083 338 HG12 VAL 43 2HG1 VAL 43 0.721 3.911 -0.003 339 HG13 VAL 43 3HG1 VAL 43 0.718 5.672 -0.092 340 HG21 VAL 43 3HG2 VAL 43 1.148 4.872 -3.851 341 HG22 VAL 43 1HG2 VAL 43 1.489 3.228 -3.311 342 HG23 VAL 43 2HG2 VAL 43 -0.048 3.990 -2.901 343 H LEU 44 H LEU 44 2.578 8.410 -1.036 344 HA LEU 44 HA LEU 44 4.862 7.820 0.578 345 HB2 LEU 44 1HB LEU 44 3.077 10.219 0.302 346 HB3 LEU 44 2HB LEU 44 4.384 10.159 1.482 347 HG LEU 44 HG LEU 44 5.114 11.376 -0.459 348 HD11 LEU 44 1HD1 LEU 44 6.630 9.689 0.734 349 HD12 LEU 44 2HD1 LEU 44 7.143 10.292 -0.841 350 HD13 LEU 44 3HD1 LEU 44 6.422 8.689 -0.703 351 HD21 LEU 44 3HD2 LEU 44 3.436 9.921 -1.921 352 HD22 LEU 44 1HD2 LEU 44 4.917 9.022 -2.252 353 HD23 LEU 44 2HD2 LEU 44 4.829 10.744 -2.624 354 H PHE 45 H PHE 45 4.506 6.395 2.195 355 HA PHE 45 HA PHE 45 2.580 7.203 4.260 356 HB2 PHE 45 1HB PHE 45 1.980 4.841 4.633 357 HB3 PHE 45 2HB PHE 45 1.553 5.372 3.010 358 HD1 PHE 45 2HD PHE 45 4.128 3.525 4.934 359 HD2 PHE 45 1HD PHE 45 2.338 4.228 1.137 360 HE1 PHE 45 2HE PHE 45 5.399 1.642 3.991 361 HE2 PHE 45 1HE PHE 45 3.606 2.345 0.187 362 HZ PHE 45 HZ PHE 45 5.139 1.050 1.614 363 H GLU 46 H GLU 46 3.018 6.037 6.367 364 HA GLU 46 HA GLU 46 5.928 5.764 6.738 365 HB2 GLU 46 1HB GLU 46 4.520 7.717 7.830 366 HB3 GLU 46 2HB GLU 46 4.122 6.474 9.008 367 HG2 GLU 46 1HG GLU 46 6.943 6.475 8.507 368 HG3 GLU 46 2HG GLU 46 6.398 8.099 8.924 369 H LEU 47 H LEU 47 5.842 3.507 6.345 370 HA LEU 47 HA LEU 47 4.183 1.811 7.975 371 HB2 LEU 47 1HB LEU 47 4.685 1.075 5.763 372 HB3 LEU 47 2HB LEU 47 6.417 1.252 6.037 373 HG LEU 47 HG LEU 47 5.326 -1.113 6.019 374 HD11 LEU 47 1HD1 LEU 47 7.288 -1.767 6.845 375 HD12 LEU 47 2HD1 LEU 47 6.988 -0.991 8.400 376 HD13 LEU 47 3HD1 LEU 47 7.647 -0.054 7.059 377 HD21 LEU 47 3HD2 LEU 47 3.712 -0.160 7.895 378 HD22 LEU 47 1HD2 LEU 47 5.026 -0.696 8.942 379 HD23 LEU 47 2HD2 LEU 47 4.225 -1.848 7.872 380 H THR 48 H THR 48 4.615 1.468 10.045 381 HA THR 48 HA THR 48 7.415 1.473 10.940 382 HB THR 48 HB THR 48 5.114 1.487 12.854 383 HG1 THR 48 1HG THR 48 5.964 3.618 11.198 384 HG21 THR 48 3HG2 THR 48 7.828 2.814 12.887 385 HG22 THR 48 1HG2 THR 48 7.429 1.289 13.675 386 HG23 THR 48 2HG2 THR 48 6.665 2.785 14.212 387 H ASN 49 H ASN 49 8.336 -0.428 11.293 388 HA ASN 49 HA ASN 49 6.788 -2.846 11.401 389 HB2 ASN 49 1HB ASN 49 9.042 -2.628 10.287 390 HB3 ASN 49 2HB ASN 49 9.753 -2.537 11.895 391 HD21 ASN 49 1HD2 ASN 49 10.750 -4.388 12.242 392 HD22 ASN 49 2HD2 ASN 49 10.083 -5.961 11.985 393 H THR 50 H THR 50 5.551 -2.603 13.297 394 HA THR 50 HA THR 50 6.704 -2.116 15.848 395 HB THR 50 HB THR 50 4.561 -2.665 16.781 396 HG1 THR 50 1HG THR 50 3.505 -4.269 15.909 397 HG21 THR 50 3HG2 THR 50 3.404 -0.933 15.879 398 HG22 THR 50 1HG2 THR 50 3.608 -1.515 14.227 399 HG23 THR 50 2HG2 THR 50 4.925 -0.659 15.029 400 H THR 51 H THR 51 6.742 -4.817 13.844 401 HA THR 51 HA THR 51 6.596 -6.903 15.761 402 HB THR 51 HB THR 51 7.375 -8.368 14.067 403 HG1 THR 51 1HG THR 51 8.461 -7.597 12.218 404 HG21 THR 51 3HG2 THR 51 5.154 -7.399 13.637 405 HG22 THR 51 1HG2 THR 51 5.996 -7.798 12.140 406 HG23 THR 51 2HG2 THR 51 5.906 -6.122 12.681 407 H GLU 52 H GLU 52 8.867 -8.432 15.293 408 HA GLU 52 HA GLU 52 11.060 -6.797 16.371 409 HB2 GLU 52 1HB GLU 52 10.207 -9.505 17.410 410 HB3 GLU 52 2HB GLU 52 11.610 -8.596 17.954 411 HG2 GLU 52 1HG GLU 52 9.720 -6.756 18.374 412 HG3 GLU 52 2HG GLU 52 8.747 -8.214 18.559 413 H LYS 53 H LYS 53 10.580 -7.786 13.689 414 HA LYS 53 HA LYS 53 12.896 -9.592 13.429 415 HB2 LYS 53 1HB LYS 53 10.406 -9.475 11.717 416 HB3 LYS 53 2HB LYS 53 11.829 -10.437 11.339 417 HG2 LYS 53 1HG LYS 53 11.207 -11.182 13.924 418 HG3 LYS 53 2HG LYS 53 9.634 -10.995 13.145 419 HD2 LYS 53 1HD LYS 53 9.975 -13.083 12.398 420 HD3 LYS 53 2HD LYS 53 11.064 -12.327 11.233 421 HE2 LYS 53 1HE LYS 53 12.703 -12.583 13.373 422 HE3 LYS 53 2HE LYS 53 11.658 -13.986 13.591 423 HZ1 LYS 53 3HZ LYS 53 13.052 -13.365 11.048 424 HZ2 LYS 53 1HZ LYS 53 12.238 -14.792 11.451 425 HZ3 LYS 53 2HZ LYS 53 13.685 -14.395 12.232 426 H THR 54 H THR 54 14.066 -9.383 11.363 427 HA THR 54 HA THR 54 14.024 -6.596 10.401 428 HB THR 54 HB THR 54 16.457 -8.360 10.278 429 HG1 THR 54 1HG THR 54 15.980 -8.262 12.460 430 HG21 THR 54 3HG2 THR 54 16.745 -6.459 8.943 431 HG22 THR 54 1HG2 THR 54 17.514 -6.019 10.466 432 HG23 THR 54 2HG2 THR 54 15.902 -5.415 10.086 433 H GLN 55 H GLN 55 12.711 -9.176 9.416 434 HA GLN 55 HA GLN 55 13.930 -9.962 7.007 435 HB2 GLN 55 1HB GLN 55 11.847 -11.015 6.464 436 HB3 GLN 55 2HB GLN 55 12.107 -11.198 8.193 437 HG2 GLN 55 1HG GLN 55 10.674 -8.856 8.016 438 HG3 GLN 55 2HG GLN 55 9.965 -9.867 6.758 439 HE21 GLN 55 1HE2 GLN 55 9.320 -8.928 9.667 440 HE22 GLN 55 2HE2 GLN 55 8.678 -10.362 10.384 441 H ASN 56 H ASN 56 12.447 -9.699 4.890 442 HA ASN 56 HA ASN 56 12.934 -7.178 3.877 443 HB2 ASN 56 1HB ASN 56 11.233 -9.471 3.044 444 HB3 ASN 56 2HB ASN 56 10.931 -7.924 2.259 445 HD21 ASN 56 1HD2 ASN 56 13.337 -6.827 1.962 446 HD22 ASN 56 2HD2 ASN 56 14.359 -7.817 0.981 447 H ILE 57 H ILE 57 11.164 -5.716 2.921 448 HA ILE 57 HA ILE 57 9.326 -5.032 5.106 449 HB ILE 57 HB ILE 57 9.852 -3.193 2.810 450 HG12 ILE 57 1HG1 ILE 57 11.710 -3.657 5.152 451 HG13 ILE 57 2HG1 ILE 57 12.083 -3.895 3.449 452 HG21 ILE 57 1HG2 ILE 57 8.391 -3.052 5.164 453 HG22 ILE 57 2HG2 ILE 57 9.833 -2.090 5.484 454 HG23 ILE 57 3HG2 ILE 57 8.808 -1.709 4.100 455 HD11 ILE 57 3HD1 ILE 57 11.790 -1.358 4.985 456 HD12 ILE 57 1HD1 ILE 57 13.083 -1.875 3.902 457 HD13 ILE 57 2HD1 ILE 57 11.526 -1.374 3.241 458 H GLN 58 H GLN 58 9.459 -5.433 1.588 459 HA GLN 58 HA GLN 58 6.831 -4.813 0.959 460 HB2 GLN 58 1HB GLN 58 9.001 -5.723 -0.437 461 HB3 GLN 58 2HB GLN 58 7.921 -7.108 -0.517 462 HG2 GLN 58 1HG GLN 58 6.141 -5.528 -1.333 463 HG3 GLN 58 2HG GLN 58 7.409 -4.312 -1.484 464 HE21 GLN 58 1HE2 GLN 58 6.992 -7.743 -2.307 465 HE22 GLN 58 2HE2 GLN 58 7.584 -7.602 -3.924 466 H LEU 59 H LEU 59 8.090 -7.526 2.654 467 HA LEU 59 HA LEU 59 6.027 -9.389 2.148 468 HB2 LEU 59 1HB LEU 59 8.371 -9.224 3.762 469 HB3 LEU 59 2HB LEU 59 7.033 -9.779 4.767 470 HG LEU 59 HG LEU 59 7.724 -11.089 2.149 471 HD11 LEU 59 1HD1 LEU 59 9.700 -11.131 3.612 472 HD12 LEU 59 2HD1 LEU 59 9.001 -12.733 3.383 473 HD13 LEU 59 3HD1 LEU 59 8.723 -11.857 4.888 474 HD21 LEU 59 3HD2 LEU 59 6.681 -12.899 3.997 475 HD22 LEU 59 1HD2 LEU 59 5.856 -12.204 2.601 476 HD23 LEU 59 2HD2 LEU 59 5.710 -11.437 4.183 477 H MET 60 H MET 60 6.046 -6.492 3.889 478 HA MET 60 HA MET 60 3.733 -7.310 5.507 479 HB2 MET 60 1HB MET 60 5.373 -4.788 5.773 480 HB3 MET 60 2HB MET 60 4.161 -5.387 6.897 481 HG2 MET 60 1HG MET 60 5.545 -7.227 7.521 482 HG3 MET 60 2HG MET 60 6.706 -6.847 6.251 483 HE1 MET 60 3HE MET 60 5.036 -3.909 8.120 484 HE2 MET 60 1HE MET 60 4.891 -5.170 9.345 485 HE3 MET 60 2HE MET 60 5.963 -3.796 9.617 486 H ILE 61 H ILE 61 4.879 -4.600 3.499 487 HA ILE 61 HA ILE 61 2.460 -3.215 3.348 488 HB ILE 61 HB ILE 61 4.670 -3.364 1.294 489 HG12 ILE 61 1HG1 ILE 61 5.438 -2.560 3.469 490 HG13 ILE 61 2HG1 ILE 61 5.406 -1.237 2.308 491 HG21 ILE 61 1HG2 ILE 61 2.177 -1.753 1.456 492 HG22 ILE 61 2HG2 ILE 61 3.634 -0.980 0.833 493 HG23 ILE 61 3HG2 ILE 61 2.999 -2.427 0.049 494 HD11 ILE 61 3HD1 ILE 61 3.521 -1.771 4.577 495 HD12 ILE 61 1HD1 ILE 61 4.543 -0.361 4.301 496 HD13 ILE 61 2HD1 ILE 61 3.139 -0.647 3.273 497 H GLN 62 H GLN 62 3.487 -6.115 1.782 498 HA GLN 62 HA GLN 62 1.534 -5.990 -0.333 499 HB2 GLN 62 1HB GLN 62 3.478 -8.078 0.613 500 HB3 GLN 62 2HB GLN 62 2.248 -8.463 -0.584 501 HG2 GLN 62 1HG GLN 62 3.128 -6.616 -1.993 502 HG3 GLN 62 2HG GLN 62 4.433 -6.411 -0.826 503 HE21 GLN 62 1HE2 GLN 62 5.268 -8.829 -0.224 504 HE22 GLN 62 2HE2 GLN 62 5.803 -9.697 -1.618 505 H SER 63 H SER 63 1.419 -6.698 2.934 506 HA SER 63 HA SER 63 -1.032 -8.296 2.577 507 HB2 SER 63 1HB SER 63 1.275 -9.018 3.979 508 HB3 SER 63 2HB SER 63 0.132 -8.524 5.228 509 HG SER 63 HG SER 63 -0.497 -10.345 3.146 510 H PHE 64 H PHE 64 0.041 -5.314 3.304 511 HA PHE 64 HA PHE 64 -1.953 -4.825 5.404 512 HB2 PHE 64 1HB PHE 64 0.551 -3.425 4.563 513 HB3 PHE 64 2HB PHE 64 -0.722 -2.492 5.341 514 HD1 PHE 64 1HD PHE 64 -1.766 -4.276 7.352 515 HD2 PHE 64 2HD PHE 64 2.255 -3.691 6.084 516 HE1 PHE 64 1HE PHE 64 -0.966 -5.022 9.556 517 HE2 PHE 64 2HE PHE 64 3.061 -4.438 8.286 518 HZ PHE 64 HZ PHE 64 1.450 -5.105 10.025 519 H MET 65 H MET 65 -0.763 -3.394 2.366 520 HA MET 65 HA MET 65 -3.461 -2.284 1.949 521 HB2 MET 65 1HB MET 65 -2.034 -0.716 0.345 522 HB3 MET 65 2HB MET 65 -2.252 -0.349 2.051 523 HG2 MET 65 1HG MET 65 -0.085 -1.487 2.502 524 HG3 MET 65 2HG MET 65 0.137 -1.638 0.761 525 HE1 MET 65 3HE MET 65 0.355 1.994 -0.448 526 HE2 MET 65 1HE MET 65 -0.353 0.409 -0.761 527 HE3 MET 65 2HE MET 65 -1.273 1.626 0.124 528 H GLU 66 H GLU 66 -4.505 -3.472 0.493 529 HA GLU 66 HA GLU 66 -2.991 -4.675 -1.716 530 HB2 GLU 66 1HB GLU 66 -4.274 -6.284 -0.474 531 HB3 GLU 66 2HB GLU 66 -5.720 -5.291 -0.582 532 HG2 GLU 66 1HG GLU 66 -6.127 -5.866 -2.758 533 HG3 GLU 66 2HG GLU 66 -4.434 -6.221 -3.096 534 H VAL 67 H VAL 67 -2.840 -2.674 -2.877 535 HA VAL 67 HA VAL 67 -5.236 -1.347 -3.763 536 HB VAL 67 HB VAL 67 -3.304 0.029 -3.482 537 HG11 VAL 67 1HG1 VAL 67 -1.568 -0.809 -5.567 538 HG12 VAL 67 2HG1 VAL 67 -1.253 -0.743 -3.832 539 HG13 VAL 67 3HG1 VAL 67 -1.924 -2.207 -4.554 540 HG21 VAL 67 3HG2 VAL 67 -4.786 0.606 -5.350 541 HG22 VAL 67 1HG2 VAL 67 -3.117 1.079 -5.670 542 HG23 VAL 67 2HG2 VAL 67 -3.788 -0.362 -6.435 543 H SER 68 H SER 68 -6.027 -1.254 -5.887 544 HA SER 68 HA SER 68 -4.935 -2.767 -8.026 545 HB2 SER 68 1HB SER 68 -6.774 -4.453 -8.183 546 HB3 SER 68 2HB SER 68 -5.728 -4.687 -6.783 547 HG SER 68 HG SER 68 -7.569 -4.688 -5.753 548 H GLN 69 H GLN 69 -6.388 -2.785 -9.933 549 HA GLN 69 HA GLN 69 -8.664 -0.990 -9.841 550 HB2 GLN 69 1HB GLN 69 -6.262 -0.352 -11.562 551 HB3 GLN 69 2HB GLN 69 -7.787 0.522 -11.552 552 HG2 GLN 69 1HG GLN 69 -7.364 1.047 -9.141 553 HG3 GLN 69 2HG GLN 69 -5.753 0.361 -9.347 554 HE21 GLN 69 1HE2 GLN 69 -7.762 2.449 -11.390 555 HE22 GLN 69 2HE2 GLN 69 -6.597 3.716 -11.540 556 H THR 70 H THR 70 -10.131 -1.391 -11.427 557 HA THR 70 HA THR 70 -10.177 -3.816 -12.737 558 HB THR 70 HB THR 70 -11.586 -1.716 -14.220 559 HG1 THR 70 1HG THR 70 -12.961 -1.195 -12.457 560 HG21 THR 70 3HG2 THR 70 -13.533 -3.203 -13.480 561 HG22 THR 70 1HG2 THR 70 -12.304 -4.268 -12.801 562 HG23 THR 70 2HG2 THR 70 -12.319 -3.929 -14.531 563 H VAL 71 H VAL 71 -9.012 -4.614 -14.347 564 HA VAL 71 HA VAL 71 -7.737 -2.751 -16.234 565 HB VAL 71 HB VAL 71 -6.992 -5.602 -15.565 566 HG11 VAL 71 1HG1 VAL 71 -6.420 -5.220 -17.836 567 HG12 VAL 71 2HG1 VAL 71 -5.789 -3.612 -17.476 568 HG13 VAL 71 3HG1 VAL 71 -4.935 -5.045 -16.902 569 HG21 VAL 71 3HG2 VAL 71 -5.728 -2.965 -14.836 570 HG22 VAL 71 1HG2 VAL 71 -6.433 -4.154 -13.741 571 HG23 VAL 71 2HG2 VAL 71 -4.948 -4.531 -14.615 572 H HIS 72 H HIS 72 -8.368 -6.208 -16.600 573 HA HIS 72 HA HIS 72 -9.538 -5.687 -19.216 574 HB2 HIS 72 1HB HIS 72 -8.176 -7.938 -17.921 575 HB3 HIS 72 2HB HIS 72 -9.565 -8.419 -18.892 576 HD1 HIS 72 1HD HIS 72 -9.273 -8.435 -21.388 577 HD2 HIS 72 2HD HIS 72 -6.128 -6.565 -19.419 578 HE1 HIS 72 1HE HIS 72 -7.525 -8.026 -23.150 579 H GLY 73 H GLY 73 -11.086 -4.911 -16.951 580 HA2 GLY 73 1HA GLY 73 -13.468 -4.946 -16.849 581 HA3 GLY 73 2HA GLY 73 -13.437 -6.604 -17.431 582 H LYS 74 H LYS 74 -11.118 -5.987 -15.039 583 HA LYS 74 HA LYS 74 -12.800 -6.460 -12.760 584 HB2 LYS 74 1HB LYS 74 -11.284 -8.684 -14.042 585 HB3 LYS 74 2HB LYS 74 -11.327 -8.621 -12.285 586 HG2 LYS 74 1HG LYS 74 -13.967 -8.221 -13.113 587 HG3 LYS 74 2HG LYS 74 -13.334 -9.517 -14.131 588 HD2 LYS 74 1HD LYS 74 -12.859 -10.885 -12.298 589 HD3 LYS 74 2HD LYS 74 -12.916 -9.536 -11.160 590 HE2 LYS 74 1HE LYS 74 -15.428 -9.456 -12.151 591 HE3 LYS 74 2HE LYS 74 -15.095 -11.183 -12.267 592 HZ1 LYS 74 3HZ LYS 74 -15.615 -9.588 -9.953 593 HZ2 LYS 74 1HZ LYS 74 -14.195 -10.493 -9.788 594 HZ3 LYS 74 2HZ LYS 74 -15.657 -11.270 -10.133 595 H ALA 75 H ALA 75 -11.780 -5.989 -10.846 596 HA ALA 75 HA ALA 75 -9.589 -4.310 -10.836 597 HB1 ALA 75 1HB ALA 75 -9.541 -5.472 -8.322 598 HB2 ALA 75 2HB ALA 75 -10.468 -4.051 -8.807 599 HB3 ALA 75 3HB ALA 75 -11.216 -5.647 -8.847 600 H GLN 76 H GLN 76 -7.458 -4.583 -10.988 601 HA GLN 76 HA GLN 76 -6.389 -7.315 -10.724 602 HB2 GLN 76 1HB GLN 76 -6.262 -6.345 -13.007 603 HB3 GLN 76 2HB GLN 76 -5.277 -5.035 -12.369 604 HG2 GLN 76 1HG GLN 76 -3.786 -7.028 -11.513 605 HG3 GLN 76 2HG GLN 76 -4.581 -7.884 -12.833 606 HE21 GLN 76 1HE2 GLN 76 -3.395 -4.563 -12.453 607 HE22 GLN 76 2HE2 GLN 76 -2.379 -4.583 -13.851 608 H ASN 77 H ASN 77 -4.885 -7.688 -9.224 609 HA ASN 77 HA ASN 77 -4.283 -5.967 -7.173 610 HB2 ASN 77 1HB ASN 77 -2.428 -7.467 -6.613 611 HB3 ASN 77 2HB ASN 77 -3.849 -8.388 -7.096 612 HD21 ASN 77 1HD2 ASN 77 -3.894 -9.267 -9.244 613 HD22 ASN 77 2HD2 ASN 77 -2.414 -9.673 -10.037 614 H LEU 78 H LEU 78 -3.518 -3.962 -7.469 615 HA LEU 78 HA LEU 78 -1.668 -3.250 -9.505 616 HB2 LEU 78 1HB LEU 78 -3.239 -1.925 -7.509 617 HB3 LEU 78 2HB LEU 78 -1.590 -1.306 -7.469 618 HG LEU 78 HG LEU 78 -1.749 -0.712 -9.833 619 HD11 LEU 78 1HD1 LEU 78 -4.669 -1.232 -9.876 620 HD12 LEU 78 2HD1 LEU 78 -3.584 -2.600 -10.122 621 HD13 LEU 78 3HD1 LEU 78 -3.501 -1.204 -11.197 622 HD21 LEU 78 3HD2 LEU 78 -3.298 1.131 -9.609 623 HD22 LEU 78 1HD2 LEU 78 -2.424 0.900 -8.095 624 HD23 LEU 78 2HD2 LEU 78 -4.089 0.338 -8.246 625 H GLN 79 H GLN 79 0.333 -4.070 -9.473 626 HA GLN 79 HA GLN 79 1.777 -4.198 -6.923 627 HB2 GLN 79 1HB GLN 79 3.235 -5.784 -7.935 628 HB3 GLN 79 2HB GLN 79 1.598 -6.245 -8.383 629 HG2 GLN 79 1HG GLN 79 1.912 -5.156 -10.565 630 HG3 GLN 79 2HG GLN 79 3.573 -4.776 -10.113 631 HE21 GLN 79 1HE2 GLN 79 1.371 -7.228 -11.133 632 HE22 GLN 79 2HE2 GLN 79 2.543 -8.469 -11.402 633 H TYR 80 H TYR 80 4.344 -4.048 -7.574 634 HA TYR 80 HA TYR 80 4.909 -1.354 -7.762 635 HB2 TYR 80 1HB TYR 80 6.482 -3.114 -6.960 636 HB3 TYR 80 2HB TYR 80 6.739 -3.601 -8.631 637 HD1 TYR 80 1HD TYR 80 7.969 -2.144 -10.176 638 HD2 TYR 80 2HD TYR 80 7.482 -1.107 -6.078 639 HE1 TYR 80 1HE TYR 80 9.761 -0.474 -10.391 640 HE2 TYR 80 2HE TYR 80 9.272 0.567 -6.283 641 HH TYR 80 HH TYR 80 11.074 0.969 -9.309 642 H ALA 81 H ALA 81 5.039 0.085 -9.360 643 HA ALA 81 HA ALA 81 4.550 -0.820 -12.089 644 HB1 ALA 81 1HB ALA 81 3.354 1.038 -12.257 645 HB2 ALA 81 2HB ALA 81 3.756 1.425 -10.584 646 HB3 ALA 81 3HB ALA 81 4.773 2.020 -11.895 647 H VAL 82 H VAL 82 5.871 -0.313 -13.840 648 HA VAL 82 HA VAL 82 8.680 -0.079 -13.203 649 HB VAL 82 HB VAL 82 7.370 -0.271 -15.918 650 HG11 VAL 82 1HG1 VAL 82 9.653 -1.210 -16.512 651 HG12 VAL 82 2HG1 VAL 82 9.568 0.526 -16.209 652 HG13 VAL 82 3HG1 VAL 82 10.209 -0.556 -14.972 653 HG21 VAL 82 3HG2 VAL 82 8.116 -2.690 -15.732 654 HG22 VAL 82 1HG2 VAL 82 8.314 -2.390 -14.005 655 HG23 VAL 82 2HG2 VAL 82 6.726 -2.220 -14.753 656 H LEU 83 H LEU 83 10.084 1.532 -13.939 657 HA LEU 83 HA LEU 83 9.099 3.831 -15.357 658 HB2 LEU 83 1HB LEU 83 9.786 5.402 -13.496 659 HB3 LEU 83 2HB LEU 83 8.267 4.535 -13.284 660 HG LEU 83 HG LEU 83 9.698 2.876 -11.892 661 HD11 LEU 83 1HD1 LEU 83 11.826 3.368 -11.523 662 HD12 LEU 83 2HD1 LEU 83 11.388 4.964 -10.915 663 HD13 LEU 83 3HD1 LEU 83 11.681 4.728 -12.638 664 HD21 LEU 83 3HD2 LEU 83 9.521 4.557 -9.915 665 HD22 LEU 83 1HD2 LEU 83 8.055 4.005 -10.727 666 HD23 LEU 83 2HD2 LEU 83 8.728 5.592 -11.104 667 H THR 84 H THR 84 10.726 5.006 -16.284 668 HA THR 84 HA THR 84 13.245 3.815 -16.580 669 HB THR 84 HB THR 84 13.910 6.047 -17.601 670 HG1 THR 84 1HG THR 84 12.227 7.180 -16.295 671 HG21 THR 84 3HG2 THR 84 13.139 4.324 -19.051 672 HG22 THR 84 1HG2 THR 84 12.278 5.792 -19.512 673 HG23 THR 84 2HG2 THR 84 11.465 4.559 -18.548 674 H ASP 85 H ASP 85 12.058 6.157 -14.301 675 HA ASP 85 HA ASP 85 14.203 5.821 -12.528 676 HB2 ASP 85 1HB ASP 85 15.083 7.348 -14.551 677 HB3 ASP 85 2HB ASP 85 14.356 8.605 -13.553 678 H SER 86 H SER 86 13.803 6.761 -10.543 679 HA SER 86 HA SER 86 11.439 8.505 -10.362 680 HB2 SER 86 1HB SER 86 10.571 6.409 -9.701 681 HB3 SER 86 2HB SER 86 12.030 5.995 -8.800 682 HG SER 86 HG SER 86 10.672 6.635 -7.247 683 HA PRO 87 HA PRO 87 13.956 11.068 -7.826 684 HB2 PRO 87 1HB PRO 87 12.024 12.334 -6.399 685 HB3 PRO 87 2HB PRO 87 12.341 12.679 -8.103 686 HG2 PRO 87 1HG PRO 87 10.222 10.952 -6.883 687 HG3 PRO 87 2HG PRO 87 10.089 12.113 -8.217 688 HD2 PRO 87 1HD PRO 87 10.278 9.443 -8.624 689 HD3 PRO 87 2HD PRO 87 10.948 10.631 -9.759 690 H PHE 88 H PHE 88 11.635 8.879 -6.401 691 HA PHE 88 HA PHE 88 13.005 9.070 -3.809 692 HB2 PHE 88 1HB PHE 88 10.363 7.755 -4.476 693 HB3 PHE 88 2HB PHE 88 11.054 7.935 -2.867 694 HD1 PHE 88 1HD PHE 88 11.868 10.586 -2.562 695 HD2 PHE 88 2HD PHE 88 8.565 9.123 -4.813 696 HE1 PHE 88 1HE PHE 88 10.746 12.763 -2.323 697 HE2 PHE 88 2HE PHE 88 7.438 11.298 -4.579 698 HZ PHE 88 HZ PHE 88 8.529 13.121 -3.333 699 H GLN 89 H GLN 89 14.325 7.768 -5.914 700 HA GLN 89 HA GLN 89 13.962 5.019 -6.090 701 HB2 GLN 89 1HB GLN 89 15.646 6.714 -7.269 702 HB3 GLN 89 2HB GLN 89 16.746 6.073 -6.057 703 HG2 GLN 89 1HG GLN 89 16.885 4.890 -8.206 704 HG3 GLN 89 2HG GLN 89 16.423 3.837 -6.870 705 HE21 GLN 89 1HE2 GLN 89 14.983 2.403 -7.472 706 HE22 GLN 89 2HE2 GLN 89 13.674 2.662 -8.569 707 H ASP 90 H ASP 90 15.298 6.934 -3.534 708 HA ASP 90 HA ASP 90 16.723 4.843 -2.221 709 HB2 ASP 90 1HB ASP 90 16.568 7.580 -1.933 710 HB3 ASP 90 2HB ASP 90 15.736 6.993 -0.496 711 H LYS 91 H LYS 91 13.415 5.856 -2.296 712 HA LYS 91 HA LYS 91 12.726 4.299 0.070 713 HB2 LYS 91 1HB LYS 91 10.963 5.906 -1.789 714 HB3 LYS 91 2HB LYS 91 10.456 5.168 -0.276 715 HG2 LYS 91 1HG LYS 91 11.711 6.668 1.009 716 HG3 LYS 91 2HG LYS 91 12.668 7.190 -0.379 717 HD2 LYS 91 1HD LYS 91 11.254 8.902 -0.576 718 HD3 LYS 91 2HD LYS 91 10.039 7.734 -1.102 719 HE2 LYS 91 1HE LYS 91 8.861 8.520 0.642 720 HE3 LYS 91 2HE LYS 91 9.897 7.456 1.592 721 HZ1 LYS 91 3HZ LYS 91 9.658 9.907 2.282 722 HZ2 LYS 91 1HZ LYS 91 10.737 10.221 1.017 723 HZ3 LYS 91 2HZ LYS 91 11.200 9.211 2.292 724 H LEU 92 H LEU 92 12.850 3.967 -3.334 725 HA LEU 92 HA LEU 92 10.828 1.970 -3.611 726 HB2 LEU 92 1HB LEU 92 13.171 2.659 -5.378 727 HB3 LEU 92 2HB LEU 92 11.857 1.570 -5.819 728 HG LEU 92 HG LEU 92 11.658 4.540 -5.328 729 HD11 LEU 92 1HD1 LEU 92 11.921 2.834 -7.714 730 HD12 LEU 92 2HD1 LEU 92 12.375 4.519 -7.462 731 HD13 LEU 92 3HD1 LEU 92 10.697 4.101 -7.805 732 HD21 LEU 92 3HD2 LEU 92 9.304 4.280 -6.001 733 HD22 LEU 92 1HD2 LEU 92 9.668 3.444 -4.491 734 HD23 LEU 92 2HD2 LEU 92 9.510 2.527 -5.990 735 H ASP 93 H ASP 93 14.369 1.880 -3.366 736 HA ASP 93 HA ASP 93 14.671 -0.898 -3.594 737 HB2 ASP 93 1HB ASP 93 16.328 1.344 -2.571 738 HB3 ASP 93 2HB ASP 93 16.779 -0.277 -2.050 739 H ARG 94 H ARG 94 13.404 1.004 -1.060 740 HA ARG 94 HA ARG 94 14.047 -0.381 1.234 741 HB2 ARG 94 1HB ARG 94 11.409 0.888 0.483 742 HB3 ARG 94 2HB ARG 94 11.837 0.374 2.109 743 HG2 ARG 94 1HG ARG 94 13.323 2.446 0.507 744 HG3 ARG 94 2HG ARG 94 12.125 2.790 1.756 745 HD2 ARG 94 1HD ARG 94 14.091 0.959 2.760 746 HD3 ARG 94 2HD ARG 94 14.886 2.377 2.077 747 HE ARG 94 HE ARG 94 13.267 2.270 4.453 748 HH11 ARG 94 1HH1 ARG 94 14.511 4.302 1.914 749 HH12 ARG 94 2HH1 ARG 94 14.376 5.761 2.837 750 HH21 ARG 94 1HH2 ARG 94 13.085 4.185 5.679 751 HH22 ARG 94 2HH2 ARG 94 13.566 5.694 4.979 752 H LEU 95 H LEU 95 11.477 -1.096 -1.103 753 HA LEU 95 HA LEU 95 10.263 -3.217 0.215 754 HB2 LEU 95 1HB LEU 95 10.671 -3.179 -2.757 755 HB3 LEU 95 2HB LEU 95 9.303 -3.812 -1.843 756 HG LEU 95 HG LEU 95 9.977 -0.938 -2.425 757 HD11 LEU 95 1HD1 LEU 95 8.077 -2.912 -3.426 758 HD12 LEU 95 2HD1 LEU 95 8.637 -1.405 -4.149 759 HD13 LEU 95 3HD1 LEU 95 7.332 -1.382 -2.963 760 HD21 LEU 95 3HD2 LEU 95 9.342 -1.055 -0.093 761 HD22 LEU 95 1HD2 LEU 95 7.931 -2.032 -0.498 762 HD23 LEU 95 2HD2 LEU 95 8.026 -0.355 -1.037 763 H ALA 96 H ALA 96 13.164 -3.157 -1.779 764 HA ALA 96 HA ALA 96 13.496 -6.042 -1.535 765 HB1 ALA 96 1HB ALA 96 14.667 -3.915 -3.211 766 HB2 ALA 96 2HB ALA 96 15.735 -5.255 -2.792 767 HB3 ALA 96 3HB ALA 96 14.211 -5.568 -3.624 768 H ASP 97 H ASP 97 13.825 -3.843 0.649 769 HA ASP 97 HA ASP 97 16.458 -4.768 1.597 770 HB2 ASP 97 1HB ASP 97 15.443 -2.116 1.297 771 HB3 ASP 97 2HB ASP 97 15.661 -2.434 3.015 772 H GLU 98 H GLU 98 16.435 -4.140 4.179 773 HA GLU 98 HA GLU 98 14.411 -5.936 5.251 774 HB2 GLU 98 1HB GLU 98 16.908 -4.723 6.434 775 HB3 GLU 98 2HB GLU 98 15.783 -5.698 7.368 776 HG2 GLU 98 1HG GLU 98 16.271 -7.635 6.160 777 HG3 GLU 98 2HG GLU 98 17.021 -6.732 4.845 778 H ILE 99 H ILE 99 13.656 -5.308 7.570 779 HA ILE 99 HA ILE 99 12.468 -2.638 7.351 780 HB ILE 99 HB ILE 99 10.887 -3.427 9.098 781 HG12 ILE 99 1HG1 ILE 99 12.727 -5.731 9.046 782 HG13 ILE 99 2HG1 ILE 99 11.705 -5.134 10.349 783 HG21 ILE 99 1HG2 ILE 99 10.997 -5.281 6.726 784 HG22 ILE 99 2HG2 ILE 99 9.570 -4.787 7.636 785 HG23 ILE 99 3HG2 ILE 99 10.438 -3.610 6.651 786 HD11 ILE 99 3HD1 ILE 99 9.758 -6.167 9.196 787 HD12 ILE 99 1HD1 ILE 99 10.888 -6.887 8.049 788 HD13 ILE 99 2HD1 ILE 99 10.971 -7.318 9.757 789 H ASN 100 H ASN 100 11.947 -1.680 9.632 790 HA ASN 100 HA ASN 100 14.383 -1.855 11.280 791 HB2 ASN 100 1HB ASN 100 12.745 0.639 10.781 792 HB3 ASN 100 2HB ASN 100 14.249 0.530 11.692 793 HD21 ASN 100 1HD2 ASN 100 15.717 -1.113 10.024 794 HD22 ASN 100 2HD2 ASN 100 16.045 -0.271 8.551 795 HA PRO 101 HA PRO 101 10.811 -2.916 13.979 796 HB2 PRO 101 1HB PRO 101 12.191 -4.737 15.444 797 HB3 PRO 101 2HB PRO 101 11.410 -5.133 13.909 798 HG2 PRO 101 1HG PRO 101 14.284 -4.509 14.466 799 HG3 PRO 101 2HG PRO 101 13.594 -5.771 13.429 800 HD2 PRO 101 1HD PRO 101 14.573 -3.447 12.441 801 HD3 PRO 101 2HD PRO 101 13.216 -4.309 11.688 802 H GLY 102 H GLY 102 10.598 -1.152 15.265 803 HA2 GLY 102 1HA GLY 102 10.845 -0.357 17.517 804 HA3 GLY 102 2HA GLY 102 12.514 -0.909 17.487 805 H GLU 103 H GLU 103 11.774 0.568 14.585 806 HA GLU 103 HA GLU 103 12.916 3.117 15.527 807 HB2 GLU 103 1HB GLU 103 14.470 1.907 14.096 808 HB3 GLU 103 2HB GLU 103 13.239 1.751 12.850 809 HG2 GLU 103 1HG GLU 103 14.823 3.491 12.285 810 HG3 GLU 103 2HG GLU 103 13.218 4.170 12.554 811 H THR 104 H THR 104 12.261 5.044 14.384 812 HA THR 104 HA THR 104 9.512 4.826 13.347 813 HB THR 104 HB THR 104 9.442 6.130 15.320 814 HG1 THR 104 1HG THR 104 8.271 7.518 14.249 815 HG21 THR 104 3HG2 THR 104 12.062 7.064 14.400 816 HG22 THR 104 1HG2 THR 104 11.427 6.906 16.038 817 HG23 THR 104 2HG2 THR 104 11.044 8.335 15.077 818 H ILE 105 H ILE 105 10.081 4.505 11.181 819 HA ILE 105 HA ILE 105 11.065 6.926 9.840 820 HB ILE 105 HB ILE 105 12.334 5.577 8.236 821 HG12 ILE 105 1HG1 ILE 105 12.756 3.142 9.469 822 HG13 ILE 105 2HG1 ILE 105 11.027 3.394 9.682 823 HG21 ILE 105 1HG2 ILE 105 14.028 4.647 10.035 824 HG22 ILE 105 2HG2 ILE 105 13.791 6.378 9.798 825 HG23 ILE 105 3HG2 ILE 105 12.988 5.553 11.134 826 HD11 ILE 105 3HD1 ILE 105 12.598 3.027 7.186 827 HD12 ILE 105 1HD1 ILE 105 11.076 2.288 7.684 828 HD13 ILE 105 2HD1 ILE 105 11.104 3.964 7.134 829 H GLN 106 H GLN 106 10.776 6.483 7.308 830 HA GLN 106 HA GLN 106 8.182 5.192 6.852 831 HB2 GLN 106 1HB GLN 106 7.256 7.064 5.752 832 HB3 GLN 106 2HB GLN 106 7.956 7.698 7.236 833 HG2 GLN 106 1HG GLN 106 9.942 8.408 5.962 834 HG3 GLN 106 2HG GLN 106 9.164 7.843 4.484 835 HE21 GLN 106 1HE2 GLN 106 9.142 10.238 7.004 836 HE22 GLN 106 2HE2 GLN 106 8.101 11.361 6.206 837 H GLY 107 H GLY 107 7.789 5.749 4.233 838 HA2 GLY 107 1HA GLY 107 10.112 5.509 2.614 839 HA3 GLY 107 2HA GLY 107 9.398 3.928 2.897 840 H ALA 108 H ALA 108 9.020 3.802 0.616 841 HA ALA 108 HA ALA 108 6.518 5.125 -0.142 842 HB1 ALA 108 1HB ALA 108 8.593 4.854 -2.253 843 HB2 ALA 108 2HB ALA 108 7.285 6.027 -2.094 844 HB3 ALA 108 3HB ALA 108 8.736 6.184 -1.103 845 H TYR 109 H TYR 109 5.762 4.127 -2.343 846 HA TYR 109 HA TYR 109 6.538 1.514 -3.037 847 HB2 TYR 109 1HB TYR 109 5.449 1.255 -0.683 848 HB3 TYR 109 2HB TYR 109 3.931 1.470 -1.549 849 HD1 TYR 109 1HD TYR 109 4.131 -0.014 -3.947 850 HD2 TYR 109 2HD TYR 109 5.789 -0.957 -0.143 851 HE1 TYR 109 1HE TYR 109 4.130 -2.400 -4.545 852 HE2 TYR 109 2HE TYR 109 5.793 -3.345 -0.731 853 HH TYR 109 HH TYR 109 4.168 -4.767 -2.661 854 HA PRO 110 HA PRO 110 3.869 3.700 -6.071 855 HB2 PRO 110 1HB PRO 110 5.367 2.978 -8.217 856 HB3 PRO 110 2HB PRO 110 5.741 4.384 -7.214 857 HG2 PRO 110 1HG PRO 110 6.941 1.643 -7.155 858 HG3 PRO 110 2HG PRO 110 7.746 3.219 -7.041 859 HD2 PRO 110 1HD PRO 110 7.231 1.686 -4.869 860 HD3 PRO 110 2HD PRO 110 7.233 3.460 -4.807 861 H TYR 111 H TYR 111 2.300 2.837 -7.370 862 HA TYR 111 HA TYR 111 2.359 -0.080 -7.782 863 HB2 TYR 111 1HB TYR 111 -0.008 1.645 -7.029 864 HB3 TYR 111 2HB TYR 111 -0.120 -0.048 -7.497 865 HD1 TYR 111 2HD TYR 111 1.380 -1.691 -6.089 866 HD2 TYR 111 1HD TYR 111 0.169 2.173 -4.783 867 HE1 TYR 111 2HE TYR 111 1.765 -2.366 -3.756 868 HE2 TYR 111 1HE TYR 111 0.552 1.510 -2.446 869 HH TYR 111 HH TYR 111 2.250 -0.509 -1.362 870 H GLU 112 H GLU 112 0.795 -0.780 -9.523 871 HA GLU 112 HA GLU 112 1.455 0.440 -11.949 872 HB2 GLU 112 1HB GLU 112 -0.105 -1.820 -11.073 873 HB3 GLU 112 2HB GLU 112 -0.943 -0.974 -12.367 874 HG2 GLU 112 1HG GLU 112 0.322 -2.117 -13.779 875 HG3 GLU 112 2HG GLU 112 1.669 -1.109 -13.254 876 H PHE 113 H PHE 113 0.739 2.232 -12.874 877 HA PHE 113 HA PHE 113 -1.806 3.374 -11.957 878 HB2 PHE 113 1HB PHE 113 0.642 4.556 -12.109 879 HB3 PHE 113 2HB PHE 113 -0.048 5.019 -13.661 880 HD1 PHE 113 2HD PHE 113 -1.466 4.663 -10.227 881 HD2 PHE 113 1HD PHE 113 -0.796 7.182 -13.592 882 HE1 PHE 113 2HE PHE 113 -2.725 6.466 -9.124 883 HE2 PHE 113 1HE PHE 113 -2.054 8.989 -12.493 884 HZ PHE 113 HZ PHE 113 -3.022 8.632 -10.257 885 H ILE 114 H ILE 114 -0.980 1.348 -14.234 886 HA ILE 114 HA ILE 114 -1.491 2.264 -16.734 887 HB ILE 114 HB ILE 114 -2.616 -0.268 -15.533 888 HG12 ILE 114 1HG1 ILE 114 -0.108 0.120 -17.174 889 HG13 ILE 114 2HG1 ILE 114 -0.119 0.070 -15.415 890 HG21 ILE 114 1HG2 ILE 114 -3.697 -0.492 -17.467 891 HG22 ILE 114 2HG2 ILE 114 -2.872 0.897 -18.171 892 HG23 ILE 114 3HG2 ILE 114 -2.117 -0.695 -18.223 893 HD11 ILE 114 3HD1 ILE 114 -0.863 -2.136 -17.314 894 HD12 ILE 114 1HD1 ILE 114 0.508 -2.077 -16.207 895 HD13 ILE 114 2HD1 ILE 114 -1.133 -2.205 -15.573 896 H ASN 115 H ASN 115 -3.855 1.737 -14.179 897 HA ASN 115 HA ASN 115 -6.070 2.441 -15.918 898 HB2 ASN 115 1HB ASN 115 -5.788 1.454 -13.115 899 HB3 ASN 115 2HB ASN 115 -7.258 2.323 -13.546 900 HD21 ASN 115 1HD2 ASN 115 -7.784 1.527 -16.046 901 HD22 ASN 115 2HD2 ASN 115 -8.059 -0.178 -16.104 902 H GLU 116 H GLU 116 -4.465 4.533 -16.029 903 HA GLU 116 HA GLU 116 -4.732 6.478 -14.009 904 HB2 GLU 116 1HB GLU 116 -4.130 8.091 -15.870 905 HB3 GLU 116 2HB GLU 116 -2.990 6.783 -15.582 906 HG2 GLU 116 1HG GLU 116 -3.151 6.139 -17.687 907 HG3 GLU 116 2HG GLU 116 -4.892 5.922 -17.515 908 H ASN 117 H ASN 117 -6.966 5.280 -16.261 909 HA ASN 117 HA ASN 117 -8.603 7.698 -16.229 910 HB2 ASN 117 1HB ASN 117 -9.868 5.453 -17.521 911 HB3 ASN 117 2HB ASN 117 -9.354 6.988 -18.215 912 HD21 ASN 117 1HD2 ASN 117 -6.972 7.153 -18.639 913 HD22 ASN 117 2HD2 ASN 117 -6.196 5.756 -19.296 914 H LYS 118 H LYS 118 -8.617 4.371 -15.076 915 HA LYS 118 HA LYS 118 -11.240 4.653 -13.877 916 HB2 LYS 118 1HB LYS 118 -9.211 2.414 -13.793 917 HB3 LYS 118 2HB LYS 118 -10.793 2.342 -13.028 918 HG2 LYS 118 1HG LYS 118 -10.244 2.627 -15.975 919 HG3 LYS 118 2HG LYS 118 -10.833 1.185 -15.145 920 HD2 LYS 118 1HD LYS 118 -12.774 2.698 -14.368 921 HD3 LYS 118 2HD LYS 118 -12.250 3.778 -15.662 922 HE2 LYS 118 1HE LYS 118 -12.489 1.916 -17.265 923 HE3 LYS 118 2HE LYS 118 -13.086 0.894 -15.959 924 HZ1 LYS 118 3HZ LYS 118 -14.528 2.685 -17.557 925 HZ2 LYS 118 1HZ LYS 118 -14.577 3.258 -15.966 926 HZ3 LYS 118 2HZ LYS 118 -15.104 1.690 -16.316 927 HA PRO 119 HA PRO 119 -10.005 5.975 -9.879 928 HB2 PRO 119 1HB PRO 119 -11.775 4.655 -8.299 929 HB3 PRO 119 2HB PRO 119 -12.235 6.018 -9.327 930 HG2 PRO 119 1HG PRO 119 -12.547 3.082 -9.822 931 HG3 PRO 119 2HG PRO 119 -13.699 4.396 -10.125 932 HD2 PRO 119 1HD PRO 119 -12.188 3.301 -12.087 933 HD3 PRO 119 2HD PRO 119 -12.673 5.009 -12.096 934 H VAL 120 H VAL 120 -8.657 5.418 -8.223 935 HA VAL 120 HA VAL 120 -7.368 2.863 -8.357 936 HB VAL 120 HB VAL 120 -7.006 5.010 -6.263 937 HG11 VAL 120 1HG1 VAL 120 -5.911 3.177 -5.411 938 HG12 VAL 120 2HG1 VAL 120 -5.523 2.531 -7.006 939 HG13 VAL 120 3HG1 VAL 120 -4.631 3.914 -6.372 940 HG21 VAL 120 3HG2 VAL 120 -6.697 5.888 -8.549 941 HG22 VAL 120 1HG2 VAL 120 -5.196 5.867 -7.624 942 HG23 VAL 120 2HG2 VAL 120 -5.494 4.633 -8.848 943 H HIS 121 H HIS 121 -8.690 1.218 -7.724 944 HA HIS 121 HA HIS 121 -10.382 1.356 -5.432 945 HB2 HIS 121 1HB HIS 121 -10.521 -0.182 -7.551 946 HB3 HIS 121 2HB HIS 121 -9.474 -1.244 -6.614 947 HD1 HIS 121 1HD HIS 121 -11.026 -0.366 -3.869 948 HD2 HIS 121 2HD HIS 121 -12.635 -2.030 -7.319 949 HE1 HIS 121 1HE HIS 121 -13.171 -1.463 -3.149 950 H PHE 122 H PHE 122 -8.791 2.091 -3.866 951 HA PHE 122 HA PHE 122 -6.611 0.428 -3.093 952 HB2 PHE 122 1HB PHE 122 -7.955 2.836 -1.914 953 HB3 PHE 122 2HB PHE 122 -6.788 1.929 -0.958 954 HD1 PHE 122 1HD PHE 122 -4.617 1.282 -2.542 955 HD2 PHE 122 2HD PHE 122 -7.094 4.729 -2.855 956 HE1 PHE 122 1HE PHE 122 -2.777 2.502 -3.630 957 HE2 PHE 122 2HE PHE 122 -5.259 5.954 -3.944 958 HZ PHE 122 HZ PHE 122 -3.098 4.840 -4.333 959 H LYS 123 H LYS 123 -6.603 -1.315 -1.840 960 HA LYS 123 HA LYS 123 -8.888 -1.775 -0.042 961 HB2 LYS 123 1HB LYS 123 -8.241 -3.276 -2.335 962 HB3 LYS 123 2HB LYS 123 -7.744 -4.257 -0.963 963 HG2 LYS 123 1HG LYS 123 -10.014 -3.971 -0.004 964 HG3 LYS 123 2HG LYS 123 -10.486 -3.127 -1.480 965 HD2 LYS 123 1HD LYS 123 -9.208 -5.787 -1.781 966 HD3 LYS 123 2HD LYS 123 -10.853 -5.747 -1.142 967 HE2 LYS 123 1HE LYS 123 -11.601 -5.548 -3.225 968 HE3 LYS 123 2HE LYS 123 -10.819 -3.970 -3.314 969 HZ1 LYS 123 3HZ LYS 123 -9.203 -6.370 -3.795 970 HZ2 LYS 123 1HZ LYS 123 -9.035 -4.813 -4.435 971 HZ3 LYS 123 2HZ LYS 123 -10.245 -5.840 -5.018 972 H PHE 124 H PHE 124 -8.279 -3.759 1.451 973 HA PHE 124 HA PHE 124 -5.477 -3.577 2.283 974 HB2 PHE 124 1HB PHE 124 -7.879 -3.005 4.013 975 HB3 PHE 124 2HB PHE 124 -6.322 -3.465 4.694 976 HD1 PHE 124 2HD PHE 124 -7.910 -0.963 2.450 977 HD2 PHE 124 1HD PHE 124 -4.720 -1.849 5.125 978 HE1 PHE 124 2HE PHE 124 -7.179 1.384 2.351 979 HE2 PHE 124 1HE PHE 124 -3.985 0.497 5.031 980 HZ PHE 124 HZ PHE 124 -5.214 2.117 3.642 981 H ARG 125 H ARG 125 -5.417 -5.124 4.450 982 HA ARG 125 HA ARG 125 -5.449 -7.712 3.526 983 HB2 ARG 125 1HB ARG 125 -4.231 -7.386 5.484 984 HB3 ARG 125 2HB ARG 125 -5.551 -6.543 6.283 985 HG2 ARG 125 1HG ARG 125 -6.594 -8.478 6.913 986 HG3 ARG 125 2HG ARG 125 -5.915 -9.408 5.576 987 HD2 ARG 125 1HD ARG 125 -4.971 -10.036 7.773 988 HD3 ARG 125 2HD ARG 125 -3.754 -9.448 6.640 989 HE ARG 125 HE ARG 125 -4.410 -7.225 8.018 990 HH11 ARG 125 1HH1 ARG 125 -3.485 -10.434 8.999 991 HH12 ARG 125 2HH1 ARG 125 -2.735 -9.909 10.471 992 HH21 ARG 125 1HH2 ARG 125 -3.426 -6.521 9.952 993 HH22 ARG 125 2HH2 ARG 125 -2.704 -7.683 11.012 994 H ASP 126 H ASP 126 -7.202 -8.580 2.577 995 HA ASP 126 HA ASP 126 -9.817 -8.325 3.852 996 HB2 ASP 126 1HB ASP 126 -9.303 -8.057 1.302 997 HB3 ASP 126 2HB ASP 126 -9.335 -9.818 1.295 998 H ARG 127 H ARG 127 -7.241 -10.560 3.522 999 HA ARG 127 HA ARG 127 -8.581 -12.459 5.212 1000 HB2 ARG 127 1HB ARG 127 -7.900 -14.301 3.402 1001 HB3 ARG 127 2HB ARG 127 -9.490 -13.551 3.431 1002 HG2 ARG 127 1HG ARG 127 -8.705 -13.585 1.177 1003 HG3 ARG 127 2HG ARG 127 -8.688 -11.914 1.746 1004 HD2 ARG 127 1HD ARG 127 -6.194 -13.389 2.202 1005 HD3 ARG 127 2HD ARG 127 -6.611 -13.163 0.504 1006 HE ARG 127 HE ARG 127 -6.939 -10.699 1.665 1007 HH11 ARG 127 1HH1 ARG 127 -4.333 -12.983 1.327 1008 HH12 ARG 127 2HH1 ARG 127 -3.096 -11.770 1.329 1009 HH21 ARG 127 1HH2 ARG 127 -5.319 -9.093 1.669 1010 HH22 ARG 127 2HH2 ARG 127 -3.658 -9.558 1.525 1011 H LEU 128 H LEU 128 -7.161 -13.786 6.292 1012 HA LEU 128 HA LEU 128 -4.567 -14.445 5.530 1013 HB2 LEU 128 1HB LEU 128 -4.744 -11.758 6.219 1014 HB3 LEU 128 2HB LEU 128 -4.073 -12.537 7.650 1015 HG LEU 128 HG LEU 128 -2.917 -12.523 4.866 1016 HD11 LEU 128 1HD1 LEU 128 -2.178 -10.561 5.723 1017 HD12 LEU 128 2HD1 LEU 128 -0.975 -11.623 6.456 1018 HD13 LEU 128 3HD1 LEU 128 -2.369 -11.089 7.396 1019 HD21 LEU 128 3HD2 LEU 128 -2.260 -14.611 5.496 1020 HD22 LEU 128 1HD2 LEU 128 -2.373 -14.251 7.218 1021 HD23 LEU 128 2HD2 LEU 128 -0.994 -13.669 6.285 1022 H LEU 129 H LEU 129 -6.775 -13.684 8.142 1023 HA LEU 129 HA LEU 129 -6.532 -16.189 9.365 1024 HB2 LEU 129 1HB LEU 129 -4.351 -14.626 9.945 1025 HB3 LEU 129 2HB LEU 129 -5.411 -14.333 11.322 1026 HG LEU 129 HG LEU 129 -5.367 -17.120 10.938 1027 HD11 LEU 129 1HD1 LEU 129 -3.426 -17.265 9.724 1028 HD12 LEU 129 2HD1 LEU 129 -2.793 -17.318 11.369 1029 HD13 LEU 129 3HD1 LEU 129 -2.732 -15.815 10.449 1030 HD21 LEU 129 3HD2 LEU 129 -3.999 -16.946 13.111 1031 HD22 LEU 129 1HD2 LEU 129 -5.634 -16.283 13.093 1032 HD23 LEU 129 2HD2 LEU 129 -4.244 -15.206 12.953 1033 H SER 130 H SER 130 -8.525 -14.264 8.595 1034 HA SER 130 HA SER 130 -10.017 -14.189 11.095 1035 HB2 SER 130 1HB SER 130 -8.745 -11.922 10.483 1036 HB3 SER 130 2HB SER 130 -10.166 -11.699 9.464 1037 HG SER 130 HG SER 130 -10.513 -10.833 11.532 1038 H LEU 131 H LEU 131 -9.986 -13.589 7.610 1039 HA LEU 131 HA LEU 131 -11.573 -13.836 5.995 1040 HB2 LEU 131 1HB LEU 131 -13.135 -15.879 7.333 1041 HB3 LEU 131 2HB LEU 131 -12.196 -15.968 5.844 1042 HG LEU 131 HG LEU 131 -11.008 -16.232 8.603 1043 HD11 LEU 131 1HD1 LEU 131 -12.360 -18.183 6.860 1044 HD12 LEU 131 2HD1 LEU 131 -12.111 -18.195 8.605 1045 HD13 LEU 131 3HD1 LEU 131 -10.808 -18.692 7.526 1046 HD21 LEU 131 3HD2 LEU 131 -9.013 -16.419 7.610 1047 HD22 LEU 131 1HD2 LEU 131 -9.786 -15.649 6.224 1048 HD23 LEU 131 2HD2 LEU 131 -9.654 -17.407 6.296 1049 H ASP 132 H ASP 132 -12.179 -12.165 8.467 1050 HA ASP 132 HA ASP 132 -15.112 -12.113 8.194 1051 HB2 ASP 132 1HB ASP 132 -15.154 -10.971 10.377 1052 HB3 ASP 132 2HB ASP 132 -14.383 -12.551 10.484 1053 H GLU 133 H GLU 133 -14.316 -10.945 6.121 1054 HA GLU 133 HA GLU 133 -14.319 -9.017 4.913 1055 HB2 GLU 133 1HB GLU 133 -15.037 -7.541 7.439 1056 HB3 GLU 133 2HB GLU 133 -15.418 -7.103 5.780 1057 HG2 GLU 133 1HG GLU 133 -16.611 -9.553 6.030 1058 HG3 GLU 133 2HG GLU 133 -16.832 -8.850 7.631 1059 HA PRO 134 HA PRO 134 -10.336 -7.247 5.433 1060 HB2 PRO 134 1HB PRO 134 -10.593 -4.962 3.989 1061 HB3 PRO 134 2HB PRO 134 -10.491 -6.562 3.245 1062 HG2 PRO 134 1HG PRO 134 -12.906 -4.884 3.804 1063 HG3 PRO 134 2HG PRO 134 -12.512 -5.831 2.357 1064 HD2 PRO 134 1HD PRO 134 -14.226 -6.717 4.256 1065 HD3 PRO 134 2HD PRO 134 -13.194 -7.813 3.315 1066 H ILE 135 H ILE 135 -9.246 -5.094 6.000 1067 HA ILE 135 HA ILE 135 -10.571 -4.043 8.369 1068 HB ILE 135 HB ILE 135 -8.271 -4.719 8.649 1069 HG12 ILE 135 1HG1 ILE 135 -7.723 -1.855 8.725 1070 HG13 ILE 135 2HG1 ILE 135 -9.309 -2.251 9.378 1071 HG21 ILE 135 1HG2 ILE 135 -6.451 -3.505 7.458 1072 HG22 ILE 135 2HG2 ILE 135 -7.446 -4.516 6.411 1073 HG23 ILE 135 3HG2 ILE 135 -7.680 -2.768 6.431 1074 HD11 ILE 135 3HD1 ILE 135 -7.228 -2.194 10.928 1075 HD12 ILE 135 1HD1 ILE 135 -8.435 -3.466 11.118 1076 HD13 ILE 135 2HD1 ILE 135 -6.926 -3.801 10.267 1077 H ALA 136 H ALA 136 -9.541 -3.005 5.194 1078 HA ALA 136 HA ALA 136 -11.158 -0.626 5.413 1079 HB1 ALA 136 1HB ALA 136 -9.370 0.515 6.266 1080 HB2 ALA 136 2HB ALA 136 -8.186 -0.499 5.440 1081 HB3 ALA 136 3HB ALA 136 -9.076 0.729 4.540 1082 H SER 137 H SER 137 -11.308 0.540 3.344 1083 HA SER 137 HA SER 137 -10.184 -0.336 0.948 1084 HB2 SER 137 1HB SER 137 -12.482 -1.408 0.129 1085 HB3 SER 137 2HB SER 137 -11.220 -2.386 0.879 1086 HG SER 137 HG SER 137 -12.959 -2.905 2.042 1087 H GLU 138 H GLU 138 -10.547 1.193 -0.535 1088 HA GLU 138 HA GLU 138 -13.041 2.505 -0.892 1089 HB2 GLU 138 1HB GLU 138 -12.680 4.607 0.020 1090 HB3 GLU 138 2HB GLU 138 -11.993 3.550 1.244 1091 HG2 GLU 138 1HG GLU 138 -9.850 4.023 -0.386 1092 HG3 GLU 138 2HG GLU 138 -10.713 5.559 -0.433 1093 H GLU 139 H GLU 139 -12.869 4.297 -2.511 1094 HA GLU 139 HA GLU 139 -10.743 3.649 -4.428 1095 HB2 GLU 139 1HB GLU 139 -13.517 4.765 -4.735 1096 HB3 GLU 139 2HB GLU 139 -12.328 4.930 -6.019 1097 HG2 GLU 139 1HG GLU 139 -12.449 2.761 -6.598 1098 HG3 GLU 139 2HG GLU 139 -12.653 2.216 -4.934 1099 H ILE 140 H ILE 140 -9.633 5.302 -5.543 1100 HA ILE 140 HA ILE 140 -9.940 8.039 -4.592 1101 HB ILE 140 HB ILE 140 -7.321 6.551 -4.365 1102 HG12 ILE 140 1HG1 ILE 140 -9.125 7.748 -2.250 1103 HG13 ILE 140 2HG1 ILE 140 -8.880 6.031 -2.546 1104 HG21 ILE 140 1HG2 ILE 140 -7.986 9.439 -3.813 1105 HG22 ILE 140 2HG2 ILE 140 -6.450 8.657 -3.445 1106 HG23 ILE 140 3HG2 ILE 140 -6.972 8.828 -5.121 1107 HD11 ILE 140 3HD1 ILE 140 -7.464 6.321 -0.802 1108 HD12 ILE 140 1HD1 ILE 140 -6.358 6.695 -2.124 1109 HD13 ILE 140 2HD1 ILE 140 -7.119 8.001 -1.214 1110 H THR 141 H THR 141 -9.884 9.339 -6.292 1111 HA THR 141 HA THR 141 -8.762 8.387 -8.803 1112 HB THR 141 HB THR 141 -10.084 11.061 -8.444 1113 HG1 THR 141 1HG THR 141 -11.890 10.084 -7.966 1114 HG21 THR 141 3HG2 THR 141 -9.570 11.042 -10.634 1115 HG22 THR 141 1HG2 THR 141 -10.953 9.960 -10.785 1116 HG23 THR 141 2HG2 THR 141 -9.324 9.296 -10.661 1117 H ILE 142 H ILE 142 -6.544 8.529 -7.890 1118 HA ILE 142 HA ILE 142 -5.389 11.053 -7.278 1119 HB ILE 142 HB ILE 142 -3.888 8.628 -8.252 1120 HG12 ILE 142 1HG1 ILE 142 -4.903 9.249 -5.471 1121 HG13 ILE 142 2HG1 ILE 142 -5.379 7.891 -6.484 1122 HG21 ILE 142 1HG2 ILE 142 -2.690 10.143 -6.116 1123 HG22 ILE 142 2HG2 ILE 142 -2.053 9.759 -7.714 1124 HG23 ILE 142 3HG2 ILE 142 -3.068 11.183 -7.489 1125 HD11 ILE 142 3HD1 ILE 142 -2.844 7.308 -6.407 1126 HD12 ILE 142 1HD1 ILE 142 -2.853 8.333 -4.972 1127 HD13 ILE 142 2HD1 ILE 142 -3.891 6.908 -5.045 1128 H THR 143 H THR 143 -4.794 12.626 -8.605 1129 HA THR 143 HA THR 143 -3.603 12.135 -11.158 1130 HB THR 143 HB THR 143 -6.022 11.838 -11.703 1131 HG1 THR 143 1HG THR 143 -5.636 12.764 -13.588 1132 HG21 THR 143 3HG2 THR 143 -6.296 14.153 -10.107 1133 HG22 THR 143 1HG2 THR 143 -7.562 13.257 -10.945 1134 HG23 THR 143 2HG2 THR 143 -6.754 14.603 -11.749 Start of MODEL 12 1 H1 MET 1 H MET 1 -24.267 -3.104 19.031 2 HA MET 1 HA MET 1 -23.641 -5.071 18.066 3 HB2 MET 1 1HB MET 1 -25.540 -6.146 19.064 4 HB3 MET 1 2HB MET 1 -26.629 -5.458 17.866 5 HG2 MET 1 1HG MET 1 -24.580 -6.952 16.547 6 HG3 MET 1 2HG MET 1 -25.323 -7.941 17.802 7 HE1 MET 1 3HE MET 1 -26.926 -8.836 14.201 8 HE2 MET 1 1HE MET 1 -25.359 -8.043 14.373 9 HE3 MET 1 2HE MET 1 -25.785 -9.392 15.426 10 H ASP 2 H ASP 2 -22.610 -4.880 16.199 11 HA ASP 2 HA ASP 2 -24.123 -4.622 13.731 12 HB2 ASP 2 1HB ASP 2 -22.875 -2.369 14.910 13 HB3 ASP 2 2HB ASP 2 -21.894 -2.829 13.521 14 H GLU 3 H GLU 3 -22.384 -6.600 15.123 15 HA GLU 3 HA GLU 3 -20.817 -8.157 14.579 16 HB2 GLU 3 1HB GLU 3 -22.177 -7.855 12.341 17 HB3 GLU 3 2HB GLU 3 -20.676 -7.136 11.773 18 HG2 GLU 3 1HG GLU 3 -19.491 -9.209 12.427 19 HG3 GLU 3 2HG GLU 3 -21.047 -9.922 12.847 20 H VAL 4 H VAL 4 -19.015 -7.577 15.663 21 HA VAL 4 HA VAL 4 -17.441 -5.335 15.311 22 HB VAL 4 HB VAL 4 -15.567 -6.735 16.296 23 HG11 VAL 4 1HG1 VAL 4 -16.947 -7.143 18.459 24 HG12 VAL 4 2HG1 VAL 4 -16.743 -5.497 17.856 25 HG13 VAL 4 3HG1 VAL 4 -18.250 -6.366 17.562 26 HG21 VAL 4 3HG2 VAL 4 -16.476 -8.881 15.320 27 HG22 VAL 4 1HG2 VAL 4 -15.999 -8.950 17.017 28 HG23 VAL 4 2HG2 VAL 4 -17.705 -8.835 16.585 29 H LEU 5 H LEU 5 -15.480 -4.934 14.238 30 HA LEU 5 HA LEU 5 -15.028 -6.637 11.877 31 HB2 LEU 5 1HB LEU 5 -14.496 -3.689 12.222 32 HB3 LEU 5 2HB LEU 5 -14.150 -4.630 10.773 33 HG LEU 5 HG LEU 5 -16.916 -4.923 11.457 34 HD11 LEU 5 1HD1 LEU 5 -16.095 -2.064 11.011 35 HD12 LEU 5 2HD1 LEU 5 -16.480 -2.724 12.600 36 HD13 LEU 5 3HD1 LEU 5 -17.710 -2.696 11.337 37 HD21 LEU 5 3HD2 LEU 5 -16.088 -5.308 9.250 38 HD22 LEU 5 1HD2 LEU 5 -15.424 -3.677 9.155 39 HD23 LEU 5 2HD2 LEU 5 -17.172 -3.917 9.184 40 H ALA 6 H ALA 6 -12.998 -7.340 11.416 41 HA ALA 6 HA ALA 6 -10.803 -7.868 11.710 42 HB1 ALA 6 1HB ALA 6 -10.557 -5.388 11.459 43 HB2 ALA 6 2HB ALA 6 -10.554 -5.275 13.220 44 HB3 ALA 6 3HB ALA 6 -9.280 -6.169 12.391 45 H THR 7 H THR 7 -12.950 -8.335 13.833 46 HA THR 7 HA THR 7 -13.134 -9.231 15.923 47 HB THR 7 HB THR 7 -10.340 -10.167 16.027 48 HG1 THR 7 1HG THR 7 -12.044 -10.705 13.821 49 HG21 THR 7 3HG2 THR 7 -11.779 -11.246 17.505 50 HG22 THR 7 1HG2 THR 7 -11.687 -12.379 16.158 51 HG23 THR 7 2HG2 THR 7 -13.090 -11.324 16.328 52 H SER 8 H SER 8 -12.434 -6.517 15.930 53 HA SER 8 HA SER 8 -11.605 -4.859 17.254 54 HB2 SER 8 1HB SER 8 -12.897 -6.520 18.875 55 HB3 SER 8 2HB SER 8 -11.279 -6.761 19.532 56 HG SER 8 HG SER 8 -11.756 -5.016 20.616 57 H ILE 9 H ILE 9 -9.696 -6.476 15.755 58 HA ILE 9 HA ILE 9 -7.350 -6.548 17.493 59 HB ILE 9 HB ILE 9 -7.670 -7.392 14.611 60 HG12 ILE 9 1HG1 ILE 9 -8.884 -8.805 16.238 61 HG13 ILE 9 2HG1 ILE 9 -7.554 -9.668 15.475 62 HG21 ILE 9 1HG2 ILE 9 -5.455 -7.383 14.483 63 HG22 ILE 9 2HG2 ILE 9 -5.328 -6.851 16.159 64 HG23 ILE 9 3HG2 ILE 9 -5.401 -8.572 15.784 65 HD11 ILE 9 3HD1 ILE 9 -8.072 -9.290 18.228 66 HD12 ILE 9 1HD1 ILE 9 -6.750 -10.174 17.466 67 HD13 ILE 9 2HD1 ILE 9 -6.567 -8.459 17.837 68 H GLY 10 H GLY 10 -7.720 -5.513 14.106 69 HA2 GLY 10 1HA GLY 10 -5.871 -3.307 14.651 70 HA3 GLY 10 2HA GLY 10 -6.318 -3.914 13.063 71 H THR 11 H THR 11 -6.535 -1.564 12.644 72 HA THR 11 HA THR 11 -9.260 -0.819 12.589 73 HB THR 11 HB THR 11 -8.465 1.437 13.949 74 HG1 THR 11 1HG THR 11 -7.282 0.854 15.667 75 HG21 THR 11 3HG2 THR 11 -9.744 -0.712 15.544 76 HG22 THR 11 1HG2 THR 11 -10.545 -0.238 14.047 77 HG23 THR 11 2HG2 THR 11 -10.238 0.963 15.300 78 H TYR 12 H TYR 12 -9.634 0.815 11.135 79 HA TYR 12 HA TYR 12 -7.298 2.252 10.081 80 HB2 TYR 12 1HB TYR 12 -7.695 0.404 8.560 81 HB3 TYR 12 2HB TYR 12 -9.401 0.821 8.446 82 HD1 TYR 12 1HD TYR 12 -10.107 2.827 7.201 83 HD2 TYR 12 2HD TYR 12 -6.036 1.592 7.298 84 HE1 TYR 12 1HE TYR 12 -9.627 4.277 5.273 85 HE2 TYR 12 2HE TYR 12 -5.545 3.040 5.372 86 HH TYR 12 HH TYR 12 -7.223 5.469 4.420 87 H GLU 13 H GLU 13 -7.757 4.278 10.706 88 HA GLU 13 HA GLU 13 -9.780 5.753 9.421 89 HB2 GLU 13 1HB GLU 13 -11.232 6.304 11.290 90 HB3 GLU 13 2HB GLU 13 -11.243 4.568 11.011 91 HG2 GLU 13 1HG GLU 13 -9.756 4.217 12.879 92 HG3 GLU 13 2HG GLU 13 -9.614 5.957 13.126 93 H ASN 14 H ASN 14 -10.000 8.008 10.485 94 HA ASN 14 HA ASN 14 -8.959 9.956 11.029 95 HB2 ASN 14 1HB ASN 14 -7.254 8.346 12.925 96 HB3 ASN 14 2HB ASN 14 -7.771 10.022 13.083 97 HD21 ASN 14 1HD2 ASN 14 -8.087 7.666 14.850 98 HD22 ASN 14 2HD2 ASN 14 -9.782 7.562 15.166 99 H ARG 15 H ARG 15 -7.859 8.331 8.874 100 HA ARG 15 HA ARG 15 -6.100 8.347 7.432 101 HB2 ARG 15 1HB ARG 15 -6.314 10.858 8.084 102 HB3 ARG 15 2HB ARG 15 -4.846 10.572 9.008 103 HG2 ARG 15 1HG ARG 15 -4.286 11.483 6.854 104 HG3 ARG 15 2HG ARG 15 -3.728 9.811 6.951 105 HD2 ARG 15 1HD ARG 15 -4.841 10.462 4.789 106 HD3 ARG 15 2HD ARG 15 -5.512 9.043 5.593 107 HE ARG 15 HE ARG 15 -6.860 11.481 6.279 108 HH11 ARG 15 1HH1 ARG 15 -6.652 8.895 3.957 109 HH12 ARG 15 2HH1 ARG 15 -8.285 9.081 3.410 110 HH21 ARG 15 1HH2 ARG 15 -9.012 11.735 5.567 111 HH22 ARG 15 2HH2 ARG 15 -9.626 10.696 4.325 112 H THR 16 H THR 16 -5.944 6.515 9.489 113 HA THR 16 HA THR 16 -3.110 6.027 9.562 114 HB THR 16 HB THR 16 -4.584 6.453 12.168 115 HG1 THR 16 1HG THR 16 -3.885 8.418 11.496 116 HG21 THR 16 3HG2 THR 16 -3.068 4.537 12.295 117 HG22 THR 16 1HG2 THR 16 -2.452 5.891 13.240 118 HG23 THR 16 2HG2 THR 16 -1.753 5.527 11.663 119 H LEU 17 H LEU 17 -2.610 3.878 9.916 120 HA LEU 17 HA LEU 17 -4.908 2.075 10.308 121 HB2 LEU 17 1HB LEU 17 -4.206 1.949 8.022 122 HB3 LEU 17 2HB LEU 17 -2.519 1.771 8.500 123 HG LEU 17 HG LEU 17 -3.076 -0.442 9.471 124 HD11 LEU 17 1HD1 LEU 17 -5.161 -1.434 9.268 125 HD12 LEU 17 2HD1 LEU 17 -5.692 -0.301 8.026 126 HD13 LEU 17 3HD1 LEU 17 -5.558 0.229 9.702 127 HD21 LEU 17 3HD2 LEU 17 -3.978 -1.117 6.897 128 HD22 LEU 17 1HD2 LEU 17 -2.323 -1.139 7.505 129 HD23 LEU 17 2HD2 LEU 17 -2.950 0.305 6.708 130 H LEU 18 H LEU 18 -4.480 0.067 11.361 131 HA LEU 18 HA LEU 18 -1.928 -0.118 12.788 132 HB2 LEU 18 1HB LEU 18 -4.154 0.873 14.012 133 HB3 LEU 18 2HB LEU 18 -4.268 -0.842 14.398 134 HG LEU 18 HG LEU 18 -1.857 0.870 14.992 135 HD11 LEU 18 1HD1 LEU 18 -4.399 0.634 16.362 136 HD12 LEU 18 2HD1 LEU 18 -3.060 1.746 16.644 137 HD13 LEU 18 3HD1 LEU 18 -3.046 0.144 17.381 138 HD21 LEU 18 3HD2 LEU 18 -0.855 -0.988 15.707 139 HD22 LEU 18 1HD2 LEU 18 -2.111 -1.877 14.845 140 HD23 LEU 18 2HD2 LEU 18 -2.298 -1.532 16.564 141 H VAL 19 H VAL 19 -1.101 -2.058 12.429 142 HA VAL 19 HA VAL 19 -2.942 -4.323 12.012 143 HB VAL 19 HB VAL 19 -0.905 -5.368 10.841 144 HG11 VAL 19 1HG1 VAL 19 -2.210 -4.986 9.088 145 HG12 VAL 19 2HG1 VAL 19 -2.975 -3.635 9.927 146 HG13 VAL 19 3HG1 VAL 19 -1.532 -3.364 8.949 147 HG21 VAL 19 3HG2 VAL 19 0.770 -3.778 11.578 148 HG22 VAL 19 1HG2 VAL 19 0.638 -3.739 9.820 149 HG23 VAL 19 2HG2 VAL 19 -0.096 -2.461 10.789 150 HA PRO 20 HA PRO 20 -1.232 -6.425 15.465 151 HB2 PRO 20 1HB PRO 20 -1.313 -9.005 14.622 152 HB3 PRO 20 2HB PRO 20 -2.762 -8.092 15.063 153 HG2 PRO 20 1HG PRO 20 -1.630 -8.655 12.349 154 HG3 PRO 20 2HG PRO 20 -3.317 -8.711 12.891 155 HD2 PRO 20 1HD PRO 20 -2.299 -6.615 11.513 156 HD3 PRO 20 2HD PRO 20 -3.576 -6.426 12.731 157 H ASP 21 H ASP 21 0.358 -6.360 12.476 158 HA ASP 21 HA ASP 21 2.792 -7.482 13.701 159 HB2 ASP 21 1HB ASP 21 1.769 -7.750 10.878 160 HB3 ASP 21 2HB ASP 21 3.462 -8.016 11.286 161 H GLY 22 H GLY 22 1.741 -4.707 13.590 162 HA2 GLY 22 1HA GLY 22 3.965 -3.207 13.417 163 HA3 GLY 22 2HA GLY 22 3.490 -3.333 11.729 164 H ARG 23 H ARG 23 3.065 -1.139 11.514 165 HA ARG 23 HA ARG 23 0.433 -0.328 12.231 166 HB2 ARG 23 1HB ARG 23 1.614 0.079 14.380 167 HB3 ARG 23 2HB ARG 23 2.702 1.178 13.543 168 HG2 ARG 23 1HG ARG 23 0.208 2.132 12.875 169 HG3 ARG 23 2HG ARG 23 0.018 1.621 14.553 170 HD2 ARG 23 1HD ARG 23 0.795 3.727 14.916 171 HD3 ARG 23 2HD ARG 23 2.340 2.885 14.796 172 HE ARG 23 HE ARG 23 1.723 3.668 12.233 173 HH11 ARG 23 1HH1 ARG 23 2.214 5.241 15.300 174 HH12 ARG 23 2HH1 ARG 23 2.814 6.708 14.600 175 HH21 ARG 23 1HH2 ARG 23 2.512 5.594 11.299 176 HH22 ARG 23 2HH2 ARG 23 2.982 6.908 12.324 177 H LEU 24 H LEU 24 -0.129 0.505 10.331 178 HA LEU 24 HA LEU 24 1.810 2.034 8.775 179 HB2 LEU 24 1HB LEU 24 -0.835 0.769 8.176 180 HB3 LEU 24 2HB LEU 24 -0.172 2.001 7.104 181 HG LEU 24 HG LEU 24 1.906 0.186 7.432 182 HD11 LEU 24 1HD1 LEU 24 -0.170 -1.216 8.345 183 HD12 LEU 24 2HD1 LEU 24 1.139 -1.943 7.414 184 HD13 LEU 24 3HD1 LEU 24 -0.375 -1.511 6.619 185 HD21 LEU 24 3HD2 LEU 24 -0.104 0.729 5.277 186 HD22 LEU 24 1HD2 LEU 24 1.153 -0.490 5.064 187 HD23 LEU 24 2HD2 LEU 24 1.597 1.192 5.356 188 H ALA 25 H ALA 25 0.556 3.855 7.420 189 HA ALA 25 HA ALA 25 -1.470 5.345 8.651 190 HB1 ALA 25 1HB ALA 25 0.862 7.005 9.117 191 HB2 ALA 25 2HB ALA 25 -0.496 6.638 10.181 192 HB3 ALA 25 3HB ALA 25 0.879 5.537 10.094 193 H LEU 26 H LEU 26 -2.232 6.761 7.201 194 HA LEU 26 HA LEU 26 -0.862 7.071 4.695 195 HB2 LEU 26 1HB LEU 26 -3.433 8.281 5.702 196 HB3 LEU 26 2HB LEU 26 -2.845 8.380 4.043 197 HG LEU 26 HG LEU 26 -4.465 6.708 3.975 198 HD11 LEU 26 1HD1 LEU 26 -1.991 5.084 4.489 199 HD12 LEU 26 2HD1 LEU 26 -2.186 6.085 3.050 200 HD13 LEU 26 3HD1 LEU 26 -3.306 4.757 3.360 201 HD21 LEU 26 3HD2 LEU 26 -4.881 5.082 5.609 202 HD22 LEU 26 1HD2 LEU 26 -4.539 6.551 6.523 203 HD23 LEU 26 2HD2 LEU 26 -3.300 5.306 6.361 204 H THR 27 H THR 27 0.906 8.351 4.814 205 HA THR 27 HA THR 27 1.001 10.754 6.359 206 HB THR 27 HB THR 27 3.127 11.127 4.883 207 HG1 THR 27 1HG THR 27 2.974 8.340 4.532 208 HG21 THR 27 3HG2 THR 27 4.094 10.440 6.767 209 HG22 THR 27 1HG2 THR 27 3.799 8.759 6.323 210 HG23 THR 27 2HG2 THR 27 2.590 9.653 7.244 211 H ALA 28 H ALA 28 1.213 10.223 2.833 212 HA ALA 28 HA ALA 28 -0.697 12.100 2.090 213 HB1 ALA 28 1HB ALA 28 1.609 13.577 1.298 214 HB2 ALA 28 2HB ALA 28 0.246 14.097 2.290 215 HB3 ALA 28 3HB ALA 28 1.651 13.346 3.046 216 H LEU 29 H LEU 29 -1.076 10.492 0.558 217 HA LEU 29 HA LEU 29 0.771 9.334 -1.158 218 HB2 LEU 29 1HB LEU 29 -2.070 10.009 -1.886 219 HB3 LEU 29 2HB LEU 29 -1.076 8.710 -2.541 220 HG LEU 29 HG LEU 29 -1.833 8.769 0.362 221 HD11 LEU 29 1HD1 LEU 29 -3.547 6.973 -0.792 222 HD12 LEU 29 2HD1 LEU 29 -3.578 8.319 -1.931 223 HD13 LEU 29 3HD1 LEU 29 -3.977 8.590 -0.235 224 HD21 LEU 29 3HD2 LEU 29 -1.273 6.460 -1.489 225 HD22 LEU 29 1HD2 LEU 29 -1.387 6.434 0.271 226 HD23 LEU 29 2HD2 LEU 29 -0.035 7.253 -0.513 227 H HIS 30 H HIS 30 1.803 9.957 -2.961 228 HA HIS 30 HA HIS 30 1.021 12.512 -4.198 229 HB2 HIS 30 1HB HIS 30 3.847 11.560 -3.686 230 HB3 HIS 30 2HB HIS 30 3.401 13.036 -4.537 231 HD1 HIS 30 1HD HIS 30 1.474 14.398 -2.766 232 HD2 HIS 30 2HD HIS 30 4.718 12.295 -1.245 233 HE1 HIS 30 1HE HIS 30 1.867 15.338 -0.466 234 H LYS 31 H LYS 31 1.274 12.673 -6.421 235 HA LYS 31 HA LYS 31 1.362 10.127 -7.815 236 HB2 LYS 31 1HB LYS 31 0.484 12.899 -8.494 237 HB3 LYS 31 2HB LYS 31 0.911 11.810 -9.808 238 HG2 LYS 31 1HG LYS 31 -0.718 10.162 -8.798 239 HG3 LYS 31 2HG LYS 31 -1.264 11.483 -7.763 240 HD2 LYS 31 1HD LYS 31 -2.721 11.831 -9.456 241 HD3 LYS 31 2HD LYS 31 -1.358 12.703 -10.161 242 HE2 LYS 31 1HE LYS 31 -2.301 9.911 -10.757 243 HE3 LYS 31 2HE LYS 31 -2.167 11.279 -11.861 244 HZ1 LYS 31 3HZ LYS 31 0.074 9.782 -10.617 245 HZ2 LYS 31 1HZ LYS 31 0.263 11.181 -11.550 246 HZ3 LYS 31 2HZ LYS 31 -0.366 9.776 -12.251 247 H GLY 32 H GLY 32 2.405 10.425 -10.169 248 HA2 GLY 32 1HA GLY 32 4.810 11.957 -10.292 249 HA3 GLY 32 2HA GLY 32 5.145 10.281 -9.879 250 H LYS 33 H LYS 33 6.338 10.197 -11.882 251 HA LYS 33 HA LYS 33 4.582 9.536 -14.130 252 HB2 LYS 33 1HB LYS 33 5.768 10.819 -15.702 253 HB3 LYS 33 2HB LYS 33 5.556 11.897 -14.328 254 HG2 LYS 33 1HG LYS 33 7.839 11.417 -13.599 255 HG3 LYS 33 2HG LYS 33 8.051 10.340 -14.982 256 HD2 LYS 33 1HD LYS 33 7.198 12.595 -16.217 257 HD3 LYS 33 2HD LYS 33 8.073 13.281 -14.846 258 HE2 LYS 33 1HE LYS 33 9.198 11.225 -16.744 259 HE3 LYS 33 2HE LYS 33 9.472 12.962 -16.876 260 HZ1 LYS 33 3HZ LYS 33 11.252 12.531 -15.616 261 HZ2 LYS 33 1HZ LYS 33 10.657 11.042 -15.077 262 HZ3 LYS 33 2HZ LYS 33 10.160 12.473 -14.325 263 H ASP 34 H ASP 34 5.392 7.965 -15.535 264 HA ASP 34 HA ASP 34 7.829 6.598 -14.593 265 HB2 ASP 34 1HB ASP 34 6.847 4.499 -14.997 266 HB3 ASP 34 2HB ASP 34 5.566 5.435 -14.230 267 H TYR 35 H TYR 35 7.814 4.699 -16.736 268 HA TYR 35 HA TYR 35 9.422 5.970 -18.599 269 HB2 TYR 35 1HB TYR 35 8.859 3.941 -20.068 270 HB3 TYR 35 2HB TYR 35 9.589 3.626 -18.497 271 HD1 TYR 35 1HD TYR 35 6.384 3.613 -20.353 272 HD2 TYR 35 2HD TYR 35 8.461 2.335 -16.867 273 HE1 TYR 35 1HE TYR 35 4.508 2.127 -19.788 274 HE2 TYR 35 2HE TYR 35 6.592 0.844 -16.292 275 HH TYR 35 HH TYR 35 4.702 -0.139 -17.110 276 H GLN 36 H GLN 36 5.944 5.516 -18.579 277 HA GLN 36 HA GLN 36 5.690 6.693 -21.235 278 HB2 GLN 36 1HB GLN 36 3.913 5.171 -19.411 279 HB3 GLN 36 2HB GLN 36 3.140 6.348 -20.465 280 HG2 GLN 36 1HG GLN 36 4.876 4.976 -22.132 281 HG3 GLN 36 2HG GLN 36 4.205 3.735 -21.076 282 HE21 GLN 36 1HE2 GLN 36 1.852 3.654 -20.898 283 HE22 GLN 36 2HE2 GLN 36 0.899 4.063 -22.280 284 H GLY 37 H GLY 37 6.542 8.137 -18.690 285 HA2 GLY 37 1HA GLY 37 5.971 10.054 -17.493 286 HA3 GLY 37 2HA GLY 37 5.808 10.661 -19.134 287 H LYS 38 H LYS 38 3.794 8.407 -17.262 288 HA LYS 38 HA LYS 38 1.691 10.317 -16.908 289 HB2 LYS 38 1HB LYS 38 1.697 8.596 -19.271 290 HB3 LYS 38 2HB LYS 38 0.238 8.425 -18.304 291 HG2 LYS 38 1HG LYS 38 -0.428 10.590 -18.675 292 HG3 LYS 38 2HG LYS 38 1.214 11.155 -18.990 293 HD2 LYS 38 1HD LYS 38 -0.341 9.324 -20.815 294 HD3 LYS 38 2HD LYS 38 -0.231 11.075 -21.016 295 HE2 LYS 38 1HE LYS 38 2.329 10.664 -20.954 296 HE3 LYS 38 2HE LYS 38 1.901 8.993 -21.316 297 HZ1 LYS 38 3HZ LYS 38 0.449 10.570 -23.065 298 HZ2 LYS 38 1HZ LYS 38 1.771 9.581 -23.433 299 HZ3 LYS 38 2HZ LYS 38 2.013 11.213 -23.062 300 HA PRO 39 HA PRO 39 0.157 6.106 -15.186 301 HB2 PRO 39 1HB PRO 39 1.470 3.850 -15.933 302 HB3 PRO 39 2HB PRO 39 0.120 4.525 -16.853 303 HG2 PRO 39 1HG PRO 39 3.062 4.783 -17.342 304 HG3 PRO 39 2HG PRO 39 1.757 4.485 -18.504 305 HD2 PRO 39 1HD PRO 39 2.864 6.931 -18.151 306 HD3 PRO 39 2HD PRO 39 1.158 6.709 -18.592 307 H MET 40 H MET 40 1.167 7.114 -13.356 308 HA MET 40 HA MET 40 3.061 5.407 -12.054 309 HB2 MET 40 1HB MET 40 4.507 6.880 -13.502 310 HB3 MET 40 2HB MET 40 3.938 8.252 -12.560 311 HG2 MET 40 1HG MET 40 6.086 7.552 -11.750 312 HG3 MET 40 2HG MET 40 4.858 7.214 -10.532 313 HE1 MET 40 3HE MET 40 4.795 3.920 -9.709 314 HE2 MET 40 1HE MET 40 6.346 4.613 -9.235 315 HE3 MET 40 2HE MET 40 4.904 5.627 -9.277 316 H PHE 41 H PHE 41 3.045 5.657 -9.841 317 HA PHE 41 HA PHE 41 1.836 7.974 -8.617 318 HB2 PHE 41 1HB PHE 41 -0.244 7.037 -8.878 319 HB3 PHE 41 2HB PHE 41 0.382 5.392 -8.903 320 HD1 PHE 41 2HD PHE 41 -0.702 8.168 -6.777 321 HD2 PHE 41 1HD PHE 41 0.700 4.150 -6.870 322 HE1 PHE 41 2HE PHE 41 -1.370 7.884 -4.427 323 HE2 PHE 41 1HE PHE 41 0.032 3.859 -4.520 324 HZ PHE 41 HZ PHE 41 -1.003 5.728 -3.294 325 H TYR 42 H TYR 42 2.075 8.011 -6.322 326 HA TYR 42 HA TYR 42 3.871 5.946 -5.242 327 HB2 TYR 42 1HB TYR 42 4.149 8.914 -4.734 328 HB3 TYR 42 2HB TYR 42 5.207 7.640 -4.137 329 HD1 TYR 42 2HD TYR 42 5.768 5.996 -6.418 330 HD2 TYR 42 1HD TYR 42 5.312 10.223 -6.238 331 HE1 TYR 42 2HE TYR 42 7.182 6.228 -8.418 332 HE2 TYR 42 1HE TYR 42 6.723 10.466 -8.237 333 HH TYR 42 HH TYR 42 7.918 9.425 -9.786 334 H VAL 43 H VAL 43 3.062 5.040 -3.481 335 HA VAL 43 HA VAL 43 0.913 6.388 -2.031 336 HB VAL 43 HB VAL 43 0.329 4.169 -2.588 337 HG11 VAL 43 1HG1 VAL 43 2.999 3.334 -1.461 338 HG12 VAL 43 2HG1 VAL 43 1.735 2.222 -1.990 339 HG13 VAL 43 3HG1 VAL 43 2.508 3.299 -3.154 340 HG21 VAL 43 3HG2 VAL 43 -0.476 3.615 -0.574 341 HG22 VAL 43 1HG2 VAL 43 1.137 3.419 0.113 342 HG23 VAL 43 2HG2 VAL 43 0.406 5.021 0.021 343 H LEU 44 H LEU 44 2.023 7.894 -0.791 344 HA LEU 44 HA LEU 44 4.293 7.236 0.796 345 HB2 LEU 44 1HB LEU 44 2.399 9.556 0.706 346 HB3 LEU 44 2HB LEU 44 3.619 9.433 1.971 347 HG LEU 44 HG LEU 44 4.326 10.900 0.141 348 HD11 LEU 44 1HD1 LEU 44 6.025 8.444 -0.030 349 HD12 LEU 44 2HD1 LEU 44 5.887 9.339 1.483 350 HD13 LEU 44 3HD1 LEU 44 6.511 10.138 0.041 351 HD21 LEU 44 3HD2 LEU 44 4.482 10.266 -2.061 352 HD22 LEU 44 1HD2 LEU 44 3.038 9.385 -1.562 353 HD23 LEU 44 2HD2 LEU 44 4.586 8.548 -1.674 354 H PHE 45 H PHE 45 4.088 5.708 2.317 355 HA PHE 45 HA PHE 45 1.935 6.045 4.298 356 HB2 PHE 45 1HB PHE 45 1.814 3.623 4.552 357 HB3 PHE 45 2HB PHE 45 1.517 4.069 2.875 358 HD1 PHE 45 1HD PHE 45 4.071 2.735 5.192 359 HD2 PHE 45 2HD PHE 45 2.860 3.235 1.142 360 HE1 PHE 45 1HE PHE 45 5.851 1.195 4.472 361 HE2 PHE 45 2HE PHE 45 4.636 1.696 0.417 362 HZ PHE 45 HZ PHE 45 6.134 0.673 2.082 363 H GLU 46 H GLU 46 2.440 5.379 6.457 364 HA GLU 46 HA GLU 46 5.328 5.490 7.022 365 HB2 GLU 46 1HB GLU 46 3.760 7.353 7.847 366 HB3 GLU 46 2HB GLU 46 3.154 6.164 8.991 367 HG2 GLU 46 1HG GLU 46 5.480 5.871 9.821 368 HG3 GLU 46 2HG GLU 46 5.968 7.201 8.773 369 H LEU 47 H LEU 47 5.313 3.138 6.631 370 HA LEU 47 HA LEU 47 3.950 1.471 8.559 371 HB2 LEU 47 1HB LEU 47 4.199 0.667 6.299 372 HB3 LEU 47 2HB LEU 47 5.951 0.839 6.396 373 HG LEU 47 HG LEU 47 4.861 -1.512 6.601 374 HD11 LEU 47 1HD1 LEU 47 6.844 -2.195 7.402 375 HD12 LEU 47 2HD1 LEU 47 6.749 -1.155 8.822 376 HD13 LEU 47 3HD1 LEU 47 7.274 -0.489 7.276 377 HD21 LEU 47 3HD2 LEU 47 3.911 -2.142 8.569 378 HD22 LEU 47 1HD2 LEU 47 3.419 -0.448 8.561 379 HD23 LEU 47 2HD2 LEU 47 4.813 -0.956 9.515 380 H THR 48 H THR 48 4.694 1.202 10.547 381 HA THR 48 HA THR 48 7.551 1.562 11.081 382 HB THR 48 HB THR 48 5.407 1.196 13.166 383 HG1 THR 48 1HG THR 48 6.198 3.555 11.788 384 HG21 THR 48 3HG2 THR 48 7.498 1.039 14.184 385 HG22 THR 48 1HG2 THR 48 7.090 2.743 14.382 386 HG23 THR 48 2HG2 THR 48 8.216 2.247 13.118 387 H ASN 49 H ASN 49 8.646 -0.285 10.761 388 HA ASN 49 HA ASN 49 7.643 -2.879 10.999 389 HB2 ASN 49 1HB ASN 49 9.761 -2.189 9.822 390 HB3 ASN 49 2HB ASN 49 10.526 -2.068 11.403 391 HD21 ASN 49 1HD2 ASN 49 12.012 -3.671 10.830 392 HD22 ASN 49 2HD2 ASN 49 11.570 -5.340 10.780 393 H THR 50 H THR 50 6.651 -3.486 12.841 394 HA THR 50 HA THR 50 7.723 -2.812 15.435 395 HB THR 50 HB THR 50 5.257 -2.962 14.956 396 HG1 THR 50 1HG THR 50 5.909 -4.796 17.000 397 HG21 THR 50 3HG2 THR 50 5.782 -5.935 15.051 398 HG22 THR 50 1HG2 THR 50 5.343 -5.028 13.604 399 HG23 THR 50 2HG2 THR 50 4.205 -5.153 14.947 400 H THR 51 H THR 51 8.093 -5.348 13.185 401 HA THR 51 HA THR 51 8.588 -7.522 14.907 402 HB THR 51 HB THR 51 9.575 -8.636 13.045 403 HG1 THR 51 1HG THR 51 10.439 -7.569 11.319 404 HG21 THR 51 3HG2 THR 51 7.164 -8.251 12.851 405 HG22 THR 51 1HG2 THR 51 7.935 -8.263 11.265 406 HG23 THR 51 2HG2 THR 51 7.471 -6.733 12.009 407 H GLU 52 H GLU 52 11.057 -8.520 14.301 408 HA GLU 52 HA GLU 52 12.959 -6.512 15.298 409 HB2 GLU 52 1HB GLU 52 12.516 -9.298 16.372 410 HB3 GLU 52 2HB GLU 52 13.960 -8.355 16.714 411 HG2 GLU 52 1HG GLU 52 12.012 -6.592 17.383 412 HG3 GLU 52 2HG GLU 52 11.252 -8.126 17.804 413 H LYS 53 H LYS 53 12.378 -7.853 12.659 414 HA LYS 53 HA LYS 53 15.037 -9.044 12.217 415 HB2 LYS 53 1HB LYS 53 12.482 -9.484 10.659 416 HB3 LYS 53 2HB LYS 53 14.043 -10.195 10.271 417 HG2 LYS 53 1HG LYS 53 13.630 -10.883 12.921 418 HG3 LYS 53 2HG LYS 53 12.040 -11.049 12.173 419 HD2 LYS 53 1HD LYS 53 13.238 -12.349 10.328 420 HD3 LYS 53 2HD LYS 53 14.612 -12.420 11.435 421 HE2 LYS 53 1HE LYS 53 13.337 -14.430 11.691 422 HE3 LYS 53 2HE LYS 53 13.105 -13.442 13.133 423 HZ1 LYS 53 3HZ LYS 53 10.934 -13.435 12.775 424 HZ2 LYS 53 1HZ LYS 53 11.150 -14.483 11.465 425 HZ3 LYS 53 2HZ LYS 53 11.134 -12.810 11.216 426 H THR 54 H THR 54 16.026 -8.613 10.121 427 HA THR 54 HA THR 54 15.437 -5.877 9.231 428 HB THR 54 HB THR 54 17.928 -7.306 8.410 429 HG1 THR 54 1HG THR 54 17.631 -6.030 10.940 430 HG21 THR 54 3HG2 THR 54 17.653 -5.134 7.495 431 HG22 THR 54 1HG2 THR 54 18.834 -4.972 8.794 432 HG23 THR 54 2HG2 THR 54 17.165 -4.463 9.050 433 H GLN 55 H GLN 55 14.069 -8.400 8.349 434 HA GLN 55 HA GLN 55 14.858 -9.125 5.766 435 HB2 GLN 55 1HB GLN 55 12.021 -9.050 6.795 436 HB3 GLN 55 2HB GLN 55 12.656 -10.065 5.507 437 HG2 GLN 55 1HG GLN 55 13.641 -11.524 6.947 438 HG3 GLN 55 2HG GLN 55 13.896 -10.299 8.189 439 HE21 GLN 55 1HE2 GLN 55 11.576 -9.326 8.825 440 HE22 GLN 55 2HE2 GLN 55 10.455 -10.540 9.330 441 H ASN 56 H ASN 56 13.040 -8.759 3.920 442 HA ASN 56 HA ASN 56 13.464 -6.177 2.953 443 HB2 ASN 56 1HB ASN 56 11.743 -8.472 2.180 444 HB3 ASN 56 2HB ASN 56 11.314 -6.899 1.513 445 HD21 ASN 56 1HD2 ASN 56 13.569 -5.686 0.948 446 HD22 ASN 56 2HD2 ASN 56 14.538 -6.596 -0.155 447 H ILE 57 H ILE 57 11.307 -4.956 2.092 448 HA ILE 57 HA ILE 57 9.837 -4.260 4.545 449 HB ILE 57 HB ILE 57 10.048 -2.510 2.108 450 HG12 ILE 57 1HG1 ILE 57 11.925 -2.653 4.475 451 HG13 ILE 57 2HG1 ILE 57 12.328 -2.954 2.788 452 HG21 ILE 57 1HG2 ILE 57 8.784 -1.114 3.281 453 HG22 ILE 57 2HG2 ILE 57 8.628 -2.350 4.527 454 HG23 ILE 57 3HG2 ILE 57 9.922 -1.157 4.627 455 HD11 ILE 57 3HD1 ILE 57 12.300 -0.487 4.248 456 HD12 ILE 57 1HD1 ILE 57 12.932 -0.834 2.639 457 HD13 ILE 57 2HD1 ILE 57 11.237 -0.388 2.844 458 H GLN 58 H GLN 58 9.343 -4.233 1.008 459 HA GLN 58 HA GLN 58 6.606 -4.031 0.949 460 HB2 GLN 58 1HB GLN 58 6.777 -4.487 -1.265 461 HB3 GLN 58 2HB GLN 58 8.498 -4.331 -0.942 462 HG2 GLN 58 1HG GLN 58 8.419 -6.863 -0.485 463 HG3 GLN 58 2HG GLN 58 6.874 -6.809 -1.332 464 HE21 GLN 58 1HE2 GLN 58 7.373 -4.959 -3.278 465 HE22 GLN 58 2HE2 GLN 58 8.581 -5.557 -4.358 466 H LEU 59 H LEU 59 8.543 -6.774 1.827 467 HA LEU 59 HA LEU 59 6.802 -8.885 1.457 468 HB2 LEU 59 1HB LEU 59 9.197 -8.401 2.879 469 HB3 LEU 59 2HB LEU 59 8.080 -9.187 3.992 470 HG LEU 59 HG LEU 59 8.772 -10.298 1.279 471 HD11 LEU 59 1HD1 LEU 59 10.004 -10.895 3.964 472 HD12 LEU 59 2HD1 LEU 59 10.809 -10.198 2.558 473 HD13 LEU 59 3HD1 LEU 59 10.235 -11.865 2.509 474 HD21 LEU 59 3HD2 LEU 59 7.600 -11.642 3.708 475 HD22 LEU 59 1HD2 LEU 59 7.791 -12.319 2.090 476 HD23 LEU 59 2HD2 LEU 59 6.640 -11.012 2.369 477 H MET 60 H MET 60 6.713 -6.346 3.842 478 HA MET 60 HA MET 60 4.574 -7.675 5.321 479 HB2 MET 60 1HB MET 60 5.823 -4.979 5.864 480 HB3 MET 60 2HB MET 60 4.818 -5.923 6.955 481 HG2 MET 60 1HG MET 60 6.512 -7.536 7.274 482 HG3 MET 60 2HG MET 60 7.468 -6.898 5.939 483 HE1 MET 60 3HE MET 60 6.721 -4.373 9.716 484 HE2 MET 60 1HE MET 60 5.765 -4.211 8.242 485 HE3 MET 60 2HE MET 60 5.691 -5.702 9.182 486 H ILE 61 H ILE 61 5.154 -4.681 3.502 487 HA ILE 61 HA ILE 61 2.641 -3.529 3.749 488 HB ILE 61 HB ILE 61 4.430 -3.422 1.317 489 HG12 ILE 61 1HG1 ILE 61 5.609 -2.782 3.381 490 HG13 ILE 61 2HG1 ILE 61 5.365 -1.395 2.325 491 HG21 ILE 61 1HG2 ILE 61 3.255 -1.037 1.352 492 HG22 ILE 61 2HG2 ILE 61 2.546 -2.425 0.529 493 HG23 ILE 61 3HG2 ILE 61 1.980 -1.969 2.136 494 HD11 ILE 61 3HD1 ILE 61 3.673 -2.066 4.720 495 HD12 ILE 61 1HD1 ILE 61 4.970 -0.871 4.684 496 HD13 ILE 61 2HD1 ILE 61 3.527 -0.638 3.696 497 H GLN 62 H GLN 62 3.791 -5.940 1.431 498 HA GLN 62 HA GLN 62 1.461 -6.005 -0.161 499 HB2 GLN 62 1HB GLN 62 3.729 -7.924 0.282 500 HB3 GLN 62 2HB GLN 62 2.360 -8.367 -0.728 501 HG2 GLN 62 1HG GLN 62 2.795 -6.373 -2.122 502 HG3 GLN 62 2HG GLN 62 4.229 -6.047 -1.149 503 HE21 GLN 62 1HE2 GLN 62 5.213 -8.590 -0.807 504 HE22 GLN 62 2HE2 GLN 62 5.723 -9.219 -2.333 505 H SER 63 H SER 63 2.057 -7.104 2.987 506 HA SER 63 HA SER 63 -0.132 -9.055 2.874 507 HB2 SER 63 1HB SER 63 2.310 -9.240 4.093 508 HB3 SER 63 2HB SER 63 1.289 -8.710 5.430 509 HG SER 63 HG SER 63 1.387 -11.018 5.161 510 H PHE 64 H PHE 64 0.699 -5.916 4.021 511 HA PHE 64 HA PHE 64 -1.537 -5.794 5.877 512 HB2 PHE 64 1HB PHE 64 0.587 -3.793 5.099 513 HB3 PHE 64 2HB PHE 64 -0.730 -3.419 6.205 514 HD1 PHE 64 2HD PHE 64 -0.901 -5.931 7.744 515 HD2 PHE 64 1HD PHE 64 2.485 -3.711 6.429 516 HE1 PHE 64 2HE PHE 64 0.415 -6.837 9.615 517 HE2 PHE 64 1HE PHE 64 3.807 -4.615 8.298 518 HZ PHE 64 HZ PHE 64 2.772 -6.178 9.894 519 H MET 65 H MET 65 -0.619 -4.618 2.703 520 HA MET 65 HA MET 65 -3.390 -3.751 2.289 521 HB2 MET 65 1HB MET 65 -2.271 -1.690 2.695 522 HB3 MET 65 2HB MET 65 -0.905 -2.154 1.690 523 HG2 MET 65 1HG MET 65 -2.342 -2.068 -0.290 524 HG3 MET 65 2HG MET 65 -3.696 -1.576 0.725 525 HE1 MET 65 3HE MET 65 0.103 -0.221 1.179 526 HE2 MET 65 1HE MET 65 -0.153 -0.798 -0.468 527 HE3 MET 65 2HE MET 65 0.060 0.925 -0.161 528 H GLU 66 H GLU 66 -4.217 -4.184 0.289 529 HA GLU 66 HA GLU 66 -2.387 -5.376 -1.686 530 HB2 GLU 66 1HB GLU 66 -4.537 -6.641 -0.293 531 HB3 GLU 66 2HB GLU 66 -4.971 -6.520 -1.992 532 HG2 GLU 66 1HG GLU 66 -3.356 -7.959 -2.657 533 HG3 GLU 66 2HG GLU 66 -2.247 -7.484 -1.372 534 H VAL 67 H VAL 67 -2.292 -3.607 -3.017 535 HA VAL 67 HA VAL 67 -4.665 -2.195 -3.832 536 HB VAL 67 HB VAL 67 -1.979 -1.981 -5.169 537 HG11 VAL 67 1HG1 VAL 67 -2.782 -0.122 -6.128 538 HG12 VAL 67 2HG1 VAL 67 -4.366 -0.774 -5.704 539 HG13 VAL 67 3HG1 VAL 67 -3.587 0.409 -4.652 540 HG21 VAL 67 3HG2 VAL 67 -1.999 0.043 -3.336 541 HG22 VAL 67 1HG2 VAL 67 -2.708 -1.288 -2.421 542 HG23 VAL 67 2HG2 VAL 67 -1.117 -1.474 -3.161 543 H SER 68 H SER 68 -5.866 -2.499 -5.612 544 HA SER 68 HA SER 68 -4.846 -4.088 -7.826 545 HB2 SER 68 1HB SER 68 -7.112 -5.391 -7.739 546 HB3 SER 68 2HB SER 68 -5.779 -5.905 -6.705 547 HG SER 68 HG SER 68 -8.142 -5.372 -5.894 548 H GLN 69 H GLN 69 -6.158 -3.934 -9.744 549 HA GLN 69 HA GLN 69 -8.351 -2.043 -9.756 550 HB2 GLN 69 1HB GLN 69 -5.731 -1.472 -11.139 551 HB3 GLN 69 2HB GLN 69 -7.236 -0.665 -11.559 552 HG2 GLN 69 1HG GLN 69 -7.402 0.219 -9.293 553 HG3 GLN 69 2HG GLN 69 -5.901 -0.599 -8.862 554 HE21 GLN 69 1HE2 GLN 69 -7.267 1.797 -11.064 555 HE22 GLN 69 2HE2 GLN 69 -5.832 2.749 -11.205 556 H THR 70 H THR 70 -9.678 -2.238 -11.539 557 HA THR 70 HA THR 70 -9.700 -4.699 -12.878 558 HB THR 70 HB THR 70 -11.088 -2.250 -13.944 559 HG1 THR 70 1HG THR 70 -11.932 -3.885 -11.764 560 HG21 THR 70 3HG2 THR 70 -11.908 -5.154 -13.796 561 HG22 THR 70 1HG2 THR 70 -11.259 -4.350 -15.225 562 HG23 THR 70 2HG2 THR 70 -12.815 -3.850 -14.563 563 H VAL 71 H VAL 71 -9.342 -5.235 -15.062 564 HA VAL 71 HA VAL 71 -7.604 -3.363 -16.534 565 HB VAL 71 HB VAL 71 -6.633 -5.614 -17.492 566 HG11 VAL 71 1HG1 VAL 71 -5.477 -3.786 -16.181 567 HG12 VAL 71 2HG1 VAL 71 -5.786 -4.752 -14.737 568 HG13 VAL 71 3HG1 VAL 71 -4.783 -5.400 -16.036 569 HG21 VAL 71 3HG2 VAL 71 -6.955 -6.646 -14.747 570 HG22 VAL 71 1HG2 VAL 71 -8.383 -6.731 -15.779 571 HG23 VAL 71 2HG2 VAL 71 -6.882 -7.508 -16.284 572 H HIS 72 H HIS 72 -8.557 -6.561 -17.594 573 HA HIS 72 HA HIS 72 -9.843 -5.383 -19.926 574 HB2 HIS 72 1HB HIS 72 -8.619 -7.986 -19.262 575 HB3 HIS 72 2HB HIS 72 -10.024 -8.068 -20.320 576 HD1 HIS 72 1HD HIS 72 -9.732 -7.293 -22.718 577 HD2 HIS 72 2HD HIS 72 -6.391 -6.582 -20.353 578 HE1 HIS 72 1HE HIS 72 -7.911 -6.610 -24.313 579 H GLY 73 H GLY 73 -11.095 -5.345 -17.228 580 HA2 GLY 73 1HA GLY 73 -13.532 -5.210 -17.095 581 HA3 GLY 73 2HA GLY 73 -13.594 -6.731 -17.972 582 H LYS 74 H LYS 74 -11.096 -6.689 -15.711 583 HA LYS 74 HA LYS 74 -12.711 -7.627 -13.488 584 HB2 LYS 74 1HB LYS 74 -11.141 -9.414 -15.248 585 HB3 LYS 74 2HB LYS 74 -10.937 -9.670 -13.520 586 HG2 LYS 74 1HG LYS 74 -13.725 -9.385 -14.234 587 HG3 LYS 74 2HG LYS 74 -12.945 -10.693 -15.127 588 HD2 LYS 74 1HD LYS 74 -12.300 -11.794 -13.138 589 HD3 LYS 74 2HD LYS 74 -12.669 -10.381 -12.147 590 HE2 LYS 74 1HE LYS 74 -15.030 -10.650 -12.575 591 HE3 LYS 74 2HE LYS 74 -14.710 -11.974 -13.694 592 HZ1 LYS 74 3HZ LYS 74 -13.778 -12.167 -10.911 593 HZ2 LYS 74 1HZ LYS 74 -14.181 -13.403 -11.993 594 HZ3 LYS 74 2HZ LYS 74 -15.401 -12.482 -11.268 595 H ALA 75 H ALA 75 -11.631 -7.596 -11.512 596 HA ALA 75 HA ALA 75 -9.647 -5.696 -11.152 597 HB1 ALA 75 1HB ALA 75 -9.380 -6.660 -8.882 598 HB2 ALA 75 2HB ALA 75 -11.062 -6.371 -9.330 599 HB3 ALA 75 3HB ALA 75 -10.406 -8.008 -9.373 600 H GLN 76 H GLN 76 -7.432 -5.803 -10.699 601 HA GLN 76 HA GLN 76 -6.050 -8.334 -11.095 602 HB2 GLN 76 1HB GLN 76 -6.047 -7.657 -13.343 603 HB3 GLN 76 2HB GLN 76 -5.806 -5.965 -12.927 604 HG2 GLN 76 1HG GLN 76 -3.645 -7.732 -12.057 605 HG3 GLN 76 2HG GLN 76 -3.870 -7.660 -13.804 606 HE21 GLN 76 1HE2 GLN 76 -3.254 -5.877 -14.896 607 HE22 GLN 76 2HE2 GLN 76 -2.524 -4.492 -14.166 608 H ASN 77 H ASN 77 -4.121 -8.460 -10.034 609 HA ASN 77 HA ASN 77 -3.592 -6.474 -8.047 610 HB2 ASN 77 1HB ASN 77 -2.076 -7.990 -7.136 611 HB3 ASN 77 2HB ASN 77 -3.228 -9.051 -7.940 612 HD21 ASN 77 1HD2 ASN 77 -2.643 -9.601 -10.237 613 HD22 ASN 77 2HD2 ASN 77 -0.982 -9.958 -10.551 614 H LEU 78 H LEU 78 -2.260 -4.787 -8.141 615 HA LEU 78 HA LEU 78 -0.715 -4.343 -10.557 616 HB2 LEU 78 1HB LEU 78 -0.903 -2.522 -8.174 617 HB3 LEU 78 2HB LEU 78 -0.479 -2.103 -9.833 618 HG LEU 78 HG LEU 78 -3.217 -3.087 -9.065 619 HD11 LEU 78 1HD1 LEU 78 -3.954 -0.951 -8.631 620 HD12 LEU 78 2HD1 LEU 78 -2.602 -0.196 -9.473 621 HD13 LEU 78 3HD1 LEU 78 -2.355 -0.927 -7.887 622 HD21 LEU 78 3HD2 LEU 78 -2.467 -1.321 -11.367 623 HD22 LEU 78 1HD2 LEU 78 -3.889 -2.346 -11.165 624 HD23 LEU 78 2HD2 LEU 78 -2.313 -3.075 -11.476 625 H GLN 79 H GLN 79 1.444 -4.460 -10.734 626 HA GLN 79 HA GLN 79 2.952 -5.223 -8.330 627 HB2 GLN 79 1HB GLN 79 3.638 -5.633 -11.246 628 HB3 GLN 79 2HB GLN 79 4.604 -6.180 -9.881 629 HG2 GLN 79 1HG GLN 79 1.991 -7.174 -9.504 630 HG3 GLN 79 2HG GLN 79 2.434 -7.482 -11.182 631 HE21 GLN 79 1HE2 GLN 79 4.251 -7.464 -8.134 632 HE22 GLN 79 2HE2 GLN 79 4.890 -9.059 -8.308 633 H TYR 80 H TYR 80 5.394 -4.613 -8.595 634 HA TYR 80 HA TYR 80 5.723 -1.940 -8.173 635 HB2 TYR 80 1HB TYR 80 7.438 -3.697 -7.745 636 HB3 TYR 80 2HB TYR 80 7.790 -3.730 -9.469 637 HD1 TYR 80 2HD TYR 80 7.625 -1.327 -6.614 638 HD2 TYR 80 1HD TYR 80 9.499 -2.398 -10.281 639 HE1 TYR 80 2HE TYR 80 9.246 0.498 -6.312 640 HE2 TYR 80 1HE TYR 80 11.126 -0.577 -9.988 641 HH TYR 80 HH TYR 80 12.081 0.754 -8.106 642 H ALA 81 H ALA 81 5.428 -0.206 -9.388 643 HA ALA 81 HA ALA 81 5.171 -0.412 -12.249 644 HB1 ALA 81 1HB ALA 81 5.090 2.263 -11.710 645 HB2 ALA 81 2HB ALA 81 3.699 1.179 -11.693 646 HB3 ALA 81 3HB ALA 81 4.537 1.563 -10.189 647 H VAL 82 H VAL 82 6.884 -0.433 -13.540 648 HA VAL 82 HA VAL 82 9.465 0.456 -12.732 649 HB VAL 82 HB VAL 82 8.429 -0.307 -15.465 650 HG11 VAL 82 1HG1 VAL 82 10.305 0.886 -16.030 651 HG12 VAL 82 2HG1 VAL 82 11.123 0.534 -14.506 652 HG13 VAL 82 3HG1 VAL 82 11.008 -0.708 -15.754 653 HG21 VAL 82 3HG2 VAL 82 9.763 -2.391 -14.989 654 HG22 VAL 82 1HG2 VAL 82 9.894 -1.831 -13.322 655 HG23 VAL 82 2HG2 VAL 82 8.309 -2.182 -14.012 656 H LEU 83 H LEU 83 10.566 2.298 -13.206 657 HA LEU 83 HA LEU 83 9.376 4.268 -14.996 658 HB2 LEU 83 1HB LEU 83 9.897 6.017 -13.163 659 HB3 LEU 83 2HB LEU 83 8.395 5.098 -13.086 660 HG LEU 83 HG LEU 83 9.529 3.578 -11.436 661 HD11 LEU 83 1HD1 LEU 83 11.468 5.040 -10.293 662 HD12 LEU 83 2HD1 LEU 83 11.722 5.471 -11.984 663 HD13 LEU 83 3HD1 LEU 83 11.774 3.779 -11.488 664 HD21 LEU 83 3HD2 LEU 83 9.682 5.774 -9.778 665 HD22 LEU 83 1HD2 LEU 83 8.226 4.852 -10.150 666 HD23 LEU 83 2HD2 LEU 83 8.604 6.310 -11.067 667 H THR 84 H THR 84 10.841 5.801 -15.795 668 HA THR 84 HA THR 84 13.537 4.900 -15.968 669 HB THR 84 HB THR 84 13.884 7.097 -17.209 670 HG1 THR 84 1HG THR 84 11.975 8.229 -17.730 671 HG21 THR 84 3HG2 THR 84 13.499 5.129 -18.485 672 HG22 THR 84 1HG2 THR 84 12.423 6.364 -19.137 673 HG23 THR 84 2HG2 THR 84 11.785 5.113 -18.071 674 H ASP 85 H ASP 85 11.869 7.219 -13.993 675 HA ASP 85 HA ASP 85 13.986 7.452 -12.157 676 HB2 ASP 85 1HB ASP 85 14.618 8.938 -14.288 677 HB3 ASP 85 2HB ASP 85 13.600 10.104 -13.448 678 H SER 86 H SER 86 13.359 8.482 -10.272 679 HA SER 86 HA SER 86 10.795 9.887 -10.252 680 HB2 SER 86 1HB SER 86 9.982 7.745 -9.740 681 HB3 SER 86 2HB SER 86 11.403 7.334 -8.780 682 HG SER 86 HG SER 86 10.455 8.150 -7.100 683 HA PRO 87 HA PRO 87 12.848 12.500 -7.374 684 HB2 PRO 87 1HB PRO 87 10.702 13.530 -6.069 685 HB3 PRO 87 2HB PRO 87 11.133 13.990 -7.721 686 HG2 PRO 87 1HG PRO 87 9.070 12.037 -6.775 687 HG3 PRO 87 2HG PRO 87 8.954 13.253 -8.061 688 HD2 PRO 87 1HD PRO 87 9.401 10.631 -8.570 689 HD3 PRO 87 2HD PRO 87 10.063 11.928 -9.586 690 H PHE 88 H PHE 88 10.579 10.084 -6.250 691 HA PHE 88 HA PHE 88 11.677 10.256 -3.535 692 HB2 PHE 88 1HB PHE 88 9.191 8.988 -4.667 693 HB3 PHE 88 2HB PHE 88 9.778 8.588 -3.057 694 HD1 PHE 88 2HD PHE 88 9.799 10.283 -1.287 695 HD2 PHE 88 1HD PHE 88 8.152 11.085 -5.129 696 HE1 PHE 88 2HE PHE 88 8.641 12.253 -0.376 697 HE2 PHE 88 1HE PHE 88 6.993 13.058 -4.224 698 HZ PHE 88 HZ PHE 88 7.236 13.643 -1.844 699 H GLN 89 H GLN 89 13.333 9.218 -5.565 700 HA GLN 89 HA GLN 89 13.312 6.456 -5.870 701 HB2 GLN 89 1HB GLN 89 14.860 8.338 -6.879 702 HB3 GLN 89 2HB GLN 89 15.917 7.885 -5.548 703 HG2 GLN 89 1HG GLN 89 16.478 6.719 -7.622 704 HG3 GLN 89 2HG GLN 89 16.004 5.608 -6.338 705 HE21 GLN 89 1HE2 GLN 89 14.724 4.038 -6.963 706 HE22 GLN 89 2HE2 GLN 89 13.596 4.094 -8.270 707 H ASP 90 H ASP 90 14.323 8.417 -3.172 708 HA ASP 90 HA ASP 90 15.792 6.402 -1.805 709 HB2 ASP 90 1HB ASP 90 15.169 9.142 -1.409 710 HB3 ASP 90 2HB ASP 90 14.651 8.277 0.035 711 H LYS 91 H LYS 91 12.511 6.772 -2.409 712 HA LYS 91 HA LYS 91 11.766 5.182 -0.047 713 HB2 LYS 91 1HB LYS 91 9.814 6.537 -1.891 714 HB3 LYS 91 2HB LYS 91 9.570 6.011 -0.231 715 HG2 LYS 91 1HG LYS 91 11.374 8.271 -1.070 716 HG3 LYS 91 2HG LYS 91 9.728 8.457 -0.461 717 HD2 LYS 91 1HD LYS 91 10.309 7.828 1.683 718 HD3 LYS 91 2HD LYS 91 11.723 6.919 1.144 719 HE2 LYS 91 1HE LYS 91 12.974 8.679 1.670 720 HE3 LYS 91 2HE LYS 91 12.185 9.568 0.369 721 HZ1 LYS 91 3HZ LYS 91 11.775 10.903 2.170 722 HZ2 LYS 91 1HZ LYS 91 11.623 9.612 3.253 723 HZ3 LYS 91 2HZ LYS 91 10.374 9.956 2.165 724 H LEU 92 H LEU 92 12.036 5.155 -3.479 725 HA LEU 92 HA LEU 92 10.245 2.995 -3.986 726 HB2 LEU 92 1HB LEU 92 12.595 3.846 -5.663 727 HB3 LEU 92 2HB LEU 92 11.167 2.957 -6.191 728 HG LEU 92 HG LEU 92 11.446 5.873 -5.554 729 HD11 LEU 92 1HD1 LEU 92 10.105 5.932 -7.733 730 HD12 LEU 92 2HD1 LEU 92 10.530 4.228 -7.888 731 HD13 LEU 92 3HD1 LEU 92 11.799 5.450 -7.822 732 HD21 LEU 92 3HD2 LEU 92 9.103 4.151 -5.122 733 HD22 LEU 92 1HD2 LEU 92 8.804 5.605 -6.074 734 HD23 LEU 92 2HD2 LEU 92 9.489 5.738 -4.455 735 H ASP 93 H ASP 93 13.807 3.178 -3.926 736 HA ASP 93 HA ASP 93 14.364 0.493 -4.262 737 HB2 ASP 93 1HB ASP 93 15.786 2.789 -3.030 738 HB3 ASP 93 2HB ASP 93 16.383 1.182 -2.625 739 H ARG 94 H ARG 94 13.077 2.124 -1.501 740 HA ARG 94 HA ARG 94 13.786 0.510 0.608 741 HB2 ARG 94 1HB ARG 94 11.072 1.737 0.083 742 HB3 ARG 94 2HB ARG 94 11.635 1.145 1.641 743 HG2 ARG 94 1HG ARG 94 12.849 3.415 0.078 744 HG3 ARG 94 2HG ARG 94 11.798 3.570 1.487 745 HD2 ARG 94 1HD ARG 94 13.685 3.599 2.684 746 HD3 ARG 94 2HD ARG 94 13.751 1.864 2.379 747 HE ARG 94 HE ARG 94 14.955 3.336 0.265 748 HH11 ARG 94 1HH1 ARG 94 15.484 2.196 3.512 749 HH12 ARG 94 2HH1 ARG 94 17.209 2.151 3.354 750 HH21 ARG 94 1HH2 ARG 94 17.224 3.281 0.045 751 HH22 ARG 94 2HH2 ARG 94 18.198 2.769 1.382 752 H LEU 95 H LEU 95 11.217 -0.028 -1.771 753 HA LEU 95 HA LEU 95 10.001 -2.256 -0.687 754 HB2 LEU 95 1HB LEU 95 10.559 -1.647 -3.586 755 HB3 LEU 95 2HB LEU 95 9.433 -2.878 -3.018 756 HG LEU 95 HG LEU 95 9.184 0.111 -2.745 757 HD11 LEU 95 1HD1 LEU 95 6.872 -0.811 -3.798 758 HD12 LEU 95 2HD1 LEU 95 8.023 -1.964 -4.472 759 HD13 LEU 95 3HD1 LEU 95 8.239 -0.236 -4.754 760 HD21 LEU 95 3HD2 LEU 95 8.412 -0.692 -0.675 761 HD22 LEU 95 1HD2 LEU 95 7.651 -2.103 -1.412 762 HD23 LEU 95 2HD2 LEU 95 6.964 -0.498 -1.664 763 H ALA 96 H ALA 96 12.933 -2.079 -2.658 764 HA ALA 96 HA ALA 96 13.324 -4.964 -2.388 765 HB1 ALA 96 1HB ALA 96 13.864 -3.170 -4.439 766 HB2 ALA 96 2HB ALA 96 15.446 -3.571 -3.770 767 HB3 ALA 96 3HB ALA 96 14.380 -4.854 -4.342 768 H ASP 97 H ASP 97 13.761 -2.620 -0.345 769 HA ASP 97 HA ASP 97 16.490 -3.400 0.444 770 HB2 ASP 97 1HB ASP 97 15.293 -0.848 0.202 771 HB3 ASP 97 2HB ASP 97 15.524 -1.138 1.923 772 H GLU 98 H GLU 98 16.540 -2.704 3.050 773 HA GLU 98 HA GLU 98 14.737 -4.679 4.234 774 HB2 GLU 98 1HB GLU 98 17.174 -3.337 5.419 775 HB3 GLU 98 2HB GLU 98 16.262 -4.652 6.146 776 HG2 GLU 98 1HG GLU 98 17.098 -6.220 4.703 777 HG3 GLU 98 2HG GLU 98 17.418 -5.040 3.434 778 H ILE 99 H ILE 99 14.202 -4.121 6.644 779 HA ILE 99 HA ILE 99 13.039 -1.416 6.648 780 HB ILE 99 HB ILE 99 11.671 -2.733 8.601 781 HG12 ILE 99 1HG1 ILE 99 10.977 -4.907 7.542 782 HG13 ILE 99 2HG1 ILE 99 12.315 -4.719 6.413 783 HG21 ILE 99 1HG2 ILE 99 11.071 -1.427 6.330 784 HG22 ILE 99 2HG2 ILE 99 10.576 -3.058 5.882 785 HG23 ILE 99 3HG2 ILE 99 9.877 -2.284 7.304 786 HD11 ILE 99 3HD1 ILE 99 13.198 -4.437 9.143 787 HD12 ILE 99 1HD1 ILE 99 12.374 -5.973 8.880 788 HD13 ILE 99 2HD1 ILE 99 13.759 -5.532 7.880 789 H ASN 100 H ASN 100 12.467 -0.813 9.082 790 HA ASN 100 HA ASN 100 14.924 -1.216 10.659 791 HB2 ASN 100 1HB ASN 100 13.208 1.274 10.527 792 HB3 ASN 100 2HB ASN 100 14.651 1.069 11.515 793 HD21 ASN 100 1HD2 ASN 100 16.310 -0.225 9.740 794 HD22 ASN 100 2HD2 ASN 100 16.693 0.842 8.436 795 HA PRO 101 HA PRO 101 11.519 -2.872 13.233 796 HB2 PRO 101 1HB PRO 101 13.084 -4.705 14.483 797 HB3 PRO 101 2HB PRO 101 12.339 -4.993 12.906 798 HG2 PRO 101 1HG PRO 101 15.138 -4.152 13.554 799 HG3 PRO 101 2HG PRO 101 14.574 -5.345 12.370 800 HD2 PRO 101 1HD PRO 101 15.308 -2.834 11.672 801 HD3 PRO 101 2HD PRO 101 14.042 -3.733 10.811 802 H GLY 102 H GLY 102 11.266 -1.090 14.569 803 HA2 GLY 102 1HA GLY 102 11.422 -0.662 16.982 804 HA3 GLY 102 2HA GLY 102 13.150 -0.953 16.842 805 H GLU 103 H GLU 103 12.116 0.718 14.154 806 HA GLU 103 HA GLU 103 12.756 3.311 15.397 807 HB2 GLU 103 1HB GLU 103 14.649 2.558 14.068 808 HB3 GLU 103 2HB GLU 103 13.602 2.287 12.683 809 HG2 GLU 103 1HG GLU 103 14.851 4.338 12.417 810 HG3 GLU 103 2HG GLU 103 13.128 4.680 12.569 811 H THR 104 H THR 104 11.865 5.188 14.320 812 HA THR 104 HA THR 104 9.250 4.590 13.132 813 HB THR 104 HB THR 104 9.022 5.968 15.058 814 HG1 THR 104 1HG THR 104 7.950 7.669 14.139 815 HG21 THR 104 3HG2 THR 104 10.336 8.368 14.518 816 HG22 THR 104 1HG2 THR 104 11.512 7.112 14.131 817 HG23 THR 104 2HG2 THR 104 10.778 7.170 15.734 818 H ILE 105 H ILE 105 9.414 4.474 10.971 819 HA ILE 105 HA ILE 105 10.431 6.829 9.566 820 HB ILE 105 HB ILE 105 11.675 5.548 7.957 821 HG12 ILE 105 1HG1 ILE 105 11.882 2.976 9.071 822 HG13 ILE 105 2HG1 ILE 105 10.162 3.351 9.068 823 HG21 ILE 105 1HG2 ILE 105 12.593 6.132 10.339 824 HG22 ILE 105 2HG2 ILE 105 12.636 4.379 10.524 825 HG23 ILE 105 3HG2 ILE 105 13.547 5.151 9.227 826 HD11 ILE 105 3HD1 ILE 105 11.502 4.037 6.575 827 HD12 ILE 105 1HD1 ILE 105 11.573 2.321 6.973 828 HD13 ILE 105 2HD1 ILE 105 10.013 3.136 6.858 829 H GLN 106 H GLN 106 10.090 6.101 6.997 830 HA GLN 106 HA GLN 106 7.428 4.937 6.721 831 HB2 GLN 106 1HB GLN 106 6.702 6.860 5.299 832 HB3 GLN 106 2HB GLN 106 6.904 7.260 7.000 833 HG2 GLN 106 1HG GLN 106 9.264 8.031 6.303 834 HG3 GLN 106 2HG GLN 106 8.605 8.031 4.668 835 HE21 GLN 106 1HE2 GLN 106 8.551 9.537 7.784 836 HE22 GLN 106 2HE2 GLN 106 7.618 10.919 7.332 837 H GLY 107 H GLY 107 6.870 5.268 4.158 838 HA2 GLY 107 1HA GLY 107 9.101 5.042 2.395 839 HA3 GLY 107 2HA GLY 107 8.449 3.460 2.794 840 H ALA 108 H ALA 108 8.041 3.359 0.461 841 HA ALA 108 HA ALA 108 5.352 4.322 -0.118 842 HB1 ALA 108 1HB ALA 108 6.571 6.092 -1.090 843 HB2 ALA 108 2HB ALA 108 7.759 4.992 -1.791 844 HB3 ALA 108 3HB ALA 108 6.113 5.035 -2.425 845 H TYR 109 H TYR 109 4.663 3.410 -2.361 846 HA TYR 109 HA TYR 109 5.917 0.892 -3.052 847 HB2 TYR 109 1HB TYR 109 4.263 0.551 -1.078 848 HB3 TYR 109 2HB TYR 109 3.012 0.782 -2.294 849 HD1 TYR 109 2HD TYR 109 3.637 -0.656 -4.566 850 HD2 TYR 109 1HD TYR 109 4.682 -1.649 -0.563 851 HE1 TYR 109 2HE TYR 109 3.818 -3.023 -5.207 852 HE2 TYR 109 1HE TYR 109 4.867 -4.019 -1.193 853 HH TYR 109 HH TYR 109 3.580 -5.343 -3.768 854 HA PRO 110 HA PRO 110 4.003 3.157 -6.599 855 HB2 PRO 110 1HB PRO 110 6.124 2.798 -8.255 856 HB3 PRO 110 2HB PRO 110 6.018 4.138 -7.108 857 HG2 PRO 110 1HG PRO 110 7.493 1.546 -6.859 858 HG3 PRO 110 2HG PRO 110 8.024 3.181 -6.427 859 HD2 PRO 110 1HD PRO 110 7.119 1.411 -4.589 860 HD3 PRO 110 2HD PRO 110 6.877 3.162 -4.428 861 H TYR 111 H TYR 111 2.499 1.852 -7.454 862 HA TYR 111 HA TYR 111 3.383 -0.702 -8.632 863 HB2 TYR 111 1HB TYR 111 0.923 -1.355 -8.340 864 HB3 TYR 111 2HB TYR 111 1.908 -1.271 -6.884 865 HD1 TYR 111 1HD TYR 111 -0.550 0.657 -8.901 866 HD2 TYR 111 2HD TYR 111 1.266 0.096 -5.094 867 HE1 TYR 111 1HE TYR 111 -2.169 2.218 -7.905 868 HE2 TYR 111 2HE TYR 111 -0.349 1.655 -4.088 869 HH TYR 111 HH TYR 111 -2.819 3.272 -6.065 870 H GLU 112 H GLU 112 1.689 -1.447 -10.354 871 HA GLU 112 HA GLU 112 1.912 0.169 -12.576 872 HB2 GLU 112 1HB GLU 112 0.458 -2.252 -11.871 873 HB3 GLU 112 2HB GLU 112 -0.415 -1.276 -13.043 874 HG2 GLU 112 1HG GLU 112 1.578 -1.257 -14.481 875 HG3 GLU 112 2HG GLU 112 2.403 -2.295 -13.319 876 H PHE 113 H PHE 113 0.949 1.966 -13.249 877 HA PHE 113 HA PHE 113 -1.516 2.817 -11.885 878 HB2 PHE 113 1HB PHE 113 0.755 4.184 -11.873 879 HB3 PHE 113 2HB PHE 113 0.162 4.738 -13.436 880 HD1 PHE 113 1HD PHE 113 -1.406 4.099 -10.107 881 HD2 PHE 113 2HD PHE 113 -0.769 6.823 -13.314 882 HE1 PHE 113 1HE PHE 113 -2.824 5.760 -8.973 883 HE2 PHE 113 2HE PHE 113 -2.184 8.489 -12.185 884 HZ PHE 113 HZ PHE 113 -3.213 7.959 -10.012 885 H ILE 114 H ILE 114 -0.746 1.274 -14.556 886 HA ILE 114 HA ILE 114 -1.559 2.552 -16.801 887 HB ILE 114 HB ILE 114 -2.410 -0.233 -15.997 888 HG12 ILE 114 1HG1 ILE 114 -0.146 0.329 -17.854 889 HG13 ILE 114 2HG1 ILE 114 0.123 0.575 -16.132 890 HG21 ILE 114 1HG2 ILE 114 -3.743 0.434 -17.842 891 HG22 ILE 114 2HG2 ILE 114 -2.363 1.162 -18.662 892 HG23 ILE 114 3HG2 ILE 114 -2.461 -0.590 -18.488 893 HD11 ILE 114 3HD1 ILE 114 0.758 -1.585 -16.270 894 HD12 ILE 114 1HD1 ILE 114 -0.969 -1.849 -16.033 895 HD13 ILE 114 2HD1 ILE 114 -0.280 -1.920 -17.656 896 H ASN 115 H ASN 115 -3.630 1.395 -14.199 897 HA ASN 115 HA ASN 115 -6.037 2.216 -15.606 898 HB2 ASN 115 1HB ASN 115 -5.539 0.901 -12.938 899 HB3 ASN 115 2HB ASN 115 -7.137 1.458 -13.424 900 HD21 ASN 115 1HD2 ASN 115 -7.536 0.759 -15.873 901 HD22 ASN 115 2HD2 ASN 115 -7.321 -0.935 -16.138 902 H GLU 116 H GLU 116 -4.407 4.371 -15.270 903 HA GLU 116 HA GLU 116 -4.831 5.835 -12.893 904 HB2 GLU 116 1HB GLU 116 -3.872 7.684 -14.022 905 HB3 GLU 116 2HB GLU 116 -3.058 6.259 -14.652 906 HG2 GLU 116 1HG GLU 116 -3.476 7.170 -16.645 907 HG3 GLU 116 2HG GLU 116 -5.096 6.513 -16.418 908 H ASN 117 H ASN 117 -6.762 5.329 -15.722 909 HA ASN 117 HA ASN 117 -8.510 7.574 -15.222 910 HB2 ASN 117 1HB ASN 117 -9.889 6.457 -17.060 911 HB3 ASN 117 2HB ASN 117 -8.281 7.018 -17.510 912 HD21 ASN 117 1HD2 ASN 117 -6.579 5.445 -17.641 913 HD22 ASN 117 2HD2 ASN 117 -6.955 3.806 -18.037 914 H LYS 118 H LYS 118 -8.257 4.310 -14.219 915 HA LYS 118 HA LYS 118 -11.053 4.244 -13.335 916 HB2 LYS 118 1HB LYS 118 -9.029 2.007 -13.209 917 HB3 LYS 118 2HB LYS 118 -10.773 1.882 -13.014 918 HG2 LYS 118 1HG LYS 118 -9.410 2.730 -15.560 919 HG3 LYS 118 2HG LYS 118 -9.936 1.083 -15.206 920 HD2 LYS 118 1HD LYS 118 -12.239 2.232 -14.741 921 HD3 LYS 118 2HD LYS 118 -11.570 3.529 -15.734 922 HE2 LYS 118 1HE LYS 118 -11.117 1.867 -17.514 923 HE3 LYS 118 2HE LYS 118 -11.906 0.638 -16.527 924 HZ1 LYS 118 3HZ LYS 118 -13.079 2.522 -18.263 925 HZ2 LYS 118 1HZ LYS 118 -13.650 2.792 -16.694 926 HZ3 LYS 118 2HZ LYS 118 -13.822 1.268 -17.405 927 HA PRO 119 HA PRO 119 -10.060 5.009 -9.128 928 HB2 PRO 119 1HB PRO 119 -11.924 3.491 -7.866 929 HB3 PRO 119 2HB PRO 119 -12.320 4.989 -8.716 930 HG2 PRO 119 1HG PRO 119 -12.597 2.156 -9.642 931 HG3 PRO 119 2HG PRO 119 -13.729 3.509 -9.826 932 HD2 PRO 119 1HD PRO 119 -12.097 2.693 -11.826 933 HD3 PRO 119 2HD PRO 119 -12.583 4.388 -11.622 934 H VAL 120 H VAL 120 -8.822 4.211 -7.484 935 HA VAL 120 HA VAL 120 -7.857 1.462 -7.800 936 HB VAL 120 HB VAL 120 -6.672 3.607 -6.043 937 HG11 VAL 120 1HG1 VAL 120 -5.662 1.699 -5.328 938 HG12 VAL 120 2HG1 VAL 120 -5.902 0.863 -6.863 939 HG13 VAL 120 3HG1 VAL 120 -4.616 2.059 -6.700 940 HG21 VAL 120 3HG2 VAL 120 -6.675 3.399 -8.922 941 HG22 VAL 120 1HG2 VAL 120 -6.043 4.680 -7.888 942 HG23 VAL 120 2HG2 VAL 120 -5.038 3.285 -8.276 943 H HIS 121 H HIS 121 -8.739 -0.040 -6.554 944 HA HIS 121 HA HIS 121 -10.328 0.556 -4.275 945 HB2 HIS 121 1HB HIS 121 -9.654 -1.779 -5.853 946 HB3 HIS 121 2HB HIS 121 -9.648 -2.155 -4.133 947 HD1 HIS 121 1HD HIS 121 -11.947 -0.680 -6.762 948 HD2 HIS 121 2HD HIS 121 -12.120 -2.528 -3.045 949 HE1 HIS 121 1HE HIS 121 -14.391 -1.072 -6.319 950 H PHE 122 H PHE 122 -8.932 1.754 -2.910 951 HA PHE 122 HA PHE 122 -6.520 0.580 -1.886 952 HB2 PHE 122 1HB PHE 122 -7.996 3.122 -1.526 953 HB3 PHE 122 2HB PHE 122 -7.015 2.599 -0.161 954 HD1 PHE 122 2HD PHE 122 -4.563 1.965 -0.684 955 HD2 PHE 122 1HD PHE 122 -7.023 4.288 -3.265 956 HE1 PHE 122 2HE PHE 122 -2.554 2.865 -1.782 957 HE2 PHE 122 1HE PHE 122 -5.018 5.192 -4.369 958 HZ PHE 122 HZ PHE 122 -2.780 4.481 -3.627 959 H LYS 123 H LYS 123 -7.159 -1.388 -0.978 960 HA LYS 123 HA LYS 123 -8.886 -1.208 1.399 961 HB2 LYS 123 1HB LYS 123 -8.095 -3.677 -0.156 962 HB3 LYS 123 2HB LYS 123 -9.253 -3.599 1.165 963 HG2 LYS 123 1HG LYS 123 -10.645 -2.082 -0.242 964 HG3 LYS 123 2HG LYS 123 -9.530 -2.387 -1.575 965 HD2 LYS 123 1HD LYS 123 -10.738 -4.705 -0.139 966 HD3 LYS 123 2HD LYS 123 -11.722 -3.809 -1.298 967 HE2 LYS 123 1HE LYS 123 -9.918 -4.146 -2.983 968 HE3 LYS 123 2HE LYS 123 -9.086 -5.177 -1.820 969 HZ1 LYS 123 3HZ LYS 123 -10.768 -6.119 -3.624 970 HZ2 LYS 123 1HZ LYS 123 -11.871 -5.821 -2.376 971 HZ3 LYS 123 2HZ LYS 123 -10.554 -6.848 -2.113 972 H PHE 124 H PHE 124 -8.287 -2.788 3.166 973 HA PHE 124 HA PHE 124 -5.412 -3.256 3.386 974 HB2 PHE 124 1HB PHE 124 -7.020 -1.678 5.404 975 HB3 PHE 124 2HB PHE 124 -5.378 -2.256 5.664 976 HD1 PHE 124 1HD PHE 124 -7.460 0.020 3.640 977 HD2 PHE 124 2HD PHE 124 -3.518 -1.093 4.798 978 HE1 PHE 124 1HE PHE 124 -6.580 2.072 2.604 979 HE2 PHE 124 2HE PHE 124 -2.632 0.957 3.764 980 HZ PHE 124 HZ PHE 124 -4.164 2.543 2.667 981 H ARG 125 H ARG 125 -5.056 -5.241 4.116 982 HA ARG 125 HA ARG 125 -6.478 -6.393 6.290 983 HB2 ARG 125 1HB ARG 125 -8.236 -6.797 4.729 984 HB3 ARG 125 2HB ARG 125 -7.107 -7.365 3.506 985 HG2 ARG 125 1HG ARG 125 -6.848 -9.419 4.499 986 HG3 ARG 125 2HG ARG 125 -7.293 -8.820 6.098 987 HD2 ARG 125 1HD ARG 125 -9.078 -10.195 5.298 988 HD3 ARG 125 2HD ARG 125 -9.620 -8.518 5.261 989 HE ARG 125 HE ARG 125 -9.820 -8.677 2.990 990 HH11 ARG 125 1HH1 ARG 125 -7.829 -11.293 4.136 991 HH12 ARG 125 2HH1 ARG 125 -7.758 -12.086 2.597 992 HH21 ARG 125 1HH2 ARG 125 -9.733 -9.711 0.959 993 HH22 ARG 125 2HH2 ARG 125 -8.841 -11.185 0.790 994 H ASP 126 H ASP 126 -5.501 -8.274 7.062 995 HA ASP 126 HA ASP 126 -3.210 -9.306 5.551 996 HB2 ASP 126 1HB ASP 126 -2.290 -7.640 7.077 997 HB3 ASP 126 2HB ASP 126 -3.116 -8.398 8.436 998 H ARG 127 H ARG 127 -4.400 -9.809 8.864 999 HA ARG 127 HA ARG 127 -5.434 -12.427 8.177 1000 HB2 ARG 127 1HB ARG 127 -3.038 -12.058 9.975 1001 HB3 ARG 127 2HB ARG 127 -4.034 -13.508 9.993 1002 HG2 ARG 127 1HG ARG 127 -3.503 -13.904 7.640 1003 HG3 ARG 127 2HG ARG 127 -2.498 -12.453 7.628 1004 HD2 ARG 127 1HD ARG 127 -1.684 -14.042 9.825 1005 HD3 ARG 127 2HD ARG 127 -1.810 -15.102 8.422 1006 HE ARG 127 HE ARG 127 -0.437 -12.775 7.676 1007 HH11 ARG 127 1HH1 ARG 127 -0.021 -15.597 9.670 1008 HH12 ARG 127 2HH1 ARG 127 1.704 -15.618 9.508 1009 HH21 ARG 127 1HH2 ARG 127 1.833 -12.791 7.454 1010 HH22 ARG 127 2HH2 ARG 127 2.757 -14.021 8.248 1011 H LEU 128 H LEU 128 -7.143 -10.706 8.906 1012 HA LEU 128 HA LEU 128 -7.490 -10.922 11.823 1013 HB2 LEU 128 1HB LEU 128 -9.177 -9.002 11.357 1014 HB3 LEU 128 2HB LEU 128 -7.452 -8.658 11.454 1015 HG LEU 128 HG LEU 128 -8.434 -9.225 8.745 1016 HD11 LEU 128 1HD1 LEU 128 -10.354 -8.001 9.742 1017 HD12 LEU 128 2HD1 LEU 128 -9.557 -7.134 8.429 1018 HD13 LEU 128 3HD1 LEU 128 -9.259 -6.665 10.103 1019 HD21 LEU 128 3HD2 LEU 128 -6.176 -8.483 9.127 1020 HD22 LEU 128 1HD2 LEU 128 -6.749 -7.064 10.004 1021 HD23 LEU 128 2HD2 LEU 128 -7.060 -7.217 8.275 1022 H LEU 129 H LEU 129 -8.289 -12.691 9.422 1023 HA LEU 129 HA LEU 129 -10.049 -13.982 8.768 1024 HB2 LEU 129 1HB LEU 129 -9.742 -14.493 11.255 1025 HB3 LEU 129 2HB LEU 129 -11.173 -13.497 11.510 1026 HG LEU 129 HG LEU 129 -12.470 -15.042 10.093 1027 HD11 LEU 129 1HD1 LEU 129 -10.713 -15.886 8.671 1028 HD12 LEU 129 2HD1 LEU 129 -11.482 -17.227 9.519 1029 HD13 LEU 129 3HD1 LEU 129 -9.910 -16.633 10.052 1030 HD21 LEU 129 3HD2 LEU 129 -11.272 -15.660 12.667 1031 HD22 LEU 129 1HD2 LEU 129 -11.779 -17.104 11.790 1032 HD23 LEU 129 2HD2 LEU 129 -12.944 -15.823 12.126 1033 H SER 130 H SER 130 -10.568 -11.935 7.471 1034 HA SER 130 HA SER 130 -12.842 -10.398 8.301 1035 HB2 SER 130 1HB SER 130 -11.960 -9.033 6.757 1036 HB3 SER 130 2HB SER 130 -10.904 -10.317 6.169 1037 HG SER 130 HG SER 130 -12.323 -10.812 4.637 1038 H LEU 131 H LEU 131 -12.302 -12.911 5.840 1039 HA LEU 131 HA LEU 131 -13.708 -14.478 4.963 1040 HB2 LEU 131 1HB LEU 131 -15.925 -13.535 6.736 1041 HB3 LEU 131 2HB LEU 131 -15.610 -15.154 6.117 1042 HG LEU 131 HG LEU 131 -14.222 -13.734 8.379 1043 HD11 LEU 131 1HD1 LEU 131 -15.852 -16.256 8.161 1044 HD12 LEU 131 2HD1 LEU 131 -16.256 -14.785 9.045 1045 HD13 LEU 131 3HD1 LEU 131 -14.922 -15.802 9.590 1046 HD21 LEU 131 3HD2 LEU 131 -13.252 -15.866 6.610 1047 HD22 LEU 131 1HD2 LEU 131 -13.132 -16.218 8.334 1048 HD23 LEU 131 2HD2 LEU 131 -12.362 -14.775 7.673 1049 H ASP 132 H ASP 132 -15.887 -11.792 5.840 1050 HA ASP 132 HA ASP 132 -17.028 -11.817 3.179 1051 HB2 ASP 132 1HB ASP 132 -17.835 -10.903 5.783 1052 HB3 ASP 132 2HB ASP 132 -17.988 -9.587 4.623 1053 H GLU 133 H GLU 133 -15.946 -9.064 5.162 1054 HA GLU 133 HA GLU 133 -14.476 -8.049 2.826 1055 HB2 GLU 133 1HB GLU 133 -15.251 -5.726 3.636 1056 HB3 GLU 133 2HB GLU 133 -16.390 -6.717 2.735 1057 HG2 GLU 133 1HG GLU 133 -17.798 -6.888 4.460 1058 HG3 GLU 133 2HG GLU 133 -16.498 -7.111 5.629 1059 HA PRO 134 HA PRO 134 -11.143 -7.238 5.561 1060 HB2 PRO 134 1HB PRO 134 -10.091 -4.973 4.498 1061 HB3 PRO 134 2HB PRO 134 -9.944 -6.555 3.724 1062 HG2 PRO 134 1HG PRO 134 -11.859 -4.330 3.138 1063 HG3 PRO 134 2HG PRO 134 -10.958 -5.356 2.008 1064 HD2 PRO 134 1HD PRO 134 -13.567 -5.778 2.596 1065 HD3 PRO 134 2HD PRO 134 -12.449 -7.102 2.207 1066 H ILE 135 H ILE 135 -10.090 -5.370 6.842 1067 HA ILE 135 HA ILE 135 -12.034 -4.304 8.594 1068 HB ILE 135 HB ILE 135 -9.720 -4.856 9.286 1069 HG12 ILE 135 1HG1 ILE 135 -10.313 -1.937 9.780 1070 HG13 ILE 135 2HG1 ILE 135 -11.237 -3.237 10.525 1071 HG21 ILE 135 1HG2 ILE 135 -8.911 -3.520 7.094 1072 HG22 ILE 135 2HG2 ILE 135 -8.665 -2.280 8.322 1073 HG23 ILE 135 3HG2 ILE 135 -7.870 -3.846 8.480 1074 HD11 ILE 135 3HD1 ILE 135 -9.730 -2.834 12.172 1075 HD12 ILE 135 1HD1 ILE 135 -8.836 -4.046 11.254 1076 HD13 ILE 135 2HD1 ILE 135 -8.466 -2.333 11.050 1077 H ALA 136 H ALA 136 -10.346 -3.004 5.823 1078 HA ALA 136 HA ALA 136 -12.109 -0.685 5.864 1079 HB1 ALA 136 1HB ALA 136 -9.702 0.464 5.137 1080 HB2 ALA 136 2HB ALA 136 -10.538 0.668 6.677 1081 HB3 ALA 136 3HB ALA 136 -9.285 -0.561 6.511 1082 H SER 137 H SER 137 -12.066 0.515 3.815 1083 HA SER 137 HA SER 137 -10.711 -0.415 1.528 1084 HB2 SER 137 1HB SER 137 -12.728 -1.406 0.355 1085 HB3 SER 137 2HB SER 137 -12.036 -2.401 1.636 1086 HG SER 137 HG SER 137 -13.712 -1.874 2.957 1087 H GLU 138 H GLU 138 -11.265 0.754 -0.371 1088 HA GLU 138 HA GLU 138 -13.444 2.518 -0.576 1089 HB2 GLU 138 1HB GLU 138 -12.646 4.577 0.082 1090 HB3 GLU 138 2HB GLU 138 -11.912 3.537 1.294 1091 HG2 GLU 138 1HG GLU 138 -10.003 3.505 -0.620 1092 HG3 GLU 138 2HG GLU 138 -10.672 5.121 -0.840 1093 H GLU 139 H GLU 139 -13.165 4.080 -2.406 1094 HA GLU 139 HA GLU 139 -11.275 2.978 -4.380 1095 HB2 GLU 139 1HB GLU 139 -13.952 4.280 -4.905 1096 HB3 GLU 139 2HB GLU 139 -12.882 3.582 -6.113 1097 HG2 GLU 139 1HG GLU 139 -14.469 1.936 -5.809 1098 HG3 GLU 139 2HG GLU 139 -13.145 1.402 -4.774 1099 H ILE 140 H ILE 140 -9.698 4.308 -4.944 1100 HA ILE 140 HA ILE 140 -10.247 7.192 -5.076 1101 HB ILE 140 HB ILE 140 -7.677 6.061 -3.974 1102 HG12 ILE 140 1HG1 ILE 140 -9.964 7.321 -2.448 1103 HG13 ILE 140 2HG1 ILE 140 -9.613 5.597 -2.479 1104 HG21 ILE 140 1HG2 ILE 140 -6.977 8.119 -4.500 1105 HG22 ILE 140 2HG2 ILE 140 -8.619 8.716 -4.735 1106 HG23 ILE 140 3HG2 ILE 140 -7.930 8.647 -3.113 1107 HD11 ILE 140 3HD1 ILE 140 -7.264 7.061 -1.744 1108 HD12 ILE 140 1HD1 ILE 140 -8.618 7.518 -0.712 1109 HD13 ILE 140 2HD1 ILE 140 -8.143 5.825 -0.845 1110 H THR 141 H THR 141 -9.773 7.977 -7.010 1111 HA THR 141 HA THR 141 -8.181 6.408 -8.863 1112 HB THR 141 HB THR 141 -9.127 9.056 -9.743 1113 HG1 THR 141 1HG THR 141 -11.281 8.557 -9.636 1114 HG21 THR 141 3HG2 THR 141 -10.023 6.563 -11.039 1115 HG22 THR 141 1HG2 THR 141 -8.278 6.808 -10.981 1116 HG23 THR 141 2HG2 THR 141 -9.314 8.015 -11.743 1117 H ILE 142 H ILE 142 -7.188 8.182 -6.488 1118 HA ILE 142 HA ILE 142 -5.478 9.638 -6.041 1119 HB ILE 142 HB ILE 142 -4.240 8.171 -8.373 1120 HG12 ILE 142 1HG1 ILE 142 -5.109 6.668 -6.612 1121 HG13 ILE 142 2HG1 ILE 142 -3.351 6.633 -6.702 1122 HG21 ILE 142 1HG2 ILE 142 -2.444 8.944 -6.256 1123 HG22 ILE 142 2HG2 ILE 142 -2.352 9.276 -7.985 1124 HG23 ILE 142 3HG2 ILE 142 -3.271 10.348 -6.929 1125 HD11 ILE 142 3HD1 ILE 142 -3.430 6.884 -4.493 1126 HD12 ILE 142 1HD1 ILE 142 -3.792 8.575 -4.838 1127 HD13 ILE 142 2HD1 ILE 142 -5.104 7.439 -4.521 1128 H THR 143 H THR 143 -6.560 11.569 -6.641 1129 HA THR 143 HA THR 143 -5.259 12.954 -8.827 1130 HB THR 143 HB THR 143 -7.544 13.828 -9.629 1131 HG1 THR 143 1HG THR 143 -9.208 12.181 -9.360 1132 HG21 THR 143 3HG2 THR 143 -5.941 12.186 -10.794 1133 HG22 THR 143 1HG2 THR 143 -7.614 12.238 -11.347 1134 HG23 THR 143 2HG2 THR 143 -7.076 10.935 -10.287 Start of MODEL 13 1 H1 MET 1 H MET 1 -23.552 -1.475 15.921 2 HA MET 1 HA MET 1 -24.408 0.859 17.285 3 HB2 MET 1 1HB MET 1 -26.370 -1.297 16.862 4 HB3 MET 1 2HB MET 1 -26.216 -0.759 18.529 5 HG2 MET 1 1HG MET 1 -27.214 1.200 18.124 6 HG3 MET 1 2HG MET 1 -26.403 1.408 16.573 7 HE1 MET 1 3HE MET 1 -29.493 0.490 18.475 8 HE2 MET 1 1HE MET 1 -29.682 1.945 17.496 9 HE3 MET 1 2HE MET 1 -30.683 0.530 17.173 10 H ASP 2 H ASP 2 -24.169 -2.673 17.682 11 HA ASP 2 HA ASP 2 -22.239 -2.229 19.842 12 HB2 ASP 2 1HB ASP 2 -24.840 -3.677 20.031 13 HB3 ASP 2 2HB ASP 2 -23.461 -4.331 20.909 14 H GLU 3 H GLU 3 -20.683 -2.839 18.252 15 HA GLU 3 HA GLU 3 -20.157 -5.651 18.229 16 HB2 GLU 3 1HB GLU 3 -21.748 -4.768 16.148 17 HB3 GLU 3 2HB GLU 3 -20.134 -4.747 15.451 18 HG2 GLU 3 1HG GLU 3 -20.748 -7.170 16.964 19 HG3 GLU 3 2HG GLU 3 -21.777 -6.912 15.556 20 H VAL 4 H VAL 4 -18.041 -5.808 18.505 21 HA VAL 4 HA VAL 4 -16.278 -3.619 18.255 22 HB VAL 4 HB VAL 4 -14.470 -5.344 18.577 23 HG11 VAL 4 1HG1 VAL 4 -16.794 -5.261 20.492 24 HG12 VAL 4 2HG1 VAL 4 -15.211 -5.933 20.889 25 HG13 VAL 4 3HG1 VAL 4 -15.369 -4.223 20.488 26 HG21 VAL 4 3HG2 VAL 4 -14.868 -7.511 18.276 27 HG22 VAL 4 1HG2 VAL 4 -16.227 -7.463 19.400 28 HG23 VAL 4 2HG2 VAL 4 -16.479 -7.087 17.696 29 H LEU 5 H LEU 5 -14.413 -3.429 16.874 30 HA LEU 5 HA LEU 5 -14.784 -4.696 14.239 31 HB2 LEU 5 1HB LEU 5 -13.822 -1.900 14.826 32 HB3 LEU 5 2HB LEU 5 -13.918 -2.636 13.227 33 HG LEU 5 HG LEU 5 -16.490 -2.802 14.420 34 HD11 LEU 5 1HD1 LEU 5 -16.249 -1.052 15.879 35 HD12 LEU 5 2HD1 LEU 5 -16.767 -0.196 14.427 36 HD13 LEU 5 3HD1 LEU 5 -15.060 -0.228 14.869 37 HD21 LEU 5 3HD2 LEU 5 -15.834 -0.796 12.327 38 HD22 LEU 5 1HD2 LEU 5 -17.165 -1.951 12.413 39 HD23 LEU 5 2HD2 LEU 5 -15.548 -2.501 11.971 40 H ALA 6 H ALA 6 -13.019 -5.546 13.261 41 HA ALA 6 HA ALA 6 -10.904 -6.339 12.980 42 HB1 ALA 6 1HB ALA 6 -9.746 -4.170 14.659 43 HB2 ALA 6 2HB ALA 6 -9.169 -4.851 13.138 44 HB3 ALA 6 3HB ALA 6 -10.540 -3.742 13.144 45 H THR 7 H THR 7 -12.553 -6.837 15.498 46 HA THR 7 HA THR 7 -12.380 -8.027 17.432 47 HB THR 7 HB THR 7 -9.668 -9.047 16.948 48 HG1 THR 7 1HG THR 7 -11.706 -9.662 15.057 49 HG21 THR 7 3HG2 THR 7 -12.396 -10.148 17.514 50 HG22 THR 7 1HG2 THR 7 -10.919 -10.286 18.466 51 HG23 THR 7 2HG2 THR 7 -11.099 -11.215 16.978 52 H SER 8 H SER 8 -11.497 -5.327 17.522 53 HA SER 8 HA SER 8 -10.473 -3.875 18.943 54 HB2 SER 8 1HB SER 8 -11.127 -6.053 20.498 55 HB3 SER 8 2HB SER 8 -9.402 -5.863 20.814 56 HG SER 8 HG SER 8 -10.010 -4.334 22.113 57 H ILE 9 H ILE 9 -9.002 -4.943 16.749 58 HA ILE 9 HA ILE 9 -6.279 -4.596 17.797 59 HB ILE 9 HB ILE 9 -7.154 -6.661 15.779 60 HG12 ILE 9 1HG1 ILE 9 -5.388 -7.522 17.912 61 HG13 ILE 9 2HG1 ILE 9 -6.843 -6.771 18.558 62 HG21 ILE 9 1HG2 ILE 9 -5.192 -5.873 14.826 63 HG22 ILE 9 2HG2 ILE 9 -4.450 -5.537 16.390 64 HG23 ILE 9 3HG2 ILE 9 -4.626 -7.202 15.837 65 HD11 ILE 9 3HD1 ILE 9 -7.795 -8.758 18.318 66 HD12 ILE 9 1HD1 ILE 9 -7.804 -8.431 16.585 67 HD13 ILE 9 2HD1 ILE 9 -6.483 -9.354 17.302 68 H GLY 10 H GLY 10 -7.593 -5.167 14.540 69 HA2 GLY 10 1HA GLY 10 -5.990 -3.123 13.384 70 HA3 GLY 10 2HA GLY 10 -7.295 -3.990 12.587 71 H THR 11 H THR 11 -7.113 -1.476 11.868 72 HA THR 11 HA THR 11 -9.586 -0.344 12.559 73 HB THR 11 HB THR 11 -8.108 1.814 13.482 74 HG1 THR 11 1HG THR 11 -7.077 0.669 15.372 75 HG21 THR 11 3HG2 THR 11 -9.974 1.702 14.711 76 HG22 THR 11 1HG2 THR 11 -9.093 0.597 15.765 77 HG23 THR 11 2HG2 THR 11 -10.116 -0.040 14.476 78 H TYR 12 H TYR 12 -9.940 1.769 11.531 79 HA TYR 12 HA TYR 12 -7.915 2.621 9.622 80 HB2 TYR 12 1HB TYR 12 -9.011 0.995 8.279 81 HB3 TYR 12 2HB TYR 12 -10.602 1.504 8.831 82 HD1 TYR 12 1HD TYR 12 -7.831 3.694 7.692 83 HD2 TYR 12 2HD TYR 12 -11.650 2.047 6.796 84 HE1 TYR 12 1HE TYR 12 -8.017 5.195 5.752 85 HE2 TYR 12 2HE TYR 12 -11.846 3.542 4.853 86 HH TYR 12 HH TYR 12 -10.867 5.112 3.631 87 H GLU 13 H GLU 13 -7.819 4.613 10.593 88 HA GLU 13 HA GLU 13 -9.690 6.557 9.799 89 HB2 GLU 13 1HB GLU 13 -10.648 7.199 11.941 90 HB3 GLU 13 2HB GLU 13 -11.073 5.536 11.560 91 HG2 GLU 13 1HG GLU 13 -9.166 4.821 13.028 92 HG3 GLU 13 2HG GLU 13 -9.030 6.503 13.537 93 H ASN 14 H ASN 14 -9.240 8.713 10.924 94 HA ASN 14 HA ASN 14 -7.729 10.369 11.320 95 HB2 ASN 14 1HB ASN 14 -6.176 8.384 12.970 96 HB3 ASN 14 2HB ASN 14 -6.356 10.117 13.224 97 HD21 ASN 14 1HD2 ASN 14 -6.871 7.842 15.007 98 HD22 ASN 14 2HD2 ASN 14 -8.515 8.007 15.510 99 H ARG 15 H ARG 15 -7.302 8.883 8.964 100 HA ARG 15 HA ARG 15 -5.767 8.542 7.320 101 HB2 ARG 15 1HB ARG 15 -5.199 10.955 8.387 102 HB3 ARG 15 2HB ARG 15 -3.672 10.132 8.678 103 HG2 ARG 15 1HG ARG 15 -3.582 11.329 6.588 104 HG3 ARG 15 2HG ARG 15 -3.527 9.591 6.287 105 HD2 ARG 15 1HD ARG 15 -5.030 10.937 4.765 106 HD3 ARG 15 2HD ARG 15 -5.772 9.548 5.558 107 HE ARG 15 HE ARG 15 -7.179 10.979 6.650 108 HH11 ARG 15 1HH1 ARG 15 -4.477 12.786 5.405 109 HH12 ARG 15 2HH1 ARG 15 -5.146 14.327 5.828 110 HH21 ARG 15 1HH2 ARG 15 -8.070 13.002 7.212 111 HH22 ARG 15 2HH2 ARG 15 -7.189 14.449 6.857 112 H THR 16 H THR 16 -5.847 6.537 9.200 113 HA THR 16 HA THR 16 -3.155 5.475 8.972 114 HB THR 16 HB THR 16 -4.510 5.560 11.673 115 HG1 THR 16 1HG THR 16 -3.214 7.222 12.154 116 HG21 THR 16 3HG2 THR 16 -3.148 3.582 11.395 117 HG22 THR 16 1HG2 THR 16 -2.316 4.709 12.466 118 HG23 THR 16 2HG2 THR 16 -1.806 4.550 10.785 119 H LEU 17 H LEU 17 -3.057 3.208 9.096 120 HA LEU 17 HA LEU 17 -5.636 1.814 9.306 121 HB2 LEU 17 1HB LEU 17 -3.817 1.975 7.009 122 HB3 LEU 17 2HB LEU 17 -4.328 0.342 7.427 123 HG LEU 17 HG LEU 17 -6.362 2.508 7.067 124 HD11 LEU 17 1HD1 LEU 17 -4.640 1.341 5.001 125 HD12 LEU 17 2HD1 LEU 17 -5.618 2.809 4.974 126 HD13 LEU 17 3HD1 LEU 17 -6.369 1.243 4.666 127 HD21 LEU 17 3HD2 LEU 17 -7.846 0.740 6.681 128 HD22 LEU 17 1HD2 LEU 17 -6.830 0.179 8.009 129 HD23 LEU 17 2HD2 LEU 17 -6.541 -0.407 6.371 130 H LEU 18 H LEU 18 -5.194 0.899 11.274 131 HA LEU 18 HA LEU 18 -2.715 -0.287 11.963 132 HB2 LEU 18 1HB LEU 18 -5.150 0.294 13.239 133 HB3 LEU 18 2HB LEU 18 -4.908 -1.443 13.410 134 HG LEU 18 HG LEU 18 -2.994 0.714 14.301 135 HD11 LEU 18 1HD1 LEU 18 -5.165 -0.780 15.623 136 HD12 LEU 18 2HD1 LEU 18 -4.494 0.810 15.982 137 HD13 LEU 18 3HD1 LEU 18 -3.653 -0.643 16.522 138 HD21 LEU 18 3HD2 LEU 18 -2.280 -1.666 15.494 139 HD22 LEU 18 1HD2 LEU 18 -1.455 -0.892 14.141 140 HD23 LEU 18 2HD2 LEU 18 -2.665 -2.138 13.838 141 H VAL 19 H VAL 19 -1.971 -2.330 11.760 142 HA VAL 19 HA VAL 19 -3.769 -4.442 10.851 143 HB VAL 19 HB VAL 19 -2.413 -5.095 8.989 144 HG11 VAL 19 1HG1 VAL 19 -2.729 -3.226 7.484 145 HG12 VAL 19 2HG1 VAL 19 -4.093 -3.332 8.599 146 HG13 VAL 19 3HG1 VAL 19 -2.842 -2.113 8.847 147 HG21 VAL 19 3HG2 VAL 19 -0.564 -2.874 9.844 148 HG22 VAL 19 1HG2 VAL 19 -0.217 -4.603 9.791 149 HG23 VAL 19 2HG2 VAL 19 -0.453 -3.704 8.291 150 HA PRO 20 HA PRO 20 -1.353 -6.995 13.482 151 HB2 PRO 20 1HB PRO 20 -1.576 -9.395 12.233 152 HB3 PRO 20 2HB PRO 20 -2.911 -8.643 13.114 153 HG2 PRO 20 1HG PRO 20 -2.366 -8.682 10.170 154 HG3 PRO 20 2HG PRO 20 -3.902 -8.912 11.027 155 HD2 PRO 20 1HD PRO 20 -3.222 -6.565 9.860 156 HD3 PRO 20 2HD PRO 20 -4.218 -6.649 11.327 157 H ASP 21 H ASP 21 0.779 -7.196 13.711 158 HA ASP 21 HA ASP 21 2.963 -7.716 13.274 159 HB2 ASP 21 1HB ASP 21 1.639 -9.396 11.562 160 HB3 ASP 21 2HB ASP 21 2.632 -8.459 10.449 161 H GLY 22 H GLY 22 1.445 -5.204 12.453 162 HA2 GLY 22 1HA GLY 22 3.688 -3.785 11.444 163 HA3 GLY 22 2HA GLY 22 2.513 -4.050 10.164 164 H ARG 23 H ARG 23 2.759 -1.567 10.400 165 HA ARG 23 HA ARG 23 0.356 -0.635 11.678 166 HB2 ARG 23 1HB ARG 23 2.288 -0.605 13.420 167 HB3 ARG 23 2HB ARG 23 2.869 0.781 12.507 168 HG2 ARG 23 1HG ARG 23 0.036 0.730 13.427 169 HG3 ARG 23 2HG ARG 23 1.319 1.105 14.579 170 HD2 ARG 23 1HD ARG 23 2.016 2.681 12.482 171 HD3 ARG 23 2HD ARG 23 0.259 2.686 12.340 172 HE ARG 23 HE ARG 23 0.625 3.220 14.948 173 HH11 ARG 23 1HH1 ARG 23 2.014 4.580 12.061 174 HH12 ARG 23 2HH1 ARG 23 2.238 6.153 12.752 175 HH21 ARG 23 1HH2 ARG 23 0.914 5.286 15.870 176 HH22 ARG 23 2HH2 ARG 23 1.612 6.553 14.920 177 H LEU 24 H LEU 24 -0.178 -0.143 9.516 178 HA LEU 24 HA LEU 24 1.458 1.703 8.014 179 HB2 LEU 24 1HB LEU 24 -0.160 -0.225 7.207 180 HB3 LEU 24 2HB LEU 24 -1.347 1.077 7.245 181 HG LEU 24 HG LEU 24 0.647 2.241 5.820 182 HD11 LEU 24 1HD1 LEU 24 0.599 -0.614 4.874 183 HD12 LEU 24 2HD1 LEU 24 1.883 0.047 5.888 184 HD13 LEU 24 3HD1 LEU 24 1.596 0.715 4.281 185 HD21 LEU 24 3HD2 LEU 24 -1.288 0.514 4.357 186 HD22 LEU 24 1HD2 LEU 24 -0.837 2.196 4.077 187 HD23 LEU 24 2HD2 LEU 24 -1.910 1.782 5.415 188 H ALA 25 H ALA 25 1.231 3.853 7.880 189 HA ALA 25 HA ALA 25 -1.209 5.088 8.955 190 HB1 ALA 25 1HB ALA 25 1.339 6.484 9.514 191 HB2 ALA 25 2HB ALA 25 -0.140 6.389 10.472 192 HB3 ALA 25 3HB ALA 25 0.994 5.038 10.465 193 H LEU 26 H LEU 26 -2.013 5.799 7.040 194 HA LEU 26 HA LEU 26 -0.582 6.760 4.859 195 HB2 LEU 26 1HB LEU 26 -3.342 7.595 5.735 196 HB3 LEU 26 2HB LEU 26 -2.668 7.764 4.115 197 HG LEU 26 HG LEU 26 -2.583 5.012 4.986 198 HD11 LEU 26 1HD1 LEU 26 -4.656 6.135 6.200 199 HD12 LEU 26 2HD1 LEU 26 -4.743 4.521 5.493 200 HD13 LEU 26 3HD1 LEU 26 -5.385 5.906 4.610 201 HD21 LEU 26 3HD2 LEU 26 -4.200 5.024 2.868 202 HD22 LEU 26 1HD2 LEU 26 -2.451 5.206 2.729 203 HD23 LEU 26 2HD2 LEU 26 -3.493 6.628 2.676 204 H THR 27 H THR 27 0.437 8.607 4.416 205 HA THR 27 HA THR 27 0.238 10.791 6.373 206 HB THR 27 HB THR 27 2.406 11.559 5.551 207 HG1 THR 27 1HG THR 27 2.235 9.308 3.806 208 HG21 THR 27 3HG2 THR 27 1.972 8.899 6.692 209 HG22 THR 27 1HG2 THR 27 3.046 10.195 7.218 210 HG23 THR 27 2HG2 THR 27 3.551 9.098 5.932 211 H ALA 28 H ALA 28 0.633 10.292 2.863 212 HA ALA 28 HA ALA 28 -1.425 11.954 2.049 213 HB1 ALA 28 1HB ALA 28 -0.726 14.044 2.291 214 HB2 ALA 28 2HB ALA 28 0.748 13.459 3.064 215 HB3 ALA 28 3HB ALA 28 0.702 13.694 1.317 216 H LEU 29 H LEU 29 -1.625 10.414 0.455 217 HA LEU 29 HA LEU 29 0.375 9.382 -1.166 218 HB2 LEU 29 1HB LEU 29 -2.442 9.925 -2.071 219 HB3 LEU 29 2HB LEU 29 -1.347 8.673 -2.653 220 HG LEU 29 HG LEU 29 -2.020 8.547 0.215 221 HD11 LEU 29 1HD1 LEU 29 -4.180 9.200 -0.655 222 HD12 LEU 29 2HD1 LEU 29 -4.197 7.490 -0.228 223 HD13 LEU 29 3HD1 LEU 29 -4.072 7.974 -1.919 224 HD21 LEU 29 3HD2 LEU 29 -0.724 6.781 -0.574 225 HD22 LEU 29 1HD2 LEU 29 -1.643 6.649 -2.074 226 HD23 LEU 29 2HD2 LEU 29 -2.357 6.114 -0.553 227 H HIS 30 H HIS 30 1.184 9.905 -3.191 228 HA HIS 30 HA HIS 30 0.459 12.515 -4.309 229 HB2 HIS 30 1HB HIS 30 3.286 11.628 -3.700 230 HB3 HIS 30 2HB HIS 30 2.859 13.063 -4.627 231 HD1 HIS 30 1HD HIS 30 0.803 14.423 -2.969 232 HD2 HIS 30 2HD HIS 30 4.083 12.513 -1.281 233 HE1 HIS 30 1HE HIS 30 1.096 15.469 -0.701 234 H LYS 31 H LYS 31 0.896 12.757 -6.532 235 HA LYS 31 HA LYS 31 1.386 10.209 -7.928 236 HB2 LYS 31 1HB LYS 31 0.045 11.130 -9.776 237 HB3 LYS 31 2HB LYS 31 -0.873 11.048 -8.278 238 HG2 LYS 31 1HG LYS 31 -0.673 13.398 -7.937 239 HG3 LYS 31 2HG LYS 31 0.474 13.548 -9.270 240 HD2 LYS 31 1HD LYS 31 -2.399 12.666 -9.544 241 HD3 LYS 31 2HD LYS 31 -1.801 14.293 -9.877 242 HE2 LYS 31 1HE LYS 31 -0.128 12.593 -11.321 243 HE3 LYS 31 2HE LYS 31 -1.747 11.930 -11.538 244 HZ1 LYS 31 3HZ LYS 31 -1.004 14.765 -12.019 245 HZ2 LYS 31 1HZ LYS 31 -2.510 14.055 -12.320 246 HZ3 LYS 31 2HZ LYS 31 -1.160 13.591 -13.227 247 H GLY 32 H GLY 32 2.587 10.256 -9.897 248 HA2 GLY 32 1HA GLY 32 4.093 12.707 -10.452 249 HA3 GLY 32 2HA GLY 32 5.003 11.267 -10.020 250 H LYS 33 H LYS 33 6.051 11.093 -11.986 251 HA LYS 33 HA LYS 33 4.338 10.218 -14.213 252 HB2 LYS 33 1HB LYS 33 6.426 12.318 -14.174 253 HB3 LYS 33 2HB LYS 33 6.453 11.229 -15.555 254 HG2 LYS 33 1HG LYS 33 3.985 11.765 -15.830 255 HG3 LYS 33 2HG LYS 33 4.257 13.079 -14.682 256 HD2 LYS 33 1HD LYS 33 6.109 12.839 -16.996 257 HD3 LYS 33 2HD LYS 33 4.475 13.435 -17.301 258 HE2 LYS 33 1HE LYS 33 5.066 15.441 -16.555 259 HE3 LYS 33 2HE LYS 33 5.469 14.744 -14.987 260 HZ1 LYS 33 3HZ LYS 33 7.435 14.415 -17.112 261 HZ2 LYS 33 1HZ LYS 33 7.663 14.712 -15.463 262 HZ3 LYS 33 2HZ LYS 33 7.242 15.980 -16.500 263 H ASP 34 H ASP 34 5.181 8.589 -15.535 264 HA ASP 34 HA ASP 34 7.575 7.243 -14.463 265 HB2 ASP 34 1HB ASP 34 6.587 5.134 -14.821 266 HB3 ASP 34 2HB ASP 34 5.301 6.108 -14.114 267 H TYR 35 H TYR 35 7.545 5.250 -16.553 268 HA TYR 35 HA TYR 35 9.255 6.399 -18.401 269 HB2 TYR 35 1HB TYR 35 8.652 4.359 -19.833 270 HB3 TYR 35 2HB TYR 35 9.311 4.052 -18.230 271 HD1 TYR 35 1HD TYR 35 6.161 4.165 -20.182 272 HD2 TYR 35 2HD TYR 35 8.082 2.827 -16.629 273 HE1 TYR 35 1HE TYR 35 4.200 2.780 -19.650 274 HE2 TYR 35 2HE TYR 35 6.127 1.438 -16.088 275 HH TYR 35 HH TYR 35 4.241 0.379 -17.255 276 H GLN 36 H GLN 36 5.765 6.155 -18.438 277 HA GLN 36 HA GLN 36 5.670 7.339 -21.117 278 HB2 GLN 36 1HB GLN 36 3.798 5.727 -19.477 279 HB3 GLN 36 2HB GLN 36 3.078 6.938 -20.529 280 HG2 GLN 36 1HG GLN 36 4.922 5.669 -22.148 281 HG3 GLN 36 2HG GLN 36 4.239 4.367 -21.176 282 HE21 GLN 36 1HE2 GLN 36 1.855 4.283 -21.081 283 HE22 GLN 36 2HE2 GLN 36 0.970 4.692 -22.507 284 H GLY 37 H GLY 37 6.361 8.719 -18.512 285 HA2 GLY 37 1HA GLY 37 5.698 10.585 -17.283 286 HA3 GLY 37 2HA GLY 37 5.592 11.240 -18.910 287 H LYS 38 H LYS 38 3.554 8.902 -17.167 288 HA LYS 38 HA LYS 38 1.398 10.752 -16.851 289 HB2 LYS 38 1HB LYS 38 1.537 9.121 -19.271 290 HB3 LYS 38 2HB LYS 38 0.047 8.877 -18.371 291 HG2 LYS 38 1HG LYS 38 -0.663 11.036 -18.688 292 HG3 LYS 38 2HG LYS 38 0.974 11.656 -18.912 293 HD2 LYS 38 1HD LYS 38 -0.456 9.860 -20.870 294 HD3 LYS 38 2HD LYS 38 -0.379 11.619 -20.999 295 HE2 LYS 38 1HE LYS 38 2.186 11.261 -20.841 296 HE3 LYS 38 2HE LYS 38 1.811 9.599 -21.291 297 HZ1 LYS 38 3HZ LYS 38 2.342 11.146 -23.173 298 HZ2 LYS 38 1HZ LYS 38 0.878 11.933 -22.859 299 HZ3 LYS 38 2HZ LYS 38 0.881 10.307 -23.322 300 HA PRO 39 HA PRO 39 -0.111 6.449 -15.340 301 HB2 PRO 39 1HB PRO 39 1.297 4.253 -16.091 302 HB3 PRO 39 2HB PRO 39 -0.025 4.922 -17.054 303 HG2 PRO 39 1HG PRO 39 2.929 5.271 -17.391 304 HG3 PRO 39 2HG PRO 39 1.690 4.977 -18.625 305 HD2 PRO 39 1HD PRO 39 2.711 7.438 -18.142 306 HD3 PRO 39 2HD PRO 39 1.036 7.187 -18.673 307 H MET 40 H MET 40 0.835 7.495 -13.466 308 HA MET 40 HA MET 40 2.790 5.793 -12.180 309 HB2 MET 40 1HB MET 40 4.137 7.529 -13.379 310 HB3 MET 40 2HB MET 40 3.328 8.757 -12.414 311 HG2 MET 40 1HG MET 40 5.478 8.290 -11.466 312 HG3 MET 40 2HG MET 40 4.222 7.705 -10.376 313 HE1 MET 40 3HE MET 40 4.508 4.716 -9.521 314 HE2 MET 40 1HE MET 40 6.225 5.034 -9.276 315 HE3 MET 40 2HE MET 40 5.047 6.325 -9.039 316 H PHE 41 H PHE 41 2.842 6.036 -9.899 317 HA PHE 41 HA PHE 41 1.317 7.994 -8.524 318 HB2 PHE 41 1HB PHE 41 -0.687 6.991 -9.075 319 HB3 PHE 41 2HB PHE 41 0.024 5.383 -9.172 320 HD1 PHE 41 1HD PHE 41 -0.717 8.048 -6.675 321 HD2 PHE 41 2HD PHE 41 -0.402 3.881 -7.483 322 HE1 PHE 41 1HE PHE 41 -1.551 7.550 -4.415 323 HE2 PHE 41 2HE PHE 41 -1.236 3.377 -5.224 324 HZ PHE 41 HZ PHE 41 -1.813 5.212 -3.687 325 H TYR 42 H TYR 42 1.681 7.950 -6.324 326 HA TYR 42 HA TYR 42 3.340 5.733 -5.321 327 HB2 TYR 42 1HB TYR 42 3.701 8.661 -4.653 328 HB3 TYR 42 2HB TYR 42 4.683 7.326 -4.060 329 HD1 TYR 42 2HD TYR 42 3.858 9.367 -7.012 330 HD2 TYR 42 1HD TYR 42 6.410 6.361 -5.412 331 HE1 TYR 42 2HE TYR 42 5.364 9.627 -8.940 332 HE2 TYR 42 1HE TYR 42 7.923 6.614 -7.335 333 HH TYR 42 HH TYR 42 7.093 8.652 -10.070 334 H VAL 43 H VAL 43 2.972 5.055 -3.242 335 HA VAL 43 HA VAL 43 0.571 6.164 -1.955 336 HB VAL 43 HB VAL 43 1.800 3.506 -1.278 337 HG11 VAL 43 1HG1 VAL 43 -0.077 3.121 -0.084 338 HG12 VAL 43 2HG1 VAL 43 -0.166 4.883 -0.058 339 HG13 VAL 43 3HG1 VAL 43 -1.112 3.968 -1.232 340 HG21 VAL 43 3HG2 VAL 43 -0.432 3.112 -2.964 341 HG22 VAL 43 1HG2 VAL 43 0.651 4.236 -3.786 342 HG23 VAL 43 2HG2 VAL 43 1.248 2.663 -3.258 343 H LEU 44 H LEU 44 1.559 7.840 -0.811 344 HA LEU 44 HA LEU 44 3.840 7.447 0.847 345 HB2 LEU 44 1HB LEU 44 1.782 9.615 0.608 346 HB3 LEU 44 2HB LEU 44 3.017 9.658 1.864 347 HG LEU 44 HG LEU 44 3.672 11.057 0.008 348 HD11 LEU 44 1HD1 LEU 44 5.855 10.138 -0.437 349 HD12 LEU 44 2HD1 LEU 44 5.306 8.524 0.014 350 HD13 LEU 44 3HD1 LEU 44 5.405 9.795 1.233 351 HD21 LEU 44 3HD2 LEU 44 3.825 8.683 -1.802 352 HD22 LEU 44 1HD2 LEU 44 3.767 10.399 -2.204 353 HD23 LEU 44 2HD2 LEU 44 2.312 9.577 -1.639 354 H PHE 45 H PHE 45 3.580 5.839 2.328 355 HA PHE 45 HA PHE 45 1.563 6.321 4.412 356 HB2 PHE 45 1HB PHE 45 1.272 3.868 4.643 357 HB3 PHE 45 2HB PHE 45 0.747 4.468 3.073 358 HD1 PHE 45 1HD PHE 45 3.733 2.996 4.745 359 HD2 PHE 45 2HD PHE 45 1.459 3.387 1.169 360 HE1 PHE 45 1HE PHE 45 5.201 1.362 3.638 361 HE2 PHE 45 2HE PHE 45 2.923 1.753 0.055 362 HZ PHE 45 HZ PHE 45 4.796 0.737 1.290 363 H GLU 46 H GLU 46 2.102 5.272 6.492 364 HA GLU 46 HA GLU 46 5.010 5.329 6.920 365 HB2 GLU 46 1HB GLU 46 3.284 6.896 8.141 366 HB3 GLU 46 2HB GLU 46 3.034 5.485 9.160 367 HG2 GLU 46 1HG GLU 46 5.835 5.926 8.852 368 HG3 GLU 46 2HG GLU 46 5.058 7.431 9.339 369 H LEU 47 H LEU 47 5.258 3.128 6.247 370 HA LEU 47 HA LEU 47 3.921 1.025 7.683 371 HB2 LEU 47 1HB LEU 47 4.519 0.628 5.403 372 HB3 LEU 47 2HB LEU 47 6.205 1.034 5.721 373 HG LEU 47 HG LEU 47 5.481 -1.453 5.433 374 HD11 LEU 47 1HD1 LEU 47 7.695 -0.366 6.273 375 HD12 LEU 47 2HD1 LEU 47 7.407 -2.088 6.519 376 HD13 LEU 47 3HD1 LEU 47 7.162 -0.955 7.848 377 HD21 LEU 47 3HD2 LEU 47 5.129 -1.388 8.382 378 HD22 LEU 47 1HD2 LEU 47 4.529 -2.545 7.194 379 HD23 LEU 47 2HD2 LEU 47 3.745 -0.975 7.369 380 H THR 48 H THR 48 4.422 0.557 9.713 381 HA THR 48 HA THR 48 7.234 0.788 10.564 382 HB THR 48 HB THR 48 4.859 0.748 12.423 383 HG1 THR 48 1HG THR 48 6.200 3.016 11.327 384 HG21 THR 48 3HG2 THR 48 7.618 1.891 12.830 385 HG22 THR 48 1HG2 THR 48 7.181 0.242 13.274 386 HG23 THR 48 2HG2 THR 48 6.374 1.607 14.047 387 H ASN 49 H ASN 49 8.273 -1.030 11.041 388 HA ASN 49 HA ASN 49 6.878 -3.549 11.016 389 HB2 ASN 49 1HB ASN 49 9.189 -3.091 10.019 390 HB3 ASN 49 2HB ASN 49 9.792 -3.138 11.673 391 HD21 ASN 49 1HD2 ASN 49 10.796 -4.988 11.965 392 HD22 ASN 49 2HD2 ASN 49 10.218 -6.546 11.490 393 H THR 50 H THR 50 5.567 -3.452 12.867 394 HA THR 50 HA THR 50 6.603 -2.945 15.469 395 HB THR 50 HB THR 50 4.425 -4.009 16.234 396 HG1 THR 50 1HG THR 50 3.851 -5.308 14.551 397 HG21 THR 50 3HG2 THR 50 3.065 -2.131 14.951 398 HG22 THR 50 1HG2 THR 50 4.686 -1.609 14.493 399 HG23 THR 50 2HG2 THR 50 4.245 -1.727 16.197 400 H THR 51 H THR 51 6.910 -5.573 13.411 401 HA THR 51 HA THR 51 6.815 -7.710 15.289 402 HB THR 51 HB THR 51 7.705 -9.099 13.585 403 HG1 THR 51 1HG THR 51 8.620 -8.050 11.648 404 HG21 THR 51 3HG2 THR 51 6.368 -8.497 11.596 405 HG22 THR 51 1HG2 THR 51 6.092 -6.899 12.287 406 HG23 THR 51 2HG2 THR 51 5.454 -8.331 13.095 407 H GLU 52 H GLU 52 9.176 -9.101 14.841 408 HA GLU 52 HA GLU 52 11.245 -7.365 16.006 409 HB2 GLU 52 1HB GLU 52 11.817 -8.997 17.644 410 HB3 GLU 52 2HB GLU 52 10.076 -8.769 17.739 411 HG2 GLU 52 1HG GLU 52 10.013 -10.806 16.109 412 HG3 GLU 52 2HG GLU 52 11.630 -11.106 16.742 413 H LYS 53 H LYS 53 10.658 -8.649 13.307 414 HA LYS 53 HA LYS 53 13.155 -10.182 13.023 415 HB2 LYS 53 1HB LYS 53 10.676 -10.129 11.295 416 HB3 LYS 53 2HB LYS 53 12.152 -10.989 10.875 417 HG2 LYS 53 1HG LYS 53 11.520 -11.839 13.456 418 HG3 LYS 53 2HG LYS 53 9.985 -11.794 12.584 419 HD2 LYS 53 1HD LYS 53 10.898 -13.196 10.835 420 HD3 LYS 53 2HD LYS 53 12.488 -13.167 11.602 421 HE2 LYS 53 1HE LYS 53 11.930 -14.773 13.057 422 HE3 LYS 53 2HE LYS 53 10.364 -14.039 13.397 423 HZ1 LYS 53 3HZ LYS 53 9.370 -15.497 12.078 424 HZ2 LYS 53 1HZ LYS 53 10.840 -16.324 11.938 425 HZ3 LYS 53 2HZ LYS 53 10.413 -15.159 10.790 426 H THR 54 H THR 54 14.381 -9.845 11.025 427 HA THR 54 HA THR 54 14.319 -7.014 10.231 428 HB THR 54 HB THR 54 16.658 -8.832 9.739 429 HG1 THR 54 1HG THR 54 16.524 -9.050 11.902 430 HG21 THR 54 3HG2 THR 54 17.825 -6.582 10.159 431 HG22 THR 54 1HG2 THR 54 16.220 -5.871 9.998 432 HG23 THR 54 2HG2 THR 54 16.925 -6.772 8.655 433 H GLN 55 H GLN 55 12.738 -9.299 9.086 434 HA GLN 55 HA GLN 55 13.724 -10.072 6.591 435 HB2 GLN 55 1HB GLN 55 10.821 -9.574 7.257 436 HB3 GLN 55 2HB GLN 55 11.459 -10.659 6.029 437 HG2 GLN 55 1HG GLN 55 12.026 -12.267 7.538 438 HG3 GLN 55 2HG GLN 55 12.273 -11.110 8.845 439 HE21 GLN 55 1HE2 GLN 55 10.165 -9.912 9.433 440 HE22 GLN 55 2HE2 GLN 55 8.777 -10.921 9.639 441 H ASN 56 H ASN 56 12.295 -9.394 4.534 442 HA ASN 56 HA ASN 56 13.144 -6.774 3.880 443 HB2 ASN 56 1HB ASN 56 12.724 -8.824 2.335 444 HB3 ASN 56 2HB ASN 56 11.056 -8.258 2.310 445 HD21 ASN 56 1HD2 ASN 56 14.298 -7.669 1.288 446 HD22 ASN 56 2HD2 ASN 56 13.947 -6.362 0.213 447 H ILE 57 H ILE 57 11.522 -5.212 2.791 448 HA ILE 57 HA ILE 57 9.460 -4.638 4.776 449 HB ILE 57 HB ILE 57 10.188 -2.847 2.477 450 HG12 ILE 57 1HG1 ILE 57 11.535 -2.016 4.839 451 HG13 ILE 57 2HG1 ILE 57 11.937 -3.709 4.570 452 HG21 ILE 57 1HG2 ILE 57 8.679 -2.628 5.001 453 HG22 ILE 57 2HG2 ILE 57 9.682 -1.243 4.572 454 HG23 ILE 57 3HG2 ILE 57 8.438 -1.810 3.458 455 HD11 ILE 57 3HD1 ILE 57 13.577 -2.726 3.353 456 HD12 ILE 57 1HD1 ILE 57 12.335 -2.846 2.107 457 HD13 ILE 57 2HD1 ILE 57 12.593 -1.319 2.951 458 H GLN 58 H GLN 58 9.755 -4.684 1.221 459 HA GLN 58 HA GLN 58 7.107 -4.335 0.555 460 HB2 GLN 58 1HB GLN 58 8.681 -4.325 -1.203 461 HB3 GLN 58 2HB GLN 58 9.297 -5.914 -0.772 462 HG2 GLN 58 1HG GLN 58 7.296 -6.970 -1.560 463 HG3 GLN 58 2HG GLN 58 6.532 -5.406 -1.838 464 HE21 GLN 58 1HE2 GLN 58 8.411 -3.980 -3.105 465 HE22 GLN 58 2HE2 GLN 58 8.832 -4.713 -4.612 466 H LEU 59 H LEU 59 8.702 -7.203 1.755 467 HA LEU 59 HA LEU 59 6.854 -9.161 1.083 468 HB2 LEU 59 1HB LEU 59 9.067 -8.884 2.867 469 HB3 LEU 59 2HB LEU 59 7.754 -9.707 3.707 470 HG LEU 59 HG LEU 59 9.188 -11.365 2.770 471 HD11 LEU 59 1HD1 LEU 59 6.983 -11.346 0.768 472 HD12 LEU 59 2HD1 LEU 59 6.584 -11.447 2.482 473 HD13 LEU 59 3HD1 LEU 59 7.613 -12.674 1.743 474 HD21 LEU 59 3HD2 LEU 59 10.110 -11.343 0.686 475 HD22 LEU 59 1HD2 LEU 59 9.945 -9.605 0.941 476 HD23 LEU 59 2HD2 LEU 59 8.753 -10.470 -0.029 477 H MET 60 H MET 60 6.638 -6.614 3.418 478 HA MET 60 HA MET 60 4.289 -7.807 4.680 479 HB2 MET 60 1HB MET 60 5.463 -5.118 5.344 480 HB3 MET 60 2HB MET 60 4.490 -6.168 6.364 481 HG2 MET 60 1HG MET 60 6.646 -7.746 5.846 482 HG3 MET 60 2HG MET 60 7.372 -6.141 5.894 483 HE1 MET 60 3HE MET 60 6.713 -4.405 8.051 484 HE2 MET 60 1HE MET 60 5.031 -4.901 7.856 485 HE3 MET 60 2HE MET 60 5.802 -4.999 9.440 486 H ILE 61 H ILE 61 5.215 -4.870 2.908 487 HA ILE 61 HA ILE 61 2.727 -3.625 2.849 488 HB ILE 61 HB ILE 61 4.932 -3.568 0.789 489 HG12 ILE 61 1HG1 ILE 61 5.589 -2.733 2.994 490 HG13 ILE 61 2HG1 ILE 61 5.487 -1.409 1.838 491 HG21 ILE 61 1HG2 ILE 61 3.500 -2.517 -0.548 492 HG22 ILE 61 2HG2 ILE 61 2.262 -2.476 0.707 493 HG23 ILE 61 3HG2 ILE 61 3.479 -1.202 0.627 494 HD11 ILE 61 3HD1 ILE 61 3.535 -2.107 4.010 495 HD12 ILE 61 1HD1 ILE 61 4.534 -0.661 3.871 496 HD13 ILE 61 2HD1 ILE 61 3.205 -0.927 2.742 497 H GLN 62 H GLN 62 4.054 -6.155 0.791 498 HA GLN 62 HA GLN 62 1.797 -6.120 -1.005 499 HB2 GLN 62 1HB GLN 62 4.283 -7.768 -0.747 500 HB3 GLN 62 2HB GLN 62 2.957 -8.352 -1.745 501 HG2 GLN 62 1HG GLN 62 3.061 -6.077 -2.899 502 HG3 GLN 62 2HG GLN 62 4.620 -5.886 -2.099 503 HE21 GLN 62 1HE2 GLN 62 5.613 -8.434 -2.237 504 HE22 GLN 62 2HE2 GLN 62 5.887 -8.863 -3.888 505 H SER 63 H SER 63 2.078 -7.096 2.077 506 HA SER 63 HA SER 63 0.194 -9.333 1.708 507 HB2 SER 63 1HB SER 63 2.413 -8.960 3.706 508 HB3 SER 63 2HB SER 63 1.054 -10.029 4.050 509 HG SER 63 HG SER 63 3.126 -10.784 2.853 510 H PHE 64 H PHE 64 0.373 -6.201 2.565 511 HA PHE 64 HA PHE 64 -1.752 -6.457 4.591 512 HB2 PHE 64 1HB PHE 64 0.414 -4.389 4.263 513 HB3 PHE 64 2HB PHE 64 -1.036 -4.066 5.208 514 HD1 PHE 64 1HD PHE 64 -1.485 -6.626 6.546 515 HD2 PHE 64 2HD PHE 64 2.138 -4.522 5.796 516 HE1 PHE 64 1HE PHE 64 -0.454 -7.711 8.499 517 HE2 PHE 64 2HE PHE 64 3.175 -5.605 7.746 518 HZ PHE 64 HZ PHE 64 1.879 -7.202 9.101 519 H MET 65 H MET 65 -0.603 -4.591 1.811 520 HA MET 65 HA MET 65 -3.364 -3.642 1.404 521 HB2 MET 65 1HB MET 65 -2.063 -1.885 -0.071 522 HB3 MET 65 2HB MET 65 -2.232 -1.660 1.665 523 HG2 MET 65 1HG MET 65 0.009 -2.722 1.941 524 HG3 MET 65 2HG MET 65 0.167 -2.705 0.186 525 HE1 MET 65 3HE MET 65 -0.604 -0.429 -1.078 526 HE2 MET 65 1HE MET 65 -1.607 0.423 0.097 527 HE3 MET 65 2HE MET 65 -0.128 1.170 -0.506 528 H GLU 66 H GLU 66 -4.350 -4.672 -0.195 529 HA GLU 66 HA GLU 66 -2.734 -5.710 -2.422 530 HB2 GLU 66 1HB GLU 66 -4.686 -6.939 -0.839 531 HB3 GLU 66 2HB GLU 66 -5.478 -6.638 -2.379 532 HG2 GLU 66 1HG GLU 66 -4.123 -8.069 -3.522 533 HG3 GLU 66 2HG GLU 66 -2.768 -7.845 -2.417 534 H VAL 67 H VAL 67 -2.642 -3.820 -3.647 535 HA VAL 67 HA VAL 67 -5.124 -2.534 -4.453 536 HB VAL 67 HB VAL 67 -3.282 -1.057 -3.983 537 HG11 VAL 67 1HG1 VAL 67 -1.785 -3.006 -5.576 538 HG12 VAL 67 2HG1 VAL 67 -1.387 -1.322 -5.924 539 HG13 VAL 67 3HG1 VAL 67 -1.243 -1.942 -4.278 540 HG21 VAL 67 3HG2 VAL 67 -3.141 0.175 -6.109 541 HG22 VAL 67 1HG2 VAL 67 -3.808 -1.226 -6.949 542 HG23 VAL 67 2HG2 VAL 67 -4.784 -0.363 -5.761 543 H SER 68 H SER 68 -5.856 -2.392 -6.587 544 HA SER 68 HA SER 68 -4.565 -3.610 -8.790 545 HB2 SER 68 1HB SER 68 -6.224 -5.489 -9.097 546 HB3 SER 68 2HB SER 68 -5.088 -5.716 -7.767 547 HG SER 68 HG SER 68 -7.817 -4.995 -7.654 548 H GLN 69 H GLN 69 -5.897 -3.583 -10.739 549 HA GLN 69 HA GLN 69 -8.385 -2.064 -10.540 550 HB2 GLN 69 1HB GLN 69 -6.130 -1.220 -12.365 551 HB3 GLN 69 2HB GLN 69 -7.689 -0.428 -12.181 552 HG2 GLN 69 1HG GLN 69 -7.040 -0.078 -9.746 553 HG3 GLN 69 2HG GLN 69 -5.409 -0.531 -10.239 554 HE21 GLN 69 1HE2 GLN 69 -7.946 1.441 -11.742 555 HE22 GLN 69 2HE2 GLN 69 -6.968 2.850 -11.947 556 H THR 70 H THR 70 -9.613 -2.050 -12.559 557 HA THR 70 HA THR 70 -9.738 -4.607 -13.732 558 HB THR 70 HB THR 70 -10.980 -2.557 -15.375 559 HG1 THR 70 1HG THR 70 -11.864 -1.356 -13.872 560 HG21 THR 70 3HG2 THR 70 -12.761 -4.179 -13.779 561 HG22 THR 70 1HG2 THR 70 -11.487 -5.159 -14.504 562 HG23 THR 70 2HG2 THR 70 -12.523 -4.163 -15.526 563 H VAL 71 H VAL 71 -8.561 -5.470 -15.302 564 HA VAL 71 HA VAL 71 -7.240 -3.668 -17.227 565 HB VAL 71 HB VAL 71 -6.189 -6.299 -16.175 566 HG11 VAL 71 1HG1 VAL 71 -4.156 -5.719 -17.451 567 HG12 VAL 71 2HG1 VAL 71 -5.560 -5.980 -18.487 568 HG13 VAL 71 3HG1 VAL 71 -5.010 -4.340 -18.141 569 HG21 VAL 71 3HG2 VAL 71 -5.958 -4.620 -14.487 570 HG22 VAL 71 1HG2 VAL 71 -4.378 -4.857 -15.233 571 HG23 VAL 71 2HG2 VAL 71 -5.352 -3.449 -15.658 572 H HIS 72 H HIS 72 -8.538 -3.819 -18.975 573 HA HIS 72 HA HIS 72 -9.489 -4.690 -20.850 574 HB2 HIS 72 1HB HIS 72 -7.302 -6.482 -20.221 575 HB3 HIS 72 2HB HIS 72 -8.629 -7.352 -20.985 576 HD1 HIS 72 1HD HIS 72 -9.447 -6.263 -23.346 577 HD2 HIS 72 2HD HIS 72 -5.691 -5.154 -21.958 578 HE1 HIS 72 1HE HIS 72 -8.246 -5.317 -25.342 579 H GLY 73 H GLY 73 -10.444 -5.301 -17.961 580 HA2 GLY 73 1HA GLY 73 -12.748 -5.955 -17.607 581 HA3 GLY 73 2HA GLY 73 -12.522 -7.212 -18.814 582 H LYS 74 H LYS 74 -9.910 -6.813 -16.660 583 HA LYS 74 HA LYS 74 -10.912 -8.751 -14.736 584 HB2 LYS 74 1HB LYS 74 -8.695 -9.308 -16.687 585 HB3 LYS 74 2HB LYS 74 -8.728 -10.095 -15.115 586 HG2 LYS 74 1HG LYS 74 -11.293 -10.441 -16.126 587 HG3 LYS 74 2HG LYS 74 -10.223 -10.692 -17.507 588 HD2 LYS 74 1HD LYS 74 -9.630 -11.995 -14.878 589 HD3 LYS 74 2HD LYS 74 -10.822 -12.700 -15.972 590 HE2 LYS 74 1HE LYS 74 -9.202 -12.970 -17.692 591 HE3 LYS 74 2HE LYS 74 -8.021 -11.995 -16.820 592 HZ1 LYS 74 3HZ LYS 74 -8.298 -14.733 -16.729 593 HZ2 LYS 74 1HZ LYS 74 -8.884 -14.187 -15.239 594 HZ3 LYS 74 2HZ LYS 74 -7.319 -13.778 -15.734 595 H ALA 75 H ALA 75 -10.317 -8.083 -12.790 596 HA ALA 75 HA ALA 75 -8.627 -5.935 -12.286 597 HB1 ALA 75 1HB ALA 75 -10.159 -6.457 -10.603 598 HB2 ALA 75 2HB ALA 75 -9.653 -8.146 -10.539 599 HB3 ALA 75 3HB ALA 75 -8.595 -6.884 -9.908 600 H GLN 76 H GLN 76 -6.488 -5.698 -12.076 601 HA GLN 76 HA GLN 76 -4.834 -8.136 -12.019 602 HB2 GLN 76 1HB GLN 76 -4.644 -6.962 -14.154 603 HB3 GLN 76 2HB GLN 76 -4.225 -5.474 -13.315 604 HG2 GLN 76 1HG GLN 76 -2.143 -6.348 -12.610 605 HG3 GLN 76 2HG GLN 76 -2.585 -7.980 -13.108 606 HE21 GLN 76 1HE2 GLN 76 -2.007 -4.726 -14.346 607 HE22 GLN 76 2HE2 GLN 76 -1.401 -5.225 -15.885 608 H ASN 77 H ASN 77 -3.372 -8.336 -10.433 609 HA ASN 77 HA ASN 77 -3.429 -6.704 -8.171 610 HB2 ASN 77 1HB ASN 77 -1.509 -8.798 -9.151 611 HB3 ASN 77 2HB ASN 77 -1.172 -7.900 -7.675 612 HD21 ASN 77 1HD2 ASN 77 -4.257 -9.033 -8.968 613 HD22 ASN 77 2HD2 ASN 77 -4.646 -10.051 -7.627 614 H LEU 78 H LEU 78 -2.958 -4.588 -8.309 615 HA LEU 78 HA LEU 78 -1.017 -3.466 -10.023 616 HB2 LEU 78 1HB LEU 78 -2.895 -2.552 -8.034 617 HB3 LEU 78 2HB LEU 78 -1.360 -1.698 -7.886 618 HG LEU 78 HG LEU 78 -1.527 -0.982 -10.216 619 HD11 LEU 78 1HD1 LEU 78 -3.361 -1.474 -11.604 620 HD12 LEU 78 2HD1 LEU 78 -4.284 -2.175 -10.276 621 HD13 LEU 78 3HD1 LEU 78 -2.870 -3.018 -10.908 622 HD21 LEU 78 3HD2 LEU 78 -4.072 -0.392 -8.710 623 HD22 LEU 78 1HD2 LEU 78 -3.306 0.610 -9.944 624 HD23 LEU 78 2HD2 LEU 78 -2.515 0.372 -8.386 625 H GLN 79 H GLN 79 1.053 -4.098 -9.846 626 HA GLN 79 HA GLN 79 2.278 -4.168 -7.178 627 HB2 GLN 79 1HB GLN 79 3.457 -5.232 -9.743 628 HB3 GLN 79 2HB GLN 79 3.983 -5.569 -8.099 629 HG2 GLN 79 1HG GLN 79 1.449 -6.444 -7.957 630 HG3 GLN 79 2HG GLN 79 1.781 -6.737 -9.664 631 HE21 GLN 79 1HE2 GLN 79 2.475 -7.647 -6.414 632 HE22 GLN 79 2HE2 GLN 79 3.444 -9.030 -6.779 633 H TYR 80 H TYR 80 4.876 -3.778 -7.649 634 HA TYR 80 HA TYR 80 5.237 -1.063 -7.682 635 HB2 TYR 80 1HB TYR 80 6.946 -2.684 -6.944 636 HB3 TYR 80 2HB TYR 80 7.235 -3.133 -8.622 637 HD1 TYR 80 1HD TYR 80 7.455 -0.312 -6.221 638 HD2 TYR 80 2HD TYR 80 8.721 -1.893 -9.963 639 HE1 TYR 80 1HE TYR 80 9.131 1.479 -6.404 640 HE2 TYR 80 2HE TYR 80 10.401 -0.107 -10.156 641 HH TYR 80 HH TYR 80 11.513 1.510 -8.980 642 H ALA 81 H ALA 81 5.212 0.485 -9.174 643 HA ALA 81 HA ALA 81 4.868 -0.257 -11.968 644 HB1 ALA 81 1HB ALA 81 3.383 1.397 -11.784 645 HB2 ALA 81 2HB ALA 81 4.110 1.995 -10.292 646 HB3 ALA 81 3HB ALA 81 4.763 2.493 -11.853 647 H VAL 82 H VAL 82 6.290 0.160 -13.579 648 HA VAL 82 HA VAL 82 9.004 0.773 -12.845 649 HB VAL 82 HB VAL 82 7.814 0.314 -15.585 650 HG11 VAL 82 1HG1 VAL 82 10.674 0.371 -14.631 651 HG12 VAL 82 2HG1 VAL 82 10.158 -0.187 -16.224 652 HG13 VAL 82 3HG1 VAL 82 9.906 1.494 -15.752 653 HG21 VAL 82 3HG2 VAL 82 9.141 -1.573 -13.644 654 HG22 VAL 82 1HG2 VAL 82 7.480 -1.637 -14.235 655 HG23 VAL 82 2HG2 VAL 82 8.821 -1.954 -15.336 656 H LEU 83 H LEU 83 10.231 2.535 -13.474 657 HA LEU 83 HA LEU 83 9.085 4.659 -15.050 658 HB2 LEU 83 1HB LEU 83 9.399 6.360 -13.254 659 HB3 LEU 83 2HB LEU 83 8.063 5.242 -12.990 660 HG LEU 83 HG LEU 83 9.746 3.952 -11.505 661 HD11 LEU 83 1HD1 LEU 83 11.141 6.105 -10.498 662 HD12 LEU 83 2HD1 LEU 83 11.274 6.309 -12.244 663 HD13 LEU 83 3HD1 LEU 83 11.803 4.805 -11.490 664 HD21 LEU 83 3HD2 LEU 83 9.288 5.710 -9.637 665 HD22 LEU 83 1HD2 LEU 83 7.942 4.855 -10.390 666 HD23 LEU 83 2HD2 LEU 83 8.324 6.505 -10.883 667 H THR 84 H THR 84 10.615 6.301 -15.597 668 HA THR 84 HA THR 84 13.282 5.305 -15.830 669 HB THR 84 HB THR 84 13.778 7.333 -17.051 670 HG1 THR 84 1HG THR 84 11.225 8.242 -16.156 671 HG21 THR 84 3HG2 THR 84 12.630 5.758 -18.389 672 HG22 THR 84 1HG2 THR 84 11.843 7.304 -18.704 673 HG23 THR 84 2HG2 THR 84 11.081 6.128 -17.633 674 H ASP 85 H ASP 85 11.861 8.107 -14.151 675 HA ASP 85 HA ASP 85 13.897 7.899 -12.092 676 HB2 ASP 85 1HB ASP 85 14.143 10.532 -12.397 677 HB3 ASP 85 2HB ASP 85 15.177 9.398 -13.260 678 H SER 86 H SER 86 13.035 8.296 -10.158 679 HA SER 86 HA SER 86 10.515 9.822 -10.050 680 HB2 SER 86 1HB SER 86 9.790 7.697 -9.485 681 HB3 SER 86 2HB SER 86 11.324 7.260 -8.732 682 HG SER 86 HG SER 86 9.677 7.604 -7.182 683 HA PRO 87 HA PRO 87 12.491 12.555 -7.228 684 HB2 PRO 87 1HB PRO 87 10.310 13.491 -5.910 685 HB3 PRO 87 2HB PRO 87 10.706 13.961 -7.568 686 HG2 PRO 87 1HG PRO 87 8.745 11.919 -6.594 687 HG3 PRO 87 2HG PRO 87 8.561 13.120 -7.886 688 HD2 PRO 87 1HD PRO 87 9.127 10.520 -8.385 689 HD3 PRO 87 2HD PRO 87 9.719 11.840 -9.413 690 H PHE 88 H PHE 88 10.405 9.998 -6.098 691 HA PHE 88 HA PHE 88 11.483 10.257 -3.380 692 HB2 PHE 88 1HB PHE 88 9.141 8.666 -4.444 693 HB3 PHE 88 2HB PHE 88 9.692 8.622 -2.772 694 HD1 PHE 88 2HD PHE 88 10.217 11.356 -2.098 695 HD2 PHE 88 1HD PHE 88 7.116 9.743 -4.527 696 HE1 PHE 88 2HE PHE 88 8.804 13.303 -1.581 697 HE2 PHE 88 1HE PHE 88 5.699 11.688 -4.015 698 HZ PHE 88 HZ PHE 88 6.541 13.470 -2.540 699 H GLN 89 H GLN 89 13.202 9.321 -5.399 700 HA GLN 89 HA GLN 89 13.319 6.515 -5.585 701 HB2 GLN 89 1HB GLN 89 14.573 8.343 -6.942 702 HB3 GLN 89 2HB GLN 89 15.770 8.246 -5.658 703 HG2 GLN 89 1HG GLN 89 16.264 6.853 -7.662 704 HG3 GLN 89 2HG GLN 89 16.227 5.970 -6.137 705 HE21 GLN 89 1HE2 GLN 89 14.661 4.446 -5.787 706 HE22 GLN 89 2HE2 GLN 89 13.584 3.895 -7.020 707 H ASP 90 H ASP 90 14.261 8.720 -3.095 708 HA ASP 90 HA ASP 90 16.161 7.122 -1.759 709 HB2 ASP 90 1HB ASP 90 14.876 9.629 -1.339 710 HB3 ASP 90 2HB ASP 90 14.709 8.682 0.137 711 H LYS 91 H LYS 91 12.789 7.758 -0.779 712 HA LYS 91 HA LYS 91 12.701 5.613 1.060 713 HB2 LYS 91 1HB LYS 91 10.195 5.998 0.938 714 HB3 LYS 91 2HB LYS 91 11.170 7.385 1.405 715 HG2 LYS 91 1HG LYS 91 10.701 7.189 -1.471 716 HG3 LYS 91 2HG LYS 91 9.233 7.387 -0.512 717 HD2 LYS 91 1HD LYS 91 11.458 9.130 0.280 718 HD3 LYS 91 2HD LYS 91 10.833 9.427 -1.344 719 HE2 LYS 91 1HE LYS 91 9.589 10.821 0.100 720 HE3 LYS 91 2HE LYS 91 8.528 9.474 -0.308 721 HZ1 LYS 91 3HZ LYS 91 9.218 10.346 2.217 722 HZ2 LYS 91 1HZ LYS 91 10.039 8.880 2.013 723 HZ3 LYS 91 2HZ LYS 91 8.360 8.942 1.822 724 H LEU 92 H LEU 92 12.507 5.692 -2.324 725 HA LEU 92 HA LEU 92 10.770 3.484 -2.753 726 HB2 LEU 92 1HB LEU 92 12.670 5.073 -4.373 727 HB3 LEU 92 2HB LEU 92 12.281 3.458 -4.963 728 HG LEU 92 HG LEU 92 10.218 5.573 -4.358 729 HD11 LEU 92 1HD1 LEU 92 11.835 5.026 -6.787 730 HD12 LEU 92 2HD1 LEU 92 11.210 6.551 -6.160 731 HD13 LEU 92 3HD1 LEU 92 10.131 5.433 -6.996 732 HD21 LEU 92 3HD2 LEU 92 9.188 3.818 -6.189 733 HD22 LEU 92 1HD2 LEU 92 8.881 3.783 -4.453 734 HD23 LEU 92 2HD2 LEU 92 10.140 2.761 -5.146 735 H ASP 93 H ASP 93 14.019 3.754 -1.720 736 HA ASP 93 HA ASP 93 14.847 1.137 -2.597 737 HB2 ASP 93 1HB ASP 93 16.068 3.314 -0.944 738 HB3 ASP 93 2HB ASP 93 16.755 1.693 -0.876 739 H ARG 94 H ARG 94 12.693 2.063 -0.349 740 HA ARG 94 HA ARG 94 13.493 0.181 1.728 741 HB2 ARG 94 1HB ARG 94 10.959 1.812 1.657 742 HB3 ARG 94 2HB ARG 94 11.752 1.102 3.056 743 HG2 ARG 94 1HG ARG 94 12.911 3.323 1.388 744 HG3 ARG 94 2HG ARG 94 12.020 3.554 2.894 745 HD2 ARG 94 1HD ARG 94 13.809 3.056 4.125 746 HD3 ARG 94 2HD ARG 94 14.126 1.594 3.191 747 HE ARG 94 HE ARG 94 15.011 3.559 1.564 748 HH11 ARG 94 1HH1 ARG 94 15.606 2.786 4.906 749 HH12 ARG 94 2HH1 ARG 94 17.214 3.430 4.904 750 HH21 ARG 94 1HH2 ARG 94 17.127 4.411 1.549 751 HH22 ARG 94 2HH2 ARG 94 18.078 4.355 2.994 752 H LEU 95 H LEU 95 12.759 -0.766 -0.941 753 HA LEU 95 HA LEU 95 10.420 -2.404 -0.214 754 HB2 LEU 95 1HB LEU 95 11.247 -1.751 -3.028 755 HB3 LEU 95 2HB LEU 95 9.735 -2.470 -2.478 756 HG LEU 95 HG LEU 95 10.618 0.395 -2.157 757 HD11 LEU 95 1HD1 LEU 95 9.434 -0.814 -4.287 758 HD12 LEU 95 2HD1 LEU 95 9.270 0.892 -3.874 759 HD13 LEU 95 3HD1 LEU 95 8.034 -0.259 -3.368 760 HD21 LEU 95 3HD2 LEU 95 8.705 -1.193 -0.634 761 HD22 LEU 95 1HD2 LEU 95 7.997 0.251 -1.358 762 HD23 LEU 95 2HD2 LEU 95 9.393 0.394 -0.289 763 H ALA 96 H ALA 96 13.635 -2.295 -1.552 764 HA ALA 96 HA ALA 96 13.633 -5.231 -1.788 765 HB1 ALA 96 1HB ALA 96 15.159 -5.108 -3.495 766 HB2 ALA 96 2HB ALA 96 14.247 -3.623 -3.767 767 HB3 ALA 96 3HB ALA 96 15.809 -3.561 -2.951 768 H ASP 97 H ASP 97 14.020 -3.511 0.646 769 HA ASP 97 HA ASP 97 16.628 -4.624 1.440 770 HB2 ASP 97 1HB ASP 97 16.043 -1.912 1.237 771 HB3 ASP 97 2HB ASP 97 15.870 -2.257 2.956 772 H GLU 98 H GLU 98 16.722 -4.329 4.032 773 HA GLU 98 HA GLU 98 14.634 -6.057 4.997 774 HB2 GLU 98 1HB GLU 98 17.048 -4.834 6.335 775 HB3 GLU 98 2HB GLU 98 15.922 -5.902 7.160 776 HG2 GLU 98 1HG GLU 98 16.554 -7.749 5.904 777 HG3 GLU 98 2HG GLU 98 17.265 -6.759 4.631 778 H ILE 99 H ILE 99 14.061 -5.423 7.493 779 HA ILE 99 HA ILE 99 12.811 -2.760 7.313 780 HB ILE 99 HB ILE 99 11.100 -3.679 8.915 781 HG12 ILE 99 1HG1 ILE 99 12.802 -6.063 8.537 782 HG13 ILE 99 2HG1 ILE 99 11.782 -5.610 9.898 783 HG21 ILE 99 1HG2 ILE 99 9.779 -4.682 7.199 784 HG22 ILE 99 2HG2 ILE 99 10.775 -3.437 6.449 785 HG23 ILE 99 3HG2 ILE 99 11.215 -5.136 6.282 786 HD11 ILE 99 3HD1 ILE 99 9.807 -6.301 8.544 787 HD12 ILE 99 1HD1 ILE 99 10.929 -6.922 7.333 788 HD13 ILE 99 2HD1 ILE 99 10.914 -7.610 8.957 789 H ASN 100 H ASN 100 12.144 -1.987 9.622 790 HA ASN 100 HA ASN 100 14.452 -2.387 11.412 791 HB2 ASN 100 1HB ASN 100 13.175 0.071 10.393 792 HB3 ASN 100 2HB ASN 100 13.530 0.076 12.118 793 HD21 ASN 100 1HD2 ASN 100 15.282 -1.453 9.460 794 HD22 ASN 100 2HD2 ASN 100 16.755 -0.582 9.697 795 HA PRO 101 HA PRO 101 10.750 -3.734 13.769 796 HB2 PRO 101 1HB PRO 101 12.081 -5.641 15.170 797 HB3 PRO 101 2HB PRO 101 11.420 -5.921 13.555 798 HG2 PRO 101 1HG PRO 101 14.229 -5.277 14.366 799 HG3 PRO 101 2HG PRO 101 13.650 -6.461 13.178 800 HD2 PRO 101 1HD PRO 101 14.623 -4.037 12.464 801 HD3 PRO 101 2HD PRO 101 13.348 -4.862 11.545 802 H GLY 102 H GLY 102 10.522 -1.929 15.062 803 HA2 GLY 102 1HA GLY 102 10.568 -1.434 17.462 804 HA3 GLY 102 2HA GLY 102 12.276 -1.848 17.438 805 H GLU 103 H GLU 103 11.491 -0.177 14.655 806 HA GLU 103 HA GLU 103 12.396 2.358 15.854 807 HB2 GLU 103 1HB GLU 103 13.944 1.122 14.219 808 HB3 GLU 103 2HB GLU 103 12.797 1.589 12.971 809 HG2 GLU 103 1HG GLU 103 13.475 3.725 12.959 810 HG3 GLU 103 2HG GLU 103 13.696 3.776 14.707 811 H THR 104 H THR 104 11.755 4.311 14.547 812 HA THR 104 HA THR 104 9.032 3.972 13.468 813 HB THR 104 HB THR 104 8.673 5.050 15.522 814 HG1 THR 104 1HG THR 104 7.563 6.580 14.588 815 HG21 THR 104 3HG2 THR 104 10.990 6.882 14.889 816 HG22 THR 104 1HG2 THR 104 11.025 5.545 16.038 817 HG23 THR 104 2HG2 THR 104 9.987 6.939 16.338 818 H ILE 105 H ILE 105 9.639 3.990 11.316 819 HA ILE 105 HA ILE 105 10.634 6.577 10.332 820 HB ILE 105 HB ILE 105 11.915 5.465 8.585 821 HG12 ILE 105 1HG1 ILE 105 12.064 2.808 9.618 822 HG13 ILE 105 2HG1 ILE 105 10.368 3.204 9.367 823 HG21 ILE 105 1HG2 ILE 105 12.476 5.130 11.440 824 HG22 ILE 105 2HG2 ILE 105 13.409 4.070 10.384 825 HG23 ILE 105 3HG2 ILE 105 13.473 5.818 10.159 826 HD11 ILE 105 3HD1 ILE 105 10.582 2.891 7.194 827 HD12 ILE 105 1HD1 ILE 105 11.890 4.071 7.112 828 HD13 ILE 105 2HD1 ILE 105 12.249 2.380 7.463 829 H GLN 106 H GLN 106 10.426 6.319 7.695 830 HA GLN 106 HA GLN 106 7.748 5.279 7.112 831 HB2 GLN 106 1HB GLN 106 8.607 8.009 6.174 832 HB3 GLN 106 2HB GLN 106 6.999 7.297 6.122 833 HG2 GLN 106 1HG GLN 106 7.327 7.250 8.742 834 HG3 GLN 106 2HG GLN 106 8.445 8.564 8.378 835 HE21 GLN 106 1HE2 GLN 106 7.171 10.091 9.403 836 HE22 GLN 106 2HE2 GLN 106 5.680 10.653 8.735 837 H GLY 107 H GLY 107 7.320 5.598 4.633 838 HA2 GLY 107 1HA GLY 107 9.619 5.568 2.925 839 HA3 GLY 107 2HA GLY 107 8.992 3.951 3.211 840 H ALA 108 H ALA 108 8.596 3.885 0.909 841 HA ALA 108 HA ALA 108 5.946 4.926 0.276 842 HB1 ALA 108 1HB ALA 108 6.693 5.723 -1.944 843 HB2 ALA 108 2HB ALA 108 7.383 6.646 -0.608 844 HB3 ALA 108 3HB ALA 108 8.363 5.445 -1.449 845 H TYR 109 H TYR 109 5.315 4.060 -2.018 846 HA TYR 109 HA TYR 109 6.492 1.701 -3.000 847 HB2 TYR 109 1HB TYR 109 5.540 0.991 -0.694 848 HB3 TYR 109 2HB TYR 109 3.970 1.086 -1.484 849 HD1 TYR 109 1HD TYR 109 4.020 -0.137 -3.924 850 HD2 TYR 109 2HD TYR 109 6.460 -1.112 -0.577 851 HE1 TYR 109 1HE TYR 109 4.327 -2.408 -4.817 852 HE2 TYR 109 2HE TYR 109 6.774 -3.385 -1.461 853 HH TYR 109 HH TYR 109 5.131 -4.452 -4.414 854 HA PRO 110 HA PRO 110 3.433 3.729 -5.761 855 HB2 PRO 110 1HB PRO 110 4.978 3.499 -7.981 856 HB3 PRO 110 2HB PRO 110 5.140 4.832 -6.832 857 HG2 PRO 110 1HG PRO 110 6.773 2.336 -7.080 858 HG3 PRO 110 2HG PRO 110 7.312 4.002 -6.799 859 HD2 PRO 110 1HD PRO 110 7.105 2.181 -4.805 860 HD3 PRO 110 2HD PRO 110 6.819 3.914 -4.549 861 H TYR 111 H TYR 111 2.085 2.813 -7.311 862 HA TYR 111 HA TYR 111 2.552 -0.032 -7.914 863 HB2 TYR 111 1HB TYR 111 -0.058 1.298 -7.167 864 HB3 TYR 111 2HB TYR 111 0.079 -0.349 -7.770 865 HD1 TYR 111 1HD TYR 111 1.775 -1.870 -6.413 866 HD2 TYR 111 2HD TYR 111 -0.109 1.625 -4.882 867 HE1 TYR 111 1HE TYR 111 2.143 -2.682 -4.121 868 HE2 TYR 111 2HE TYR 111 0.256 0.822 -2.586 869 HH TYR 111 HH TYR 111 1.067 -2.317 -1.843 870 H GLU 112 H GLU 112 0.794 -0.692 -9.683 871 HA GLU 112 HA GLU 112 1.536 0.682 -12.039 872 HB2 GLU 112 1HB GLU 112 0.064 -1.702 -11.342 873 HB3 GLU 112 2HB GLU 112 -0.765 -0.822 -12.619 874 HG2 GLU 112 1HG GLU 112 0.666 -1.582 -14.117 875 HG3 GLU 112 2HG GLU 112 2.018 -0.897 -13.217 876 H PHE 113 H PHE 113 0.591 2.286 -13.150 877 HA PHE 113 HA PHE 113 -1.970 3.318 -12.125 878 HB2 PHE 113 1HB PHE 113 0.360 4.665 -12.139 879 HB3 PHE 113 2HB PHE 113 -0.223 5.084 -13.746 880 HD1 PHE 113 1HD PHE 113 -1.921 4.649 -10.453 881 HD2 PHE 113 2HD PHE 113 -1.073 7.213 -13.743 882 HE1 PHE 113 1HE PHE 113 -3.366 6.381 -9.471 883 HE2 PHE 113 2HE PHE 113 -2.516 8.949 -12.766 884 HZ PHE 113 HZ PHE 113 -3.664 8.535 -10.627 885 H ILE 114 H ILE 114 -0.977 1.436 -14.470 886 HA ILE 114 HA ILE 114 -1.541 2.418 -16.937 887 HB ILE 114 HB ILE 114 -2.487 -0.245 -15.871 888 HG12 ILE 114 1HG1 ILE 114 0.070 0.526 -17.295 889 HG13 ILE 114 2HG1 ILE 114 -0.071 0.122 -15.587 890 HG21 ILE 114 1HG2 ILE 114 -3.383 -0.605 -17.867 891 HG22 ILE 114 2HG2 ILE 114 -2.901 1.008 -18.392 892 HG23 ILE 114 3HG2 ILE 114 -1.805 -0.356 -18.614 893 HD11 ILE 114 3HD1 ILE 114 0.650 -1.869 -16.398 894 HD12 ILE 114 1HD1 ILE 114 -1.090 -2.105 -16.568 895 HD13 ILE 114 2HD1 ILE 114 -0.122 -1.639 -17.967 896 H ASN 115 H ASN 115 -3.922 1.369 -14.527 897 HA ASN 115 HA ASN 115 -6.119 2.190 -16.244 898 HB2 ASN 115 1HB ASN 115 -5.983 0.876 -13.533 899 HB3 ASN 115 2HB ASN 115 -7.502 1.437 -14.227 900 HD21 ASN 115 1HD2 ASN 115 -7.343 0.775 -16.807 901 HD22 ASN 115 2HD2 ASN 115 -7.188 -0.935 -17.001 902 H GLU 116 H GLU 116 -4.572 4.350 -15.726 903 HA GLU 116 HA GLU 116 -5.144 5.839 -13.436 904 HB2 GLU 116 1HB GLU 116 -4.429 7.788 -14.705 905 HB3 GLU 116 2HB GLU 116 -3.373 6.424 -15.043 906 HG2 GLU 116 1HG GLU 116 -3.676 6.930 -17.184 907 HG3 GLU 116 2HG GLU 116 -5.269 6.197 -17.002 908 H ASN 117 H ASN 117 -7.035 5.238 -16.286 909 HA ASN 117 HA ASN 117 -8.888 7.388 -15.854 910 HB2 ASN 117 1HB ASN 117 -9.574 4.980 -17.494 911 HB3 ASN 117 2HB ASN 117 -9.954 6.675 -17.786 912 HD21 ASN 117 1HD2 ASN 117 -7.468 4.227 -17.945 913 HD22 ASN 117 2HD2 ASN 117 -6.450 5.058 -19.067 914 H LYS 118 H LYS 118 -8.714 3.979 -15.038 915 HA LYS 118 HA LYS 118 -11.396 4.008 -13.904 916 HB2 LYS 118 1HB LYS 118 -9.416 1.737 -13.798 917 HB3 LYS 118 2HB LYS 118 -11.165 1.656 -13.636 918 HG2 LYS 118 1HG LYS 118 -9.739 2.470 -16.158 919 HG3 LYS 118 2HG LYS 118 -10.297 0.832 -15.811 920 HD2 LYS 118 1HD LYS 118 -12.595 1.952 -15.418 921 HD3 LYS 118 2HD LYS 118 -11.905 3.313 -16.305 922 HE2 LYS 118 1HE LYS 118 -11.243 1.428 -18.018 923 HE3 LYS 118 2HE LYS 118 -12.572 0.565 -17.246 924 HZ1 LYS 118 3HZ LYS 118 -13.147 3.303 -17.998 925 HZ2 LYS 118 1HZ LYS 118 -14.092 1.910 -18.170 926 HZ3 LYS 118 2HZ LYS 118 -12.875 2.249 -19.294 927 HA PRO 119 HA PRO 119 -10.211 4.765 -9.745 928 HB2 PRO 119 1HB PRO 119 -11.997 3.230 -8.394 929 HB3 PRO 119 2HB PRO 119 -12.448 4.724 -9.223 930 HG2 PRO 119 1HG PRO 119 -12.744 1.888 -10.135 931 HG3 PRO 119 2HG PRO 119 -13.896 3.230 -10.263 932 HD2 PRO 119 1HD PRO 119 -12.356 2.429 -12.341 933 HD3 PRO 119 2HD PRO 119 -12.847 4.120 -12.113 934 H VAL 120 H VAL 120 -8.891 3.978 -8.160 935 HA VAL 120 HA VAL 120 -7.900 1.247 -8.535 936 HB VAL 120 HB VAL 120 -6.675 3.338 -6.748 937 HG11 VAL 120 1HG1 VAL 120 -5.859 0.703 -7.860 938 HG12 VAL 120 2HG1 VAL 120 -4.615 1.929 -7.607 939 HG13 VAL 120 3HG1 VAL 120 -5.603 1.380 -6.252 940 HG21 VAL 120 3HG2 VAL 120 -5.156 3.288 -9.053 941 HG22 VAL 120 1HG2 VAL 120 -6.816 3.295 -9.649 942 HG23 VAL 120 2HG2 VAL 120 -6.263 4.570 -8.563 943 H HIS 121 H HIS 121 -9.112 -0.154 -7.395 944 HA HIS 121 HA HIS 121 -10.301 0.471 -4.879 945 HB2 HIS 121 1HB HIS 121 -11.311 -1.173 -6.378 946 HB3 HIS 121 2HB HIS 121 -9.885 -2.197 -6.244 947 HD1 HIS 121 1HD HIS 121 -12.588 -0.776 -3.980 948 HD2 HIS 121 2HD HIS 121 -10.062 -4.060 -4.285 949 HE1 HIS 121 1HE HIS 121 -13.253 -2.313 -2.103 950 H PHE 122 H PHE 122 -8.330 1.238 -3.811 951 HA PHE 122 HA PHE 122 -6.178 -0.495 -3.209 952 HB2 PHE 122 1HB PHE 122 -7.167 2.028 -1.876 953 HB3 PHE 122 2HB PHE 122 -5.700 1.188 -1.382 954 HD1 PHE 122 1HD PHE 122 -4.064 0.647 -3.422 955 HD2 PHE 122 2HD PHE 122 -6.937 3.785 -3.323 956 HE1 PHE 122 1HE PHE 122 -2.788 1.865 -5.138 957 HE2 PHE 122 2HE PHE 122 -5.667 5.007 -5.039 958 HZ PHE 122 HZ PHE 122 -3.590 4.048 -5.949 959 H LYS 123 H LYS 123 -6.097 -2.163 -1.869 960 HA LYS 123 HA LYS 123 -8.209 -2.448 0.154 961 HB2 LYS 123 1HB LYS 123 -7.662 -4.217 -1.717 962 HB3 LYS 123 2HB LYS 123 -6.374 -4.683 -0.615 963 HG2 LYS 123 1HG LYS 123 -8.118 -4.947 1.164 964 HG3 LYS 123 2HG LYS 123 -9.335 -4.713 -0.093 965 HD2 LYS 123 1HD LYS 123 -7.214 -6.758 -0.529 966 HD3 LYS 123 2HD LYS 123 -8.519 -7.126 0.601 967 HE2 LYS 123 1HE LYS 123 -10.170 -6.729 -1.118 968 HE3 LYS 123 2HE LYS 123 -8.917 -6.217 -2.247 969 HZ1 LYS 123 3HZ LYS 123 -7.984 -8.449 -2.157 970 HZ2 LYS 123 1HZ LYS 123 -9.595 -8.489 -2.671 971 HZ3 LYS 123 2HZ LYS 123 -9.201 -8.937 -1.089 972 H PHE 124 H PHE 124 -7.624 -3.362 2.238 973 HA PHE 124 HA PHE 124 -4.836 -3.245 3.022 974 HB2 PHE 124 1HB PHE 124 -6.882 -1.405 4.281 975 HB3 PHE 124 2HB PHE 124 -5.222 -1.620 4.828 976 HD1 PHE 124 1HD PHE 124 -3.359 -0.743 3.519 977 HD2 PHE 124 2HD PHE 124 -7.399 -0.091 2.348 978 HE1 PHE 124 1HE PHE 124 -2.626 1.045 1.996 979 HE2 PHE 124 2HE PHE 124 -6.672 1.697 0.823 980 HZ PHE 124 HZ PHE 124 -4.283 2.267 0.645 981 H ARG 125 H ARG 125 -5.349 -5.505 3.330 982 HA ARG 125 HA ARG 125 -6.490 -5.980 5.983 983 HB2 ARG 125 1HB ARG 125 -7.876 -7.771 5.277 984 HB3 ARG 125 2HB ARG 125 -8.220 -6.431 4.191 985 HG2 ARG 125 1HG ARG 125 -7.900 -7.851 2.519 986 HG3 ARG 125 2HG ARG 125 -6.183 -7.814 2.926 987 HD2 ARG 125 1HD ARG 125 -6.356 -10.010 3.273 988 HD3 ARG 125 2HD ARG 125 -7.238 -9.600 4.744 989 HE ARG 125 HE ARG 125 -8.914 -9.708 2.422 990 HH11 ARG 125 1HH1 ARG 125 -7.407 -11.596 4.929 991 HH12 ARG 125 2HH1 ARG 125 -8.570 -12.877 4.844 992 HH21 ARG 125 1HH2 ARG 125 -10.452 -11.388 2.301 993 HH22 ARG 125 2HH2 ARG 125 -10.301 -12.758 3.348 994 H ASP 126 H ASP 126 -6.253 -8.658 6.179 995 HA ASP 126 HA ASP 126 -3.619 -9.464 5.248 996 HB2 ASP 126 1HB ASP 126 -2.600 -9.695 7.335 997 HB3 ASP 126 2HB ASP 126 -3.447 -8.158 7.483 998 H ARG 127 H ARG 127 -3.110 -11.738 6.071 999 HA ARG 127 HA ARG 127 -5.564 -13.325 5.840 1000 HB2 ARG 127 1HB ARG 127 -3.963 -15.201 5.323 1001 HB3 ARG 127 2HB ARG 127 -3.974 -13.883 4.159 1002 HG2 ARG 127 1HG ARG 127 -2.014 -13.343 6.163 1003 HG3 ARG 127 2HG ARG 127 -1.777 -14.975 5.533 1004 HD2 ARG 127 1HD ARG 127 -1.610 -14.168 3.296 1005 HD3 ARG 127 2HD ARG 127 -2.128 -12.553 3.779 1006 HE ARG 127 HE ARG 127 0.016 -12.099 4.458 1007 HH11 ARG 127 1HH1 ARG 127 -0.335 -15.524 3.940 1008 HH12 ARG 127 2HH1 ARG 127 1.359 -15.854 4.100 1009 HH21 ARG 127 1HH2 ARG 127 2.247 -12.521 4.672 1010 HH22 ARG 127 2HH2 ARG 127 2.826 -14.145 4.518 1011 H LEU 128 H LEU 128 -5.993 -12.803 8.146 1012 HA LEU 128 HA LEU 128 -5.359 -14.997 9.797 1013 HB2 LEU 128 1HB LEU 128 -3.220 -13.578 9.825 1014 HB3 LEU 128 2HB LEU 128 -4.150 -12.439 10.797 1015 HG LEU 128 HG LEU 128 -4.482 -14.924 12.041 1016 HD11 LEU 128 1HD1 LEU 128 -2.375 -15.883 12.295 1017 HD12 LEU 128 2HD1 LEU 128 -1.548 -14.480 11.620 1018 HD13 LEU 128 3HD1 LEU 128 -2.476 -15.547 10.566 1019 HD21 LEU 128 3HD2 LEU 128 -2.941 -12.423 12.612 1020 HD22 LEU 128 1HD2 LEU 128 -2.859 -13.798 13.713 1021 HD23 LEU 128 2HD2 LEU 128 -4.411 -13.031 13.375 1022 H LEU 129 H LEU 129 -5.980 -11.505 10.203 1023 HA LEU 129 HA LEU 129 -8.165 -12.141 12.036 1024 HB2 LEU 129 1HB LEU 129 -6.980 -9.468 11.305 1025 HB3 LEU 129 2HB LEU 129 -8.158 -9.772 12.581 1026 HG LEU 129 HG LEU 129 -5.358 -10.892 12.565 1027 HD11 LEU 129 1HD1 LEU 129 -5.213 -8.493 12.696 1028 HD12 LEU 129 2HD1 LEU 129 -4.898 -9.181 14.289 1029 HD13 LEU 129 3HD1 LEU 129 -6.463 -8.448 13.939 1030 HD21 LEU 129 3HD2 LEU 129 -7.661 -10.969 14.465 1031 HD22 LEU 129 1HD2 LEU 129 -6.011 -11.010 15.085 1032 HD23 LEU 129 2HD2 LEU 129 -6.566 -12.261 13.973 1033 H SER 130 H SER 130 -9.150 -13.013 9.883 1034 HA SER 130 HA SER 130 -11.356 -11.423 9.244 1035 HB2 SER 130 1HB SER 130 -8.981 -10.965 7.582 1036 HB3 SER 130 2HB SER 130 -10.427 -11.367 6.656 1037 HG SER 130 HG SER 130 -11.286 -9.513 7.188 1038 H LEU 131 H LEU 131 -12.867 -12.875 8.815 1039 HA LEU 131 HA LEU 131 -12.073 -15.425 7.591 1040 HB2 LEU 131 1HB LEU 131 -14.756 -15.042 8.802 1041 HB3 LEU 131 2HB LEU 131 -13.726 -16.472 8.768 1042 HG LEU 131 HG LEU 131 -13.241 -14.066 10.521 1043 HD11 LEU 131 1HD1 LEU 131 -14.684 -16.647 11.032 1044 HD12 LEU 131 2HD1 LEU 131 -15.229 -14.999 11.339 1045 HD13 LEU 131 3HD1 LEU 131 -13.956 -15.706 12.333 1046 HD21 LEU 131 3HD2 LEU 131 -12.111 -16.727 11.117 1047 HD22 LEU 131 1HD2 LEU 131 -11.413 -15.121 11.327 1048 HD23 LEU 131 2HD2 LEU 131 -11.424 -15.875 9.733 1049 H ASP 132 H ASP 132 -13.910 -12.572 7.076 1050 HA ASP 132 HA ASP 132 -14.673 -13.529 4.438 1051 HB2 ASP 132 1HB ASP 132 -16.541 -13.604 6.494 1052 HB3 ASP 132 2HB ASP 132 -16.902 -12.099 5.653 1053 H GLU 133 H GLU 133 -14.102 -12.022 3.029 1054 HA GLU 133 HA GLU 133 -13.618 -10.014 2.077 1055 HB2 GLU 133 1HB GLU 133 -15.873 -9.448 3.877 1056 HB3 GLU 133 2HB GLU 133 -14.896 -8.042 3.480 1057 HG2 GLU 133 1HG GLU 133 -15.177 -8.644 1.065 1058 HG3 GLU 133 2HG GLU 133 -16.341 -9.864 1.578 1059 HA PRO 134 HA PRO 134 -10.295 -8.179 4.273 1060 HB2 PRO 134 1HB PRO 134 -10.229 -5.662 3.259 1061 HB3 PRO 134 2HB PRO 134 -9.736 -7.084 2.332 1062 HG2 PRO 134 1HG PRO 134 -12.329 -5.591 2.273 1063 HG3 PRO 134 2HG PRO 134 -11.375 -6.230 0.922 1064 HD2 PRO 134 1HD PRO 134 -13.561 -7.501 1.892 1065 HD3 PRO 134 2HD PRO 134 -12.174 -8.373 1.207 1066 H ILE 135 H ILE 135 -9.665 -6.127 5.538 1067 HA ILE 135 HA ILE 135 -11.848 -5.557 7.394 1068 HB ILE 135 HB ILE 135 -9.662 -6.366 8.270 1069 HG12 ILE 135 1HG1 ILE 135 -10.191 -3.558 9.227 1070 HG13 ILE 135 2HG1 ILE 135 -11.324 -4.870 9.530 1071 HG21 ILE 135 1HG2 ILE 135 -8.631 -3.650 7.469 1072 HG22 ILE 135 2HG2 ILE 135 -7.736 -4.934 8.280 1073 HG23 ILE 135 3HG2 ILE 135 -8.267 -5.147 6.612 1074 HD11 ILE 135 3HD1 ILE 135 -8.616 -5.580 10.264 1075 HD12 ILE 135 1HD1 ILE 135 -9.187 -4.142 11.110 1076 HD13 ILE 135 2HD1 ILE 135 -10.102 -5.647 11.210 1077 H ALA 136 H ALA 136 -9.751 -3.981 5.093 1078 HA ALA 136 HA ALA 136 -11.307 -1.518 5.434 1079 HB1 ALA 136 1HB ALA 136 -8.471 -1.845 5.975 1080 HB2 ALA 136 2HB ALA 136 -8.796 -0.575 4.794 1081 HB3 ALA 136 3HB ALA 136 -9.557 -0.516 6.384 1082 H SER 137 H SER 137 -11.193 -0.079 3.567 1083 HA SER 137 HA SER 137 -9.970 -0.721 1.139 1084 HB2 SER 137 1HB SER 137 -12.068 -1.487 -0.100 1085 HB3 SER 137 2HB SER 137 -11.303 -2.678 0.951 1086 HG SER 137 HG SER 137 -13.463 -2.726 1.406 1087 H GLU 138 H GLU 138 -10.167 0.947 -0.264 1088 HA GLU 138 HA GLU 138 -12.439 2.746 -0.109 1089 HB2 GLU 138 1HB GLU 138 -10.934 3.625 1.615 1090 HB3 GLU 138 2HB GLU 138 -9.625 3.704 0.443 1091 HG2 GLU 138 1HG GLU 138 -10.719 5.419 -0.785 1092 HG3 GLU 138 2HG GLU 138 -12.200 5.226 0.151 1093 H GLU 139 H GLU 139 -12.967 3.418 -2.084 1094 HA GLU 139 HA GLU 139 -11.281 2.751 -4.318 1095 HB2 GLU 139 1HB GLU 139 -13.994 4.051 -4.105 1096 HB3 GLU 139 2HB GLU 139 -13.177 3.800 -5.641 1097 HG2 GLU 139 1HG GLU 139 -14.284 1.866 -5.675 1098 HG3 GLU 139 2HG GLU 139 -13.036 1.317 -4.558 1099 H ILE 140 H ILE 140 -9.874 4.035 -5.310 1100 HA ILE 140 HA ILE 140 -10.238 6.919 -5.303 1101 HB ILE 140 HB ILE 140 -7.753 5.633 -4.165 1102 HG12 ILE 140 1HG1 ILE 140 -9.769 7.509 -2.910 1103 HG13 ILE 140 2HG1 ILE 140 -9.660 5.780 -2.599 1104 HG21 ILE 140 1HG2 ILE 140 -7.030 7.462 -5.479 1105 HG22 ILE 140 2HG2 ILE 140 -8.356 8.481 -4.919 1106 HG23 ILE 140 3HG2 ILE 140 -7.058 8.035 -3.812 1107 HD11 ILE 140 3HD1 ILE 140 -7.349 6.158 -1.750 1108 HD12 ILE 140 1HD1 ILE 140 -7.640 7.891 -1.901 1109 HD13 ILE 140 2HD1 ILE 140 -8.619 6.925 -0.797 1110 H THR 141 H THR 141 -10.117 7.375 -7.396 1111 HA THR 141 HA THR 141 -8.556 5.786 -9.220 1112 HB THR 141 HB THR 141 -9.834 8.407 -9.946 1113 HG1 THR 141 1HG THR 141 -11.690 6.832 -10.432 1114 HG21 THR 141 3HG2 THR 141 -10.261 6.253 -11.777 1115 HG22 THR 141 1HG2 THR 141 -8.548 6.327 -11.363 1116 HG23 THR 141 2HG2 THR 141 -9.359 7.749 -12.020 1117 H ILE 142 H ILE 142 -7.731 8.163 -7.111 1118 HA ILE 142 HA ILE 142 -5.974 9.595 -6.889 1119 HB ILE 142 HB ILE 142 -4.684 7.938 -9.057 1120 HG12 ILE 142 1HG1 ILE 142 -5.662 6.614 -7.127 1121 HG13 ILE 142 2HG1 ILE 142 -3.931 6.420 -7.383 1122 HG21 ILE 142 1HG2 ILE 142 -3.680 9.861 -7.002 1123 HG22 ILE 142 2HG2 ILE 142 -2.642 8.556 -7.573 1124 HG23 ILE 142 3HG2 ILE 142 -3.278 9.739 -8.715 1125 HD11 ILE 142 3HD1 ILE 142 -5.209 8.194 -5.316 1126 HD12 ILE 142 1HD1 ILE 142 -4.485 6.614 -5.020 1127 HD13 ILE 142 2HD1 ILE 142 -3.478 7.959 -5.559 1128 H THR 143 H THR 143 -4.613 11.237 -7.997 1129 HA THR 143 HA THR 143 -4.642 13.156 -9.252 1130 HB THR 143 HB THR 143 -3.449 11.475 -10.701 1131 HG1 THR 143 1HG THR 143 -4.915 13.519 -12.048 1132 HG21 THR 143 3HG2 THR 143 -4.744 10.888 -12.821 1133 HG22 THR 143 1HG2 THR 143 -6.199 11.279 -11.905 1134 HG23 THR 143 2HG2 THR 143 -5.141 9.976 -11.365 Start of MODEL 14 1 H1 MET 1 H MET 1 -17.338 3.005 11.193 2 HA MET 1 HA MET 1 -18.469 2.714 13.447 3 HB2 MET 1 1HB MET 1 -19.705 4.847 13.199 4 HB3 MET 1 2HB MET 1 -20.661 4.123 11.913 5 HG2 MET 1 1HG MET 1 -21.708 2.623 13.402 6 HG3 MET 1 2HG MET 1 -20.559 2.986 14.688 7 HE1 MET 1 3HE MET 1 -22.488 5.978 12.499 8 HE2 MET 1 1HE MET 1 -23.098 4.335 12.297 9 HE3 MET 1 2HE MET 1 -24.040 5.519 13.202 10 H ASP 2 H ASP 2 -17.748 0.785 12.071 11 HA ASP 2 HA ASP 2 -20.137 -0.564 10.994 12 HB2 ASP 2 1HB ASP 2 -17.983 0.011 9.510 13 HB3 ASP 2 2HB ASP 2 -17.434 -1.514 10.200 14 H GLU 3 H GLU 3 -19.403 -0.536 13.745 15 HA GLU 3 HA GLU 3 -19.168 -1.941 15.518 16 HB2 GLU 3 1HB GLU 3 -20.863 -3.203 14.038 17 HB3 GLU 3 2HB GLU 3 -19.515 -4.255 13.629 18 HG2 GLU 3 1HG GLU 3 -20.420 -5.412 15.366 19 HG3 GLU 3 2HG GLU 3 -19.256 -4.412 16.232 20 H VAL 4 H VAL 4 -16.832 -1.117 15.060 21 HA VAL 4 HA VAL 4 -14.584 -1.504 15.053 22 HB VAL 4 HB VAL 4 -13.806 -3.266 16.392 23 HG11 VAL 4 1HG1 VAL 4 -16.645 -2.802 17.299 24 HG12 VAL 4 2HG1 VAL 4 -15.280 -3.287 18.307 25 HG13 VAL 4 3HG1 VAL 4 -15.304 -1.688 17.563 26 HG21 VAL 4 3HG2 VAL 4 -16.304 -4.870 16.283 27 HG22 VAL 4 1HG2 VAL 4 -15.215 -4.939 14.897 28 HG23 VAL 4 2HG2 VAL 4 -14.633 -5.391 16.500 29 H LEU 5 H LEU 5 -12.931 -3.525 14.524 30 HA LEU 5 HA LEU 5 -13.777 -4.664 11.951 31 HB2 LEU 5 1HB LEU 5 -11.447 -2.904 12.526 32 HB3 LEU 5 2HB LEU 5 -11.258 -4.188 11.333 33 HG LEU 5 HG LEU 5 -13.289 -1.958 11.210 34 HD11 LEU 5 1HD1 LEU 5 -11.522 -1.910 9.026 35 HD12 LEU 5 2HD1 LEU 5 -10.527 -2.065 10.473 36 HD13 LEU 5 3HD1 LEU 5 -11.670 -0.730 10.328 37 HD21 LEU 5 3HD2 LEU 5 -13.581 -2.816 8.869 38 HD22 LEU 5 1HD2 LEU 5 -14.196 -3.876 10.137 39 HD23 LEU 5 2HD2 LEU 5 -12.661 -4.242 9.351 40 H ALA 6 H ALA 6 -13.414 -6.775 11.845 41 HA ALA 6 HA ALA 6 -12.516 -8.843 12.185 42 HB1 ALA 6 1HB ALA 6 -10.288 -7.057 12.470 43 HB2 ALA 6 2HB ALA 6 -10.127 -8.412 13.588 44 HB3 ALA 6 3HB ALA 6 -10.324 -8.713 11.861 45 H THR 7 H THR 7 -11.096 -7.230 15.009 46 HA THR 7 HA THR 7 -13.087 -8.342 16.789 47 HB THR 7 HB THR 7 -11.211 -9.424 18.198 48 HG1 THR 7 1HG THR 7 -9.995 -9.401 15.617 49 HG21 THR 7 3HG2 THR 7 -11.756 -10.915 15.657 50 HG22 THR 7 1HG2 THR 7 -13.073 -10.531 16.764 51 HG23 THR 7 2HG2 THR 7 -11.716 -11.514 17.315 52 H SER 8 H SER 8 -12.424 -5.701 16.250 53 HA SER 8 HA SER 8 -11.963 -3.730 17.288 54 HB2 SER 8 1HB SER 8 -12.581 -3.600 19.478 55 HB3 SER 8 2HB SER 8 -13.121 -5.255 19.194 56 HG SER 8 HG SER 8 -11.805 -5.060 21.069 57 H ILE 9 H ILE 9 -9.791 -5.699 16.467 58 HA ILE 9 HA ILE 9 -7.592 -4.799 18.176 59 HB ILE 9 HB ILE 9 -7.483 -6.758 15.882 60 HG12 ILE 9 1HG1 ILE 9 -8.972 -7.619 17.601 61 HG13 ILE 9 2HG1 ILE 9 -7.451 -8.504 17.643 62 HG21 ILE 9 1HG2 ILE 9 -5.494 -7.168 17.875 63 HG22 ILE 9 2HG2 ILE 9 -5.286 -6.734 16.179 64 HG23 ILE 9 3HG2 ILE 9 -5.470 -5.471 17.396 65 HD11 ILE 9 3HD1 ILE 9 -7.328 -8.072 19.804 66 HD12 ILE 9 1HD1 ILE 9 -7.151 -6.361 19.420 67 HD13 ILE 9 2HD1 ILE 9 -8.752 -7.037 19.719 68 H GLY 10 H GLY 10 -7.889 -5.305 14.656 69 HA2 GLY 10 1HA GLY 10 -6.223 -2.920 14.256 70 HA3 GLY 10 2HA GLY 10 -6.512 -4.184 13.069 71 H THR 11 H THR 11 -7.093 -1.060 13.661 72 HA THR 11 HA THR 11 -9.668 -1.111 12.226 73 HB THR 11 HB THR 11 -9.814 1.306 13.341 74 HG1 THR 11 1HG THR 11 -8.937 1.270 15.421 75 HG21 THR 11 3HG2 THR 11 -11.571 0.428 14.429 76 HG22 THR 11 1HG2 THR 11 -10.567 -0.724 15.309 77 HG23 THR 11 2HG2 THR 11 -11.103 -1.093 13.670 78 H TYR 12 H TYR 12 -9.910 0.246 10.496 79 HA TYR 12 HA TYR 12 -7.524 1.788 9.712 80 HB2 TYR 12 1HB TYR 12 -7.750 -0.038 8.195 81 HB3 TYR 12 2HB TYR 12 -9.482 0.227 8.026 82 HD1 TYR 12 1HD TYR 12 -6.435 2.377 7.682 83 HD2 TYR 12 2HD TYR 12 -10.053 0.982 5.931 84 HE1 TYR 12 1HE TYR 12 -6.019 3.790 5.712 85 HE2 TYR 12 2HE TYR 12 -9.647 2.391 3.956 86 HH TYR 12 HH TYR 12 -7.677 3.439 2.815 87 H GLU 13 H GLU 13 -8.085 3.801 10.403 88 HA GLU 13 HA GLU 13 -9.846 5.330 8.824 89 HB2 GLU 13 1HB GLU 13 -11.602 5.849 10.381 90 HB3 GLU 13 2HB GLU 13 -11.533 4.103 10.189 91 HG2 GLU 13 1HG GLU 13 -10.451 3.840 12.297 92 HG3 GLU 13 2HG GLU 13 -10.240 5.582 12.465 93 H ASN 14 H ASN 14 -10.285 7.549 10.029 94 HA ASN 14 HA ASN 14 -9.356 9.465 10.829 95 HB2 ASN 14 1HB ASN 14 -7.752 7.713 12.692 96 HB3 ASN 14 2HB ASN 14 -8.260 9.380 12.948 97 HD21 ASN 14 1HD2 ASN 14 -8.708 6.922 14.522 98 HD22 ASN 14 2HD2 ASN 14 -10.420 6.813 14.720 99 H ARG 15 H ARG 15 -8.028 7.928 8.669 100 HA ARG 15 HA ARG 15 -6.187 8.119 7.347 101 HB2 ARG 15 1HB ARG 15 -6.559 10.581 8.097 102 HB3 ARG 15 2HB ARG 15 -5.151 10.312 9.116 103 HG2 ARG 15 1HG ARG 15 -4.373 11.316 7.127 104 HG3 ARG 15 2HG ARG 15 -3.914 9.614 7.044 105 HD2 ARG 15 1HD ARG 15 -4.761 10.203 4.907 106 HD3 ARG 15 2HD ARG 15 -5.999 9.227 5.696 107 HE ARG 15 HE ARG 15 -6.506 11.941 6.206 108 HH11 ARG 15 1HH1 ARG 15 -6.559 9.647 3.588 109 HH12 ARG 15 2HH1 ARG 15 -7.810 10.472 2.717 110 HH21 ARG 15 1HH2 ARG 15 -8.153 13.037 5.069 111 HH22 ARG 15 2HH2 ARG 15 -8.714 12.401 3.560 112 H THR 16 H THR 16 -6.111 6.227 9.399 113 HA THR 16 HA THR 16 -3.280 5.787 9.582 114 HB THR 16 HB THR 16 -4.844 6.220 12.133 115 HG1 THR 16 1HG THR 16 -4.060 8.166 11.829 116 HG21 THR 16 3HG2 THR 16 -2.285 5.874 12.922 117 HG22 THR 16 1HG2 THR 16 -2.343 4.765 11.552 118 HG23 THR 16 2HG2 THR 16 -3.480 4.578 12.887 119 H LEU 17 H LEU 17 -2.766 3.645 9.938 120 HA LEU 17 HA LEU 17 -5.057 1.813 10.224 121 HB2 LEU 17 1HB LEU 17 -3.301 2.049 8.093 122 HB3 LEU 17 2HB LEU 17 -2.704 0.652 8.986 123 HG LEU 17 HG LEU 17 -5.607 0.712 8.417 124 HD11 LEU 17 1HD1 LEU 17 -4.302 1.538 6.336 125 HD12 LEU 17 2HD1 LEU 17 -5.484 0.243 6.157 126 HD13 LEU 17 3HD1 LEU 17 -3.764 -0.138 6.222 127 HD21 LEU 17 3HD2 LEU 17 -3.422 -1.360 8.405 128 HD22 LEU 17 1HD2 LEU 17 -5.084 -1.694 7.919 129 HD23 LEU 17 2HD2 LEU 17 -4.736 -1.175 9.568 130 H LEU 18 H LEU 18 -4.960 1.312 12.357 131 HA LEU 18 HA LEU 18 -2.412 0.626 13.581 132 HB2 LEU 18 1HB LEU 18 -4.610 1.874 14.548 133 HB3 LEU 18 2HB LEU 18 -4.904 0.226 15.096 134 HG LEU 18 HG LEU 18 -2.536 1.968 15.769 135 HD11 LEU 18 1HD1 LEU 18 -3.403 1.658 18.080 136 HD12 LEU 18 2HD1 LEU 18 -4.834 0.892 17.391 137 HD13 LEU 18 3HD1 LEU 18 -4.476 2.580 17.027 138 HD21 LEU 18 3HD2 LEU 18 -1.509 -0.070 15.754 139 HD22 LEU 18 1HD2 LEU 18 -3.005 -0.953 16.058 140 HD23 LEU 18 2HD2 LEU 18 -2.199 -0.103 17.377 141 H VAL 19 H VAL 19 -1.751 -1.387 14.094 142 HA VAL 19 HA VAL 19 -3.600 -3.620 14.063 143 HB VAL 19 HB VAL 19 -2.069 -4.907 12.482 144 HG11 VAL 19 1HG1 VAL 19 -3.305 -4.243 10.559 145 HG12 VAL 19 2HG1 VAL 19 -4.364 -4.033 11.955 146 HG13 VAL 19 3HG1 VAL 19 -3.586 -2.632 11.219 147 HG21 VAL 19 3HG2 VAL 19 -0.587 -2.555 12.590 148 HG22 VAL 19 1HG2 VAL 19 -0.341 -3.913 11.492 149 HG23 VAL 19 2HG2 VAL 19 -1.331 -2.542 10.991 150 HA PRO 20 HA PRO 20 -0.859 -5.223 17.095 151 HB2 PRO 20 1HB PRO 20 -1.179 -7.896 16.744 152 HB3 PRO 20 2HB PRO 20 -2.421 -6.867 17.468 153 HG2 PRO 20 1HG PRO 20 -2.207 -7.889 14.662 154 HG3 PRO 20 2HG PRO 20 -3.633 -7.790 15.712 155 HD2 PRO 20 1HD PRO 20 -3.128 -5.977 13.766 156 HD3 PRO 20 2HD PRO 20 -3.952 -5.549 15.279 157 H ASP 21 H ASP 21 -0.459 -6.167 13.767 158 HA ASP 21 HA ASP 21 2.077 -7.471 14.180 159 HB2 ASP 21 1HB ASP 21 0.354 -6.831 11.833 160 HB3 ASP 21 2HB ASP 21 2.067 -7.116 11.541 161 H GLY 22 H GLY 22 0.973 -4.363 12.866 162 HA2 GLY 22 1HA GLY 22 3.597 -3.235 13.495 163 HA3 GLY 22 2HA GLY 22 3.059 -3.135 11.824 164 H ARG 23 H ARG 23 2.530 -1.082 11.455 165 HA ARG 23 HA ARG 23 0.262 0.092 12.635 166 HB2 ARG 23 1HB ARG 23 2.215 0.313 14.405 167 HB3 ARG 23 2HB ARG 23 2.686 1.666 13.385 168 HG2 ARG 23 1HG ARG 23 -0.077 1.928 13.815 169 HG3 ARG 23 2HG ARG 23 0.641 1.526 15.376 170 HD2 ARG 23 1HD ARG 23 1.107 3.709 15.524 171 HD3 ARG 23 2HD ARG 23 2.403 3.367 14.378 172 HE ARG 23 HE ARG 23 0.216 3.839 12.815 173 HH11 ARG 23 1HH1 ARG 23 1.881 5.598 15.316 174 HH12 ARG 23 2HH1 ARG 23 1.479 7.155 14.670 175 HH21 ARG 23 1HH2 ARG 23 -0.321 5.883 11.955 176 HH22 ARG 23 2HH2 ARG 23 0.225 7.315 12.759 177 H LEU 24 H LEU 24 -0.144 0.304 10.392 178 HA LEU 24 HA LEU 24 1.570 2.054 8.831 179 HB2 LEU 24 1HB LEU 24 0.231 -0.091 8.083 180 HB3 LEU 24 2HB LEU 24 -1.067 1.078 7.849 181 HG LEU 24 HG LEU 24 1.205 2.146 6.573 182 HD11 LEU 24 1HD1 LEU 24 1.992 0.470 5.130 183 HD12 LEU 24 2HD1 LEU 24 0.732 -0.662 5.619 184 HD13 LEU 24 3HD1 LEU 24 2.030 -0.252 6.739 185 HD21 LEU 24 3HD2 LEU 24 -1.424 1.974 6.096 186 HD22 LEU 24 1HD2 LEU 24 -0.846 0.739 4.977 187 HD23 LEU 24 2HD2 LEU 24 -0.244 2.392 4.853 188 H ALA 25 H ALA 25 0.325 3.701 7.406 189 HA ALA 25 HA ALA 25 -2.026 4.924 8.298 190 HB1 ALA 25 1HB ALA 25 0.373 5.647 9.798 191 HB2 ALA 25 2HB ALA 25 -0.495 7.032 9.135 192 HB3 ALA 25 3HB ALA 25 -1.330 5.892 10.190 193 H LEU 26 H LEU 26 -2.617 6.683 7.020 194 HA LEU 26 HA LEU 26 -1.166 6.920 4.549 195 HB2 LEU 26 1HB LEU 26 -3.631 8.359 5.518 196 HB3 LEU 26 2HB LEU 26 -3.003 8.397 3.872 197 HG LEU 26 HG LEU 26 -4.764 6.892 3.745 198 HD11 LEU 26 1HD1 LEU 26 -3.794 4.867 3.139 199 HD12 LEU 26 2HD1 LEU 26 -2.565 4.966 4.400 200 HD13 LEU 26 3HD1 LEU 26 -2.468 6.020 2.990 201 HD21 LEU 26 3HD2 LEU 26 -4.064 5.096 5.945 202 HD22 LEU 26 1HD2 LEU 26 -5.632 5.743 5.459 203 HD23 LEU 26 2HD2 LEU 26 -4.551 6.711 6.462 204 H THR 27 H THR 27 0.679 8.063 4.658 205 HA THR 27 HA THR 27 0.980 10.386 6.306 206 HB THR 27 HB THR 27 3.132 10.615 4.807 207 HG1 THR 27 1HG THR 27 3.637 8.292 4.188 208 HG21 THR 27 3HG2 THR 27 3.778 8.298 6.219 209 HG22 THR 27 1HG2 THR 27 2.453 9.026 7.126 210 HG23 THR 27 2HG2 THR 27 3.911 9.960 6.794 211 H ALA 28 H ALA 28 1.124 9.944 2.764 212 HA ALA 28 HA ALA 28 -0.587 12.043 2.111 213 HB1 ALA 28 1HB ALA 28 0.592 13.928 2.174 214 HB2 ALA 28 2HB ALA 28 1.797 13.044 3.110 215 HB3 ALA 28 3HB ALA 28 1.966 13.180 1.360 216 H LEU 29 H LEU 29 -1.245 10.715 0.470 217 HA LEU 29 HA LEU 29 0.412 9.309 -1.293 218 HB2 LEU 29 1HB LEU 29 -2.353 10.389 -1.819 219 HB3 LEU 29 2HB LEU 29 -1.551 9.101 -2.717 220 HG LEU 29 HG LEU 29 -2.250 8.901 0.208 221 HD11 LEU 29 1HD1 LEU 29 -4.061 7.340 -0.732 222 HD12 LEU 29 2HD1 LEU 29 -3.837 8.222 -2.242 223 HD13 LEU 29 3HD1 LEU 29 -4.346 9.079 -0.788 224 HD21 LEU 29 3HD2 LEU 29 -0.546 7.396 -1.350 225 HD22 LEU 29 1HD2 LEU 29 -2.051 6.477 -1.387 226 HD23 LEU 29 2HD2 LEU 29 -1.304 6.881 0.158 227 H HIS 30 H HIS 30 1.476 9.839 -3.110 228 HA HIS 30 HA HIS 30 1.023 12.507 -4.264 229 HB2 HIS 30 1HB HIS 30 3.716 11.220 -3.765 230 HB3 HIS 30 2HB HIS 30 3.453 12.748 -4.601 231 HD1 HIS 30 1HD HIS 30 1.653 14.274 -2.798 232 HD2 HIS 30 2HD HIS 30 4.696 11.853 -1.335 233 HE1 HIS 30 1HE HIS 30 2.154 15.143 -0.492 234 H LYS 31 H LYS 31 1.305 12.689 -6.485 235 HA LYS 31 HA LYS 31 1.401 10.122 -7.915 236 HB2 LYS 31 1HB LYS 31 -0.087 12.647 -8.307 237 HB3 LYS 31 2HB LYS 31 0.503 11.876 -9.774 238 HG2 LYS 31 1HG LYS 31 -0.588 9.744 -8.857 239 HG3 LYS 31 2HG LYS 31 -1.440 10.825 -7.752 240 HD2 LYS 31 1HD LYS 31 -2.876 10.540 -9.603 241 HD3 LYS 31 2HD LYS 31 -2.148 12.135 -9.806 242 HE2 LYS 31 1HE LYS 31 -0.515 11.173 -11.367 243 HE3 LYS 31 2HE LYS 31 -1.271 9.592 -11.175 244 HZ1 LYS 31 3HZ LYS 31 -2.006 10.766 -13.185 245 HZ2 LYS 31 1HZ LYS 31 -2.646 12.005 -12.227 246 HZ3 LYS 31 2HZ LYS 31 -3.289 10.444 -12.130 247 H GLY 32 H GLY 32 2.917 9.723 -9.436 248 HA2 GLY 32 1HA GLY 32 4.771 11.930 -10.093 249 HA3 GLY 32 2HA GLY 32 5.333 10.301 -9.746 250 H LYS 33 H LYS 33 6.384 10.485 -11.849 251 HA LYS 33 HA LYS 33 4.516 9.839 -14.035 252 HB2 LYS 33 1HB LYS 33 6.751 11.769 -13.928 253 HB3 LYS 33 2HB LYS 33 6.685 10.769 -15.374 254 HG2 LYS 33 1HG LYS 33 4.246 11.482 -15.555 255 HG3 LYS 33 2HG LYS 33 4.642 12.712 -14.352 256 HD2 LYS 33 1HD LYS 33 6.579 12.610 -16.518 257 HD3 LYS 33 2HD LYS 33 4.942 12.940 -17.092 258 HE2 LYS 33 1HE LYS 33 4.812 14.937 -15.986 259 HE3 LYS 33 2HE LYS 33 5.914 14.425 -14.708 260 HZ1 LYS 33 3HZ LYS 33 7.312 14.484 -17.141 261 HZ2 LYS 33 1HZ LYS 33 7.561 15.431 -15.761 262 HZ3 LYS 33 2HZ LYS 33 6.496 15.955 -16.965 263 H ASP 34 H ASP 34 5.340 8.392 -15.664 264 HA ASP 34 HA ASP 34 7.618 6.755 -14.774 265 HB2 ASP 34 1HB ASP 34 6.467 4.739 -15.157 266 HB3 ASP 34 2HB ASP 34 5.300 5.750 -14.309 267 H TYR 35 H TYR 35 7.407 4.902 -16.922 268 HA TYR 35 HA TYR 35 8.976 6.112 -18.859 269 HB2 TYR 35 1HB TYR 35 8.245 4.120 -20.306 270 HB3 TYR 35 2HB TYR 35 9.043 3.763 -18.778 271 HD1 TYR 35 1HD TYR 35 5.747 3.903 -20.460 272 HD2 TYR 35 2HD TYR 35 7.948 2.513 -17.095 273 HE1 TYR 35 1HE TYR 35 3.839 2.497 -19.801 274 HE2 TYR 35 2HE TYR 35 6.047 1.101 -16.427 275 HH TYR 35 HH TYR 35 4.085 0.070 -17.410 276 H GLN 36 H GLN 36 5.486 5.821 -18.658 277 HA GLN 36 HA GLN 36 5.190 7.121 -21.267 278 HB2 GLN 36 1HB GLN 36 3.369 5.533 -19.505 279 HB3 GLN 36 2HB GLN 36 2.671 6.668 -20.652 280 HG2 GLN 36 1HG GLN 36 4.566 5.221 -22.103 281 HG3 GLN 36 2HG GLN 36 3.736 4.038 -21.094 282 HE21 GLN 36 1HE2 GLN 36 1.359 4.091 -21.159 283 HE22 GLN 36 2HE2 GLN 36 0.589 4.467 -22.659 284 H GLY 37 H GLY 37 6.050 8.392 -18.647 285 HA2 GLY 37 1HA GLY 37 5.461 10.200 -17.300 286 HA3 GLY 37 2HA GLY 37 5.252 10.923 -18.888 287 H LYS 38 H LYS 38 3.329 8.500 -17.134 288 HA LYS 38 HA LYS 38 1.187 10.338 -16.634 289 HB2 LYS 38 1HB LYS 38 1.186 8.724 -19.072 290 HB3 LYS 38 2HB LYS 38 -0.246 8.474 -18.084 291 HG2 LYS 38 1HG LYS 38 -0.964 10.646 -18.330 292 HG3 LYS 38 2HG LYS 38 0.655 11.252 -18.686 293 HD2 LYS 38 1HD LYS 38 -0.928 9.455 -20.519 294 HD3 LYS 38 2HD LYS 38 -0.873 11.214 -20.656 295 HE2 LYS 38 1HE LYS 38 1.696 10.879 -20.711 296 HE3 LYS 38 2HE LYS 38 1.303 9.208 -21.114 297 HZ1 LYS 38 3HZ LYS 38 0.369 9.817 -23.112 298 HZ2 LYS 38 1HZ LYS 38 1.648 10.918 -22.995 299 HZ3 LYS 38 2HZ LYS 38 0.072 11.411 -22.629 300 HA PRO 39 HA PRO 39 -0.195 6.011 -15.076 301 HB2 PRO 39 1HB PRO 39 1.161 3.830 -15.955 302 HB3 PRO 39 2HB PRO 39 -0.227 4.508 -16.813 303 HG2 PRO 39 1HG PRO 39 2.696 4.869 -17.352 304 HG3 PRO 39 2HG PRO 39 1.373 4.589 -18.499 305 HD2 PRO 39 1HD PRO 39 2.422 7.046 -18.056 306 HD3 PRO 39 2HD PRO 39 0.713 6.798 -18.471 307 H MET 40 H MET 40 0.825 6.956 -13.220 308 HA MET 40 HA MET 40 2.749 5.242 -12.005 309 HB2 MET 40 1HB MET 40 3.981 7.031 -13.563 310 HB3 MET 40 2HB MET 40 3.779 8.029 -12.129 311 HG2 MET 40 1HG MET 40 4.973 5.292 -11.946 312 HG3 MET 40 2HG MET 40 5.947 6.685 -12.411 313 HE1 MET 40 3HE MET 40 6.178 4.687 -9.507 314 HE2 MET 40 1HE MET 40 5.026 5.283 -8.311 315 HE3 MET 40 2HE MET 40 4.445 4.590 -9.825 316 H PHE 41 H PHE 41 2.685 5.391 -9.807 317 HA PHE 41 HA PHE 41 1.654 7.737 -8.486 318 HB2 PHE 41 1HB PHE 41 -0.474 6.853 -9.000 319 HB3 PHE 41 2HB PHE 41 0.041 5.201 -8.675 320 HD1 PHE 41 1HD PHE 41 -0.128 8.460 -6.858 321 HD2 PHE 41 2HD PHE 41 -0.765 4.252 -6.758 322 HE1 PHE 41 1HE PHE 41 -0.990 8.648 -4.561 323 HE2 PHE 41 2HE PHE 41 -1.629 4.435 -4.461 324 HZ PHE 41 HZ PHE 41 -1.743 6.635 -3.360 325 H TYR 42 H TYR 42 2.078 7.763 -6.276 326 HA TYR 42 HA TYR 42 3.720 5.518 -5.303 327 HB2 TYR 42 1HB TYR 42 3.963 8.480 -4.768 328 HB3 TYR 42 2HB TYR 42 4.825 7.259 -3.838 329 HD1 TYR 42 2HD TYR 42 5.879 5.394 -5.667 330 HD2 TYR 42 1HD TYR 42 5.361 9.580 -6.227 331 HE1 TYR 42 2HE TYR 42 7.681 5.387 -7.340 332 HE2 TYR 42 1HE TYR 42 7.162 9.584 -7.903 333 HH TYR 42 HH TYR 42 8.293 8.052 -9.394 334 H VAL 43 H VAL 43 3.204 4.596 -3.403 335 HA VAL 43 HA VAL 43 0.822 5.606 -2.026 336 HB VAL 43 HB VAL 43 2.162 2.934 -1.621 337 HG11 VAL 43 1HG1 VAL 43 0.452 2.396 -0.253 338 HG12 VAL 43 2HG1 VAL 43 0.325 4.146 -0.061 339 HG13 VAL 43 3HG1 VAL 43 -0.729 3.304 -1.197 340 HG21 VAL 43 3HG2 VAL 43 1.489 3.208 -3.972 341 HG22 VAL 43 1HG2 VAL 43 0.525 1.987 -3.142 342 HG23 VAL 43 2HG2 VAL 43 -0.150 3.588 -3.446 343 H LEU 44 H LEU 44 1.940 7.295 -0.908 344 HA LEU 44 HA LEU 44 4.120 6.760 0.842 345 HB2 LEU 44 1HB LEU 44 2.190 9.057 0.624 346 HB3 LEU 44 2HB LEU 44 3.500 9.016 1.803 347 HG LEU 44 HG LEU 44 4.217 10.361 -0.021 348 HD11 LEU 44 1HD1 LEU 44 5.546 7.755 -0.635 349 HD12 LEU 44 2HD1 LEU 44 5.744 8.506 0.948 350 HD13 LEU 44 3HD1 LEU 44 6.246 9.369 -0.505 351 HD21 LEU 44 3HD2 LEU 44 3.967 8.196 -2.034 352 HD22 LEU 44 1HD2 LEU 44 3.878 9.947 -2.232 353 HD23 LEU 44 2HD2 LEU 44 2.500 9.063 -1.575 354 H PHE 45 H PHE 45 3.792 5.274 2.400 355 HA PHE 45 HA PHE 45 1.579 5.771 4.277 356 HB2 PHE 45 1HB PHE 45 1.563 3.277 4.675 357 HB3 PHE 45 2HB PHE 45 0.976 3.786 3.095 358 HD1 PHE 45 1HD PHE 45 4.152 2.741 4.748 359 HD2 PHE 45 2HD PHE 45 1.734 2.658 1.246 360 HE1 PHE 45 1HE PHE 45 5.773 1.238 3.668 361 HE2 PHE 45 2HE PHE 45 3.350 1.154 0.161 362 HZ PHE 45 HZ PHE 45 5.373 0.441 1.372 363 H GLU 46 H GLU 46 1.985 5.262 6.477 364 HA GLU 46 HA GLU 46 4.834 5.395 7.160 365 HB2 GLU 46 1HB GLU 46 2.988 7.059 7.994 366 HB3 GLU 46 2HB GLU 46 2.632 5.784 9.151 367 HG2 GLU 46 1HG GLU 46 4.645 6.015 10.235 368 HG3 GLU 46 2HG GLU 46 5.440 6.727 8.833 369 H LEU 47 H LEU 47 4.901 3.038 6.617 370 HA LEU 47 HA LEU 47 3.623 1.216 8.445 371 HB2 LEU 47 1HB LEU 47 3.991 0.529 6.164 372 HB3 LEU 47 2HB LEU 47 5.724 0.807 6.324 373 HG LEU 47 HG LEU 47 4.793 -1.614 6.391 374 HD11 LEU 47 1HD1 LEU 47 6.605 -1.056 8.680 375 HD12 LEU 47 2HD1 LEU 47 7.122 -0.582 7.062 376 HD13 LEU 47 3HD1 LEU 47 6.731 -2.267 7.404 377 HD21 LEU 47 3HD2 LEU 47 3.195 -0.762 8.316 378 HD22 LEU 47 1HD2 LEU 47 4.587 -1.166 9.322 379 HD23 LEU 47 2HD2 LEU 47 3.842 -2.404 8.310 380 H THR 48 H THR 48 4.310 1.058 10.472 381 HA THR 48 HA THR 48 7.158 1.423 11.062 382 HB THR 48 HB THR 48 4.933 1.185 13.084 383 HG1 THR 48 1HG THR 48 4.363 3.152 12.579 384 HG21 THR 48 3HG2 THR 48 7.783 2.132 13.143 385 HG22 THR 48 1HG2 THR 48 6.997 0.929 14.165 386 HG23 THR 48 2HG2 THR 48 6.620 2.640 14.368 387 H ASN 49 H ASN 49 8.428 -0.203 11.731 388 HA ASN 49 HA ASN 49 7.311 -2.881 11.777 389 HB2 ASN 49 1HB ASN 49 9.519 -2.135 10.633 390 HB3 ASN 49 2HB ASN 49 10.205 -2.224 12.253 391 HD21 ASN 49 1HD2 ASN 49 11.382 -3.998 12.338 392 HD22 ASN 49 2HD2 ASN 49 10.881 -5.571 11.827 393 H THR 50 H THR 50 6.095 -2.309 13.792 394 HA THR 50 HA THR 50 7.310 -1.797 16.248 395 HB THR 50 HB THR 50 4.831 -1.746 15.757 396 HG1 THR 50 1HG THR 50 5.565 -3.251 18.063 397 HG21 THR 50 3HG2 THR 50 5.148 -4.333 14.994 398 HG22 THR 50 1HG2 THR 50 3.606 -3.619 15.463 399 HG23 THR 50 2HG2 THR 50 4.545 -4.539 16.638 400 H THR 51 H THR 51 7.294 -4.652 14.350 401 HA THR 51 HA THR 51 7.581 -6.625 16.321 402 HB THR 51 HB THR 51 8.411 -8.067 14.623 403 HG1 THR 51 1HG THR 51 9.297 -5.666 13.467 404 HG21 THR 51 3HG2 THR 51 6.056 -7.269 14.362 405 HG22 THR 51 1HG2 THR 51 6.804 -7.804 12.858 406 HG23 THR 51 2HG2 THR 51 6.641 -6.081 13.198 407 H GLU 52 H GLU 52 9.937 -7.955 15.815 408 HA GLU 52 HA GLU 52 12.040 -6.071 16.635 409 HB2 GLU 52 1HB GLU 52 11.449 -8.746 17.914 410 HB3 GLU 52 2HB GLU 52 12.848 -7.744 18.273 411 HG2 GLU 52 1HG GLU 52 10.906 -5.959 18.724 412 HG3 GLU 52 2HG GLU 52 10.034 -7.444 19.103 413 H LYS 53 H LYS 53 11.496 -7.270 14.060 414 HA LYS 53 HA LYS 53 13.901 -8.951 13.773 415 HB2 LYS 53 1HB LYS 53 11.473 -8.970 11.975 416 HB3 LYS 53 2HB LYS 53 12.855 -10.054 11.893 417 HG2 LYS 53 1HG LYS 53 12.087 -10.548 14.400 418 HG3 LYS 53 2HG LYS 53 10.531 -10.071 13.717 419 HD2 LYS 53 1HD LYS 53 11.180 -11.714 11.801 420 HD3 LYS 53 2HD LYS 53 12.293 -12.379 12.998 421 HE2 LYS 53 1HE LYS 53 10.590 -13.108 14.370 422 HE3 LYS 53 2HE LYS 53 9.441 -11.926 13.748 423 HZ1 LYS 53 3HZ LYS 53 9.247 -14.415 13.082 424 HZ2 LYS 53 1HZ LYS 53 10.446 -14.024 11.955 425 HZ3 LYS 53 2HZ LYS 53 8.963 -13.210 11.929 426 H THR 54 H THR 54 15.120 -8.687 11.811 427 HA THR 54 HA THR 54 14.906 -5.957 10.732 428 HB THR 54 HB THR 54 17.373 -7.666 10.527 429 HG1 THR 54 1HG THR 54 17.336 -7.564 12.668 430 HG21 THR 54 3HG2 THR 54 16.750 -4.732 10.350 431 HG22 THR 54 1HG2 THR 54 17.538 -5.766 9.159 432 HG23 THR 54 2HG2 THR 54 18.390 -5.312 10.635 433 H GLN 55 H GLN 55 13.605 -8.572 9.839 434 HA GLN 55 HA GLN 55 14.742 -9.371 7.394 435 HB2 GLN 55 1HB GLN 55 12.662 -10.478 6.954 436 HB3 GLN 55 2HB GLN 55 12.999 -10.630 8.674 437 HG2 GLN 55 1HG GLN 55 11.514 -8.353 8.608 438 HG3 GLN 55 2HG GLN 55 10.800 -9.287 7.295 439 HE21 GLN 55 1HE2 GLN 55 10.096 -8.527 10.211 440 HE22 GLN 55 2HE2 GLN 55 9.499 -10.011 10.861 441 H ASN 56 H ASN 56 13.142 -9.176 5.345 442 HA ASN 56 HA ASN 56 13.542 -6.678 4.253 443 HB2 ASN 56 1HB ASN 56 12.828 -8.920 3.141 444 HB3 ASN 56 2HB ASN 56 11.186 -8.342 3.412 445 HD21 ASN 56 1HD2 ASN 56 14.286 -7.148 2.161 446 HD22 ASN 56 2HD2 ASN 56 13.610 -6.306 0.812 447 H ILE 57 H ILE 57 11.693 -5.258 3.364 448 HA ILE 57 HA ILE 57 10.105 -4.411 5.664 449 HB ILE 57 HB ILE 57 10.351 -2.951 3.043 450 HG12 ILE 57 1HG1 ILE 57 12.153 -2.757 5.466 451 HG13 ILE 57 2HG1 ILE 57 12.611 -3.363 3.878 452 HG21 ILE 57 1HG2 ILE 57 8.916 -2.501 5.442 453 HG22 ILE 57 2HG2 ILE 57 10.179 -1.276 5.334 454 HG23 ILE 57 3HG2 ILE 57 9.021 -1.468 4.017 455 HD11 ILE 57 3HD1 ILE 57 13.446 -1.227 3.839 456 HD12 ILE 57 1HD1 ILE 57 11.875 -1.008 3.068 457 HD13 ILE 57 2HD1 ILE 57 12.096 -0.566 4.761 458 H GLN 58 H GLN 58 9.616 -4.879 2.161 459 HA GLN 58 HA GLN 58 6.841 -4.649 2.158 460 HB2 GLN 58 1HB GLN 58 8.893 -5.675 0.336 461 HB3 GLN 58 2HB GLN 58 7.334 -6.468 0.152 462 HG2 GLN 58 1HG GLN 58 7.944 -4.306 -1.205 463 HG3 GLN 58 2HG GLN 58 6.308 -4.590 -0.614 464 HE21 GLN 58 1HE2 GLN 58 5.392 -3.023 0.503 465 HE22 GLN 58 2HE2 GLN 58 6.212 -1.705 1.262 466 H LEU 59 H LEU 59 8.819 -7.143 3.387 467 HA LEU 59 HA LEU 59 7.339 -9.441 3.069 468 HB2 LEU 59 1HB LEU 59 9.504 -8.641 4.610 469 HB3 LEU 59 2HB LEU 59 8.311 -9.183 5.789 470 HG LEU 59 HG LEU 59 9.783 -11.004 5.272 471 HD11 LEU 59 1HD1 LEU 59 7.071 -11.298 3.995 472 HD12 LEU 59 2HD1 LEU 59 7.519 -11.663 5.660 473 HD13 LEU 59 3HD1 LEU 59 8.155 -12.645 4.341 474 HD21 LEU 59 3HD2 LEU 59 10.743 -11.176 3.281 475 HD22 LEU 59 1HD2 LEU 59 9.696 -9.909 2.644 476 HD23 LEU 59 2HD2 LEU 59 9.182 -11.595 2.573 477 H MET 60 H MET 60 6.619 -6.653 4.997 478 HA MET 60 HA MET 60 4.383 -8.050 6.286 479 HB2 MET 60 1HB MET 60 5.179 -5.229 6.913 480 HB3 MET 60 2HB MET 60 4.385 -6.411 7.945 481 HG2 MET 60 1HG MET 60 6.750 -7.640 7.501 482 HG3 MET 60 2HG MET 60 7.238 -5.948 7.443 483 HE1 MET 60 3HE MET 60 4.555 -5.279 10.168 484 HE2 MET 60 1HE MET 60 6.047 -4.487 10.673 485 HE3 MET 60 2HE MET 60 5.569 -4.465 8.976 486 H ILE 61 H ILE 61 5.144 -5.182 4.350 487 HA ILE 61 HA ILE 61 2.600 -4.087 4.151 488 HB ILE 61 HB ILE 61 4.846 -4.103 2.138 489 HG12 ILE 61 1HG1 ILE 61 5.028 -2.973 4.468 490 HG13 ILE 61 2HG1 ILE 61 5.498 -2.051 3.043 491 HG21 ILE 61 1HG2 ILE 61 3.124 -3.569 0.736 492 HG22 ILE 61 2HG2 ILE 61 2.134 -2.893 2.029 493 HG23 ILE 61 3HG2 ILE 61 3.490 -1.970 1.381 494 HD11 ILE 61 3HD1 ILE 61 4.148 -0.783 4.693 495 HD12 ILE 61 1HD1 ILE 61 3.447 -0.834 3.075 496 HD13 ILE 61 2HD1 ILE 61 2.798 -1.865 4.351 497 H GLN 62 H GLN 62 4.052 -6.759 2.390 498 HA GLN 62 HA GLN 62 2.117 -7.005 0.366 499 HB2 GLN 62 1HB GLN 62 4.162 -8.816 1.568 500 HB3 GLN 62 2HB GLN 62 2.928 -9.521 0.532 501 HG2 GLN 62 1HG GLN 62 3.581 -7.881 -1.231 502 HG3 GLN 62 2HG GLN 62 4.923 -7.394 -0.197 503 HE21 GLN 62 1HE2 GLN 62 6.584 -8.897 0.232 504 HE22 GLN 62 2HE2 GLN 62 6.870 -10.236 -0.821 505 H SER 63 H SER 63 1.943 -7.621 3.703 506 HA SER 63 HA SER 63 -0.474 -9.266 3.331 507 HB2 SER 63 1HB SER 63 1.684 -10.000 4.758 508 HB3 SER 63 2HB SER 63 0.803 -9.122 6.009 509 HG SER 63 HG SER 63 -0.195 -10.976 6.193 510 H PHE 64 H PHE 64 0.436 -6.192 3.862 511 HA PHE 64 HA PHE 64 -1.677 -5.619 5.817 512 HB2 PHE 64 1HB PHE 64 0.782 -4.158 4.937 513 HB3 PHE 64 2HB PHE 64 -0.565 -3.244 5.606 514 HD1 PHE 64 1HD PHE 64 -1.571 -4.881 7.735 515 HD2 PHE 64 2HD PHE 64 2.455 -4.251 6.507 516 HE1 PHE 64 1HE PHE 64 -0.798 -5.407 10.011 517 HE2 PHE 64 2HE PHE 64 3.235 -4.777 8.780 518 HZ PHE 64 HZ PHE 64 1.607 -5.357 10.535 519 H MET 65 H MET 65 -0.380 -3.760 3.076 520 HA MET 65 HA MET 65 -3.107 -3.004 2.359 521 HB2 MET 65 1HB MET 65 -1.027 -1.416 2.583 522 HB3 MET 65 2HB MET 65 -0.680 -1.965 0.949 523 HG2 MET 65 1HG MET 65 -2.978 -1.238 0.302 524 HG3 MET 65 2HG MET 65 -3.140 -0.529 1.907 525 HE1 MET 65 3HE MET 65 0.316 -0.431 -0.227 526 HE2 MET 65 1HE MET 65 -1.065 -0.701 -1.290 527 HE3 MET 65 2HE MET 65 -0.193 0.831 -1.350 528 H GLU 66 H GLU 66 -3.760 -3.005 0.088 529 HA GLU 66 HA GLU 66 -2.371 -4.960 -1.592 530 HB2 GLU 66 1HB GLU 66 -3.988 -6.361 -0.604 531 HB3 GLU 66 2HB GLU 66 -5.232 -5.120 -0.677 532 HG2 GLU 66 1HG GLU 66 -5.320 -5.329 -3.098 533 HG3 GLU 66 2HG GLU 66 -4.044 -6.544 -3.048 534 H VAL 67 H VAL 67 -2.662 -4.685 -3.802 535 HA VAL 67 HA VAL 67 -4.366 -2.473 -4.688 536 HB VAL 67 HB VAL 67 -1.566 -2.672 -5.746 537 HG11 VAL 67 1HG1 VAL 67 -2.985 -0.102 -5.483 538 HG12 VAL 67 2HG1 VAL 67 -2.025 -0.740 -6.819 539 HG13 VAL 67 3HG1 VAL 67 -3.696 -1.262 -6.605 540 HG21 VAL 67 3HG2 VAL 67 -2.482 -1.321 -3.229 541 HG22 VAL 67 1HG2 VAL 67 -1.075 -2.352 -3.486 542 HG23 VAL 67 2HG2 VAL 67 -1.102 -0.716 -4.145 543 H SER 68 H SER 68 -5.061 -2.610 -6.821 544 HA SER 68 HA SER 68 -4.069 -4.456 -8.714 545 HB2 SER 68 1HB SER 68 -6.339 -5.355 -6.975 546 HB3 SER 68 2HB SER 68 -6.285 -5.862 -8.663 547 HG SER 68 HG SER 68 -4.495 -6.439 -6.571 548 H GLN 69 H GLN 69 -6.586 -2.372 -7.540 549 HA GLN 69 HA GLN 69 -7.986 -0.917 -8.585 550 HB2 GLN 69 1HB GLN 69 -5.786 -1.301 -10.479 551 HB3 GLN 69 2HB GLN 69 -7.292 -0.819 -11.248 552 HG2 GLN 69 1HG GLN 69 -7.424 1.100 -9.698 553 HG3 GLN 69 2HG GLN 69 -5.855 0.638 -9.042 554 HE21 GLN 69 1HE2 GLN 69 -7.268 2.750 -11.017 555 HE22 GLN 69 2HE2 GLN 69 -5.990 3.048 -12.139 556 H THR 70 H THR 70 -9.983 -1.038 -9.493 557 HA THR 70 HA THR 70 -10.844 -3.645 -10.403 558 HB THR 70 HB THR 70 -12.838 -1.519 -10.568 559 HG1 THR 70 1HG THR 70 -12.161 -0.514 -8.820 560 HG21 THR 70 3HG2 THR 70 -13.946 -3.114 -8.897 561 HG22 THR 70 1HG2 THR 70 -12.557 -4.166 -9.170 562 HG23 THR 70 2HG2 THR 70 -13.616 -3.736 -10.514 563 H VAL 71 H VAL 71 -10.835 -4.234 -12.462 564 HA VAL 71 HA VAL 71 -11.188 -2.157 -14.525 565 HB VAL 71 HB VAL 71 -9.588 -4.685 -14.901 566 HG11 VAL 71 1HG1 VAL 71 -10.232 -3.918 -16.999 567 HG12 VAL 71 2HG1 VAL 71 -10.089 -2.223 -16.532 568 HG13 VAL 71 3HG1 VAL 71 -8.639 -3.195 -16.781 569 HG21 VAL 71 3HG2 VAL 71 -7.955 -3.770 -13.697 570 HG22 VAL 71 1HG2 VAL 71 -7.849 -2.500 -14.916 571 HG23 VAL 71 2HG2 VAL 71 -8.867 -2.275 -13.494 572 H HIS 72 H HIS 72 -12.995 -2.398 -15.647 573 HA HIS 72 HA HIS 72 -14.869 -3.305 -16.570 574 HB2 HIS 72 1HB HIS 72 -12.742 -5.332 -17.090 575 HB3 HIS 72 2HB HIS 72 -14.411 -5.769 -17.447 576 HD1 HIS 72 1HD HIS 72 -15.529 -4.634 -19.452 577 HD2 HIS 72 2HD HIS 72 -11.653 -3.319 -18.739 578 HE1 HIS 72 1HE HIS 72 -14.885 -3.305 -21.488 579 H GLY 73 H GLY 73 -14.282 -3.735 -13.663 580 HA2 GLY 73 1HA GLY 73 -15.728 -4.561 -12.016 581 HA3 GLY 73 2HA GLY 73 -16.431 -5.644 -13.208 582 H LYS 74 H LYS 74 -13.002 -5.555 -13.008 583 HA LYS 74 HA LYS 74 -12.881 -7.807 -11.163 584 HB2 LYS 74 1HB LYS 74 -12.097 -7.949 -14.068 585 HB3 LYS 74 2HB LYS 74 -11.410 -9.035 -12.868 586 HG2 LYS 74 1HG LYS 74 -14.131 -9.202 -12.421 587 HG3 LYS 74 2HG LYS 74 -13.992 -9.107 -14.178 588 HD2 LYS 74 1HD LYS 74 -12.515 -10.995 -14.225 589 HD3 LYS 74 2HD LYS 74 -12.410 -11.018 -12.463 590 HE2 LYS 74 1HE LYS 74 -15.002 -11.300 -12.602 591 HE3 LYS 74 2HE LYS 74 -14.664 -11.841 -14.246 592 HZ1 LYS 74 3HZ LYS 74 -13.816 -13.061 -11.695 593 HZ2 LYS 74 1HZ LYS 74 -12.987 -13.391 -13.132 594 HZ3 LYS 74 2HZ LYS 74 -14.627 -13.778 -12.994 595 H ALA 75 H ALA 75 -11.182 -7.599 -9.863 596 HA ALA 75 HA ALA 75 -9.405 -5.455 -9.979 597 HB1 ALA 75 1HB ALA 75 -8.494 -6.271 -8.047 598 HB2 ALA 75 2HB ALA 75 -10.036 -7.128 -8.046 599 HB3 ALA 75 3HB ALA 75 -8.572 -7.949 -8.586 600 H GLN 76 H GLN 76 -7.199 -5.307 -10.490 601 HA GLN 76 HA GLN 76 -6.333 -7.225 -12.535 602 HB2 GLN 76 1HB GLN 76 -6.454 -4.506 -12.652 603 HB3 GLN 76 2HB GLN 76 -4.781 -4.748 -12.169 604 HG2 GLN 76 1HG GLN 76 -4.185 -5.598 -14.161 605 HG3 GLN 76 2HG GLN 76 -5.715 -6.447 -14.377 606 HE21 GLN 76 1HE2 GLN 76 -5.090 -3.017 -13.806 607 HE22 GLN 76 2HE2 GLN 76 -5.806 -2.459 -15.276 608 H ASN 77 H ASN 77 -3.602 -6.563 -12.520 609 HA ASN 77 HA ASN 77 -2.752 -7.678 -9.928 610 HB2 ASN 77 1HB ASN 77 -0.886 -8.762 -11.194 611 HB3 ASN 77 2HB ASN 77 -2.483 -9.361 -11.632 612 HD21 ASN 77 1HD2 ASN 77 -3.354 -8.829 -13.638 613 HD22 ASN 77 2HD2 ASN 77 -2.373 -8.233 -14.930 614 H LEU 78 H LEU 78 -2.865 -5.038 -9.942 615 HA LEU 78 HA LEU 78 -0.825 -3.522 -11.010 616 HB2 LEU 78 1HB LEU 78 -2.516 -3.333 -8.584 617 HB3 LEU 78 2HB LEU 78 -1.091 -2.298 -8.652 618 HG LEU 78 HG LEU 78 -1.909 -1.119 -10.519 619 HD11 LEU 78 1HD1 LEU 78 -2.727 -2.604 -12.052 620 HD12 LEU 78 2HD1 LEU 78 -4.235 -1.921 -11.445 621 HD13 LEU 78 3HD1 LEU 78 -3.678 -3.487 -10.858 622 HD21 LEU 78 3HD2 LEU 78 -4.143 -1.710 -8.588 623 HD22 LEU 78 1HD2 LEU 78 -4.206 -0.426 -9.796 624 HD23 LEU 78 2HD2 LEU 78 -2.983 -0.383 -8.526 625 H GLN 79 H GLN 79 1.305 -3.666 -10.865 626 HA GLN 79 HA GLN 79 2.490 -4.630 -8.350 627 HB2 GLN 79 1HB GLN 79 3.504 -5.289 -11.120 628 HB3 GLN 79 2HB GLN 79 4.182 -5.847 -9.596 629 HG2 GLN 79 1HG GLN 79 1.541 -6.643 -9.470 630 HG3 GLN 79 2HG GLN 79 1.985 -6.909 -11.155 631 HE21 GLN 79 1HE2 GLN 79 4.284 -7.908 -11.336 632 HE22 GLN 79 2HE2 GLN 79 4.560 -9.279 -10.322 633 H TYR 80 H TYR 80 5.135 -4.316 -8.931 634 HA TYR 80 HA TYR 80 5.655 -1.676 -8.387 635 HB2 TYR 80 1HB TYR 80 7.285 -3.538 -8.153 636 HB3 TYR 80 2HB TYR 80 7.490 -3.545 -9.901 637 HD1 TYR 80 2HD TYR 80 7.680 -1.172 -7.019 638 HD2 TYR 80 1HD TYR 80 9.252 -2.350 -10.793 639 HE1 TYR 80 2HE TYR 80 9.437 0.537 -6.814 640 HE2 TYR 80 1HE TYR 80 11.014 -0.645 -10.598 641 HH TYR 80 HH TYR 80 12.169 0.573 -8.485 642 H ALA 81 H ALA 81 5.320 0.110 -9.514 643 HA ALA 81 HA ALA 81 4.849 0.039 -12.350 644 HB1 ALA 81 1HB ALA 81 5.003 2.698 -11.670 645 HB2 ALA 81 2HB ALA 81 3.540 1.712 -11.661 646 HB3 ALA 81 3HB ALA 81 4.462 1.936 -10.174 647 H VAL 82 H VAL 82 6.522 -0.169 -13.693 648 HA VAL 82 HA VAL 82 9.178 0.595 -13.084 649 HB VAL 82 HB VAL 82 7.900 -0.056 -15.742 650 HG11 VAL 82 1HG1 VAL 82 10.507 -0.596 -16.110 651 HG12 VAL 82 2HG1 VAL 82 9.762 0.942 -16.546 652 HG13 VAL 82 3HG1 VAL 82 10.635 0.785 -15.022 653 HG21 VAL 82 3HG2 VAL 82 8.896 -2.240 -15.461 654 HG22 VAL 82 1HG2 VAL 82 9.647 -1.736 -13.947 655 HG23 VAL 82 2HG2 VAL 82 7.892 -1.869 -14.059 656 H LEU 83 H LEU 83 10.348 2.383 -13.590 657 HA LEU 83 HA LEU 83 9.155 4.460 -15.256 658 HB2 LEU 83 1HB LEU 83 9.845 6.154 -13.474 659 HB3 LEU 83 2HB LEU 83 8.364 5.235 -13.213 660 HG LEU 83 HG LEU 83 9.810 3.687 -11.764 661 HD11 LEU 83 1HD1 LEU 83 11.975 4.125 -11.606 662 HD12 LEU 83 2HD1 LEU 83 11.598 5.693 -10.892 663 HD13 LEU 83 3HD1 LEU 83 11.787 5.542 -12.639 664 HD21 LEU 83 3HD2 LEU 83 9.827 5.719 -9.975 665 HD22 LEU 83 1HD2 LEU 83 8.392 4.794 -10.415 666 HD23 LEU 83 2HD2 LEU 83 8.707 6.350 -11.184 667 H THR 84 H THR 84 10.637 5.818 -16.232 668 HA THR 84 HA THR 84 13.204 4.810 -16.709 669 HB THR 84 HB THR 84 13.638 6.770 -17.985 670 HG1 THR 84 1HG THR 84 12.913 8.681 -17.408 671 HG21 THR 84 3HG2 THR 84 12.060 6.357 -19.518 672 HG22 THR 84 1HG2 THR 84 10.772 6.938 -18.463 673 HG23 THR 84 2HG2 THR 84 11.338 5.273 -18.329 674 H ASP 85 H ASP 85 12.113 7.431 -14.587 675 HA ASP 85 HA ASP 85 14.131 7.036 -12.685 676 HB2 ASP 85 1HB ASP 85 15.276 8.172 -14.835 677 HB3 ASP 85 2HB ASP 85 14.713 9.625 -14.013 678 H SER 86 H SER 86 13.786 8.247 -10.846 679 HA SER 86 HA SER 86 12.063 10.566 -10.905 680 HB2 SER 86 1HB SER 86 11.159 7.948 -9.706 681 HB3 SER 86 2HB SER 86 10.477 9.498 -9.213 682 HG SER 86 HG SER 86 9.854 9.829 -11.383 683 HA PRO 87 HA PRO 87 14.383 11.660 -7.344 684 HB2 PRO 87 1HB PRO 87 12.602 13.207 -6.001 685 HB3 PRO 87 2HB PRO 87 13.402 13.733 -7.486 686 HG2 PRO 87 1HG PRO 87 10.655 12.604 -7.112 687 HG3 PRO 87 2HG PRO 87 11.177 13.966 -8.120 688 HD2 PRO 87 1HD PRO 87 10.700 11.502 -9.135 689 HD3 PRO 87 2HD PRO 87 11.929 12.591 -9.810 690 H PHE 88 H PHE 88 11.426 9.918 -7.034 691 HA PHE 88 HA PHE 88 11.812 9.450 -4.180 692 HB2 PHE 88 1HB PHE 88 9.597 8.964 -6.122 693 HB3 PHE 88 2HB PHE 88 9.684 7.952 -4.684 694 HD1 PHE 88 1HD PHE 88 10.652 11.510 -4.896 695 HD2 PHE 88 2HD PHE 88 7.761 8.691 -3.551 696 HE1 PHE 88 1HE PHE 88 9.541 13.277 -3.592 697 HE2 PHE 88 2HE PHE 88 6.645 10.453 -2.246 698 HZ PHE 88 HZ PHE 88 7.534 12.750 -2.266 699 H GLN 89 H GLN 89 13.847 8.459 -5.840 700 HA GLN 89 HA GLN 89 13.389 5.623 -6.210 701 HB2 GLN 89 1HB GLN 89 15.067 7.474 -7.401 702 HB3 GLN 89 2HB GLN 89 16.158 6.525 -6.400 703 HG2 GLN 89 1HG GLN 89 14.317 5.509 -8.549 704 HG3 GLN 89 2HG GLN 89 16.079 5.569 -8.589 705 HE21 GLN 89 1HE2 GLN 89 17.063 4.430 -6.572 706 HE22 GLN 89 2HE2 GLN 89 16.432 2.854 -6.254 707 H ASP 90 H ASP 90 14.416 7.667 -3.713 708 HA ASP 90 HA ASP 90 16.240 5.911 -2.406 709 HB2 ASP 90 1HB ASP 90 15.072 8.523 -1.921 710 HB3 ASP 90 2HB ASP 90 15.128 7.561 -0.446 711 H LYS 91 H LYS 91 12.931 5.769 -2.861 712 HA LYS 91 HA LYS 91 12.598 4.034 -0.501 713 HB2 LYS 91 1HB LYS 91 10.147 4.567 -0.695 714 HB3 LYS 91 2HB LYS 91 11.164 5.921 -0.219 715 HG2 LYS 91 1HG LYS 91 11.180 6.454 -2.766 716 HG3 LYS 91 2HG LYS 91 9.736 5.438 -2.793 717 HD2 LYS 91 1HD LYS 91 8.710 7.410 -2.357 718 HD3 LYS 91 2HD LYS 91 9.140 7.001 -0.695 719 HE2 LYS 91 1HE LYS 91 10.930 8.624 -2.487 720 HE3 LYS 91 2HE LYS 91 9.691 9.355 -1.468 721 HZ1 LYS 91 3HZ LYS 91 11.738 9.410 -0.292 722 HZ2 LYS 91 1HZ LYS 91 12.035 7.770 -0.579 723 HZ3 LYS 91 2HZ LYS 91 10.775 8.233 0.449 724 H LEU 92 H LEU 92 12.396 4.334 -3.920 725 HA LEU 92 HA LEU 92 10.653 2.183 -4.478 726 HB2 LEU 92 1HB LEU 92 12.561 3.849 -5.969 727 HB3 LEU 92 2HB LEU 92 12.295 2.241 -6.639 728 HG LEU 92 HG LEU 92 10.012 2.673 -7.036 729 HD11 LEU 92 1HD1 LEU 92 10.365 4.660 -4.924 730 HD12 LEU 92 2HD1 LEU 92 8.933 3.748 -5.401 731 HD13 LEU 92 3HD1 LEU 92 9.373 5.217 -6.273 732 HD21 LEU 92 3HD2 LEU 92 12.022 4.306 -8.115 733 HD22 LEU 92 1HD2 LEU 92 10.642 5.362 -7.812 734 HD23 LEU 92 2HD2 LEU 92 10.448 3.925 -8.816 735 H ASP 93 H ASP 93 13.980 2.334 -3.551 736 HA ASP 93 HA ASP 93 14.374 -0.494 -4.225 737 HB2 ASP 93 1HB ASP 93 16.654 -0.119 -4.239 738 HB3 ASP 93 2HB ASP 93 16.057 1.452 -4.767 739 H ARG 94 H ARG 94 13.300 1.334 -1.705 740 HA ARG 94 HA ARG 94 14.642 0.122 0.493 741 HB2 ARG 94 1HB ARG 94 12.156 1.770 0.183 742 HB3 ARG 94 2HB ARG 94 12.504 0.987 1.719 743 HG2 ARG 94 1HG ARG 94 14.506 2.756 0.356 744 HG3 ARG 94 2HG ARG 94 13.259 3.398 1.427 745 HD2 ARG 94 1HD ARG 94 15.256 1.271 2.190 746 HD3 ARG 94 2HD ARG 94 15.426 2.987 2.562 747 HE ARG 94 HE ARG 94 12.955 1.885 3.498 748 HH11 ARG 94 1HH1 ARG 94 16.338 2.272 4.220 749 HH12 ARG 94 2HH1 ARG 94 16.122 2.130 5.933 750 HH21 ARG 94 1HH2 ARG 94 12.658 1.696 5.751 751 HH22 ARG 94 2HH2 ARG 94 14.029 1.801 6.803 752 H LEU 95 H LEU 95 11.925 -0.757 -1.480 753 HA LEU 95 HA LEU 95 10.657 -2.569 0.256 754 HB2 LEU 95 1HB LEU 95 10.783 -2.919 -2.720 755 HB3 LEU 95 2HB LEU 95 9.476 -3.346 -1.617 756 HG LEU 95 HG LEU 95 9.984 -0.499 -1.588 757 HD11 LEU 95 1HD1 LEU 95 10.159 0.020 -3.734 758 HD12 LEU 95 2HD1 LEU 95 8.727 -0.934 -4.116 759 HD13 LEU 95 3HD1 LEU 95 10.318 -1.694 -4.116 760 HD21 LEU 95 3HD2 LEU 95 7.724 -2.394 -1.862 761 HD22 LEU 95 1HD2 LEU 95 7.485 -0.759 -2.477 762 HD23 LEU 95 2HD2 LEU 95 7.923 -1.009 -0.787 763 H ALA 96 H ALA 96 13.652 -2.733 -1.341 764 HA ALA 96 HA ALA 96 13.755 -5.660 -1.064 765 HB1 ALA 96 1HB ALA 96 14.881 -5.704 -2.975 766 HB2 ALA 96 2HB ALA 96 14.603 -3.969 -3.130 767 HB3 ALA 96 3HB ALA 96 16.071 -4.560 -2.354 768 H ASP 97 H ASP 97 14.253 -3.225 0.876 769 HA ASP 97 HA ASP 97 16.848 -4.175 1.893 770 HB2 ASP 97 1HB ASP 97 15.952 -1.568 1.388 771 HB3 ASP 97 2HB ASP 97 15.908 -1.738 3.141 772 H GLU 98 H GLU 98 16.736 -3.246 4.463 773 HA GLU 98 HA GLU 98 14.754 -5.056 5.628 774 HB2 GLU 98 1HB GLU 98 17.162 -3.739 6.899 775 HB3 GLU 98 2HB GLU 98 16.122 -4.934 7.662 776 HG2 GLU 98 1HG GLU 98 16.954 -6.666 6.409 777 HG3 GLU 98 2HG GLU 98 17.468 -5.611 5.094 778 H ILE 99 H ILE 99 14.242 -4.222 8.047 779 HA ILE 99 HA ILE 99 13.192 -1.483 7.747 780 HB ILE 99 HB ILE 99 11.538 -2.595 9.605 781 HG12 ILE 99 1HG1 ILE 99 10.783 -4.761 8.588 782 HG13 ILE 99 2HG1 ILE 99 12.220 -4.727 7.571 783 HG21 ILE 99 1HG2 ILE 99 11.398 -1.646 6.932 784 HG22 ILE 99 2HG2 ILE 99 10.364 -3.067 7.069 785 HG23 ILE 99 3HG2 ILE 99 10.125 -1.695 8.152 786 HD11 ILE 99 3HD1 ILE 99 13.460 -5.590 9.187 787 HD12 ILE 99 1HD1 ILE 99 12.911 -4.377 10.343 788 HD13 ILE 99 2HD1 ILE 99 11.972 -5.850 10.096 789 H ASN 100 H ASN 100 12.473 -0.656 10.044 790 HA ASN 100 HA ASN 100 14.787 -1.047 11.818 791 HB2 ASN 100 1HB ASN 100 13.101 1.322 11.144 792 HB3 ASN 100 2HB ASN 100 13.805 1.233 12.755 793 HD21 ASN 100 1HD2 ASN 100 15.106 0.131 9.662 794 HD22 ASN 100 2HD2 ASN 100 16.504 1.146 9.688 795 HA PRO 101 HA PRO 101 11.357 -2.959 14.184 796 HB2 PRO 101 1HB PRO 101 12.958 -4.743 15.458 797 HB3 PRO 101 2HB PRO 101 12.299 -5.026 13.842 798 HG2 PRO 101 1HG PRO 101 15.020 -4.062 14.636 799 HG3 PRO 101 2HG PRO 101 14.571 -5.251 13.399 800 HD2 PRO 101 1HD PRO 101 15.204 -2.688 12.796 801 HD3 PRO 101 2HD PRO 101 14.024 -3.626 11.858 802 H GLY 102 H GLY 102 11.152 -0.989 15.390 803 HA2 GLY 102 1HA GLY 102 11.109 -0.679 17.875 804 HA3 GLY 102 2HA GLY 102 12.850 -0.907 17.808 805 H GLU 103 H GLU 103 11.954 0.750 15.087 806 HA GLU 103 HA GLU 103 12.482 3.343 16.384 807 HB2 GLU 103 1HB GLU 103 14.160 2.172 14.663 808 HB3 GLU 103 2HB GLU 103 13.106 2.967 13.502 809 HG2 GLU 103 1HG GLU 103 14.339 4.783 13.773 810 HG3 GLU 103 2HG GLU 103 13.642 4.926 15.386 811 H THR 104 H THR 104 11.981 5.043 14.323 812 HA THR 104 HA THR 104 9.202 4.492 13.530 813 HB THR 104 HB THR 104 8.952 5.949 15.392 814 HG1 THR 104 1HG THR 104 8.919 7.749 13.203 815 HG21 THR 104 3HG2 THR 104 10.719 7.150 16.043 816 HG22 THR 104 1HG2 THR 104 10.280 8.319 14.798 817 HG23 THR 104 2HG2 THR 104 11.457 7.055 14.444 818 H ILE 105 H ILE 105 9.460 4.244 11.379 819 HA ILE 105 HA ILE 105 10.351 6.570 9.867 820 HB ILE 105 HB ILE 105 11.849 5.371 8.441 821 HG12 ILE 105 1HG1 ILE 105 12.280 2.881 9.611 822 HG13 ILE 105 2HG1 ILE 105 10.528 3.052 9.600 823 HG21 ILE 105 1HG2 ILE 105 12.448 4.758 11.331 824 HG22 ILE 105 2HG2 ILE 105 13.627 4.741 10.020 825 HG23 ILE 105 3HG2 ILE 105 12.834 6.250 10.474 826 HD11 ILE 105 3HD1 ILE 105 10.407 3.055 7.319 827 HD12 ILE 105 1HD1 ILE 105 12.045 3.676 7.121 828 HD13 ILE 105 2HD1 ILE 105 11.789 1.991 7.576 829 H GLN 106 H GLN 106 10.255 5.636 7.342 830 HA GLN 106 HA GLN 106 8.009 3.940 6.849 831 HB2 GLN 106 1HB GLN 106 6.600 5.694 5.777 832 HB3 GLN 106 2HB GLN 106 6.733 5.863 7.523 833 HG2 GLN 106 1HG GLN 106 8.447 7.598 7.199 834 HG3 GLN 106 2HG GLN 106 8.230 7.457 5.455 835 HE21 GLN 106 1HE2 GLN 106 6.970 8.699 8.402 836 HE22 GLN 106 2HE2 GLN 106 5.660 9.596 7.720 837 H GLY 107 H GLY 107 7.355 4.148 4.424 838 HA2 GLY 107 1HA GLY 107 9.602 4.998 2.755 839 HA3 GLY 107 2HA GLY 107 9.188 3.290 2.737 840 H ALA 108 H ALA 108 8.475 3.108 0.666 841 HA ALA 108 HA ALA 108 5.887 4.305 0.093 842 HB1 ALA 108 1HB ALA 108 6.556 5.132 -2.102 843 HB2 ALA 108 2HB ALA 108 7.467 5.931 -0.819 844 HB3 ALA 108 3HB ALA 108 8.224 4.660 -1.780 845 H TYR 109 H TYR 109 5.342 3.521 -2.352 846 HA TYR 109 HA TYR 109 6.331 0.981 -3.122 847 HB2 TYR 109 1HB TYR 109 4.894 0.596 -0.955 848 HB3 TYR 109 2HB TYR 109 3.539 0.760 -2.065 849 HD1 TYR 109 2HD TYR 109 5.522 -0.514 -4.320 850 HD2 TYR 109 1HD TYR 109 3.988 -1.717 -0.538 851 HE1 TYR 109 2HE TYR 109 5.771 -2.872 -4.975 852 HE2 TYR 109 1HE TYR 109 4.234 -4.078 -1.182 853 HH TYR 109 HH TYR 109 5.009 -5.497 -2.715 854 HA PRO 110 HA PRO 110 4.087 3.268 -6.396 855 HB2 PRO 110 1HB PRO 110 5.840 2.588 -8.354 856 HB3 PRO 110 2HB PRO 110 6.100 3.955 -7.264 857 HG2 PRO 110 1HG PRO 110 7.244 1.191 -7.144 858 HG3 PRO 110 2HG PRO 110 8.049 2.748 -6.873 859 HD2 PRO 110 1HD PRO 110 7.235 1.155 -4.840 860 HD3 PRO 110 2HD PRO 110 7.254 2.926 -4.717 861 H TYR 111 H TYR 111 2.359 2.281 -7.215 862 HA TYR 111 HA TYR 111 2.611 -0.519 -8.091 863 HB2 TYR 111 1HB TYR 111 0.272 1.029 -6.989 864 HB3 TYR 111 2HB TYR 111 0.061 -0.497 -7.840 865 HD1 TYR 111 2HD TYR 111 1.340 1.100 -4.796 866 HD2 TYR 111 1HD TYR 111 0.739 -2.589 -6.829 867 HE1 TYR 111 2HE TYR 111 1.775 -0.118 -2.704 868 HE2 TYR 111 1HE TYR 111 1.171 -3.817 -4.742 869 HH TYR 111 HH TYR 111 1.010 -2.588 -1.820 870 H GLU 112 H GLU 112 0.798 -1.041 -9.781 871 HA GLU 112 HA GLU 112 1.426 0.428 -12.120 872 HB2 GLU 112 1HB GLU 112 0.381 -2.066 -11.587 873 HB3 GLU 112 2HB GLU 112 -0.992 -1.213 -12.278 874 HG2 GLU 112 1HG GLU 112 0.118 -0.833 -14.303 875 HG3 GLU 112 2HG GLU 112 1.692 -1.220 -13.610 876 H PHE 113 H PHE 113 0.349 1.997 -13.192 877 HA PHE 113 HA PHE 113 -2.179 2.943 -12.009 878 HB2 PHE 113 1HB PHE 113 0.146 4.332 -11.946 879 HB3 PHE 113 2HB PHE 113 -0.518 4.901 -13.474 880 HD1 PHE 113 2HD PHE 113 -1.878 4.155 -10.075 881 HD2 PHE 113 1HD PHE 113 -1.598 6.907 -13.310 882 HE1 PHE 113 2HE PHE 113 -3.321 5.730 -8.855 883 HE2 PHE 113 1HE PHE 113 -3.040 8.488 -12.094 884 HZ PHE 113 HZ PHE 113 -3.904 7.899 -9.865 885 H ILE 114 H ILE 114 -1.196 1.262 -14.482 886 HA ILE 114 HA ILE 114 -1.730 2.403 -16.876 887 HB ILE 114 HB ILE 114 -2.710 -0.298 -15.948 888 HG12 ILE 114 1HG1 ILE 114 -0.314 0.260 -17.677 889 HG13 ILE 114 2HG1 ILE 114 -0.195 0.332 -15.922 890 HG21 ILE 114 1HG2 ILE 114 -2.602 0.953 -18.674 891 HG22 ILE 114 2HG2 ILE 114 -2.588 -0.796 -18.450 892 HG23 ILE 114 3HG2 ILE 114 -3.959 0.155 -17.878 893 HD11 ILE 114 3HD1 ILE 114 0.445 -1.821 -16.313 894 HD12 ILE 114 1HD1 ILE 114 -1.287 -2.043 -16.066 895 HD13 ILE 114 2HD1 ILE 114 -0.626 -2.007 -17.701 896 H ASN 115 H ASN 115 -4.100 1.501 -14.435 897 HA ASN 115 HA ASN 115 -6.312 2.312 -16.140 898 HB2 ASN 115 1HB ASN 115 -6.078 1.003 -13.455 899 HB3 ASN 115 2HB ASN 115 -7.592 1.778 -13.910 900 HD21 ASN 115 1HD2 ASN 115 -9.013 0.512 -14.843 901 HD22 ASN 115 2HD2 ASN 115 -8.670 -0.923 -15.741 902 H GLU 116 H GLU 116 -4.665 4.432 -15.766 903 HA GLU 116 HA GLU 116 -5.148 6.052 -13.539 904 HB2 GLU 116 1HB GLU 116 -4.442 7.932 -15.003 905 HB3 GLU 116 2HB GLU 116 -3.345 6.560 -15.056 906 HG2 GLU 116 1HG GLU 116 -3.526 6.520 -17.254 907 HG3 GLU 116 2HG GLU 116 -5.246 6.170 -17.099 908 H ASN 117 H ASN 117 -7.165 5.241 -16.189 909 HA ASN 117 HA ASN 117 -8.898 7.547 -15.888 910 HB2 ASN 117 1HB ASN 117 -10.311 6.264 -17.585 911 HB3 ASN 117 2HB ASN 117 -8.717 6.785 -18.122 912 HD21 ASN 117 1HD2 ASN 117 -7.006 5.206 -18.123 913 HD22 ASN 117 2HD2 ASN 117 -7.384 3.538 -18.369 914 H LYS 118 H LYS 118 -8.499 4.573 -14.379 915 HA LYS 118 HA LYS 118 -11.276 4.620 -13.389 916 HB2 LYS 118 1HB LYS 118 -9.474 2.202 -13.401 917 HB3 LYS 118 2HB LYS 118 -11.205 2.254 -13.096 918 HG2 LYS 118 1HG LYS 118 -9.859 2.834 -15.727 919 HG3 LYS 118 2HG LYS 118 -10.718 1.352 -15.301 920 HD2 LYS 118 1HD LYS 118 -12.711 2.928 -14.817 921 HD3 LYS 118 2HD LYS 118 -11.811 4.102 -15.780 922 HE2 LYS 118 1HE LYS 118 -11.750 2.512 -17.644 923 HE3 LYS 118 2HE LYS 118 -12.659 1.349 -16.680 924 HZ1 LYS 118 3HZ LYS 118 -13.677 4.053 -17.346 925 HZ2 LYS 118 1HZ LYS 118 -14.542 2.759 -16.680 926 HZ3 LYS 118 2HZ LYS 118 -14.005 2.683 -18.282 927 HA PRO 119 HA PRO 119 -9.762 5.331 -9.329 928 HB2 PRO 119 1HB PRO 119 -11.625 4.025 -7.848 929 HB3 PRO 119 2HB PRO 119 -11.956 5.548 -8.682 930 HG2 PRO 119 1HG PRO 119 -12.616 2.750 -9.517 931 HG3 PRO 119 2HG PRO 119 -13.617 4.210 -9.608 932 HD2 PRO 119 1HD PRO 119 -12.299 3.212 -11.752 933 HD3 PRO 119 2HD PRO 119 -12.586 4.950 -11.532 934 H VAL 120 H VAL 120 -9.096 4.214 -7.302 935 HA VAL 120 HA VAL 120 -8.187 1.464 -7.854 936 HB VAL 120 HB VAL 120 -6.744 3.524 -6.181 937 HG11 VAL 120 1HG1 VAL 120 -4.879 1.722 -6.661 938 HG12 VAL 120 2HG1 VAL 120 -6.009 1.535 -5.319 939 HG13 VAL 120 3HG1 VAL 120 -6.274 0.657 -6.825 940 HG21 VAL 120 3HG2 VAL 120 -5.190 2.804 -8.399 941 HG22 VAL 120 1HG2 VAL 120 -6.805 3.133 -9.028 942 HG23 VAL 120 2HG2 VAL 120 -5.958 4.361 -8.086 943 H HIS 121 H HIS 121 -9.368 0.118 -6.660 944 HA HIS 121 HA HIS 121 -10.576 0.904 -4.180 945 HB2 HIS 121 1HB HIS 121 -11.270 -1.521 -4.094 946 HB3 HIS 121 2HB HIS 121 -11.793 -0.646 -5.530 947 HD1 HIS 121 1HD HIS 121 -11.998 -3.080 -6.609 948 HD2 HIS 121 2HD HIS 121 -8.143 -1.803 -5.730 949 HE1 HIS 121 1HE HIS 121 -10.473 -4.605 -7.902 950 H PHE 122 H PHE 122 -8.311 1.512 -3.369 951 HA PHE 122 HA PHE 122 -6.354 -0.292 -2.675 952 HB2 PHE 122 1HB PHE 122 -7.323 2.155 -1.192 953 HB3 PHE 122 2HB PHE 122 -5.867 1.269 -0.750 954 HD1 PHE 122 1HD PHE 122 -4.280 0.806 -2.886 955 HD2 PHE 122 2HD PHE 122 -7.019 4.035 -2.453 956 HE1 PHE 122 1HE PHE 122 -2.985 2.119 -4.515 957 HE2 PHE 122 2HE PHE 122 -5.729 5.352 -4.082 958 HZ PHE 122 HZ PHE 122 -3.710 4.394 -5.116 959 H LYS 123 H LYS 123 -6.705 -2.217 -1.768 960 HA LYS 123 HA LYS 123 -8.641 -2.452 0.416 961 HB2 LYS 123 1HB LYS 123 -7.348 -4.406 -1.453 962 HB3 LYS 123 2HB LYS 123 -8.014 -4.971 0.074 963 HG2 LYS 123 1HG LYS 123 -10.196 -4.331 -0.520 964 HG3 LYS 123 2HG LYS 123 -9.625 -3.352 -1.873 965 HD2 LYS 123 1HD LYS 123 -8.869 -5.383 -3.017 966 HD3 LYS 123 2HD LYS 123 -9.444 -6.359 -1.663 967 HE2 LYS 123 1HE LYS 123 -11.703 -5.089 -2.164 968 HE3 LYS 123 2HE LYS 123 -10.983 -4.914 -3.764 969 HZ1 LYS 123 3HZ LYS 123 -12.124 -7.228 -2.528 970 HZ2 LYS 123 1HZ LYS 123 -10.574 -7.533 -3.136 971 HZ3 LYS 123 2HZ LYS 123 -11.781 -6.936 -4.159 972 H PHE 124 H PHE 124 -7.884 -4.282 2.048 973 HA PHE 124 HA PHE 124 -5.075 -4.011 2.755 974 HB2 PHE 124 1HB PHE 124 -7.235 -3.279 4.739 975 HB3 PHE 124 2HB PHE 124 -5.494 -3.205 4.991 976 HD1 PHE 124 2HD PHE 124 -8.360 -1.638 3.323 977 HD2 PHE 124 1HD PHE 124 -4.193 -1.381 4.152 978 HE1 PHE 124 2HE PHE 124 -8.353 0.697 2.546 979 HE2 PHE 124 1HE PHE 124 -4.180 0.954 3.378 980 HZ PHE 124 HZ PHE 124 -6.261 1.996 2.572 981 H ARG 125 H ARG 125 -5.004 -5.142 5.188 982 HA ARG 125 HA ARG 125 -6.707 -7.415 5.456 983 HB2 ARG 125 1HB ARG 125 -4.442 -7.669 3.725 984 HB3 ARG 125 2HB ARG 125 -4.174 -8.656 5.155 985 HG2 ARG 125 1HG ARG 125 -5.604 -10.195 4.451 986 HG3 ARG 125 2HG ARG 125 -6.860 -8.987 4.172 987 HD2 ARG 125 1HD ARG 125 -6.144 -10.301 2.147 988 HD3 ARG 125 2HD ARG 125 -6.077 -8.547 1.981 989 HE ARG 125 HE ARG 125 -3.830 -8.725 1.647 990 HH11 ARG 125 1HH1 ARG 125 -4.942 -11.601 3.265 991 HH12 ARG 125 2HH1 ARG 125 -3.406 -12.398 3.184 992 HH21 ARG 125 1HH2 ARG 125 -1.802 -9.764 1.535 993 HH22 ARG 125 2HH2 ARG 125 -1.620 -11.352 2.201 994 H ASP 126 H ASP 126 -5.335 -9.097 6.975 995 HA ASP 126 HA ASP 126 -3.623 -7.757 8.859 996 HB2 ASP 126 1HB ASP 126 -5.136 -8.127 10.806 997 HB3 ASP 126 2HB ASP 126 -5.735 -6.916 9.675 998 H ARG 127 H ARG 127 -5.780 -10.546 8.393 999 HA ARG 127 HA ARG 127 -3.539 -12.321 8.981 1000 HB2 ARG 127 1HB ARG 127 -6.141 -12.274 10.498 1001 HB3 ARG 127 2HB ARG 127 -5.141 -13.719 10.415 1002 HG2 ARG 127 1HG ARG 127 -4.062 -11.086 11.367 1003 HG3 ARG 127 2HG ARG 127 -4.863 -12.228 12.449 1004 HD2 ARG 127 1HD ARG 127 -2.916 -13.273 12.684 1005 HD3 ARG 127 2HD ARG 127 -3.018 -13.739 10.987 1006 HE ARG 127 HE ARG 127 -1.984 -11.138 11.152 1007 HH11 ARG 127 1HH1 ARG 127 -1.099 -14.419 11.904 1008 HH12 ARG 127 2HH1 ARG 127 0.600 -14.144 11.705 1009 HH21 ARG 127 1HH2 ARG 127 0.250 -10.763 10.887 1010 HH22 ARG 127 2HH2 ARG 127 1.366 -12.064 11.127 1011 H LEU 128 H LEU 128 -3.597 -14.229 7.874 1012 HA LEU 128 HA LEU 128 -4.169 -15.706 6.243 1013 HB2 LEU 128 1HB LEU 128 -6.519 -15.301 7.850 1014 HB3 LEU 128 2HB LEU 128 -6.970 -15.619 6.176 1015 HG LEU 128 HG LEU 128 -6.921 -17.640 7.619 1016 HD11 LEU 128 1HD1 LEU 128 -6.568 -17.671 5.137 1017 HD12 LEU 128 2HD1 LEU 128 -5.882 -19.043 6.007 1018 HD13 LEU 128 3HD1 LEU 128 -4.834 -17.738 5.453 1019 HD21 LEU 128 3HD2 LEU 128 -4.631 -16.600 8.651 1020 HD22 LEU 128 1HD2 LEU 128 -3.995 -17.813 7.540 1021 HD23 LEU 128 2HD2 LEU 128 -5.129 -18.285 8.805 1022 H LEU 129 H LEU 129 -5.736 -15.941 4.227 1023 HA LEU 129 HA LEU 129 -5.166 -13.752 2.536 1024 HB2 LEU 129 1HB LEU 129 -6.918 -16.172 2.202 1025 HB3 LEU 129 2HB LEU 129 -6.680 -14.983 0.924 1026 HG LEU 129 HG LEU 129 -4.169 -15.993 1.994 1027 HD11 LEU 129 1HD1 LEU 129 -4.426 -18.211 0.832 1028 HD12 LEU 129 2HD1 LEU 129 -6.166 -17.925 0.843 1029 HD13 LEU 129 3HD1 LEU 129 -5.284 -18.048 2.364 1030 HD21 LEU 129 3HD2 LEU 129 -4.837 -14.710 -0.203 1031 HD22 LEU 129 1HD2 LEU 129 -5.100 -16.344 -0.813 1032 HD23 LEU 129 2HD2 LEU 129 -3.514 -15.877 -0.198 1033 H SER 130 H SER 130 -8.415 -15.100 3.048 1034 HA SER 130 HA SER 130 -9.574 -12.707 4.002 1035 HB2 SER 130 1HB SER 130 -10.997 -12.626 1.681 1036 HB3 SER 130 2HB SER 130 -9.626 -11.576 2.037 1037 HG SER 130 HG SER 130 -9.860 -13.410 0.114 1038 H LEU 131 H LEU 131 -10.641 -15.141 1.624 1039 HA LEU 131 HA LEU 131 -12.176 -16.820 1.760 1040 HB2 LEU 131 1HB LEU 131 -12.483 -16.358 4.699 1041 HB3 LEU 131 2HB LEU 131 -12.630 -17.860 3.788 1042 HG LEU 131 HG LEU 131 -10.112 -16.425 4.602 1043 HD11 LEU 131 1HD1 LEU 131 -10.038 -19.167 5.169 1044 HD12 LEU 131 2HD1 LEU 131 -11.644 -18.614 5.645 1045 HD13 LEU 131 3HD1 LEU 131 -10.210 -17.833 6.311 1046 HD21 LEU 131 3HD2 LEU 131 -10.579 -18.454 2.469 1047 HD22 LEU 131 1HD2 LEU 131 -9.100 -18.539 3.427 1048 HD23 LEU 131 2HD2 LEU 131 -9.468 -17.084 2.500 1049 H ASP 132 H ASP 132 -13.189 -14.583 4.347 1050 HA ASP 132 HA ASP 132 -15.854 -14.477 3.163 1051 HB2 ASP 132 1HB ASP 132 -14.774 -14.250 5.831 1052 HB3 ASP 132 2HB ASP 132 -15.781 -12.853 5.457 1053 H GLU 133 H GLU 133 -13.921 -11.961 4.774 1054 HA GLU 133 HA GLU 133 -14.015 -10.280 2.415 1055 HB2 GLU 133 1HB GLU 133 -15.438 -9.518 4.969 1056 HB3 GLU 133 2HB GLU 133 -15.072 -8.391 3.670 1057 HG2 GLU 133 1HG GLU 133 -16.804 -10.840 3.420 1058 HG3 GLU 133 2HG GLU 133 -17.383 -9.183 3.590 1059 HA PRO 134 HA PRO 134 -10.219 -8.766 4.015 1060 HB2 PRO 134 1HB PRO 134 -10.195 -6.237 3.029 1061 HB3 PRO 134 2HB PRO 134 -9.951 -7.665 2.016 1062 HG2 PRO 134 1HG PRO 134 -12.429 -6.038 2.430 1063 HG3 PRO 134 2HG PRO 134 -11.764 -6.700 0.926 1064 HD2 PRO 134 1HD PRO 134 -13.811 -7.873 2.255 1065 HD3 PRO 134 2HD PRO 134 -12.617 -8.804 1.328 1066 H ILE 135 H ILE 135 -9.272 -6.747 5.150 1067 HA ILE 135 HA ILE 135 -10.898 -6.255 7.483 1068 HB ILE 135 HB ILE 135 -8.452 -6.725 7.630 1069 HG12 ILE 135 1HG1 ILE 135 -8.974 -3.988 8.753 1070 HG13 ILE 135 2HG1 ILE 135 -9.899 -5.373 9.322 1071 HG21 ILE 135 1HG2 ILE 135 -8.062 -5.116 5.597 1072 HG22 ILE 135 2HG2 ILE 135 -7.902 -3.900 6.863 1073 HG23 ILE 135 3HG2 ILE 135 -6.832 -5.301 6.846 1074 HD11 ILE 135 3HD1 ILE 135 -6.897 -5.255 9.347 1075 HD12 ILE 135 1HD1 ILE 135 -7.914 -4.780 10.707 1076 HD13 ILE 135 2HD1 ILE 135 -7.938 -6.445 10.126 1077 H ALA 136 H ALA 136 -9.867 -4.513 4.646 1078 HA ALA 136 HA ALA 136 -11.774 -2.427 5.166 1079 HB1 ALA 136 1HB ALA 136 -10.300 -1.198 6.364 1080 HB2 ALA 136 2HB ALA 136 -8.893 -1.984 5.647 1081 HB3 ALA 136 3HB ALA 136 -9.748 -0.724 4.757 1082 H SER 137 H SER 137 -11.830 -0.824 3.367 1083 HA SER 137 HA SER 137 -10.418 -1.139 0.974 1084 HB2 SER 137 1HB SER 137 -12.261 -2.207 -0.397 1085 HB3 SER 137 2HB SER 137 -11.414 -3.296 0.701 1086 HG SER 137 HG SER 137 -13.537 -3.694 1.037 1087 H GLU 138 H GLU 138 -11.058 0.341 -0.607 1088 HA GLU 138 HA GLU 138 -13.506 1.691 -0.697 1089 HB2 GLU 138 1HB GLU 138 -13.027 2.687 1.405 1090 HB3 GLU 138 2HB GLU 138 -11.361 3.020 0.951 1091 HG2 GLU 138 1HG GLU 138 -12.071 4.708 -0.608 1092 HG3 GLU 138 2HG GLU 138 -13.764 4.316 -0.314 1093 H GLU 139 H GLU 139 -13.649 2.893 -2.527 1094 HA GLU 139 HA GLU 139 -11.394 2.836 -4.317 1095 HB2 GLU 139 1HB GLU 139 -14.271 3.208 -4.526 1096 HB3 GLU 139 2HB GLU 139 -13.388 4.352 -5.528 1097 HG2 GLU 139 1HG GLU 139 -13.035 2.791 -7.047 1098 HG3 GLU 139 2HG GLU 139 -12.223 1.778 -5.854 1099 H ILE 140 H ILE 140 -10.169 4.519 -5.019 1100 HA ILE 140 HA ILE 140 -10.817 7.218 -4.078 1101 HB ILE 140 HB ILE 140 -8.064 6.018 -3.775 1102 HG12 ILE 140 1HG1 ILE 140 -10.104 6.642 -1.629 1103 HG13 ILE 140 2HG1 ILE 140 -9.708 5.024 -2.200 1104 HG21 ILE 140 1HG2 ILE 140 -9.241 8.667 -2.952 1105 HG22 ILE 140 2HG2 ILE 140 -7.660 8.079 -2.441 1106 HG23 ILE 140 3HG2 ILE 140 -7.977 8.386 -4.149 1107 HD11 ILE 140 3HD1 ILE 140 -8.184 6.848 -0.443 1108 HD12 ILE 140 1HD1 ILE 140 -8.378 5.097 -0.373 1109 HD13 ILE 140 2HD1 ILE 140 -7.264 5.815 -1.537 1110 H THR 141 H THR 141 -10.740 8.584 -5.723 1111 HA THR 141 HA THR 141 -9.438 7.823 -8.197 1112 HB THR 141 HB THR 141 -10.571 10.530 -8.043 1113 HG1 THR 141 1HG THR 141 -12.761 9.368 -8.148 1114 HG21 THR 141 3HG2 THR 141 -11.067 8.142 -9.825 1115 HG22 THR 141 1HG2 THR 141 -9.978 9.488 -10.158 1116 HG23 THR 141 2HG2 THR 141 -11.719 9.759 -10.088 1117 H ILE 142 H ILE 142 -7.275 8.067 -8.156 1118 HA ILE 142 HA ILE 142 -6.137 10.518 -7.023 1119 HB ILE 142 HB ILE 142 -4.647 8.096 -8.030 1120 HG12 ILE 142 1HG1 ILE 142 -5.425 8.766 -5.185 1121 HG13 ILE 142 2HG1 ILE 142 -6.203 7.533 -6.171 1122 HG21 ILE 142 1HG2 ILE 142 -3.816 10.674 -7.218 1123 HG22 ILE 142 2HG2 ILE 142 -3.318 9.537 -5.967 1124 HG23 ILE 142 3HG2 ILE 142 -2.815 9.284 -7.638 1125 HD11 ILE 142 3HD1 ILE 142 -4.122 7.127 -4.453 1126 HD12 ILE 142 1HD1 ILE 142 -4.594 6.050 -5.768 1127 HD13 ILE 142 2HD1 ILE 142 -3.311 7.235 -6.015 1128 H THR 143 H THR 143 -5.444 12.120 -8.274 1129 HA THR 143 HA THR 143 -4.407 11.631 -10.927 1130 HB THR 143 HB THR 143 -6.047 13.554 -11.746 1131 HG1 THR 143 1HG THR 143 -7.809 12.108 -10.077 1132 HG21 THR 143 3HG2 THR 143 -7.025 10.707 -11.571 1133 HG22 THR 143 1HG2 THR 143 -5.744 11.227 -12.665 1134 HG23 THR 143 2HG2 THR 143 -7.369 11.892 -12.831 Start of MODEL 15 1 H1 MET 1 H MET 1 -25.557 -9.248 18.037 2 HA MET 1 HA MET 1 -24.031 -9.125 15.560 3 HB2 MET 1 1HB MET 1 -26.289 -7.288 16.263 4 HB3 MET 1 2HB MET 1 -24.918 -6.666 15.355 5 HG2 MET 1 1HG MET 1 -25.709 -9.090 14.138 6 HG3 MET 1 2HG MET 1 -27.163 -8.135 14.424 7 HE1 MET 1 3HE MET 1 -23.537 -6.833 13.839 8 HE2 MET 1 1HE MET 1 -23.597 -8.171 12.691 9 HE3 MET 1 2HE MET 1 -23.520 -6.510 12.105 10 H ASP 2 H ASP 2 -22.179 -9.216 16.835 11 HA ASP 2 HA ASP 2 -21.687 -7.593 19.083 12 HB2 ASP 2 1HB ASP 2 -19.260 -8.141 18.606 13 HB3 ASP 2 2HB ASP 2 -20.331 -9.527 18.790 14 H GLU 3 H GLU 3 -19.790 -5.999 19.120 15 HA GLU 3 HA GLU 3 -20.182 -4.084 16.920 16 HB2 GLU 3 1HB GLU 3 -19.469 -2.354 18.548 17 HB3 GLU 3 2HB GLU 3 -20.925 -3.205 19.044 18 HG2 GLU 3 1HG GLU 3 -18.470 -4.409 20.057 19 HG3 GLU 3 2HG GLU 3 -18.731 -2.754 20.605 20 H VAL 4 H VAL 4 -18.407 -6.076 16.395 21 HA VAL 4 HA VAL 4 -15.855 -4.624 16.416 22 HB VAL 4 HB VAL 4 -15.891 -7.611 16.724 23 HG11 VAL 4 1HG1 VAL 4 -13.868 -5.432 17.187 24 HG12 VAL 4 2HG1 VAL 4 -13.644 -7.088 17.754 25 HG13 VAL 4 3HG1 VAL 4 -13.796 -6.759 16.028 26 HG21 VAL 4 3HG2 VAL 4 -16.265 -5.537 18.837 27 HG22 VAL 4 1HG2 VAL 4 -17.007 -7.129 18.678 28 HG23 VAL 4 2HG2 VAL 4 -15.329 -6.986 19.202 29 H LEU 5 H LEU 5 -14.350 -5.375 14.735 30 HA LEU 5 HA LEU 5 -15.814 -6.017 12.298 31 HB2 LEU 5 1HB LEU 5 -12.955 -5.151 12.704 32 HB3 LEU 5 2HB LEU 5 -13.749 -5.363 11.145 33 HG LEU 5 HG LEU 5 -15.295 -3.540 12.689 34 HD11 LEU 5 1HD1 LEU 5 -13.689 -2.671 14.012 35 HD12 LEU 5 2HD1 LEU 5 -13.256 -1.796 12.543 36 HD13 LEU 5 3HD1 LEU 5 -12.376 -3.257 12.991 37 HD21 LEU 5 3HD2 LEU 5 -13.581 -2.538 10.512 38 HD22 LEU 5 1HD2 LEU 5 -15.325 -2.408 10.740 39 HD23 LEU 5 2HD2 LEU 5 -14.628 -3.898 10.103 40 H ALA 6 H ALA 6 -15.971 -8.062 11.685 41 HA ALA 6 HA ALA 6 -15.430 -10.215 11.172 42 HB1 ALA 6 1HB ALA 6 -12.699 -10.490 11.606 43 HB2 ALA 6 2HB ALA 6 -13.497 -10.123 10.076 44 HB3 ALA 6 3HB ALA 6 -12.904 -8.814 11.097 45 H THR 7 H THR 7 -12.839 -9.701 13.531 46 HA THR 7 HA THR 7 -14.283 -10.959 15.671 47 HB THR 7 HB THR 7 -12.362 -12.764 15.817 48 HG1 THR 7 1HG THR 7 -11.489 -13.308 13.907 49 HG21 THR 7 3HG2 THR 7 -14.520 -13.293 13.803 50 HG22 THR 7 1HG2 THR 7 -14.915 -13.012 15.498 51 HG23 THR 7 2HG2 THR 7 -13.875 -14.364 15.047 52 H SER 8 H SER 8 -13.065 -8.489 15.510 53 HA SER 8 HA SER 8 -11.653 -7.103 16.633 54 HB2 SER 8 1HB SER 8 -12.314 -9.177 18.422 55 HB3 SER 8 2HB SER 8 -10.578 -8.923 18.597 56 HG SER 8 HG SER 8 -10.939 -7.029 19.456 57 H ILE 9 H ILE 9 -10.044 -6.706 15.200 58 HA ILE 9 HA ILE 9 -7.578 -8.251 15.550 59 HB ILE 9 HB ILE 9 -8.571 -7.417 12.826 60 HG12 ILE 9 1HG1 ILE 9 -8.543 -10.136 12.768 61 HG13 ILE 9 2HG1 ILE 9 -9.068 -9.850 14.424 62 HG21 ILE 9 1HG2 ILE 9 -6.219 -7.523 12.815 63 HG22 ILE 9 2HG2 ILE 9 -6.201 -8.984 13.801 64 HG23 ILE 9 3HG2 ILE 9 -6.760 -9.056 12.130 65 HD11 ILE 9 3HD1 ILE 9 -10.384 -8.582 12.042 66 HD12 ILE 9 1HD1 ILE 9 -10.892 -10.124 12.729 67 HD13 ILE 9 2HD1 ILE 9 -10.975 -8.655 13.702 68 H GLY 10 H GLY 10 -8.672 -5.574 13.456 69 HA2 GLY 10 1HA GLY 10 -6.780 -3.801 14.839 70 HA3 GLY 10 2HA GLY 10 -6.644 -3.993 13.097 71 H THR 11 H THR 11 -7.074 -1.826 12.678 72 HA THR 11 HA THR 11 -9.775 -1.148 12.279 73 HB THR 11 HB THR 11 -9.275 1.003 13.940 74 HG1 THR 11 1HG THR 11 -8.691 0.047 15.935 75 HG21 THR 11 3HG2 THR 11 -11.077 -1.285 13.833 76 HG22 THR 11 1HG2 THR 11 -11.418 0.404 14.203 77 HG23 THR 11 2HG2 THR 11 -10.838 -0.676 15.470 78 H TYR 12 H TYR 12 -9.978 0.562 10.893 79 HA TYR 12 HA TYR 12 -7.505 2.030 10.247 80 HB2 TYR 12 1HB TYR 12 -8.040 0.425 8.482 81 HB3 TYR 12 2HB TYR 12 -9.664 1.090 8.346 82 HD1 TYR 12 1HD TYR 12 -10.013 3.318 7.356 83 HD2 TYR 12 2HD TYR 12 -6.156 1.527 7.484 84 HE1 TYR 12 1HE TYR 12 -9.217 4.927 5.674 85 HE2 TYR 12 2HE TYR 12 -5.348 3.132 5.804 86 HH TYR 12 HH TYR 12 -7.535 5.486 4.312 87 H GLU 13 H GLU 13 -7.696 4.085 10.819 88 HA GLU 13 HA GLU 13 -9.707 5.782 9.822 89 HB2 GLU 13 1HB GLU 13 -10.888 6.367 11.869 90 HB3 GLU 13 2HB GLU 13 -11.096 4.658 11.513 91 HG2 GLU 13 1HG GLU 13 -9.347 4.126 13.158 92 HG3 GLU 13 2HG GLU 13 -9.216 5.841 13.544 93 H ASN 14 H ASN 14 -9.607 7.997 10.967 94 HA ASN 14 HA ASN 14 -8.346 9.824 11.463 95 HB2 ASN 14 1HB ASN 14 -6.602 8.003 13.116 96 HB3 ASN 14 2HB ASN 14 -6.963 9.706 13.384 97 HD21 ASN 14 1HD2 ASN 14 -7.273 7.387 15.145 98 HD22 ASN 14 2HD2 ASN 14 -8.937 7.371 15.612 99 H ARG 15 H ARG 15 -7.576 8.047 9.207 100 HA ARG 15 HA ARG 15 -5.983 7.984 7.584 101 HB2 ARG 15 1HB ARG 15 -5.962 10.482 8.140 102 HB3 ARG 15 2HB ARG 15 -4.514 10.147 9.081 103 HG2 ARG 15 1HG ARG 15 -3.951 10.974 6.870 104 HG3 ARG 15 2HG ARG 15 -3.399 9.311 7.080 105 HD2 ARG 15 1HD ARG 15 -4.557 8.684 5.293 106 HD3 ARG 15 2HD ARG 15 -6.047 9.257 6.043 107 HE ARG 15 HE ARG 15 -4.841 11.506 5.046 108 HH11 ARG 15 1HH1 ARG 15 -5.918 8.466 3.734 109 HH12 ARG 15 2HH1 ARG 15 -6.274 9.119 2.169 110 HH21 ARG 15 1HH2 ARG 15 -5.306 12.377 2.989 111 HH22 ARG 15 2HH2 ARG 15 -5.925 11.343 1.746 112 H THR 16 H THR 16 -5.758 6.169 9.688 113 HA THR 16 HA THR 16 -3.010 5.400 9.414 114 HB THR 16 HB THR 16 -4.019 6.152 12.163 115 HG1 THR 16 1HG THR 16 -2.173 7.559 12.066 116 HG21 THR 16 3HG2 THR 16 -1.715 5.438 12.878 117 HG22 THR 16 1HG2 THR 16 -1.530 4.689 11.293 118 HG23 THR 16 2HG2 THR 16 -2.785 4.123 12.395 119 H LEU 17 H LEU 17 -2.677 3.231 9.845 120 HA LEU 17 HA LEU 17 -5.115 1.698 10.437 121 HB2 LEU 17 1HB LEU 17 -4.017 1.359 8.230 122 HB3 LEU 17 2HB LEU 17 -2.593 0.761 9.079 123 HG LEU 17 HG LEU 17 -3.833 -1.146 9.897 124 HD11 LEU 17 1HD1 LEU 17 -6.023 -0.967 10.199 125 HD12 LEU 17 2HD1 LEU 17 -6.220 -1.114 8.453 126 HD13 LEU 17 3HD1 LEU 17 -6.102 0.481 9.195 127 HD21 LEU 17 3HD2 LEU 17 -4.352 -2.238 7.734 128 HD22 LEU 17 1HD2 LEU 17 -2.795 -1.408 7.743 129 HD23 LEU 17 2HD2 LEU 17 -4.183 -0.672 6.940 130 H LEU 18 H LEU 18 -4.803 -0.370 11.598 131 HA LEU 18 HA LEU 18 -2.474 -0.476 13.350 132 HB2 LEU 18 1HB LEU 18 -4.803 0.721 14.211 133 HB3 LEU 18 2HB LEU 18 -4.946 -0.925 14.825 134 HG LEU 18 HG LEU 18 -2.771 1.072 15.432 135 HD11 LEU 18 1HD1 LEU 18 -5.030 -0.140 16.986 136 HD12 LEU 18 2HD1 LEU 18 -4.613 1.561 16.777 137 HD13 LEU 18 3HD1 LEU 18 -3.607 0.525 17.790 138 HD21 LEU 18 3HD2 LEU 18 -1.591 -0.931 15.325 139 HD22 LEU 18 1HD2 LEU 18 -2.946 -1.876 15.944 140 HD23 LEU 18 2HD2 LEU 18 -2.044 -0.815 17.026 141 H VAL 19 H VAL 19 -1.840 -2.510 13.752 142 HA VAL 19 HA VAL 19 -3.692 -4.717 13.762 143 HB VAL 19 HB VAL 19 -2.154 -5.912 11.997 144 HG11 VAL 19 1HG1 VAL 19 -3.942 -5.838 10.626 145 HG12 VAL 19 2HG1 VAL 19 -4.690 -4.987 11.980 146 HG13 VAL 19 3HG1 VAL 19 -4.007 -4.076 10.632 147 HG21 VAL 19 3HG2 VAL 19 -1.422 -4.430 10.207 148 HG22 VAL 19 1HG2 VAL 19 -1.958 -3.028 11.134 149 HG23 VAL 19 2HG2 VAL 19 -0.622 -4.016 11.723 150 HA PRO 20 HA PRO 20 -0.682 -6.502 16.410 151 HB2 PRO 20 1HB PRO 20 -0.976 -9.152 15.896 152 HB3 PRO 20 2HB PRO 20 -2.175 -8.207 16.787 153 HG2 PRO 20 1HG PRO 20 -2.168 -9.026 13.907 154 HG3 PRO 20 2HG PRO 20 -3.507 -9.037 15.070 155 HD2 PRO 20 1HD PRO 20 -3.196 -7.080 13.225 156 HD3 PRO 20 2HD PRO 20 -3.904 -6.780 14.825 157 H ASP 21 H ASP 21 -0.474 -6.985 13.006 158 HA ASP 21 HA ASP 21 2.069 -8.359 13.090 159 HB2 ASP 21 1HB ASP 21 0.129 -7.561 11.010 160 HB3 ASP 21 2HB ASP 21 1.817 -7.561 10.505 161 H GLY 22 H GLY 22 0.887 -5.122 12.234 162 HA2 GLY 22 1HA GLY 22 3.461 -3.997 12.954 163 HA3 GLY 22 2HA GLY 22 3.042 -3.849 11.254 164 H ARG 23 H ARG 23 3.228 -1.523 11.767 165 HA ARG 23 HA ARG 23 0.615 -0.493 12.604 166 HB2 ARG 23 1HB ARG 23 2.683 -0.349 14.327 167 HB3 ARG 23 2HB ARG 23 2.965 1.123 13.408 168 HG2 ARG 23 1HG ARG 23 0.226 1.099 13.994 169 HG3 ARG 23 2HG ARG 23 1.051 0.608 15.475 170 HD2 ARG 23 1HD ARG 23 0.733 3.056 15.301 171 HD3 ARG 23 2HD ARG 23 2.427 2.581 15.421 172 HE ARG 23 HE ARG 23 1.750 2.797 12.712 173 HH11 ARG 23 1HH1 ARG 23 2.160 4.810 15.523 174 HH12 ARG 23 2HH1 ARG 23 2.627 6.209 14.614 175 HH21 ARG 23 1HH2 ARG 23 2.363 4.632 11.504 176 HH22 ARG 23 2HH2 ARG 23 2.741 6.107 12.328 177 H LEU 24 H LEU 24 0.113 -0.065 10.456 178 HA LEU 24 HA LEU 24 1.886 1.627 8.893 179 HB2 LEU 24 1HB LEU 24 0.612 -0.322 7.938 180 HB3 LEU 24 2HB LEU 24 -0.857 0.627 8.156 181 HG LEU 24 HG LEU 24 0.787 2.308 6.704 182 HD11 LEU 24 1HD1 LEU 24 0.926 -0.287 5.252 183 HD12 LEU 24 2HD1 LEU 24 2.163 0.089 6.452 184 HD13 LEU 24 3HD1 LEU 24 1.915 1.163 5.075 185 HD21 LEU 24 3HD2 LEU 24 -1.503 2.199 6.232 186 HD22 LEU 24 1HD2 LEU 24 -1.457 0.457 5.963 187 HD23 LEU 24 2HD2 LEU 24 -0.727 1.550 4.787 188 H ALA 25 H ALA 25 1.261 3.653 8.023 189 HA ALA 25 HA ALA 25 -1.145 4.944 8.946 190 HB1 ALA 25 1HB ALA 25 0.448 5.111 10.882 191 HB2 ALA 25 2HB ALA 25 1.475 6.114 9.856 192 HB3 ALA 25 3HB ALA 25 -0.154 6.651 10.267 193 H LEU 26 H LEU 26 -1.809 5.921 7.155 194 HA LEU 26 HA LEU 26 -0.283 6.496 4.915 195 HB2 LEU 26 1HB LEU 26 -2.771 7.947 5.801 196 HB3 LEU 26 2HB LEU 26 -2.138 7.858 4.159 197 HG LEU 26 HG LEU 26 -3.754 6.285 3.975 198 HD11 LEU 26 1HD1 LEU 26 -2.832 4.157 3.961 199 HD12 LEU 26 2HD1 LEU 26 -1.876 4.451 5.414 200 HD13 LEU 26 3HD1 LEU 26 -1.413 5.202 3.887 201 HD21 LEU 26 3HD2 LEU 26 -3.685 6.394 6.867 202 HD22 LEU 26 1HD2 LEU 26 -3.935 4.750 6.278 203 HD23 LEU 26 2HD2 LEU 26 -5.030 6.040 5.781 204 H THR 27 H THR 27 1.143 8.025 4.423 205 HA THR 27 HA THR 27 1.445 10.293 6.262 206 HB THR 27 HB THR 27 3.699 10.553 5.348 207 HG1 THR 27 1HG THR 27 4.374 8.700 3.926 208 HG21 THR 27 3HG2 THR 27 4.641 8.345 6.085 209 HG22 THR 27 1HG2 THR 27 2.985 7.755 6.223 210 HG23 THR 27 2HG2 THR 27 3.532 9.092 7.235 211 H ALA 28 H ALA 28 1.321 9.513 2.802 212 HA ALA 28 HA ALA 28 -0.181 11.764 2.100 213 HB1 ALA 28 1HB ALA 28 1.604 13.027 0.845 214 HB2 ALA 28 2HB ALA 28 1.671 13.151 2.603 215 HB3 ALA 28 3HB ALA 28 2.789 12.087 1.751 216 H LEU 29 H LEU 29 0.105 12.216 -0.397 217 HA LEU 29 HA LEU 29 0.798 9.750 -1.813 218 HB2 LEU 29 1HB LEU 29 -1.840 11.177 -2.116 219 HB3 LEU 29 2HB LEU 29 -1.300 9.787 -3.055 220 HG LEU 29 HG LEU 29 -1.585 9.599 -0.078 221 HD11 LEU 29 1HD1 LEU 29 -3.711 10.453 -0.793 222 HD12 LEU 29 2HD1 LEU 29 -3.875 8.729 -0.463 223 HD13 LEU 29 3HD1 LEU 29 -3.774 9.302 -2.128 224 HD21 LEU 29 3HD2 LEU 29 -0.956 7.833 -2.264 225 HD22 LEU 29 1HD2 LEU 29 -2.376 7.264 -1.387 226 HD23 LEU 29 2HD2 LEU 29 -0.864 7.547 -0.525 227 H HIS 30 H HIS 30 2.393 10.524 -3.066 228 HA HIS 30 HA HIS 30 1.947 13.040 -4.516 229 HB2 HIS 30 1HB HIS 30 4.429 11.534 -3.735 230 HB3 HIS 30 2HB HIS 30 4.470 12.734 -5.024 231 HD1 HIS 30 1HD HIS 30 3.255 15.142 -4.121 232 HD2 HIS 30 2HD HIS 30 5.103 12.634 -1.373 233 HE1 HIS 30 1HE HIS 30 3.751 16.585 -2.123 234 H LYS 31 H LYS 31 2.323 13.166 -6.756 235 HA LYS 31 HA LYS 31 2.118 10.575 -8.141 236 HB2 LYS 31 1HB LYS 31 0.742 13.148 -8.473 237 HB3 LYS 31 2HB LYS 31 1.318 12.447 -9.980 238 HG2 LYS 31 1HG LYS 31 0.168 10.297 -9.195 239 HG3 LYS 31 2HG LYS 31 -0.656 11.329 -8.024 240 HD2 LYS 31 1HD LYS 31 -2.098 11.196 -9.888 241 HD3 LYS 31 2HD LYS 31 -1.329 12.782 -9.993 242 HE2 LYS 31 1HE LYS 31 0.268 10.836 -11.362 243 HE3 LYS 31 2HE LYS 31 -1.394 10.752 -11.943 244 HZ1 LYS 31 3HZ LYS 31 -1.121 12.634 -13.055 245 HZ2 LYS 31 1HZ LYS 31 0.525 12.590 -12.668 246 HZ3 LYS 31 2HZ LYS 31 -0.552 13.448 -11.686 247 H GLY 32 H GLY 32 3.047 10.522 -10.354 248 HA2 GLY 32 1HA GLY 32 5.083 12.450 -11.020 249 HA3 GLY 32 2HA GLY 32 5.734 10.924 -10.442 250 H LYS 33 H LYS 33 6.702 10.471 -12.434 251 HA LYS 33 HA LYS 33 4.805 9.567 -14.490 252 HB2 LYS 33 1HB LYS 33 7.051 11.469 -14.759 253 HB3 LYS 33 2HB LYS 33 6.949 10.234 -16.008 254 HG2 LYS 33 1HG LYS 33 4.523 10.925 -16.284 255 HG3 LYS 33 2HG LYS 33 4.924 12.329 -15.292 256 HD2 LYS 33 1HD LYS 33 6.657 11.691 -17.629 257 HD3 LYS 33 2HD LYS 33 5.077 12.420 -17.924 258 HE2 LYS 33 1HE LYS 33 6.389 13.792 -15.779 259 HE3 LYS 33 2HE LYS 33 7.469 13.702 -17.170 260 HZ1 LYS 33 3HZ LYS 33 6.128 15.011 -18.414 261 HZ2 LYS 33 1HZ LYS 33 5.672 15.604 -16.896 262 HZ3 LYS 33 2HZ LYS 33 4.702 14.466 -17.686 263 H ASP 34 H ASP 34 5.418 7.734 -15.659 264 HA ASP 34 HA ASP 34 7.697 6.258 -14.514 265 HB2 ASP 34 1HB ASP 34 6.503 4.249 -14.695 266 HB3 ASP 34 2HB ASP 34 5.293 5.400 -14.135 267 H TYR 35 H TYR 35 7.533 4.138 -16.434 268 HA TYR 35 HA TYR 35 9.327 5.001 -18.355 269 HB2 TYR 35 1HB TYR 35 8.562 2.901 -19.625 270 HB3 TYR 35 2HB TYR 35 9.212 2.679 -18.004 271 HD1 TYR 35 2HD TYR 35 6.070 2.839 -19.959 272 HD2 TYR 35 1HD TYR 35 7.905 1.705 -16.292 273 HE1 TYR 35 2HE TYR 35 4.018 1.650 -19.307 274 HE2 TYR 35 1HE TYR 35 5.858 0.512 -15.630 275 HH TYR 35 HH TYR 35 3.829 -0.604 -17.079 276 H GLN 36 H GLN 36 5.823 4.980 -18.422 277 HA GLN 36 HA GLN 36 5.808 5.915 -21.192 278 HB2 GLN 36 1HB GLN 36 3.778 4.756 -19.348 279 HB3 GLN 36 2HB GLN 36 3.211 5.848 -20.605 280 HG2 GLN 36 1HG GLN 36 4.933 4.122 -21.923 281 HG3 GLN 36 2HG GLN 36 4.057 3.094 -20.789 282 HE21 GLN 36 1HE2 GLN 36 1.667 3.391 -20.780 283 HE22 GLN 36 2HE2 GLN 36 0.889 3.643 -22.301 284 H GLY 37 H GLY 37 6.686 7.492 -18.757 285 HA2 GLY 37 1HA GLY 37 6.248 9.544 -17.743 286 HA3 GLY 37 2HA GLY 37 6.180 10.021 -19.433 287 H LYS 38 H LYS 38 3.951 8.144 -17.388 288 HA LYS 38 HA LYS 38 2.006 10.230 -17.281 289 HB2 LYS 38 1HB LYS 38 1.921 8.330 -19.499 290 HB3 LYS 38 2HB LYS 38 0.431 8.355 -18.565 291 HG2 LYS 38 1HG LYS 38 -0.056 10.519 -19.136 292 HG3 LYS 38 2HG LYS 38 1.635 10.941 -19.415 293 HD2 LYS 38 1HD LYS 38 0.017 9.102 -21.176 294 HD3 LYS 38 2HD LYS 38 0.280 10.818 -21.495 295 HE2 LYS 38 1HE LYS 38 2.802 10.169 -21.246 296 HE3 LYS 38 2HE LYS 38 2.214 8.544 -21.594 297 HZ1 LYS 38 3HZ LYS 38 2.863 10.415 -23.444 298 HZ2 LYS 38 1HZ LYS 38 1.176 10.530 -23.387 299 HZ3 LYS 38 2HZ LYS 38 1.911 9.046 -23.729 300 HA PRO 39 HA PRO 39 0.069 6.321 -15.276 301 HB2 PRO 39 1HB PRO 39 1.191 3.907 -15.806 302 HB3 PRO 39 2HB PRO 39 -0.073 4.621 -16.814 303 HG2 PRO 39 1HG PRO 39 2.890 4.580 -17.239 304 HG3 PRO 39 2HG PRO 39 1.588 4.305 -18.411 305 HD2 PRO 39 1HD PRO 39 2.901 6.665 -18.219 306 HD3 PRO 39 2HD PRO 39 1.192 6.559 -18.689 307 H MET 40 H MET 40 1.102 7.355 -13.486 308 HA MET 40 HA MET 40 2.925 5.609 -12.089 309 HB2 MET 40 1HB MET 40 4.391 7.108 -13.488 310 HB3 MET 40 2HB MET 40 3.771 8.469 -12.562 311 HG2 MET 40 1HG MET 40 5.908 7.793 -11.694 312 HG3 MET 40 2HG MET 40 4.649 7.453 -10.510 313 HE1 MET 40 3HE MET 40 5.240 6.051 -9.121 314 HE2 MET 40 1HE MET 40 4.612 4.442 -9.478 315 HE3 MET 40 2HE MET 40 6.347 4.687 -9.278 316 H PHE 41 H PHE 41 3.180 6.196 -9.835 317 HA PHE 41 HA PHE 41 1.880 8.377 -8.632 318 HB2 PHE 41 1HB PHE 41 -0.247 7.596 -9.043 319 HB3 PHE 41 2HB PHE 41 0.255 5.909 -9.032 320 HD1 PHE 41 2HD PHE 41 -0.614 8.795 -6.925 321 HD2 PHE 41 1HD PHE 41 0.238 4.627 -7.031 322 HE1 PHE 41 2HE PHE 41 -1.435 8.573 -4.617 323 HE2 PHE 41 1HE PHE 41 -0.583 4.397 -4.723 324 HZ PHE 41 HZ PHE 41 -1.419 6.372 -3.512 325 H TYR 42 H TYR 42 2.176 8.434 -6.393 326 HA TYR 42 HA TYR 42 3.640 6.154 -5.240 327 HB2 TYR 42 1HB TYR 42 4.298 9.082 -4.856 328 HB3 TYR 42 2HB TYR 42 5.111 7.736 -4.066 329 HD1 TYR 42 2HD TYR 42 6.047 5.907 -5.775 330 HD2 TYR 42 1HD TYR 42 5.302 9.987 -6.724 331 HE1 TYR 42 2HE TYR 42 7.627 5.753 -7.653 332 HE2 TYR 42 1HE TYR 42 6.879 9.844 -8.605 333 HH TYR 42 HH TYR 42 7.876 8.182 -10.049 334 H VAL 43 H VAL 43 2.843 5.445 -3.374 335 HA VAL 43 HA VAL 43 0.876 7.127 -1.974 336 HB VAL 43 HB VAL 43 -0.093 5.054 -2.702 337 HG11 VAL 43 1HG1 VAL 43 1.140 3.225 -2.946 338 HG12 VAL 43 2HG1 VAL 43 2.486 4.001 -2.109 339 HG13 VAL 43 3HG1 VAL 43 1.281 3.094 -1.193 340 HG21 VAL 43 3HG2 VAL 43 0.116 4.108 -0.005 341 HG22 VAL 43 1HG2 VAL 43 0.033 5.870 -0.015 342 HG23 VAL 43 2HG2 VAL 43 -1.232 4.923 -0.798 343 H LEU 44 H LEU 44 2.571 8.287 -0.871 344 HA LEU 44 HA LEU 44 4.562 7.172 0.708 345 HB2 LEU 44 1HB LEU 44 3.012 9.675 1.344 346 HB3 LEU 44 2HB LEU 44 4.642 9.271 1.878 347 HG LEU 44 HG LEU 44 4.843 9.203 -0.873 348 HD11 LEU 44 1HD1 LEU 44 3.243 11.648 -0.160 349 HD12 LEU 44 2HD1 LEU 44 2.543 10.222 -0.925 350 HD13 LEU 44 3HD1 LEU 44 3.801 11.139 -1.753 351 HD21 LEU 44 3HD2 LEU 44 6.440 10.766 -0.524 352 HD22 LEU 44 1HD2 LEU 44 6.152 10.347 1.165 353 HD23 LEU 44 2HD2 LEU 44 5.391 11.778 0.469 354 H PHE 45 H PHE 45 4.688 6.423 2.779 355 HA PHE 45 HA PHE 45 2.414 6.562 4.556 356 HB2 PHE 45 1HB PHE 45 2.093 4.177 4.789 357 HB3 PHE 45 2HB PHE 45 1.901 4.610 3.093 358 HD1 PHE 45 1HD PHE 45 3.564 3.957 1.445 359 HD2 PHE 45 2HD PHE 45 3.935 2.827 5.531 360 HE1 PHE 45 1HE PHE 45 5.251 2.278 0.823 361 HE2 PHE 45 2HE PHE 45 5.623 1.146 4.917 362 HZ PHE 45 HZ PHE 45 6.284 0.870 2.560 363 H GLU 46 H GLU 46 2.918 5.313 6.638 364 HA GLU 46 HA GLU 46 5.807 5.321 7.180 365 HB2 GLU 46 1HB GLU 46 4.937 7.428 8.009 366 HB3 GLU 46 2HB GLU 46 3.655 6.594 8.876 367 HG2 GLU 46 1HG GLU 46 6.072 5.465 9.755 368 HG3 GLU 46 2HG GLU 46 6.311 7.211 9.726 369 H LEU 47 H LEU 47 5.451 2.988 6.890 370 HA LEU 47 HA LEU 47 3.885 1.606 8.885 371 HB2 LEU 47 1HB LEU 47 4.050 0.729 6.616 372 HB3 LEU 47 2HB LEU 47 5.796 0.570 6.795 373 HG LEU 47 HG LEU 47 4.318 -1.533 7.002 374 HD11 LEU 47 1HD1 LEU 47 6.765 -0.742 8.178 375 HD12 LEU 47 2HD1 LEU 47 6.232 -2.365 7.741 376 HD13 LEU 47 3HD1 LEU 47 5.903 -1.734 9.355 377 HD21 LEU 47 3HD2 LEU 47 3.155 -1.933 8.939 378 HD22 LEU 47 1HD2 LEU 47 2.868 -0.204 8.737 379 HD23 LEU 47 2HD2 LEU 47 4.093 -0.768 9.874 380 H THR 48 H THR 48 4.576 1.015 10.825 381 HA THR 48 HA THR 48 7.431 1.229 11.435 382 HB THR 48 HB THR 48 5.601 0.604 13.651 383 HG1 THR 48 1HG THR 48 5.363 3.049 12.201 384 HG21 THR 48 3HG2 THR 48 7.789 2.592 13.097 385 HG22 THR 48 1HG2 THR 48 7.798 1.233 14.221 386 HG23 THR 48 2HG2 THR 48 6.817 2.657 14.567 387 H ASN 49 H ASN 49 8.613 -0.558 11.368 388 HA ASN 49 HA ASN 49 7.475 -3.165 11.273 389 HB2 ASN 49 1HB ASN 49 9.626 -2.459 10.161 390 HB3 ASN 49 2HB ASN 49 10.375 -2.461 11.755 391 HD21 ASN 49 1HD2 ASN 49 11.745 -4.123 11.599 392 HD22 ASN 49 2HD2 ASN 49 11.286 -5.751 11.244 393 H THR 50 H THR 50 6.256 -3.126 13.272 394 HA THR 50 HA THR 50 7.365 -2.848 15.820 395 HB THR 50 HB THR 50 5.417 -3.989 16.678 396 HG1 THR 50 1HG THR 50 3.948 -4.918 15.007 397 HG21 THR 50 3HG2 THR 50 4.581 -2.454 14.219 398 HG22 THR 50 1HG2 THR 50 5.153 -1.699 15.706 399 HG23 THR 50 2HG2 THR 50 3.670 -2.654 15.716 400 H THR 51 H THR 51 7.673 -5.382 13.533 401 HA THR 51 HA THR 51 8.106 -7.591 15.201 402 HB THR 51 HB THR 51 9.165 -8.661 13.344 403 HG1 THR 51 1HG THR 51 9.602 -7.192 11.435 404 HG21 THR 51 3HG2 THR 51 7.100 -6.729 12.282 405 HG22 THR 51 1HG2 THR 51 6.754 -8.251 13.102 406 HG23 THR 51 2HG2 THR 51 7.572 -8.257 11.540 407 H GLU 52 H GLU 52 10.566 -8.629 14.692 408 HA GLU 52 HA GLU 52 12.478 -6.682 15.785 409 HB2 GLU 52 1HB GLU 52 11.916 -9.460 16.822 410 HB3 GLU 52 2HB GLU 52 13.367 -8.557 17.232 411 HG2 GLU 52 1HG GLU 52 11.541 -6.726 17.883 412 HG3 GLU 52 2HG GLU 52 10.580 -8.183 18.131 413 H LYS 53 H LYS 53 11.957 -8.025 13.122 414 HA LYS 53 HA LYS 53 14.598 -9.286 12.782 415 HB2 LYS 53 1HB LYS 53 12.094 -9.624 11.121 416 HB3 LYS 53 2HB LYS 53 13.646 -10.373 10.773 417 HG2 LYS 53 1HG LYS 53 13.112 -11.083 13.401 418 HG3 LYS 53 2HG LYS 53 11.555 -11.207 12.580 419 HD2 LYS 53 1HD LYS 53 12.785 -12.519 10.780 420 HD3 LYS 53 2HD LYS 53 14.133 -12.609 11.916 421 HE2 LYS 53 1HE LYS 53 12.786 -14.609 12.085 422 HE3 LYS 53 2HE LYS 53 12.637 -13.664 13.566 423 HZ1 LYS 53 3HZ LYS 53 10.519 -14.608 12.586 424 HZ2 LYS 53 1HZ LYS 53 10.670 -13.443 11.367 425 HZ3 LYS 53 2HZ LYS 53 10.499 -12.963 12.980 426 H THR 54 H THR 54 15.649 -8.905 10.681 427 HA THR 54 HA THR 54 15.216 -6.130 9.814 428 HB THR 54 HB THR 54 17.684 -7.686 9.130 429 HG1 THR 54 1HG THR 54 18.504 -6.668 11.177 430 HG21 THR 54 3HG2 THR 54 18.703 -5.439 9.296 431 HG22 THR 54 1HG2 THR 54 17.119 -4.773 9.691 432 HG23 THR 54 2HG2 THR 54 17.399 -5.504 8.111 433 H GLN 55 H GLN 55 13.785 -8.587 8.856 434 HA GLN 55 HA GLN 55 14.653 -9.318 6.296 435 HB2 GLN 55 1HB GLN 55 11.783 -9.165 7.222 436 HB3 GLN 55 2HB GLN 55 12.433 -10.186 5.947 437 HG2 GLN 55 1HG GLN 55 13.316 -11.691 7.403 438 HG3 GLN 55 2HG GLN 55 13.569 -10.488 8.667 439 HE21 GLN 55 1HE2 GLN 55 11.273 -9.446 9.250 440 HE22 GLN 55 2HE2 GLN 55 10.092 -10.625 9.698 441 H ASN 56 H ASN 56 12.779 -8.876 4.447 442 HA ASN 56 HA ASN 56 13.350 -6.272 3.531 443 HB2 ASN 56 1HB ASN 56 11.627 -8.523 2.612 444 HB3 ASN 56 2HB ASN 56 11.319 -6.928 1.931 445 HD21 ASN 56 1HD2 ASN 56 13.305 -5.785 1.122 446 HD22 ASN 56 2HD2 ASN 56 14.455 -6.740 0.256 447 H ILE 57 H ILE 57 11.261 -5.013 2.585 448 HA ILE 57 HA ILE 57 9.656 -4.367 4.964 449 HB ILE 57 HB ILE 57 9.917 -2.557 2.587 450 HG12 ILE 57 1HG1 ILE 57 11.834 -2.769 4.917 451 HG13 ILE 57 2HG1 ILE 57 12.205 -3.086 3.226 452 HG21 ILE 57 1HG2 ILE 57 8.670 -1.209 3.831 453 HG22 ILE 57 2HG2 ILE 57 8.581 -2.458 5.072 454 HG23 ILE 57 3HG2 ILE 57 9.870 -1.256 5.122 455 HD11 ILE 57 3HD1 ILE 57 12.953 -0.989 3.211 456 HD12 ILE 57 1HD1 ILE 57 11.250 -0.538 3.123 457 HD13 ILE 57 2HD1 ILE 57 12.077 -0.564 4.681 458 H GLN 58 H GLN 58 9.382 -4.418 1.407 459 HA GLN 58 HA GLN 58 6.664 -4.136 1.151 460 HB2 GLN 58 1HB GLN 58 8.754 -4.751 -0.548 461 HB3 GLN 58 2HB GLN 58 7.723 -6.171 -0.657 462 HG2 GLN 58 1HG GLN 58 5.807 -4.552 -1.069 463 HG3 GLN 58 2HG GLN 58 7.049 -3.325 -1.310 464 HE21 GLN 58 1HE2 GLN 58 6.703 -6.726 -2.265 465 HE22 GLN 58 2HE2 GLN 58 6.989 -6.460 -3.948 466 H LEU 59 H LEU 59 8.453 -6.921 2.227 467 HA LEU 59 HA LEU 59 6.632 -8.965 1.852 468 HB2 LEU 59 1HB LEU 59 8.996 -8.545 3.343 469 HB3 LEU 59 2HB LEU 59 7.806 -9.241 4.441 470 HG LEU 59 HG LEU 59 8.486 -10.483 1.785 471 HD11 LEU 59 1HD1 LEU 59 9.927 -12.028 3.055 472 HD12 LEU 59 2HD1 LEU 59 9.726 -11.011 4.481 473 HD13 LEU 59 3HD1 LEU 59 10.538 -10.373 3.052 474 HD21 LEU 59 3HD2 LEU 59 6.426 -11.287 2.623 475 HD22 LEU 59 1HD2 LEU 59 7.058 -11.410 4.265 476 HD23 LEU 59 2HD2 LEU 59 7.630 -12.516 3.016 477 H MET 60 H MET 60 6.611 -6.380 4.205 478 HA MET 60 HA MET 60 4.311 -7.550 5.580 479 HB2 MET 60 1HB MET 60 5.472 -4.899 6.321 480 HB3 MET 60 2HB MET 60 4.745 -6.126 7.350 481 HG2 MET 60 1HG MET 60 6.900 -7.470 6.477 482 HG3 MET 60 2HG MET 60 7.523 -5.822 6.430 483 HE1 MET 60 3HE MET 60 6.204 -4.331 8.314 484 HE2 MET 60 1HE MET 60 5.291 -5.201 9.548 485 HE3 MET 60 2HE MET 60 6.875 -4.527 9.933 486 H ILE 61 H ILE 61 5.232 -4.607 3.823 487 HA ILE 61 HA ILE 61 2.838 -3.220 3.983 488 HB ILE 61 HB ILE 61 4.660 -3.292 1.576 489 HG12 ILE 61 1HG1 ILE 61 5.966 -2.839 3.576 490 HG13 ILE 61 2HG1 ILE 61 5.788 -1.357 2.643 491 HG21 ILE 61 1HG2 ILE 61 2.399 -1.583 2.422 492 HG22 ILE 61 2HG2 ILE 61 3.785 -0.773 1.695 493 HG23 ILE 61 3HG2 ILE 61 2.937 -2.037 0.805 494 HD11 ILE 61 3HD1 ILE 61 5.531 -0.942 5.018 495 HD12 ILE 61 1HD1 ILE 61 4.028 -0.615 4.157 496 HD13 ILE 61 2HD1 ILE 61 4.205 -2.101 5.090 497 H GLN 62 H GLN 62 3.809 -5.755 1.718 498 HA GLN 62 HA GLN 62 1.533 -5.592 0.052 499 HB2 GLN 62 1HB GLN 62 3.594 -7.716 0.562 500 HB3 GLN 62 2HB GLN 62 2.213 -8.039 -0.478 501 HG2 GLN 62 1HG GLN 62 2.857 -6.182 -1.921 502 HG3 GLN 62 2HG GLN 62 4.235 -5.845 -0.875 503 HE21 GLN 62 1HE2 GLN 62 5.436 -8.093 -0.401 504 HE22 GLN 62 2HE2 GLN 62 5.903 -8.922 -1.843 505 H SER 63 H SER 63 2.026 -6.908 3.181 506 HA SER 63 HA SER 63 -0.442 -8.490 3.010 507 HB2 SER 63 1HB SER 63 0.409 -9.147 5.425 508 HB3 SER 63 2HB SER 63 1.116 -9.888 3.990 509 HG SER 63 HG SER 63 2.511 -8.840 5.758 510 H PHE 64 H PHE 64 0.431 -5.432 3.714 511 HA PHE 64 HA PHE 64 -1.493 -5.148 5.920 512 HB2 PHE 64 1HB PHE 64 0.839 -3.469 5.030 513 HB3 PHE 64 2HB PHE 64 -0.421 -2.801 6.061 514 HD1 PHE 64 1HD PHE 64 -1.026 -5.012 7.854 515 HD2 PHE 64 2HD PHE 64 2.721 -3.666 6.350 516 HE1 PHE 64 1HE PHE 64 0.099 -5.945 9.833 517 HE2 PHE 64 2HE PHE 64 3.852 -4.597 8.327 518 HZ PHE 64 HZ PHE 64 2.542 -5.739 10.071 519 H MET 65 H MET 65 -0.386 -3.026 3.280 520 HA MET 65 HA MET 65 -3.172 -2.211 2.866 521 HB2 MET 65 1HB MET 65 -2.104 -0.357 1.505 522 HB3 MET 65 2HB MET 65 -1.780 -0.330 3.233 523 HG2 MET 65 1HG MET 65 0.408 -1.305 2.864 524 HG3 MET 65 2HG MET 65 0.084 -1.416 1.136 525 HE1 MET 65 3HE MET 65 -0.199 0.171 -0.361 526 HE2 MET 65 1HE MET 65 -0.397 1.903 -0.098 527 HE3 MET 65 2HE MET 65 1.201 1.241 -0.439 528 H GLU 66 H GLU 66 -4.256 -3.114 1.254 529 HA GLU 66 HA GLU 66 -2.762 -4.289 -0.982 530 HB2 GLU 66 1HB GLU 66 -4.607 -5.716 -1.363 531 HB3 GLU 66 2HB GLU 66 -4.399 -5.673 0.382 532 HG2 GLU 66 1HG GLU 66 -6.164 -3.758 0.258 533 HG3 GLU 66 2HG GLU 66 -6.553 -4.488 -1.298 534 H VAL 67 H VAL 67 -3.176 -3.752 -3.096 535 HA VAL 67 HA VAL 67 -5.180 -1.680 -3.630 536 HB VAL 67 HB VAL 67 -2.323 -1.497 -4.596 537 HG11 VAL 67 1HG1 VAL 67 -4.069 -0.617 -6.135 538 HG12 VAL 67 2HG1 VAL 67 -4.570 0.496 -4.861 539 HG13 VAL 67 3HG1 VAL 67 -2.950 0.613 -5.550 540 HG21 VAL 67 3HG2 VAL 67 -1.953 -0.693 -2.530 541 HG22 VAL 67 1HG2 VAL 67 -2.774 0.749 -3.129 542 HG23 VAL 67 2HG2 VAL 67 -3.670 -0.457 -2.205 543 H SER 68 H SER 68 -6.462 -2.477 -5.150 544 HA SER 68 HA SER 68 -5.246 -3.837 -7.452 545 HB2 SER 68 1HB SER 68 -7.679 -5.109 -7.197 546 HB3 SER 68 2HB SER 68 -6.122 -5.776 -6.706 547 HG SER 68 HG SER 68 -8.056 -5.522 -5.134 548 H GLN 69 H GLN 69 -6.014 -3.203 -9.382 549 HA GLN 69 HA GLN 69 -8.303 -1.353 -9.378 550 HB2 GLN 69 1HB GLN 69 -5.757 -1.440 -10.924 551 HB3 GLN 69 2HB GLN 69 -7.184 -0.794 -11.724 552 HG2 GLN 69 1HG GLN 69 -7.443 0.876 -10.002 553 HG3 GLN 69 2HG GLN 69 -6.095 0.190 -9.097 554 HE21 GLN 69 1HE2 GLN 69 -7.053 2.238 -11.669 555 HE22 GLN 69 2HE2 GLN 69 -5.476 2.769 -12.134 556 H THR 70 H THR 70 -9.491 -1.292 -11.523 557 HA THR 70 HA THR 70 -10.419 -3.947 -12.100 558 HB THR 70 HB THR 70 -11.471 -2.066 -13.974 559 HG1 THR 70 1HG THR 70 -12.216 -0.473 -12.556 560 HG21 THR 70 3HG2 THR 70 -12.904 -3.764 -13.360 561 HG22 THR 70 1HG2 THR 70 -13.517 -2.438 -12.372 562 HG23 THR 70 2HG2 THR 70 -12.468 -3.661 -11.654 563 H VAL 71 H VAL 71 -10.343 -5.043 -14.066 564 HA VAL 71 HA VAL 71 -8.789 -3.939 -16.258 565 HB VAL 71 HB VAL 71 -7.923 -6.502 -14.911 566 HG11 VAL 71 1HG1 VAL 71 -6.658 -5.012 -17.208 567 HG12 VAL 71 2HG1 VAL 71 -6.138 -6.554 -16.523 568 HG13 VAL 71 3HG1 VAL 71 -7.675 -6.442 -17.381 569 HG21 VAL 71 3HG2 VAL 71 -6.605 -3.789 -14.992 570 HG22 VAL 71 1HG2 VAL 71 -7.277 -4.593 -13.573 571 HG23 VAL 71 2HG2 VAL 71 -5.856 -5.261 -14.375 572 H HIS 72 H HIS 72 -10.280 -4.219 -17.805 573 HA HIS 72 HA HIS 72 -11.589 -5.269 -19.344 574 HB2 HIS 72 1HB HIS 72 -9.695 -7.257 -18.528 575 HB3 HIS 72 2HB HIS 72 -11.260 -8.027 -18.771 576 HD1 HIS 72 1HD HIS 72 -11.818 -8.618 -21.114 577 HD2 HIS 72 2HD HIS 72 -8.862 -5.705 -20.904 578 HE1 HIS 72 1HE HIS 72 -11.068 -8.248 -23.486 579 H GLY 73 H GLY 73 -12.203 -5.070 -16.263 580 HA2 GLY 73 1HA GLY 73 -14.519 -5.052 -15.551 581 HA3 GLY 73 2HA GLY 73 -14.763 -6.517 -16.491 582 H LYS 74 H LYS 74 -11.821 -6.720 -14.959 583 HA LYS 74 HA LYS 74 -13.004 -8.116 -12.648 584 HB2 LYS 74 1HB LYS 74 -11.330 -9.822 -12.809 585 HB3 LYS 74 2HB LYS 74 -12.072 -9.651 -14.394 586 HG2 LYS 74 1HG LYS 74 -10.155 -9.030 -15.356 587 HG3 LYS 74 2HG LYS 74 -9.711 -7.974 -14.013 588 HD2 LYS 74 1HD LYS 74 -8.297 -9.501 -13.230 589 HD3 LYS 74 2HD LYS 74 -9.585 -10.707 -13.165 590 HE2 LYS 74 1HE LYS 74 -9.021 -11.615 -15.178 591 HE3 LYS 74 2HE LYS 74 -8.419 -10.088 -15.822 592 HZ1 LYS 74 3HZ LYS 74 -6.886 -11.163 -13.620 593 HZ2 LYS 74 1HZ LYS 74 -6.360 -10.500 -15.085 594 HZ3 LYS 74 2HZ LYS 74 -6.860 -12.114 -15.018 595 H ALA 75 H ALA 75 -11.132 -8.583 -10.982 596 HA ALA 75 HA ALA 75 -9.851 -5.989 -10.474 597 HB1 ALA 75 1HB ALA 75 -11.401 -6.739 -8.753 598 HB2 ALA 75 2HB ALA 75 -10.482 -8.233 -8.560 599 HB3 ALA 75 3HB ALA 75 -9.751 -6.687 -8.130 600 H GLN 76 H GLN 76 -7.762 -5.854 -10.929 601 HA GLN 76 HA GLN 76 -6.115 -8.287 -10.734 602 HB2 GLN 76 1HB GLN 76 -6.211 -7.404 -12.997 603 HB3 GLN 76 2HB GLN 76 -5.722 -5.814 -12.426 604 HG2 GLN 76 1HG GLN 76 -3.539 -6.522 -11.972 605 HG3 GLN 76 2HG GLN 76 -3.986 -8.225 -12.045 606 HE21 GLN 76 1HE2 GLN 76 -3.319 -5.352 -13.894 607 HE22 GLN 76 2HE2 GLN 76 -3.096 -6.140 -15.415 608 H ASN 77 H ASN 77 -4.399 -8.323 -9.402 609 HA ASN 77 HA ASN 77 -4.106 -6.284 -7.444 610 HB2 ASN 77 1HB ASN 77 -2.547 -7.694 -6.411 611 HB3 ASN 77 2HB ASN 77 -3.622 -8.817 -7.239 612 HD21 ASN 77 1HD2 ASN 77 -2.913 -9.493 -9.431 613 HD22 ASN 77 2HD2 ASN 77 -1.224 -9.764 -9.677 614 H LEU 78 H LEU 78 -2.813 -4.556 -7.396 615 HA LEU 78 HA LEU 78 -1.178 -3.971 -9.712 616 HB2 LEU 78 1HB LEU 78 -1.791 -2.369 -7.234 617 HB3 LEU 78 2HB LEU 78 -0.846 -1.779 -8.600 618 HG LEU 78 HG LEU 78 -3.773 -2.510 -8.612 619 HD11 LEU 78 1HD1 LEU 78 -2.735 -0.257 -7.647 620 HD12 LEU 78 2HD1 LEU 78 -4.252 -0.295 -8.544 621 HD13 LEU 78 3HD1 LEU 78 -2.758 0.169 -9.358 622 HD21 LEU 78 3HD2 LEU 78 -2.639 -3.123 -10.716 623 HD22 LEU 78 1HD2 LEU 78 -2.066 -1.462 -10.866 624 HD23 LEU 78 2HD2 LEU 78 -3.795 -1.806 -10.924 625 H GLN 79 H GLN 79 0.891 -4.504 -9.843 626 HA GLN 79 HA GLN 79 2.374 -5.106 -7.395 627 HB2 GLN 79 1HB GLN 79 3.297 -5.568 -10.227 628 HB3 GLN 79 2HB GLN 79 3.908 -6.314 -8.756 629 HG2 GLN 79 1HG GLN 79 1.250 -7.008 -8.742 630 HG3 GLN 79 2HG GLN 79 1.675 -7.075 -10.452 631 HE21 GLN 79 1HE2 GLN 79 3.096 -7.991 -7.328 632 HE22 GLN 79 2HE2 GLN 79 3.635 -9.551 -7.838 633 H TYR 80 H TYR 80 4.923 -4.663 -7.968 634 HA TYR 80 HA TYR 80 5.350 -1.985 -7.481 635 HB2 TYR 80 1HB TYR 80 7.035 -3.757 -7.120 636 HB3 TYR 80 2HB TYR 80 7.259 -3.884 -8.861 637 HD1 TYR 80 1HD TYR 80 7.327 -1.272 -6.184 638 HD2 TYR 80 2HD TYR 80 9.036 -2.746 -9.791 639 HE1 TYR 80 1HE TYR 80 9.041 0.489 -6.084 640 HE2 TYR 80 2HE TYR 80 10.756 -0.990 -9.700 641 HH TYR 80 HH TYR 80 11.438 0.867 -8.667 642 H ALA 81 H ALA 81 5.188 -0.210 -8.668 643 HA ALA 81 HA ALA 81 4.653 -0.372 -11.491 644 HB1 ALA 81 1HB ALA 81 3.756 1.672 -11.269 645 HB2 ALA 81 2HB ALA 81 3.879 1.353 -9.538 646 HB3 ALA 81 3HB ALA 81 5.133 2.287 -10.354 647 H VAL 82 H VAL 82 6.224 -0.575 -12.937 648 HA VAL 82 HA VAL 82 8.952 0.004 -12.388 649 HB VAL 82 HB VAL 82 7.576 -0.560 -15.018 650 HG11 VAL 82 1HG1 VAL 82 10.505 -0.424 -14.322 651 HG12 VAL 82 2HG1 VAL 82 9.868 -1.116 -15.815 652 HG13 VAL 82 3HG1 VAL 82 9.630 0.597 -15.463 653 HG21 VAL 82 3HG2 VAL 82 8.677 -2.805 -14.700 654 HG22 VAL 82 1HG2 VAL 82 9.028 -2.309 -13.044 655 HG23 VAL 82 2HG2 VAL 82 7.356 -2.444 -13.588 656 H LEU 83 H LEU 83 10.194 1.733 -12.901 657 HA LEU 83 HA LEU 83 9.133 3.844 -14.600 658 HB2 LEU 83 1HB LEU 83 9.756 5.552 -12.843 659 HB3 LEU 83 2HB LEU 83 8.283 4.626 -12.561 660 HG LEU 83 HG LEU 83 10.259 3.190 -11.237 661 HD11 LEU 83 1HD1 LEU 83 11.809 4.542 -10.379 662 HD12 LEU 83 2HD1 LEU 83 10.633 5.806 -10.025 663 HD13 LEU 83 3HD1 LEU 83 11.342 5.689 -11.635 664 HD21 LEU 83 3HD2 LEU 83 7.809 3.949 -10.685 665 HD22 LEU 83 1HD2 LEU 83 8.633 5.237 -9.805 666 HD23 LEU 83 2HD2 LEU 83 8.943 3.550 -9.393 667 H THR 84 H THR 84 10.707 4.200 -16.006 668 HA THR 84 HA THR 84 13.340 3.392 -15.810 669 HB THR 84 HB THR 84 12.555 3.971 -17.964 670 HG1 THR 84 1HG THR 84 14.761 4.558 -17.575 671 HG21 THR 84 3HG2 THR 84 12.324 6.850 -17.718 672 HG22 THR 84 1HG2 THR 84 11.182 6.012 -16.668 673 HG23 THR 84 2HG2 THR 84 11.190 5.685 -18.402 674 H ASP 85 H ASP 85 11.931 6.533 -14.975 675 HA ASP 85 HA ASP 85 14.043 7.030 -13.086 676 HB2 ASP 85 1HB ASP 85 14.698 7.831 -15.557 677 HB3 ASP 85 2HB ASP 85 13.770 9.241 -15.055 678 H SER 86 H SER 86 13.488 8.550 -11.549 679 HA SER 86 HA SER 86 11.318 10.368 -11.860 680 HB2 SER 86 1HB SER 86 10.803 7.703 -10.646 681 HB3 SER 86 2HB SER 86 10.093 9.100 -9.838 682 HG SER 86 HG SER 86 9.472 9.597 -12.210 683 HA PRO 87 HA PRO 87 13.258 12.297 -8.432 684 HB2 PRO 87 1HB PRO 87 11.170 13.524 -7.207 685 HB3 PRO 87 2HB PRO 87 11.833 14.071 -8.752 686 HG2 PRO 87 1HG PRO 87 9.413 12.391 -8.216 687 HG3 PRO 87 2HG PRO 87 9.614 13.731 -9.360 688 HD2 PRO 87 1HD PRO 87 9.712 11.136 -10.126 689 HD3 PRO 87 2HD PRO 87 10.662 12.404 -10.926 690 H PHE 88 H PHE 88 10.489 10.245 -7.755 691 HA PHE 88 HA PHE 88 11.247 9.996 -4.949 692 HB2 PHE 88 1HB PHE 88 8.861 9.206 -6.571 693 HB3 PHE 88 2HB PHE 88 9.184 8.358 -5.062 694 HD1 PHE 88 2HD PHE 88 9.825 11.932 -5.769 695 HD2 PHE 88 1HD PHE 88 7.386 9.089 -3.749 696 HE1 PHE 88 2HE PHE 88 8.743 13.754 -4.520 697 HE2 PHE 88 1HE PHE 88 6.299 10.906 -2.497 698 HZ PHE 88 HZ PHE 88 6.977 13.242 -2.881 699 H GLN 89 H GLN 89 13.140 9.019 -6.769 700 HA GLN 89 HA GLN 89 12.850 6.167 -7.017 701 HB2 GLN 89 1HB GLN 89 14.496 8.152 -8.162 702 HB3 GLN 89 2HB GLN 89 15.571 7.049 -7.313 703 HG2 GLN 89 1HG GLN 89 13.522 6.258 -9.372 704 HG3 GLN 89 2HG GLN 89 15.256 6.417 -9.650 705 HE21 GLN 89 1HE2 GLN 89 16.316 5.248 -7.446 706 HE22 GLN 89 2HE2 GLN 89 15.896 3.573 -7.397 707 H ASP 90 H ASP 90 13.683 8.223 -4.513 708 HA ASP 90 HA ASP 90 15.658 6.554 -3.250 709 HB2 ASP 90 1HB ASP 90 14.619 9.189 -2.877 710 HB3 ASP 90 2HB ASP 90 14.459 8.309 -1.360 711 H LYS 91 H LYS 91 12.317 7.468 -2.391 712 HA LYS 91 HA LYS 91 12.030 5.616 -0.305 713 HB2 LYS 91 1HB LYS 91 9.782 6.609 -2.055 714 HB3 LYS 91 2HB LYS 91 9.695 6.107 -0.372 715 HG2 LYS 91 1HG LYS 91 9.926 8.228 0.208 716 HG3 LYS 91 2HG LYS 91 11.568 8.182 -0.437 717 HD2 LYS 91 1HD LYS 91 10.304 8.571 -2.724 718 HD3 LYS 91 2HD LYS 91 9.069 9.245 -1.659 719 HE2 LYS 91 1HE LYS 91 11.967 10.079 -1.695 720 HE3 LYS 91 2HE LYS 91 10.659 10.941 -2.503 721 HZ1 LYS 91 3HZ LYS 91 10.439 12.054 -0.608 722 HZ2 LYS 91 1HZ LYS 91 11.431 10.983 0.248 723 HZ3 LYS 91 2HZ LYS 91 9.784 10.646 0.063 724 H LEU 92 H LEU 92 12.045 5.179 -3.694 725 HA LEU 92 HA LEU 92 10.398 2.884 -3.885 726 HB2 LEU 92 1HB LEU 92 12.316 4.307 -5.591 727 HB3 LEU 92 2HB LEU 92 12.179 2.581 -5.918 728 HG LEU 92 HG LEU 92 9.908 2.772 -6.521 729 HD11 LEU 92 1HD1 LEU 92 9.080 5.364 -6.353 730 HD12 LEU 92 2HD1 LEU 92 10.020 5.184 -4.872 731 HD13 LEU 92 3HD1 LEU 92 8.676 4.091 -5.200 732 HD21 LEU 92 3HD2 LEU 92 11.852 4.587 -7.694 733 HD22 LEU 92 1HD2 LEU 92 10.188 5.106 -7.960 734 HD23 LEU 92 2HD2 LEU 92 10.703 3.499 -8.473 735 H ASP 93 H ASP 93 13.871 3.326 -3.378 736 HA ASP 93 HA ASP 93 14.661 0.654 -3.542 737 HB2 ASP 93 1HB ASP 93 15.762 3.082 -2.189 738 HB3 ASP 93 2HB ASP 93 16.465 1.510 -1.815 739 H ARG 94 H ARG 94 12.879 2.314 -1.110 740 HA ARG 94 HA ARG 94 13.438 0.924 1.197 741 HB2 ARG 94 1HB ARG 94 10.745 1.875 0.206 742 HB3 ARG 94 2HB ARG 94 11.086 1.382 1.859 743 HG2 ARG 94 1HG ARG 94 12.303 3.714 0.395 744 HG3 ARG 94 2HG ARG 94 11.110 3.784 1.694 745 HD2 ARG 94 1HD ARG 94 13.958 2.817 1.875 746 HD3 ARG 94 2HD ARG 94 13.274 4.265 2.612 747 HE ARG 94 HE ARG 94 11.813 2.140 3.593 748 HH11 ARG 94 1HH1 ARG 94 15.136 3.177 3.625 749 HH12 ARG 94 2HH1 ARG 94 15.487 2.442 5.154 750 HH21 ARG 94 1HH2 ARG 94 12.262 1.167 5.606 751 HH22 ARG 94 2HH2 ARG 94 13.852 1.297 6.279 752 H LEU 95 H LEU 95 10.810 0.099 -1.075 753 HA LEU 95 HA LEU 95 10.073 -2.315 0.048 754 HB2 LEU 95 1HB LEU 95 10.128 -1.830 -2.917 755 HB3 LEU 95 2HB LEU 95 9.007 -2.833 -1.998 756 HG LEU 95 HG LEU 95 9.126 0.181 -2.016 757 HD11 LEU 95 1HD1 LEU 95 7.722 -1.769 -3.608 758 HD12 LEU 95 2HD1 LEU 95 7.805 -0.017 -3.789 759 HD13 LEU 95 3HD1 LEU 95 6.595 -0.737 -2.727 760 HD21 LEU 95 3HD2 LEU 95 6.858 -0.316 -0.748 761 HD22 LEU 95 1HD2 LEU 95 8.390 -0.170 0.113 762 HD23 LEU 95 2HD2 LEU 95 7.735 -1.766 -0.255 763 H ALA 96 H ALA 96 12.832 -1.555 -1.928 764 HA ALA 96 HA ALA 96 13.521 -4.392 -2.185 765 HB1 ALA 96 1HB ALA 96 13.616 -2.876 -4.179 766 HB2 ALA 96 2HB ALA 96 14.963 -2.046 -3.401 767 HB3 ALA 96 3HB ALA 96 15.110 -3.748 -3.835 768 H ASP 97 H ASP 97 13.644 -3.034 0.379 769 HA ASP 97 HA ASP 97 16.442 -3.599 0.990 770 HB2 ASP 97 1HB ASP 97 15.504 -0.970 0.798 771 HB3 ASP 97 2HB ASP 97 15.549 -1.310 2.526 772 H GLU 98 H GLU 98 16.497 -2.964 3.636 773 HA GLU 98 HA GLU 98 14.614 -4.912 4.730 774 HB2 GLU 98 1HB GLU 98 17.060 -3.648 5.980 775 HB3 GLU 98 2HB GLU 98 16.088 -4.925 6.698 776 HG2 GLU 98 1HG GLU 98 16.855 -6.525 5.226 777 HG3 GLU 98 2HG GLU 98 17.322 -5.334 4.013 778 H ILE 99 H ILE 99 14.148 -4.353 7.207 779 HA ILE 99 HA ILE 99 13.004 -1.637 7.224 780 HB ILE 99 HB ILE 99 11.534 -2.948 9.094 781 HG12 ILE 99 1HG1 ILE 99 10.831 -5.098 8.013 782 HG13 ILE 99 2HG1 ILE 99 12.190 -4.931 6.906 783 HG21 ILE 99 1HG2 ILE 99 9.806 -2.430 7.742 784 HG22 ILE 99 2HG2 ILE 99 11.056 -1.617 6.803 785 HG23 ILE 99 3HG2 ILE 99 10.520 -3.232 6.343 786 HD11 ILE 99 3HD1 ILE 99 13.008 -4.697 9.672 787 HD12 ILE 99 1HD1 ILE 99 12.196 -6.227 9.338 788 HD13 ILE 99 2HD1 ILE 99 13.611 -5.755 8.396 789 H ASN 100 H ASN 100 12.559 -0.834 9.505 790 HA ASN 100 HA ASN 100 14.918 -1.407 11.167 791 HB2 ASN 100 1HB ASN 100 13.508 1.066 10.431 792 HB3 ASN 100 2HB ASN 100 13.904 0.944 12.143 793 HD21 ASN 100 1HD2 ASN 100 15.677 -0.328 9.374 794 HD22 ASN 100 2HD2 ASN 100 17.109 0.603 9.636 795 HA PRO 101 HA PRO 101 11.515 -3.158 13.673 796 HB2 PRO 101 1HB PRO 101 13.095 -4.989 14.907 797 HB3 PRO 101 2HB PRO 101 12.376 -5.258 13.315 798 HG2 PRO 101 1HG PRO 101 15.151 -4.383 14.016 799 HG3 PRO 101 2HG PRO 101 14.623 -5.561 12.801 800 HD2 PRO 101 1HD PRO 101 15.323 -3.025 12.163 801 HD3 PRO 101 2HD PRO 101 14.083 -3.927 11.268 802 H GLY 102 H GLY 102 11.150 -1.506 15.107 803 HA2 GLY 102 1HA GLY 102 11.275 -1.066 17.491 804 HA3 GLY 102 2HA GLY 102 13.003 -1.373 17.399 805 H GLU 103 H GLU 103 12.093 0.358 14.711 806 HA GLU 103 HA GLU 103 12.731 2.917 16.026 807 HB2 GLU 103 1HB GLU 103 14.406 1.681 14.330 808 HB3 GLU 103 2HB GLU 103 13.424 2.555 13.163 809 HG2 GLU 103 1HG GLU 103 14.856 4.225 13.502 810 HG3 GLU 103 2HG GLU 103 13.954 4.497 14.992 811 H THR 104 H THR 104 12.369 4.602 13.887 812 HA THR 104 HA THR 104 9.605 4.150 13.003 813 HB THR 104 HB THR 104 9.386 5.570 14.943 814 HG1 THR 104 1HG THR 104 8.259 7.206 13.951 815 HG21 THR 104 3HG2 THR 104 11.865 6.627 14.084 816 HG22 THR 104 1HG2 THR 104 10.963 7.023 15.546 817 HG23 THR 104 2HG2 THR 104 10.701 7.952 14.070 818 H ILE 105 H ILE 105 9.515 4.320 10.870 819 HA ILE 105 HA ILE 105 10.954 6.468 9.524 820 HB ILE 105 HB ILE 105 11.974 5.071 7.875 821 HG12 ILE 105 1HG1 ILE 105 11.722 2.441 8.755 822 HG13 ILE 105 2HG1 ILE 105 10.096 3.099 8.904 823 HG21 ILE 105 1HG2 ILE 105 12.502 4.008 10.646 824 HG22 ILE 105 2HG2 ILE 105 13.553 3.761 9.252 825 HG23 ILE 105 3HG2 ILE 105 13.284 5.388 9.876 826 HD11 ILE 105 3HD1 ILE 105 11.628 3.524 6.384 827 HD12 ILE 105 1HD1 ILE 105 10.859 1.967 6.695 828 HD13 ILE 105 2HD1 ILE 105 9.886 3.438 6.643 829 H GLN 106 H GLN 106 10.465 5.944 6.946 830 HA GLN 106 HA GLN 106 7.701 5.135 6.593 831 HB2 GLN 106 1HB GLN 106 7.269 7.359 5.360 832 HB3 GLN 106 2HB GLN 106 7.193 7.352 7.117 833 HG2 GLN 106 1HG GLN 106 9.415 8.295 7.251 834 HG3 GLN 106 2HG GLN 106 9.574 8.225 5.496 835 HE21 GLN 106 1HE2 GLN 106 8.584 10.065 8.137 836 HE22 GLN 106 2HE2 GLN 106 7.821 11.352 7.275 837 H GLY 107 H GLY 107 7.134 5.854 4.120 838 HA2 GLY 107 1HA GLY 107 9.188 5.882 2.217 839 HA3 GLY 107 2HA GLY 107 8.763 4.204 2.519 840 H ALA 108 H ALA 108 8.366 4.769 0.055 841 HA ALA 108 HA ALA 108 5.498 5.404 -0.198 842 HB1 ALA 108 1HB ALA 108 7.710 6.000 -2.158 843 HB2 ALA 108 2HB ALA 108 5.990 6.231 -2.475 844 HB3 ALA 108 3HB ALA 108 6.788 7.171 -1.214 845 H TYR 109 H TYR 109 4.396 4.327 -1.987 846 HA TYR 109 HA TYR 109 5.672 1.817 -2.828 847 HB2 TYR 109 1HB TYR 109 3.937 1.717 -0.836 848 HB3 TYR 109 2HB TYR 109 2.763 1.805 -2.145 849 HD1 TYR 109 1HD TYR 109 3.354 0.121 -4.170 850 HD2 TYR 109 2HD TYR 109 4.514 -0.388 -0.108 851 HE1 TYR 109 1HE TYR 109 3.586 -2.299 -4.546 852 HE2 TYR 109 2HE TYR 109 4.751 -2.808 -0.473 853 HH TYR 109 HH TYR 109 4.578 -4.215 -3.647 854 HA PRO 110 HA PRO 110 4.045 3.869 -6.561 855 HB2 PRO 110 1HB PRO 110 5.871 2.738 -8.222 856 HB3 PRO 110 2HB PRO 110 6.209 4.186 -7.266 857 HG2 PRO 110 1HG PRO 110 6.944 1.336 -6.715 858 HG3 PRO 110 2HG PRO 110 7.926 2.801 -6.528 859 HD2 PRO 110 1HD PRO 110 6.706 1.588 -4.437 860 HD3 PRO 110 2HD PRO 110 6.957 3.344 -4.508 861 H TYR 111 H TYR 111 2.162 2.901 -7.075 862 HA TYR 111 HA TYR 111 2.163 0.046 -7.743 863 HB2 TYR 111 1HB TYR 111 -0.010 1.987 -6.989 864 HB3 TYR 111 2HB TYR 111 -0.387 0.438 -7.735 865 HD1 TYR 111 2HD TYR 111 0.169 -1.671 -6.549 866 HD2 TYR 111 1HD TYR 111 0.644 2.131 -4.699 867 HE1 TYR 111 2HE TYR 111 0.274 -2.761 -4.347 868 HE2 TYR 111 1HE TYR 111 0.751 1.051 -2.492 869 HH TYR 111 HH TYR 111 -0.178 -2.109 -1.945 870 H GLU 112 H GLU 112 1.754 -0.694 -9.750 871 HA GLU 112 HA GLU 112 2.204 0.785 -12.006 872 HB2 GLU 112 1HB GLU 112 0.770 -1.047 -13.168 873 HB3 GLU 112 2HB GLU 112 2.257 -1.507 -12.351 874 HG2 GLU 112 1HG GLU 112 1.186 -2.750 -10.836 875 HG3 GLU 112 2HG GLU 112 -0.108 -1.569 -10.637 876 H PHE 113 H PHE 113 1.191 2.527 -12.731 877 HA PHE 113 HA PHE 113 -1.617 2.962 -12.151 878 HB2 PHE 113 1HB PHE 113 0.606 4.632 -12.525 879 HB3 PHE 113 2HB PHE 113 -0.445 4.941 -13.903 880 HD1 PHE 113 1HD PHE 113 -1.157 4.174 -10.324 881 HD2 PHE 113 2HD PHE 113 -1.570 6.913 -13.557 882 HE1 PHE 113 1HE PHE 113 -2.568 5.618 -8.917 883 HE2 PHE 113 2HE PHE 113 -2.981 8.361 -12.155 884 HZ PHE 113 HZ PHE 113 -3.481 7.714 -9.831 885 H ILE 114 H ILE 114 -0.307 1.040 -14.265 886 HA ILE 114 HA ILE 114 -0.895 1.672 -16.835 887 HB ILE 114 HB ILE 114 -1.543 -0.962 -15.505 888 HG12 ILE 114 1HG1 ILE 114 0.893 -0.513 -17.162 889 HG13 ILE 114 2HG1 ILE 114 0.877 0.158 -15.535 890 HG21 ILE 114 1HG2 ILE 114 -1.057 -1.780 -17.906 891 HG22 ILE 114 2HG2 ILE 114 -2.633 -1.075 -17.551 892 HG23 ILE 114 3HG2 ILE 114 -1.402 -0.115 -18.373 893 HD11 ILE 114 3HD1 ILE 114 1.566 -1.820 -14.827 894 HD12 ILE 114 1HD1 ILE 114 -0.034 -2.444 -15.227 895 HD13 ILE 114 2HD1 ILE 114 1.276 -2.557 -16.403 896 H ASN 115 H ASN 115 -3.189 0.951 -14.286 897 HA ASN 115 HA ASN 115 -5.437 1.019 -16.132 898 HB2 ASN 115 1HB ASN 115 -5.106 0.379 -13.223 899 HB3 ASN 115 2HB ASN 115 -6.701 0.797 -13.842 900 HD21 ASN 115 1HD2 ASN 115 -6.995 -0.375 -16.136 901 HD22 ASN 115 2HD2 ASN 115 -6.758 -2.084 -16.050 902 H GLU 116 H GLU 116 -4.022 3.401 -16.106 903 HA GLU 116 HA GLU 116 -4.873 5.362 -14.329 904 HB2 GLU 116 1HB GLU 116 -4.459 6.944 -16.297 905 HB3 GLU 116 2HB GLU 116 -3.110 5.950 -15.766 906 HG2 GLU 116 1HG GLU 116 -2.913 5.034 -17.768 907 HG3 GLU 116 2HG GLU 116 -4.616 4.577 -17.785 908 H ASN 117 H ASN 117 -6.563 3.820 -16.922 909 HA ASN 117 HA ASN 117 -8.570 5.816 -17.279 910 HB2 ASN 117 1HB ASN 117 -9.042 2.922 -17.902 911 HB3 ASN 117 2HB ASN 117 -9.557 4.351 -18.793 912 HD21 ASN 117 1HD2 ASN 117 -6.849 2.268 -18.046 913 HD22 ASN 117 2HD2 ASN 117 -5.889 2.705 -19.414 914 H LYS 118 H LYS 118 -8.074 3.233 -15.039 915 HA LYS 118 HA LYS 118 -10.811 3.561 -14.007 916 HB2 LYS 118 1HB LYS 118 -8.882 1.324 -13.379 917 HB3 LYS 118 2HB LYS 118 -10.593 1.397 -12.980 918 HG2 LYS 118 1HG LYS 118 -9.517 1.327 -15.789 919 HG3 LYS 118 2HG LYS 118 -10.049 -0.095 -14.889 920 HD2 LYS 118 1HD LYS 118 -12.255 1.200 -14.574 921 HD3 LYS 118 2HD LYS 118 -11.672 2.222 -15.890 922 HE2 LYS 118 1HE LYS 118 -11.361 0.116 -17.235 923 HE3 LYS 118 2HE LYS 118 -12.216 -0.740 -15.953 924 HZ1 LYS 118 3HZ LYS 118 -13.572 1.615 -16.924 925 HZ2 LYS 118 1HZ LYS 118 -14.177 0.065 -16.619 926 HZ3 LYS 118 2HZ LYS 118 -13.395 0.395 -18.082 927 HA PRO 119 HA PRO 119 -9.330 5.517 -10.365 928 HB2 PRO 119 1HB PRO 119 -11.144 4.647 -8.543 929 HB3 PRO 119 2HB PRO 119 -11.532 5.837 -9.791 930 HG2 PRO 119 1HG PRO 119 -12.082 2.895 -9.742 931 HG3 PRO 119 2HG PRO 119 -13.139 4.222 -10.257 932 HD2 PRO 119 1HD PRO 119 -11.780 2.676 -12.016 933 HD3 PRO 119 2HD PRO 119 -12.133 4.389 -12.324 934 H VAL 120 H VAL 120 -8.207 5.164 -8.426 935 HA VAL 120 HA VAL 120 -7.033 2.530 -8.191 936 HB VAL 120 HB VAL 120 -6.472 4.956 -6.485 937 HG11 VAL 120 1HG1 VAL 120 -5.137 2.314 -6.904 938 HG12 VAL 120 2HG1 VAL 120 -4.188 3.722 -6.425 939 HG13 VAL 120 3HG1 VAL 120 -5.507 3.156 -5.399 940 HG21 VAL 120 3HG2 VAL 120 -5.578 4.234 -9.227 941 HG22 VAL 120 1HG2 VAL 120 -5.904 5.818 -8.523 942 HG23 VAL 120 2HG2 VAL 120 -4.406 4.972 -8.136 943 H HIS 121 H HIS 121 -8.024 1.013 -7.041 944 HA HIS 121 HA HIS 121 -9.938 1.635 -4.999 945 HB2 HIS 121 1HB HIS 121 -9.755 -0.440 -6.641 946 HB3 HIS 121 2HB HIS 121 -8.825 -1.117 -5.308 947 HD1 HIS 121 1HD HIS 121 -10.923 0.658 -3.347 948 HD2 HIS 121 2HD HIS 121 -11.673 -2.493 -5.949 949 HE1 HIS 121 1HE HIS 121 -13.080 -0.367 -2.558 950 H PHE 122 H PHE 122 -8.674 2.824 -3.495 951 HA PHE 122 HA PHE 122 -6.403 1.627 -2.216 952 HB2 PHE 122 1HB PHE 122 -8.032 4.102 -1.652 953 HB3 PHE 122 2HB PHE 122 -6.705 3.593 -0.612 954 HD1 PHE 122 2HD PHE 122 -4.642 2.735 -2.391 955 HD2 PHE 122 1HD PHE 122 -7.392 5.952 -2.845 956 HE1 PHE 122 2HE PHE 122 -3.045 3.887 -3.866 957 HE2 PHE 122 1HE PHE 122 -5.800 7.108 -4.323 958 HZ PHE 122 HZ PHE 122 -3.623 6.077 -4.834 959 H LYS 123 H LYS 123 -6.625 -0.054 -0.901 960 HA LYS 123 HA LYS 123 -8.674 0.068 1.193 961 HB2 LYS 123 1HB LYS 123 -8.067 -2.437 -0.384 962 HB3 LYS 123 2HB LYS 123 -9.268 -2.257 0.888 963 HG2 LYS 123 1HG LYS 123 -10.303 -0.467 -0.652 964 HG3 LYS 123 2HG LYS 123 -9.319 -1.213 -1.913 965 HD2 LYS 123 1HD LYS 123 -10.858 -3.087 -0.246 966 HD3 LYS 123 2HD LYS 123 -11.825 -2.009 -1.255 967 HE2 LYS 123 1HE LYS 123 -10.317 -2.703 -3.178 968 HE3 LYS 123 2HE LYS 123 -9.715 -3.974 -2.115 969 HZ1 LYS 123 3HZ LYS 123 -11.486 -5.199 -2.569 970 HZ2 LYS 123 1HZ LYS 123 -11.982 -4.042 -3.700 971 HZ3 LYS 123 2HZ LYS 123 -12.540 -3.960 -2.106 972 H PHE 124 H PHE 124 -8.242 -1.651 2.903 973 HA PHE 124 HA PHE 124 -5.425 -2.364 3.155 974 HB2 PHE 124 1HB PHE 124 -6.863 -0.792 5.303 975 HB3 PHE 124 2HB PHE 124 -5.195 -1.355 5.351 976 HD1 PHE 124 1HD PHE 124 -7.515 0.997 3.719 977 HD2 PHE 124 2HD PHE 124 -3.456 -0.137 4.309 978 HE1 PHE 124 1HE PHE 124 -6.779 3.111 2.695 979 HE2 PHE 124 2HE PHE 124 -2.713 1.974 3.288 980 HZ PHE 124 HZ PHE 124 -4.376 3.602 2.480 981 H ARG 125 H ARG 125 -5.056 -4.162 4.401 982 HA ARG 125 HA ARG 125 -6.863 -5.241 6.273 983 HB2 ARG 125 1HB ARG 125 -7.853 -7.048 5.099 984 HB3 ARG 125 2HB ARG 125 -8.133 -5.617 4.116 985 HG2 ARG 125 1HG ARG 125 -7.445 -7.006 2.476 986 HG3 ARG 125 2HG ARG 125 -5.857 -6.441 3.000 987 HD2 ARG 125 1HD ARG 125 -5.423 -8.402 4.191 988 HD3 ARG 125 2HD ARG 125 -7.124 -8.864 4.228 989 HE ARG 125 HE ARG 125 -5.229 -9.394 2.135 990 HH11 ARG 125 1HH1 ARG 125 -8.601 -8.993 2.905 991 HH12 ARG 125 2HH1 ARG 125 -9.154 -9.930 1.557 992 HH21 ARG 125 1HH2 ARG 125 -5.945 -10.630 0.357 993 HH22 ARG 125 2HH2 ARG 125 -7.643 -10.861 0.109 994 H ASP 126 H ASP 126 -6.105 -7.195 7.215 995 HA ASP 126 HA ASP 126 -3.341 -7.870 6.448 996 HB2 ASP 126 1HB ASP 126 -4.069 -6.777 8.803 997 HB3 ASP 126 2HB ASP 126 -4.265 -8.482 9.197 998 H ARG 127 H ARG 127 -2.926 -10.112 7.912 999 HA ARG 127 HA ARG 127 -4.668 -12.027 6.555 1000 HB2 ARG 127 1HB ARG 127 -2.012 -12.377 7.955 1001 HB3 ARG 127 2HB ARG 127 -2.917 -13.684 7.202 1002 HG2 ARG 127 1HG ARG 127 -1.620 -13.230 5.433 1003 HG3 ARG 127 2HG ARG 127 -2.783 -11.932 5.152 1004 HD2 ARG 127 1HD ARG 127 -0.488 -11.110 5.021 1005 HD3 ARG 127 2HD ARG 127 -1.356 -10.375 6.369 1006 HE ARG 127 HE ARG 127 0.161 -11.317 7.786 1007 HH11 ARG 127 1HH1 ARG 127 0.251 -13.035 4.760 1008 HH12 ARG 127 2HH1 ARG 127 1.601 -14.024 5.212 1009 HH21 ARG 127 1HH2 ARG 127 1.937 -12.613 8.393 1010 HH22 ARG 127 2HH2 ARG 127 2.558 -13.783 7.279 1011 H LEU 128 H LEU 128 -6.158 -13.181 7.593 1012 HA LEU 128 HA LEU 128 -5.894 -14.161 10.224 1013 HB2 LEU 128 1HB LEU 128 -7.385 -12.823 11.453 1014 HB3 LEU 128 2HB LEU 128 -6.290 -11.706 10.641 1015 HG LEU 128 HG LEU 128 -8.588 -12.088 8.994 1016 HD11 LEU 128 1HD1 LEU 128 -10.128 -12.545 10.574 1017 HD12 LEU 128 2HD1 LEU 128 -10.029 -10.809 10.870 1018 HD13 LEU 128 3HD1 LEU 128 -9.125 -11.930 11.888 1019 HD21 LEU 128 3HD2 LEU 128 -7.627 -10.071 8.652 1020 HD22 LEU 128 1HD2 LEU 128 -7.113 -9.908 10.331 1021 HD23 LEU 128 2HD2 LEU 128 -8.784 -9.563 9.884 1022 H LEU 129 H LEU 129 -8.467 -14.502 11.019 1023 HA LEU 129 HA LEU 129 -9.431 -16.391 9.078 1024 HB2 LEU 129 1HB LEU 129 -9.444 -16.498 11.691 1025 HB3 LEU 129 2HB LEU 129 -10.963 -15.621 11.522 1026 HG LEU 129 HG LEU 129 -11.587 -17.582 9.912 1027 HD11 LEU 129 1HD1 LEU 129 -9.185 -18.469 10.131 1028 HD12 LEU 129 2HD1 LEU 129 -10.516 -19.621 10.236 1029 HD13 LEU 129 3HD1 LEU 129 -9.706 -19.075 11.704 1030 HD21 LEU 129 3HD2 LEU 129 -12.879 -18.379 11.590 1031 HD22 LEU 129 1HD2 LEU 129 -12.288 -16.935 12.412 1032 HD23 LEU 129 2HD2 LEU 129 -11.532 -18.498 12.723 1033 H SER 130 H SER 130 -9.634 -14.289 7.631 1034 HA SER 130 HA SER 130 -12.487 -13.586 7.666 1035 HB2 SER 130 1HB SER 130 -10.134 -11.741 7.534 1036 HB3 SER 130 2HB SER 130 -11.602 -11.316 6.654 1037 HG SER 130 HG SER 130 -12.663 -11.787 8.785 1038 H LEU 131 H LEU 131 -13.483 -13.533 5.697 1039 HA LEU 131 HA LEU 131 -11.919 -13.642 3.257 1040 HB2 LEU 131 1HB LEU 131 -13.382 -15.699 2.590 1041 HB3 LEU 131 2HB LEU 131 -11.881 -15.915 3.488 1042 HG LEU 131 HG LEU 131 -14.386 -15.678 5.061 1043 HD11 LEU 131 1HD1 LEU 131 -14.272 -17.460 2.909 1044 HD12 LEU 131 2HD1 LEU 131 -15.413 -17.469 4.254 1045 HD13 LEU 131 3HD1 LEU 131 -13.933 -18.423 4.348 1046 HD21 LEU 131 3HD2 LEU 131 -13.173 -16.698 6.657 1047 HD22 LEU 131 1HD2 LEU 131 -11.800 -16.175 5.680 1048 HD23 LEU 131 2HD2 LEU 131 -12.422 -17.818 5.520 1049 H ASP 132 H ASP 132 -13.983 -11.942 4.594 1050 HA ASP 132 HA ASP 132 -16.112 -12.091 2.568 1051 HB2 ASP 132 1HB ASP 132 -16.959 -12.215 4.839 1052 HB3 ASP 132 2HB ASP 132 -16.081 -10.753 5.280 1053 H GLU 133 H GLU 133 -14.418 -9.581 4.461 1054 HA GLU 133 HA GLU 133 -13.697 -8.137 2.087 1055 HB2 GLU 133 1HB GLU 133 -16.022 -7.294 3.747 1056 HB3 GLU 133 2HB GLU 133 -14.946 -6.040 3.148 1057 HG2 GLU 133 1HG GLU 133 -16.203 -6.060 1.318 1058 HG3 GLU 133 2HG GLU 133 -15.377 -7.564 0.915 1059 HA PRO 134 HA PRO 134 -10.536 -6.553 4.681 1060 HB2 PRO 134 1HB PRO 134 -10.147 -4.060 3.679 1061 HB3 PRO 134 2HB PRO 134 -9.656 -5.526 2.823 1062 HG2 PRO 134 1HG PRO 134 -12.097 -3.837 2.439 1063 HG3 PRO 134 2HG PRO 134 -11.035 -4.563 1.218 1064 HD2 PRO 134 1HD PRO 134 -13.417 -5.650 1.910 1065 HD3 PRO 134 2HD PRO 134 -12.029 -6.634 1.405 1066 H ILE 135 H ILE 135 -9.909 -4.526 5.999 1067 HA ILE 135 HA ILE 135 -12.128 -3.930 7.740 1068 HB ILE 135 HB ILE 135 -9.828 -4.406 8.591 1069 HG12 ILE 135 1HG1 ILE 135 -10.358 -1.671 9.573 1070 HG13 ILE 135 2HG1 ILE 135 -11.740 -2.761 9.603 1071 HG21 ILE 135 1HG2 ILE 135 -8.961 -1.635 8.097 1072 HG22 ILE 135 2HG2 ILE 135 -8.028 -3.130 8.128 1073 HG23 ILE 135 3HG2 ILE 135 -8.960 -2.702 6.694 1074 HD11 ILE 135 3HD1 ILE 135 -9.162 -2.934 11.090 1075 HD12 ILE 135 1HD1 ILE 135 -10.816 -3.057 11.689 1076 HD13 ILE 135 2HD1 ILE 135 -10.107 -4.389 10.776 1077 H ALA 136 H ALA 136 -10.302 -2.289 5.264 1078 HA ALA 136 HA ALA 136 -12.182 -0.061 5.392 1079 HB1 ALA 136 1HB ALA 136 -9.887 1.313 4.901 1080 HB2 ALA 136 2HB ALA 136 -10.675 1.197 6.475 1081 HB3 ALA 136 3HB ALA 136 -9.339 0.117 6.076 1082 H SER 137 H SER 137 -12.088 1.312 3.452 1083 HA SER 137 HA SER 137 -10.595 0.610 1.165 1084 HB2 SER 137 1HB SER 137 -12.392 -0.408 -0.197 1085 HB3 SER 137 2HB SER 137 -11.962 -1.418 1.183 1086 HG SER 137 HG SER 137 -14.014 -1.343 1.612 1087 H GLU 138 H GLU 138 -11.068 1.934 -0.642 1088 HA GLU 138 HA GLU 138 -13.280 3.640 -0.860 1089 HB2 GLU 138 1HB GLU 138 -12.511 4.769 1.106 1090 HB3 GLU 138 2HB GLU 138 -10.864 4.833 0.496 1091 HG2 GLU 138 1HG GLU 138 -11.285 6.594 -0.876 1092 HG3 GLU 138 2HG GLU 138 -12.973 6.147 -1.115 1093 H GLU 139 H GLU 139 -13.365 4.206 -2.931 1094 HA GLU 139 HA GLU 139 -11.009 3.886 -4.589 1095 HB2 GLU 139 1HB GLU 139 -13.912 4.420 -5.198 1096 HB3 GLU 139 2HB GLU 139 -12.672 4.428 -6.444 1097 HG2 GLU 139 1HG GLU 139 -13.026 2.255 -6.664 1098 HG3 GLU 139 2HG GLU 139 -12.250 2.050 -5.095 1099 H ILE 140 H ILE 140 -9.860 5.474 -5.536 1100 HA ILE 140 HA ILE 140 -10.885 8.208 -5.522 1101 HB ILE 140 HB ILE 140 -8.221 7.468 -4.304 1102 HG12 ILE 140 1HG1 ILE 140 -10.712 8.651 -3.056 1103 HG13 ILE 140 2HG1 ILE 140 -10.126 7.008 -2.820 1104 HG21 ILE 140 1HG2 ILE 140 -8.001 9.863 -3.838 1105 HG22 ILE 140 2HG2 ILE 140 -8.094 9.542 -5.568 1106 HG23 ILE 140 3HG2 ILE 140 -9.502 10.167 -4.711 1107 HD11 ILE 140 3HD1 ILE 140 -8.895 9.573 -1.874 1108 HD12 ILE 140 1HD1 ILE 140 -9.480 8.215 -0.914 1109 HD13 ILE 140 2HD1 ILE 140 -8.018 8.043 -1.887 1110 H THR 141 H THR 141 -10.047 9.512 -7.125 1111 HA THR 141 HA THR 141 -8.363 8.131 -9.104 1112 HB THR 141 HB THR 141 -10.205 10.492 -9.529 1113 HG1 THR 141 1HG THR 141 -11.707 9.061 -10.001 1114 HG21 THR 141 3HG2 THR 141 -8.896 10.758 -11.344 1115 HG22 THR 141 1HG2 THR 141 -9.773 9.362 -11.969 1116 HG23 THR 141 2HG2 THR 141 -8.200 9.144 -11.201 1117 H ILE 142 H ILE 142 -6.292 8.675 -8.760 1118 HA ILE 142 HA ILE 142 -5.643 11.476 -8.163 1119 HB ILE 142 HB ILE 142 -3.783 9.105 -8.018 1120 HG12 ILE 142 1HG1 ILE 142 -5.386 10.406 -5.805 1121 HG13 ILE 142 2HG1 ILE 142 -5.666 8.800 -6.467 1122 HG21 ILE 142 1HG2 ILE 142 -3.042 11.629 -8.172 1123 HG22 ILE 142 2HG2 ILE 142 -3.441 11.611 -6.455 1124 HG23 ILE 142 3HG2 ILE 142 -2.228 10.500 -7.090 1125 HD11 ILE 142 3HD1 ILE 142 -3.622 7.990 -5.580 1126 HD12 ILE 142 1HD1 ILE 142 -3.097 9.616 -5.142 1127 HD13 ILE 142 2HD1 ILE 142 -4.447 8.865 -4.289 1128 H THR 143 H THR 143 -4.890 12.729 -9.728 1129 HA THR 143 HA THR 143 -3.244 11.580 -11.851 1130 HB THR 143 HB THR 143 -4.663 13.252 -13.392 1131 HG1 THR 143 1HG THR 143 -6.092 13.442 -11.360 1132 HG21 THR 143 3HG2 THR 143 -4.668 11.251 -14.401 1133 HG22 THR 143 1HG2 THR 143 -6.198 10.968 -13.573 1134 HG23 THR 143 2HG2 THR 143 -4.691 10.385 -12.866 Start of MODEL 16 1 H1 MET 1 H MET 1 -24.652 1.350 18.331 2 HA MET 1 HA MET 1 -26.331 1.067 20.322 3 HB2 MET 1 1HB MET 1 -26.873 -1.111 18.462 4 HB3 MET 1 2HB MET 1 -26.545 -1.688 20.091 5 HG2 MET 1 1HG MET 1 -28.336 -0.448 20.996 6 HG3 MET 1 2HG MET 1 -28.534 0.483 19.512 7 HE1 MET 1 3HE MET 1 -30.763 0.327 19.325 8 HE2 MET 1 1HE MET 1 -30.687 -0.400 17.720 9 HE3 MET 1 2HE MET 1 -31.763 -1.075 18.943 10 H ASP 2 H ASP 2 -24.377 -1.627 19.037 11 HA ASP 2 HA ASP 2 -22.082 -1.049 20.565 12 HB2 ASP 2 1HB ASP 2 -23.867 -1.818 22.312 13 HB3 ASP 2 2HB ASP 2 -23.520 -3.429 21.691 14 H GLU 3 H GLU 3 -21.605 -1.517 18.243 15 HA GLU 3 HA GLU 3 -21.113 -4.400 17.882 16 HB2 GLU 3 1HB GLU 3 -21.293 -3.962 15.413 17 HB3 GLU 3 2HB GLU 3 -22.801 -3.812 16.304 18 HG2 GLU 3 1HG GLU 3 -21.440 -1.281 16.177 19 HG3 GLU 3 2HG GLU 3 -21.668 -1.957 14.565 20 H VAL 4 H VAL 4 -19.005 -4.618 18.334 21 HA VAL 4 HA VAL 4 -17.008 -2.710 18.092 22 HB VAL 4 HB VAL 4 -15.417 -4.679 17.999 23 HG11 VAL 4 1HG1 VAL 4 -16.168 -3.600 20.091 24 HG12 VAL 4 2HG1 VAL 4 -17.499 -4.755 20.180 25 HG13 VAL 4 3HG1 VAL 4 -15.831 -5.319 20.290 26 HG21 VAL 4 3HG2 VAL 4 -17.106 -6.160 16.838 27 HG22 VAL 4 1HG2 VAL 4 -16.243 -6.888 18.193 28 HG23 VAL 4 2HG2 VAL 4 -17.902 -6.328 18.403 29 H LEU 5 H LEU 5 -15.219 -2.565 16.594 30 HA LEU 5 HA LEU 5 -15.983 -3.311 13.847 31 HB2 LEU 5 1HB LEU 5 -14.336 -0.933 14.689 32 HB3 LEU 5 2HB LEU 5 -14.888 -1.315 13.060 33 HG LEU 5 HG LEU 5 -17.248 -1.149 14.420 34 HD11 LEU 5 1HD1 LEU 5 -16.792 1.228 15.520 35 HD12 LEU 5 2HD1 LEU 5 -15.220 0.490 15.825 36 HD13 LEU 5 3HD1 LEU 5 -16.687 -0.275 16.437 37 HD21 LEU 5 3HD2 LEU 5 -16.215 -0.028 12.253 38 HD22 LEU 5 1HD2 LEU 5 -16.108 1.366 13.328 39 HD23 LEU 5 2HD2 LEU 5 -17.670 0.604 13.026 40 H ALA 6 H ALA 6 -14.495 -4.292 12.571 41 HA ALA 6 HA ALA 6 -12.611 -5.414 11.959 42 HB1 ALA 6 1HB ALA 6 -11.079 -3.692 13.889 43 HB2 ALA 6 2HB ALA 6 -10.507 -4.449 12.402 44 HB3 ALA 6 3HB ALA 6 -11.640 -3.100 12.325 45 H THR 7 H THR 7 -14.185 -6.044 14.495 46 HA THR 7 HA THR 7 -14.133 -7.526 16.227 47 HB THR 7 HB THR 7 -11.868 -9.075 15.148 48 HG1 THR 7 1HG THR 7 -12.871 -9.590 13.237 49 HG21 THR 7 3HG2 THR 7 -13.788 -10.816 15.170 50 HG22 THR 7 1HG2 THR 7 -14.679 -9.581 16.060 51 HG23 THR 7 2HG2 THR 7 -13.166 -10.216 16.707 52 H SER 8 H SER 8 -12.599 -5.222 16.675 53 HA SER 8 HA SER 8 -10.979 -4.358 18.023 54 HB2 SER 8 1HB SER 8 -12.261 -6.285 19.448 55 HB3 SER 8 2HB SER 8 -10.597 -6.861 19.546 56 HG SER 8 HG SER 8 -10.166 -5.292 20.869 57 H ILE 9 H ILE 9 -10.137 -5.745 15.603 58 HA ILE 9 HA ILE 9 -7.564 -6.907 16.373 59 HB ILE 9 HB ILE 9 -8.876 -6.732 13.657 60 HG12 ILE 9 1HG1 ILE 9 -10.049 -8.245 15.187 61 HG13 ILE 9 2HG1 ILE 9 -9.224 -9.152 13.924 62 HG21 ILE 9 1HG2 ILE 9 -6.171 -7.264 14.415 63 HG22 ILE 9 2HG2 ILE 9 -6.885 -8.719 13.723 64 HG23 ILE 9 3HG2 ILE 9 -6.886 -7.215 12.804 65 HD11 ILE 9 3HD1 ILE 9 -9.003 -9.409 16.739 66 HD12 ILE 9 1HD1 ILE 9 -8.225 -10.362 15.475 67 HD13 ILE 9 2HD1 ILE 9 -7.438 -8.911 16.097 68 H GLY 10 H GLY 10 -8.503 -4.821 13.641 69 HA2 GLY 10 1HA GLY 10 -6.354 -2.961 14.413 70 HA3 GLY 10 2HA GLY 10 -6.400 -3.611 12.781 71 H THR 11 H THR 11 -6.468 -1.287 12.234 72 HA THR 11 HA THR 11 -9.177 -0.496 11.693 73 HB THR 11 HB THR 11 -8.564 1.887 12.697 74 HG1 THR 11 1HG THR 11 -7.489 1.550 14.735 75 HG21 THR 11 3HG2 THR 11 -10.047 1.451 14.453 76 HG22 THR 11 1HG2 THR 11 -9.508 -0.219 14.618 77 HG23 THR 11 2HG2 THR 11 -10.487 0.258 13.231 78 H TYR 12 H TYR 12 -9.250 0.514 9.786 79 HA TYR 12 HA TYR 12 -6.756 1.698 8.754 80 HB2 TYR 12 1HB TYR 12 -8.939 0.342 7.159 81 HB3 TYR 12 2HB TYR 12 -7.447 1.017 6.514 82 HD1 TYR 12 2HD TYR 12 -5.762 -0.039 8.941 83 HD2 TYR 12 1HD TYR 12 -8.502 -1.860 6.243 84 HE1 TYR 12 2HE TYR 12 -4.639 -2.203 9.270 85 HE2 TYR 12 1HE TYR 12 -7.387 -4.028 6.565 86 HH TYR 12 HH TYR 12 -4.534 -4.499 7.569 87 H GLU 13 H GLU 13 -7.658 3.646 9.858 88 HA GLU 13 HA GLU 13 -9.140 5.221 7.921 89 HB2 GLU 13 1HB GLU 13 -10.876 5.917 9.373 90 HB3 GLU 13 2HB GLU 13 -10.820 4.164 9.499 91 HG2 GLU 13 1HG GLU 13 -9.151 4.867 11.506 92 HG3 GLU 13 2HG GLU 13 -10.275 6.225 11.514 93 H ASN 14 H ASN 14 -9.469 7.546 9.045 94 HA ASN 14 HA ASN 14 -8.397 9.465 9.632 95 HB2 ASN 14 1HB ASN 14 -6.940 7.701 11.612 96 HB3 ASN 14 2HB ASN 14 -7.159 9.446 11.717 97 HD21 ASN 14 1HD2 ASN 14 -8.011 7.011 13.353 98 HD22 ASN 14 2HD2 ASN 14 -9.687 7.299 13.660 99 H ARG 15 H ARG 15 -7.208 7.701 7.574 100 HA ARG 15 HA ARG 15 -5.392 7.700 6.204 101 HB2 ARG 15 1HB ARG 15 -5.550 10.252 7.078 102 HB3 ARG 15 2HB ARG 15 -3.958 9.820 7.688 103 HG2 ARG 15 1HG ARG 15 -3.761 10.853 5.520 104 HG3 ARG 15 2HG ARG 15 -3.288 9.155 5.420 105 HD2 ARG 15 1HD ARG 15 -4.744 9.990 3.544 106 HD3 ARG 15 2HD ARG 15 -5.331 8.554 4.382 107 HE ARG 15 HE ARG 15 -6.396 10.989 5.451 108 HH11 ARG 15 1HH1 ARG 15 -6.751 8.591 2.952 109 HH12 ARG 15 2HH1 ARG 15 -8.442 8.891 2.722 110 HH21 ARG 15 1HH2 ARG 15 -8.622 11.394 5.157 111 HH22 ARG 15 2HH2 ARG 15 -9.505 10.487 3.976 112 H THR 16 H THR 16 -5.418 5.966 8.429 113 HA THR 16 HA THR 16 -2.583 5.399 8.617 114 HB THR 16 HB THR 16 -4.225 5.818 11.123 115 HG1 THR 16 1HG THR 16 -3.076 7.634 11.375 116 HG21 THR 16 3HG2 THR 16 -1.357 4.928 10.793 117 HG22 THR 16 1HG2 THR 16 -2.696 3.913 11.325 118 HG23 THR 16 2HG2 THR 16 -2.164 5.265 12.324 119 H LEU 17 H LEU 17 -2.133 3.242 9.025 120 HA LEU 17 HA LEU 17 -4.484 1.469 9.149 121 HB2 LEU 17 1HB LEU 17 -1.815 0.950 7.847 122 HB3 LEU 17 2HB LEU 17 -3.177 -0.168 7.895 123 HG LEU 17 HG LEU 17 -3.287 2.517 6.533 124 HD11 LEU 17 1HD1 LEU 17 -3.006 -0.058 5.053 125 HD12 LEU 17 2HD1 LEU 17 -1.568 0.758 5.665 126 HD13 LEU 17 3HD1 LEU 17 -2.637 1.586 4.533 127 HD21 LEU 17 3HD2 LEU 17 -5.398 1.283 7.281 128 HD22 LEU 17 1HD2 LEU 17 -4.996 0.100 6.036 129 HD23 LEU 17 2HD2 LEU 17 -5.299 1.780 5.591 130 H LEU 18 H LEU 18 -4.624 0.171 10.854 131 HA LEU 18 HA LEU 18 -2.223 -0.216 12.512 132 HB2 LEU 18 1HB LEU 18 -4.635 0.817 13.237 133 HB3 LEU 18 2HB LEU 18 -4.835 -0.878 13.673 134 HG LEU 18 HG LEU 18 -2.757 1.042 14.714 135 HD11 LEU 18 1HD1 LEU 18 -3.885 0.243 16.895 136 HD12 LEU 18 2HD1 LEU 18 -5.212 -0.245 15.841 137 HD13 LEU 18 3HD1 LEU 18 -4.707 1.444 15.899 138 HD21 LEU 18 3HD2 LEU 18 -2.228 -0.988 16.209 139 HD22 LEU 18 1HD2 LEU 18 -1.569 -0.953 14.574 140 HD23 LEU 18 2HD2 LEU 18 -2.987 -1.938 14.932 141 H VAL 19 H VAL 19 -1.585 -2.239 13.107 142 HA VAL 19 HA VAL 19 -3.258 -4.541 12.560 143 HB VAL 19 HB VAL 19 -1.291 -5.622 11.280 144 HG11 VAL 19 1HG1 VAL 19 -2.551 -3.576 9.555 145 HG12 VAL 19 2HG1 VAL 19 -2.468 -5.329 9.365 146 HG13 VAL 19 3HG1 VAL 19 -3.635 -4.616 10.479 147 HG21 VAL 19 3HG2 VAL 19 0.166 -4.199 10.073 148 HG22 VAL 19 1HG2 VAL 19 -0.729 -2.758 10.553 149 HG23 VAL 19 2HG2 VAL 19 0.217 -3.647 11.747 150 HA PRO 20 HA PRO 20 -1.113 -6.082 16.078 151 HB2 PRO 20 1HB PRO 20 -1.543 -8.741 15.742 152 HB3 PRO 20 2HB PRO 20 -2.809 -7.621 16.258 153 HG2 PRO 20 1HG PRO 20 -2.262 -8.737 13.535 154 HG3 PRO 20 2HG PRO 20 -3.814 -8.525 14.366 155 HD2 PRO 20 1HD PRO 20 -2.927 -6.802 12.474 156 HD3 PRO 20 2HD PRO 20 -3.930 -6.282 13.844 157 H ASP 21 H ASP 21 -0.119 -6.665 12.897 158 HA ASP 21 HA ASP 21 2.216 -8.235 13.701 159 HB2 ASP 21 1HB ASP 21 0.815 -7.706 11.135 160 HB3 ASP 21 2HB ASP 21 2.558 -7.947 11.053 161 H GLY 22 H GLY 22 1.376 -5.151 12.165 162 HA2 GLY 22 1HA GLY 22 4.016 -4.137 12.972 163 HA3 GLY 22 2HA GLY 22 3.491 -3.928 11.308 164 H ARG 23 H ARG 23 3.549 -1.677 11.449 165 HA ARG 23 HA ARG 23 1.155 -0.507 12.567 166 HB2 ARG 23 1HB ARG 23 3.335 -0.501 14.207 167 HB3 ARG 23 2HB ARG 23 3.542 1.025 13.359 168 HG2 ARG 23 1HG ARG 23 1.113 0.170 14.920 169 HG3 ARG 23 2HG ARG 23 2.323 1.352 15.423 170 HD2 ARG 23 1HD ARG 23 1.488 2.202 12.905 171 HD3 ARG 23 2HD ARG 23 0.013 1.685 13.720 172 HE ARG 23 HE ARG 23 1.511 4.027 14.263 173 HH11 ARG 23 1HH1 ARG 23 -0.336 1.522 15.823 174 HH12 ARG 23 2HH1 ARG 23 -0.793 2.515 17.167 175 HH21 ARG 23 1HH2 ARG 23 0.916 5.344 16.027 176 HH22 ARG 23 2HH2 ARG 23 -0.081 4.689 17.281 177 H LEU 24 H LEU 24 0.606 0.045 10.473 178 HA LEU 24 HA LEU 24 2.446 1.686 8.918 179 HB2 LEU 24 1HB LEU 24 -0.054 0.184 8.364 180 HB3 LEU 24 2HB LEU 24 0.300 1.584 7.354 181 HG LEU 24 HG LEU 24 2.667 0.143 7.349 182 HD11 LEU 24 1HD1 LEU 24 0.751 -1.639 8.225 183 HD12 LEU 24 2HD1 LEU 24 2.297 -2.048 7.483 184 HD13 LEU 24 3HD1 LEU 24 0.843 -1.944 6.490 185 HD21 LEU 24 3HD2 LEU 24 1.537 -0.602 5.031 186 HD22 LEU 24 1HD2 LEU 24 2.177 1.015 5.324 187 HD23 LEU 24 2HD2 LEU 24 0.448 0.709 5.486 188 H ALA 25 H ALA 25 1.565 3.650 7.834 189 HA ALA 25 HA ALA 25 -0.685 5.008 8.915 190 HB1 ALA 25 1HB ALA 25 1.303 5.086 10.685 191 HB2 ALA 25 2HB ALA 25 1.780 6.459 9.685 192 HB3 ALA 25 3HB ALA 25 0.190 6.434 10.449 193 H LEU 26 H LEU 26 -1.349 5.858 7.049 194 HA LEU 26 HA LEU 26 0.350 6.611 4.924 195 HB2 LEU 26 1HB LEU 26 -2.521 7.315 5.505 196 HB3 LEU 26 2HB LEU 26 -1.696 7.691 3.994 197 HG LEU 26 HG LEU 26 -1.438 4.893 4.546 198 HD11 LEU 26 1HD1 LEU 26 -4.300 5.782 4.346 199 HD12 LEU 26 2HD1 LEU 26 -3.532 5.391 5.884 200 HD13 LEU 26 3HD1 LEU 26 -3.671 4.159 4.630 201 HD21 LEU 26 3HD2 LEU 26 -2.744 4.812 2.365 202 HD22 LEU 26 1HD2 LEU 26 -1.209 5.679 2.344 203 HD23 LEU 26 2HD2 LEU 26 -2.726 6.576 2.416 204 H THR 27 H THR 27 1.794 8.200 5.144 205 HA THR 27 HA THR 27 1.481 10.435 6.853 206 HB THR 27 HB THR 27 3.476 11.355 5.661 207 HG1 THR 27 1HG THR 27 4.454 9.882 4.118 208 HG21 THR 27 3HG2 THR 27 4.358 8.613 6.111 209 HG22 THR 27 1HG2 THR 27 3.312 9.217 7.395 210 HG23 THR 27 2HG2 THR 27 4.784 10.092 6.971 211 H ALA 28 H ALA 28 1.519 10.249 3.287 212 HA ALA 28 HA ALA 28 -0.699 11.884 2.872 213 HB1 ALA 28 1HB ALA 28 1.390 13.405 3.823 214 HB2 ALA 28 2HB ALA 28 1.481 13.636 2.076 215 HB3 ALA 28 3HB ALA 28 -0.013 14.005 2.938 216 H LEU 29 H LEU 29 -1.152 10.560 1.171 217 HA LEU 29 HA LEU 29 0.649 9.645 -0.758 218 HB2 LEU 29 1HB LEU 29 -2.303 10.159 -1.091 219 HB3 LEU 29 2HB LEU 29 -1.307 9.120 -2.108 220 HG LEU 29 HG LEU 29 -1.421 8.478 0.786 221 HD11 LEU 29 1HD1 LEU 29 -3.751 9.003 0.288 222 HD12 LEU 29 2HD1 LEU 29 -3.524 7.272 0.530 223 HD13 LEU 29 3HD1 LEU 29 -3.705 7.917 -1.101 224 HD21 LEU 29 3HD2 LEU 29 -0.514 6.599 0.033 225 HD22 LEU 29 1HD2 LEU 29 -0.526 7.273 -1.597 226 HD23 LEU 29 2HD2 LEU 29 -1.895 6.318 -1.028 227 H HIS 30 H HIS 30 1.350 10.413 -2.694 228 HA HIS 30 HA HIS 30 0.353 13.025 -3.590 229 HB2 HIS 30 1HB HIS 30 3.279 12.277 -3.411 230 HB3 HIS 30 2HB HIS 30 2.632 13.795 -4.027 231 HD1 HIS 30 1HD HIS 30 0.793 14.764 -1.938 232 HD2 HIS 30 2HD HIS 30 4.320 12.788 -0.980 233 HE1 HIS 30 1HE HIS 30 1.334 15.457 0.418 234 H LYS 31 H LYS 31 0.249 13.305 -5.778 235 HA LYS 31 HA LYS 31 0.579 10.907 -7.387 236 HB2 LYS 31 1HB LYS 31 -0.803 13.537 -7.753 237 HB3 LYS 31 2HB LYS 31 -0.412 12.568 -9.168 238 HG2 LYS 31 1HG LYS 31 -1.574 10.702 -7.601 239 HG3 LYS 31 2HG LYS 31 -2.444 12.150 -7.090 240 HD2 LYS 31 1HD LYS 31 -3.704 11.284 -8.874 241 HD3 LYS 31 2HD LYS 31 -2.785 12.619 -9.574 242 HE2 LYS 31 1HE LYS 31 -1.107 10.987 -10.375 243 HE3 LYS 31 2HE LYS 31 -2.115 9.682 -9.751 244 HZ1 LYS 31 3HZ LYS 31 -3.008 11.645 -11.790 245 HZ2 LYS 31 1HZ LYS 31 -3.840 10.265 -11.274 246 HZ3 LYS 31 2HZ LYS 31 -2.404 10.107 -12.153 247 H GLY 32 H GLY 32 2.179 10.560 -8.800 248 HA2 GLY 32 1HA GLY 32 3.953 12.837 -9.440 249 HA3 GLY 32 2HA GLY 32 4.561 11.221 -9.112 250 H LYS 33 H LYS 33 5.616 11.515 -11.217 251 HA LYS 33 HA LYS 33 3.778 10.876 -13.431 252 HB2 LYS 33 1HB LYS 33 5.146 12.068 -14.948 253 HB3 LYS 33 2HB LYS 33 4.962 13.121 -13.551 254 HG2 LYS 33 1HG LYS 33 7.164 12.463 -12.748 255 HG3 LYS 33 2HG LYS 33 7.350 11.378 -14.127 256 HD2 LYS 33 1HD LYS 33 6.876 13.534 -15.522 257 HD3 LYS 33 2HD LYS 33 7.366 14.366 -14.044 258 HE2 LYS 33 1HE LYS 33 9.126 12.173 -14.929 259 HE3 LYS 33 2HE LYS 33 9.078 13.586 -15.982 260 HZ1 LYS 33 3HZ LYS 33 10.237 13.287 -13.360 261 HZ2 LYS 33 1HZ LYS 33 9.310 14.691 -13.537 262 HZ3 LYS 33 2HZ LYS 33 10.603 14.394 -14.586 263 H ASP 34 H ASP 34 4.341 9.228 -14.825 264 HA ASP 34 HA ASP 34 6.595 7.551 -13.939 265 HB2 ASP 34 1HB ASP 34 5.376 5.643 -14.445 266 HB3 ASP 34 2HB ASP 34 4.115 6.725 -13.860 267 H TYR 35 H TYR 35 6.627 5.833 -16.155 268 HA TYR 35 HA TYR 35 8.404 7.109 -17.860 269 HB2 TYR 35 1HB TYR 35 7.853 5.160 -19.441 270 HB3 TYR 35 2HB TYR 35 8.480 4.760 -17.846 271 HD1 TYR 35 2HD TYR 35 5.307 5.080 -19.763 272 HD2 TYR 35 1HD TYR 35 7.299 3.308 -16.448 273 HE1 TYR 35 2HE TYR 35 3.350 3.647 -19.361 274 HE2 TYR 35 1HE TYR 35 5.347 1.868 -16.037 275 HH TYR 35 HH TYR 35 2.336 2.392 -17.508 276 H GLN 36 H GLN 36 4.919 6.841 -18.035 277 HA GLN 36 HA GLN 36 4.884 8.142 -20.654 278 HB2 GLN 36 1HB GLN 36 2.903 6.607 -19.039 279 HB3 GLN 36 2HB GLN 36 2.294 7.802 -20.176 280 HG2 GLN 36 1HG GLN 36 4.202 6.351 -21.598 281 HG3 GLN 36 2HG GLN 36 3.306 5.156 -20.661 282 HE21 GLN 36 1HE2 GLN 36 0.824 5.796 -20.648 283 HE22 GLN 36 2HE2 GLN 36 0.164 6.036 -22.226 284 H GLY 37 H GLY 37 5.583 9.421 -17.990 285 HA2 GLY 37 1HA GLY 37 4.994 11.287 -16.735 286 HA3 GLY 37 2HA GLY 37 4.876 11.978 -18.346 287 H LYS 38 H LYS 38 2.891 9.832 -16.299 288 HA LYS 38 HA LYS 38 0.778 11.631 -15.957 289 HB2 LYS 38 1HB LYS 38 0.799 10.235 -18.513 290 HB3 LYS 38 2HB LYS 38 -0.668 9.917 -17.596 291 HG2 LYS 38 1HG LYS 38 -1.344 12.118 -17.653 292 HG3 LYS 38 2HG LYS 38 0.294 12.723 -17.913 293 HD2 LYS 38 1HD LYS 38 -1.289 11.142 -19.937 294 HD3 LYS 38 2HD LYS 38 -1.165 12.902 -19.917 295 HE2 LYS 38 1HE LYS 38 1.348 12.582 -20.023 296 HE3 LYS 38 2HE LYS 38 1.020 10.886 -20.379 297 HZ1 LYS 38 3HZ LYS 38 -0.576 12.316 -22.101 298 HZ2 LYS 38 1HZ LYS 38 0.850 11.491 -22.491 299 HZ3 LYS 38 2HZ LYS 38 0.903 13.138 -22.109 300 HA PRO 39 HA PRO 39 -0.895 7.299 -14.753 301 HB2 PRO 39 1HB PRO 39 0.342 5.105 -15.768 302 HB3 PRO 39 2HB PRO 39 -0.979 5.935 -16.600 303 HG2 PRO 39 1HG PRO 39 1.972 6.145 -17.052 304 HG3 PRO 39 2HG PRO 39 0.663 6.038 -18.243 305 HD2 PRO 39 1HD PRO 39 1.854 8.381 -17.594 306 HD3 PRO 39 2HD PRO 39 0.144 8.276 -18.060 307 H MET 40 H MET 40 0.201 8.114 -12.844 308 HA MET 40 HA MET 40 2.094 6.187 -11.810 309 HB2 MET 40 1HB MET 40 3.248 8.299 -12.986 310 HB3 MET 40 2HB MET 40 2.948 9.004 -11.403 311 HG2 MET 40 1HG MET 40 4.177 6.328 -11.410 312 HG3 MET 40 2HG MET 40 5.167 7.640 -12.045 313 HE1 MET 40 3HE MET 40 4.647 6.427 -7.860 314 HE2 MET 40 1HE MET 40 4.198 5.617 -9.362 315 HE3 MET 40 2HE MET 40 5.894 5.955 -9.015 316 H PHE 41 H PHE 41 2.443 6.440 -9.480 317 HA PHE 41 HA PHE 41 0.911 8.295 -7.963 318 HB2 PHE 41 1HB PHE 41 -1.049 7.138 -8.348 319 HB3 PHE 41 2HB PHE 41 -0.227 5.590 -8.513 320 HD1 PHE 41 2HD PHE 41 -0.431 8.169 -5.820 321 HD2 PHE 41 1HD PHE 41 -0.916 4.089 -6.931 322 HE1 PHE 41 2HE PHE 41 -1.028 7.612 -3.499 323 HE2 PHE 41 1HE PHE 41 -1.514 3.525 -4.612 324 HZ PHE 41 HZ PHE 41 -1.570 5.287 -2.892 325 H TYR 42 H TYR 42 1.850 8.516 -6.034 326 HA TYR 42 HA TYR 42 3.717 6.416 -5.170 327 HB2 TYR 42 1HB TYR 42 3.631 9.387 -4.677 328 HB3 TYR 42 2HB TYR 42 4.636 8.315 -3.709 329 HD1 TYR 42 2HD TYR 42 5.954 6.537 -5.383 330 HD2 TYR 42 1HD TYR 42 4.799 10.530 -6.292 331 HE1 TYR 42 2HE TYR 42 7.727 6.657 -7.083 332 HE2 TYR 42 1HE TYR 42 6.568 10.660 -7.996 333 HH TYR 42 HH TYR 42 8.088 9.492 -9.165 334 H VAL 43 H VAL 43 3.392 5.339 -3.327 335 HA VAL 43 HA VAL 43 1.054 6.045 -1.716 336 HB VAL 43 HB VAL 43 2.732 3.532 -1.674 337 HG11 VAL 43 1HG1 VAL 43 0.085 3.251 -0.606 338 HG12 VAL 43 2HG1 VAL 43 1.640 2.925 0.163 339 HG13 VAL 43 3HG1 VAL 43 0.940 4.543 0.236 340 HG21 VAL 43 3HG2 VAL 43 1.419 2.651 -3.263 341 HG22 VAL 43 1HG2 VAL 43 -0.042 3.371 -2.586 342 HG23 VAL 43 2HG2 VAL 43 1.003 4.323 -3.640 343 H LEU 44 H LEU 44 2.120 7.847 -0.677 344 HA LEU 44 HA LEU 44 4.457 7.519 0.897 345 HB2 LEU 44 1HB LEU 44 2.273 9.581 0.860 346 HB3 LEU 44 2HB LEU 44 3.620 9.660 1.994 347 HG LEU 44 HG LEU 44 4.067 11.132 0.158 348 HD11 LEU 44 1HD1 LEU 44 5.830 9.389 1.093 349 HD12 LEU 44 2HD1 LEU 44 6.224 10.514 -0.206 350 HD13 LEU 44 3HD1 LEU 44 5.803 8.845 -0.585 351 HD21 LEU 44 3HD2 LEU 44 3.802 10.651 -2.058 352 HD22 LEU 44 1HD2 LEU 44 2.547 9.614 -1.380 353 HD23 LEU 44 2HD2 LEU 44 4.106 8.928 -1.837 354 H PHE 45 H PHE 45 4.096 5.642 2.141 355 HA PHE 45 HA PHE 45 2.136 5.962 4.316 356 HB2 PHE 45 1HB PHE 45 2.020 3.572 4.493 357 HB3 PHE 45 2HB PHE 45 1.818 3.989 2.794 358 HD1 PHE 45 2HD PHE 45 4.191 2.663 5.287 359 HD2 PHE 45 1HD PHE 45 3.338 3.227 1.156 360 HE1 PHE 45 2HE PHE 45 6.037 1.146 4.703 361 HE2 PHE 45 1HE PHE 45 5.183 1.711 0.564 362 HZ PHE 45 HZ PHE 45 6.536 0.669 2.339 363 H GLU 46 H GLU 46 2.866 4.591 6.314 364 HA GLU 46 HA GLU 46 5.743 4.894 6.780 365 HB2 GLU 46 1HB GLU 46 4.701 6.937 7.630 366 HB3 GLU 46 2HB GLU 46 3.585 5.982 8.595 367 HG2 GLU 46 1HG GLU 46 6.341 5.287 9.135 368 HG3 GLU 46 2HG GLU 46 6.025 7.000 9.402 369 H LEU 47 H LEU 47 5.765 2.592 6.624 370 HA LEU 47 HA LEU 47 4.278 1.065 8.593 371 HB2 LEU 47 1HB LEU 47 4.486 0.128 6.390 372 HB3 LEU 47 2HB LEU 47 6.242 0.261 6.455 373 HG LEU 47 HG LEU 47 5.107 -2.049 6.790 374 HD11 LEU 47 1HD1 LEU 47 7.547 -1.082 7.361 375 HD12 LEU 47 2HD1 LEU 47 7.065 -2.752 7.657 376 HD13 LEU 47 3HD1 LEU 47 7.031 -1.578 8.973 377 HD21 LEU 47 3HD2 LEU 47 5.096 -1.371 9.673 378 HD22 LEU 47 1HD2 LEU 47 4.140 -2.553 8.780 379 HD23 LEU 47 2HD2 LEU 47 3.713 -0.843 8.714 380 H THR 48 H THR 48 5.007 0.741 10.577 381 HA THR 48 HA THR 48 7.861 1.096 11.132 382 HB THR 48 HB THR 48 5.806 0.695 13.276 383 HG1 THR 48 1HG THR 48 6.336 3.157 11.934 384 HG21 THR 48 3HG2 THR 48 8.373 2.267 13.056 385 HG22 THR 48 1HG2 THR 48 8.105 0.793 13.985 386 HG23 THR 48 2HG2 THR 48 7.309 2.293 14.462 387 H ASN 49 H ASN 49 9.119 -0.628 11.323 388 HA ASN 49 HA ASN 49 8.051 -3.277 11.420 389 HB2 ASN 49 1HB ASN 49 10.251 -2.451 10.323 390 HB3 ASN 49 2HB ASN 49 10.935 -2.603 11.939 391 HD21 ASN 49 1HD2 ASN 49 12.150 -4.355 11.921 392 HD22 ASN 49 2HD2 ASN 49 11.670 -5.912 11.347 393 H THR 50 H THR 50 6.818 -2.865 13.450 394 HA THR 50 HA THR 50 8.005 -2.449 15.939 395 HB THR 50 HB THR 50 5.541 -2.410 15.479 396 HG1 THR 50 1HG THR 50 6.036 -2.400 17.615 397 HG21 THR 50 3HG2 THR 50 4.357 -4.244 14.940 398 HG22 THR 50 1HG2 THR 50 5.240 -5.265 16.074 399 HG23 THR 50 2HG2 THR 50 5.917 -4.926 14.481 400 H THR 51 H THR 51 8.060 -5.205 13.895 401 HA THR 51 HA THR 51 8.404 -7.262 15.772 402 HB THR 51 HB THR 51 9.315 -8.590 13.992 403 HG1 THR 51 1HG THR 51 9.442 -6.448 12.194 404 HG21 THR 51 3HG2 THR 51 7.270 -6.664 12.881 405 HG22 THR 51 1HG2 THR 51 6.923 -8.109 13.830 406 HG23 THR 51 2HG2 THR 51 7.642 -8.259 12.227 407 H GLU 52 H GLU 52 10.797 -8.504 15.144 408 HA GLU 52 HA GLU 52 12.858 -6.614 16.052 409 HB2 GLU 52 1HB GLU 52 13.662 -8.131 17.709 410 HB3 GLU 52 2HB GLU 52 11.931 -7.960 17.960 411 HG2 GLU 52 1HG GLU 52 11.791 -10.088 16.461 412 HG3 GLU 52 2HG GLU 52 13.475 -10.293 16.939 413 H LYS 53 H LYS 53 12.282 -7.738 13.427 414 HA LYS 53 HA LYS 53 14.728 -9.332 13.023 415 HB2 LYS 53 1HB LYS 53 12.208 -9.301 11.351 416 HB3 LYS 53 2HB LYS 53 13.651 -10.243 11.001 417 HG2 LYS 53 1HG LYS 53 13.023 -10.958 13.592 418 HG3 LYS 53 2HG LYS 53 11.452 -10.809 12.801 419 HD2 LYS 53 1HD LYS 53 11.865 -12.528 11.351 420 HD3 LYS 53 2HD LYS 53 13.609 -12.254 11.353 421 HE2 LYS 53 1HE LYS 53 13.383 -14.253 12.516 422 HE3 LYS 53 2HE LYS 53 13.510 -13.053 13.800 423 HZ1 LYS 53 3HZ LYS 53 11.172 -14.598 12.928 424 HZ2 LYS 53 1HZ LYS 53 10.929 -13.067 13.606 425 HZ3 LYS 53 2HZ LYS 53 11.720 -14.270 14.494 426 H THR 54 H THR 54 15.863 -8.975 10.992 427 HA THR 54 HA THR 54 15.605 -6.183 10.083 428 HB THR 54 HB THR 54 18.129 -7.785 9.792 429 HG1 THR 54 1HG THR 54 17.400 -6.199 12.048 430 HG21 THR 54 3HG2 THR 54 17.434 -4.856 9.888 431 HG22 THR 54 1HG2 THR 54 18.153 -5.762 8.557 432 HG23 THR 54 2HG2 THR 54 19.091 -5.448 10.018 433 H GLN 55 H GLN 55 14.360 -8.756 9.060 434 HA GLN 55 HA GLN 55 15.531 -9.459 6.605 435 HB2 GLN 55 1HB GLN 55 13.401 -10.481 6.062 436 HB3 GLN 55 2HB GLN 55 13.796 -10.799 7.746 437 HG2 GLN 55 1HG GLN 55 12.336 -8.509 7.941 438 HG3 GLN 55 2HG GLN 55 11.562 -9.322 6.582 439 HE21 GLN 55 1HE2 GLN 55 10.910 -8.801 9.534 440 HE22 GLN 55 2HE2 GLN 55 10.352 -10.336 10.095 441 H ASN 56 H ASN 56 13.750 -9.194 4.608 442 HA ASN 56 HA ASN 56 14.277 -6.726 3.502 443 HB2 ASN 56 1HB ASN 56 12.221 -8.828 2.946 444 HB3 ASN 56 2HB ASN 56 12.117 -7.288 2.098 445 HD21 ASN 56 1HD2 ASN 56 14.657 -6.633 1.594 446 HD22 ASN 56 2HD2 ASN 56 15.415 -7.820 0.593 447 H ILE 57 H ILE 57 12.491 -5.156 2.742 448 HA ILE 57 HA ILE 57 11.147 -4.191 5.146 449 HB ILE 57 HB ILE 57 11.433 -2.818 2.472 450 HG12 ILE 57 1HG1 ILE 57 12.998 -1.861 4.779 451 HG13 ILE 57 2HG1 ILE 57 13.492 -3.431 4.154 452 HG21 ILE 57 1HG2 ILE 57 9.710 -2.233 4.503 453 HG22 ILE 57 2HG2 ILE 57 11.098 -1.222 4.902 454 HG23 ILE 57 3HG2 ILE 57 10.320 -1.070 3.326 455 HD11 ILE 57 3HD1 ILE 57 14.755 -1.600 3.152 456 HD12 ILE 57 1HD1 ILE 57 13.807 -2.475 1.950 457 HD13 ILE 57 2HD1 ILE 57 13.256 -0.906 2.536 458 H GLN 58 H GLN 58 10.332 -4.585 1.693 459 HA GLN 58 HA GLN 58 7.551 -4.261 2.065 460 HB2 GLN 58 1HB GLN 58 9.356 -4.959 -0.126 461 HB3 GLN 58 2HB GLN 58 7.800 -5.772 -0.232 462 HG2 GLN 58 1HG GLN 58 8.193 -3.420 -1.324 463 HG3 GLN 58 2HG GLN 58 6.651 -3.840 -0.578 464 HE21 GLN 58 1HE2 GLN 58 5.908 -2.023 0.274 465 HE22 GLN 58 2HE2 GLN 58 6.783 -0.976 1.333 466 H LEU 59 H LEU 59 9.590 -6.795 2.892 467 HA LEU 59 HA LEU 59 8.210 -9.110 2.344 468 HB2 LEU 59 1HB LEU 59 10.304 -8.317 4.059 469 HB3 LEU 59 2HB LEU 59 9.158 -9.226 5.041 470 HG LEU 59 HG LEU 59 10.607 -10.188 2.577 471 HD11 LEU 59 1HD1 LEU 59 11.969 -10.152 4.588 472 HD12 LEU 59 2HD1 LEU 59 11.583 -11.810 4.130 473 HD13 LEU 59 3HD1 LEU 59 10.726 -11.043 5.466 474 HD21 LEU 59 3HD2 LEU 59 9.478 -12.395 3.319 475 HD22 LEU 59 1HD2 LEU 59 8.550 -11.235 2.369 476 HD23 LEU 59 2HD2 LEU 59 8.310 -11.338 4.114 477 H MET 60 H MET 60 7.406 -6.586 4.587 478 HA MET 60 HA MET 60 5.230 -8.208 5.708 479 HB2 MET 60 1HB MET 60 6.933 -6.094 6.748 480 HB3 MET 60 2HB MET 60 5.229 -5.748 7.012 481 HG2 MET 60 1HG MET 60 5.417 -8.377 7.744 482 HG3 MET 60 2HG MET 60 6.962 -7.718 8.274 483 HE1 MET 60 3HE MET 60 6.892 -5.152 9.378 484 HE2 MET 60 1HE MET 60 5.427 -4.566 8.590 485 HE3 MET 60 2HE MET 60 5.533 -4.585 10.350 486 H ILE 61 H ILE 61 5.913 -5.281 3.897 487 HA ILE 61 HA ILE 61 3.323 -4.178 3.923 488 HB ILE 61 HB ILE 61 5.590 -3.901 1.959 489 HG12 ILE 61 1HG1 ILE 61 5.683 -2.950 4.343 490 HG13 ILE 61 2HG1 ILE 61 6.030 -1.844 3.018 491 HG21 ILE 61 1HG2 ILE 61 4.211 -1.853 1.206 492 HG22 ILE 61 2HG2 ILE 61 3.775 -3.444 0.585 493 HG23 ILE 61 3HG2 ILE 61 2.840 -2.722 1.894 494 HD11 ILE 61 3HD1 ILE 61 4.200 -0.594 3.409 495 HD12 ILE 61 1HD1 ILE 61 3.222 -1.978 3.896 496 HD13 ILE 61 2HD1 ILE 61 4.371 -1.267 5.030 497 H GLN 62 H GLN 62 4.750 -6.754 2.077 498 HA GLN 62 HA GLN 62 2.753 -6.796 0.025 499 HB2 GLN 62 1HB GLN 62 5.054 -8.507 0.816 500 HB3 GLN 62 2HB GLN 62 3.793 -9.247 -0.161 501 HG2 GLN 62 1HG GLN 62 4.112 -7.144 -1.663 502 HG3 GLN 62 2HG GLN 62 5.672 -7.041 -0.849 503 HE21 GLN 62 1HE2 GLN 62 7.245 -8.524 -1.301 504 HE22 GLN 62 2HE2 GLN 62 7.117 -9.687 -2.572 505 H SER 63 H SER 63 2.629 -7.551 3.238 506 HA SER 63 HA SER 63 0.621 -9.666 2.845 507 HB2 SER 63 1HB SER 63 2.587 -10.168 4.335 508 HB3 SER 63 2HB SER 63 2.003 -8.914 5.428 509 HG SER 63 HG SER 63 1.337 -11.274 5.705 510 H PHE 64 H PHE 64 1.146 -6.441 3.971 511 HA PHE 64 HA PHE 64 -1.414 -6.287 5.330 512 HB2 PHE 64 1HB PHE 64 0.728 -4.221 4.799 513 HB3 PHE 64 2HB PHE 64 -0.765 -3.884 5.669 514 HD1 PHE 64 1HD PHE 64 -1.044 -6.322 7.295 515 HD2 PHE 64 2HD PHE 64 2.392 -3.979 6.394 516 HE1 PHE 64 1HE PHE 64 0.008 -7.067 9.391 517 HE2 PHE 64 2HE PHE 64 3.451 -4.720 8.487 518 HZ PHE 64 HZ PHE 64 2.260 -6.266 9.989 519 H MET 65 H MET 65 -0.001 -4.045 2.963 520 HA MET 65 HA MET 65 -2.606 -3.457 1.892 521 HB2 MET 65 1HB MET 65 -0.601 -1.848 2.173 522 HB3 MET 65 2HB MET 65 -0.006 -2.560 0.679 523 HG2 MET 65 1HG MET 65 -1.804 -1.737 -0.566 524 HG3 MET 65 2HG MET 65 -2.761 -1.403 0.876 525 HE1 MET 65 3HE MET 65 0.996 -0.475 -0.212 526 HE2 MET 65 1HE MET 65 -0.092 -0.258 -1.584 527 HE3 MET 65 2HE MET 65 0.658 1.145 -0.825 528 H GLU 66 H GLU 66 -3.241 -3.722 -0.306 529 HA GLU 66 HA GLU 66 -1.687 -5.424 -2.042 530 HB2 GLU 66 1HB GLU 66 -3.822 -6.503 -0.370 531 HB3 GLU 66 2HB GLU 66 -4.089 -6.801 -2.082 532 HG2 GLU 66 1HG GLU 66 -2.414 -8.281 -2.220 533 HG3 GLU 66 2HG GLU 66 -1.366 -7.354 -1.149 534 H VAL 67 H VAL 67 -1.815 -4.101 -3.756 535 HA VAL 67 HA VAL 67 -4.438 -3.034 -4.533 536 HB VAL 67 HB VAL 67 -1.827 -2.252 -5.799 537 HG11 VAL 67 1HG1 VAL 67 -2.980 -0.263 -6.418 538 HG12 VAL 67 2HG1 VAL 67 -4.033 -1.622 -6.819 539 HG13 VAL 67 3HG1 VAL 67 -4.346 -0.657 -5.375 540 HG21 VAL 67 3HG2 VAL 67 -3.040 -1.097 -3.289 541 HG22 VAL 67 1HG2 VAL 67 -1.503 -1.952 -3.418 542 HG23 VAL 67 2HG2 VAL 67 -1.706 -0.381 -4.194 543 H SER 68 H SER 68 -5.272 -3.333 -6.594 544 HA SER 68 HA SER 68 -3.863 -5.223 -8.344 545 HB2 SER 68 1HB SER 68 -6.712 -5.455 -7.367 546 HB3 SER 68 2HB SER 68 -6.109 -6.325 -8.777 547 HG SER 68 HG SER 68 -5.504 -6.668 -6.070 548 H GLN 69 H GLN 69 -6.677 -3.067 -8.056 549 HA GLN 69 HA GLN 69 -7.540 -1.510 -9.476 550 HB2 GLN 69 1HB GLN 69 -4.751 -1.647 -10.174 551 HB3 GLN 69 2HB GLN 69 -5.715 -1.379 -11.620 552 HG2 GLN 69 1HG GLN 69 -6.867 0.450 -10.155 553 HG3 GLN 69 2HG GLN 69 -5.377 0.348 -9.219 554 HE21 GLN 69 1HE2 GLN 69 -6.816 2.097 -11.488 555 HE22 GLN 69 2HE2 GLN 69 -5.453 2.630 -12.406 556 H THR 70 H THR 70 -9.091 -1.700 -10.977 557 HA THR 70 HA THR 70 -9.525 -4.192 -12.262 558 HB THR 70 HB THR 70 -10.943 -1.694 -13.122 559 HG1 THR 70 1HG THR 70 -12.289 -1.967 -11.251 560 HG21 THR 70 3HG2 THR 70 -11.443 -4.604 -13.078 561 HG22 THR 70 1HG2 THR 70 -11.973 -3.380 -14.231 562 HG23 THR 70 2HG2 THR 70 -12.826 -3.577 -12.701 563 H VAL 71 H VAL 71 -9.495 -4.723 -14.456 564 HA VAL 71 HA VAL 71 -8.632 -2.886 -16.467 565 HB VAL 71 HB VAL 71 -6.457 -3.208 -15.483 566 HG11 VAL 71 1HG1 VAL 71 -6.977 -5.330 -14.320 567 HG12 VAL 71 2HG1 VAL 71 -6.854 -6.173 -15.866 568 HG13 VAL 71 3HG1 VAL 71 -5.439 -5.373 -15.181 569 HG21 VAL 71 3HG2 VAL 71 -5.238 -3.996 -17.389 570 HG22 VAL 71 1HG2 VAL 71 -6.623 -4.933 -17.949 571 HG23 VAL 71 2HG2 VAL 71 -6.685 -3.171 -17.969 572 H HIS 72 H HIS 72 -9.526 -3.532 -18.308 573 HA HIS 72 HA HIS 72 -10.452 -4.832 -19.930 574 HB2 HIS 72 1HB HIS 72 -8.253 -6.374 -18.900 575 HB3 HIS 72 2HB HIS 72 -9.577 -7.450 -19.336 576 HD1 HIS 72 1HD HIS 72 -9.537 -8.177 -21.691 577 HD2 HIS 72 2HD HIS 72 -7.686 -4.492 -21.189 578 HE1 HIS 72 1HE HIS 72 -8.661 -7.549 -23.963 579 H GLY 73 H GLY 73 -11.447 -4.724 -16.991 580 HA2 GLY 73 1HA GLY 73 -13.677 -5.257 -16.363 581 HA3 GLY 73 2HA GLY 73 -13.620 -6.643 -17.442 582 H LYS 74 H LYS 74 -10.803 -6.363 -15.615 583 HA LYS 74 HA LYS 74 -11.756 -7.784 -13.291 584 HB2 LYS 74 1HB LYS 74 -10.389 -9.164 -15.542 585 HB3 LYS 74 2HB LYS 74 -9.895 -9.605 -13.913 586 HG2 LYS 74 1HG LYS 74 -12.739 -9.552 -14.015 587 HG3 LYS 74 2HG LYS 74 -12.136 -10.505 -15.372 588 HD2 LYS 74 1HD LYS 74 -10.877 -11.919 -13.897 589 HD3 LYS 74 2HD LYS 74 -11.251 -10.887 -12.514 590 HE2 LYS 74 1HE LYS 74 -13.353 -11.716 -12.293 591 HE3 LYS 74 2HE LYS 74 -13.550 -11.974 -14.025 592 HZ1 LYS 74 3HZ LYS 74 -13.394 -14.025 -12.590 593 HZ2 LYS 74 1HZ LYS 74 -11.757 -13.653 -12.375 594 HZ3 LYS 74 2HZ LYS 74 -12.355 -13.973 -13.924 595 H ALA 75 H ALA 75 -10.299 -7.759 -11.594 596 HA ALA 75 HA ALA 75 -8.380 -5.715 -11.566 597 HB1 ALA 75 1HB ALA 75 -8.411 -6.060 -9.366 598 HB2 ALA 75 2HB ALA 75 -9.612 -7.314 -9.675 599 HB3 ALA 75 3HB ALA 75 -7.905 -7.740 -9.545 600 H GLN 76 H GLN 76 -6.054 -6.179 -10.761 601 HA GLN 76 HA GLN 76 -4.856 -8.499 -12.058 602 HB2 GLN 76 1HB GLN 76 -3.298 -7.219 -13.359 603 HB3 GLN 76 2HB GLN 76 -4.920 -6.664 -13.751 604 HG2 GLN 76 1HG GLN 76 -4.647 -4.675 -12.518 605 HG3 GLN 76 2HG GLN 76 -3.184 -5.273 -11.738 606 HE21 GLN 76 1HE2 GLN 76 -3.530 -2.826 -13.206 607 HE22 GLN 76 2HE2 GLN 76 -2.431 -2.879 -14.537 608 H ASN 77 H ASN 77 -2.196 -7.695 -11.867 609 HA ASN 77 HA ASN 77 -1.883 -7.430 -8.949 610 HB2 ASN 77 1HB ASN 77 0.256 -8.697 -9.262 611 HB3 ASN 77 2HB ASN 77 -1.188 -9.623 -9.659 612 HD21 ASN 77 1HD2 ASN 77 -1.754 -9.822 -11.918 613 HD22 ASN 77 2HD2 ASN 77 -0.501 -9.821 -13.107 614 H LEU 78 H LEU 78 -1.816 -5.121 -9.169 615 HA LEU 78 HA LEU 78 -0.138 -3.647 -10.792 616 HB2 LEU 78 1HB LEU 78 -0.983 -3.097 -7.953 617 HB3 LEU 78 2HB LEU 78 -0.222 -1.913 -9.014 618 HG LEU 78 HG LEU 78 -2.989 -3.047 -9.120 619 HD11 LEU 78 1HD1 LEU 78 -1.964 -0.711 -8.158 620 HD12 LEU 78 2HD1 LEU 78 -3.633 -0.953 -8.672 621 HD13 LEU 78 3HD1 LEU 78 -2.461 -0.249 -9.786 622 HD21 LEU 78 3HD2 LEU 78 -1.510 -1.759 -11.411 623 HD22 LEU 78 1HD2 LEU 78 -3.247 -2.063 -11.360 624 HD23 LEU 78 2HD2 LEU 78 -2.115 -3.416 -11.348 625 H GLN 79 H GLN 79 1.962 -4.025 -11.091 626 HA GLN 79 HA GLN 79 3.637 -4.718 -8.789 627 HB2 GLN 79 1HB GLN 79 4.432 -4.756 -11.698 628 HB3 GLN 79 2HB GLN 79 5.253 -5.532 -10.350 629 HG2 GLN 79 1HG GLN 79 3.025 -6.836 -10.085 630 HG3 GLN 79 2HG GLN 79 2.746 -6.333 -11.751 631 HE21 GLN 79 1HE2 GLN 79 4.592 -8.337 -9.633 632 HE22 GLN 79 2HE2 GLN 79 5.404 -9.248 -10.855 633 H TYR 80 H TYR 80 6.095 -3.885 -9.604 634 HA TYR 80 HA TYR 80 6.279 -1.292 -8.714 635 HB2 TYR 80 1HB TYR 80 8.166 -2.943 -9.005 636 HB3 TYR 80 2HB TYR 80 8.184 -2.519 -10.713 637 HD1 TYR 80 1HD TYR 80 8.227 -0.781 -7.398 638 HD2 TYR 80 2HD TYR 80 9.733 -0.950 -11.374 639 HE1 TYR 80 1HE TYR 80 9.720 1.111 -6.907 640 HE2 TYR 80 2HE TYR 80 11.232 0.940 -10.893 641 HH TYR 80 HH TYR 80 11.310 2.863 -9.284 642 H ALA 81 H ALA 81 5.539 0.547 -9.514 643 HA ALA 81 HA ALA 81 4.741 0.776 -12.271 644 HB1 ALA 81 1HB ALA 81 4.781 3.240 -10.695 645 HB2 ALA 81 2HB ALA 81 3.457 2.472 -11.573 646 HB3 ALA 81 3HB ALA 81 3.874 1.923 -9.949 647 H VAL 82 H VAL 82 6.546 0.729 -13.566 648 HA VAL 82 HA VAL 82 8.982 1.978 -13.145 649 HB VAL 82 HB VAL 82 7.567 1.431 -15.756 650 HG11 VAL 82 1HG1 VAL 82 9.234 3.140 -16.121 651 HG12 VAL 82 2HG1 VAL 82 10.440 2.195 -15.246 652 HG13 VAL 82 3HG1 VAL 82 9.806 1.610 -16.784 653 HG21 VAL 82 3HG2 VAL 82 9.071 -0.193 -13.861 654 HG22 VAL 82 1HG2 VAL 82 8.000 -0.683 -15.174 655 HG23 VAL 82 2HG2 VAL 82 9.689 -0.301 -15.509 656 H LEU 83 H LEU 83 9.858 3.958 -13.688 657 HA LEU 83 HA LEU 83 8.065 6.013 -14.752 658 HB2 LEU 83 1HB LEU 83 9.269 7.507 -12.918 659 HB3 LEU 83 2HB LEU 83 7.750 6.668 -12.611 660 HG LEU 83 HG LEU 83 9.058 4.833 -11.542 661 HD11 LEU 83 1HD1 LEU 83 11.405 5.859 -10.779 662 HD12 LEU 83 2HD1 LEU 83 11.280 6.593 -12.378 663 HD13 LEU 83 3HD1 LEU 83 11.220 4.839 -12.206 664 HD21 LEU 83 3HD2 LEU 83 9.935 6.716 -9.714 665 HD22 LEU 83 1HD2 LEU 83 8.336 5.973 -9.770 666 HD23 LEU 83 2HD2 LEU 83 8.615 7.526 -10.560 667 H THR 84 H THR 84 10.830 4.426 -15.109 668 HA THR 84 HA THR 84 12.679 4.790 -16.396 669 HB THR 84 HB THR 84 12.800 6.602 -17.890 670 HG1 THR 84 1HG THR 84 11.316 8.481 -17.447 671 HG21 THR 84 3HG2 THR 84 10.438 6.907 -18.700 672 HG22 THR 84 1HG2 THR 84 9.906 6.015 -17.276 673 HG23 THR 84 2HG2 THR 84 10.935 5.231 -18.474 674 H ASP 85 H ASP 85 11.848 7.640 -14.435 675 HA ASP 85 HA ASP 85 14.045 7.419 -12.722 676 HB2 ASP 85 1HB ASP 85 14.676 8.612 -15.261 677 HB3 ASP 85 2HB ASP 85 14.850 9.815 -13.986 678 H SER 86 H SER 86 13.494 8.487 -10.941 679 HA SER 86 HA SER 86 12.169 11.068 -11.108 680 HB2 SER 86 1HB SER 86 10.659 8.709 -10.743 681 HB3 SER 86 2HB SER 86 10.728 9.502 -9.169 682 HG SER 86 HG SER 86 9.837 10.613 -11.623 683 HA PRO 87 HA PRO 87 14.440 11.935 -7.456 684 HB2 PRO 87 1HB PRO 87 12.772 13.626 -6.142 685 HB3 PRO 87 2HB PRO 87 13.653 14.088 -7.603 686 HG2 PRO 87 1HG PRO 87 10.807 13.209 -7.306 687 HG3 PRO 87 2HG PRO 87 11.475 14.525 -8.289 688 HD2 PRO 87 1HD PRO 87 10.804 12.121 -9.338 689 HD3 PRO 87 2HD PRO 87 12.142 13.100 -9.973 690 H PHE 88 H PHE 88 11.378 10.402 -7.261 691 HA PHE 88 HA PHE 88 11.561 9.948 -4.391 692 HB2 PHE 88 1HB PHE 88 9.483 9.490 -6.484 693 HB3 PHE 88 2HB PHE 88 9.437 8.494 -5.033 694 HD1 PHE 88 1HD PHE 88 10.398 12.063 -5.379 695 HD2 PHE 88 2HD PHE 88 7.571 9.256 -3.881 696 HE1 PHE 88 1HE PHE 88 9.241 13.873 -4.179 697 HE2 PHE 88 2HE PHE 88 6.409 11.062 -2.680 698 HZ PHE 88 HZ PHE 88 7.244 13.374 -2.828 699 H GLN 89 H GLN 89 13.668 8.872 -5.947 700 HA GLN 89 HA GLN 89 13.145 6.026 -6.199 701 HB2 GLN 89 1HB GLN 89 14.675 7.570 -7.698 702 HB3 GLN 89 2HB GLN 89 15.879 7.198 -6.471 703 HG2 GLN 89 1HG GLN 89 15.982 5.701 -8.422 704 HG3 GLN 89 2HG GLN 89 15.681 4.849 -6.908 705 HE21 GLN 89 1HE2 GLN 89 14.408 3.191 -7.297 706 HE22 GLN 89 2HE2 GLN 89 12.987 3.205 -8.279 707 H ASP 90 H ASP 90 14.490 8.241 -3.927 708 HA ASP 90 HA ASP 90 16.203 6.525 -2.506 709 HB2 ASP 90 1HB ASP 90 15.173 9.178 -2.215 710 HB3 ASP 90 2HB ASP 90 15.004 8.337 -0.676 711 H LYS 91 H LYS 91 12.744 6.882 -2.514 712 HA LYS 91 HA LYS 91 12.449 5.211 -0.139 713 HB2 LYS 91 1HB LYS 91 9.964 5.611 -0.619 714 HB3 LYS 91 2HB LYS 91 10.923 6.995 -0.110 715 HG2 LYS 91 1HG LYS 91 10.861 6.658 -3.000 716 HG3 LYS 91 2HG LYS 91 9.263 6.896 -2.290 717 HD2 LYS 91 1HD LYS 91 11.646 8.670 -1.768 718 HD3 LYS 91 2HD LYS 91 10.387 9.011 -2.958 719 HE2 LYS 91 1HE LYS 91 9.061 9.855 -1.386 720 HE3 LYS 91 2HE LYS 91 9.200 8.386 -0.421 721 HZ1 LYS 91 3HZ LYS 91 11.589 9.800 -0.163 722 HZ2 LYS 91 1HZ LYS 91 10.417 9.512 1.022 723 HZ3 LYS 91 2HZ LYS 91 10.331 10.907 0.069 724 H LEU 92 H LEU 92 12.144 5.068 -3.605 725 HA LEU 92 HA LEU 92 10.594 2.718 -3.793 726 HB2 LEU 92 1HB LEU 92 12.360 4.266 -5.602 727 HB3 LEU 92 2HB LEU 92 12.002 2.600 -6.055 728 HG LEU 92 HG LEU 92 9.776 3.046 -6.454 729 HD11 LEU 92 1HD1 LEU 92 8.979 3.951 -4.475 730 HD12 LEU 92 2HD1 LEU 92 8.754 5.267 -5.626 731 HD13 LEU 92 3HD1 LEU 92 10.120 5.296 -4.511 732 HD21 LEU 92 3HD2 LEU 92 11.462 4.416 -7.877 733 HD22 LEU 92 1HD2 LEU 92 10.777 5.804 -7.030 734 HD23 LEU 92 2HD2 LEU 92 9.737 4.763 -8.002 735 H ASP 93 H ASP 93 13.922 3.271 -3.061 736 HA ASP 93 HA ASP 93 14.756 0.567 -3.655 737 HB2 ASP 93 1HB ASP 93 16.094 3.004 -2.534 738 HB3 ASP 93 2HB ASP 93 16.856 1.427 -2.346 739 H ARG 94 H ARG 94 12.866 1.784 -1.320 740 HA ARG 94 HA ARG 94 14.022 0.294 0.906 741 HB2 ARG 94 1HB ARG 94 11.466 1.902 0.865 742 HB3 ARG 94 2HB ARG 94 12.350 1.344 2.279 743 HG2 ARG 94 1HG ARG 94 13.498 3.272 0.280 744 HG3 ARG 94 2HG ARG 94 12.606 3.776 1.716 745 HD2 ARG 94 1HD ARG 94 14.467 3.610 2.913 746 HD3 ARG 94 2HD ARG 94 14.535 1.887 2.547 747 HE ARG 94 HE ARG 94 15.581 3.268 0.362 748 HH11 ARG 94 1HH1 ARG 94 16.335 2.686 3.710 749 HH12 ARG 94 2HH1 ARG 94 18.047 2.826 3.484 750 HH21 ARG 94 1HH2 ARG 94 17.833 3.455 0.052 751 HH22 ARG 94 2HH2 ARG 94 18.898 3.265 1.403 752 H LEU 95 H LEU 95 12.919 -1.039 -1.495 753 HA LEU 95 HA LEU 95 10.773 -2.588 -0.199 754 HB2 LEU 95 1HB LEU 95 11.239 -2.499 -3.160 755 HB3 LEU 95 2HB LEU 95 9.796 -3.011 -2.286 756 HG LEU 95 HG LEU 95 10.749 -0.155 -2.333 757 HD11 LEU 95 1HD1 LEU 95 9.989 0.110 -4.396 758 HD12 LEU 95 2HD1 LEU 95 8.433 -0.585 -3.943 759 HD13 LEU 95 3HD1 LEU 95 9.734 -1.632 -4.509 760 HD21 LEU 95 3HD2 LEU 95 8.109 -1.447 -1.654 761 HD22 LEU 95 1HD2 LEU 95 8.408 0.290 -1.715 762 HD23 LEU 95 2HD2 LEU 95 9.240 -0.706 -0.521 763 H ALA 96 H ALA 96 13.941 -2.638 -1.389 764 HA ALA 96 HA ALA 96 13.939 -5.586 -1.429 765 HB1 ALA 96 1HB ALA 96 14.783 -5.336 -3.482 766 HB2 ALA 96 2HB ALA 96 15.143 -3.628 -3.225 767 HB3 ALA 96 3HB ALA 96 16.275 -4.861 -2.669 768 H ASP 97 H ASP 97 15.023 -2.812 0.174 769 HA ASP 97 HA ASP 97 17.417 -4.014 1.277 770 HB2 ASP 97 1HB ASP 97 16.348 -1.365 1.053 771 HB3 ASP 97 2HB ASP 97 16.693 -1.702 2.748 772 H GLU 98 H GLU 98 17.439 -3.300 3.879 773 HA GLU 98 HA GLU 98 15.473 -5.136 5.017 774 HB2 GLU 98 1HB GLU 98 17.964 -3.911 6.214 775 HB3 GLU 98 2HB GLU 98 16.917 -5.063 7.031 776 HG2 GLU 98 1HG GLU 98 17.534 -6.811 5.612 777 HG3 GLU 98 2HG GLU 98 18.210 -5.714 4.410 778 H ILE 99 H ILE 99 14.756 -4.537 7.324 779 HA ILE 99 HA ILE 99 13.775 -1.763 7.254 780 HB ILE 99 HB ILE 99 12.213 -2.955 9.125 781 HG12 ILE 99 1HG1 ILE 99 11.491 -5.135 8.097 782 HG13 ILE 99 2HG1 ILE 99 12.913 -5.054 7.064 783 HG21 ILE 99 1HG2 ILE 99 11.862 -2.668 6.158 784 HG22 ILE 99 2HG2 ILE 99 10.558 -3.233 7.201 785 HG23 ILE 99 3HG2 ILE 99 11.252 -1.630 7.446 786 HD11 ILE 99 3HD1 ILE 99 14.247 -5.801 8.676 787 HD12 ILE 99 1HD1 ILE 99 13.543 -4.723 9.881 788 HD13 ILE 99 2HD1 ILE 99 12.767 -6.264 9.515 789 H ASN 100 H ASN 100 13.232 -0.915 9.527 790 HA ASN 100 HA ASN 100 15.558 -1.430 11.253 791 HB2 ASN 100 1HB ASN 100 14.151 1.014 10.426 792 HB3 ASN 100 2HB ASN 100 14.492 0.934 12.152 793 HD21 ASN 100 1HD2 ASN 100 16.374 -0.404 9.491 794 HD22 ASN 100 2HD2 ASN 100 17.785 0.553 9.770 795 HA PRO 101 HA PRO 101 12.110 -3.155 13.716 796 HB2 PRO 101 1HB PRO 101 13.672 -4.953 15.019 797 HB3 PRO 101 2HB PRO 101 12.990 -5.257 13.417 798 HG2 PRO 101 1HG PRO 101 15.744 -4.352 14.162 799 HG3 PRO 101 2HG PRO 101 15.250 -5.556 12.958 800 HD2 PRO 101 1HD PRO 101 15.949 -3.028 12.287 801 HD3 PRO 101 2HD PRO 101 14.734 -3.955 11.382 802 H GLY 102 H GLY 102 11.774 -1.375 15.037 803 HA2 GLY 102 1HA GLY 102 11.830 -0.940 17.453 804 HA3 GLY 102 2HA GLY 102 13.566 -1.205 17.380 805 H GLU 103 H GLU 103 12.632 0.445 14.649 806 HA GLU 103 HA GLU 103 13.213 3.044 15.912 807 HB2 GLU 103 1HB GLU 103 14.918 1.832 14.252 808 HB3 GLU 103 2HB GLU 103 13.894 2.604 13.050 809 HG2 GLU 103 1HG GLU 103 15.140 4.415 13.303 810 HG3 GLU 103 2HG GLU 103 14.396 4.609 14.889 811 H THR 104 H THR 104 12.760 4.741 13.865 812 HA THR 104 HA THR 104 9.998 4.201 13.000 813 HB THR 104 HB THR 104 9.753 5.679 14.861 814 HG1 THR 104 1HG THR 104 8.768 7.411 13.814 815 HG21 THR 104 3HG2 THR 104 11.114 8.032 14.090 816 HG22 THR 104 1HG2 THR 104 12.272 6.708 13.978 817 HG23 THR 104 2HG2 THR 104 11.423 7.010 15.494 818 H ILE 105 H ILE 105 10.069 4.096 10.852 819 HA ILE 105 HA ILE 105 11.389 6.272 9.395 820 HB ILE 105 HB ILE 105 12.392 4.813 7.797 821 HG12 ILE 105 1HG1 ILE 105 12.145 2.215 8.744 822 HG13 ILE 105 2HG1 ILE 105 10.524 2.877 8.924 823 HG21 ILE 105 1HG2 ILE 105 13.223 3.267 10.145 824 HG22 ILE 105 2HG2 ILE 105 14.170 4.283 9.059 825 HG23 ILE 105 3HG2 ILE 105 13.245 5.015 10.370 826 HD11 ILE 105 3HD1 ILE 105 11.946 3.291 6.351 827 HD12 ILE 105 1HD1 ILE 105 11.281 1.698 6.711 828 HD13 ILE 105 2HD1 ILE 105 10.222 3.108 6.676 829 H GLN 106 H GLN 106 10.850 5.680 6.858 830 HA GLN 106 HA GLN 106 8.052 4.898 6.622 831 HB2 GLN 106 1HB GLN 106 8.949 7.519 5.448 832 HB3 GLN 106 2HB GLN 106 7.309 6.910 5.637 833 HG2 GLN 106 1HG GLN 106 7.562 7.107 8.087 834 HG3 GLN 106 2HG GLN 106 9.151 7.825 7.833 835 HE21 GLN 106 1HE2 GLN 106 8.279 9.642 9.004 836 HE22 GLN 106 2HE2 GLN 106 7.327 10.818 8.171 837 H GLY 107 H GLY 107 7.521 5.552 4.063 838 HA2 GLY 107 1HA GLY 107 9.558 5.204 2.177 839 HA3 GLY 107 2HA GLY 107 8.945 3.611 2.597 840 H ALA 108 H ALA 108 8.596 4.003 0.106 841 HA ALA 108 HA ALA 108 5.797 4.868 -0.197 842 HB1 ALA 108 1HB ALA 108 7.721 5.138 -2.466 843 HB2 ALA 108 2HB ALA 108 6.213 6.002 -2.162 844 HB3 ALA 108 3HB ALA 108 7.653 6.382 -1.217 845 H TYR 109 H TYR 109 5.331 4.097 -2.760 846 HA TYR 109 HA TYR 109 6.290 1.548 -3.473 847 HB2 TYR 109 1HB TYR 109 4.807 1.229 -1.288 848 HB3 TYR 109 2HB TYR 109 3.498 1.267 -2.463 849 HD1 TYR 109 2HD TYR 109 5.292 -0.046 -4.685 850 HD2 TYR 109 1HD TYR 109 4.350 -1.072 -0.664 851 HE1 TYR 109 2HE TYR 109 5.686 -2.418 -5.204 852 HE2 TYR 109 1HE TYR 109 4.744 -3.446 -1.172 853 HH TYR 109 HH TYR 109 6.361 -4.516 -3.819 854 HA PRO 110 HA PRO 110 4.038 3.762 -6.781 855 HB2 PRO 110 1HB PRO 110 5.758 3.000 -8.738 856 HB3 PRO 110 2HB PRO 110 6.055 4.389 -7.686 857 HG2 PRO 110 1HG PRO 110 7.149 1.609 -7.506 858 HG3 PRO 110 2HG PRO 110 7.985 3.157 -7.284 859 HD2 PRO 110 1HD PRO 110 7.164 1.633 -5.202 860 HD3 PRO 110 2HD PRO 110 7.217 3.406 -5.125 861 H TYR 111 H TYR 111 2.246 2.720 -7.386 862 HA TYR 111 HA TYR 111 2.429 -0.096 -8.189 863 HB2 TYR 111 1HB TYR 111 0.130 1.617 -7.259 864 HB3 TYR 111 2HB TYR 111 -0.122 0.046 -8.013 865 HD1 TYR 111 1HD TYR 111 1.233 1.782 -5.064 866 HD2 TYR 111 2HD TYR 111 0.353 -1.989 -6.828 867 HE1 TYR 111 1HE TYR 111 1.561 0.692 -2.884 868 HE2 TYR 111 2HE TYR 111 0.678 -3.089 -4.653 869 HH TYR 111 HH TYR 111 0.844 -2.710 -2.404 870 H GLU 112 H GLU 112 1.430 -0.831 -10.107 871 HA GLU 112 HA GLU 112 1.864 0.720 -12.375 872 HB2 GLU 112 1HB GLU 112 0.468 -1.839 -11.808 873 HB3 GLU 112 2HB GLU 112 0.106 -1.058 -13.341 874 HG2 GLU 112 1HG GLU 112 2.540 -1.000 -13.822 875 HG3 GLU 112 2HG GLU 112 2.808 -1.929 -12.348 876 H PHE 113 H PHE 113 0.892 2.674 -12.515 877 HA PHE 113 HA PHE 113 -1.946 2.951 -11.973 878 HB2 PHE 113 1HB PHE 113 0.224 4.661 -11.745 879 HB3 PHE 113 2HB PHE 113 -0.630 5.268 -13.159 880 HD1 PHE 113 2HD PHE 113 -1.674 3.869 -9.858 881 HD2 PHE 113 1HD PHE 113 -1.964 7.057 -12.663 882 HE1 PHE 113 2HE PHE 113 -3.285 5.009 -8.389 883 HE2 PHE 113 1HE PHE 113 -3.575 8.203 -11.199 884 HZ PHE 113 HZ PHE 113 -4.239 7.179 -9.059 885 H ILE 114 H ILE 114 -0.422 1.659 -14.445 886 HA ILE 114 HA ILE 114 -0.984 2.905 -16.793 887 HB ILE 114 HB ILE 114 -1.420 -0.024 -16.199 888 HG12 ILE 114 1HG1 ILE 114 0.949 0.828 -17.710 889 HG13 ILE 114 2HG1 ILE 114 0.910 1.421 -16.053 890 HG21 ILE 114 1HG2 ILE 114 -1.170 1.446 -18.816 891 HG22 ILE 114 2HG2 ILE 114 -1.032 -0.304 -18.650 892 HG23 ILE 114 3HG2 ILE 114 -2.545 0.504 -18.240 893 HD11 ILE 114 3HD1 ILE 114 0.352 -1.064 -15.491 894 HD12 ILE 114 1HD1 ILE 114 1.086 -1.370 -17.065 895 HD13 ILE 114 2HD1 ILE 114 2.014 -0.564 -15.800 896 H ASN 115 H ASN 115 -3.276 1.385 -14.622 897 HA ASN 115 HA ASN 115 -5.476 1.693 -16.485 898 HB2 ASN 115 1HB ASN 115 -5.179 0.547 -13.728 899 HB3 ASN 115 2HB ASN 115 -6.782 0.932 -14.349 900 HD21 ASN 115 1HD2 ASN 115 -7.375 -0.043 -16.421 901 HD22 ASN 115 2HD2 ASN 115 -6.785 -1.625 -16.788 902 H GLU 116 H GLU 116 -4.392 4.133 -16.114 903 HA GLU 116 HA GLU 116 -5.308 5.684 -13.992 904 HB2 GLU 116 1HB GLU 116 -5.155 7.600 -15.661 905 HB3 GLU 116 2HB GLU 116 -3.695 6.652 -15.414 906 HG2 GLU 116 1HG GLU 116 -3.586 6.182 -17.569 907 HG3 GLU 116 2HG GLU 116 -5.210 5.498 -17.538 908 H ASN 117 H ASN 117 -6.910 4.746 -16.985 909 HA ASN 117 HA ASN 117 -9.157 6.439 -16.725 910 HB2 ASN 117 1HB ASN 117 -10.225 4.629 -18.251 911 HB3 ASN 117 2HB ASN 117 -8.869 5.567 -18.872 912 HD21 ASN 117 1HD2 ASN 117 -6.770 4.589 -18.855 913 HD22 ASN 117 2HD2 ASN 117 -6.618 2.871 -18.951 914 H LYS 118 H LYS 118 -8.235 3.579 -15.099 915 HA LYS 118 HA LYS 118 -10.972 3.200 -14.082 916 HB2 LYS 118 1HB LYS 118 -8.686 1.245 -13.846 917 HB3 LYS 118 2HB LYS 118 -10.393 0.943 -13.547 918 HG2 LYS 118 1HG LYS 118 -9.161 1.565 -16.224 919 HG3 LYS 118 2HG LYS 118 -9.661 -0.030 -15.658 920 HD2 LYS 118 1HD LYS 118 -11.971 1.100 -15.308 921 HD3 LYS 118 2HD LYS 118 -11.346 2.329 -16.409 922 HE2 LYS 118 1HE LYS 118 -10.916 0.606 -18.088 923 HE3 LYS 118 2HE LYS 118 -11.523 -0.627 -16.985 924 HZ1 LYS 118 3HZ LYS 118 -13.107 0.265 -18.743 925 HZ2 LYS 118 1HZ LYS 118 -13.197 1.667 -17.800 926 HZ3 LYS 118 2HZ LYS 118 -13.686 0.181 -17.156 927 HA PRO 119 HA PRO 119 -9.797 4.585 -10.084 928 HB2 PRO 119 1HB PRO 119 -11.375 3.033 -8.512 929 HB3 PRO 119 2HB PRO 119 -12.005 4.363 -9.491 930 HG2 PRO 119 1HG PRO 119 -12.000 1.425 -10.066 931 HG3 PRO 119 2HG PRO 119 -13.296 2.610 -10.309 932 HD2 PRO 119 1HD PRO 119 -11.715 1.744 -12.330 933 HD3 PRO 119 2HD PRO 119 -12.387 3.386 -12.280 934 H VAL 120 H VAL 120 -8.744 3.971 -8.107 935 HA VAL 120 HA VAL 120 -6.948 1.735 -8.464 936 HB VAL 120 HB VAL 120 -7.139 3.727 -6.201 937 HG11 VAL 120 1HG1 VAL 120 -6.067 1.638 -5.520 938 HG12 VAL 120 2HG1 VAL 120 -4.954 1.762 -6.884 939 HG13 VAL 120 3HG1 VAL 120 -4.904 2.961 -5.591 940 HG21 VAL 120 3HG2 VAL 120 -5.334 4.896 -7.245 941 HG22 VAL 120 1HG2 VAL 120 -5.162 3.641 -8.473 942 HG23 VAL 120 2HG2 VAL 120 -6.596 4.668 -8.456 943 H HIS 121 H HIS 121 -8.096 -0.144 -8.178 944 HA HIS 121 HA HIS 121 -10.005 -0.643 -6.199 945 HB2 HIS 121 1HB HIS 121 -9.074 -2.041 -8.321 946 HB3 HIS 121 2HB HIS 121 -8.302 -2.925 -7.007 947 HD1 HIS 121 1HD HIS 121 -11.108 -3.255 -8.994 948 HD2 HIS 121 2HD HIS 121 -10.578 -3.315 -4.874 949 HE1 HIS 121 1HE HIS 121 -13.105 -4.477 -8.077 950 H PHE 122 H PHE 122 -9.563 -0.194 -4.117 951 HA PHE 122 HA PHE 122 -7.019 -1.044 -2.963 952 HB2 PHE 122 1HB PHE 122 -9.208 0.810 -2.095 953 HB3 PHE 122 2HB PHE 122 -8.103 0.148 -0.895 954 HD1 PHE 122 1HD PHE 122 -5.531 0.299 -1.691 955 HD2 PHE 122 2HD PHE 122 -8.687 2.871 -2.932 956 HE1 PHE 122 1HE PHE 122 -3.887 2.045 -2.240 957 HE2 PHE 122 2HE PHE 122 -7.048 4.621 -3.484 958 HZ PHE 122 HZ PHE 122 -4.645 4.209 -3.139 959 H LYS 123 H LYS 123 -6.802 -2.643 -1.490 960 HA LYS 123 HA LYS 123 -9.186 -3.873 -0.337 961 HB2 LYS 123 1HB LYS 123 -8.294 -4.977 -2.585 962 HB3 LYS 123 2HB LYS 123 -7.152 -5.730 -1.479 963 HG2 LYS 123 1HG LYS 123 -9.116 -6.517 -0.136 964 HG3 LYS 123 2HG LYS 123 -10.152 -5.940 -1.443 965 HD2 LYS 123 1HD LYS 123 -7.890 -7.859 -1.930 966 HD3 LYS 123 2HD LYS 123 -9.500 -8.410 -1.463 967 HE2 LYS 123 1HE LYS 123 -9.344 -6.480 -3.701 968 HE3 LYS 123 2HE LYS 123 -8.735 -8.105 -4.012 969 HZ1 LYS 123 3HZ LYS 123 -10.992 -8.148 -4.588 970 HZ2 LYS 123 1HZ LYS 123 -11.466 -7.306 -3.199 971 HZ3 LYS 123 2HZ LYS 123 -10.924 -8.904 -3.076 972 H PHE 124 H PHE 124 -8.740 -3.604 1.762 973 HA PHE 124 HA PHE 124 -6.062 -4.376 2.718 974 HB2 PHE 124 1HB PHE 124 -8.032 -2.530 4.081 975 HB3 PHE 124 2HB PHE 124 -6.380 -2.866 4.587 976 HD1 PHE 124 1HD PHE 124 -4.490 -1.937 3.362 977 HD2 PHE 124 2HD PHE 124 -8.503 -1.025 2.276 978 HE1 PHE 124 1HE PHE 124 -3.690 -0.043 2.009 979 HE2 PHE 124 2HE PHE 124 -7.709 0.870 0.921 980 HZ PHE 124 HZ PHE 124 -5.300 1.362 0.786 981 H ARG 125 H ARG 125 -5.889 -5.634 4.594 982 HA ARG 125 HA ARG 125 -8.004 -6.495 6.200 983 HB2 ARG 125 1HB ARG 125 -8.096 -8.899 5.302 984 HB3 ARG 125 2HB ARG 125 -8.996 -7.666 4.428 985 HG2 ARG 125 1HG ARG 125 -6.317 -7.899 3.397 986 HG3 ARG 125 2HG ARG 125 -7.141 -9.460 3.388 987 HD2 ARG 125 1HD ARG 125 -9.102 -8.224 2.322 988 HD3 ARG 125 2HD ARG 125 -7.971 -6.897 2.059 989 HE ARG 125 HE ARG 125 -7.039 -8.088 0.347 990 HH11 ARG 125 1HH1 ARG 125 -8.912 -10.247 2.335 991 HH12 ARG 125 2HH1 ARG 125 -8.736 -11.596 1.264 992 HH21 ARG 125 1HH2 ARG 125 -6.800 -9.858 -1.072 993 HH22 ARG 125 2HH2 ARG 125 -7.533 -11.375 -0.674 994 H ASP 126 H ASP 126 -7.128 -7.298 7.997 995 HA ASP 126 HA ASP 126 -4.401 -7.511 8.412 996 HB2 ASP 126 1HB ASP 126 -6.464 -9.066 9.975 997 HB3 ASP 126 2HB ASP 126 -4.909 -8.466 10.544 998 H ARG 127 H ARG 127 -6.719 -10.008 7.502 999 HA ARG 127 HA ARG 127 -4.463 -11.750 6.805 1000 HB2 ARG 127 1HB ARG 127 -6.947 -12.640 8.283 1001 HB3 ARG 127 2HB ARG 127 -5.693 -13.708 7.669 1002 HG2 ARG 127 1HG ARG 127 -4.251 -13.204 9.337 1003 HG3 ARG 127 2HG ARG 127 -4.822 -11.541 9.478 1004 HD2 ARG 127 1HD ARG 127 -6.558 -13.838 10.304 1005 HD3 ARG 127 2HD ARG 127 -5.321 -13.207 11.390 1006 HE ARG 127 HE ARG 127 -6.664 -10.985 10.684 1007 HH11 ARG 127 1HH1 ARG 127 -7.706 -14.089 11.866 1008 HH12 ARG 127 2HH1 ARG 127 -9.107 -13.460 12.666 1009 HH21 ARG 127 1HH2 ARG 127 -8.506 -10.144 11.734 1010 HH22 ARG 127 2HH2 ARG 127 -9.562 -11.216 12.590 1011 H LEU 128 H LEU 128 -4.986 -13.381 5.207 1012 HA LEU 128 HA LEU 128 -6.376 -12.407 3.016 1013 HB2 LEU 128 1HB LEU 128 -5.100 -14.909 3.781 1014 HB3 LEU 128 2HB LEU 128 -6.458 -15.143 2.682 1015 HG LEU 128 HG LEU 128 -4.398 -15.018 1.431 1016 HD11 LEU 128 1HD1 LEU 128 -5.635 -12.355 0.925 1017 HD12 LEU 128 2HD1 LEU 128 -6.610 -13.811 0.724 1018 HD13 LEU 128 3HD1 LEU 128 -5.133 -13.602 -0.216 1019 HD21 LEU 128 3HD2 LEU 128 -3.597 -12.348 1.656 1020 HD22 LEU 128 1HD2 LEU 128 -2.724 -13.780 2.201 1021 HD23 LEU 128 2HD2 LEU 128 -3.796 -12.926 3.311 1022 H LEU 129 H LEU 129 -7.529 -14.186 5.763 1023 HA LEU 129 HA LEU 129 -10.142 -14.586 4.495 1024 HB2 LEU 129 1HB LEU 129 -10.627 -15.933 6.547 1025 HB3 LEU 129 2HB LEU 129 -9.339 -16.561 5.519 1026 HG LEU 129 HG LEU 129 -8.382 -14.842 7.684 1027 HD11 LEU 129 1HD1 LEU 129 -8.692 -16.740 9.353 1028 HD12 LEU 129 2HD1 LEU 129 -9.967 -17.320 8.282 1029 HD13 LEU 129 3HD1 LEU 129 -10.094 -15.723 9.020 1030 HD21 LEU 129 3HD2 LEU 129 -6.904 -16.160 6.276 1031 HD22 LEU 129 1HD2 LEU 129 -7.724 -17.641 6.773 1032 HD23 LEU 129 2HD2 LEU 129 -6.806 -16.704 7.951 1033 H SER 130 H SER 130 -11.715 -13.180 4.856 1034 HA SER 130 HA SER 130 -11.493 -11.375 7.164 1035 HB2 SER 130 1HB SER 130 -12.965 -11.112 4.537 1036 HB3 SER 130 2HB SER 130 -13.184 -9.990 5.880 1037 HG SER 130 HG SER 130 -10.947 -9.530 5.755 1038 H LEU 131 H LEU 131 -13.453 -13.837 5.720 1039 HA LEU 131 HA LEU 131 -15.209 -15.035 6.545 1040 HB2 LEU 131 1HB LEU 131 -15.249 -13.352 9.017 1041 HB3 LEU 131 2HB LEU 131 -15.677 -15.050 8.821 1042 HG LEU 131 HG LEU 131 -12.926 -13.838 8.962 1043 HD11 LEU 131 1HD1 LEU 131 -13.771 -14.209 11.120 1044 HD12 LEU 131 2HD1 LEU 131 -12.755 -15.609 10.778 1045 HD13 LEU 131 3HD1 LEU 131 -14.509 -15.743 10.660 1046 HD21 LEU 131 3HD2 LEU 131 -12.329 -15.414 7.479 1047 HD22 LEU 131 1HD2 LEU 131 -13.831 -16.316 7.680 1048 HD23 LEU 131 2HD2 LEU 131 -12.518 -16.522 8.839 1049 H ASP 132 H ASP 132 -15.720 -11.806 7.970 1050 HA ASP 132 HA ASP 132 -18.429 -11.774 6.926 1051 HB2 ASP 132 1HB ASP 132 -17.043 -10.541 9.119 1052 HB3 ASP 132 2HB ASP 132 -17.814 -9.295 8.142 1053 H GLU 133 H GLU 133 -15.951 -9.217 7.007 1054 HA GLU 133 HA GLU 133 -15.921 -8.890 4.172 1055 HB2 GLU 133 1HB GLU 133 -16.846 -6.490 4.332 1056 HB3 GLU 133 2HB GLU 133 -17.993 -7.822 4.306 1057 HG2 GLU 133 1HG GLU 133 -18.362 -7.656 6.649 1058 HG3 GLU 133 2HG GLU 133 -17.032 -6.515 6.836 1059 HA PRO 134 HA PRO 134 -12.137 -6.867 5.087 1060 HB2 PRO 134 1HB PRO 134 -11.908 -5.147 2.999 1061 HB3 PRO 134 2HB PRO 134 -11.703 -6.895 2.831 1062 HG2 PRO 134 1HG PRO 134 -14.094 -5.201 2.217 1063 HG3 PRO 134 2HG PRO 134 -13.396 -6.535 1.279 1064 HD2 PRO 134 1HD PRO 134 -15.575 -6.846 2.856 1065 HD3 PRO 134 2HD PRO 134 -14.395 -8.146 2.590 1066 H ILE 135 H ILE 135 -11.799 -5.436 6.658 1067 HA ILE 135 HA ILE 135 -13.501 -3.450 7.505 1068 HB ILE 135 HB ILE 135 -11.753 -4.115 8.964 1069 HG12 ILE 135 1HG1 ILE 135 -11.087 -1.304 8.066 1070 HG13 ILE 135 2HG1 ILE 135 -12.462 -1.722 9.082 1071 HG21 ILE 135 1HG2 ILE 135 -9.883 -3.225 6.781 1072 HG22 ILE 135 2HG2 ILE 135 -9.354 -3.554 8.430 1073 HG23 ILE 135 3HG2 ILE 135 -10.071 -4.841 7.462 1074 HD11 ILE 135 3HD1 ILE 135 -11.098 -1.305 10.786 1075 HD12 ILE 135 1HD1 ILE 135 -10.369 -2.868 10.418 1076 HD13 ILE 135 2HD1 ILE 135 -9.658 -1.389 9.772 1077 H ALA 136 H ALA 136 -11.006 -3.285 5.042 1078 HA ALA 136 HA ALA 136 -12.095 -0.720 4.167 1079 HB1 ALA 136 1HB ALA 136 -10.190 0.503 4.351 1080 HB2 ALA 136 2HB ALA 136 -9.933 -0.593 5.709 1081 HB3 ALA 136 3HB ALA 136 -9.138 -0.900 4.165 1082 H SER 137 H SER 137 -12.164 -0.508 1.995 1083 HA SER 137 HA SER 137 -10.405 -1.742 0.174 1084 HB2 SER 137 1HB SER 137 -11.674 -3.547 -0.693 1085 HB3 SER 137 2HB SER 137 -11.730 -3.745 1.058 1086 HG SER 137 HG SER 137 -13.789 -3.948 -0.078 1087 H GLU 138 H GLU 138 -12.485 -2.218 -1.853 1088 HA GLU 138 HA GLU 138 -13.838 -1.097 -3.327 1089 HB2 GLU 138 1HB GLU 138 -14.773 -0.016 -1.187 1090 HB3 GLU 138 2HB GLU 138 -13.723 1.342 -1.568 1091 HG2 GLU 138 1HG GLU 138 -15.788 1.933 -2.460 1092 HG3 GLU 138 2HG GLU 138 -14.857 1.367 -3.847 1093 H GLU 139 H GLU 139 -13.456 0.212 -5.112 1094 HA GLU 139 HA GLU 139 -10.718 1.022 -5.457 1095 HB2 GLU 139 1HB GLU 139 -12.898 1.581 -7.441 1096 HB3 GLU 139 2HB GLU 139 -11.202 1.223 -7.735 1097 HG2 GLU 139 1HG GLU 139 -11.926 -0.816 -8.258 1098 HG3 GLU 139 2HG GLU 139 -12.036 -1.060 -6.516 1099 H ILE 140 H ILE 140 -9.904 3.063 -5.676 1100 HA ILE 140 HA ILE 140 -11.720 5.344 -5.560 1101 HB ILE 140 HB ILE 140 -9.488 4.974 -3.559 1102 HG12 ILE 140 1HG1 ILE 140 -12.494 4.944 -3.218 1103 HG13 ILE 140 2HG1 ILE 140 -11.402 3.581 -2.996 1104 HG21 ILE 140 1HG2 ILE 140 -10.256 7.076 -2.605 1105 HG22 ILE 140 2HG2 ILE 140 -9.777 7.294 -4.287 1106 HG23 ILE 140 3HG2 ILE 140 -11.486 7.212 -3.861 1107 HD11 ILE 140 3HD1 ILE 140 -11.689 4.195 -0.834 1108 HD12 ILE 140 1HD1 ILE 140 -10.308 5.216 -1.234 1109 HD13 ILE 140 2HD1 ILE 140 -11.936 5.895 -1.230 1110 H THR 141 H THR 141 -11.106 6.217 -7.461 1111 HA THR 141 HA THR 141 -8.536 6.194 -8.560 1112 HB THR 141 HB THR 141 -10.183 8.553 -9.217 1113 HG1 THR 141 1HG THR 141 -11.980 7.493 -9.528 1114 HG21 THR 141 3HG2 THR 141 -8.932 6.311 -10.804 1115 HG22 THR 141 1HG2 THR 141 -8.312 7.950 -10.611 1116 HG23 THR 141 2HG2 THR 141 -9.801 7.671 -11.515 1117 H ILE 142 H ILE 142 -6.743 7.296 -8.116 1118 HA ILE 142 HA ILE 142 -6.880 9.467 -6.162 1119 HB ILE 142 HB ILE 142 -4.505 7.942 -7.239 1120 HG12 ILE 142 1HG1 ILE 142 -5.853 7.885 -4.529 1121 HG13 ILE 142 2HG1 ILE 142 -5.978 6.632 -5.759 1122 HG21 ILE 142 1HG2 ILE 142 -4.643 10.472 -5.918 1123 HG22 ILE 142 2HG2 ILE 142 -3.866 9.300 -4.855 1124 HG23 ILE 142 3HG2 ILE 142 -3.224 9.584 -6.473 1125 HD11 ILE 142 3HD1 ILE 142 -3.522 7.443 -4.230 1126 HD12 ILE 142 1HD1 ILE 142 -4.410 5.925 -4.113 1127 HD13 ILE 142 2HD1 ILE 142 -3.519 6.315 -5.585 1128 H THR 143 H THR 143 -6.597 11.534 -6.687 1129 HA THR 143 HA THR 143 -5.435 12.165 -9.322 1130 HB THR 143 HB THR 143 -6.950 14.113 -9.454 1131 HG1 THR 143 1HG THR 143 -8.696 14.214 -7.968 1132 HG21 THR 143 3HG2 THR 143 -8.921 11.981 -9.073 1133 HG22 THR 143 1HG2 THR 143 -7.526 11.502 -10.040 1134 HG23 THR 143 2HG2 THR 143 -8.501 12.889 -10.525 Start of MODEL 17 1 H1 MET 1 H MET 1 -23.819 -6.847 25.576 2 HA MET 1 HA MET 1 -22.222 -7.869 27.644 3 HB2 MET 1 1HB MET 1 -22.376 -8.161 24.716 4 HB3 MET 1 2HB MET 1 -20.793 -8.491 25.409 5 HG2 MET 1 1HG MET 1 -22.626 -9.811 27.055 6 HG3 MET 1 2HG MET 1 -23.161 -10.110 25.402 7 HE1 MET 1 3HE MET 1 -22.096 -13.069 26.592 8 HE2 MET 1 1HE MET 1 -20.657 -12.695 27.540 9 HE3 MET 1 2HE MET 1 -22.148 -11.792 27.808 10 H ASP 2 H ASP 2 -21.140 -5.930 24.848 11 HA ASP 2 HA ASP 2 -19.649 -4.085 26.343 12 HB2 ASP 2 1HB ASP 2 -18.327 -6.635 25.831 13 HB3 ASP 2 2HB ASP 2 -17.422 -5.267 25.189 14 H GLU 3 H GLU 3 -18.147 -2.795 24.942 15 HA GLU 3 HA GLU 3 -19.220 -2.720 22.206 16 HB2 GLU 3 1HB GLU 3 -19.629 -0.699 23.512 17 HB3 GLU 3 2HB GLU 3 -17.910 -0.547 23.849 18 HG2 GLU 3 1HG GLU 3 -17.574 0.561 21.966 19 HG3 GLU 3 2HG GLU 3 -18.352 -0.706 21.019 20 H VAL 4 H VAL 4 -17.861 -4.077 21.111 21 HA VAL 4 HA VAL 4 -14.982 -3.464 21.207 22 HB VAL 4 HB VAL 4 -15.976 -5.928 19.865 23 HG11 VAL 4 1HG1 VAL 4 -13.823 -6.507 21.501 24 HG12 VAL 4 2HG1 VAL 4 -13.759 -6.159 19.772 25 HG13 VAL 4 3HG1 VAL 4 -13.500 -4.866 20.944 26 HG21 VAL 4 3HG2 VAL 4 -15.946 -5.506 22.845 27 HG22 VAL 4 1HG2 VAL 4 -17.278 -6.074 21.838 28 HG23 VAL 4 2HG2 VAL 4 -15.869 -7.102 22.099 29 H LEU 5 H LEU 5 -13.906 -4.125 19.006 30 HA LEU 5 HA LEU 5 -15.147 -2.444 16.995 31 HB2 LEU 5 1HB LEU 5 -12.572 -3.922 16.627 32 HB3 LEU 5 2HB LEU 5 -13.078 -2.383 15.933 33 HG LEU 5 HG LEU 5 -12.992 -1.922 18.677 34 HD11 LEU 5 1HD1 LEU 5 -11.742 -3.700 19.376 35 HD12 LEU 5 2HD1 LEU 5 -10.454 -2.582 18.928 36 HD13 LEU 5 3HD1 LEU 5 -10.921 -3.878 17.826 37 HD21 LEU 5 3HD2 LEU 5 -10.626 -0.937 17.727 38 HD22 LEU 5 1HD2 LEU 5 -12.192 -0.137 17.591 39 HD23 LEU 5 2HD2 LEU 5 -11.579 -1.108 16.252 40 H ALA 6 H ALA 6 -14.098 -3.615 14.677 41 HA ALA 6 HA ALA 6 -16.141 -5.285 13.854 42 HB1 ALA 6 1HB ALA 6 -14.537 -5.945 11.998 43 HB2 ALA 6 2HB ALA 6 -14.866 -4.222 12.187 44 HB3 ALA 6 3HB ALA 6 -13.356 -4.903 12.793 45 H THR 7 H THR 7 -16.453 -6.869 15.480 46 HA THR 7 HA THR 7 -16.089 -8.826 16.625 47 HB THR 7 HB THR 7 -16.815 -9.690 14.479 48 HG1 THR 7 1HG THR 7 -14.580 -11.279 15.186 49 HG21 THR 7 3HG2 THR 7 -13.899 -9.512 13.722 50 HG22 THR 7 1HG2 THR 7 -15.250 -8.653 12.982 51 HG23 THR 7 2HG2 THR 7 -15.108 -10.401 12.796 52 H SER 8 H SER 8 -14.102 -7.252 17.384 53 HA SER 8 HA SER 8 -11.931 -7.112 18.084 54 HB2 SER 8 1HB SER 8 -12.869 -9.857 18.540 55 HB3 SER 8 2HB SER 8 -11.112 -9.701 18.513 56 HG SER 8 HG SER 8 -11.230 -8.219 20.163 57 H ILE 9 H ILE 9 -11.140 -6.347 16.050 58 HA ILE 9 HA ILE 9 -9.195 -8.174 14.880 59 HB ILE 9 HB ILE 9 -11.237 -6.694 13.220 60 HG12 ILE 9 1HG1 ILE 9 -11.988 -8.849 14.200 61 HG13 ILE 9 2HG1 ILE 9 -11.900 -8.896 12.443 62 HG21 ILE 9 1HG2 ILE 9 -9.690 -6.580 11.629 63 HG22 ILE 9 2HG2 ILE 9 -8.540 -7.486 12.611 64 HG23 ILE 9 3HG2 ILE 9 -9.686 -8.343 11.581 65 HD11 ILE 9 3HD1 ILE 9 -10.815 -10.724 14.189 66 HD12 ILE 9 1HD1 ILE 9 -10.429 -10.556 12.476 67 HD13 ILE 9 2HD1 ILE 9 -9.430 -9.754 13.689 68 H GLY 10 H GLY 10 -10.467 -5.017 13.842 69 HA2 GLY 10 1HA GLY 10 -8.293 -3.534 14.949 70 HA3 GLY 10 2HA GLY 10 -8.046 -3.844 13.237 71 H THR 11 H THR 11 -8.129 -1.553 12.915 72 HA THR 11 HA THR 11 -10.678 -0.635 12.106 73 HB THR 11 HB THR 11 -10.123 1.453 13.883 74 HG1 THR 11 1HG THR 11 -9.991 0.442 15.885 75 HG21 THR 11 3HG2 THR 11 -12.239 0.526 15.021 76 HG22 THR 11 1HG2 THR 11 -12.205 -0.708 13.763 77 HG23 THR 11 2HG2 THR 11 -12.349 0.994 13.325 78 H TYR 12 H TYR 12 -10.530 1.118 10.751 79 HA TYR 12 HA TYR 12 -7.925 2.465 10.561 80 HB2 TYR 12 1HB TYR 12 -7.648 2.018 8.324 81 HB3 TYR 12 2HB TYR 12 -8.462 0.540 8.823 82 HD1 TYR 12 1HD TYR 12 -11.060 0.538 8.592 83 HD2 TYR 12 2HD TYR 12 -8.493 3.241 6.542 84 HE1 TYR 12 1HE TYR 12 -12.826 0.944 6.929 85 HE2 TYR 12 2HE TYR 12 -10.252 3.655 4.873 86 HH TYR 12 HH TYR 12 -12.231 2.679 4.004 87 H GLU 13 H GLU 13 -8.054 4.613 10.373 88 HA GLU 13 HA GLU 13 -9.990 6.048 8.964 89 HB2 GLU 13 1HB GLU 13 -11.280 7.032 10.842 90 HB3 GLU 13 2HB GLU 13 -11.589 5.317 10.615 91 HG2 GLU 13 1HG GLU 13 -10.139 4.778 12.478 92 HG3 GLU 13 2HG GLU 13 -9.737 6.482 12.682 93 H ASN 14 H ASN 14 -10.097 8.444 9.965 94 HA ASN 14 HA ASN 14 -8.888 10.362 10.189 95 HB2 ASN 14 1HB ASN 14 -7.093 8.963 12.139 96 HB3 ASN 14 2HB ASN 14 -7.760 10.591 12.210 97 HD21 ASN 14 1HD2 ASN 14 -7.775 8.292 14.112 98 HD22 ASN 14 2HD2 ASN 14 -9.438 8.077 14.529 99 H ARG 15 H ARG 15 -8.027 8.566 8.122 100 HA ARG 15 HA ARG 15 -6.359 8.391 6.585 101 HB2 ARG 15 1HB ARG 15 -6.210 10.903 7.190 102 HB3 ARG 15 2HB ARG 15 -4.779 10.447 8.104 103 HG2 ARG 15 1HG ARG 15 -4.010 11.181 6.008 104 HG3 ARG 15 2HG ARG 15 -3.897 9.420 5.975 105 HD2 ARG 15 1HD ARG 15 -4.813 10.124 3.889 106 HD3 ARG 15 2HD ARG 15 -6.113 9.382 4.820 107 HE ARG 15 HE ARG 15 -5.820 12.217 4.180 108 HH11 ARG 15 1HH1 ARG 15 -7.599 9.676 5.761 109 HH12 ARG 15 2HH1 ARG 15 -9.035 10.625 5.957 110 HH21 ARG 15 1HH2 ARG 15 -7.705 13.477 4.432 111 HH22 ARG 15 2HH2 ARG 15 -9.095 12.787 5.200 112 H THR 16 H THR 16 -6.322 6.451 8.418 113 HA THR 16 HA THR 16 -3.551 5.703 8.495 114 HB THR 16 HB THR 16 -5.010 6.085 11.116 115 HG1 THR 16 1HG THR 16 -2.917 7.444 9.803 116 HG21 THR 16 3HG2 THR 16 -2.264 4.950 10.575 117 HG22 THR 16 1HG2 THR 16 -3.672 4.027 11.097 118 HG23 THR 16 2HG2 THR 16 -2.969 5.242 12.164 119 H LEU 17 H LEU 17 -3.258 3.496 8.709 120 HA LEU 17 HA LEU 17 -5.735 1.906 8.834 121 HB2 LEU 17 1HB LEU 17 -3.709 2.021 6.870 122 HB3 LEU 17 2HB LEU 17 -3.566 0.456 7.667 123 HG LEU 17 HG LEU 17 -4.944 0.266 5.689 124 HD11 LEU 17 1HD1 LEU 17 -6.517 0.078 8.253 125 HD12 LEU 17 2HD1 LEU 17 -5.517 -1.180 7.526 126 HD13 LEU 17 3HD1 LEU 17 -6.995 -0.652 6.720 127 HD21 LEU 17 3HD2 LEU 17 -7.276 1.466 5.945 128 HD22 LEU 17 1HD2 LEU 17 -5.900 2.286 5.205 129 HD23 LEU 17 2HD2 LEU 17 -6.324 2.616 6.885 130 H LEU 18 H LEU 18 -5.922 0.882 10.708 131 HA LEU 18 HA LEU 18 -3.483 -0.095 12.035 132 HB2 LEU 18 1HB LEU 18 -5.392 1.529 13.056 133 HB3 LEU 18 2HB LEU 18 -6.013 -0.047 13.542 134 HG LEU 18 HG LEU 18 -3.335 1.140 14.265 135 HD11 LEU 18 1HD1 LEU 18 -5.718 0.440 15.974 136 HD12 LEU 18 2HD1 LEU 18 -5.270 2.069 15.469 137 HD13 LEU 18 3HD1 LEU 18 -4.198 1.147 16.523 138 HD21 LEU 18 3HD2 LEU 18 -3.176 -0.906 15.723 139 HD22 LEU 18 1HD2 LEU 18 -2.988 -1.190 13.992 140 HD23 LEU 18 2HD2 LEU 18 -4.512 -1.581 14.789 141 H VAL 19 H VAL 19 -3.172 -2.217 12.215 142 HA VAL 19 HA VAL 19 -5.403 -4.060 12.328 143 HB VAL 19 HB VAL 19 -4.350 -5.475 10.471 144 HG11 VAL 19 1HG1 VAL 19 -6.521 -4.233 10.352 145 HG12 VAL 19 2HG1 VAL 19 -5.646 -2.900 9.597 146 HG13 VAL 19 3HG1 VAL 19 -5.722 -4.471 8.798 147 HG21 VAL 19 3HG2 VAL 19 -2.289 -4.017 10.372 148 HG22 VAL 19 1HG2 VAL 19 -3.032 -4.404 8.821 149 HG23 VAL 19 2HG2 VAL 19 -3.282 -2.817 9.548 150 HA PRO 20 HA PRO 20 -2.642 -6.389 14.823 151 HB2 PRO 20 1HB PRO 20 -3.506 -8.921 14.364 152 HB3 PRO 20 2HB PRO 20 -4.424 -7.752 15.321 153 HG2 PRO 20 1HG PRO 20 -4.778 -8.552 12.458 154 HG3 PRO 20 2HG PRO 20 -6.009 -8.290 13.707 155 HD2 PRO 20 1HD PRO 20 -5.431 -6.436 11.820 156 HD3 PRO 20 2HD PRO 20 -5.953 -5.999 13.460 157 H ASP 21 H ASP 21 -0.840 -5.760 13.332 158 HA ASP 21 HA ASP 21 0.747 -7.965 12.688 159 HB2 ASP 21 1HB ASP 21 -1.049 -7.086 10.553 160 HB3 ASP 21 2HB ASP 21 0.645 -7.093 10.070 161 H GLY 22 H GLY 22 -0.017 -4.598 11.981 162 HA2 GLY 22 1HA GLY 22 2.705 -3.845 12.630 163 HA3 GLY 22 2HA GLY 22 2.242 -3.546 10.961 164 H ARG 23 H ARG 23 2.146 -1.369 10.894 165 HA ARG 23 HA ARG 23 -0.070 -0.078 12.174 166 HB2 ARG 23 1HB ARG 23 2.023 -0.140 13.804 167 HB3 ARG 23 2HB ARG 23 2.533 1.225 12.821 168 HG2 ARG 23 1HG ARG 23 -0.087 1.032 14.292 169 HG3 ARG 23 2HG ARG 23 1.338 1.913 14.849 170 HD2 ARG 23 1HD ARG 23 1.082 2.973 12.398 171 HD3 ARG 23 2HD ARG 23 -0.606 2.581 12.724 172 HE ARG 23 HE ARG 23 0.884 4.708 13.856 173 HH11 ARG 23 1HH1 ARG 23 -1.553 2.344 14.626 174 HH12 ARG 23 2HH1 ARG 23 -2.282 3.308 15.868 175 HH21 ARG 23 1HH2 ARG 23 -0.066 5.986 15.488 176 HH22 ARG 23 2HH2 ARG 23 -1.435 5.380 16.357 177 H LEU 24 H LEU 24 -0.532 0.202 9.920 178 HA LEU 24 HA LEU 24 1.231 1.896 8.359 179 HB2 LEU 24 1HB LEU 24 -0.307 -0.108 7.596 180 HB3 LEU 24 2HB LEU 24 -1.513 1.171 7.461 181 HG LEU 24 HG LEU 24 0.543 2.267 6.077 182 HD11 LEU 24 1HD1 LEU 24 0.618 -0.628 5.288 183 HD12 LEU 24 2HD1 LEU 24 1.777 0.064 6.423 184 HD13 LEU 24 3HD1 LEU 24 1.678 0.685 4.776 185 HD21 LEU 24 3HD2 LEU 24 -1.176 0.406 4.551 186 HD22 LEU 24 1HD2 LEU 24 -0.870 2.127 4.313 187 HD23 LEU 24 2HD2 LEU 24 -1.994 1.596 5.565 188 H ALA 25 H ALA 25 0.893 4.004 7.839 189 HA ALA 25 HA ALA 25 -1.603 5.303 8.593 190 HB1 ALA 25 1HB ALA 25 0.110 5.332 10.534 191 HB2 ALA 25 2HB ALA 25 0.935 6.553 9.564 192 HB3 ALA 25 3HB ALA 25 -0.724 6.824 10.100 193 H LEU 26 H LEU 26 -2.115 6.069 6.626 194 HA LEU 26 HA LEU 26 -0.317 6.876 4.640 195 HB2 LEU 26 1HB LEU 26 -3.134 7.877 4.998 196 HB3 LEU 26 2HB LEU 26 -2.209 7.811 3.500 197 HG LEU 26 HG LEU 26 -2.390 5.176 4.580 198 HD11 LEU 26 1HD1 LEU 26 -4.388 6.150 5.747 199 HD12 LEU 26 2HD1 LEU 26 -4.732 4.801 4.665 200 HD13 LEU 26 3HD1 LEU 26 -5.082 6.452 4.153 201 HD21 LEU 26 3HD2 LEU 26 -3.653 6.448 2.154 202 HD22 LEU 26 1HD2 LEU 26 -3.439 4.719 2.429 203 HD23 LEU 26 2HD2 LEU 26 -2.030 5.762 2.233 204 H THR 27 H THR 27 0.747 8.717 4.236 205 HA THR 27 HA THR 27 0.440 10.911 6.155 206 HB THR 27 HB THR 27 2.619 11.682 5.442 207 HG1 THR 27 1HG THR 27 3.571 10.968 3.652 208 HG21 THR 27 3HG2 THR 27 3.218 8.799 5.587 209 HG22 THR 27 1HG2 THR 27 2.187 9.427 6.872 210 HG23 THR 27 2HG2 THR 27 3.784 10.127 6.600 211 H ALA 28 H ALA 28 0.837 10.415 2.648 212 HA ALA 28 HA ALA 28 -1.189 12.156 1.871 213 HB1 ALA 28 1HB ALA 28 1.136 13.696 1.108 214 HB2 ALA 28 2HB ALA 28 -0.361 14.220 1.881 215 HB3 ALA 28 3HB ALA 28 0.967 13.598 2.861 216 H LEU 29 H LEU 29 -1.662 10.994 0.112 217 HA LEU 29 HA LEU 29 0.167 9.590 -1.477 218 HB2 LEU 29 1HB LEU 29 -2.579 10.618 -2.178 219 HB3 LEU 29 2HB LEU 29 -1.675 9.428 -3.111 220 HG LEU 29 HG LEU 29 -2.313 8.883 -0.242 221 HD11 LEU 29 1HD1 LEU 29 -4.313 7.609 -1.573 222 HD12 LEU 29 2HD1 LEU 29 -4.239 9.147 -2.431 223 HD13 LEU 29 3HD1 LEU 29 -4.494 9.123 -0.687 224 HD21 LEU 29 3HD2 LEU 29 -2.492 6.814 -2.322 225 HD22 LEU 29 1HD2 LEU 29 -1.719 6.772 -0.737 226 HD23 LEU 29 2HD2 LEU 29 -0.890 7.521 -2.102 227 H HIS 30 H HIS 30 1.445 10.153 -3.125 228 HA HIS 30 HA HIS 30 1.066 12.810 -4.339 229 HB2 HIS 30 1HB HIS 30 3.684 11.492 -3.591 230 HB3 HIS 30 2HB HIS 30 3.538 12.988 -4.508 231 HD1 HIS 30 1HD HIS 30 1.459 14.482 -2.858 232 HD2 HIS 30 2HD HIS 30 4.615 12.353 -1.193 233 HE1 HIS 30 1HE HIS 30 1.808 15.474 -0.574 234 H LYS 31 H LYS 31 1.518 13.003 -6.529 235 HA LYS 31 HA LYS 31 1.695 10.445 -7.966 236 HB2 LYS 31 1HB LYS 31 0.625 11.551 -9.827 237 HB3 LYS 31 2HB LYS 31 -0.317 11.844 -8.371 238 HG2 LYS 31 1HG LYS 31 0.183 14.070 -8.324 239 HG3 LYS 31 2HG LYS 31 1.729 13.853 -9.148 240 HD2 LYS 31 1HD LYS 31 -0.997 13.626 -10.424 241 HD3 LYS 31 2HD LYS 31 0.100 15.001 -10.574 242 HE2 LYS 31 1HE LYS 31 0.476 12.200 -11.608 243 HE3 LYS 31 2HE LYS 31 0.367 13.695 -12.536 244 HZ1 LYS 31 3HZ LYS 31 2.621 13.247 -12.499 245 HZ2 LYS 31 1HZ LYS 31 2.606 12.698 -10.898 246 HZ3 LYS 31 2HZ LYS 31 2.457 14.350 -11.227 247 H GLY 32 H GLY 32 2.890 10.443 -10.024 248 HA2 GLY 32 1HA GLY 32 4.946 12.489 -10.314 249 HA3 GLY 32 2HA GLY 32 5.512 10.874 -9.913 250 H LYS 33 H LYS 33 6.648 10.722 -11.873 251 HA LYS 33 HA LYS 33 4.917 10.199 -14.194 252 HB2 LYS 33 1HB LYS 33 6.546 11.179 -15.681 253 HB3 LYS 33 2HB LYS 33 6.117 12.361 -14.451 254 HG2 LYS 33 1HG LYS 33 8.167 12.125 -13.346 255 HG3 LYS 33 2HG LYS 33 8.542 10.618 -14.184 256 HD2 LYS 33 1HD LYS 33 9.859 12.057 -15.374 257 HD3 LYS 33 2HD LYS 33 8.370 12.177 -16.314 258 HE2 LYS 33 1HE LYS 33 7.798 14.240 -15.337 259 HE3 LYS 33 2HE LYS 33 8.971 14.041 -14.035 260 HZ1 LYS 33 3HZ LYS 33 9.720 14.348 -16.889 261 HZ2 LYS 33 1HZ LYS 33 10.752 14.384 -15.549 262 HZ3 LYS 33 2HZ LYS 33 9.644 15.637 -15.796 263 H ASP 34 H ASP 34 5.752 8.650 -15.713 264 HA ASP 34 HA ASP 34 7.887 6.929 -14.651 265 HB2 ASP 34 1HB ASP 34 6.643 4.963 -14.945 266 HB3 ASP 34 2HB ASP 34 5.487 6.083 -14.230 267 H TYR 35 H TYR 35 7.636 4.982 -16.714 268 HA TYR 35 HA TYR 35 9.334 5.996 -18.650 269 HB2 TYR 35 1HB TYR 35 8.500 3.991 -20.034 270 HB3 TYR 35 2HB TYR 35 9.251 3.657 -18.478 271 HD1 TYR 35 1HD TYR 35 5.991 3.932 -20.216 272 HD2 TYR 35 2HD TYR 35 8.059 2.547 -16.765 273 HE1 TYR 35 1HE TYR 35 3.990 2.678 -19.528 274 HE2 TYR 35 2HE TYR 35 6.064 1.288 -16.068 275 HH TYR 35 HH TYR 35 3.016 1.562 -17.813 276 H GLN 36 H GLN 36 5.827 5.934 -18.563 277 HA GLN 36 HA GLN 36 5.689 7.105 -21.241 278 HB2 GLN 36 1HB GLN 36 3.780 5.689 -19.462 279 HB3 GLN 36 2HB GLN 36 3.111 6.920 -20.525 280 HG2 GLN 36 1HG GLN 36 4.789 5.439 -22.161 281 HG3 GLN 36 2HG GLN 36 4.008 4.243 -21.128 282 HE21 GLN 36 1HE2 GLN 36 1.563 4.784 -20.827 283 HE22 GLN 36 2HE2 GLN 36 0.709 5.087 -22.298 284 H GLY 37 H GLY 37 6.614 8.474 -18.697 285 HA2 GLY 37 1HA GLY 37 6.147 10.406 -17.475 286 HA3 GLY 37 2HA GLY 37 6.046 11.039 -19.111 287 H LYS 38 H LYS 38 3.909 8.992 -17.124 288 HA LYS 38 HA LYS 38 1.926 10.998 -16.814 289 HB2 LYS 38 1HB LYS 38 1.831 9.361 -19.227 290 HB3 LYS 38 2HB LYS 38 0.360 9.236 -18.271 291 HG2 LYS 38 1HG LYS 38 -0.200 11.431 -18.587 292 HG3 LYS 38 2HG LYS 38 1.474 11.938 -18.825 293 HD2 LYS 38 1HD LYS 38 -0.116 10.279 -20.781 294 HD3 LYS 38 2HD LYS 38 0.115 12.025 -20.898 295 HE2 LYS 38 1HE LYS 38 2.651 11.388 -20.735 296 HE3 LYS 38 2HE LYS 38 2.082 9.814 -21.286 297 HZ1 LYS 38 3HZ LYS 38 0.849 11.558 -22.961 298 HZ2 LYS 38 1HZ LYS 38 2.247 10.674 -23.317 299 HZ3 LYS 38 2HZ LYS 38 2.373 12.262 -22.749 300 HA PRO 39 HA PRO 39 0.087 6.858 -15.214 301 HB2 PRO 39 1HB PRO 39 1.267 4.540 -15.991 302 HB3 PRO 39 2HB PRO 39 -0.022 5.318 -16.916 303 HG2 PRO 39 1HG PRO 39 2.938 5.399 -17.355 304 HG3 PRO 39 2HG PRO 39 1.635 5.210 -18.543 305 HD2 PRO 39 1HD PRO 39 2.889 7.572 -18.119 306 HD3 PRO 39 2HD PRO 39 1.180 7.469 -18.591 307 H MET 40 H MET 40 1.079 7.700 -13.317 308 HA MET 40 HA MET 40 2.956 5.880 -12.113 309 HB2 MET 40 1HB MET 40 4.398 7.519 -13.358 310 HB3 MET 40 2HB MET 40 3.746 8.787 -12.329 311 HG2 MET 40 1HG MET 40 5.871 8.122 -11.473 312 HG3 MET 40 2HG MET 40 4.620 7.577 -10.359 313 HE1 MET 40 3HE MET 40 4.987 5.967 -9.191 314 HE2 MET 40 1HE MET 40 4.859 4.301 -9.757 315 HE3 MET 40 2HE MET 40 6.436 4.971 -9.339 316 H PHE 41 H PHE 41 3.096 6.114 -9.833 317 HA PHE 41 HA PHE 41 1.766 8.191 -8.423 318 HB2 PHE 41 1HB PHE 41 -0.321 7.331 -8.898 319 HB3 PHE 41 2HB PHE 41 0.271 5.677 -9.016 320 HD1 PHE 41 1HD PHE 41 -0.312 8.392 -6.540 321 HD2 PHE 41 2HD PHE 41 -0.085 4.205 -7.271 322 HE1 PHE 41 1HE PHE 41 -1.102 7.953 -4.252 323 HE2 PHE 41 2HE PHE 41 -0.876 3.759 -4.984 324 HZ PHE 41 HZ PHE 41 -1.386 5.635 -3.471 325 H TYR 42 H TYR 42 2.107 8.081 -6.198 326 HA TYR 42 HA TYR 42 3.774 5.826 -5.293 327 HB2 TYR 42 1HB TYR 42 4.072 8.775 -4.731 328 HB3 TYR 42 2HB TYR 42 4.874 7.539 -3.768 329 HD1 TYR 42 2HD TYR 42 5.987 5.651 -5.495 330 HD2 TYR 42 1HD TYR 42 5.490 9.816 -6.210 331 HE1 TYR 42 2HE TYR 42 7.839 5.588 -7.112 332 HE2 TYR 42 1HE TYR 42 7.340 9.764 -7.830 333 HH TYR 42 HH TYR 42 9.068 6.743 -8.549 334 H VAL 43 H VAL 43 3.244 4.883 -3.404 335 HA VAL 43 HA VAL 43 0.830 5.840 -2.063 336 HB VAL 43 HB VAL 43 2.289 3.240 -1.595 337 HG11 VAL 43 1HG1 VAL 43 -0.603 3.417 -1.165 338 HG12 VAL 43 2HG1 VAL 43 0.654 2.692 -0.160 339 HG13 VAL 43 3HG1 VAL 43 0.357 4.429 -0.086 340 HG21 VAL 43 3HG2 VAL 43 1.179 2.234 -3.302 341 HG22 VAL 43 1HG2 VAL 43 -0.214 3.308 -3.175 342 HG23 VAL 43 2HG2 VAL 43 1.255 3.861 -3.979 343 H LEU 44 H LEU 44 1.791 7.591 -0.928 344 HA LEU 44 HA LEU 44 3.986 7.227 0.850 345 HB2 LEU 44 1HB LEU 44 1.926 9.378 0.492 346 HB3 LEU 44 2HB LEU 44 3.101 9.439 1.805 347 HG LEU 44 HG LEU 44 3.825 10.829 -0.037 348 HD11 LEU 44 1HD1 LEU 44 6.015 10.178 -0.020 349 HD12 LEU 44 2HD1 LEU 44 5.629 8.475 -0.264 350 HD13 LEU 44 3HD1 LEU 44 5.397 9.213 1.321 351 HD21 LEU 44 3HD2 LEU 44 4.110 10.100 -2.234 352 HD22 LEU 44 1HD2 LEU 44 2.576 9.378 -1.749 353 HD23 LEU 44 2HD2 LEU 44 4.041 8.397 -1.779 354 H PHE 45 H PHE 45 3.644 5.610 2.312 355 HA PHE 45 HA PHE 45 1.492 6.076 4.265 356 HB2 PHE 45 1HB PHE 45 1.215 3.656 4.514 357 HB3 PHE 45 2HB PHE 45 0.914 4.148 2.851 358 HD1 PHE 45 2HD PHE 45 3.461 2.651 5.085 359 HD2 PHE 45 1HD PHE 45 2.115 3.202 1.085 360 HE1 PHE 45 2HE PHE 45 5.113 1.002 4.305 361 HE2 PHE 45 1HE PHE 45 3.764 1.554 0.299 362 HZ PHE 45 HZ PHE 45 5.267 0.453 1.910 363 H GLU 46 H GLU 46 1.929 5.202 6.413 364 HA GLU 46 HA GLU 46 4.815 5.207 7.002 365 HB2 GLU 46 1HB GLU 46 3.181 7.043 7.910 366 HB3 GLU 46 2HB GLU 46 2.731 5.801 9.070 367 HG2 GLU 46 1HG GLU 46 5.481 5.760 9.139 368 HG3 GLU 46 2HG GLU 46 5.102 7.471 8.948 369 H LEU 47 H LEU 47 4.765 2.886 6.521 370 HA LEU 47 HA LEU 47 3.291 1.145 8.278 371 HB2 LEU 47 1HB LEU 47 3.700 0.421 6.028 372 HB3 LEU 47 2HB LEU 47 5.439 0.629 6.231 373 HG LEU 47 HG LEU 47 4.398 -1.753 6.277 374 HD11 LEU 47 1HD1 LEU 47 6.323 -2.458 7.229 375 HD12 LEU 47 2HD1 LEU 47 6.176 -1.365 8.604 376 HD13 LEU 47 3HD1 LEU 47 6.754 -0.756 7.053 377 HD21 LEU 47 3HD2 LEU 47 3.384 -2.496 8.181 378 HD22 LEU 47 1HD2 LEU 47 2.814 -0.827 8.180 379 HD23 LEU 47 2HD2 LEU 47 4.172 -1.294 9.204 380 H THR 48 H THR 48 3.874 0.785 10.305 381 HA THR 48 HA THR 48 6.681 1.099 11.078 382 HB THR 48 HB THR 48 4.425 0.631 13.008 383 HG1 THR 48 1HG THR 48 4.170 2.914 13.066 384 HG21 THR 48 3HG2 THR 48 6.628 0.526 13.960 385 HG22 THR 48 1HG2 THR 48 5.889 2.049 14.454 386 HG23 THR 48 2HG2 THR 48 7.095 2.029 13.166 387 H ASN 49 H ASN 49 7.923 -0.635 11.282 388 HA ASN 49 HA ASN 49 6.860 -3.282 11.154 389 HB2 ASN 49 1HB ASN 49 9.104 -2.499 10.238 390 HB3 ASN 49 2HB ASN 49 9.688 -2.535 11.900 391 HD21 ASN 49 1HD2 ASN 49 11.043 -4.204 11.915 392 HD22 ASN 49 2HD2 ASN 49 10.640 -5.819 11.453 393 H THR 50 H THR 50 5.458 -3.106 13.058 394 HA THR 50 HA THR 50 6.373 -2.759 15.672 395 HB THR 50 HB THR 50 4.342 -3.826 16.416 396 HG1 THR 50 1HG THR 50 3.745 -5.528 15.313 397 HG21 THR 50 3HG2 THR 50 3.792 -2.344 13.843 398 HG22 THR 50 1HG2 THR 50 4.152 -1.583 15.392 399 HG23 THR 50 2HG2 THR 50 2.683 -2.540 15.200 400 H THR 51 H THR 51 6.815 -5.374 13.505 401 HA THR 51 HA THR 51 7.063 -7.536 15.265 402 HB THR 51 HB THR 51 8.298 -8.665 13.542 403 HG1 THR 51 1HG THR 51 8.961 -7.349 11.658 404 HG21 THR 51 3HG2 THR 51 6.287 -6.790 12.292 405 HG22 THR 51 1HG2 THR 51 5.919 -8.319 13.088 406 HG23 THR 51 2HG2 THR 51 6.853 -8.306 11.592 407 H GLU 52 H GLU 52 9.531 -8.631 15.031 408 HA GLU 52 HA GLU 52 11.376 -6.681 16.229 409 HB2 GLU 52 1HB GLU 52 10.821 -9.460 17.283 410 HB3 GLU 52 2HB GLU 52 12.058 -8.369 17.892 411 HG2 GLU 52 1HG GLU 52 9.937 -6.773 18.146 412 HG3 GLU 52 2HG GLU 52 9.132 -8.335 18.290 413 H LYS 53 H LYS 53 11.115 -8.025 13.564 414 HA LYS 53 HA LYS 53 13.761 -9.323 13.514 415 HB2 LYS 53 1HB LYS 53 11.426 -9.816 11.656 416 HB3 LYS 53 2HB LYS 53 13.000 -10.596 11.560 417 HG2 LYS 53 1HG LYS 53 12.221 -11.107 14.144 418 HG3 LYS 53 2HG LYS 53 10.708 -11.209 13.241 419 HD2 LYS 53 1HD LYS 53 11.486 -13.369 13.061 420 HD3 LYS 53 2HD LYS 53 12.136 -12.647 11.587 421 HE2 LYS 53 1HE LYS 53 14.076 -12.129 13.489 422 HE3 LYS 53 2HE LYS 53 13.520 -13.753 13.892 423 HZ1 LYS 53 3HZ LYS 53 15.265 -13.014 11.864 424 HZ2 LYS 53 1HZ LYS 53 13.845 -13.528 11.101 425 HZ3 LYS 53 2HZ LYS 53 14.644 -14.556 12.180 426 H THR 54 H THR 54 14.970 -9.045 11.491 427 HA THR 54 HA THR 54 14.561 -6.342 10.418 428 HB THR 54 HB THR 54 17.080 -7.807 9.846 429 HG1 THR 54 1HG THR 54 16.848 -8.302 12.027 430 HG21 THR 54 3HG2 THR 54 17.929 -5.466 10.554 431 HG22 THR 54 1HG2 THR 54 16.234 -4.993 10.446 432 HG23 THR 54 2HG2 THR 54 17.065 -5.627 9.025 433 H GLN 55 H GLN 55 13.230 -8.894 9.526 434 HA GLN 55 HA GLN 55 14.260 -9.741 7.064 435 HB2 GLN 55 1HB GLN 55 11.337 -9.611 7.811 436 HB3 GLN 55 2HB GLN 55 12.088 -10.689 6.642 437 HG2 GLN 55 1HG GLN 55 12.897 -12.087 8.235 438 HG3 GLN 55 2HG GLN 55 13.076 -10.803 9.430 439 HE21 GLN 55 1HE2 GLN 55 10.672 -9.743 9.704 440 HE22 GLN 55 2HE2 GLN 55 9.511 -10.913 10.220 441 H ASN 56 H ASN 56 13.038 -9.406 4.941 442 HA ASN 56 HA ASN 56 13.408 -6.832 4.024 443 HB2 ASN 56 1HB ASN 56 13.060 -9.005 2.692 444 HB3 ASN 56 2HB ASN 56 11.338 -8.663 2.826 445 HD21 ASN 56 1HD2 ASN 56 14.374 -7.620 1.486 446 HD22 ASN 56 2HD2 ASN 56 13.712 -6.533 0.317 447 H ILE 57 H ILE 57 11.620 -5.466 2.973 448 HA ILE 57 HA ILE 57 9.626 -4.916 5.045 449 HB ILE 57 HB ILE 57 10.106 -3.131 2.689 450 HG12 ILE 57 1HG1 ILE 57 11.792 -3.241 5.200 451 HG13 ILE 57 2HG1 ILE 57 12.334 -3.637 3.573 452 HG21 ILE 57 1HG2 ILE 57 8.602 -1.926 3.794 453 HG22 ILE 57 2HG2 ILE 57 8.659 -3.024 5.173 454 HG23 ILE 57 3HG2 ILE 57 9.805 -1.688 5.061 455 HD11 ILE 57 3HD1 ILE 57 12.141 -1.074 4.891 456 HD12 ILE 57 1HD1 ILE 57 13.016 -1.534 3.430 457 HD13 ILE 57 2HD1 ILE 57 11.314 -1.080 3.333 458 H GLN 58 H GLN 58 9.868 -5.286 1.519 459 HA GLN 58 HA GLN 58 7.195 -4.986 0.862 460 HB2 GLN 58 1HB GLN 58 9.509 -5.687 -0.487 461 HB3 GLN 58 2HB GLN 58 8.490 -7.109 -0.663 462 HG2 GLN 58 1HG GLN 58 6.673 -5.587 -1.478 463 HG3 GLN 58 2HG GLN 58 7.869 -4.292 -1.503 464 HE21 GLN 58 1HE2 GLN 58 7.966 -7.711 -2.444 465 HE22 GLN 58 2HE2 GLN 58 8.508 -7.428 -4.059 466 H LEU 59 H LEU 59 8.762 -7.569 2.516 467 HA LEU 59 HA LEU 59 6.953 -9.658 1.963 468 HB2 LEU 59 1HB LEU 59 9.234 -9.239 3.596 469 HB3 LEU 59 2HB LEU 59 7.959 -9.906 4.614 470 HG LEU 59 HG LEU 59 9.300 -11.712 3.818 471 HD11 LEU 59 1HD1 LEU 59 6.720 -11.827 3.766 472 HD12 LEU 59 2HD1 LEU 59 7.649 -13.103 2.981 473 HD13 LEU 59 3HD1 LEU 59 6.917 -11.824 2.013 474 HD21 LEU 59 3HD2 LEU 59 9.990 -12.049 1.641 475 HD22 LEU 59 1HD2 LEU 59 10.060 -10.292 1.777 476 HD23 LEU 59 2HD2 LEU 59 8.695 -11.059 0.965 477 H MET 60 H MET 60 6.576 -6.804 3.740 478 HA MET 60 HA MET 60 4.339 -7.924 5.283 479 HB2 MET 60 1HB MET 60 5.552 -5.190 5.647 480 HB3 MET 60 2HB MET 60 4.527 -6.078 6.766 481 HG2 MET 60 1HG MET 60 6.768 -7.700 6.298 482 HG3 MET 60 2HG MET 60 7.376 -6.063 6.534 483 HE1 MET 60 3HE MET 60 5.718 -4.651 8.050 484 HE2 MET 60 1HE MET 60 4.704 -5.366 9.305 485 HE3 MET 60 2HE MET 60 6.345 -4.846 9.688 486 H ILE 61 H ILE 61 5.188 -5.019 3.397 487 HA ILE 61 HA ILE 61 2.630 -3.948 3.186 488 HB ILE 61 HB ILE 61 4.873 -3.792 1.168 489 HG12 ILE 61 1HG1 ILE 61 5.525 -2.984 3.386 490 HG13 ILE 61 2HG1 ILE 61 5.383 -1.643 2.255 491 HG21 ILE 61 1HG2 ILE 61 2.177 -2.663 1.223 492 HG22 ILE 61 2HG2 ILE 61 3.449 -1.470 0.963 493 HG23 ILE 61 3HG2 ILE 61 3.302 -2.853 -0.122 494 HD11 ILE 61 3HD1 ILE 61 3.356 -2.440 4.330 495 HD12 ILE 61 1HD1 ILE 61 4.447 -1.057 4.404 496 HD13 ILE 61 2HD1 ILE 61 3.179 -1.115 3.180 497 H GLN 62 H GLN 62 4.141 -6.554 1.421 498 HA GLN 62 HA GLN 62 2.254 -6.657 -0.707 499 HB2 GLN 62 1HB GLN 62 4.289 -8.595 0.365 500 HB3 GLN 62 2HB GLN 62 3.191 -9.046 -0.933 501 HG2 GLN 62 1HG GLN 62 4.049 -7.259 -2.321 502 HG3 GLN 62 2HG GLN 62 5.100 -6.721 -1.011 503 HE21 GLN 62 1HE2 GLN 62 6.166 -8.995 -0.068 504 HE22 GLN 62 2HE2 GLN 62 7.098 -9.789 -1.287 505 H SER 63 H SER 63 2.058 -7.478 2.556 506 HA SER 63 HA SER 63 -0.275 -9.203 2.036 507 HB2 SER 63 1HB SER 63 2.033 -9.637 3.726 508 HB3 SER 63 2HB SER 63 0.550 -9.661 4.681 509 HG SER 63 HG SER 63 1.467 -11.446 2.805 510 H PHE 64 H PHE 64 0.580 -6.198 2.928 511 HA PHE 64 HA PHE 64 -1.386 -5.906 5.069 512 HB2 PHE 64 1HB PHE 64 0.912 -4.322 4.085 513 HB3 PHE 64 2HB PHE 64 -0.457 -3.396 4.690 514 HD1 PHE 64 1HD PHE 64 -1.451 -4.735 6.946 515 HD2 PHE 64 2HD PHE 64 2.589 -4.466 5.632 516 HE1 PHE 64 1HE PHE 64 -0.679 -5.102 9.253 517 HE2 PHE 64 2HE PHE 64 3.367 -4.834 7.937 518 HZ PHE 64 HZ PHE 64 1.732 -5.153 9.751 519 H MET 65 H MET 65 -0.595 -4.065 2.115 520 HA MET 65 HA MET 65 -3.452 -3.444 1.837 521 HB2 MET 65 1HB MET 65 -2.671 -1.641 0.296 522 HB3 MET 65 2HB MET 65 -2.092 -1.469 1.948 523 HG2 MET 65 1HG MET 65 -0.022 -1.346 1.197 524 HG3 MET 65 2HG MET 65 -0.166 -2.980 0.553 525 HE1 MET 65 3HE MET 65 -0.446 0.966 -1.747 526 HE2 MET 65 1HE MET 65 -1.262 0.712 -0.204 527 HE3 MET 65 2HE MET 65 0.499 0.660 -0.289 528 H GLU 66 H GLU 66 -4.550 -3.819 -0.073 529 HA GLU 66 HA GLU 66 -3.122 -5.431 -2.085 530 HB2 GLU 66 1HB GLU 66 -4.559 -6.897 -0.807 531 HB3 GLU 66 2HB GLU 66 -5.925 -5.811 -1.023 532 HG2 GLU 66 1HG GLU 66 -5.948 -6.265 -3.402 533 HG3 GLU 66 2HG GLU 66 -4.529 -7.297 -3.236 534 H VAL 67 H VAL 67 -2.799 -3.477 -3.281 535 HA VAL 67 HA VAL 67 -5.066 -1.963 -4.207 536 HB VAL 67 HB VAL 67 -3.096 -0.694 -3.988 537 HG11 VAL 67 1HG1 VAL 67 -1.773 -2.969 -5.418 538 HG12 VAL 67 2HG1 VAL 67 -1.028 -1.370 -5.378 539 HG13 VAL 67 3HG1 VAL 67 -1.354 -2.229 -3.873 540 HG21 VAL 67 3HG2 VAL 67 -4.412 -0.272 -6.056 541 HG22 VAL 67 1HG2 VAL 67 -2.715 0.190 -6.190 542 HG23 VAL 67 2HG2 VAL 67 -3.284 -1.303 -6.936 543 H SER 68 H SER 68 -6.031 -2.015 -6.192 544 HA SER 68 HA SER 68 -5.007 -3.624 -8.344 545 HB2 SER 68 1HB SER 68 -7.623 -4.664 -8.014 546 HB3 SER 68 2HB SER 68 -6.093 -5.533 -7.904 547 HG SER 68 HG SER 68 -6.705 -5.808 -5.905 548 H GLN 69 H GLN 69 -5.764 -2.939 -10.275 549 HA GLN 69 HA GLN 69 -7.960 -0.975 -10.227 550 HB2 GLN 69 1HB GLN 69 -5.292 -0.898 -11.418 551 HB3 GLN 69 2HB GLN 69 -6.565 -0.496 -12.563 552 HG2 GLN 69 1HG GLN 69 -7.392 1.220 -11.012 553 HG3 GLN 69 2HG GLN 69 -6.069 0.838 -9.911 554 HE21 GLN 69 1HE2 GLN 69 -7.033 3.015 -12.077 555 HE22 GLN 69 2HE2 GLN 69 -5.511 3.557 -12.688 556 H THR 70 H THR 70 -9.131 -0.772 -12.330 557 HA THR 70 HA THR 70 -10.041 -3.355 -13.159 558 HB THR 70 HB THR 70 -10.786 -0.819 -14.581 559 HG1 THR 70 1HG THR 70 -11.193 -0.112 -12.585 560 HG21 THR 70 3HG2 THR 70 -13.064 -2.073 -14.341 561 HG22 THR 70 1HG2 THR 70 -12.044 -3.476 -14.026 562 HG23 THR 70 2HG2 THR 70 -11.896 -2.602 -15.551 563 H VAL 71 H VAL 71 -10.152 -4.087 -15.382 564 HA VAL 71 HA VAL 71 -8.697 -2.948 -17.492 565 HB VAL 71 HB VAL 71 -6.712 -3.438 -16.183 566 HG11 VAL 71 1HG1 VAL 71 -7.531 -6.337 -16.245 567 HG12 VAL 71 2HG1 VAL 71 -6.127 -5.634 -15.440 568 HG13 VAL 71 3HG1 VAL 71 -7.752 -5.279 -14.852 569 HG21 VAL 71 3HG2 VAL 71 -6.820 -5.538 -18.327 570 HG22 VAL 71 1HG2 VAL 71 -6.832 -3.817 -18.713 571 HG23 VAL 71 2HG2 VAL 71 -5.465 -4.517 -17.847 572 H HIS 72 H HIS 72 -9.592 -3.772 -19.258 573 HA HIS 72 HA HIS 72 -10.674 -5.170 -20.690 574 HB2 HIS 72 1HB HIS 72 -8.599 -6.661 -19.585 575 HB3 HIS 72 2HB HIS 72 -10.009 -7.704 -19.425 576 HD1 HIS 72 1HD HIS 72 -11.211 -8.402 -21.660 577 HD2 HIS 72 2HD HIS 72 -7.617 -6.377 -22.151 578 HE1 HIS 72 1HE HIS 72 -10.549 -8.779 -24.057 579 H GLY 73 H GLY 73 -11.780 -4.443 -17.920 580 HA2 GLY 73 1HA GLY 73 -14.009 -4.629 -17.213 581 HA3 GLY 73 2HA GLY 73 -14.174 -6.082 -18.188 582 H LYS 74 H LYS 74 -11.397 -5.934 -16.195 583 HA LYS 74 HA LYS 74 -12.700 -7.351 -13.999 584 HB2 LYS 74 1HB LYS 74 -10.955 -8.582 -16.004 585 HB3 LYS 74 2HB LYS 74 -10.425 -8.864 -14.350 586 HG2 LYS 74 1HG LYS 74 -12.751 -9.658 -13.846 587 HG3 LYS 74 2HG LYS 74 -13.073 -9.582 -15.580 588 HD2 LYS 74 1HD LYS 74 -10.845 -11.016 -15.677 589 HD3 LYS 74 2HD LYS 74 -11.344 -11.449 -14.040 590 HE2 LYS 74 1HE LYS 74 -13.636 -11.941 -15.090 591 HE3 LYS 74 2HE LYS 74 -12.784 -11.911 -16.633 592 HZ1 LYS 74 3HZ LYS 74 -12.068 -13.667 -14.348 593 HZ2 LYS 74 1HZ LYS 74 -11.371 -13.684 -15.890 594 HZ3 LYS 74 2HZ LYS 74 -12.983 -14.154 -15.686 595 H ALA 75 H ALA 75 -11.561 -7.294 -12.049 596 HA ALA 75 HA ALA 75 -9.671 -5.114 -11.840 597 HB1 ALA 75 1HB ALA 75 -9.856 -5.500 -9.410 598 HB2 ALA 75 2HB ALA 75 -11.424 -5.273 -10.187 599 HB3 ALA 75 3HB ALA 75 -10.891 -6.892 -9.733 600 H GLN 76 H GLN 76 -7.526 -5.272 -11.610 601 HA GLN 76 HA GLN 76 -6.375 -7.921 -11.039 602 HB2 GLN 76 1HB GLN 76 -4.709 -7.645 -12.699 603 HB3 GLN 76 2HB GLN 76 -6.232 -7.228 -13.474 604 HG2 GLN 76 1HG GLN 76 -5.745 -4.937 -13.449 605 HG3 GLN 76 2HG GLN 76 -4.437 -5.143 -12.286 606 HE21 GLN 76 1HE2 GLN 76 -2.931 -4.130 -13.584 607 HE22 GLN 76 2HE2 GLN 76 -2.303 -4.854 -15.022 608 H ASN 77 H ASN 77 -4.438 -7.952 -9.874 609 HA ASN 77 HA ASN 77 -4.118 -5.808 -8.023 610 HB2 ASN 77 1HB ASN 77 -2.494 -7.172 -6.953 611 HB3 ASN 77 2HB ASN 77 -3.721 -8.277 -7.565 612 HD21 ASN 77 1HD2 ASN 77 -3.266 -9.403 -9.554 613 HD22 ASN 77 2HD2 ASN 77 -1.631 -9.779 -9.965 614 H LEU 78 H LEU 78 -2.836 -4.083 -8.131 615 HA LEU 78 HA LEU 78 -1.170 -3.693 -10.457 616 HB2 LEU 78 1HB LEU 78 -1.701 -1.913 -8.083 617 HB3 LEU 78 2HB LEU 78 -0.812 -1.441 -9.530 618 HG LEU 78 HG LEU 78 -3.718 -2.249 -9.500 619 HD11 LEU 78 1HD1 LEU 78 -3.161 0.511 -10.137 620 HD12 LEU 78 2HD1 LEU 78 -2.610 0.100 -8.513 621 HD13 LEU 78 3HD1 LEU 78 -4.292 -0.171 -8.968 622 HD21 LEU 78 3HD2 LEU 78 -3.169 -0.694 -11.722 623 HD22 LEU 78 1HD2 LEU 78 -3.395 -2.443 -11.695 624 HD23 LEU 78 2HD2 LEU 78 -1.771 -1.762 -11.593 625 H GLN 79 H GLN 79 0.908 -4.196 -10.564 626 HA GLN 79 HA GLN 79 2.368 -4.754 -8.093 627 HB2 GLN 79 1HB GLN 79 3.220 -5.281 -10.943 628 HB3 GLN 79 2HB GLN 79 3.976 -5.906 -9.484 629 HG2 GLN 79 1HG GLN 79 1.275 -6.670 -9.370 630 HG3 GLN 79 2HG GLN 79 1.824 -6.992 -11.014 631 HE21 GLN 79 1HE2 GLN 79 1.331 -8.493 -8.275 632 HE22 GLN 79 2HE2 GLN 79 2.630 -9.631 -8.261 633 H TYR 80 H TYR 80 4.870 -4.261 -8.439 634 HA TYR 80 HA TYR 80 5.267 -1.574 -8.085 635 HB2 TYR 80 1HB TYR 80 6.940 -3.297 -7.539 636 HB3 TYR 80 2HB TYR 80 7.254 -3.535 -9.254 637 HD1 TYR 80 1HD TYR 80 7.321 -0.893 -6.622 638 HD2 TYR 80 2HD TYR 80 8.939 -2.315 -10.292 639 HE1 TYR 80 1HE TYR 80 9.029 0.875 -6.548 640 HE2 TYR 80 2HE TYR 80 10.652 -0.551 -10.227 641 HH TYR 80 HH TYR 80 10.888 1.746 -9.171 642 H ALA 81 H ALA 81 5.098 0.134 -9.362 643 HA ALA 81 HA ALA 81 4.797 -0.168 -12.210 644 HB1 ALA 81 1HB ALA 81 4.978 2.560 -11.606 645 HB2 ALA 81 2HB ALA 81 3.514 1.611 -11.867 646 HB3 ALA 81 3HB ALA 81 4.153 1.816 -10.236 647 H VAL 82 H VAL 82 6.334 0.019 -13.703 648 HA VAL 82 HA VAL 82 9.051 0.524 -12.944 649 HB VAL 82 HB VAL 82 7.833 0.136 -15.681 650 HG11 VAL 82 1HG1 VAL 82 10.299 -0.514 -16.168 651 HG12 VAL 82 2HG1 VAL 82 9.840 1.190 -16.147 652 HG13 VAL 82 3HG1 VAL 82 10.655 0.478 -14.754 653 HG21 VAL 82 3HG2 VAL 82 8.846 -2.133 -15.478 654 HG22 VAL 82 1HG2 VAL 82 9.211 -1.766 -13.792 655 HG23 VAL 82 2HG2 VAL 82 7.536 -1.829 -14.338 656 H LEU 83 H LEU 83 10.355 2.250 -13.468 657 HA LEU 83 HA LEU 83 9.277 4.480 -14.979 658 HB2 LEU 83 1HB LEU 83 9.998 6.030 -13.051 659 HB3 LEU 83 2HB LEU 83 8.434 5.223 -12.963 660 HG LEU 83 HG LEU 83 10.460 3.627 -11.681 661 HD11 LEU 83 1HD1 LEU 83 10.055 6.170 -10.205 662 HD12 LEU 83 2HD1 LEU 83 11.278 6.133 -11.475 663 HD13 LEU 83 3HD1 LEU 83 11.379 5.007 -10.121 664 HD21 LEU 83 3HD2 LEU 83 7.838 3.861 -11.468 665 HD22 LEU 83 1HD2 LEU 83 8.281 5.018 -10.213 666 HD23 LEU 83 2HD2 LEU 83 8.832 3.346 -10.105 667 H THR 84 H THR 84 10.839 5.750 -15.898 668 HA THR 84 HA THR 84 13.416 4.679 -16.210 669 HB THR 84 HB THR 84 13.942 6.583 -17.531 670 HG1 THR 84 1HG THR 84 12.370 8.428 -17.420 671 HG21 THR 84 3HG2 THR 84 12.448 6.114 -19.126 672 HG22 THR 84 1HG2 THR 84 11.122 6.795 -18.184 673 HG23 THR 84 2HG2 THR 84 11.616 5.121 -17.929 674 H ASP 85 H ASP 85 12.234 7.385 -14.250 675 HA ASP 85 HA ASP 85 14.150 7.036 -12.229 676 HB2 ASP 85 1HB ASP 85 15.439 8.081 -14.311 677 HB3 ASP 85 2HB ASP 85 14.773 9.576 -13.659 678 H SER 86 H SER 86 13.780 8.373 -10.457 679 HA SER 86 HA SER 86 11.976 10.623 -10.683 680 HB2 SER 86 1HB SER 86 11.158 8.033 -9.379 681 HB3 SER 86 2HB SER 86 10.450 9.573 -8.889 682 HG SER 86 HG SER 86 9.693 9.853 -10.984 683 HA PRO 87 HA PRO 87 14.188 12.048 -7.173 684 HB2 PRO 87 1HB PRO 87 12.309 13.545 -5.908 685 HB3 PRO 87 2HB PRO 87 13.076 14.044 -7.420 686 HG2 PRO 87 1HG PRO 87 10.407 12.761 -6.983 687 HG3 PRO 87 2HG PRO 87 10.842 14.100 -8.061 688 HD2 PRO 87 1HD PRO 87 10.526 11.561 -8.947 689 HD3 PRO 87 2HD PRO 87 11.683 12.691 -9.679 690 H PHE 88 H PHE 88 11.312 10.179 -6.749 691 HA PHE 88 HA PHE 88 11.758 9.860 -3.884 692 HB2 PHE 88 1HB PHE 88 9.549 9.122 -5.768 693 HB3 PHE 88 2HB PHE 88 9.690 8.280 -4.228 694 HD1 PHE 88 1HD PHE 88 10.151 11.845 -5.225 695 HD2 PHE 88 2HD PHE 88 8.084 9.041 -2.779 696 HE1 PHE 88 1HE PHE 88 8.968 13.693 -4.112 697 HE2 PHE 88 2HE PHE 88 6.897 10.885 -1.663 698 HZ PHE 88 HZ PHE 88 7.337 13.214 -2.330 699 H GLN 89 H GLN 89 13.809 8.882 -5.539 700 HA GLN 89 HA GLN 89 13.470 6.009 -5.741 701 HB2 GLN 89 1HB GLN 89 15.058 7.895 -7.053 702 HB3 GLN 89 2HB GLN 89 16.189 6.952 -6.092 703 HG2 GLN 89 1HG GLN 89 14.190 5.407 -7.602 704 HG3 GLN 89 2HG GLN 89 15.387 6.275 -8.563 705 HE21 GLN 89 1HE2 GLN 89 15.021 3.993 -5.900 706 HE22 GLN 89 2HE2 GLN 89 16.513 3.164 -6.167 707 H ASP 90 H ASP 90 14.370 8.200 -3.363 708 HA ASP 90 HA ASP 90 16.323 6.558 -2.031 709 HB2 ASP 90 1HB ASP 90 15.436 9.241 -1.841 710 HB3 ASP 90 2HB ASP 90 15.142 8.493 -0.273 711 H LYS 91 H LYS 91 12.988 6.469 -2.316 712 HA LYS 91 HA LYS 91 12.744 4.918 0.179 713 HB2 LYS 91 1HB LYS 91 10.251 5.528 -0.038 714 HB3 LYS 91 2HB LYS 91 11.359 6.768 0.536 715 HG2 LYS 91 1HG LYS 91 11.119 6.836 -2.338 716 HG3 LYS 91 2HG LYS 91 9.543 6.976 -1.555 717 HD2 LYS 91 1HD LYS 91 10.199 9.179 -1.611 718 HD3 LYS 91 2HD LYS 91 10.802 8.694 -0.025 719 HE2 LYS 91 1HE LYS 91 13.014 8.531 -0.798 720 HE3 LYS 91 2HE LYS 91 12.512 8.529 -2.488 721 HZ1 LYS 91 3HZ LYS 91 13.060 10.684 -2.388 722 HZ2 LYS 91 1HZ LYS 91 12.961 10.755 -0.700 723 HZ3 LYS 91 2HZ LYS 91 11.558 10.885 -1.635 724 H LEU 92 H LEU 92 12.972 4.627 -3.056 725 HA LEU 92 HA LEU 92 10.903 2.623 -3.432 726 HB2 LEU 92 1HB LEU 92 12.943 3.917 -5.193 727 HB3 LEU 92 2HB LEU 92 12.153 2.427 -5.705 728 HG LEU 92 HG LEU 92 10.666 4.947 -4.980 729 HD11 LEU 92 1HD1 LEU 92 11.552 5.746 -6.883 730 HD12 LEU 92 2HD1 LEU 92 10.371 4.689 -7.655 731 HD13 LEU 92 3HD1 LEU 92 12.038 4.149 -7.453 732 HD21 LEU 92 3HD2 LEU 92 9.572 2.840 -6.750 733 HD22 LEU 92 1HD2 LEU 92 8.759 3.871 -5.572 734 HD23 LEU 92 2HD2 LEU 92 9.683 2.471 -5.028 735 H ASP 93 H ASP 93 14.245 2.793 -2.613 736 HA ASP 93 HA ASP 93 14.835 0.062 -3.341 737 HB2 ASP 93 1HB ASP 93 16.387 2.160 -1.820 738 HB3 ASP 93 2HB ASP 93 16.994 0.531 -2.107 739 H ARG 94 H ARG 94 13.001 1.340 -0.977 740 HA ARG 94 HA ARG 94 13.891 0.013 1.355 741 HB2 ARG 94 1HB ARG 94 11.051 0.797 0.687 742 HB3 ARG 94 2HB ARG 94 11.734 0.547 2.288 743 HG2 ARG 94 1HG ARG 94 12.600 2.711 0.384 744 HG3 ARG 94 2HG ARG 94 11.437 2.926 1.693 745 HD2 ARG 94 1HD ARG 94 14.324 2.101 1.976 746 HD3 ARG 94 2HD ARG 94 13.643 3.677 2.380 747 HE ARG 94 HE ARG 94 12.190 2.012 3.910 748 HH11 ARG 94 1HH1 ARG 94 15.618 2.351 3.411 749 HH12 ARG 94 2HH1 ARG 94 16.035 1.820 5.007 750 HH21 ARG 94 1HH2 ARG 94 12.726 1.311 6.014 751 HH22 ARG 94 2HH2 ARG 94 14.389 1.227 6.486 752 H LEU 95 H LEU 95 11.482 -0.851 -1.106 753 HA LEU 95 HA LEU 95 10.544 -3.209 0.022 754 HB2 LEU 95 1HB LEU 95 10.975 -2.869 -2.928 755 HB3 LEU 95 2HB LEU 95 9.704 -3.770 -2.103 756 HG LEU 95 HG LEU 95 9.966 -0.773 -2.316 757 HD11 LEU 95 1HD1 LEU 95 9.119 -1.728 -4.333 758 HD12 LEU 95 2HD1 LEU 95 7.762 -1.020 -3.457 759 HD13 LEU 95 3HD1 LEU 95 8.007 -2.766 -3.439 760 HD21 LEU 95 3HD2 LEU 95 7.906 -0.638 -1.047 761 HD22 LEU 95 1HD2 LEU 95 9.149 -1.449 -0.095 762 HD23 LEU 95 2HD2 LEU 95 7.873 -2.392 -0.866 763 H ALA 96 H ALA 96 13.567 -2.530 -1.516 764 HA ALA 96 HA ALA 96 14.238 -5.390 -1.588 765 HB1 ALA 96 1HB ALA 96 14.674 -3.411 -3.453 766 HB2 ALA 96 2HB ALA 96 16.244 -3.584 -2.667 767 HB3 ALA 96 3HB ALA 96 15.468 -4.985 -3.404 768 H ASP 97 H ASP 97 14.117 -3.675 0.840 769 HA ASP 97 HA ASP 97 16.821 -4.267 1.805 770 HB2 ASP 97 1HB ASP 97 15.858 -1.652 1.361 771 HB3 ASP 97 2HB ASP 97 15.830 -1.897 3.106 772 H GLU 98 H GLU 98 16.597 -3.452 4.390 773 HA GLU 98 HA GLU 98 14.570 -5.301 5.405 774 HB2 GLU 98 1HB GLU 98 16.903 -4.026 6.844 775 HB3 GLU 98 2HB GLU 98 15.851 -5.282 7.484 776 HG2 GLU 98 1HG GLU 98 16.797 -6.925 6.209 777 HG3 GLU 98 2HG GLU 98 17.305 -5.805 4.946 778 H ILE 99 H ILE 99 14.000 -4.539 7.854 779 HA ILE 99 HA ILE 99 12.953 -1.793 7.610 780 HB ILE 99 HB ILE 99 11.207 -2.968 9.338 781 HG12 ILE 99 1HG1 ILE 99 10.494 -5.091 8.221 782 HG13 ILE 99 2HG1 ILE 99 11.963 -5.026 7.254 783 HG21 ILE 99 1HG2 ILE 99 9.920 -1.941 7.850 784 HG22 ILE 99 2HG2 ILE 99 11.210 -1.981 6.650 785 HG23 ILE 99 3HG2 ILE 99 10.093 -3.338 6.788 786 HD11 ILE 99 3HD1 ILE 99 12.549 -4.785 10.066 787 HD12 ILE 99 1HD1 ILE 99 11.633 -6.251 9.716 788 HD13 ILE 99 2HD1 ILE 99 13.155 -5.940 8.879 789 H ASN 100 H ASN 100 12.202 -0.979 9.858 790 HA ASN 100 HA ASN 100 14.371 -1.552 11.763 791 HB2 ASN 100 1HB ASN 100 13.080 0.929 10.859 792 HB3 ASN 100 2HB ASN 100 13.285 0.820 12.604 793 HD21 ASN 100 1HD2 ASN 100 15.335 -0.504 10.060 794 HD22 ASN 100 2HD2 ASN 100 16.741 0.415 10.467 795 HA PRO 101 HA PRO 101 10.678 -3.232 13.888 796 HB2 PRO 101 1HB PRO 101 12.074 -5.107 15.268 797 HB3 PRO 101 2HB PRO 101 11.515 -5.353 13.609 798 HG2 PRO 101 1HG PRO 101 14.227 -4.554 14.595 799 HG3 PRO 101 2HG PRO 101 13.795 -5.716 13.327 800 HD2 PRO 101 1HD PRO 101 14.623 -3.197 12.776 801 HD3 PRO 101 2HD PRO 101 13.458 -4.064 11.755 802 H GLY 102 H GLY 102 10.242 -1.531 15.258 803 HA2 GLY 102 1HA GLY 102 10.140 -1.151 17.675 804 HA3 GLY 102 2HA GLY 102 11.874 -1.436 17.719 805 H GLU 103 H GLU 103 11.203 0.292 14.974 806 HA GLU 103 HA GLU 103 11.737 2.845 16.347 807 HB2 GLU 103 1HB GLU 103 13.541 1.727 14.815 808 HB3 GLU 103 2HB GLU 103 12.545 2.346 13.505 809 HG2 GLU 103 1HG GLU 103 13.158 4.477 13.862 810 HG3 GLU 103 2HG GLU 103 13.200 4.285 15.613 811 H THR 104 H THR 104 11.224 4.751 14.765 812 HA THR 104 HA THR 104 8.554 4.251 13.617 813 HB THR 104 HB THR 104 9.563 6.765 14.962 814 HG1 THR 104 1HG THR 104 8.185 6.195 16.599 815 HG21 THR 104 3HG2 THR 104 7.023 7.310 14.727 816 HG22 THR 104 1HG2 THR 104 7.085 6.150 13.401 817 HG23 THR 104 2HG2 THR 104 8.104 7.589 13.362 818 H ILE 105 H ILE 105 9.101 4.005 11.488 819 HA ILE 105 HA ILE 105 10.091 6.415 10.148 820 HB ILE 105 HB ILE 105 11.601 5.215 8.733 821 HG12 ILE 105 1HG1 ILE 105 11.841 2.648 9.788 822 HG13 ILE 105 2HG1 ILE 105 10.103 2.913 9.692 823 HG21 ILE 105 1HG2 ILE 105 13.229 4.333 10.405 824 HG22 ILE 105 2HG2 ILE 105 12.586 5.928 10.790 825 HG23 ILE 105 3HG2 ILE 105 11.978 4.505 11.635 826 HD11 ILE 105 3HD1 ILE 105 12.000 2.359 7.600 827 HD12 ILE 105 1HD1 ILE 105 10.237 2.317 7.566 828 HD13 ILE 105 2HD1 ILE 105 11.089 3.832 7.266 829 H GLN 106 H GLN 106 10.080 5.632 7.574 830 HA GLN 106 HA GLN 106 7.752 4.103 6.894 831 HB2 GLN 106 1HB GLN 106 6.472 5.919 5.885 832 HB3 GLN 106 2HB GLN 106 6.689 6.197 7.608 833 HG2 GLN 106 1HG GLN 106 8.626 7.691 7.001 834 HG3 GLN 106 2HG GLN 106 8.088 7.559 5.328 835 HE21 GLN 106 1HE2 GLN 106 7.646 9.096 8.323 836 HE22 GLN 106 2HE2 GLN 106 6.283 10.067 7.894 837 H GLY 107 H GLY 107 7.224 4.736 4.399 838 HA2 GLY 107 1HA GLY 107 9.559 5.435 2.869 839 HA3 GLY 107 2HA GLY 107 9.216 3.711 2.846 840 H ALA 108 H ALA 108 8.687 3.580 0.693 841 HA ALA 108 HA ALA 108 6.073 4.690 -0.006 842 HB1 ALA 108 1HB ALA 108 7.814 6.239 -0.880 843 HB2 ALA 108 2HB ALA 108 8.433 4.914 -1.866 844 HB3 ALA 108 3HB ALA 108 6.799 5.522 -2.132 845 H TYR 109 H TYR 109 5.411 3.759 -2.254 846 HA TYR 109 HA TYR 109 6.485 1.318 -3.145 847 HB2 TYR 109 1HB TYR 109 5.472 0.764 -0.803 848 HB3 TYR 109 2HB TYR 109 3.929 0.841 -1.646 849 HD1 TYR 109 1HD TYR 109 5.033 -0.287 -4.304 850 HD2 TYR 109 2HD TYR 109 5.352 -1.566 -0.259 851 HE1 TYR 109 1HE TYR 109 5.331 -2.606 -5.067 852 HE2 TYR 109 2HE TYR 109 5.653 -3.889 -1.011 853 HH TYR 109 HH TYR 109 4.840 -5.027 -3.833 854 HA PRO 110 HA PRO 110 3.496 3.388 -5.963 855 HB2 PRO 110 1HB PRO 110 5.049 3.086 -8.169 856 HB3 PRO 110 2HB PRO 110 5.233 4.435 -7.043 857 HG2 PRO 110 1HG PRO 110 6.814 1.900 -7.236 858 HG3 PRO 110 2HG PRO 110 7.387 3.559 -6.981 859 HD2 PRO 110 1HD PRO 110 7.129 1.779 -4.957 860 HD3 PRO 110 2HD PRO 110 6.879 3.522 -4.733 861 H TYR 111 H TYR 111 2.414 2.535 -7.884 862 HA TYR 111 HA TYR 111 2.788 -0.302 -8.432 863 HB2 TYR 111 1HB TYR 111 0.184 0.847 -7.409 864 HB3 TYR 111 2HB TYR 111 0.364 -0.764 -8.095 865 HD1 TYR 111 2HD TYR 111 2.081 -2.325 -6.934 866 HD2 TYR 111 1HD TYR 111 0.465 1.169 -5.123 867 HE1 TYR 111 2HE TYR 111 2.676 -3.206 -4.717 868 HE2 TYR 111 1HE TYR 111 1.057 0.298 -2.900 869 HH TYR 111 HH TYR 111 2.310 -2.953 -2.476 870 H GLU 112 H GLU 112 1.456 -1.035 -10.278 871 HA GLU 112 HA GLU 112 1.755 0.559 -12.508 872 HB2 GLU 112 1HB GLU 112 0.197 -1.885 -11.881 873 HB3 GLU 112 2HB GLU 112 -0.267 -1.010 -13.334 874 HG2 GLU 112 1HG GLU 112 1.335 -2.110 -14.390 875 HG3 GLU 112 2HG GLU 112 2.496 -1.149 -13.477 876 H PHE 113 H PHE 113 0.805 2.372 -13.125 877 HA PHE 113 HA PHE 113 -1.973 2.867 -12.276 878 HB2 PHE 113 1HB PHE 113 0.032 4.323 -11.357 879 HB3 PHE 113 2HB PHE 113 -0.132 5.133 -12.911 880 HD1 PHE 113 1HD PHE 113 -2.777 3.705 -10.730 881 HD2 PHE 113 2HD PHE 113 -1.018 7.211 -12.383 882 HE1 PHE 113 1HE PHE 113 -4.625 5.055 -9.826 883 HE2 PHE 113 2HE PHE 113 -2.863 8.566 -11.481 884 HZ PHE 113 HZ PHE 113 -4.669 7.488 -10.200 885 H ILE 114 H ILE 114 -0.485 1.815 -14.812 886 HA ILE 114 HA ILE 114 -0.658 3.425 -16.977 887 HB ILE 114 HB ILE 114 -1.752 0.611 -16.925 888 HG12 ILE 114 1HG1 ILE 114 0.862 0.618 -17.937 889 HG13 ILE 114 2HG1 ILE 114 0.923 1.638 -16.503 890 HG21 ILE 114 1HG2 ILE 114 -0.728 2.375 -19.136 891 HG22 ILE 114 2HG2 ILE 114 -0.904 0.629 -19.301 892 HG23 ILE 114 3HG2 ILE 114 -2.320 1.632 -18.985 893 HD11 ILE 114 3HD1 ILE 114 -0.582 -0.726 -15.937 894 HD12 ILE 114 1HD1 ILE 114 0.979 -1.157 -16.635 895 HD13 ILE 114 2HD1 ILE 114 0.907 -0.141 -15.195 896 H ASN 115 H ASN 115 -3.359 2.034 -15.212 897 HA ASN 115 HA ASN 115 -5.292 3.097 -17.104 898 HB2 ASN 115 1HB ASN 115 -5.436 1.341 -14.684 899 HB3 ASN 115 2HB ASN 115 -6.891 2.170 -15.230 900 HD21 ASN 115 1HD2 ASN 115 -7.630 1.764 -17.388 901 HD22 ASN 115 2HD2 ASN 115 -7.282 0.251 -18.147 902 H GLU 116 H GLU 116 -3.833 5.153 -16.115 903 HA GLU 116 HA GLU 116 -4.693 6.369 -13.765 904 HB2 GLU 116 1HB GLU 116 -3.959 8.501 -14.828 905 HB3 GLU 116 2HB GLU 116 -2.769 7.212 -14.933 906 HG2 GLU 116 1HG GLU 116 -2.637 7.690 -17.093 907 HG3 GLU 116 2HG GLU 116 -4.215 6.921 -17.255 908 H ASN 117 H ASN 117 -6.099 6.411 -16.995 909 HA ASN 117 HA ASN 117 -8.027 8.414 -16.530 910 HB2 ASN 117 1HB ASN 117 -8.524 6.127 -18.408 911 HB3 ASN 117 2HB ASN 117 -8.935 7.828 -18.598 912 HD21 ASN 117 1HD2 ASN 117 -6.328 5.494 -18.656 913 HD22 ASN 117 2HD2 ASN 117 -5.251 6.437 -19.624 914 H LYS 118 H LYS 118 -7.868 5.078 -15.643 915 HA LYS 118 HA LYS 118 -10.701 5.068 -14.878 916 HB2 LYS 118 1HB LYS 118 -8.748 2.761 -14.893 917 HB3 LYS 118 2HB LYS 118 -10.488 2.663 -14.658 918 HG2 LYS 118 1HG LYS 118 -9.350 3.811 -17.175 919 HG3 LYS 118 2HG LYS 118 -9.503 2.065 -16.958 920 HD2 LYS 118 1HD LYS 118 -11.942 2.552 -16.332 921 HD3 LYS 118 2HD LYS 118 -11.667 4.148 -17.035 922 HE2 LYS 118 1HE LYS 118 -10.849 2.922 -19.106 923 HE3 LYS 118 2HE LYS 118 -11.526 1.463 -18.384 924 HZ1 LYS 118 3HZ LYS 118 -13.685 2.613 -18.284 925 HZ2 LYS 118 1HZ LYS 118 -13.118 2.434 -19.868 926 HZ3 LYS 118 2HZ LYS 118 -13.009 3.935 -19.096 927 HA PRO 119 HA PRO 119 -9.845 5.497 -10.594 928 HB2 PRO 119 1HB PRO 119 -11.803 3.962 -9.508 929 HB3 PRO 119 2HB PRO 119 -12.118 5.529 -10.264 930 HG2 PRO 119 1HG PRO 119 -12.453 2.778 -11.396 931 HG3 PRO 119 2HG PRO 119 -13.532 4.180 -11.524 932 HD2 PRO 119 1HD PRO 119 -11.854 3.447 -13.518 933 HD3 PRO 119 2HD PRO 119 -12.291 5.140 -13.212 934 H VAL 120 H VAL 120 -9.017 4.431 -8.748 935 HA VAL 120 HA VAL 120 -8.128 1.663 -9.245 936 HB VAL 120 HB VAL 120 -6.162 2.935 -9.282 937 HG11 VAL 120 1HG1 VAL 120 -7.192 5.032 -8.476 938 HG12 VAL 120 2HG1 VAL 120 -7.093 4.417 -6.825 939 HG13 VAL 120 3HG1 VAL 120 -5.618 4.717 -7.747 940 HG21 VAL 120 3HG2 VAL 120 -6.093 0.993 -7.737 941 HG22 VAL 120 1HG2 VAL 120 -4.938 2.259 -7.323 942 HG23 VAL 120 2HG2 VAL 120 -6.430 2.090 -6.399 943 H HIS 121 H HIS 121 -9.047 0.235 -7.941 944 HA HIS 121 HA HIS 121 -10.366 1.071 -5.511 945 HB2 HIS 121 1HB HIS 121 -10.033 -1.749 -6.541 946 HB3 HIS 121 2HB HIS 121 -11.246 -1.155 -5.410 947 HD1 HIS 121 1HD HIS 121 -10.268 -0.751 -9.055 948 HD2 HIS 121 2HD HIS 121 -13.581 -0.386 -6.574 949 HE1 HIS 121 1HE HIS 121 -12.210 -0.300 -10.588 950 H PHE 122 H PHE 122 -8.485 1.773 -4.340 951 HA PHE 122 HA PHE 122 -6.381 -0.029 -3.678 952 HB2 PHE 122 1HB PHE 122 -7.253 2.656 -2.651 953 HB3 PHE 122 2HB PHE 122 -5.996 1.748 -1.816 954 HD1 PHE 122 2HD PHE 122 -4.026 0.917 -3.301 955 HD2 PHE 122 1HD PHE 122 -6.678 4.067 -4.378 956 HE1 PHE 122 2HE PHE 122 -2.352 1.780 -4.883 957 HE2 PHE 122 1HE PHE 122 -5.008 4.935 -5.963 958 HZ PHE 122 HZ PHE 122 -2.841 3.792 -6.216 959 H LYS 123 H LYS 123 -6.421 -1.648 -2.279 960 HA LYS 123 HA LYS 123 -8.520 -1.675 -0.215 961 HB2 LYS 123 1HB LYS 123 -7.975 -3.565 -2.130 962 HB3 LYS 123 2HB LYS 123 -7.106 -4.193 -0.736 963 HG2 LYS 123 1HG LYS 123 -9.175 -4.069 0.586 964 HG3 LYS 123 2HG LYS 123 -10.035 -3.502 -0.847 965 HD2 LYS 123 1HD LYS 123 -8.555 -5.896 -1.447 966 HD3 LYS 123 2HD LYS 123 -9.603 -6.155 -0.050 967 HE2 LYS 123 1HE LYS 123 -11.450 -5.095 -1.443 968 HE3 LYS 123 2HE LYS 123 -10.367 -5.273 -2.822 969 HZ1 LYS 123 3HZ LYS 123 -10.273 -7.669 -2.337 970 HZ2 LYS 123 1HZ LYS 123 -11.837 -7.146 -2.711 971 HZ3 LYS 123 2HZ LYS 123 -11.412 -7.457 -1.104 972 H PHE 124 H PHE 124 -7.973 -2.612 1.864 973 HA PHE 124 HA PHE 124 -5.139 -2.740 2.528 974 HB2 PHE 124 1HB PHE 124 -7.066 -0.786 3.794 975 HB3 PHE 124 2HB PHE 124 -5.506 -1.208 4.494 976 HD1 PHE 124 2HD PHE 124 -7.173 0.423 1.647 977 HD2 PHE 124 1HD PHE 124 -3.486 -0.298 3.647 978 HE1 PHE 124 2HE PHE 124 -6.095 2.161 0.279 979 HE2 PHE 124 1HE PHE 124 -2.402 1.440 2.283 980 HZ PHE 124 HZ PHE 124 -3.707 2.671 0.596 981 H ARG 125 H ARG 125 -5.404 -4.906 3.011 982 HA ARG 125 HA ARG 125 -6.753 -5.437 5.548 983 HB2 ARG 125 1HB ARG 125 -8.422 -6.109 3.965 984 HB3 ARG 125 2HB ARG 125 -7.234 -6.963 2.990 985 HG2 ARG 125 1HG ARG 125 -8.557 -8.545 4.224 986 HG3 ARG 125 2HG ARG 125 -6.903 -8.557 4.839 987 HD2 ARG 125 1HD ARG 125 -7.591 -8.002 6.880 988 HD3 ARG 125 2HD ARG 125 -8.492 -6.622 6.254 989 HE ARG 125 HE ARG 125 -10.103 -8.704 5.669 990 HH11 ARG 125 1HH1 ARG 125 -8.511 -7.685 8.592 991 HH12 ARG 125 2HH1 ARG 125 -9.733 -8.331 9.637 992 HH21 ARG 125 1HH2 ARG 125 -11.718 -9.559 7.034 993 HH22 ARG 125 2HH2 ARG 125 -11.556 -9.397 8.750 994 H ASP 126 H ASP 126 -5.519 -6.608 6.870 995 HA ASP 126 HA ASP 126 -2.992 -7.631 5.897 996 HB2 ASP 126 1HB ASP 126 -2.533 -8.080 8.296 997 HB3 ASP 126 2HB ASP 126 -2.995 -6.407 7.992 998 H ARG 127 H ARG 127 -2.989 -9.563 4.948 999 HA ARG 127 HA ARG 127 -4.912 -11.596 5.626 1000 HB2 ARG 127 1HB ARG 127 -3.986 -12.857 3.831 1001 HB3 ARG 127 2HB ARG 127 -4.029 -11.180 3.303 1002 HG2 ARG 127 1HG ARG 127 -1.641 -10.967 3.849 1003 HG3 ARG 127 2HG ARG 127 -1.614 -12.670 4.309 1004 HD2 ARG 127 1HD ARG 127 -0.836 -12.714 2.125 1005 HD3 ARG 127 2HD ARG 127 -2.549 -13.086 1.938 1006 HE ARG 127 HE ARG 127 -2.156 -10.306 1.717 1007 HH11 ARG 127 1HH1 ARG 127 -1.564 -13.268 -0.013 1008 HH12 ARG 127 2HH1 ARG 127 -1.612 -12.518 -1.575 1009 HH21 ARG 127 1HH2 ARG 127 -2.223 -9.307 -0.332 1010 HH22 ARG 127 2HH2 ARG 127 -1.986 -10.265 -1.755 1011 H LEU 128 H LEU 128 -4.638 -13.332 6.905 1012 HA LEU 128 HA LEU 128 -2.155 -14.505 7.545 1013 HB2 LEU 128 1HB LEU 128 -1.995 -12.353 8.823 1014 HB3 LEU 128 2HB LEU 128 -3.368 -12.898 9.784 1015 HG LEU 128 HG LEU 128 -0.889 -14.568 9.618 1016 HD11 LEU 128 1HD1 LEU 128 -0.662 -11.985 10.362 1017 HD12 LEU 128 2HD1 LEU 128 0.313 -13.294 11.029 1018 HD13 LEU 128 3HD1 LEU 128 -1.111 -12.723 11.899 1019 HD21 LEU 128 3HD2 LEU 128 -3.308 -14.368 11.314 1020 HD22 LEU 128 1HD2 LEU 128 -1.800 -14.813 12.112 1021 HD23 LEU 128 2HD2 LEU 128 -2.411 -15.789 10.776 1022 H LEU 129 H LEU 129 -5.483 -13.899 8.526 1023 HA LEU 129 HA LEU 129 -5.979 -16.730 8.711 1024 HB2 LEU 129 1HB LEU 129 -5.094 -15.657 11.000 1025 HB3 LEU 129 2HB LEU 129 -6.809 -15.281 11.154 1026 HG LEU 129 HG LEU 129 -6.437 -18.042 10.411 1027 HD11 LEU 129 1HD1 LEU 129 -5.516 -18.602 12.767 1028 HD12 LEU 129 2HD1 LEU 129 -4.818 -16.985 12.690 1029 HD13 LEU 129 3HD1 LEU 129 -4.391 -18.188 11.474 1030 HD21 LEU 129 3HD2 LEU 129 -7.936 -18.421 12.198 1031 HD22 LEU 129 1HD2 LEU 129 -8.422 -16.889 11.470 1032 HD23 LEU 129 2HD2 LEU 129 -7.509 -16.898 12.979 1033 H SER 130 H SER 130 -6.890 -14.314 7.243 1034 HA SER 130 HA SER 130 -9.762 -14.707 7.686 1035 HB2 SER 130 1HB SER 130 -10.100 -12.242 7.239 1036 HB3 SER 130 2HB SER 130 -9.349 -12.621 8.789 1037 HG SER 130 HG SER 130 -7.994 -11.813 6.428 1038 H LEU 131 H LEU 131 -10.872 -15.047 5.862 1039 HA LEU 131 HA LEU 131 -9.514 -14.490 3.307 1040 HB2 LEU 131 1HB LEU 131 -11.110 -16.368 2.494 1041 HB3 LEU 131 2HB LEU 131 -9.622 -16.783 3.342 1042 HG LEU 131 HG LEU 131 -12.117 -16.528 4.940 1043 HD11 LEU 131 1HD1 LEU 131 -13.213 -18.215 4.004 1044 HD12 LEU 131 2HD1 LEU 131 -11.768 -19.225 3.994 1045 HD13 LEU 131 3HD1 LEU 131 -12.082 -18.123 2.653 1046 HD21 LEU 131 3HD2 LEU 131 -10.246 -18.783 5.233 1047 HD22 LEU 131 1HD2 LEU 131 -10.980 -17.745 6.456 1048 HD23 LEU 131 2HD2 LEU 131 -9.573 -17.183 5.553 1049 H ASP 132 H ASP 132 -12.361 -14.077 5.201 1050 HA ASP 132 HA ASP 132 -14.234 -13.487 3.196 1051 HB2 ASP 132 1HB ASP 132 -14.239 -13.567 5.967 1052 HB3 ASP 132 2HB ASP 132 -14.550 -11.871 5.604 1053 H GLU 133 H GLU 133 -15.230 -10.990 3.637 1054 HA GLU 133 HA GLU 133 -13.825 -9.379 1.898 1055 HB2 GLU 133 1HB GLU 133 -15.715 -8.571 4.113 1056 HB3 GLU 133 2HB GLU 133 -15.159 -7.486 2.847 1057 HG2 GLU 133 1HG GLU 133 -16.298 -9.987 1.854 1058 HG3 GLU 133 2HG GLU 133 -17.430 -8.983 2.758 1059 HA PRO 134 HA PRO 134 -10.440 -7.622 4.067 1060 HB2 PRO 134 1HB PRO 134 -10.335 -5.139 2.975 1061 HB3 PRO 134 2HB PRO 134 -9.860 -6.596 2.095 1062 HG2 PRO 134 1HG PRO 134 -12.432 -5.069 1.980 1063 HG3 PRO 134 2HG PRO 134 -11.483 -5.764 0.653 1064 HD2 PRO 134 1HD PRO 134 -13.689 -6.972 1.654 1065 HD3 PRO 134 2HD PRO 134 -12.313 -7.885 1.002 1066 H ILE 135 H ILE 135 -9.785 -5.544 5.273 1067 HA ILE 135 HA ILE 135 -11.982 -4.862 7.080 1068 HB ILE 135 HB ILE 135 -9.866 -5.733 8.041 1069 HG12 ILE 135 1HG1 ILE 135 -10.294 -2.860 8.858 1070 HG13 ILE 135 2HG1 ILE 135 -11.454 -4.130 9.229 1071 HG21 ILE 135 1HG2 ILE 135 -8.398 -4.624 6.341 1072 HG22 ILE 135 2HG2 ILE 135 -8.653 -3.108 7.204 1073 HG23 ILE 135 3HG2 ILE 135 -7.854 -4.458 8.010 1074 HD11 ILE 135 3HD1 ILE 135 -10.307 -4.432 11.101 1075 HD12 ILE 135 1HD1 ILE 135 -9.058 -5.171 10.100 1076 HD13 ILE 135 2HD1 ILE 135 -8.954 -3.461 10.521 1077 H ALA 136 H ALA 136 -9.748 -3.420 4.812 1078 HA ALA 136 HA ALA 136 -11.240 -0.906 5.014 1079 HB1 ALA 136 1HB ALA 136 -8.276 -1.227 5.307 1080 HB2 ALA 136 2HB ALA 136 -8.973 0.274 4.696 1081 HB3 ALA 136 3HB ALA 136 -9.402 -0.306 6.306 1082 H SER 137 H SER 137 -11.361 0.282 3.107 1083 HA SER 137 HA SER 137 -9.872 -0.153 0.786 1084 HB2 SER 137 1HB SER 137 -11.664 -1.351 -0.566 1085 HB3 SER 137 2HB SER 137 -10.789 -2.345 0.599 1086 HG SER 137 HG SER 137 -13.392 -1.255 0.844 1087 H GLU 138 H GLU 138 -10.655 1.056 -1.031 1088 HA GLU 138 HA GLU 138 -13.105 2.407 -1.118 1089 HB2 GLU 138 1HB GLU 138 -12.495 3.683 0.775 1090 HB3 GLU 138 2HB GLU 138 -10.846 3.895 0.202 1091 HG2 GLU 138 1HG GLU 138 -11.602 5.370 -1.551 1092 HG3 GLU 138 2HG GLU 138 -13.282 5.097 -1.093 1093 H GLU 139 H GLU 139 -13.374 3.452 -3.048 1094 HA GLU 139 HA GLU 139 -11.305 3.067 -5.012 1095 HB2 GLU 139 1HB GLU 139 -14.051 4.311 -5.228 1096 HB3 GLU 139 2HB GLU 139 -12.983 4.006 -6.590 1097 HG2 GLU 139 1HG GLU 139 -13.009 1.561 -5.771 1098 HG3 GLU 139 2HG GLU 139 -14.440 2.049 -4.865 1099 H ILE 140 H ILE 140 -10.094 4.594 -6.042 1100 HA ILE 140 HA ILE 140 -10.499 7.410 -5.353 1101 HB ILE 140 HB ILE 140 -7.779 6.119 -5.174 1102 HG12 ILE 140 1HG1 ILE 140 -9.623 6.953 -2.924 1103 HG13 ILE 140 2HG1 ILE 140 -9.260 5.292 -3.378 1104 HG21 ILE 140 1HG2 ILE 140 -7.641 8.435 -5.740 1105 HG22 ILE 140 2HG2 ILE 140 -8.815 8.864 -4.496 1106 HG23 ILE 140 3HG2 ILE 140 -7.219 8.271 -4.036 1107 HD11 ILE 140 3HD1 ILE 140 -7.959 5.875 -1.464 1108 HD12 ILE 140 1HD1 ILE 140 -6.879 5.731 -2.851 1109 HD13 ILE 140 2HD1 ILE 140 -7.350 7.326 -2.260 1110 H THR 141 H THR 141 -9.560 8.890 -6.825 1111 HA THR 141 HA THR 141 -8.645 7.695 -9.359 1112 HB THR 141 HB THR 141 -10.623 8.414 -10.185 1113 HG1 THR 141 1HG THR 141 -10.430 10.514 -11.030 1114 HG21 THR 141 3HG2 THR 141 -11.980 10.233 -9.177 1115 HG22 THR 141 1HG2 THR 141 -10.722 10.456 -7.962 1116 HG23 THR 141 2HG2 THR 141 -11.611 8.935 -8.042 1117 H ILE 142 H ILE 142 -6.505 8.147 -9.248 1118 HA ILE 142 HA ILE 142 -5.660 10.854 -8.522 1119 HB ILE 142 HB ILE 142 -3.588 8.887 -9.225 1120 HG12 ILE 142 1HG1 ILE 142 -5.318 8.494 -6.773 1121 HG13 ILE 142 2HG1 ILE 142 -5.240 7.410 -8.157 1122 HG21 ILE 142 1HG2 ILE 142 -3.914 11.228 -7.630 1123 HG22 ILE 142 2HG2 ILE 142 -3.313 9.919 -6.614 1124 HG23 ILE 142 3HG2 ILE 142 -2.430 10.383 -8.068 1125 HD11 ILE 142 3HD1 ILE 142 -3.770 6.303 -6.888 1126 HD12 ILE 142 1HD1 ILE 142 -2.634 7.524 -7.460 1127 HD13 ILE 142 2HD1 ILE 142 -3.413 7.712 -5.889 1128 H THR 143 H THR 143 -3.255 10.958 -9.916 1129 HA THR 143 HA THR 143 -3.859 12.230 -12.242 1130 HB THR 143 HB THR 143 -1.582 12.056 -11.112 1131 HG1 THR 143 1HG THR 143 -1.669 11.789 -13.951 1132 HG21 THR 143 3HG2 THR 143 -0.055 10.366 -12.121 1133 HG22 THR 143 1HG2 THR 143 -1.461 9.586 -12.844 1134 HG23 THR 143 2HG2 THR 143 -1.301 9.664 -11.089 Start of MODEL 18 1 H1 MET 1 H MET 1 -18.173 -17.108 14.818 2 HA MET 1 HA MET 1 -16.893 -16.580 12.801 3 HB2 MET 1 1HB MET 1 -19.076 -14.512 12.520 4 HB3 MET 1 2HB MET 1 -17.602 -14.511 11.560 5 HG2 MET 1 1HG MET 1 -18.252 -16.870 10.862 6 HG3 MET 1 2HG MET 1 -19.834 -16.510 11.549 7 HE1 MET 1 3HE MET 1 -20.997 -16.631 8.416 8 HE2 MET 1 1HE MET 1 -19.427 -16.618 7.612 9 HE3 MET 1 2HE MET 1 -19.660 -17.575 9.075 10 H ASP 2 H ASP 2 -15.046 -15.621 13.345 11 HA ASP 2 HA ASP 2 -15.157 -13.330 15.197 12 HB2 ASP 2 1HB ASP 2 -14.282 -15.563 16.118 13 HB3 ASP 2 2HB ASP 2 -12.875 -15.295 15.092 14 H GLU 3 H GLU 3 -15.262 -12.347 12.893 15 HA GLU 3 HA GLU 3 -12.500 -11.794 12.026 16 HB2 GLU 3 1HB GLU 3 -14.944 -11.735 10.253 17 HB3 GLU 3 2HB GLU 3 -13.269 -11.542 9.757 18 HG2 GLU 3 1HG GLU 3 -13.362 -13.707 9.254 19 HG3 GLU 3 2HG GLU 3 -13.212 -13.972 10.990 20 H VAL 4 H VAL 4 -13.364 -10.264 14.005 21 HA VAL 4 HA VAL 4 -13.846 -8.141 14.687 22 HB VAL 4 HB VAL 4 -12.863 -6.386 13.472 23 HG11 VAL 4 1HG1 VAL 4 -11.346 -8.829 12.572 24 HG12 VAL 4 2HG1 VAL 4 -10.699 -7.215 12.869 25 HG13 VAL 4 3HG1 VAL 4 -11.301 -8.186 14.213 26 HG21 VAL 4 3HG2 VAL 4 -12.770 -6.157 11.200 27 HG22 VAL 4 1HG2 VAL 4 -12.628 -7.893 10.920 28 HG23 VAL 4 2HG2 VAL 4 -14.192 -7.191 11.333 29 H LEU 5 H LEU 5 -14.863 -5.912 13.614 30 HA LEU 5 HA LEU 5 -17.352 -6.719 12.269 31 HB2 LEU 5 1HB LEU 5 -17.327 -4.596 14.379 32 HB3 LEU 5 2HB LEU 5 -18.693 -5.504 13.736 33 HG LEU 5 HG LEU 5 -17.349 -7.513 14.887 34 HD11 LEU 5 1HD1 LEU 5 -15.530 -6.395 15.812 35 HD12 LEU 5 2HD1 LEU 5 -16.651 -6.552 17.164 36 HD13 LEU 5 3HD1 LEU 5 -16.508 -5.015 16.311 37 HD21 LEU 5 3HD2 LEU 5 -19.179 -5.605 16.339 38 HD22 LEU 5 1HD2 LEU 5 -18.868 -7.286 16.774 39 HD23 LEU 5 2HD2 LEU 5 -19.692 -6.905 15.262 40 H ALA 6 H ALA 6 -18.549 -4.236 12.127 41 HA ALA 6 HA ALA 6 -17.582 -3.115 9.842 42 HB1 ALA 6 1HB ALA 6 -19.050 -1.352 10.166 43 HB2 ALA 6 2HB ALA 6 -19.750 -2.625 11.167 44 HB3 ALA 6 3HB ALA 6 -18.805 -1.336 11.912 45 H THR 7 H THR 7 -16.561 -2.426 13.135 46 HA THR 7 HA THR 7 -14.086 -1.311 12.202 47 HB THR 7 HB THR 7 -16.074 0.496 13.585 48 HG1 THR 7 1HG THR 7 -14.822 0.461 11.043 49 HG21 THR 7 3HG2 THR 7 -13.778 1.953 12.968 50 HG22 THR 7 1HG2 THR 7 -13.185 0.464 13.704 51 HG23 THR 7 2HG2 THR 7 -14.333 1.482 14.574 52 H SER 8 H SER 8 -13.287 -3.051 13.454 53 HA SER 8 HA SER 8 -13.773 -3.016 16.323 54 HB2 SER 8 1HB SER 8 -12.721 -5.130 16.402 55 HB3 SER 8 2HB SER 8 -13.620 -5.140 14.886 56 HG SER 8 HG SER 8 -11.220 -5.785 15.014 57 H ILE 9 H ILE 9 -11.120 -4.116 16.921 58 HA ILE 9 HA ILE 9 -9.804 -1.995 17.957 59 HB ILE 9 HB ILE 9 -8.524 -4.449 16.752 60 HG12 ILE 9 1HG1 ILE 9 -10.131 -4.981 18.497 61 HG13 ILE 9 2HG1 ILE 9 -8.498 -5.236 19.104 62 HG21 ILE 9 1HG2 ILE 9 -6.576 -3.436 17.117 63 HG22 ILE 9 2HG2 ILE 9 -7.355 -2.087 17.943 64 HG23 ILE 9 3HG2 ILE 9 -6.937 -3.547 18.840 65 HD11 ILE 9 3HD1 ILE 9 -10.571 -3.388 19.995 66 HD12 ILE 9 1HD1 ILE 9 -9.200 -4.071 20.869 67 HD13 ILE 9 2HD1 ILE 9 -8.973 -2.658 19.839 68 H GLY 10 H GLY 10 -8.987 -3.413 14.780 69 HA2 GLY 10 1HA GLY 10 -7.083 -1.567 13.991 70 HA3 GLY 10 2HA GLY 10 -8.123 -2.449 12.883 71 H THR 11 H THR 11 -7.400 0.575 14.286 72 HA THR 11 HA THR 11 -9.901 1.825 13.532 73 HB THR 11 HB THR 11 -7.845 3.751 14.070 74 HG1 THR 11 1HG THR 11 -8.026 1.564 15.887 75 HG21 THR 11 3HG2 THR 11 -10.118 4.258 14.511 76 HG22 THR 11 1HG2 THR 11 -9.331 4.154 16.085 77 HG23 THR 11 2HG2 THR 11 -10.323 2.816 15.506 78 H TYR 12 H TYR 12 -10.024 3.612 12.038 79 HA TYR 12 HA TYR 12 -7.869 3.914 10.115 80 HB2 TYR 12 1HB TYR 12 -8.953 2.080 9.076 81 HB3 TYR 12 2HB TYR 12 -10.552 2.730 9.416 82 HD1 TYR 12 2HD TYR 12 -7.560 4.361 7.898 83 HD2 TYR 12 1HD TYR 12 -11.571 3.049 7.354 84 HE1 TYR 12 2HE TYR 12 -7.598 5.416 5.677 85 HE2 TYR 12 1HE TYR 12 -11.619 4.099 5.130 86 HH TYR 12 HH TYR 12 -10.487 5.829 3.886 87 H GLU 13 H GLU 13 -7.761 6.063 10.731 88 HA GLU 13 HA GLU 13 -9.416 7.869 9.352 89 HB2 GLU 13 1HB GLU 13 -10.554 8.970 11.213 90 HB3 GLU 13 2HB GLU 13 -11.058 7.292 11.077 91 HG2 GLU 13 1HG GLU 13 -9.340 6.781 12.869 92 HG3 GLU 13 2HG GLU 13 -9.234 8.523 13.115 93 H ASN 14 H ASN 14 -9.035 10.207 10.262 94 HA ASN 14 HA ASN 14 -7.520 11.873 10.585 95 HB2 ASN 14 1HB ASN 14 -6.084 10.004 12.468 96 HB3 ASN 14 2HB ASN 14 -6.166 11.762 12.533 97 HD21 ASN 14 1HD2 ASN 14 -6.869 9.689 14.511 98 HD22 ASN 14 2HD2 ASN 14 -8.507 10.014 14.953 99 H ARG 15 H ARG 15 -7.016 9.775 8.548 100 HA ARG 15 HA ARG 15 -5.442 9.288 6.980 101 HB2 ARG 15 1HB ARG 15 -5.063 11.800 7.236 102 HB3 ARG 15 2HB ARG 15 -3.691 11.383 8.254 103 HG2 ARG 15 1HG ARG 15 -2.978 11.847 5.984 104 HG3 ARG 15 2HG ARG 15 -2.683 10.157 6.398 105 HD2 ARG 15 1HD ARG 15 -3.654 10.571 4.109 106 HD3 ARG 15 2HD ARG 15 -4.536 9.426 5.119 107 HE ARG 15 HE ARG 15 -6.328 10.838 5.067 108 HH11 ARG 15 1HH1 ARG 15 -3.473 12.621 4.178 109 HH12 ARG 15 2HH1 ARG 15 -4.342 14.062 3.768 110 HH21 ARG 15 1HH2 ARG 15 -7.483 12.730 4.530 111 HH22 ARG 15 2HH2 ARG 15 -6.623 14.123 3.969 112 H THR 16 H THR 16 -5.488 7.657 9.195 113 HA THR 16 HA THR 16 -2.802 6.605 9.152 114 HB THR 16 HB THR 16 -4.014 7.478 11.783 115 HG1 THR 16 1HG THR 16 -2.143 8.812 11.851 116 HG21 THR 16 3HG2 THR 16 -1.917 6.607 12.766 117 HG22 THR 16 1HG2 THR 16 -1.477 5.948 11.192 118 HG23 THR 16 2HG2 THR 16 -2.900 5.339 12.036 119 H LEU 17 H LEU 17 -2.710 4.427 9.645 120 HA LEU 17 HA LEU 17 -5.299 3.143 10.227 121 HB2 LEU 17 1HB LEU 17 -4.045 2.909 7.902 122 HB3 LEU 17 2HB LEU 17 -3.158 1.669 8.786 123 HG LEU 17 HG LEU 17 -4.942 0.647 7.535 124 HD11 LEU 17 1HD1 LEU 17 -6.038 0.620 10.303 125 HD12 LEU 17 2HD1 LEU 17 -4.390 0.053 10.032 126 HD13 LEU 17 3HD1 LEU 17 -5.736 -0.717 9.192 127 HD21 LEU 17 3HD2 LEU 17 -6.866 2.383 9.074 128 HD22 LEU 17 1HD2 LEU 17 -7.251 1.215 7.809 129 HD23 LEU 17 2HD2 LEU 17 -6.366 2.688 7.410 130 H LEU 18 H LEU 18 -5.313 2.302 12.197 131 HA LEU 18 HA LEU 18 -2.812 1.479 13.452 132 HB2 LEU 18 1HB LEU 18 -4.935 2.825 14.434 133 HB3 LEU 18 2HB LEU 18 -5.359 1.181 14.908 134 HG LEU 18 HG LEU 18 -2.907 2.740 15.711 135 HD11 LEU 18 1HD1 LEU 18 -5.384 1.814 17.121 136 HD12 LEU 18 2HD1 LEU 18 -4.678 3.428 17.061 137 HD13 LEU 18 3HD1 LEU 18 -3.897 2.159 18.003 138 HD21 LEU 18 3HD2 LEU 18 -2.056 0.593 15.486 139 HD22 LEU 18 1HD2 LEU 18 -3.574 -0.168 15.960 140 HD23 LEU 18 2HD2 LEU 18 -2.574 0.633 17.172 141 H VAL 19 H VAL 19 -2.266 -0.583 13.893 142 HA VAL 19 HA VAL 19 -4.239 -2.707 13.754 143 HB VAL 19 HB VAL 19 -2.695 -4.021 12.184 144 HG11 VAL 19 1HG1 VAL 19 -3.950 -1.784 10.685 145 HG12 VAL 19 2HG1 VAL 19 -4.071 -3.526 10.432 146 HG13 VAL 19 3HG1 VAL 19 -4.977 -2.758 11.737 147 HG21 VAL 19 3HG2 VAL 19 -1.760 -1.214 11.598 148 HG22 VAL 19 1HG2 VAL 19 -0.785 -2.550 12.208 149 HG23 VAL 19 2HG2 VAL 19 -1.442 -2.614 10.573 150 HA PRO 20 HA PRO 20 -1.687 -4.578 16.796 151 HB2 PRO 20 1HB PRO 20 -2.095 -7.217 16.305 152 HB3 PRO 20 2HB PRO 20 -3.324 -6.173 17.029 153 HG2 PRO 20 1HG PRO 20 -3.036 -7.072 14.188 154 HG3 PRO 20 2HG PRO 20 -4.499 -6.964 15.184 155 HD2 PRO 20 1HD PRO 20 -3.845 -5.084 13.349 156 HD3 PRO 20 2HD PRO 20 -4.713 -4.694 14.847 157 H ASP 21 H ASP 21 -1.335 -5.984 13.549 158 HA ASP 21 HA ASP 21 1.095 -7.283 13.905 159 HB2 ASP 21 1HB ASP 21 -0.288 -6.091 11.533 160 HB3 ASP 21 2HB ASP 21 1.362 -6.682 11.360 161 H GLY 22 H GLY 22 0.468 -3.927 12.928 162 HA2 GLY 22 1HA GLY 22 3.044 -3.138 14.002 163 HA3 GLY 22 2HA GLY 22 2.881 -2.951 12.262 164 H ARG 23 H ARG 23 2.374 -0.963 11.667 165 HA ARG 23 HA ARG 23 0.155 0.455 12.667 166 HB2 ARG 23 1HB ARG 23 2.054 0.649 14.499 167 HB3 ARG 23 2HB ARG 23 2.665 1.889 13.412 168 HG2 ARG 23 1HG ARG 23 0.096 2.649 13.562 169 HG3 ARG 23 2HG ARG 23 0.284 1.891 15.145 170 HD2 ARG 23 1HD ARG 23 0.865 4.126 15.504 171 HD3 ARG 23 2HD ARG 23 2.412 3.293 15.359 172 HE ARG 23 HE ARG 23 1.803 4.162 12.824 173 HH11 ARG 23 1HH1 ARG 23 2.270 5.634 15.944 174 HH12 ARG 23 2HH1 ARG 23 2.864 7.126 15.296 175 HH21 ARG 23 1HH2 ARG 23 2.585 6.122 11.958 176 HH22 ARG 23 2HH2 ARG 23 3.043 7.404 13.029 177 H LEU 24 H LEU 24 -0.430 1.059 10.666 178 HA LEU 24 HA LEU 24 1.560 2.266 8.892 179 HB2 LEU 24 1HB LEU 24 -0.151 0.407 8.254 180 HB3 LEU 24 2HB LEU 24 -1.283 1.752 8.127 181 HG LEU 24 HG LEU 24 0.849 2.607 6.616 182 HD11 LEU 24 1HD1 LEU 24 0.414 -0.163 5.640 183 HD12 LEU 24 2HD1 LEU 24 1.564 0.086 6.953 184 HD13 LEU 24 3HD1 LEU 24 1.790 0.916 5.414 185 HD21 LEU 24 3HD2 LEU 24 -1.006 3.017 5.454 186 HD22 LEU 24 1HD2 LEU 24 -1.873 1.688 6.224 187 HD23 LEU 24 2HD2 LEU 24 -0.856 1.379 4.817 188 H ALA 25 H ALA 25 1.324 4.316 8.014 189 HA ALA 25 HA ALA 25 -0.923 5.970 8.832 190 HB1 ALA 25 1HB ALA 25 0.144 7.367 10.243 191 HB2 ALA 25 2HB ALA 25 1.195 5.972 10.496 192 HB3 ALA 25 3HB ALA 25 1.676 7.247 9.376 193 H LEU 26 H LEU 26 -1.529 6.524 6.815 194 HA LEU 26 HA LEU 26 -0.018 6.819 4.554 195 HB2 LEU 26 1HB LEU 26 -2.388 8.523 5.303 196 HB3 LEU 26 2HB LEU 26 -1.784 8.235 3.673 197 HG LEU 26 HG LEU 26 -3.493 6.756 3.648 198 HD11 LEU 26 1HD1 LEU 26 -1.255 5.508 3.637 199 HD12 LEU 26 2HD1 LEU 26 -2.725 4.568 3.891 200 HD13 LEU 26 3HD1 LEU 26 -1.695 4.981 5.262 201 HD21 LEU 26 3HD2 LEU 26 -4.797 6.475 5.423 202 HD22 LEU 26 1HD2 LEU 26 -3.602 7.348 6.382 203 HD23 LEU 26 2HD2 LEU 26 -3.530 5.589 6.275 204 H THR 27 H THR 27 1.633 8.078 4.042 205 HA THR 27 HA THR 27 2.064 10.557 5.539 206 HB THR 27 HB THR 27 4.306 10.432 4.156 207 HG1 THR 27 1HG THR 27 4.824 8.133 3.883 208 HG21 THR 27 3HG2 THR 27 4.885 10.197 6.306 209 HG22 THR 27 1HG2 THR 27 4.843 8.459 6.013 210 HG23 THR 27 2HG2 THR 27 3.429 9.276 6.681 211 H ALA 28 H ALA 28 0.047 10.352 3.425 212 HA ALA 28 HA ALA 28 -0.782 11.771 1.836 213 HB1 ALA 28 1HB ALA 28 1.135 13.312 3.079 214 HB2 ALA 28 2HB ALA 28 1.580 13.401 1.374 215 HB3 ALA 28 3HB ALA 28 -0.039 13.873 1.888 216 H LEU 29 H LEU 29 -0.945 10.359 0.163 217 HA LEU 29 HA LEU 29 1.251 9.336 -1.300 218 HB2 LEU 29 1HB LEU 29 -1.495 9.558 -2.458 219 HB3 LEU 29 2HB LEU 29 -0.307 8.270 -2.648 220 HG LEU 29 HG LEU 29 -0.989 8.308 0.079 221 HD11 LEU 29 1HD1 LEU 29 -3.018 9.606 -1.076 222 HD12 LEU 29 2HD1 LEU 29 -3.233 8.505 0.284 223 HD13 LEU 29 3HD1 LEU 29 -3.546 7.947 -1.359 224 HD21 LEU 29 3HD2 LEU 29 -0.836 6.152 -0.414 225 HD22 LEU 29 1HD2 LEU 29 -0.888 6.519 -2.139 226 HD23 LEU 29 2HD2 LEU 29 -2.387 6.245 -1.251 227 H HIS 30 H HIS 30 2.116 9.919 -3.262 228 HA HIS 30 HA HIS 30 1.144 12.404 -4.488 229 HB2 HIS 30 1HB HIS 30 3.089 13.521 -4.234 230 HB3 HIS 30 2HB HIS 30 3.387 12.373 -2.931 231 HD1 HIS 30 1HD HIS 30 4.242 12.948 -6.567 232 HD2 HIS 30 2HD HIS 30 5.537 10.714 -3.313 233 HE1 HIS 30 1HE HIS 30 6.405 11.893 -7.295 234 H LYS 31 H LYS 31 1.394 12.553 -6.703 235 HA LYS 31 HA LYS 31 1.946 10.021 -8.046 236 HB2 LYS 31 1HB LYS 31 0.334 12.422 -8.633 237 HB3 LYS 31 2HB LYS 31 1.126 11.696 -10.025 238 HG2 LYS 31 1HG LYS 31 0.102 9.511 -9.358 239 HG3 LYS 31 2HG LYS 31 -0.827 10.394 -8.144 240 HD2 LYS 31 1HD LYS 31 -2.222 10.164 -10.056 241 HD3 LYS 31 2HD LYS 31 -1.687 11.846 -10.011 242 HE2 LYS 31 1HE LYS 31 0.067 11.302 -11.654 243 HE3 LYS 31 2HE LYS 31 -0.532 9.646 -11.723 244 HZ1 LYS 31 3HZ LYS 31 -1.436 10.847 -13.550 245 HZ2 LYS 31 1HZ LYS 31 -1.973 12.103 -12.552 246 HZ3 LYS 31 2HZ LYS 31 -2.696 10.577 -12.454 247 H GLY 32 H GLY 32 3.396 9.814 -9.773 248 HA2 GLY 32 1HA GLY 32 5.303 12.045 -10.090 249 HA3 GLY 32 2HA GLY 32 5.860 10.396 -9.848 250 H LYS 33 H LYS 33 6.768 9.801 -11.711 251 HA LYS 33 HA LYS 33 5.094 9.769 -14.099 252 HB2 LYS 33 1HB LYS 33 6.655 10.840 -15.512 253 HB3 LYS 33 2HB LYS 33 6.527 11.871 -14.094 254 HG2 LYS 33 1HG LYS 33 8.605 11.011 -13.227 255 HG3 LYS 33 2HG LYS 33 8.716 9.857 -14.558 256 HD2 LYS 33 1HD LYS 33 8.613 11.944 -16.075 257 HD3 LYS 33 2HD LYS 33 9.029 12.839 -14.611 258 HE2 LYS 33 1HE LYS 33 10.741 10.557 -14.865 259 HE3 LYS 33 2HE LYS 33 10.760 11.476 -16.369 260 HZ1 LYS 33 3HZ LYS 33 11.046 12.884 -13.802 261 HZ2 LYS 33 1HZ LYS 33 11.613 13.324 -15.334 262 HZ3 LYS 33 2HZ LYS 33 12.383 12.090 -14.470 263 H ASP 34 H ASP 34 5.497 8.065 -15.456 264 HA ASP 34 HA ASP 34 7.616 6.204 -14.598 265 HB2 ASP 34 1HB ASP 34 6.220 4.370 -15.057 266 HB3 ASP 34 2HB ASP 34 5.158 5.528 -14.261 267 H TYR 35 H TYR 35 7.198 4.425 -16.807 268 HA TYR 35 HA TYR 35 9.040 5.386 -18.635 269 HB2 TYR 35 1HB TYR 35 8.018 3.592 -20.180 270 HB3 TYR 35 2HB TYR 35 8.705 3.066 -18.648 271 HD1 TYR 35 2HD TYR 35 5.523 3.808 -20.389 272 HD2 TYR 35 1HD TYR 35 7.374 1.972 -17.028 273 HE1 TYR 35 2HE TYR 35 3.389 2.730 -19.811 274 HE2 TYR 35 1HE TYR 35 5.246 0.887 -16.441 275 HH TYR 35 HH TYR 35 3.156 0.443 -17.122 276 H GLN 36 H GLN 36 5.539 5.677 -18.625 277 HA GLN 36 HA GLN 36 5.583 7.037 -21.210 278 HB2 GLN 36 1HB GLN 36 3.460 5.832 -19.495 279 HB3 GLN 36 2HB GLN 36 3.005 7.122 -20.600 280 HG2 GLN 36 1HG GLN 36 4.565 5.386 -22.119 281 HG3 GLN 36 2HG GLN 36 3.538 4.346 -21.134 282 HE21 GLN 36 1HE2 GLN 36 1.205 4.919 -21.125 283 HE22 GLN 36 2HE2 GLN 36 0.506 5.456 -22.611 284 H GLY 37 H GLY 37 6.629 8.127 -18.574 285 HA2 GLY 37 1HA GLY 37 6.374 10.023 -17.236 286 HA3 GLY 37 2HA GLY 37 6.399 10.761 -18.831 287 H LYS 38 H LYS 38 4.010 8.961 -16.885 288 HA LYS 38 HA LYS 38 2.281 11.162 -16.540 289 HB2 LYS 38 1HB LYS 38 2.030 9.698 -19.046 290 HB3 LYS 38 2HB LYS 38 0.537 9.683 -18.116 291 HG2 LYS 38 1HG LYS 38 0.256 11.957 -18.267 292 HG3 LYS 38 2HG LYS 38 1.977 12.261 -18.512 293 HD2 LYS 38 1HD LYS 38 0.159 10.933 -20.520 294 HD3 LYS 38 2HD LYS 38 0.617 12.637 -20.549 295 HE2 LYS 38 1HE LYS 38 3.043 11.723 -20.511 296 HE3 LYS 38 2HE LYS 38 2.304 10.211 -21.034 297 HZ1 LYS 38 3HZ LYS 38 1.924 11.014 -23.074 298 HZ2 LYS 38 1HZ LYS 38 3.098 12.168 -22.687 299 HZ3 LYS 38 2HZ LYS 38 1.458 12.542 -22.516 300 HA PRO 39 HA PRO 39 -0.105 7.213 -15.195 301 HB2 PRO 39 1HB PRO 39 0.791 4.807 -16.076 302 HB3 PRO 39 2HB PRO 39 -0.369 5.789 -16.978 303 HG2 PRO 39 1HG PRO 39 2.587 5.515 -17.366 304 HG3 PRO 39 2HG PRO 39 1.298 5.554 -18.583 305 HD2 PRO 39 1HD PRO 39 2.829 7.713 -18.013 306 HD3 PRO 39 2HD PRO 39 1.132 7.852 -18.516 307 H MET 40 H MET 40 0.822 7.696 -13.192 308 HA MET 40 HA MET 40 2.504 5.640 -12.105 309 HB2 MET 40 1HB MET 40 3.826 7.833 -13.171 310 HB3 MET 40 2HB MET 40 3.733 8.201 -11.454 311 HG2 MET 40 1HG MET 40 4.577 5.465 -12.125 312 HG3 MET 40 2HG MET 40 5.691 6.749 -12.587 313 HE1 MET 40 3HE MET 40 4.562 4.385 -10.395 314 HE2 MET 40 1HE MET 40 6.093 4.387 -9.519 315 HE3 MET 40 2HE MET 40 4.620 4.940 -8.721 316 H PHE 41 H PHE 41 2.867 5.969 -9.743 317 HA PHE 41 HA PHE 41 1.507 7.949 -8.278 318 HB2 PHE 41 1HB PHE 41 -0.595 7.143 -8.758 319 HB3 PHE 41 2HB PHE 41 -0.030 5.489 -8.965 320 HD1 PHE 41 1HD PHE 41 -0.629 8.083 -6.376 321 HD2 PHE 41 2HD PHE 41 -0.318 3.933 -7.268 322 HE1 PHE 41 1HE PHE 41 -1.409 7.540 -4.106 323 HE2 PHE 41 2HE PHE 41 -1.098 3.383 -5.001 324 HZ PHE 41 HZ PHE 41 -1.646 5.187 -3.417 325 H TYR 42 H TYR 42 2.062 7.876 -6.147 326 HA TYR 42 HA TYR 42 3.628 5.531 -5.288 327 HB2 TYR 42 1HB TYR 42 3.943 8.443 -4.538 328 HB3 TYR 42 2HB TYR 42 4.831 7.125 -3.782 329 HD1 TYR 42 1HD TYR 42 6.215 5.611 -5.386 330 HD2 TYR 42 2HD TYR 42 4.836 9.506 -6.400 331 HE1 TYR 42 1HE TYR 42 7.933 5.756 -7.140 332 HE2 TYR 42 2HE TYR 42 6.549 9.662 -8.157 333 HH TYR 42 HH TYR 42 8.325 8.696 -9.088 334 H VAL 43 H VAL 43 3.269 4.656 -3.287 335 HA VAL 43 HA VAL 43 0.812 5.533 -1.945 336 HB VAL 43 HB VAL 43 2.331 2.940 -1.626 337 HG11 VAL 43 1HG1 VAL 43 0.942 2.393 0.032 338 HG12 VAL 43 2HG1 VAL 43 0.516 4.104 0.097 339 HG13 VAL 43 3HG1 VAL 43 -0.468 2.984 -0.846 340 HG21 VAL 43 3HG2 VAL 43 -0.294 3.350 -3.037 341 HG22 VAL 43 1HG2 VAL 43 1.257 3.367 -3.877 342 HG23 VAL 43 2HG2 VAL 43 0.728 1.913 -3.030 343 H LEU 44 H LEU 44 2.125 7.350 -1.042 344 HA LEU 44 HA LEU 44 4.213 6.935 0.791 345 HB2 LEU 44 1HB LEU 44 2.233 9.155 0.404 346 HB3 LEU 44 2HB LEU 44 3.433 9.205 1.693 347 HG LEU 44 HG LEU 44 3.987 10.479 -0.420 348 HD11 LEU 44 1HD1 LEU 44 5.861 8.341 0.577 349 HD12 LEU 44 2HD1 LEU 44 5.691 9.982 1.198 350 HD13 LEU 44 3HD1 LEU 44 6.344 9.715 -0.418 351 HD21 LEU 44 3HD2 LEU 44 3.159 8.769 -1.993 352 HD22 LEU 44 1HD2 LEU 44 4.472 7.703 -1.494 353 HD23 LEU 44 2HD2 LEU 44 4.834 9.226 -2.306 354 H PHE 45 H PHE 45 4.056 5.684 2.533 355 HA PHE 45 HA PHE 45 1.846 6.168 4.394 356 HB2 PHE 45 1HB PHE 45 1.567 3.765 4.794 357 HB3 PHE 45 2HB PHE 45 1.240 4.163 3.111 358 HD1 PHE 45 2HD PHE 45 3.992 2.977 5.321 359 HD2 PHE 45 1HD PHE 45 2.236 2.921 1.445 360 HE1 PHE 45 2HE PHE 45 5.626 1.281 4.610 361 HE2 PHE 45 1HE PHE 45 3.867 1.224 0.727 362 HZ PHE 45 HZ PHE 45 5.565 0.403 2.310 363 H GLU 46 H GLU 46 2.334 4.886 6.520 364 HA GLU 46 HA GLU 46 5.214 5.047 7.101 365 HB2 GLU 46 1HB GLU 46 3.661 7.006 7.916 366 HB3 GLU 46 2HB GLU 46 3.210 5.857 9.169 367 HG2 GLU 46 1HG GLU 46 5.907 5.678 9.263 368 HG3 GLU 46 2HG GLU 46 5.698 7.362 8.789 369 H LEU 47 H LEU 47 5.142 2.725 6.823 370 HA LEU 47 HA LEU 47 3.654 1.216 8.824 371 HB2 LEU 47 1HB LEU 47 3.596 0.310 6.621 372 HB3 LEU 47 2HB LEU 47 5.350 0.398 6.476 373 HG LEU 47 HG LEU 47 4.202 -1.894 6.875 374 HD11 LEU 47 1HD1 LEU 47 6.258 -2.618 7.359 375 HD12 LEU 47 2HD1 LEU 47 6.343 -1.670 8.843 376 HD13 LEU 47 3HD1 LEU 47 6.727 -0.920 7.294 377 HD21 LEU 47 3HD2 LEU 47 3.460 -2.440 8.949 378 HD22 LEU 47 1HD2 LEU 47 3.079 -0.719 8.987 379 HD23 LEU 47 2HD2 LEU 47 4.549 -1.313 9.759 380 H THR 48 H THR 48 4.525 0.902 10.753 381 HA THR 48 HA THR 48 7.418 1.043 11.092 382 HB THR 48 HB THR 48 5.327 0.726 13.249 383 HG1 THR 48 1HG THR 48 6.562 3.169 12.518 384 HG21 THR 48 3HG2 THR 48 8.190 1.684 13.309 385 HG22 THR 48 1HG2 THR 48 7.584 0.161 13.958 386 HG23 THR 48 2HG2 THR 48 7.086 1.689 14.685 387 H ASN 49 H ASN 49 8.671 -0.691 11.318 388 HA ASN 49 HA ASN 49 7.537 -3.323 11.220 389 HB2 ASN 49 1HB ASN 49 9.696 -2.593 10.102 390 HB3 ASN 49 2HB ASN 49 10.435 -2.621 11.701 391 HD21 ASN 49 1HD2 ASN 49 11.838 -4.267 11.330 392 HD22 ASN 49 2HD2 ASN 49 11.346 -5.897 11.032 393 H THR 50 H THR 50 6.343 -2.815 13.326 394 HA THR 50 HA THR 50 7.658 -2.725 15.796 395 HB THR 50 HB THR 50 5.576 -3.304 16.817 396 HG1 THR 50 1HG THR 50 4.995 -4.437 14.287 397 HG21 THR 50 3HG2 THR 50 5.801 -1.135 15.407 398 HG22 THR 50 1HG2 THR 50 4.208 -1.615 15.992 399 HG23 THR 50 2HG2 THR 50 4.663 -1.927 14.317 400 H THR 51 H THR 51 7.373 -5.267 13.560 401 HA THR 51 HA THR 51 7.308 -7.525 15.208 402 HB THR 51 HB THR 51 8.154 -8.782 13.359 403 HG1 THR 51 1HG THR 51 9.557 -7.969 11.987 404 HG21 THR 51 3HG2 THR 51 6.593 -6.452 12.238 405 HG22 THR 51 1HG2 THR 51 5.887 -7.821 13.096 406 HG23 THR 51 2HG2 THR 51 6.702 -8.073 11.552 407 H GLU 52 H GLU 52 9.506 -9.056 14.724 408 HA GLU 52 HA GLU 52 11.724 -7.573 15.970 409 HB2 GLU 52 1HB GLU 52 10.757 -10.348 16.682 410 HB3 GLU 52 2HB GLU 52 12.224 -9.606 17.305 411 HG2 GLU 52 1HG GLU 52 10.586 -7.714 18.063 412 HG3 GLU 52 2HG GLU 52 9.378 -8.990 17.921 413 H LYS 53 H LYS 53 11.279 -8.245 13.182 414 HA LYS 53 HA LYS 53 13.642 -9.948 12.756 415 HB2 LYS 53 1HB LYS 53 11.158 -9.875 11.034 416 HB3 LYS 53 2HB LYS 53 12.605 -10.819 10.708 417 HG2 LYS 53 1HG LYS 53 11.864 -11.550 13.282 418 HG3 LYS 53 2HG LYS 53 10.344 -11.430 12.392 419 HD2 LYS 53 1HD LYS 53 11.591 -12.794 10.573 420 HD3 LYS 53 2HD LYS 53 12.706 -13.201 11.879 421 HE2 LYS 53 1HE LYS 53 11.226 -14.930 12.075 422 HE3 LYS 53 2HE LYS 53 10.465 -13.760 13.152 423 HZ1 LYS 53 3HZ LYS 53 9.603 -14.708 10.532 424 HZ2 LYS 53 1HZ LYS 53 9.303 -13.082 10.891 425 HZ3 LYS 53 2HZ LYS 53 8.683 -14.297 11.891 426 H THR 54 H THR 54 14.697 -9.565 10.632 427 HA THR 54 HA THR 54 14.422 -6.748 9.804 428 HB THR 54 HB THR 54 17.027 -8.243 9.656 429 HG1 THR 54 1HG THR 54 16.060 -8.059 11.883 430 HG21 THR 54 3HG2 THR 54 17.240 -6.308 8.418 431 HG22 THR 54 1HG2 THR 54 17.757 -5.747 10.007 432 HG23 THR 54 2HG2 THR 54 16.123 -5.404 9.439 433 H GLN 55 H GLN 55 13.358 -9.384 8.724 434 HA GLN 55 HA GLN 55 14.683 -9.982 6.310 435 HB2 GLN 55 1HB GLN 55 12.088 -10.653 5.794 436 HB3 GLN 55 2HB GLN 55 13.238 -11.673 6.649 437 HG2 GLN 55 1HG GLN 55 11.122 -11.544 7.831 438 HG3 GLN 55 2HG GLN 55 12.427 -10.833 8.780 439 HE21 GLN 55 1HE2 GLN 55 10.004 -10.183 9.562 440 HE22 GLN 55 2HE2 GLN 55 9.582 -8.573 9.098 441 H ASN 56 H ASN 56 13.065 -9.835 4.221 442 HA ASN 56 HA ASN 56 13.390 -7.364 3.127 443 HB2 ASN 56 1HB ASN 56 11.903 -9.737 2.465 444 HB3 ASN 56 2HB ASN 56 10.964 -8.311 2.034 445 HD21 ASN 56 1HD2 ASN 56 12.984 -6.558 1.364 446 HD22 ASN 56 2HD2 ASN 56 13.780 -7.129 -0.059 447 H ILE 57 H ILE 57 11.857 -5.661 2.568 448 HA ILE 57 HA ILE 57 10.252 -4.930 4.881 449 HB ILE 57 HB ILE 57 10.799 -3.302 2.398 450 HG12 ILE 57 1HG1 ILE 57 12.198 -2.656 4.916 451 HG13 ILE 57 2HG1 ILE 57 12.715 -4.146 4.135 452 HG21 ILE 57 1HG2 ILE 57 10.424 -1.657 4.622 453 HG22 ILE 57 2HG2 ILE 57 9.310 -1.909 3.280 454 HG23 ILE 57 3HG2 ILE 57 9.171 -2.892 4.737 455 HD11 ILE 57 3HD1 ILE 57 12.960 -2.759 2.021 456 HD12 ILE 57 1HD1 ILE 57 12.813 -1.349 3.069 457 HD13 ILE 57 2HD1 ILE 57 14.136 -2.490 3.307 458 H GLN 58 H GLN 58 9.773 -4.921 1.342 459 HA GLN 58 HA GLN 58 7.061 -4.450 1.290 460 HB2 GLN 58 1HB GLN 58 7.188 -4.909 -0.926 461 HB3 GLN 58 2HB GLN 58 8.917 -4.911 -0.605 462 HG2 GLN 58 1HG GLN 58 8.557 -7.440 -0.134 463 HG3 GLN 58 2HG GLN 58 7.073 -7.211 -1.059 464 HE21 GLN 58 1HE2 GLN 58 7.799 -5.483 -2.990 465 HE22 GLN 58 2HE2 GLN 58 9.018 -6.175 -4.000 466 H LEU 59 H LEU 59 8.736 -7.323 2.230 467 HA LEU 59 HA LEU 59 6.794 -9.273 1.834 468 HB2 LEU 59 1HB LEU 59 9.272 -9.091 3.107 469 HB3 LEU 59 2HB LEU 59 8.153 -9.630 4.357 470 HG LEU 59 HG LEU 59 9.230 -11.531 3.321 471 HD11 LEU 59 1HD1 LEU 59 6.591 -11.823 2.080 472 HD12 LEU 59 2HD1 LEU 59 6.561 -11.267 3.753 473 HD13 LEU 59 3HD1 LEU 59 7.369 -12.780 3.341 474 HD21 LEU 59 3HD2 LEU 59 7.925 -10.929 0.703 475 HD22 LEU 59 1HD2 LEU 59 9.313 -11.958 1.058 476 HD23 LEU 59 2HD2 LEU 59 9.485 -10.203 1.093 477 H MET 60 H MET 60 6.853 -6.639 4.041 478 HA MET 60 HA MET 60 4.728 -7.808 5.682 479 HB2 MET 60 1HB MET 60 6.636 -5.540 6.019 480 HB3 MET 60 2HB MET 60 5.093 -5.457 6.860 481 HG2 MET 60 1HG MET 60 6.364 -8.037 7.183 482 HG3 MET 60 2HG MET 60 7.392 -6.716 7.732 483 HE1 MET 60 3HE MET 60 6.652 -4.936 9.566 484 HE2 MET 60 1HE MET 60 5.195 -4.571 8.641 485 HE3 MET 60 2HE MET 60 5.076 -4.948 10.360 486 H ILE 61 H ILE 61 5.399 -4.916 3.729 487 HA ILE 61 HA ILE 61 2.897 -3.700 3.978 488 HB ILE 61 HB ILE 61 4.776 -3.604 1.615 489 HG12 ILE 61 1HG1 ILE 61 5.818 -2.910 3.742 490 HG13 ILE 61 2HG1 ILE 61 5.631 -1.554 2.635 491 HG21 ILE 61 1HG2 ILE 61 2.270 -2.161 2.279 492 HG22 ILE 61 2HG2 ILE 61 3.572 -1.246 1.522 493 HG23 ILE 61 3HG2 ILE 61 2.907 -2.665 0.714 494 HD11 ILE 61 3HD1 ILE 61 3.822 -2.182 4.956 495 HD12 ILE 61 1HD1 ILE 61 5.079 -0.946 4.929 496 HD13 ILE 61 2HD1 ILE 61 3.678 -0.803 3.866 497 H GLN 62 H GLN 62 3.877 -6.465 2.171 498 HA GLN 62 HA GLN 62 1.641 -6.390 0.345 499 HB2 GLN 62 1HB GLN 62 3.797 -8.422 0.898 500 HB3 GLN 62 2HB GLN 62 2.478 -8.732 -0.222 501 HG2 GLN 62 1HG GLN 62 3.160 -6.772 -1.537 502 HG3 GLN 62 2HG GLN 62 4.513 -6.526 -0.434 503 HE21 GLN 62 1HE2 GLN 62 5.433 -9.039 -0.040 504 HE22 GLN 62 2HE2 GLN 62 6.013 -9.706 -1.524 505 H SER 63 H SER 63 1.805 -6.960 3.533 506 HA SER 63 HA SER 63 -0.339 -8.981 3.446 507 HB2 SER 63 1HB SER 63 2.074 -9.326 4.667 508 HB3 SER 63 2HB SER 63 1.115 -8.672 5.994 509 HG SER 63 HG SER 63 0.786 -10.840 6.045 510 H PHE 64 H PHE 64 0.233 -5.806 3.879 511 HA PHE 64 HA PHE 64 -1.746 -5.487 6.027 512 HB2 PHE 64 1HB PHE 64 0.474 -3.772 4.993 513 HB3 PHE 64 2HB PHE 64 -0.915 -2.996 5.747 514 HD1 PHE 64 1HD PHE 64 -1.618 -4.024 8.069 515 HD2 PHE 64 2HD PHE 64 2.246 -4.379 6.318 516 HE1 PHE 64 1HE PHE 64 -0.654 -4.456 10.291 517 HE2 PHE 64 2HE PHE 64 3.215 -4.812 8.538 518 HZ PHE 64 HZ PHE 64 1.765 -4.852 10.528 519 H MET 65 H MET 65 -0.898 -3.408 3.275 520 HA MET 65 HA MET 65 -3.752 -3.054 2.741 521 HB2 MET 65 1HB MET 65 -2.939 -1.186 1.252 522 HB3 MET 65 2HB MET 65 -2.597 -0.986 2.965 523 HG2 MET 65 1HG MET 65 -0.319 -1.512 2.675 524 HG3 MET 65 2HG MET 65 -0.592 -2.119 1.043 525 HE1 MET 65 3HE MET 65 -0.910 -0.864 -0.961 526 HE2 MET 65 1HE MET 65 -0.258 0.756 -1.211 527 HE3 MET 65 2HE MET 65 0.806 -0.552 -0.696 528 H GLU 66 H GLU 66 -4.613 -3.232 0.623 529 HA GLU 66 HA GLU 66 -2.962 -4.694 -1.313 530 HB2 GLU 66 1HB GLU 66 -4.147 -6.466 -0.299 531 HB3 GLU 66 2HB GLU 66 -5.634 -5.532 -0.212 532 HG2 GLU 66 1HG GLU 66 -5.775 -7.250 -1.918 533 HG3 GLU 66 2HG GLU 66 -5.863 -5.641 -2.631 534 H VAL 67 H VAL 67 -3.113 -3.893 -3.304 535 HA VAL 67 HA VAL 67 -5.395 -2.131 -3.922 536 HB VAL 67 HB VAL 67 -2.657 -1.982 -5.180 537 HG11 VAL 67 1HG1 VAL 67 -3.404 0.196 -5.963 538 HG12 VAL 67 2HG1 VAL 67 -4.511 -1.067 -6.505 539 HG13 VAL 67 3HG1 VAL 67 -4.954 -0.027 -5.151 540 HG21 VAL 67 3HG2 VAL 67 -2.433 0.102 -3.753 541 HG22 VAL 67 1HG2 VAL 67 -3.786 -0.520 -2.807 542 HG23 VAL 67 2HG2 VAL 67 -2.286 -1.441 -2.911 543 H SER 68 H SER 68 -6.414 -2.323 -5.891 544 HA SER 68 HA SER 68 -5.438 -4.067 -7.951 545 HB2 SER 68 1HB SER 68 -7.910 -5.259 -7.556 546 HB3 SER 68 2HB SER 68 -6.345 -5.967 -7.156 547 HG SER 68 HG SER 68 -7.661 -4.251 -5.348 548 H GLN 69 H GLN 69 -6.196 -3.410 -9.865 549 HA GLN 69 HA GLN 69 -8.537 -1.622 -9.869 550 HB2 GLN 69 1HB GLN 69 -5.936 -1.534 -11.312 551 HB3 GLN 69 2HB GLN 69 -7.359 -0.959 -12.170 552 HG2 GLN 69 1HG GLN 69 -7.795 0.671 -10.455 553 HG3 GLN 69 2HG GLN 69 -6.474 0.039 -9.473 554 HE21 GLN 69 1HE2 GLN 69 -7.361 2.344 -11.697 555 HE22 GLN 69 2HE2 GLN 69 -5.789 2.857 -12.199 556 H THR 70 H THR 70 -10.054 -1.807 -11.533 557 HA THR 70 HA THR 70 -10.395 -4.474 -12.542 558 HB THR 70 HB THR 70 -12.138 -2.310 -13.574 559 HG1 THR 70 1HG THR 70 -13.225 -2.270 -11.486 560 HG21 THR 70 3HG2 THR 70 -13.884 -3.958 -12.908 561 HG22 THR 70 1HG2 THR 70 -12.602 -5.020 -12.326 562 HG23 THR 70 2HG2 THR 70 -12.696 -4.607 -14.038 563 H VAL 71 H VAL 71 -9.359 -5.174 -14.287 564 HA VAL 71 HA VAL 71 -8.890 -3.287 -16.501 565 HB VAL 71 HB VAL 71 -6.953 -4.488 -17.123 566 HG11 VAL 71 1HG1 VAL 71 -7.051 -4.301 -14.115 567 HG12 VAL 71 2HG1 VAL 71 -5.576 -4.470 -15.070 568 HG13 VAL 71 3HG1 VAL 71 -6.577 -3.027 -15.238 569 HG21 VAL 71 3HG2 VAL 71 -7.342 -6.732 -17.031 570 HG22 VAL 71 1HG2 VAL 71 -6.374 -6.557 -15.567 571 HG23 VAL 71 2HG2 VAL 71 -8.132 -6.644 -15.456 572 H HIS 72 H HIS 72 -9.704 -3.733 -18.463 573 HA HIS 72 HA HIS 72 -11.028 -4.699 -20.047 574 HB2 HIS 72 1HB HIS 72 -9.137 -6.762 -19.151 575 HB3 HIS 72 2HB HIS 72 -10.575 -7.401 -19.941 576 HD1 HIS 72 1HD HIS 72 -11.075 -6.114 -22.365 577 HD2 HIS 72 2HD HIS 72 -7.187 -6.115 -20.901 578 HE1 HIS 72 1HE HIS 72 -9.611 -5.614 -24.347 579 H GLY 73 H GLY 73 -11.994 -4.540 -17.194 580 HA2 GLY 73 1HA GLY 73 -14.156 -4.893 -16.379 581 HA3 GLY 73 2HA GLY 73 -14.405 -6.104 -17.628 582 H LYS 74 H LYS 74 -11.601 -6.162 -15.555 583 HA LYS 74 HA LYS 74 -12.761 -8.074 -13.722 584 HB2 LYS 74 1HB LYS 74 -10.800 -8.866 -15.854 585 HB3 LYS 74 2HB LYS 74 -10.829 -9.713 -14.312 586 HG2 LYS 74 1HG LYS 74 -13.473 -9.698 -15.025 587 HG3 LYS 74 2HG LYS 74 -12.653 -9.880 -16.578 588 HD2 LYS 74 1HD LYS 74 -11.373 -11.773 -15.650 589 HD3 LYS 74 2HD LYS 74 -12.260 -11.607 -14.133 590 HE2 LYS 74 1HE LYS 74 -14.348 -12.089 -15.276 591 HE3 LYS 74 2HE LYS 74 -13.506 -12.173 -16.822 592 HZ1 LYS 74 3HZ LYS 74 -13.273 -14.033 -14.528 593 HZ2 LYS 74 1HZ LYS 74 -12.174 -14.028 -15.814 594 HZ3 LYS 74 2HZ LYS 74 -13.805 -14.378 -16.096 595 H ALA 75 H ALA 75 -11.876 -7.794 -11.782 596 HA ALA 75 HA ALA 75 -9.995 -5.877 -11.173 597 HB1 ALA 75 1HB ALA 75 -11.510 -6.909 -9.534 598 HB2 ALA 75 2HB ALA 75 -10.545 -8.385 -9.590 599 HB3 ALA 75 3HB ALA 75 -9.836 -6.891 -8.977 600 H GLN 76 H GLN 76 -7.801 -5.837 -10.816 601 HA GLN 76 HA GLN 76 -6.269 -8.272 -11.368 602 HB2 GLN 76 1HB GLN 76 -6.354 -7.127 -13.497 603 HB3 GLN 76 2HB GLN 76 -5.867 -5.614 -12.746 604 HG2 GLN 76 1HG GLN 76 -3.963 -7.722 -12.221 605 HG3 GLN 76 2HG GLN 76 -4.219 -7.485 -13.949 606 HE21 GLN 76 1HE2 GLN 76 -3.507 -5.639 -14.917 607 HE22 GLN 76 2HE2 GLN 76 -2.544 -4.450 -14.114 608 H ASN 77 H ASN 77 -4.369 -8.447 -10.253 609 HA ASN 77 HA ASN 77 -4.043 -6.746 -7.976 610 HB2 ASN 77 1HB ASN 77 -2.551 -9.131 -9.045 611 HB3 ASN 77 2HB ASN 77 -1.932 -8.212 -7.676 612 HD21 ASN 77 1HD2 ASN 77 -5.008 -9.600 -8.779 613 HD22 ASN 77 2HD2 ASN 77 -5.452 -10.264 -7.247 614 H LEU 78 H LEU 78 -3.190 -4.782 -8.160 615 HA LEU 78 HA LEU 78 -1.452 -4.010 -10.276 616 HB2 LEU 78 1HB LEU 78 -2.214 -2.657 -7.697 617 HB3 LEU 78 2HB LEU 78 -1.204 -1.908 -8.932 618 HG LEU 78 HG LEU 78 -4.102 -2.702 -9.192 619 HD11 LEU 78 1HD1 LEU 78 -4.632 -0.523 -8.942 620 HD12 LEU 78 2HD1 LEU 78 -3.147 0.042 -9.706 621 HD13 LEU 78 3HD1 LEU 78 -3.126 -0.493 -8.026 622 HD21 LEU 78 3HD2 LEU 78 -2.217 -1.556 -11.249 623 HD22 LEU 78 1HD2 LEU 78 -3.963 -1.715 -11.442 624 HD23 LEU 78 2HD2 LEU 78 -2.959 -3.157 -11.279 625 H GLN 79 H GLN 79 0.644 -4.409 -10.441 626 HA GLN 79 HA GLN 79 2.160 -5.086 -8.026 627 HB2 GLN 79 1HB GLN 79 2.905 -5.462 -10.932 628 HB3 GLN 79 2HB GLN 79 3.816 -6.048 -9.546 629 HG2 GLN 79 1HG GLN 79 1.115 -6.957 -10.492 630 HG3 GLN 79 2HG GLN 79 2.614 -7.883 -10.434 631 HE21 GLN 79 1HE2 GLN 79 0.021 -8.472 -9.249 632 HE22 GLN 79 2HE2 GLN 79 0.294 -8.639 -7.552 633 H TYR 80 H TYR 80 4.685 -4.522 -8.596 634 HA TYR 80 HA TYR 80 5.004 -1.844 -8.019 635 HB2 TYR 80 1HB TYR 80 6.773 -3.494 -7.672 636 HB3 TYR 80 2HB TYR 80 6.962 -3.682 -9.412 637 HD1 TYR 80 1HD TYR 80 7.111 -1.057 -6.761 638 HD2 TYR 80 2HD TYR 80 8.585 -2.442 -10.504 639 HE1 TYR 80 1HE TYR 80 8.775 0.754 -6.769 640 HE2 TYR 80 2HE TYR 80 10.254 -0.635 -10.521 641 HH TYR 80 HH TYR 80 10.734 1.451 -7.751 642 H ALA 81 H ALA 81 5.065 0.001 -9.149 643 HA ALA 81 HA ALA 81 4.332 -0.049 -11.934 644 HB1 ALA 81 1HB ALA 81 4.176 1.818 -9.781 645 HB2 ALA 81 2HB ALA 81 4.975 2.583 -11.155 646 HB3 ALA 81 3HB ALA 81 3.377 1.866 -11.353 647 H VAL 82 H VAL 82 5.836 -0.453 -13.421 648 HA VAL 82 HA VAL 82 8.611 -0.050 -13.051 649 HB VAL 82 HB VAL 82 7.020 -0.512 -15.576 650 HG11 VAL 82 1HG1 VAL 82 8.925 0.344 -16.496 651 HG12 VAL 82 2HG1 VAL 82 9.928 -0.106 -15.116 652 HG13 VAL 82 3HG1 VAL 82 9.434 -1.330 -16.286 653 HG21 VAL 82 3HG2 VAL 82 6.831 -2.411 -14.197 654 HG22 VAL 82 1HG2 VAL 82 8.114 -2.797 -15.344 655 HG23 VAL 82 2HG2 VAL 82 8.520 -2.316 -13.696 656 H LEU 83 H LEU 83 9.901 1.641 -13.473 657 HA LEU 83 HA LEU 83 8.955 3.814 -15.171 658 HB2 LEU 83 1HB LEU 83 9.771 5.446 -13.381 659 HB3 LEU 83 2HB LEU 83 8.197 4.686 -13.155 660 HG LEU 83 HG LEU 83 9.417 3.016 -11.651 661 HD11 LEU 83 1HD1 LEU 83 11.422 4.748 -10.734 662 HD12 LEU 83 2HD1 LEU 83 11.618 4.652 -12.483 663 HD13 LEU 83 3HD1 LEU 83 11.622 3.179 -11.513 664 HD21 LEU 83 3HD2 LEU 83 8.788 4.239 -9.847 665 HD22 LEU 83 1HD2 LEU 83 8.035 5.228 -11.098 666 HD23 LEU 83 2HD2 LEU 83 9.591 5.703 -10.417 667 H THR 84 H THR 84 10.595 5.052 -16.080 668 HA THR 84 HA THR 84 13.111 3.758 -16.358 669 HB THR 84 HB THR 84 13.743 5.650 -17.773 670 HG1 THR 84 1HG THR 84 12.734 7.522 -17.647 671 HG21 THR 84 3HG2 THR 84 12.530 4.143 -19.035 672 HG22 THR 84 1HG2 THR 84 11.593 5.618 -19.265 673 HG23 THR 84 2HG2 THR 84 11.050 4.399 -18.112 674 H ASP 85 H ASP 85 11.986 6.566 -14.553 675 HA ASP 85 HA ASP 85 14.004 6.389 -12.615 676 HB2 ASP 85 1HB ASP 85 15.149 7.366 -14.820 677 HB3 ASP 85 2HB ASP 85 14.488 8.870 -14.186 678 H SER 86 H SER 86 13.645 7.773 -10.890 679 HA SER 86 HA SER 86 11.767 9.964 -11.156 680 HB2 SER 86 1HB SER 86 11.114 7.445 -9.630 681 HB3 SER 86 2HB SER 86 10.347 8.989 -9.259 682 HG SER 86 HG SER 86 9.895 8.970 -11.660 683 HA PRO 87 HA PRO 87 14.118 11.659 -7.862 684 HB2 PRO 87 1HB PRO 87 12.267 13.212 -6.624 685 HB3 PRO 87 2HB PRO 87 12.962 13.616 -8.198 686 HG2 PRO 87 1HG PRO 87 10.336 12.327 -7.561 687 HG3 PRO 87 2HG PRO 87 10.702 13.595 -8.745 688 HD2 PRO 87 1HD PRO 87 10.394 10.996 -9.441 689 HD3 PRO 87 2HD PRO 87 11.500 12.090 -10.297 690 H PHE 88 H PHE 88 11.242 9.846 -7.161 691 HA PHE 88 HA PHE 88 11.865 9.694 -4.315 692 HB2 PHE 88 1HB PHE 88 9.525 8.941 -6.012 693 HB3 PHE 88 2HB PHE 88 9.754 8.103 -4.480 694 HD1 PHE 88 2HD PHE 88 9.866 11.607 -5.770 695 HD2 PHE 88 1HD PHE 88 8.619 8.951 -2.686 696 HE1 PHE 88 2HE PHE 88 8.798 13.483 -4.591 697 HE2 PHE 88 1HE PHE 88 7.548 10.824 -1.502 698 HZ PHE 88 HZ PHE 88 7.638 13.093 -2.454 699 H GLN 89 H GLN 89 13.801 8.579 -6.010 700 HA GLN 89 HA GLN 89 13.438 5.741 -6.196 701 HB2 GLN 89 1HB GLN 89 15.113 7.532 -7.407 702 HB3 GLN 89 2HB GLN 89 16.194 6.761 -6.254 703 HG2 GLN 89 1HG GLN 89 14.457 5.163 -8.101 704 HG3 GLN 89 2HG GLN 89 16.039 5.766 -8.593 705 HE21 GLN 89 1HE2 GLN 89 14.442 3.192 -7.321 706 HE22 GLN 89 2HE2 GLN 89 15.760 2.388 -6.544 707 H ASP 90 H ASP 90 14.308 7.875 -3.711 708 HA ASP 90 HA ASP 90 16.071 6.181 -2.250 709 HB2 ASP 90 1HB ASP 90 15.016 8.815 -1.988 710 HB3 ASP 90 2HB ASP 90 14.691 7.949 -0.489 711 H LYS 91 H LYS 91 12.672 7.094 -1.657 712 HA LYS 91 HA LYS 91 12.229 5.226 0.391 713 HB2 LYS 91 1HB LYS 91 10.187 6.374 -1.521 714 HB3 LYS 91 2HB LYS 91 9.859 5.668 0.056 715 HG2 LYS 91 1HG LYS 91 9.889 7.790 0.759 716 HG3 LYS 91 2HG LYS 91 11.643 7.600 0.715 717 HD2 LYS 91 1HD LYS 91 10.978 8.254 -1.892 718 HD3 LYS 91 2HD LYS 91 9.910 9.265 -0.916 719 HE2 LYS 91 1HE LYS 91 12.785 9.084 -0.164 720 HE3 LYS 91 2HE LYS 91 12.342 10.054 -1.568 721 HZ1 LYS 91 3HZ LYS 91 11.204 11.548 -0.293 722 HZ2 LYS 91 1HZ LYS 91 12.410 11.098 0.805 723 HZ3 LYS 91 2HZ LYS 91 10.859 10.436 0.934 724 H LEU 92 H LEU 92 12.245 4.905 -3.059 725 HA LEU 92 HA LEU 92 10.707 2.539 -3.267 726 HB2 LEU 92 1HB LEU 92 12.738 3.877 -5.012 727 HB3 LEU 92 2HB LEU 92 12.106 2.286 -5.432 728 HG LEU 92 HG LEU 92 10.445 4.782 -5.086 729 HD11 LEU 92 1HD1 LEU 92 11.884 3.638 -7.374 730 HD12 LEU 92 2HD1 LEU 92 11.315 5.283 -7.093 731 HD13 LEU 92 3HD1 LEU 92 10.197 4.052 -7.680 732 HD21 LEU 92 3HD2 LEU 92 9.746 2.036 -5.061 733 HD22 LEU 92 1HD2 LEU 92 9.177 2.726 -6.582 734 HD23 LEU 92 2HD2 LEU 92 8.680 3.442 -5.049 735 H ASP 93 H ASP 93 13.873 3.146 -2.133 736 HA ASP 93 HA ASP 93 14.904 0.504 -2.646 737 HB2 ASP 93 1HB ASP 93 16.064 2.938 -2.095 738 HB3 ASP 93 2HB ASP 93 16.255 2.074 -0.572 739 H ARG 94 H ARG 94 12.607 1.584 -0.598 740 HA ARG 94 HA ARG 94 13.407 -0.052 1.686 741 HB2 ARG 94 1HB ARG 94 10.887 1.583 1.402 742 HB3 ARG 94 2HB ARG 94 11.611 0.969 2.883 743 HG2 ARG 94 1HG ARG 94 12.828 3.064 1.094 744 HG3 ARG 94 2HG ARG 94 11.955 3.378 2.596 745 HD2 ARG 94 1HD ARG 94 14.530 1.841 2.283 746 HD3 ARG 94 2HD ARG 94 14.331 3.432 3.015 747 HE ARG 94 HE ARG 94 12.715 1.894 4.518 748 HH11 ARG 94 1HH1 ARG 94 16.026 1.540 3.503 749 HH12 ARG 94 2HH1 ARG 94 16.501 0.655 4.915 750 HH21 ARG 94 1HH2 ARG 94 13.328 0.730 6.382 751 HH22 ARG 94 2HH2 ARG 94 14.965 0.195 6.551 752 H LEU 95 H LEU 95 12.622 -1.169 -0.959 753 HA LEU 95 HA LEU 95 10.327 -2.787 -0.066 754 HB2 LEU 95 1HB LEU 95 11.146 -2.045 -2.869 755 HB3 LEU 95 2HB LEU 95 9.851 -3.169 -2.465 756 HG LEU 95 HG LEU 95 9.893 -0.231 -1.775 757 HD11 LEU 95 1HD1 LEU 95 9.632 -0.971 -4.234 758 HD12 LEU 95 2HD1 LEU 95 8.461 0.159 -3.555 759 HD13 LEU 95 3HD1 LEU 95 8.044 -1.546 -3.726 760 HD21 LEU 95 3HD2 LEU 95 7.924 -2.441 -1.277 761 HD22 LEU 95 1HD2 LEU 95 7.427 -0.750 -1.341 762 HD23 LEU 95 2HD2 LEU 95 8.598 -1.280 -0.132 763 H ALA 96 H ALA 96 13.266 -2.857 -2.070 764 HA ALA 96 HA ALA 96 13.377 -5.765 -1.815 765 HB1 ALA 96 1HB ALA 96 15.605 -4.664 -3.243 766 HB2 ALA 96 2HB ALA 96 14.313 -5.715 -3.826 767 HB3 ALA 96 3HB ALA 96 14.101 -3.964 -3.842 768 H ASP 97 H ASP 97 13.926 -3.841 0.419 769 HA ASP 97 HA ASP 97 16.593 -4.874 1.112 770 HB2 ASP 97 1HB ASP 97 16.084 -2.219 0.625 771 HB3 ASP 97 2HB ASP 97 15.892 -2.318 2.373 772 H GLU 98 H GLU 98 16.725 -3.919 3.701 773 HA GLU 98 HA GLU 98 14.641 -5.535 4.981 774 HB2 GLU 98 1HB GLU 98 17.278 -4.558 6.091 775 HB3 GLU 98 2HB GLU 98 16.154 -5.636 6.907 776 HG2 GLU 98 1HG GLU 98 16.620 -7.409 5.480 777 HG3 GLU 98 2HG GLU 98 17.314 -6.358 4.247 778 H ILE 99 H ILE 99 13.900 -4.796 7.154 779 HA ILE 99 HA ILE 99 13.354 -1.912 7.061 780 HB ILE 99 HB ILE 99 11.862 -3.548 8.999 781 HG12 ILE 99 1HG1 ILE 99 10.408 -4.043 6.708 782 HG13 ILE 99 2HG1 ILE 99 12.063 -4.333 6.183 783 HG21 ILE 99 1HG2 ILE 99 10.053 -2.236 7.463 784 HG22 ILE 99 2HG2 ILE 99 10.852 -1.545 8.874 785 HG23 ILE 99 3HG2 ILE 99 11.477 -1.216 7.258 786 HD11 ILE 99 3HD1 ILE 99 10.742 -6.308 7.086 787 HD12 ILE 99 1HD1 ILE 99 12.367 -6.059 7.722 788 HD13 ILE 99 2HD1 ILE 99 10.963 -5.577 8.675 789 H ASN 100 H ASN 100 12.651 -1.309 9.569 790 HA ASN 100 HA ASN 100 15.065 -1.885 11.158 791 HB2 ASN 100 1HB ASN 100 13.728 0.653 10.475 792 HB3 ASN 100 2HB ASN 100 14.185 0.488 12.168 793 HD21 ASN 100 1HD2 ASN 100 15.806 -0.821 9.326 794 HD22 ASN 100 2HD2 ASN 100 17.279 0.056 9.540 795 HA PRO 101 HA PRO 101 11.557 -3.503 13.625 796 HB2 PRO 101 1HB PRO 101 13.016 -5.480 14.781 797 HB3 PRO 101 2HB PRO 101 12.264 -5.645 13.190 798 HG2 PRO 101 1HG PRO 101 15.101 -4.991 13.886 799 HG3 PRO 101 2HG PRO 101 14.479 -6.089 12.640 800 HD2 PRO 101 1HD PRO 101 15.350 -3.588 12.075 801 HD3 PRO 101 2HD PRO 101 14.041 -4.371 11.166 802 H GLY 102 H GLY 102 11.433 -1.734 15.018 803 HA2 GLY 102 1HA GLY 102 11.594 -1.468 17.470 804 HA3 GLY 102 2HA GLY 102 13.308 -1.822 17.302 805 H GLU 103 H GLU 103 12.349 0.023 14.708 806 HA GLU 103 HA GLU 103 13.153 2.510 16.072 807 HB2 GLU 103 1HB GLU 103 14.726 1.364 14.312 808 HB3 GLU 103 2HB GLU 103 13.622 2.082 13.147 809 HG2 GLU 103 1HG GLU 103 14.515 4.097 13.399 810 HG3 GLU 103 2HG GLU 103 14.453 3.989 15.157 811 H THR 104 H THR 104 12.560 4.467 14.553 812 HA THR 104 HA THR 104 9.746 4.107 13.750 813 HB THR 104 HB THR 104 9.719 5.490 15.671 814 HG1 THR 104 1HG THR 104 9.115 7.565 14.714 815 HG21 THR 104 3HG2 THR 104 11.236 7.753 15.150 816 HG22 THR 104 1HG2 THR 104 12.269 6.420 14.636 817 HG23 THR 104 2HG2 THR 104 11.638 6.463 16.283 818 H ILE 105 H ILE 105 9.925 3.877 11.572 819 HA ILE 105 HA ILE 105 10.822 6.224 10.091 820 HB ILE 105 HB ILE 105 12.158 4.992 8.523 821 HG12 ILE 105 1HG1 ILE 105 12.584 2.472 9.602 822 HG13 ILE 105 2HG1 ILE 105 10.847 2.702 9.770 823 HG21 ILE 105 1HG2 ILE 105 14.029 4.329 9.934 824 HG22 ILE 105 2HG2 ILE 105 13.275 5.801 10.544 825 HG23 ILE 105 3HG2 ILE 105 12.961 4.256 11.335 826 HD11 ILE 105 3HD1 ILE 105 10.493 2.711 7.523 827 HD12 ILE 105 1HD1 ILE 105 12.097 3.347 7.159 828 HD13 ILE 105 2HD1 ILE 105 11.901 1.652 7.605 829 H GLN 106 H GLN 106 10.528 5.405 7.548 830 HA GLN 106 HA GLN 106 8.043 3.944 7.247 831 HB2 GLN 106 1HB GLN 106 6.836 5.733 6.164 832 HB3 GLN 106 2HB GLN 106 7.328 6.262 7.767 833 HG2 GLN 106 1HG GLN 106 9.344 7.313 6.574 834 HG3 GLN 106 2HG GLN 106 8.401 7.094 5.101 835 HE21 GLN 106 1HE2 GLN 106 7.848 8.237 8.420 836 HE22 GLN 106 2HE2 GLN 106 6.974 9.656 7.965 837 H GLY 107 H GLY 107 7.387 4.598 4.680 838 HA2 GLY 107 1HA GLY 107 9.657 4.702 2.946 839 HA3 GLY 107 2HA GLY 107 9.059 3.059 3.127 840 H ALA 108 H ALA 108 8.570 3.066 0.872 841 HA ALA 108 HA ALA 108 5.943 4.228 0.331 842 HB1 ALA 108 1HB ALA 108 8.006 4.435 -1.817 843 HB2 ALA 108 2HB ALA 108 6.526 5.366 -1.586 844 HB3 ALA 108 3HB ALA 108 7.927 5.668 -0.558 845 H TYR 109 H TYR 109 5.264 3.424 -2.006 846 HA TYR 109 HA TYR 109 6.264 0.986 -2.978 847 HB2 TYR 109 1HB TYR 109 5.200 0.411 -0.641 848 HB3 TYR 109 2HB TYR 109 3.687 0.494 -1.537 849 HD1 TYR 109 2HD TYR 109 4.973 -0.576 -4.169 850 HD2 TYR 109 1HD TYR 109 4.994 -1.939 -0.139 851 HE1 TYR 109 2HE TYR 109 5.310 -2.881 -4.957 852 HE2 TYR 109 1HE TYR 109 5.332 -4.248 -0.915 853 HH TYR 109 HH TYR 109 5.636 -5.577 -2.665 854 HA PRO 110 HA PRO 110 3.358 3.214 -5.747 855 HB2 PRO 110 1HB PRO 110 4.875 2.850 -7.969 856 HB3 PRO 110 2HB PRO 110 5.142 4.175 -6.829 857 HG2 PRO 110 1HG PRO 110 6.579 1.559 -7.063 858 HG3 PRO 110 2HG PRO 110 7.244 3.180 -6.795 859 HD2 PRO 110 1HD PRO 110 6.904 1.395 -4.787 860 HD3 PRO 110 2HD PRO 110 6.752 3.147 -4.543 861 H TYR 111 H TYR 111 1.991 2.409 -7.370 862 HA TYR 111 HA TYR 111 2.209 -0.480 -7.901 863 HB2 TYR 111 1HB TYR 111 -0.216 1.114 -7.088 864 HB3 TYR 111 2HB TYR 111 -0.352 -0.447 -7.889 865 HD1 TYR 111 1HD TYR 111 1.510 1.062 -5.014 866 HD2 TYR 111 2HD TYR 111 -0.644 -2.280 -6.528 867 HE1 TYR 111 1HE TYR 111 1.745 -0.066 -2.841 868 HE2 TYR 111 2HE TYR 111 -0.416 -3.417 -4.359 869 HH TYR 111 HH TYR 111 0.602 -3.376 -2.357 870 H GLU 112 H GLU 112 0.712 -1.124 -9.768 871 HA GLU 112 HA GLU 112 1.517 0.258 -12.079 872 HB2 GLU 112 1HB GLU 112 -0.256 -2.025 -11.462 873 HB3 GLU 112 2HB GLU 112 -0.581 -1.199 -12.979 874 HG2 GLU 112 1HG GLU 112 1.755 -1.534 -13.647 875 HG3 GLU 112 2HG GLU 112 2.047 -2.402 -12.141 876 H PHE 113 H PHE 113 0.785 2.089 -12.909 877 HA PHE 113 HA PHE 113 -1.880 3.035 -12.127 878 HB2 PHE 113 1HB PHE 113 0.517 4.340 -12.058 879 HB3 PHE 113 2HB PHE 113 -0.121 4.874 -13.609 880 HD1 PHE 113 2HD PHE 113 -1.696 4.202 -10.294 881 HD2 PHE 113 1HD PHE 113 -0.975 6.992 -13.426 882 HE1 PHE 113 2HE PHE 113 -3.105 5.857 -9.140 883 HE2 PHE 113 1HE PHE 113 -2.382 8.652 -12.276 884 HZ PHE 113 HZ PHE 113 -3.450 8.085 -10.131 885 H ILE 114 H ILE 114 -0.729 1.230 -14.482 886 HA ILE 114 HA ILE 114 -1.179 2.302 -16.937 887 HB ILE 114 HB ILE 114 -2.119 -0.420 -16.027 888 HG12 ILE 114 1HG1 ILE 114 0.392 0.017 -17.570 889 HG13 ILE 114 2HG1 ILE 114 0.401 0.437 -15.861 890 HG21 ILE 114 1HG2 ILE 114 -1.715 0.764 -18.760 891 HG22 ILE 114 2HG2 ILE 114 -1.752 -0.975 -18.472 892 HG23 ILE 114 3HG2 ILE 114 -3.165 0.011 -18.097 893 HD11 ILE 114 3HD1 ILE 114 0.553 -2.144 -17.123 894 HD12 ILE 114 1HD1 ILE 114 0.865 -1.686 -15.449 895 HD13 ILE 114 2HD1 ILE 114 -0.776 -2.076 -15.965 896 H ASN 115 H ASN 115 -3.602 1.402 -14.561 897 HA ASN 115 HA ASN 115 -5.772 2.048 -16.398 898 HB2 ASN 115 1HB ASN 115 -5.648 0.853 -13.641 899 HB3 ASN 115 2HB ASN 115 -7.168 1.452 -14.298 900 HD21 ASN 115 1HD2 ASN 115 -8.343 0.085 -15.430 901 HD22 ASN 115 2HD2 ASN 115 -7.782 -1.386 -16.143 902 H GLU 116 H GLU 116 -4.159 4.225 -15.876 903 HA GLU 116 HA GLU 116 -4.881 5.849 -13.732 904 HB2 GLU 116 1HB GLU 116 -4.022 7.707 -15.025 905 HB3 GLU 116 2HB GLU 116 -2.990 6.303 -15.261 906 HG2 GLU 116 1HG GLU 116 -5.180 6.980 -17.189 907 HG3 GLU 116 2HG GLU 116 -3.582 7.716 -17.301 908 H ASN 117 H ASN 117 -6.568 5.117 -16.678 909 HA ASN 117 HA ASN 117 -8.392 7.314 -16.561 910 HB2 ASN 117 1HB ASN 117 -9.723 5.629 -18.120 911 HB3 ASN 117 2HB ASN 117 -8.303 6.491 -18.706 912 HD21 ASN 117 1HD2 ASN 117 -6.287 5.370 -18.757 913 HD22 ASN 117 2HD2 ASN 117 -6.253 3.649 -18.907 914 H LYS 118 H LYS 118 -8.130 4.347 -14.908 915 HA LYS 118 HA LYS 118 -10.952 4.456 -14.085 916 HB2 LYS 118 1HB LYS 118 -9.000 2.187 -13.676 917 HB3 LYS 118 2HB LYS 118 -10.737 2.152 -13.402 918 HG2 LYS 118 1HG LYS 118 -9.426 2.544 -16.085 919 HG3 LYS 118 2HG LYS 118 -10.059 1.013 -15.477 920 HD2 LYS 118 1HD LYS 118 -12.267 2.314 -15.161 921 HD3 LYS 118 2HD LYS 118 -11.546 3.498 -16.254 922 HE2 LYS 118 1HE LYS 118 -11.173 1.651 -17.889 923 HE3 LYS 118 2HE LYS 118 -12.073 0.582 -16.814 924 HZ1 LYS 118 3HZ LYS 118 -13.104 3.005 -18.183 925 HZ2 LYS 118 1HZ LYS 118 -13.972 2.129 -17.025 926 HZ3 LYS 118 2HZ LYS 118 -13.540 1.400 -18.489 927 HA PRO 119 HA PRO 119 -9.885 5.789 -10.039 928 HB2 PRO 119 1HB PRO 119 -11.816 4.572 -8.570 929 HB3 PRO 119 2HB PRO 119 -12.140 5.948 -9.630 930 HG2 PRO 119 1HG PRO 119 -12.570 3.028 -10.131 931 HG3 PRO 119 2HG PRO 119 -13.632 4.397 -10.512 932 HD2 PRO 119 1HD PRO 119 -12.058 3.212 -12.370 933 HD3 PRO 119 2HD PRO 119 -12.454 4.942 -12.417 934 H VAL 120 H VAL 120 -8.736 5.171 -8.243 935 HA VAL 120 HA VAL 120 -7.603 2.518 -8.288 936 HB VAL 120 HB VAL 120 -7.118 4.773 -6.337 937 HG11 VAL 120 1HG1 VAL 120 -6.314 2.919 -5.232 938 HG12 VAL 120 2HG1 VAL 120 -5.885 2.082 -6.726 939 HG13 VAL 120 3HG1 VAL 120 -4.893 3.421 -6.147 940 HG21 VAL 120 3HG2 VAL 120 -6.207 5.742 -8.155 941 HG22 VAL 120 1HG2 VAL 120 -4.883 4.615 -7.859 942 HG23 VAL 120 2HG2 VAL 120 -6.124 4.224 -9.049 943 H HIS 121 H HIS 121 -7.864 0.907 -6.798 944 HA HIS 121 HA HIS 121 -10.152 1.205 -4.987 945 HB2 HIS 121 1HB HIS 121 -9.531 -0.780 -6.798 946 HB3 HIS 121 2HB HIS 121 -9.017 -1.480 -5.266 947 HD1 HIS 121 1HD HIS 121 -11.393 -0.006 -3.647 948 HD2 HIS 121 2HD HIS 121 -11.753 -2.460 -6.980 949 HE1 HIS 121 1HE HIS 121 -13.740 -0.906 -3.568 950 H PHE 122 H PHE 122 -9.244 2.168 -3.200 951 HA PHE 122 HA PHE 122 -6.897 0.949 -1.974 952 HB2 PHE 122 1HB PHE 122 -8.464 3.458 -1.381 953 HB3 PHE 122 2HB PHE 122 -7.186 2.869 -0.322 954 HD1 PHE 122 2HD PHE 122 -5.009 2.124 -1.865 955 HD2 PHE 122 1HD PHE 122 -7.818 5.213 -2.689 956 HE1 PHE 122 2HE PHE 122 -3.332 3.276 -3.249 957 HE2 PHE 122 1HE PHE 122 -6.146 6.369 -4.075 958 HZ PHE 122 HZ PHE 122 -3.899 5.401 -4.356 959 H LYS 123 H LYS 123 -7.345 -0.850 -0.862 960 HA LYS 123 HA LYS 123 -9.594 -0.765 1.042 961 HB2 LYS 123 1HB LYS 123 -9.989 -2.381 -0.764 962 HB3 LYS 123 2HB LYS 123 -8.461 -3.171 -0.399 963 HG2 LYS 123 1HG LYS 123 -9.286 -3.841 1.773 964 HG3 LYS 123 2HG LYS 123 -10.795 -2.969 1.494 965 HD2 LYS 123 1HD LYS 123 -11.121 -5.334 1.084 966 HD3 LYS 123 2HD LYS 123 -11.257 -4.439 -0.431 967 HE2 LYS 123 1HE LYS 123 -9.344 -5.328 -1.285 968 HE3 LYS 123 2HE LYS 123 -8.578 -5.478 0.296 969 HZ1 LYS 123 3HZ LYS 123 -9.128 -7.608 0.293 970 HZ2 LYS 123 1HZ LYS 123 -9.927 -7.446 -1.189 971 HZ3 LYS 123 2HZ LYS 123 -10.769 -7.198 0.257 972 H PHE 124 H PHE 124 -9.294 -1.860 3.054 973 HA PHE 124 HA PHE 124 -6.521 -2.510 3.750 974 HB2 PHE 124 1HB PHE 124 -8.304 -0.587 5.255 975 HB3 PHE 124 2HB PHE 124 -6.806 -1.251 5.901 976 HD1 PHE 124 2HD PHE 124 -8.280 1.059 3.485 977 HD2 PHE 124 1HD PHE 124 -4.660 -0.533 5.059 978 HE1 PHE 124 2HE PHE 124 -7.018 2.878 2.413 979 HE2 PHE 124 1HE PHE 124 -3.392 1.285 3.990 980 HZ PHE 124 HZ PHE 124 -4.571 2.993 2.664 981 H ARG 125 H ARG 125 -6.292 -4.164 5.176 982 HA ARG 125 HA ARG 125 -8.187 -5.028 7.042 983 HB2 ARG 125 1HB ARG 125 -9.644 -5.710 5.319 984 HB3 ARG 125 2HB ARG 125 -8.328 -6.353 4.345 985 HG2 ARG 125 1HG ARG 125 -9.699 -8.120 5.338 986 HG3 ARG 125 2HG ARG 125 -8.028 -8.183 5.900 987 HD2 ARG 125 1HD ARG 125 -8.715 -8.041 8.005 988 HD3 ARG 125 2HD ARG 125 -9.503 -6.503 7.657 989 HE ARG 125 HE ARG 125 -11.297 -8.285 6.748 990 HH11 ARG 125 1HH1 ARG 125 -9.562 -8.032 9.756 991 HH12 ARG 125 2HH1 ARG 125 -10.815 -8.777 10.692 992 HH21 ARG 125 1HH2 ARG 125 -12.954 -9.266 7.970 993 HH22 ARG 125 2HH2 ARG 125 -12.744 -9.479 9.675 994 H ASP 126 H ASP 126 -5.547 -5.825 4.888 995 HA ASP 126 HA ASP 126 -3.582 -6.921 5.240 996 HB2 ASP 126 1HB ASP 126 -4.185 -7.351 8.135 997 HB3 ASP 126 2HB ASP 126 -2.661 -6.930 7.358 998 H ARG 127 H ARG 127 -2.767 -9.051 5.424 999 HA ARG 127 HA ARG 127 -4.800 -11.071 5.152 1000 HB2 ARG 127 1HB ARG 127 -1.812 -11.488 5.197 1001 HB3 ARG 127 2HB ARG 127 -3.032 -12.534 4.483 1002 HG2 ARG 127 1HG ARG 127 -2.240 -9.792 3.527 1003 HG3 ARG 127 2HG ARG 127 -1.857 -11.332 2.756 1004 HD2 ARG 127 1HD ARG 127 -3.740 -11.149 1.591 1005 HD3 ARG 127 2HD ARG 127 -4.636 -11.322 3.099 1006 HE ARG 127 HE ARG 127 -3.774 -8.639 2.679 1007 HH11 ARG 127 1HH1 ARG 127 -6.180 -10.980 1.756 1008 HH12 ARG 127 2HH1 ARG 127 -7.376 -9.789 1.365 1009 HH21 ARG 127 1HH2 ARG 127 -5.341 -7.062 2.167 1010 HH22 ARG 127 2HH2 ARG 127 -6.897 -7.561 1.597 1011 H LEU 128 H LEU 128 -3.641 -13.329 6.184 1012 HA LEU 128 HA LEU 128 -3.426 -14.577 8.075 1013 HB2 LEU 128 1HB LEU 128 -1.688 -12.625 8.467 1014 HB3 LEU 128 2HB LEU 128 -2.826 -12.186 9.739 1015 HG LEU 128 HG LEU 128 -2.379 -14.907 10.111 1016 HD11 LEU 128 1HD1 LEU 128 0.346 -13.786 10.073 1017 HD12 LEU 128 2HD1 LEU 128 -0.345 -14.197 8.504 1018 HD13 LEU 128 3HD1 LEU 128 -0.215 -15.428 9.760 1019 HD21 LEU 128 3HD2 LEU 128 -2.511 -12.755 11.651 1020 HD22 LEU 128 1HD2 LEU 128 -0.756 -12.926 11.613 1021 HD23 LEU 128 2HD2 LEU 128 -1.758 -14.252 12.203 1022 H LEU 129 H LEU 129 -5.176 -15.384 9.006 1023 HA LEU 129 HA LEU 129 -7.120 -15.580 10.169 1024 HB2 LEU 129 1HB LEU 129 -6.602 -12.839 11.283 1025 HB3 LEU 129 2HB LEU 129 -7.513 -14.159 12.013 1026 HG LEU 129 HG LEU 129 -4.540 -14.280 11.553 1027 HD11 LEU 129 1HD1 LEU 129 -5.176 -12.370 13.023 1028 HD12 LEU 129 2HD1 LEU 129 -4.203 -13.606 13.819 1029 HD13 LEU 129 3HD1 LEU 129 -5.940 -13.529 14.111 1030 HD21 LEU 129 3HD2 LEU 129 -5.561 -15.780 13.770 1031 HD22 LEU 129 1HD2 LEU 129 -4.704 -16.349 12.337 1032 HD23 LEU 129 2HD2 LEU 129 -6.460 -16.189 12.308 1033 H SER 130 H SER 130 -9.273 -14.315 10.635 1034 HA SER 130 HA SER 130 -11.123 -13.315 9.768 1035 HB2 SER 130 1HB SER 130 -9.618 -11.479 7.998 1036 HB3 SER 130 2HB SER 130 -10.891 -11.129 9.168 1037 HG SER 130 HG SER 130 -9.266 -11.509 10.813 1038 H LEU 131 H LEU 131 -12.323 -12.909 7.709 1039 HA LEU 131 HA LEU 131 -11.241 -13.926 5.261 1040 HB2 LEU 131 1HB LEU 131 -13.118 -15.729 5.195 1041 HB3 LEU 131 2HB LEU 131 -11.576 -16.076 5.975 1042 HG LEU 131 HG LEU 131 -13.777 -15.043 7.680 1043 HD11 LEU 131 1HD1 LEU 131 -13.784 -17.955 7.342 1044 HD12 LEU 131 2HD1 LEU 131 -14.415 -17.049 5.967 1045 HD13 LEU 131 3HD1 LEU 131 -15.124 -16.831 7.567 1046 HD21 LEU 131 3HD2 LEU 131 -12.379 -15.705 9.269 1047 HD22 LEU 131 1HD2 LEU 131 -11.223 -16.177 8.023 1048 HD23 LEU 131 2HD2 LEU 131 -12.387 -17.352 8.636 1049 H ASP 132 H ASP 132 -14.121 -13.108 7.133 1050 HA ASP 132 HA ASP 132 -15.872 -12.646 4.996 1051 HB2 ASP 132 1HB ASP 132 -17.314 -11.695 6.554 1052 HB3 ASP 132 2HB ASP 132 -16.315 -12.736 7.563 1053 H GLU 133 H GLU 133 -16.833 -10.105 5.162 1054 HA GLU 133 HA GLU 133 -15.312 -8.677 3.366 1055 HB2 GLU 133 1HB GLU 133 -16.619 -6.650 4.251 1056 HB3 GLU 133 2HB GLU 133 -17.540 -7.995 3.592 1057 HG2 GLU 133 1HG GLU 133 -17.028 -8.135 6.478 1058 HG3 GLU 133 2HG GLU 133 -18.051 -6.797 5.957 1059 HA PRO 134 HA PRO 134 -12.001 -6.770 5.522 1060 HB2 PRO 134 1HB PRO 134 -11.850 -4.358 4.284 1061 HB3 PRO 134 2HB PRO 134 -11.354 -5.868 3.510 1062 HG2 PRO 134 1HG PRO 134 -13.914 -4.343 3.222 1063 HG3 PRO 134 2HG PRO 134 -12.928 -5.120 1.970 1064 HD2 PRO 134 1HD PRO 134 -15.170 -6.258 2.974 1065 HD3 PRO 134 2HD PRO 134 -13.780 -7.213 2.421 1066 H ILE 135 H ILE 135 -11.388 -4.516 6.517 1067 HA ILE 135 HA ILE 135 -13.607 -3.784 8.281 1068 HB ILE 135 HB ILE 135 -11.422 -4.506 9.266 1069 HG12 ILE 135 1HG1 ILE 135 -11.939 -1.644 10.016 1070 HG13 ILE 135 2HG1 ILE 135 -13.165 -2.875 10.303 1071 HG21 ILE 135 1HG2 ILE 135 -10.262 -1.842 8.678 1072 HG22 ILE 135 2HG2 ILE 135 -9.465 -3.391 8.952 1073 HG23 ILE 135 3HG2 ILE 135 -10.222 -3.052 7.396 1074 HD11 ILE 135 3HD1 ILE 135 -11.775 -4.043 11.803 1075 HD12 ILE 135 1HD1 ILE 135 -10.353 -3.117 11.321 1076 HD13 ILE 135 2HD1 ILE 135 -11.646 -2.338 12.234 1077 H ALA 136 H ALA 136 -11.517 -2.487 5.826 1078 HA ALA 136 HA ALA 136 -13.140 -0.096 5.679 1079 HB1 ALA 136 1HB ALA 136 -10.350 -0.061 6.693 1080 HB2 ALA 136 2HB ALA 136 -10.853 1.238 5.610 1081 HB3 ALA 136 3HB ALA 136 -11.724 0.960 7.118 1082 H SER 137 H SER 137 -13.023 0.938 3.683 1083 HA SER 137 HA SER 137 -11.070 0.454 1.718 1084 HB2 SER 137 1HB SER 137 -12.361 -1.814 1.930 1085 HB3 SER 137 2HB SER 137 -13.611 -0.977 1.009 1086 HG SER 137 HG SER 137 -12.451 -1.294 -0.700 1087 H GLU 138 H GLU 138 -11.437 1.632 -0.184 1088 HA GLU 138 HA GLU 138 -13.898 2.808 -0.889 1089 HB2 GLU 138 1HB GLU 138 -13.403 4.063 1.238 1090 HB3 GLU 138 2HB GLU 138 -11.985 4.729 0.441 1091 HG2 GLU 138 1HG GLU 138 -13.308 6.395 -0.189 1092 HG3 GLU 138 2HG GLU 138 -13.992 5.260 -1.351 1093 H GLU 139 H GLU 139 -13.795 3.739 -2.889 1094 HA GLU 139 HA GLU 139 -11.275 3.467 -4.294 1095 HB2 GLU 139 1HB GLU 139 -14.096 4.057 -5.164 1096 HB3 GLU 139 2HB GLU 139 -12.740 4.188 -6.276 1097 HG2 GLU 139 1HG GLU 139 -12.187 1.792 -5.637 1098 HG3 GLU 139 2HG GLU 139 -13.783 1.742 -4.891 1099 H ILE 140 H ILE 140 -10.241 5.124 -5.450 1100 HA ILE 140 HA ILE 140 -11.135 7.866 -5.025 1101 HB ILE 140 HB ILE 140 -8.330 7.047 -4.275 1102 HG12 ILE 140 1HG1 ILE 140 -10.676 7.682 -2.471 1103 HG13 ILE 140 2HG1 ILE 140 -9.932 6.100 -2.674 1104 HG21 ILE 140 1HG2 ILE 140 -9.844 9.625 -3.880 1105 HG22 ILE 140 2HG2 ILE 140 -8.193 9.303 -3.354 1106 HG23 ILE 140 3HG2 ILE 140 -8.578 9.342 -5.074 1107 HD11 ILE 140 3HD1 ILE 140 -7.780 7.232 -1.872 1108 HD12 ILE 140 1HD1 ILE 140 -8.837 8.532 -1.322 1109 HD13 ILE 140 2HD1 ILE 140 -9.042 6.899 -0.686 1110 H THR 141 H THR 141 -10.464 9.285 -6.590 1111 HA THR 141 HA THR 141 -9.114 8.074 -8.894 1112 HB THR 141 HB THR 141 -10.365 10.783 -9.032 1113 HG1 THR 141 1HG THR 141 -12.119 9.837 -8.217 1114 HG21 THR 141 3HG2 THR 141 -9.146 9.249 -10.876 1115 HG22 THR 141 1HG2 THR 141 -10.424 10.399 -11.267 1116 HG23 THR 141 2HG2 THR 141 -10.806 8.688 -11.071 1117 H ILE 142 H ILE 142 -6.955 8.291 -8.578 1118 HA ILE 142 HA ILE 142 -5.875 10.847 -7.681 1119 HB ILE 142 HB ILE 142 -4.445 8.259 -8.297 1120 HG12 ILE 142 1HG1 ILE 142 -5.264 9.503 -5.663 1121 HG13 ILE 142 2HG1 ILE 142 -5.940 8.043 -6.376 1122 HG21 ILE 142 1HG2 ILE 142 -2.538 9.378 -8.125 1123 HG22 ILE 142 2HG2 ILE 142 -3.449 10.882 -8.007 1124 HG23 ILE 142 3HG2 ILE 142 -3.015 9.997 -6.544 1125 HD11 ILE 142 3HD1 ILE 142 -3.208 8.458 -5.218 1126 HD12 ILE 142 1HD1 ILE 142 -4.454 7.312 -4.724 1127 HD13 ILE 142 2HD1 ILE 142 -3.598 7.082 -6.249 1128 H THR 143 H THR 143 -5.199 12.346 -9.053 1129 HA THR 143 HA THR 143 -4.199 11.530 -11.691 1130 HB THR 143 HB THR 143 -5.380 13.894 -12.318 1131 HG1 THR 143 1HG THR 143 -7.498 13.801 -11.402 1132 HG21 THR 143 3HG2 THR 143 -7.266 12.428 -13.237 1133 HG22 THR 143 1HG2 THR 143 -6.408 11.074 -12.503 1134 HG23 THR 143 2HG2 THR 143 -5.623 12.044 -13.750 Start of MODEL 19 1 H1 MET 1 H MET 1 -27.472 -3.812 20.401 2 HA MET 1 HA MET 1 -26.493 -4.796 18.180 3 HB2 MET 1 1HB MET 1 -25.090 -3.003 17.093 4 HB3 MET 1 2HB MET 1 -26.825 -2.852 16.851 5 HG2 MET 1 1HG MET 1 -25.787 -1.416 19.183 6 HG3 MET 1 2HG MET 1 -25.184 -0.844 17.630 7 HE1 MET 1 3HE MET 1 -26.436 1.115 19.247 8 HE2 MET 1 1HE MET 1 -28.122 1.546 18.955 9 HE3 MET 1 2HE MET 1 -27.725 0.269 20.106 10 H ASP 2 H ASP 2 -25.632 -5.825 20.112 11 HA ASP 2 HA ASP 2 -23.132 -4.568 21.038 12 HB2 ASP 2 1HB ASP 2 -24.988 -6.471 22.477 13 HB3 ASP 2 2HB ASP 2 -23.388 -6.030 23.069 14 H GLU 3 H GLU 3 -21.954 -5.453 19.284 15 HA GLU 3 HA GLU 3 -20.717 -7.914 19.810 16 HB2 GLU 3 1HB GLU 3 -22.735 -8.980 19.065 17 HB3 GLU 3 2HB GLU 3 -22.808 -7.962 17.633 18 HG2 GLU 3 1HG GLU 3 -20.786 -9.015 16.771 19 HG3 GLU 3 2HG GLU 3 -20.697 -10.028 18.211 20 H VAL 4 H VAL 4 -18.744 -7.737 18.985 21 HA VAL 4 HA VAL 4 -17.915 -5.606 17.391 22 HB VAL 4 HB VAL 4 -15.831 -7.003 17.001 23 HG11 VAL 4 1HG1 VAL 4 -16.008 -5.404 18.828 24 HG12 VAL 4 2HG1 VAL 4 -16.786 -6.624 19.838 25 HG13 VAL 4 3HG1 VAL 4 -15.107 -6.832 19.337 26 HG21 VAL 4 3HG2 VAL 4 -15.576 -9.075 18.145 27 HG22 VAL 4 1HG2 VAL 4 -17.143 -8.902 18.936 28 HG23 VAL 4 2HG2 VAL 4 -17.060 -9.187 17.197 29 H LEU 5 H LEU 5 -17.635 -5.305 15.240 30 HA LEU 5 HA LEU 5 -19.173 -6.740 13.406 31 HB2 LEU 5 1HB LEU 5 -16.796 -4.949 12.935 32 HB3 LEU 5 2HB LEU 5 -17.886 -5.517 11.672 33 HG LEU 5 HG LEU 5 -19.068 -4.034 13.962 34 HD11 LEU 5 1HD1 LEU 5 -17.532 -2.398 13.685 35 HD12 LEU 5 2HD1 LEU 5 -18.574 -1.979 12.326 36 HD13 LEU 5 3HD1 LEU 5 -17.106 -2.918 12.054 37 HD21 LEU 5 3HD2 LEU 5 -19.625 -3.727 11.032 38 HD22 LEU 5 1HD2 LEU 5 -20.691 -3.426 12.405 39 HD23 LEU 5 2HD2 LEU 5 -20.282 -5.081 11.953 40 H ALA 6 H ALA 6 -17.903 -7.445 11.222 41 HA ALA 6 HA ALA 6 -16.921 -9.984 11.665 42 HB1 ALA 6 1HB ALA 6 -17.719 -8.915 9.484 43 HB2 ALA 6 2HB ALA 6 -16.057 -8.352 9.299 44 HB3 ALA 6 3HB ALA 6 -16.398 -10.080 9.386 45 H THR 7 H THR 7 -15.229 -6.937 11.710 46 HA THR 7 HA THR 7 -12.926 -8.176 12.911 47 HB THR 7 HB THR 7 -11.437 -6.896 11.134 48 HG1 THR 7 1HG THR 7 -12.351 -6.990 9.073 49 HG21 THR 7 3HG2 THR 7 -12.598 -9.553 10.334 50 HG22 THR 7 1HG2 THR 7 -11.540 -9.382 11.734 51 HG23 THR 7 2HG2 THR 7 -10.948 -8.965 10.126 52 H SER 8 H SER 8 -13.891 -6.698 14.522 53 HA SER 8 HA SER 8 -13.370 -3.861 14.044 54 HB2 SER 8 1HB SER 8 -15.494 -4.970 15.213 55 HB3 SER 8 2HB SER 8 -14.468 -4.831 16.641 56 HG SER 8 HG SER 8 -15.280 -2.745 14.897 57 H ILE 9 H ILE 9 -11.194 -5.785 14.360 58 HA ILE 9 HA ILE 9 -10.081 -5.446 16.978 59 HB ILE 9 HB ILE 9 -8.752 -6.359 14.424 60 HG12 ILE 9 1HG1 ILE 9 -10.580 -7.834 15.058 61 HG13 ILE 9 2HG1 ILE 9 -9.043 -8.625 15.386 62 HG21 ILE 9 1HG2 ILE 9 -6.842 -6.253 15.550 63 HG22 ILE 9 2HG2 ILE 9 -7.684 -5.728 17.007 64 HG23 ILE 9 3HG2 ILE 9 -7.483 -7.449 16.677 65 HD11 ILE 9 3HD1 ILE 9 -9.736 -9.006 17.445 66 HD12 ILE 9 1HD1 ILE 9 -9.747 -7.267 17.736 67 HD13 ILE 9 2HD1 ILE 9 -11.206 -8.074 17.160 68 H GLY 10 H GLY 10 -8.629 -4.499 13.865 69 HA2 GLY 10 1HA GLY 10 -7.129 -2.397 15.123 70 HA3 GLY 10 2HA GLY 10 -7.165 -2.770 13.406 71 H THR 11 H THR 11 -7.090 -0.184 14.042 72 HA THR 11 HA THR 11 -9.865 0.749 13.695 73 HB THR 11 HB THR 11 -8.725 3.013 14.460 74 HG1 THR 11 1HG THR 11 -7.136 2.501 16.100 75 HG21 THR 11 3HG2 THR 11 -9.572 2.653 16.646 76 HG22 THR 11 1HG2 THR 11 -9.320 0.911 16.536 77 HG23 THR 11 2HG2 THR 11 -10.577 1.684 15.569 78 H TYR 12 H TYR 12 -10.348 1.976 11.958 79 HA TYR 12 HA TYR 12 -8.125 2.859 10.240 80 HB2 TYR 12 1HB TYR 12 -9.037 0.949 9.144 81 HB3 TYR 12 2HB TYR 12 -10.688 1.481 9.439 82 HD1 TYR 12 1HD TYR 12 -7.668 3.119 7.954 83 HD2 TYR 12 2HD TYR 12 -11.748 2.016 7.466 84 HE1 TYR 12 1HE TYR 12 -7.698 4.225 5.758 85 HE2 TYR 12 2HE TYR 12 -11.789 3.117 5.267 86 HH TYR 12 HH TYR 12 -10.311 5.144 4.198 87 H GLU 13 H GLU 13 -8.203 4.993 10.836 88 HA GLU 13 HA GLU 13 -10.078 6.652 9.554 89 HB2 GLU 13 1HB GLU 13 -11.251 7.607 11.459 90 HB3 GLU 13 2HB GLU 13 -11.564 5.880 11.359 91 HG2 GLU 13 1HG GLU 13 -9.770 5.556 13.081 92 HG3 GLU 13 2HG GLU 13 -9.742 7.307 13.275 93 H ASN 14 H ASN 14 -9.818 8.996 10.288 94 HA ASN 14 HA ASN 14 -8.420 10.780 10.490 95 HB2 ASN 14 1HB ASN 14 -6.946 9.225 12.607 96 HB3 ASN 14 2HB ASN 14 -7.223 10.962 12.516 97 HD21 ASN 14 1HD2 ASN 14 -7.816 8.968 14.619 98 HD22 ASN 14 2HD2 ASN 14 -9.502 9.148 14.952 99 H ARG 15 H ARG 15 -7.705 8.807 8.546 100 HA ARG 15 HA ARG 15 -5.991 8.161 7.190 101 HB2 ARG 15 1HB ARG 15 -4.992 10.785 8.278 102 HB3 ARG 15 2HB ARG 15 -4.081 9.872 7.082 103 HG2 ARG 15 1HG ARG 15 -6.853 10.192 6.310 104 HG3 ARG 15 2HG ARG 15 -6.054 11.742 6.586 105 HD2 ARG 15 1HD ARG 15 -4.158 10.800 5.140 106 HD3 ARG 15 2HD ARG 15 -5.319 9.564 4.655 107 HE ARG 15 HE ARG 15 -6.268 12.270 4.358 108 HH11 ARG 15 1HH1 ARG 15 -4.567 9.627 2.860 109 HH12 ARG 15 2HH1 ARG 15 -4.881 10.170 1.245 110 HH21 ARG 15 1HH2 ARG 15 -6.687 12.994 2.236 111 HH22 ARG 15 2HH2 ARG 15 -6.086 12.085 0.891 112 H THR 16 H THR 16 -5.903 6.564 9.236 113 HA THR 16 HA THR 16 -3.108 6.009 9.588 114 HB THR 16 HB THR 16 -4.762 6.700 12.024 115 HG1 THR 16 1HG THR 16 -2.351 7.837 11.007 116 HG21 THR 16 3HG2 THR 16 -2.572 4.882 11.718 117 HG22 THR 16 1HG2 THR 16 -3.457 5.313 13.180 118 HG23 THR 16 2HG2 THR 16 -2.054 6.261 12.687 119 H LEU 17 H LEU 17 -2.890 3.878 9.457 120 HA LEU 17 HA LEU 17 -5.197 2.188 10.148 121 HB2 LEU 17 1HB LEU 17 -4.014 2.298 7.784 122 HB3 LEU 17 2HB LEU 17 -2.909 1.159 8.551 123 HG LEU 17 HG LEU 17 -4.499 -0.115 7.339 124 HD11 LEU 17 1HD1 LEU 17 -5.452 -1.485 9.036 125 HD12 LEU 17 2HD1 LEU 17 -5.441 -0.159 10.198 126 HD13 LEU 17 3HD1 LEU 17 -3.920 -0.867 9.655 127 HD21 LEU 17 3HD2 LEU 17 -6.785 0.221 7.285 128 HD22 LEU 17 1HD2 LEU 17 -6.171 1.872 7.373 129 HD23 LEU 17 2HD2 LEU 17 -6.800 1.087 8.822 130 H LEU 18 H LEU 18 -5.015 1.291 12.089 131 HA LEU 18 HA LEU 18 -2.349 0.522 13.057 132 HB2 LEU 18 1HB LEU 18 -4.172 2.036 14.304 133 HB3 LEU 18 2HB LEU 18 -4.691 0.447 14.864 134 HG LEU 18 HG LEU 18 -1.890 1.511 15.198 135 HD11 LEU 18 1HD1 LEU 18 -3.350 2.946 16.442 136 HD12 LEU 18 2HD1 LEU 18 -2.551 1.850 17.568 137 HD13 LEU 18 3HD1 LEU 18 -4.226 1.564 17.099 138 HD21 LEU 18 3HD2 LEU 18 -2.190 -0.320 17.110 139 HD22 LEU 18 1HD2 LEU 18 -1.622 -0.723 15.490 140 HD23 LEU 18 2HD2 LEU 18 -3.312 -0.985 15.922 141 H VAL 19 H VAL 19 -1.909 -1.546 13.721 142 HA VAL 19 HA VAL 19 -3.996 -3.547 13.824 143 HB VAL 19 HB VAL 19 -2.642 -5.024 12.198 144 HG11 VAL 19 1HG1 VAL 19 -4.937 -3.854 11.897 145 HG12 VAL 19 2HG1 VAL 19 -4.052 -2.781 10.811 146 HG13 VAL 19 3HG1 VAL 19 -4.112 -4.513 10.485 147 HG21 VAL 19 3HG2 VAL 19 -1.026 -4.140 10.922 148 HG22 VAL 19 1HG2 VAL 19 -1.933 -2.653 10.645 149 HG23 VAL 19 2HG2 VAL 19 -0.985 -2.846 12.120 150 HA PRO 20 HA PRO 20 -1.292 -5.429 16.724 151 HB2 PRO 20 1HB PRO 20 -1.898 -8.057 16.413 152 HB3 PRO 20 2HB PRO 20 -2.992 -6.903 17.185 153 HG2 PRO 20 1HG PRO 20 -3.018 -7.954 14.382 154 HG3 PRO 20 2HG PRO 20 -4.375 -7.706 15.496 155 HD2 PRO 20 1HD PRO 20 -3.781 -5.961 13.512 156 HD3 PRO 20 2HD PRO 20 -4.485 -5.445 15.059 157 H ASP 21 H ASP 21 -0.938 -5.944 13.400 158 HA ASP 21 HA ASP 21 1.443 -7.619 13.719 159 HB2 ASP 21 1HB ASP 21 -0.312 -6.900 11.398 160 HB3 ASP 21 2HB ASP 21 1.335 -7.451 11.105 161 H GLY 22 H GLY 22 0.426 -4.471 12.461 162 HA2 GLY 22 1HA GLY 22 3.143 -3.484 12.860 163 HA3 GLY 22 2HA GLY 22 2.515 -3.404 11.220 164 H ARG 23 H ARG 23 2.654 -1.135 11.221 165 HA ARG 23 HA ARG 23 0.320 0.157 12.327 166 HB2 ARG 23 1HB ARG 23 1.726 0.456 14.223 167 HB3 ARG 23 2HB ARG 23 3.106 0.883 13.220 168 HG2 ARG 23 1HG ARG 23 2.544 3.032 13.205 169 HG3 ARG 23 2HG ARG 23 0.867 2.668 12.791 170 HD2 ARG 23 1HD ARG 23 0.222 2.502 15.013 171 HD3 ARG 23 2HD ARG 23 1.868 2.205 15.571 172 HE ARG 23 HE ARG 23 1.454 4.815 14.420 173 HH11 ARG 23 1HH1 ARG 23 1.351 2.889 17.318 174 HH12 ARG 23 2HH1 ARG 23 1.525 4.246 18.382 175 HH21 ARG 23 1HH2 ARG 23 1.684 6.609 15.810 176 HH22 ARG 23 2HH2 ARG 23 1.714 6.361 17.523 177 H LEU 24 H LEU 24 -0.317 0.678 10.273 178 HA LEU 24 HA LEU 24 1.529 2.223 8.601 179 HB2 LEU 24 1HB LEU 24 -1.027 0.755 8.040 180 HB3 LEU 24 2HB LEU 24 -0.361 1.918 6.895 181 HG LEU 24 HG LEU 24 1.732 0.147 7.531 182 HD11 LEU 24 1HD1 LEU 24 0.473 -1.601 8.317 183 HD12 LEU 24 2HD1 LEU 24 0.481 -1.950 6.588 184 HD13 LEU 24 3HD1 LEU 24 -0.926 -1.185 7.326 185 HD21 LEU 24 3HD2 LEU 24 -0.046 0.389 5.107 186 HD22 LEU 24 1HD2 LEU 24 1.485 -0.486 5.155 187 HD23 LEU 24 2HD2 LEU 24 1.459 1.260 5.409 188 H ALA 25 H ALA 25 0.509 4.042 7.337 189 HA ALA 25 HA ALA 25 -1.809 5.356 8.242 190 HB1 ALA 25 1HB ALA 25 -0.641 5.764 10.289 191 HB2 ALA 25 2HB ALA 25 0.778 6.354 9.422 192 HB3 ALA 25 3HB ALA 25 -0.721 7.282 9.394 193 H LEU 26 H LEU 26 -2.298 7.162 7.004 194 HA LEU 26 HA LEU 26 -0.698 7.462 4.608 195 HB2 LEU 26 1HB LEU 26 -3.275 8.823 5.376 196 HB3 LEU 26 2HB LEU 26 -2.540 8.798 3.775 197 HG LEU 26 HG LEU 26 -4.248 7.247 3.589 198 HD11 LEU 26 1HD1 LEU 26 -3.150 5.362 2.989 199 HD12 LEU 26 2HD1 LEU 26 -2.291 5.238 4.524 200 HD13 LEU 26 3HD1 LEU 26 -1.739 6.375 3.294 201 HD21 LEU 26 3HD2 LEU 26 -5.252 6.214 5.298 202 HD22 LEU 26 1HD2 LEU 26 -4.233 7.218 6.331 203 HD23 LEU 26 2HD2 LEU 26 -3.731 5.577 5.925 204 H THR 27 H THR 27 0.902 8.877 4.501 205 HA THR 27 HA THR 27 0.974 11.145 6.329 206 HB THR 27 HB THR 27 3.270 11.480 5.127 207 HG1 THR 27 1HG THR 27 4.045 9.376 4.382 208 HG21 THR 27 3HG2 THR 27 3.347 8.959 6.655 209 HG22 THR 27 1HG2 THR 27 2.538 10.309 7.451 210 HG23 THR 27 2HG2 THR 27 4.212 10.473 6.920 211 H ALA 28 H ALA 28 1.408 10.606 2.828 212 HA ALA 28 HA ALA 28 -0.267 12.678 2.003 213 HB1 ALA 28 1HB ALA 28 2.361 13.754 1.377 214 HB2 ALA 28 2HB ALA 28 0.925 14.563 2.004 215 HB3 ALA 28 3HB ALA 28 2.023 13.735 3.108 216 H LEU 29 H LEU 29 -0.853 11.347 0.351 217 HA LEU 29 HA LEU 29 0.876 9.836 -1.252 218 HB2 LEU 29 1HB LEU 29 -1.857 10.943 -1.873 219 HB3 LEU 29 2HB LEU 29 -1.023 9.729 -2.840 220 HG LEU 29 HG LEU 29 -1.997 9.403 -0.002 221 HD11 LEU 29 1HD1 LEU 29 -3.798 8.312 -0.809 222 HD12 LEU 29 2HD1 LEU 29 -2.923 7.663 -2.196 223 HD13 LEU 29 3HD1 LEU 29 -3.505 9.327 -2.221 224 HD21 LEU 29 3HD2 LEU 29 -0.002 7.964 -1.533 225 HD22 LEU 29 1HD2 LEU 29 -1.338 6.922 -1.044 226 HD23 LEU 29 2HD2 LEU 29 -0.435 7.826 0.172 227 H HIS 30 H HIS 30 1.920 10.219 -3.152 228 HA HIS 30 HA HIS 30 1.717 12.923 -4.293 229 HB2 HIS 30 1HB HIS 30 4.260 11.366 -3.784 230 HB3 HIS 30 2HB HIS 30 4.170 12.876 -4.686 231 HD1 HIS 30 1HD HIS 30 2.449 14.589 -2.891 232 HD2 HIS 30 2HD HIS 30 5.423 12.073 -1.446 233 HE1 HIS 30 1HE HIS 30 3.079 15.516 -0.639 234 H LYS 31 H LYS 31 2.073 13.095 -6.523 235 HA LYS 31 HA LYS 31 1.693 10.579 -7.971 236 HB2 LYS 31 1HB LYS 31 0.842 13.358 -8.359 237 HB3 LYS 31 2HB LYS 31 1.419 12.585 -9.829 238 HG2 LYS 31 1HG LYS 31 -0.586 11.221 -8.079 239 HG3 LYS 31 2HG LYS 31 -1.085 12.452 -9.241 240 HD2 LYS 31 1HD LYS 31 0.609 10.092 -10.021 241 HD3 LYS 31 2HD LYS 31 -1.155 10.031 -10.025 242 HE2 LYS 31 1HE LYS 31 -1.332 11.391 -11.833 243 HE3 LYS 31 2HE LYS 31 0.099 12.327 -11.405 244 HZ1 LYS 31 3HZ LYS 31 0.481 11.045 -13.402 245 HZ2 LYS 31 1HZ LYS 31 0.091 9.608 -12.599 246 HZ3 LYS 31 2HZ LYS 31 1.474 10.475 -12.156 247 H GLY 32 H GLY 32 2.760 10.396 -10.130 248 HA2 GLY 32 1HA GLY 32 5.263 11.853 -10.426 249 HA3 GLY 32 2HA GLY 32 5.415 10.134 -10.092 250 H LYS 33 H LYS 33 6.322 9.580 -12.044 251 HA LYS 33 HA LYS 33 4.464 9.317 -14.241 252 HB2 LYS 33 1HB LYS 33 6.776 11.199 -14.315 253 HB3 LYS 33 2HB LYS 33 6.420 10.272 -15.767 254 HG2 LYS 33 1HG LYS 33 4.098 11.145 -15.690 255 HG3 LYS 33 2HG LYS 33 4.573 12.167 -14.331 256 HD2 LYS 33 1HD LYS 33 6.468 12.940 -15.963 257 HD3 LYS 33 2HD LYS 33 5.372 12.330 -17.205 258 HE2 LYS 33 1HE LYS 33 4.230 14.100 -15.116 259 HE3 LYS 33 2HE LYS 33 5.285 14.841 -16.319 260 HZ1 LYS 33 3HZ LYS 33 3.619 13.249 -17.778 261 HZ2 LYS 33 1HZ LYS 33 3.490 14.927 -17.602 262 HZ3 LYS 33 2HZ LYS 33 2.600 13.900 -16.595 263 H ASP 34 H ASP 34 4.745 7.381 -15.129 264 HA ASP 34 HA ASP 34 7.137 5.858 -14.476 265 HB2 ASP 34 1HB ASP 34 4.450 5.152 -15.628 266 HB3 ASP 34 2HB ASP 34 5.792 4.014 -15.699 267 H TYR 35 H TYR 35 7.222 4.108 -16.635 268 HA TYR 35 HA TYR 35 8.961 5.377 -18.380 269 HB2 TYR 35 1HB TYR 35 8.616 3.386 -19.861 270 HB3 TYR 35 2HB TYR 35 8.980 2.981 -18.187 271 HD1 TYR 35 2HD TYR 35 6.073 3.477 -20.475 272 HD2 TYR 35 1HD TYR 35 7.641 1.445 -17.082 273 HE1 TYR 35 2HE TYR 35 4.045 2.089 -20.377 274 HE2 TYR 35 1HE TYR 35 5.618 0.051 -16.975 275 HH TYR 35 HH TYR 35 3.629 -0.381 -17.855 276 H GLN 36 H GLN 36 5.517 5.319 -18.373 277 HA GLN 36 HA GLN 36 5.360 6.283 -21.128 278 HB2 GLN 36 1HB GLN 36 3.574 4.885 -19.330 279 HB3 GLN 36 2HB GLN 36 2.796 6.309 -20.006 280 HG2 GLN 36 1HG GLN 36 3.995 5.192 -22.199 281 HG3 GLN 36 2HG GLN 36 3.500 3.781 -21.265 282 HE21 GLN 36 1HE2 GLN 36 1.524 3.079 -21.609 283 HE22 GLN 36 2HE2 GLN 36 0.208 4.004 -22.240 284 H GLY 37 H GLY 37 6.421 7.801 -18.711 285 HA2 GLY 37 1HA GLY 37 6.101 9.855 -17.657 286 HA3 GLY 37 2HA GLY 37 5.987 10.354 -19.338 287 H LYS 38 H LYS 38 3.807 8.617 -17.114 288 HA LYS 38 HA LYS 38 1.931 10.766 -17.016 289 HB2 LYS 38 1HB LYS 38 1.680 8.790 -19.137 290 HB3 LYS 38 2HB LYS 38 0.255 8.831 -18.106 291 HG2 LYS 38 1HG LYS 38 -0.460 10.626 -19.177 292 HG3 LYS 38 2HG LYS 38 0.978 11.509 -18.659 293 HD2 LYS 38 1HD LYS 38 0.748 11.556 -21.089 294 HD3 LYS 38 2HD LYS 38 2.197 10.670 -20.609 295 HE2 LYS 38 1HE LYS 38 1.491 8.905 -21.755 296 HE3 LYS 38 2HE LYS 38 0.056 8.818 -20.735 297 HZ1 LYS 38 3HZ LYS 38 -0.403 10.865 -22.530 298 HZ2 LYS 38 1HZ LYS 38 -1.122 9.334 -22.522 299 HZ3 LYS 38 2HZ LYS 38 0.268 9.611 -23.445 300 HA PRO 39 HA PRO 39 0.037 7.008 -14.690 301 HB2 PRO 39 1HB PRO 39 1.141 4.561 -15.094 302 HB3 PRO 39 2HB PRO 39 -0.161 5.205 -16.101 303 HG2 PRO 39 1HG PRO 39 2.785 5.131 -16.631 304 HG3 PRO 39 2HG PRO 39 1.441 4.778 -17.732 305 HD2 PRO 39 1HD PRO 39 2.758 7.144 -17.752 306 HD3 PRO 39 2HD PRO 39 1.033 7.007 -18.151 307 H MET 40 H MET 40 0.590 7.071 -12.610 308 HA MET 40 HA MET 40 2.747 5.791 -11.437 309 HB2 MET 40 1HB MET 40 3.617 8.089 -12.763 310 HB3 MET 40 2HB MET 40 3.534 8.560 -11.071 311 HG2 MET 40 1HG MET 40 4.848 5.985 -11.739 312 HG3 MET 40 2HG MET 40 5.698 7.481 -12.121 313 HE1 MET 40 3HE MET 40 6.438 5.288 -8.671 314 HE2 MET 40 1HE MET 40 4.683 5.149 -8.788 315 HE3 MET 40 2HE MET 40 5.688 4.835 -10.203 316 H PHE 41 H PHE 41 3.016 6.341 -9.140 317 HA PHE 41 HA PHE 41 1.546 8.248 -7.762 318 HB2 PHE 41 1HB PHE 41 -0.541 7.423 -8.284 319 HB3 PHE 41 2HB PHE 41 0.033 5.764 -8.426 320 HD1 PHE 41 1HD PHE 41 0.059 8.313 -5.697 321 HD2 PHE 41 2HD PHE 41 -0.999 4.378 -6.927 322 HE1 PHE 41 1HE PHE 41 -0.780 7.834 -3.434 323 HE2 PHE 41 2HE PHE 41 -1.841 3.894 -4.667 324 HZ PHE 41 HZ PHE 41 -1.733 5.623 -2.917 325 H TYR 42 H TYR 42 2.778 8.390 -6.018 326 HA TYR 42 HA TYR 42 4.019 5.984 -4.920 327 HB2 TYR 42 1HB TYR 42 4.509 8.927 -4.461 328 HB3 TYR 42 2HB TYR 42 5.304 7.666 -3.525 329 HD1 TYR 42 2HD TYR 42 6.380 5.751 -5.106 330 HD2 TYR 42 1HD TYR 42 5.706 9.802 -6.219 331 HE1 TYR 42 2HE TYR 42 8.120 5.560 -6.833 332 HE2 TYR 42 1HE TYR 42 7.443 9.621 -7.951 333 HH TYR 42 HH TYR 42 8.564 7.918 -9.263 334 H VAL 43 H VAL 43 3.088 4.959 -3.291 335 HA VAL 43 HA VAL 43 0.981 6.202 -1.755 336 HB VAL 43 HB VAL 43 2.180 3.467 -1.323 337 HG11 VAL 43 1HG1 VAL 43 0.249 2.950 -0.126 338 HG12 VAL 43 2HG1 VAL 43 0.624 4.595 0.391 339 HG13 VAL 43 3HG1 VAL 43 -0.648 4.311 -0.798 340 HG21 VAL 43 3HG2 VAL 43 0.787 4.430 -3.604 341 HG22 VAL 43 1HG2 VAL 43 1.320 2.787 -3.252 342 HG23 VAL 43 2HG2 VAL 43 -0.278 3.326 -2.735 343 H LEU 44 H LEU 44 2.256 7.852 -0.716 344 HA LEU 44 HA LEU 44 4.422 7.247 1.006 345 HB2 LEU 44 1HB LEU 44 2.583 9.602 0.736 346 HB3 LEU 44 2HB LEU 44 3.815 9.534 1.995 347 HG LEU 44 HG LEU 44 4.609 10.850 0.135 348 HD11 LEU 44 1HD1 LEU 44 6.070 8.249 -0.101 349 HD12 LEU 44 2HD1 LEU 44 6.100 9.172 1.401 350 HD13 LEU 44 3HD1 LEU 44 6.710 9.893 -0.088 351 HD21 LEU 44 3HD2 LEU 44 4.580 8.493 -1.687 352 HD22 LEU 44 1HD2 LEU 44 4.586 10.215 -2.068 353 HD23 LEU 44 2HD2 LEU 44 3.107 9.444 -1.493 354 H PHE 45 H PHE 45 3.896 5.607 2.417 355 HA PHE 45 HA PHE 45 1.844 6.265 4.428 356 HB2 PHE 45 1HB PHE 45 1.548 3.826 4.755 357 HB3 PHE 45 2HB PHE 45 1.134 4.342 3.123 358 HD1 PHE 45 2HD PHE 45 3.980 2.958 5.084 359 HD2 PHE 45 1HD PHE 45 2.001 3.195 1.323 360 HE1 PHE 45 2HE PHE 45 5.530 1.281 4.167 361 HE2 PHE 45 1HE PHE 45 3.547 1.517 0.401 362 HZ PHE 45 HZ PHE 45 5.315 0.559 1.823 363 H GLU 46 H GLU 46 2.284 5.675 6.601 364 HA GLU 46 HA GLU 46 5.151 5.616 7.195 365 HB2 GLU 46 1HB GLU 46 3.636 7.397 8.165 366 HB3 GLU 46 2HB GLU 46 2.889 6.127 9.125 367 HG2 GLU 46 1HG GLU 46 5.658 5.881 9.513 368 HG3 GLU 46 2HG GLU 46 5.286 7.600 9.622 369 H LEU 47 H LEU 47 5.156 3.298 6.588 370 HA LEU 47 HA LEU 47 3.806 1.437 8.320 371 HB2 LEU 47 1HB LEU 47 4.162 0.782 6.055 372 HB3 LEU 47 2HB LEU 47 5.890 1.107 6.173 373 HG LEU 47 HG LEU 47 5.018 -1.343 6.197 374 HD11 LEU 47 1HD1 LEU 47 7.332 -0.155 6.951 375 HD12 LEU 47 2HD1 LEU 47 7.062 -1.898 6.939 376 HD13 LEU 47 3HD1 LEU 47 6.880 -0.989 8.439 377 HD21 LEU 47 3HD2 LEU 47 3.497 -0.568 8.229 378 HD22 LEU 47 1HD2 LEU 47 4.939 -1.010 9.144 379 HD23 LEU 47 2HD2 LEU 47 4.147 -2.204 8.115 380 H THR 48 H THR 48 4.457 1.065 10.325 381 HA THR 48 HA THR 48 7.299 1.372 10.992 382 HB THR 48 HB THR 48 5.080 1.024 12.996 383 HG1 THR 48 1HG THR 48 5.783 3.280 11.481 384 HG21 THR 48 3HG2 THR 48 7.902 2.036 13.044 385 HG22 THR 48 1HG2 THR 48 7.139 0.821 14.069 386 HG23 THR 48 2HG2 THR 48 6.747 2.527 14.283 387 H ASN 49 H ASN 49 8.513 -0.376 11.255 388 HA ASN 49 HA ASN 49 7.398 -3.002 11.163 389 HB2 ASN 49 1HB ASN 49 9.685 -2.212 10.275 390 HB3 ASN 49 2HB ASN 49 10.237 -2.369 11.940 391 HD21 ASN 49 1HD2 ASN 49 11.477 -4.112 11.959 392 HD22 ASN 49 2HD2 ASN 49 11.026 -5.672 11.367 393 H THR 50 H THR 50 5.998 -2.792 13.058 394 HA THR 50 HA THR 50 6.899 -2.413 15.670 395 HB THR 50 HB THR 50 4.860 -3.426 16.422 396 HG1 THR 50 1HG THR 50 4.737 -4.553 13.807 397 HG21 THR 50 3HG2 THR 50 3.211 -2.207 15.151 398 HG22 THR 50 1HG2 THR 50 4.290 -2.120 13.760 399 HG23 THR 50 2HG2 THR 50 4.686 -1.245 15.239 400 H THR 51 H THR 51 7.316 -5.081 13.549 401 HA THR 51 HA THR 51 7.577 -7.197 15.366 402 HB THR 51 HB THR 51 8.749 -8.391 13.655 403 HG1 THR 51 1HG THR 51 9.896 -7.415 12.098 404 HG21 THR 51 3HG2 THR 51 6.367 -7.955 13.221 405 HG22 THR 51 1HG2 THR 51 7.292 -8.075 11.725 406 HG23 THR 51 2HG2 THR 51 6.803 -6.494 12.335 407 H GLU 52 H GLU 52 10.047 -8.307 15.090 408 HA GLU 52 HA GLU 52 11.917 -6.338 16.214 409 HB2 GLU 52 1HB GLU 52 11.222 -9.043 17.359 410 HB3 GLU 52 2HB GLU 52 12.656 -8.141 17.826 411 HG2 GLU 52 1HG GLU 52 10.833 -6.246 18.242 412 HG3 GLU 52 2HG GLU 52 9.815 -7.665 18.483 413 H LYS 53 H LYS 53 11.579 -7.778 13.591 414 HA LYS 53 HA LYS 53 14.223 -9.079 13.513 415 HB2 LYS 53 1HB LYS 53 11.853 -9.576 11.702 416 HB3 LYS 53 2HB LYS 53 13.416 -10.375 11.593 417 HG2 LYS 53 1HG LYS 53 12.629 -10.803 14.211 418 HG3 LYS 53 2HG LYS 53 11.141 -10.973 13.276 419 HD2 LYS 53 1HD LYS 53 12.312 -12.559 11.779 420 HD3 LYS 53 2HD LYS 53 13.740 -12.436 12.810 421 HE2 LYS 53 1HE LYS 53 11.246 -13.066 14.226 422 HE3 LYS 53 2HE LYS 53 11.775 -14.300 13.083 423 HZ1 LYS 53 3HZ LYS 53 12.647 -14.556 15.389 424 HZ2 LYS 53 1HZ LYS 53 13.543 -13.139 15.162 425 HZ3 LYS 53 2HZ LYS 53 13.843 -14.494 14.195 426 H THR 54 H THR 54 15.426 -8.822 11.500 427 HA THR 54 HA THR 54 15.015 -6.140 10.379 428 HB THR 54 HB THR 54 17.513 -7.702 9.882 429 HG1 THR 54 1HG THR 54 17.230 -7.918 12.118 430 HG21 THR 54 3HG2 THR 54 16.755 -4.811 10.186 431 HG22 THR 54 1HG2 THR 54 17.488 -5.620 8.802 432 HG23 THR 54 2HG2 THR 54 18.436 -5.337 10.262 433 H GLN 55 H GLN 55 13.651 -8.692 9.543 434 HA GLN 55 HA GLN 55 14.640 -9.589 7.083 435 HB2 GLN 55 1HB GLN 55 11.729 -9.411 7.866 436 HB3 GLN 55 2HB GLN 55 12.449 -10.513 6.700 437 HG2 GLN 55 1HG GLN 55 13.274 -11.897 8.300 438 HG3 GLN 55 2HG GLN 55 13.466 -10.602 9.480 439 HE21 GLN 55 1HE2 GLN 55 11.074 -9.528 9.766 440 HE22 GLN 55 2HE2 GLN 55 9.909 -10.687 10.299 441 H ASN 56 H ASN 56 13.117 -9.305 5.033 442 HA ASN 56 HA ASN 56 13.627 -6.795 3.974 443 HB2 ASN 56 1HB ASN 56 12.957 -9.036 2.816 444 HB3 ASN 56 2HB ASN 56 11.312 -8.430 2.985 445 HD21 ASN 56 1HD2 ASN 56 14.365 -8.039 1.409 446 HD22 ASN 56 2HD2 ASN 56 13.845 -6.891 0.228 447 H ILE 57 H ILE 57 11.774 -5.414 2.959 448 HA ILE 57 HA ILE 57 10.058 -4.593 5.187 449 HB ILE 57 HB ILE 57 10.458 -3.032 2.651 450 HG12 ILE 57 1HG1 ILE 57 12.211 -3.016 5.117 451 HG13 ILE 57 2HG1 ILE 57 12.690 -3.519 3.499 452 HG21 ILE 57 1HG2 ILE 57 8.988 -2.659 5.048 453 HG22 ILE 57 2HG2 ILE 57 10.271 -1.451 4.999 454 HG23 ILE 57 3HG2 ILE 57 9.127 -1.576 3.663 455 HD11 ILE 57 3HD1 ILE 57 13.499 -1.440 3.366 456 HD12 ILE 57 1HD1 ILE 57 11.827 -1.008 3.010 457 HD13 ILE 57 2HD1 ILE 57 12.452 -0.837 4.651 458 H GLN 58 H GLN 58 9.826 -4.877 1.636 459 HA GLN 58 HA GLN 58 7.112 -4.599 1.343 460 HB2 GLN 58 1HB GLN 58 8.404 -4.716 -0.625 461 HB3 GLN 58 2HB GLN 58 9.106 -6.264 -0.173 462 HG2 GLN 58 1HG GLN 58 6.947 -7.348 -0.506 463 HG3 GLN 58 2HG GLN 58 6.236 -5.797 -0.948 464 HE21 GLN 58 1HE2 GLN 58 7.921 -8.528 -2.027 465 HE22 GLN 58 2HE2 GLN 58 8.201 -8.015 -3.652 466 H LEU 59 H LEU 59 8.873 -7.303 2.624 467 HA LEU 59 HA LEU 59 7.098 -9.390 2.326 468 HB2 LEU 59 1HB LEU 59 9.385 -8.837 3.876 469 HB3 LEU 59 2HB LEU 59 8.155 -9.436 4.987 470 HG LEU 59 HG LEU 59 9.479 -11.289 4.300 471 HD11 LEU 59 1HD1 LEU 59 7.113 -11.621 2.520 472 HD12 LEU 59 2HD1 LEU 59 6.863 -11.369 4.247 473 HD13 LEU 59 3HD1 LEU 59 7.816 -12.743 3.686 474 HD21 LEU 59 3HD2 LEU 59 10.486 -11.403 2.326 475 HD22 LEU 59 1HD2 LEU 59 9.729 -9.870 1.891 476 HD23 LEU 59 2HD2 LEU 59 8.934 -11.392 1.487 477 H MET 60 H MET 60 6.845 -6.586 4.354 478 HA MET 60 HA MET 60 4.586 -7.709 5.824 479 HB2 MET 60 1HB MET 60 5.731 -4.934 6.104 480 HB3 MET 60 2HB MET 60 4.735 -5.812 7.257 481 HG2 MET 60 1HG MET 60 7.004 -7.401 6.806 482 HG3 MET 60 2HG MET 60 7.579 -5.747 6.999 483 HE1 MET 60 3HE MET 60 4.903 -5.044 9.750 484 HE2 MET 60 1HE MET 60 6.528 -4.489 10.151 485 HE3 MET 60 2HE MET 60 5.924 -4.328 8.502 486 H ILE 61 H ILE 61 5.304 -4.851 3.821 487 HA ILE 61 HA ILE 61 2.777 -3.765 3.661 488 HB ILE 61 HB ILE 61 4.899 -3.867 1.517 489 HG12 ILE 61 1HG1 ILE 61 5.620 -2.764 3.574 490 HG13 ILE 61 2HG1 ILE 61 5.399 -1.577 2.293 491 HG21 ILE 61 1HG2 ILE 61 3.577 -1.678 0.863 492 HG22 ILE 61 2HG2 ILE 61 3.102 -3.260 0.246 493 HG23 ILE 61 3HG2 ILE 61 2.237 -2.549 1.609 494 HD11 ILE 61 3HD1 ILE 61 3.207 -1.000 3.242 495 HD12 ILE 61 1HD1 ILE 61 3.497 -2.143 4.553 496 HD13 ILE 61 2HD1 ILE 61 4.534 -0.728 4.372 497 H GLN 62 H GLN 62 4.209 -6.211 1.507 498 HA GLN 62 HA GLN 62 2.035 -6.534 -0.204 499 HB2 GLN 62 1HB GLN 62 4.439 -8.076 0.496 500 HB3 GLN 62 2HB GLN 62 3.107 -9.048 -0.114 501 HG2 GLN 62 1HG GLN 62 3.022 -7.275 -2.006 502 HG3 GLN 62 2HG GLN 62 4.663 -6.902 -1.481 503 HE21 GLN 62 1HE2 GLN 62 5.910 -9.100 -1.031 504 HE22 GLN 62 2HE2 GLN 62 5.871 -10.199 -2.363 505 H SER 63 H SER 63 2.493 -7.587 3.051 506 HA SER 63 HA SER 63 0.227 -9.432 2.892 507 HB2 SER 63 1HB SER 63 2.484 -9.031 4.787 508 HB3 SER 63 2HB SER 63 0.967 -9.623 5.462 509 HG SER 63 HG SER 63 2.489 -11.262 4.689 510 H PHE 64 H PHE 64 0.828 -6.215 3.539 511 HA PHE 64 HA PHE 64 -1.411 -5.977 5.421 512 HB2 PHE 64 1HB PHE 64 0.926 -4.239 4.745 513 HB3 PHE 64 2HB PHE 64 -0.535 -3.489 5.379 514 HD1 PHE 64 1HD PHE 64 -1.494 -5.287 7.380 515 HD2 PHE 64 2HD PHE 64 2.523 -4.289 6.390 516 HE1 PHE 64 1HE PHE 64 -0.793 -5.854 9.669 517 HE2 PHE 64 2HE PHE 64 3.231 -4.855 8.678 518 HZ PHE 64 HZ PHE 64 1.572 -5.640 10.320 519 H MET 65 H MET 65 -0.220 -3.790 2.887 520 HA MET 65 HA MET 65 -2.972 -3.262 2.094 521 HB2 MET 65 1HB MET 65 -0.902 -1.579 2.416 522 HB3 MET 65 2HB MET 65 -0.716 -1.930 0.703 523 HG2 MET 65 1HG MET 65 -3.464 -1.344 1.396 524 HG3 MET 65 2HG MET 65 -2.372 -0.033 1.835 525 HE1 MET 65 3HE MET 65 -0.635 1.004 0.176 526 HE2 MET 65 1HE MET 65 -0.082 -0.507 -0.546 527 HE3 MET 65 2HE MET 65 -0.666 0.800 -1.576 528 H GLU 66 H GLU 66 -3.867 -3.840 0.184 529 HA GLU 66 HA GLU 66 -2.147 -5.162 -1.801 530 HB2 GLU 66 1HB GLU 66 -3.170 -6.989 -0.708 531 HB3 GLU 66 2HB GLU 66 -4.722 -6.168 -0.614 532 HG2 GLU 66 1HG GLU 66 -4.769 -7.938 -2.269 533 HG3 GLU 66 2HG GLU 66 -4.985 -6.360 -3.026 534 H VAL 67 H VAL 67 -2.409 -4.416 -3.802 535 HA VAL 67 HA VAL 67 -4.905 -2.990 -4.452 536 HB VAL 67 HB VAL 67 -2.161 -2.248 -5.472 537 HG11 VAL 67 1HG1 VAL 67 -4.856 -0.919 -5.731 538 HG12 VAL 67 2HG1 VAL 67 -3.326 -0.201 -6.239 539 HG13 VAL 67 3HG1 VAL 67 -3.916 -1.669 -7.021 540 HG21 VAL 67 3HG2 VAL 67 -2.907 -0.128 -3.999 541 HG22 VAL 67 1HG2 VAL 67 -3.653 -1.422 -3.063 542 HG23 VAL 67 2HG2 VAL 67 -1.917 -1.445 -3.371 543 H SER 68 H SER 68 -5.657 -3.153 -6.582 544 HA SER 68 HA SER 68 -4.253 -4.981 -8.381 545 HB2 SER 68 1HB SER 68 -7.054 -5.389 -7.331 546 HB3 SER 68 2HB SER 68 -6.481 -6.146 -8.818 547 HG SER 68 HG SER 68 -6.106 -6.947 -6.313 548 H GLN 69 H GLN 69 -6.965 -2.771 -7.876 549 HA GLN 69 HA GLN 69 -7.886 -1.176 -9.214 550 HB2 GLN 69 1HB GLN 69 -5.190 -1.463 -10.187 551 HB3 GLN 69 2HB GLN 69 -6.281 -1.132 -11.526 552 HG2 GLN 69 1HG GLN 69 -7.173 0.782 -10.086 553 HG3 GLN 69 2HG GLN 69 -5.728 0.541 -9.105 554 HE21 GLN 69 1HE2 GLN 69 -6.820 2.609 -11.149 555 HE22 GLN 69 2HE2 GLN 69 -5.431 2.957 -12.114 556 H THR 70 H THR 70 -9.639 -1.374 -10.448 557 HA THR 70 HA THR 70 -10.251 -3.817 -11.748 558 HB THR 70 HB THR 70 -11.747 -1.278 -12.314 559 HG1 THR 70 1HG THR 70 -12.826 -1.581 -10.314 560 HG21 THR 70 3HG2 THR 70 -12.977 -2.857 -13.347 561 HG22 THR 70 1HG2 THR 70 -13.550 -3.234 -11.724 562 HG23 THR 70 2HG2 THR 70 -12.236 -4.171 -12.435 563 H VAL 71 H VAL 71 -10.649 -4.203 -13.973 564 HA VAL 71 HA VAL 71 -10.037 -2.341 -16.015 565 HB VAL 71 HB VAL 71 -7.738 -2.634 -15.315 566 HG11 VAL 71 1HG1 VAL 71 -6.635 -4.766 -15.255 567 HG12 VAL 71 2HG1 VAL 71 -8.071 -4.848 -14.233 568 HG13 VAL 71 3HG1 VAL 71 -8.085 -5.583 -15.836 569 HG21 VAL 71 3HG2 VAL 71 -8.216 -4.207 -17.844 570 HG22 VAL 71 1HG2 VAL 71 -8.268 -2.447 -17.733 571 HG23 VAL 71 2HG2 VAL 71 -6.762 -3.307 -17.410 572 H HIS 72 H HIS 72 -11.156 -2.976 -17.734 573 HA HIS 72 HA HIS 72 -12.236 -4.273 -19.261 574 HB2 HIS 72 1HB HIS 72 -9.921 -5.825 -18.491 575 HB3 HIS 72 2HB HIS 72 -11.281 -6.881 -18.863 576 HD1 HIS 72 1HD HIS 72 -11.787 -7.265 -21.282 577 HD2 HIS 72 2HD HIS 72 -9.202 -4.066 -20.691 578 HE1 HIS 72 1HE HIS 72 -11.019 -6.587 -23.579 579 H GLY 73 H GLY 73 -12.842 -4.241 -16.203 580 HA2 GLY 73 1HA GLY 73 -14.977 -4.812 -15.318 581 HA3 GLY 73 2HA GLY 73 -15.034 -6.180 -16.420 582 H LYS 74 H LYS 74 -12.018 -5.871 -14.942 583 HA LYS 74 HA LYS 74 -12.643 -7.328 -12.538 584 HB2 LYS 74 1HB LYS 74 -11.603 -8.691 -14.966 585 HB3 LYS 74 2HB LYS 74 -10.884 -9.143 -13.425 586 HG2 LYS 74 1HG LYS 74 -13.707 -9.097 -13.111 587 HG3 LYS 74 2HG LYS 74 -13.317 -10.024 -14.562 588 HD2 LYS 74 1HD LYS 74 -11.786 -11.416 -13.286 589 HD3 LYS 74 2HD LYS 74 -12.095 -10.459 -11.836 590 HE2 LYS 74 1HE LYS 74 -14.271 -11.267 -11.622 591 HE3 LYS 74 2HE LYS 74 -14.338 -11.802 -13.300 592 HZ1 LYS 74 3HZ LYS 74 -12.506 -13.020 -11.319 593 HZ2 LYS 74 1HZ LYS 74 -12.957 -13.625 -12.833 594 HZ3 LYS 74 2HZ LYS 74 -14.079 -13.590 -11.568 595 H ALA 75 H ALA 75 -10.942 -7.367 -11.068 596 HA ALA 75 HA ALA 75 -9.044 -5.305 -11.277 597 HB1 ALA 75 1HB ALA 75 -8.322 -7.381 -9.371 598 HB2 ALA 75 2HB ALA 75 -8.733 -5.687 -9.101 599 HB3 ALA 75 3HB ALA 75 -10.012 -6.892 -9.248 600 H GLN 76 H GLN 76 -6.641 -5.696 -10.911 601 HA GLN 76 HA GLN 76 -5.658 -7.998 -12.440 602 HB2 GLN 76 1HB GLN 76 -4.190 -6.621 -13.768 603 HB3 GLN 76 2HB GLN 76 -5.840 -6.043 -13.961 604 HG2 GLN 76 1HG GLN 76 -5.448 -4.117 -12.744 605 HG3 GLN 76 2HG GLN 76 -4.038 -4.796 -11.933 606 HE21 GLN 76 1HE2 GLN 76 -4.066 -2.290 -13.163 607 HE22 GLN 76 2HE2 GLN 76 -2.984 -2.327 -14.509 608 H ASN 77 H ASN 77 -2.982 -7.384 -12.470 609 HA ASN 77 HA ASN 77 -2.335 -7.588 -9.622 610 HB2 ASN 77 1HB ASN 77 -0.149 -8.474 -10.428 611 HB3 ASN 77 2HB ASN 77 -1.528 -9.422 -10.980 612 HD21 ASN 77 1HD2 ASN 77 -2.299 -9.013 -13.163 613 HD22 ASN 77 2HD2 ASN 77 -1.161 -8.554 -14.380 614 H LEU 78 H LEU 78 -2.352 -5.414 -9.033 615 HA LEU 78 HA LEU 78 -0.891 -3.422 -10.462 616 HB2 LEU 78 1HB LEU 78 -2.454 -3.581 -7.970 617 HB3 LEU 78 2HB LEU 78 -1.193 -2.350 -8.000 618 HG LEU 78 HG LEU 78 -3.796 -2.119 -8.959 619 HD11 LEU 78 1HD1 LEU 78 -2.380 -0.327 -8.098 620 HD12 LEU 78 2HD1 LEU 78 -3.058 0.092 -9.671 621 HD13 LEU 78 3HD1 LEU 78 -1.375 -0.419 -9.545 622 HD21 LEU 78 3HD2 LEU 78 -1.909 -2.040 -11.302 623 HD22 LEU 78 1HD2 LEU 78 -3.661 -1.839 -11.304 624 HD23 LEU 78 2HD2 LEU 78 -2.956 -3.418 -10.955 625 H GLN 79 H GLN 79 1.161 -4.557 -10.631 626 HA GLN 79 HA GLN 79 2.713 -4.937 -8.223 627 HB2 GLN 79 1HB GLN 79 4.418 -5.816 -9.642 628 HB3 GLN 79 2HB GLN 79 2.882 -6.425 -10.244 629 HG2 GLN 79 1HG GLN 79 2.903 -4.632 -11.956 630 HG3 GLN 79 2HG GLN 79 4.512 -4.176 -11.398 631 HE21 GLN 79 1HE2 GLN 79 2.618 -6.628 -12.995 632 HE22 GLN 79 2HE2 GLN 79 3.946 -7.471 -13.708 633 H TYR 80 H TYR 80 5.226 -4.138 -8.913 634 HA TYR 80 HA TYR 80 5.336 -1.499 -8.109 635 HB2 TYR 80 1HB TYR 80 7.259 -3.017 -8.011 636 HB3 TYR 80 2HB TYR 80 7.370 -3.004 -9.768 637 HD1 TYR 80 2HD TYR 80 8.160 -0.999 -10.948 638 HD2 TYR 80 1HD TYR 80 8.075 -1.173 -6.698 639 HE1 TYR 80 2HE TYR 80 9.652 0.954 -10.844 640 HE2 TYR 80 1HE TYR 80 9.566 0.779 -6.582 641 HH TYR 80 HH TYR 80 11.250 1.968 -9.274 642 H ALA 81 H ALA 81 5.701 0.465 -9.158 643 HA ALA 81 HA ALA 81 4.641 0.573 -11.881 644 HB1 ALA 81 1HB ALA 81 3.728 2.001 -9.995 645 HB2 ALA 81 2HB ALA 81 5.227 2.924 -10.102 646 HB3 ALA 81 3HB ALA 81 4.141 2.842 -11.489 647 H VAL 82 H VAL 82 6.547 -0.204 -12.929 648 HA VAL 82 HA VAL 82 9.123 0.657 -12.725 649 HB VAL 82 HB VAL 82 8.812 -1.031 -14.286 650 HG11 VAL 82 1HG1 VAL 82 6.622 0.692 -15.388 651 HG12 VAL 82 2HG1 VAL 82 7.310 -0.625 -16.339 652 HG13 VAL 82 3HG1 VAL 82 6.539 -0.964 -14.789 653 HG21 VAL 82 3HG2 VAL 82 9.190 1.450 -15.962 654 HG22 VAL 82 1HG2 VAL 82 10.456 0.610 -15.066 655 HG23 VAL 82 2HG2 VAL 82 9.650 -0.191 -16.415 656 H LEU 83 H LEU 83 10.374 2.324 -13.540 657 HA LEU 83 HA LEU 83 9.135 4.464 -15.050 658 HB2 LEU 83 1HB LEU 83 9.979 6.158 -13.357 659 HB3 LEU 83 2HB LEU 83 8.515 5.267 -12.947 660 HG LEU 83 HG LEU 83 10.026 3.734 -11.580 661 HD11 LEU 83 1HD1 LEU 83 11.979 5.560 -12.659 662 HD12 LEU 83 2HD1 LEU 83 12.214 4.052 -11.776 663 HD13 LEU 83 3HD1 LEU 83 12.005 5.566 -10.896 664 HD21 LEU 83 3HD2 LEU 83 9.185 6.503 -10.982 665 HD22 LEU 83 1HD2 LEU 83 10.307 5.755 -9.845 666 HD23 LEU 83 2HD2 LEU 83 8.757 4.987 -10.188 667 H THR 84 H THR 84 10.644 5.919 -15.971 668 HA THR 84 HA THR 84 13.243 4.733 -16.402 669 HB THR 84 HB THR 84 13.579 6.572 -18.024 670 HG1 THR 84 1HG THR 84 12.019 8.116 -18.298 671 HG21 THR 84 3HG2 THR 84 11.459 5.991 -19.436 672 HG22 THR 84 1HG2 THR 84 11.139 4.844 -18.135 673 HG23 THR 84 2HG2 THR 84 12.635 4.731 -19.062 674 H ASP 85 H ASP 85 11.901 7.532 -14.766 675 HA ASP 85 HA ASP 85 14.251 7.834 -13.171 676 HB2 ASP 85 1HB ASP 85 14.376 10.368 -13.952 677 HB3 ASP 85 2HB ASP 85 15.298 9.108 -14.768 678 H SER 86 H SER 86 13.729 8.697 -11.249 679 HA SER 86 HA SER 86 11.565 10.578 -10.959 680 HB2 SER 86 1HB SER 86 10.791 7.965 -10.913 681 HB3 SER 86 2HB SER 86 11.133 8.244 -9.206 682 HG SER 86 HG SER 86 9.243 9.495 -10.871 683 HA PRO 87 HA PRO 87 14.079 11.841 -7.581 684 HB2 PRO 87 1HB PRO 87 12.242 13.218 -6.132 685 HB3 PRO 87 2HB PRO 87 12.920 13.824 -7.647 686 HG2 PRO 87 1HG PRO 87 10.300 12.461 -7.156 687 HG3 PRO 87 2HG PRO 87 10.654 13.873 -8.169 688 HD2 PRO 87 1HD PRO 87 10.339 11.386 -9.194 689 HD3 PRO 87 2HD PRO 87 11.436 12.583 -9.912 690 H PHE 88 H PHE 88 11.139 10.039 -7.037 691 HA PHE 88 HA PHE 88 11.883 9.451 -4.276 692 HB2 PHE 88 1HB PHE 88 9.419 9.021 -5.928 693 HB3 PHE 88 2HB PHE 88 9.671 8.060 -4.474 694 HD1 PHE 88 1HD PHE 88 9.275 11.498 -5.754 695 HD2 PHE 88 2HD PHE 88 9.323 8.974 -2.327 696 HE1 PHE 88 1HE PHE 88 8.374 13.337 -4.391 697 HE2 PHE 88 2HE PHE 88 8.421 10.809 -0.959 698 HZ PHE 88 HZ PHE 88 7.944 12.994 -1.990 699 H GLN 89 H GLN 89 13.654 8.478 -6.218 700 HA GLN 89 HA GLN 89 13.073 5.691 -6.693 701 HB2 GLN 89 1HB GLN 89 14.848 7.609 -7.768 702 HB3 GLN 89 2HB GLN 89 15.844 6.335 -7.079 703 HG2 GLN 89 1HG GLN 89 13.555 5.477 -8.735 704 HG3 GLN 89 2HG GLN 89 14.892 6.268 -9.569 705 HE21 GLN 89 1HE2 GLN 89 13.880 3.492 -7.754 706 HE22 GLN 89 2HE2 GLN 89 15.268 2.517 -8.078 707 H ASP 90 H ASP 90 14.238 7.473 -4.103 708 HA ASP 90 HA ASP 90 16.135 5.594 -3.074 709 HB2 ASP 90 1HB ASP 90 15.125 8.198 -2.347 710 HB3 ASP 90 2HB ASP 90 15.154 7.140 -0.940 711 H LYS 91 H LYS 91 12.933 6.582 -1.844 712 HA LYS 91 HA LYS 91 12.634 4.527 0.003 713 HB2 LYS 91 1HB LYS 91 10.390 5.816 -1.554 714 HB3 LYS 91 2HB LYS 91 10.285 5.069 0.034 715 HG2 LYS 91 1HG LYS 91 12.068 6.890 0.658 716 HG3 LYS 91 2HG LYS 91 11.396 7.714 -0.751 717 HD2 LYS 91 1HD LYS 91 9.139 7.477 0.243 718 HD3 LYS 91 2HD LYS 91 9.877 6.765 1.679 719 HE2 LYS 91 1HE LYS 91 10.633 9.483 0.634 720 HE3 LYS 91 2HE LYS 91 9.327 9.238 1.793 721 HZ1 LYS 91 3HZ LYS 91 10.909 9.408 3.331 722 HZ2 LYS 91 1HZ LYS 91 12.163 9.219 2.211 723 HZ3 LYS 91 2HZ LYS 91 11.405 7.858 2.868 724 H LEU 92 H LEU 92 12.277 4.497 -3.439 725 HA LEU 92 HA LEU 92 10.669 2.160 -3.638 726 HB2 LEU 92 1HB LEU 92 12.346 3.764 -5.501 727 HB3 LEU 92 2HB LEU 92 11.855 2.145 -5.995 728 HG LEU 92 HG LEU 92 9.649 2.735 -6.219 729 HD11 LEU 92 1HD1 LEU 92 10.179 4.952 -4.254 730 HD12 LEU 92 2HD1 LEU 92 9.206 3.502 -4.009 731 HD13 LEU 92 3HD1 LEU 92 8.659 4.753 -5.125 732 HD21 LEU 92 3HD2 LEU 92 10.132 5.496 -6.747 733 HD22 LEU 92 1HD2 LEU 92 9.932 4.166 -7.888 734 HD23 LEU 92 2HD2 LEU 92 11.534 4.558 -7.263 735 H ASP 93 H ASP 93 14.065 2.737 -3.211 736 HA ASP 93 HA ASP 93 14.854 0.056 -3.932 737 HB2 ASP 93 1HB ASP 93 16.201 2.553 -3.163 738 HB3 ASP 93 2HB ASP 93 16.983 1.096 -2.556 739 H ARG 94 H ARG 94 13.209 1.234 -1.379 740 HA ARG 94 HA ARG 94 14.567 -0.158 0.751 741 HB2 ARG 94 1HB ARG 94 11.798 1.054 0.736 742 HB3 ARG 94 2HB ARG 94 12.728 0.583 2.152 743 HG2 ARG 94 1HG ARG 94 13.686 2.671 0.220 744 HG3 ARG 94 2HG ARG 94 12.656 3.049 1.603 745 HD2 ARG 94 1HD ARG 94 15.337 1.677 1.754 746 HD3 ARG 94 2HD ARG 94 15.055 3.388 2.073 747 HE ARG 94 HE ARG 94 13.356 1.873 3.709 748 HH11 ARG 94 1HH1 ARG 94 16.741 2.580 3.306 749 HH12 ARG 94 2HH1 ARG 94 17.123 2.347 4.980 750 HH21 ARG 94 1HH2 ARG 94 13.846 1.563 5.915 751 HH22 ARG 94 2HH2 ARG 94 15.476 1.768 6.463 752 H LEU 95 H LEU 95 11.924 -0.763 -1.448 753 HA LEU 95 HA LEU 95 10.640 -2.862 -0.146 754 HB2 LEU 95 1HB LEU 95 11.087 -2.550 -3.110 755 HB3 LEU 95 2HB LEU 95 9.853 -3.547 -2.344 756 HG LEU 95 HG LEU 95 10.002 -0.537 -2.394 757 HD11 LEU 95 1HD1 LEU 95 7.569 -1.185 -3.309 758 HD12 LEU 95 2HD1 LEU 95 8.470 -2.605 -3.840 759 HD13 LEU 95 3HD1 LEU 95 8.978 -0.996 -4.354 760 HD21 LEU 95 3HD2 LEU 95 9.244 -1.170 -0.209 761 HD22 LEU 95 1HD2 LEU 95 8.136 -2.362 -0.887 762 HD23 LEU 95 2HD2 LEU 95 7.849 -0.642 -1.151 763 H ALA 96 H ALA 96 13.732 -2.745 -1.656 764 HA ALA 96 HA ALA 96 13.953 -5.679 -1.530 765 HB1 ALA 96 1HB ALA 96 14.531 -5.163 -3.692 766 HB2 ALA 96 2HB ALA 96 15.262 -3.621 -3.245 767 HB3 ALA 96 3HB ALA 96 16.110 -5.129 -2.905 768 H ASP 97 H ASP 97 14.284 -3.497 0.607 769 HA ASP 97 HA ASP 97 16.950 -4.363 1.522 770 HB2 ASP 97 1HB ASP 97 16.081 -1.740 1.039 771 HB3 ASP 97 2HB ASP 97 16.058 -1.921 2.792 772 H GLU 98 H GLU 98 16.871 -3.445 4.096 773 HA GLU 98 HA GLU 98 14.880 -5.238 5.271 774 HB2 GLU 98 1HB GLU 98 17.301 -3.938 6.533 775 HB3 GLU 98 2HB GLU 98 16.259 -5.132 7.295 776 HG2 GLU 98 1HG GLU 98 17.088 -6.862 6.045 777 HG3 GLU 98 2HG GLU 98 17.578 -5.812 4.717 778 H ILE 99 H ILE 99 14.338 -4.425 7.668 779 HA ILE 99 HA ILE 99 13.325 -1.670 7.389 780 HB ILE 99 HB ILE 99 11.658 -2.771 9.238 781 HG12 ILE 99 1HG1 ILE 99 10.894 -4.937 8.232 782 HG13 ILE 99 2HG1 ILE 99 12.329 -4.915 7.213 783 HG21 ILE 99 1HG2 ILE 99 10.499 -3.246 6.690 784 HG22 ILE 99 2HG2 ILE 99 10.247 -1.882 7.778 785 HG23 ILE 99 3HG2 ILE 99 11.530 -1.820 6.570 786 HD11 ILE 99 3HD1 ILE 99 12.997 -4.563 10.000 787 HD12 ILE 99 1HD1 ILE 99 12.091 -6.050 9.720 788 HD13 ILE 99 2HD1 ILE 99 13.587 -5.747 8.835 789 H ASN 100 H ASN 100 12.589 -0.878 9.708 790 HA ASN 100 HA ASN 100 14.862 -1.364 11.519 791 HB2 ASN 100 1HB ASN 100 13.254 1.158 11.065 792 HB3 ASN 100 2HB ASN 100 14.442 0.965 12.351 793 HD21 ASN 100 1HD2 ASN 100 16.448 -0.371 11.102 794 HD22 ASN 100 2HD2 ASN 100 17.121 0.609 9.847 795 HA PRO 101 HA PRO 101 11.211 -2.885 13.832 796 HB2 PRO 101 1HB PRO 101 12.613 -4.748 15.221 797 HB3 PRO 101 2HB PRO 101 11.985 -5.035 13.594 798 HG2 PRO 101 1HG PRO 101 14.751 -4.273 14.450 799 HG3 PRO 101 2HG PRO 101 14.243 -5.464 13.238 800 HD2 PRO 101 1HD PRO 101 15.110 -2.987 12.572 801 HD3 PRO 101 2HD PRO 101 13.886 -3.857 11.625 802 H GLY 102 H GLY 102 10.779 -1.259 15.247 803 HA2 GLY 102 1HA GLY 102 10.799 -0.738 17.607 804 HA3 GLY 102 2HA GLY 102 12.520 -1.096 17.621 805 H GLU 103 H GLU 103 11.814 0.590 14.845 806 HA GLU 103 HA GLU 103 12.472 3.159 16.130 807 HB2 GLU 103 1HB GLU 103 14.343 2.129 14.811 808 HB3 GLU 103 2HB GLU 103 13.339 2.275 13.375 809 HG2 GLU 103 1HG GLU 103 13.497 4.573 13.330 810 HG3 GLU 103 2HG GLU 103 13.897 4.684 15.043 811 H THR 104 H THR 104 11.840 5.078 14.839 812 HA THR 104 HA THR 104 9.223 4.613 13.581 813 HB THR 104 HB THR 104 10.327 7.132 14.839 814 HG1 THR 104 1HG THR 104 9.142 6.588 16.564 815 HG21 THR 104 3HG2 THR 104 7.890 6.563 13.239 816 HG22 THR 104 1HG2 THR 104 8.853 8.036 13.346 817 HG23 THR 104 2HG2 THR 104 7.720 7.628 14.634 818 H ILE 105 H ILE 105 9.587 4.384 11.439 819 HA ILE 105 HA ILE 105 10.704 6.691 10.036 820 HB ILE 105 HB ILE 105 12.059 5.326 8.554 821 HG12 ILE 105 1HG1 ILE 105 12.399 2.878 9.739 822 HG13 ILE 105 2HG1 ILE 105 10.673 3.145 9.956 823 HG21 ILE 105 1HG2 ILE 105 13.864 4.864 10.030 824 HG22 ILE 105 2HG2 ILE 105 12.986 6.237 10.700 825 HG23 ILE 105 3HG2 ILE 105 12.771 4.630 11.394 826 HD11 ILE 105 3HD1 ILE 105 11.492 3.805 7.276 827 HD12 ILE 105 1HD1 ILE 105 11.951 2.157 7.701 828 HD13 ILE 105 2HD1 ILE 105 10.267 2.666 7.834 829 H GLN 106 H GLN 106 10.550 5.987 7.491 830 HA GLN 106 HA GLN 106 8.010 4.651 6.990 831 HB2 GLN 106 1HB GLN 106 8.470 7.400 5.855 832 HB3 GLN 106 2HB GLN 106 6.980 6.467 5.885 833 HG2 GLN 106 1HG GLN 106 7.129 6.670 8.432 834 HG3 GLN 106 2HG GLN 106 8.318 7.935 8.124 835 HE21 GLN 106 1HE2 GLN 106 6.977 9.492 9.054 836 HE22 GLN 106 2HE2 GLN 106 5.581 10.099 8.236 837 H GLY 107 H GLY 107 7.648 5.267 4.358 838 HA2 GLY 107 1HA GLY 107 10.065 5.120 2.839 839 HA3 GLY 107 2HA GLY 107 9.314 3.541 3.008 840 H ALA 108 H ALA 108 8.544 3.146 1.014 841 HA ALA 108 HA ALA 108 6.260 4.630 0.118 842 HB1 ALA 108 1HB ALA 108 8.527 4.578 -1.840 843 HB2 ALA 108 2HB ALA 108 7.059 5.555 -1.861 844 HB3 ALA 108 3HB ALA 108 8.338 5.911 -0.701 845 H TYR 109 H TYR 109 5.586 3.749 -2.153 846 HA TYR 109 HA TYR 109 6.466 1.214 -2.996 847 HB2 TYR 109 1HB TYR 109 5.332 0.773 -0.686 848 HB3 TYR 109 2HB TYR 109 3.830 0.980 -1.580 849 HD1 TYR 109 2HD TYR 109 4.133 -0.349 -4.048 850 HD2 TYR 109 1HD TYR 109 5.772 -1.449 -0.279 851 HE1 TYR 109 2HE TYR 109 4.245 -2.693 -4.787 852 HE2 TYR 109 1HE TYR 109 5.890 -3.795 -1.008 853 HH TYR 109 HH TYR 109 4.399 -4.887 -3.934 854 HA PRO 110 HA PRO 110 3.812 3.475 -5.971 855 HB2 PRO 110 1HB PRO 110 5.339 2.842 -8.125 856 HB3 PRO 110 2HB PRO 110 5.697 4.208 -7.062 857 HG2 PRO 110 1HG PRO 110 6.903 1.469 -7.096 858 HG3 PRO 110 2HG PRO 110 7.702 3.041 -6.909 859 HD2 PRO 110 1HD PRO 110 7.163 1.422 -4.806 860 HD3 PRO 110 2HD PRO 110 7.160 3.193 -4.674 861 H TYR 111 H TYR 111 2.278 2.666 -7.353 862 HA TYR 111 HA TYR 111 2.334 -0.238 -7.847 863 HB2 TYR 111 1HB TYR 111 0.023 1.507 -7.003 864 HB3 TYR 111 2HB TYR 111 -0.207 -0.088 -7.712 865 HD1 TYR 111 2HD TYR 111 1.415 1.671 -4.866 866 HD2 TYR 111 1HD TYR 111 -0.105 -2.007 -6.373 867 HE1 TYR 111 2HE TYR 111 1.693 0.652 -2.644 868 HE2 TYR 111 1HE TYR 111 0.168 -3.035 -4.156 869 HH TYR 111 HH TYR 111 0.520 -2.587 -1.949 870 H GLU 112 H GLU 112 1.302 -0.969 -9.768 871 HA GLU 112 HA GLU 112 1.849 0.507 -12.052 872 HB2 GLU 112 1HB GLU 112 0.091 -1.867 -11.527 873 HB3 GLU 112 2HB GLU 112 0.142 -1.139 -13.126 874 HG2 GLU 112 1HG GLU 112 2.779 -1.399 -12.623 875 HG3 GLU 112 2HG GLU 112 2.139 -2.773 -11.725 876 H PHE 113 H PHE 113 1.014 2.481 -12.376 877 HA PHE 113 HA PHE 113 -1.783 3.016 -11.797 878 HB2 PHE 113 1HB PHE 113 0.492 4.562 -11.657 879 HB3 PHE 113 2HB PHE 113 -0.267 5.132 -13.140 880 HD1 PHE 113 2HD PHE 113 -1.481 4.104 -9.761 881 HD2 PHE 113 1HD PHE 113 -1.487 7.041 -12.842 882 HE1 PHE 113 2HE PHE 113 -3.023 5.488 -8.434 883 HE2 PHE 113 1HE PHE 113 -3.028 8.430 -11.519 884 HZ PHE 113 HZ PHE 113 -3.799 7.654 -9.313 885 H ILE 114 H ILE 114 -0.440 1.443 -14.194 886 HA ILE 114 HA ILE 114 -0.914 2.574 -16.614 887 HB ILE 114 HB ILE 114 -1.660 -0.245 -15.824 888 HG12 ILE 114 1HG1 ILE 114 0.835 0.548 -17.284 889 HG13 ILE 114 2HG1 ILE 114 0.765 0.712 -15.533 890 HG21 ILE 114 1HG2 ILE 114 -0.947 -0.385 -18.430 891 HG22 ILE 114 2HG2 ILE 114 -2.610 -0.245 -17.862 892 HG23 ILE 114 3HG2 ILE 114 -1.734 1.193 -18.386 893 HD11 ILE 114 3HD1 ILE 114 1.713 -1.372 -15.842 894 HD12 ILE 114 1HD1 ILE 114 0.013 -1.749 -15.558 895 HD13 ILE 114 2HD1 ILE 114 0.659 -1.763 -17.200 896 H ASN 115 H ASN 115 -3.319 1.432 -14.331 897 HA ASN 115 HA ASN 115 -5.495 1.919 -16.196 898 HB2 ASN 115 1HB ASN 115 -5.256 0.698 -13.480 899 HB3 ASN 115 2HB ASN 115 -6.821 1.334 -13.979 900 HD21 ASN 115 1HD2 ASN 115 -6.988 0.723 -16.575 901 HD22 ASN 115 2HD2 ASN 115 -6.934 -0.987 -16.812 902 H GLU 116 H GLU 116 -4.125 4.230 -15.801 903 HA GLU 116 HA GLU 116 -4.921 5.861 -13.683 904 HB2 GLU 116 1HB GLU 116 -4.469 7.758 -15.311 905 HB3 GLU 116 2HB GLU 116 -3.147 6.632 -15.041 906 HG2 GLU 116 1HG GLU 116 -3.033 6.181 -17.199 907 HG3 GLU 116 2HG GLU 116 -4.732 5.712 -17.229 908 H ASN 117 H ASN 117 -6.670 4.764 -16.440 909 HA ASN 117 HA ASN 117 -8.684 6.830 -16.312 910 HB2 ASN 117 1HB ASN 117 -9.864 5.291 -17.976 911 HB3 ASN 117 2HB ASN 117 -8.319 5.967 -18.485 912 HD21 ASN 117 1HD2 ASN 117 -6.436 4.606 -18.318 913 HD22 ASN 117 2HD2 ASN 117 -6.606 2.894 -18.474 914 H LYS 118 H LYS 118 -8.031 3.962 -14.655 915 HA LYS 118 HA LYS 118 -10.839 3.727 -13.792 916 HB2 LYS 118 1HB LYS 118 -8.714 1.610 -13.478 917 HB3 LYS 118 2HB LYS 118 -10.453 1.429 -13.288 918 HG2 LYS 118 1HG LYS 118 -9.087 2.079 -15.890 919 HG3 LYS 118 2HG LYS 118 -9.562 0.456 -15.383 920 HD2 LYS 118 1HD LYS 118 -11.912 1.497 -15.081 921 HD3 LYS 118 2HD LYS 118 -11.292 2.795 -16.104 922 HE2 LYS 118 1HE LYS 118 -10.717 1.129 -17.825 923 HE3 LYS 118 2HE LYS 118 -11.401 -0.137 -16.807 924 HZ1 LYS 118 3HZ LYS 118 -12.734 1.799 -18.478 925 HZ2 LYS 118 1HZ LYS 118 -13.415 1.640 -16.938 926 HZ3 LYS 118 2HZ LYS 118 -13.265 0.286 -17.939 927 HA PRO 119 HA PRO 119 -9.746 4.962 -9.723 928 HB2 PRO 119 1HB PRO 119 -11.479 3.485 -8.245 929 HB3 PRO 119 2HB PRO 119 -11.986 4.867 -9.222 930 HG2 PRO 119 1HG PRO 119 -12.138 1.945 -9.852 931 HG3 PRO 119 2HG PRO 119 -13.348 3.212 -10.123 932 HD2 PRO 119 1HD PRO 119 -11.744 2.283 -12.096 933 HD3 PRO 119 2HD PRO 119 -12.315 3.963 -12.042 934 H VAL 120 H VAL 120 -8.530 4.364 -7.943 935 HA VAL 120 HA VAL 120 -7.223 1.765 -8.145 936 HB VAL 120 HB VAL 120 -6.575 4.131 -6.380 937 HG11 VAL 120 1HG1 VAL 120 -5.572 2.437 -5.228 938 HG12 VAL 120 2HG1 VAL 120 -5.408 1.412 -6.655 939 HG13 VAL 120 3HG1 VAL 120 -4.306 2.768 -6.409 940 HG21 VAL 120 3HG2 VAL 120 -6.227 4.683 -8.699 941 HG22 VAL 120 1HG2 VAL 120 -4.661 4.424 -7.930 942 HG23 VAL 120 2HG2 VAL 120 -5.352 3.175 -8.967 943 H HIS 121 H HIS 121 -8.343 0.181 -7.176 944 HA HIS 121 HA HIS 121 -10.025 0.529 -4.930 945 HB2 HIS 121 1HB HIS 121 -9.256 -1.617 -6.685 946 HB3 HIS 121 2HB HIS 121 -9.212 -2.173 -5.015 947 HD1 HIS 121 1HD HIS 121 -11.628 -0.709 -3.862 948 HD2 HIS 121 2HD HIS 121 -11.629 -2.598 -7.563 949 HE1 HIS 121 1HE HIS 121 -14.041 -1.213 -4.359 950 H PHE 122 H PHE 122 -8.866 1.567 -3.303 951 HA PHE 122 HA PHE 122 -6.407 0.481 -2.292 952 HB2 PHE 122 1HB PHE 122 -8.235 2.708 -1.433 953 HB3 PHE 122 2HB PHE 122 -6.909 2.181 -0.401 954 HD1 PHE 122 2HD PHE 122 -4.740 1.676 -2.212 955 HD2 PHE 122 1HD PHE 122 -7.686 4.745 -2.340 956 HE1 PHE 122 2HE PHE 122 -3.188 3.108 -3.475 957 HE2 PHE 122 1HE PHE 122 -6.140 6.182 -3.604 958 HZ PHE 122 HZ PHE 122 -3.887 5.365 -4.172 959 H LYS 123 H LYS 123 -6.716 -1.581 -1.555 960 HA LYS 123 HA LYS 123 -8.704 -1.961 0.581 961 HB2 LYS 123 1HB LYS 123 -8.748 -3.414 -1.535 962 HB3 LYS 123 2HB LYS 123 -7.291 -4.169 -0.901 963 HG2 LYS 123 1HG LYS 123 -8.670 -4.584 1.222 964 HG3 LYS 123 2HG LYS 123 -10.071 -4.224 0.210 965 HD2 LYS 123 1HD LYS 123 -10.021 -6.415 -0.277 966 HD3 LYS 123 2HD LYS 123 -8.693 -5.983 -1.355 967 HE2 LYS 123 1HE LYS 123 -7.110 -6.428 0.501 968 HE3 LYS 123 2HE LYS 123 -8.467 -6.969 1.487 969 HZ1 LYS 123 3HZ LYS 123 -8.509 -8.306 -0.993 970 HZ2 LYS 123 1HZ LYS 123 -8.339 -8.958 0.559 971 HZ3 LYS 123 2HZ LYS 123 -6.971 -8.468 -0.307 972 H PHE 124 H PHE 124 -8.068 -2.486 2.592 973 HA PHE 124 HA PHE 124 -5.211 -3.071 3.013 974 HB2 PHE 124 1HB PHE 124 -6.964 -1.539 4.936 975 HB3 PHE 124 2HB PHE 124 -5.218 -1.749 5.011 976 HD1 PHE 124 1HD PHE 124 -7.965 -0.053 3.256 977 HD2 PHE 124 2HD PHE 124 -3.749 -0.374 3.739 978 HE1 PHE 124 1HE PHE 124 -7.665 2.041 1.999 979 HE2 PHE 124 2HE PHE 124 -3.442 1.719 2.483 980 HZ PHE 124 HZ PHE 124 -5.402 2.930 1.612 981 H ARG 125 H ARG 125 -5.331 -5.251 3.278 982 HA ARG 125 HA ARG 125 -6.106 -6.287 5.765 983 HB2 ARG 125 1HB ARG 125 -8.386 -6.002 4.937 984 HB3 ARG 125 2HB ARG 125 -7.996 -6.930 3.496 985 HG2 ARG 125 1HG ARG 125 -9.025 -8.535 4.739 986 HG3 ARG 125 2HG ARG 125 -7.355 -8.774 5.258 987 HD2 ARG 125 1HD ARG 125 -8.952 -6.799 6.775 988 HD3 ARG 125 2HD ARG 125 -9.402 -8.493 6.966 989 HE ARG 125 HE ARG 125 -6.613 -8.212 7.253 990 HH11 ARG 125 1HH1 ARG 125 -9.593 -7.499 8.906 991 HH12 ARG 125 2HH1 ARG 125 -8.886 -7.571 10.486 992 HH21 ARG 125 1HH2 ARG 125 -5.670 -8.309 9.328 993 HH22 ARG 125 2HH2 ARG 125 -6.654 -8.030 10.725 994 H ASP 126 H ASP 126 -5.878 -7.175 2.328 995 HA ASP 126 HA ASP 126 -4.611 -8.725 1.245 996 HB2 ASP 126 1HB ASP 126 -2.809 -7.715 2.741 997 HB3 ASP 126 2HB ASP 126 -3.057 -9.098 3.803 998 H ARG 127 H ARG 127 -4.581 -10.947 0.901 999 HA ARG 127 HA ARG 127 -6.474 -12.435 2.479 1000 HB2 ARG 127 1HB ARG 127 -6.111 -14.218 0.814 1001 HB3 ARG 127 2HB ARG 127 -6.484 -12.673 0.060 1002 HG2 ARG 127 1HG ARG 127 -4.763 -13.396 -1.258 1003 HG3 ARG 127 2HG ARG 127 -3.882 -12.445 -0.061 1004 HD2 ARG 127 1HD ARG 127 -4.236 -15.150 0.855 1005 HD3 ARG 127 2HD ARG 127 -3.482 -15.132 -0.739 1006 HE ARG 127 HE ARG 127 -2.302 -13.300 1.143 1007 HH11 ARG 127 1HH1 ARG 127 -2.290 -16.550 -0.105 1008 HH12 ARG 127 2HH1 ARG 127 -0.656 -16.868 0.375 1009 HH21 ARG 127 1HH2 ARG 127 -0.150 -13.707 1.781 1010 HH22 ARG 127 2HH2 ARG 127 0.560 -15.250 1.449 1011 H LEU 128 H LEU 128 -5.988 -14.672 3.207 1012 HA LEU 128 HA LEU 128 -4.840 -16.138 4.512 1013 HB2 LEU 128 1HB LEU 128 -3.337 -16.054 2.457 1014 HB3 LEU 128 2HB LEU 128 -2.308 -14.970 3.392 1015 HG LEU 128 HG LEU 128 -2.329 -16.933 5.127 1016 HD11 LEU 128 1HD1 LEU 128 -3.245 -18.851 4.502 1017 HD12 LEU 128 2HD1 LEU 128 -2.286 -18.870 3.022 1018 HD13 LEU 128 3HD1 LEU 128 -3.851 -18.057 3.048 1019 HD21 LEU 128 3HD2 LEU 128 -0.725 -17.479 2.670 1020 HD22 LEU 128 1HD2 LEU 128 -0.242 -17.529 4.366 1021 HD23 LEU 128 2HD2 LEU 128 -0.470 -15.977 3.560 1022 H LEU 129 H LEU 129 -5.693 -14.338 6.066 1023 HA LEU 129 HA LEU 129 -3.855 -14.077 8.153 1024 HB2 LEU 129 1HB LEU 129 -3.715 -11.996 6.170 1025 HB3 LEU 129 2HB LEU 129 -4.222 -11.334 7.723 1026 HG LEU 129 HG LEU 129 -1.772 -13.055 7.451 1027 HD11 LEU 129 1HD1 LEU 129 -2.036 -10.083 7.058 1028 HD12 LEU 129 2HD1 LEU 129 -1.365 -11.269 5.939 1029 HD13 LEU 129 3HD1 LEU 129 -0.511 -10.886 7.433 1030 HD21 LEU 129 3HD2 LEU 129 -2.835 -12.617 9.690 1031 HD22 LEU 129 1HD2 LEU 129 -2.443 -10.914 9.457 1032 HD23 LEU 129 2HD2 LEU 129 -1.152 -12.112 9.538 1033 H SER 130 H SER 130 -6.669 -12.618 6.588 1034 HA SER 130 HA SER 130 -7.964 -12.455 9.232 1035 HB2 SER 130 1HB SER 130 -8.654 -10.377 8.742 1036 HB3 SER 130 2HB SER 130 -7.606 -10.433 7.325 1037 HG SER 130 HG SER 130 -9.292 -10.722 6.077 1038 H LEU 131 H LEU 131 -8.241 -13.508 5.914 1039 HA LEU 131 HA LEU 131 -9.579 -15.080 4.947 1040 HB2 LEU 131 1HB LEU 131 -11.012 -15.508 7.539 1041 HB3 LEU 131 2HB LEU 131 -10.694 -16.658 6.242 1042 HG LEU 131 HG LEU 131 -8.776 -15.653 8.333 1043 HD11 LEU 131 1HD1 LEU 131 -8.633 -17.952 8.978 1044 HD12 LEU 131 2HD1 LEU 131 -9.620 -18.452 7.606 1045 HD13 LEU 131 3HD1 LEU 131 -10.338 -17.504 8.909 1046 HD21 LEU 131 3HD2 LEU 131 -8.269 -16.915 5.686 1047 HD22 LEU 131 1HD2 LEU 131 -7.272 -17.399 7.058 1048 HD23 LEU 131 2HD2 LEU 131 -7.328 -15.707 6.563 1049 H ASP 132 H ASP 132 -11.668 -13.682 7.478 1050 HA ASP 132 HA ASP 132 -13.937 -13.449 5.858 1051 HB2 ASP 132 1HB ASP 132 -13.253 -12.873 8.533 1052 HB3 ASP 132 2HB ASP 132 -13.902 -11.380 7.860 1053 H GLU 133 H GLU 133 -14.957 -11.000 5.852 1054 HA GLU 133 HA GLU 133 -13.789 -9.745 3.657 1055 HB2 GLU 133 1HB GLU 133 -15.871 -8.973 5.648 1056 HB3 GLU 133 2HB GLU 133 -15.230 -7.724 4.589 1057 HG2 GLU 133 1HG GLU 133 -15.753 -9.469 2.713 1058 HG3 GLU 133 2HG GLU 133 -16.857 -10.124 3.922 1059 HA PRO 134 HA PRO 134 -10.597 -7.149 5.175 1060 HB2 PRO 134 1HB PRO 134 -10.932 -4.891 3.704 1061 HB3 PRO 134 2HB PRO 134 -10.313 -6.400 3.021 1062 HG2 PRO 134 1HG PRO 134 -13.081 -5.265 2.911 1063 HG3 PRO 134 2HG PRO 134 -12.138 -6.041 1.625 1064 HD2 PRO 134 1HD PRO 134 -14.069 -7.344 3.005 1065 HD3 PRO 134 2HD PRO 134 -12.625 -8.164 2.377 1066 H ILE 135 H ILE 135 -10.158 -4.856 6.003 1067 HA ILE 135 HA ILE 135 -12.373 -4.100 7.776 1068 HB ILE 135 HB ILE 135 -10.215 -4.753 8.830 1069 HG12 ILE 135 1HG1 ILE 135 -10.758 -1.831 9.323 1070 HG13 ILE 135 2HG1 ILE 135 -11.910 -3.077 9.788 1071 HG21 ILE 135 1HG2 ILE 135 -9.192 -2.243 7.508 1072 HG22 ILE 135 2HG2 ILE 135 -8.324 -3.195 8.711 1073 HG23 ILE 135 3HG2 ILE 135 -8.698 -3.895 7.136 1074 HD11 ILE 135 3HD1 ILE 135 -9.687 -2.139 11.225 1075 HD12 ILE 135 1HD1 ILE 135 -10.792 -3.444 11.655 1076 HD13 ILE 135 2HD1 ILE 135 -9.324 -3.796 10.744 1077 H ALA 136 H ALA 136 -10.205 -2.884 5.326 1078 HA ALA 136 HA ALA 136 -11.794 -0.427 5.202 1079 HB1 ALA 136 1HB ALA 136 -9.773 0.941 4.918 1080 HB2 ALA 136 2HB ALA 136 -9.835 0.169 6.503 1081 HB3 ALA 136 3HB ALA 136 -8.779 -0.479 5.248 1082 H SER 137 H SER 137 -12.357 0.099 3.183 1083 HA SER 137 HA SER 137 -10.703 -0.514 0.913 1084 HB2 SER 137 1HB SER 137 -12.612 -1.837 -0.198 1085 HB3 SER 137 2HB SER 137 -11.630 -2.680 0.999 1086 HG SER 137 HG SER 137 -14.003 -1.355 1.746 1087 H GLU 138 H GLU 138 -11.117 0.833 -0.759 1088 HA GLU 138 HA GLU 138 -13.588 1.960 -1.418 1089 HB2 GLU 138 1HB GLU 138 -13.546 3.206 0.607 1090 HB3 GLU 138 2HB GLU 138 -11.857 3.641 0.387 1091 HG2 GLU 138 1HG GLU 138 -12.409 5.088 -1.445 1092 HG3 GLU 138 2HG GLU 138 -14.091 4.563 -1.403 1093 H GLU 139 H GLU 139 -13.480 2.928 -3.382 1094 HA GLU 139 HA GLU 139 -10.940 2.880 -4.739 1095 HB2 GLU 139 1HB GLU 139 -13.784 3.284 -5.528 1096 HB3 GLU 139 2HB GLU 139 -12.540 3.913 -6.599 1097 HG2 GLU 139 1HG GLU 139 -11.586 1.737 -6.876 1098 HG3 GLU 139 2HG GLU 139 -12.658 1.062 -5.650 1099 H ILE 140 H ILE 140 -9.784 4.598 -5.536 1100 HA ILE 140 HA ILE 140 -10.765 7.306 -5.093 1101 HB ILE 140 HB ILE 140 -8.147 6.349 -3.930 1102 HG12 ILE 140 1HG1 ILE 140 -10.683 7.309 -2.586 1103 HG13 ILE 140 2HG1 ILE 140 -10.078 5.655 -2.591 1104 HG21 ILE 140 1HG2 ILE 140 -7.969 8.600 -4.822 1105 HG22 ILE 140 2HG2 ILE 140 -9.413 9.085 -3.936 1106 HG23 ILE 140 3HG2 ILE 140 -7.950 8.637 -3.059 1107 HD11 ILE 140 3HD1 ILE 140 -9.234 7.980 -0.999 1108 HD12 ILE 140 1HD1 ILE 140 -9.265 6.265 -0.588 1109 HD13 ILE 140 2HD1 ILE 140 -7.947 6.915 -1.565 1110 H THR 141 H THR 141 -10.116 8.689 -6.637 1111 HA THR 141 HA THR 141 -8.267 7.664 -8.667 1112 HB THR 141 HB THR 141 -9.528 10.191 -9.334 1113 HG1 THR 141 1HG THR 141 -11.369 9.711 -8.347 1114 HG21 THR 141 3HG2 THR 141 -9.052 7.530 -10.504 1115 HG22 THR 141 1HG2 THR 141 -8.899 9.130 -11.228 1116 HG23 THR 141 2HG2 THR 141 -10.485 8.370 -11.095 1117 H ILE 142 H ILE 142 -6.215 8.235 -8.344 1118 HA ILE 142 HA ILE 142 -5.630 10.896 -7.248 1119 HB ILE 142 HB ILE 142 -3.676 8.627 -7.597 1120 HG12 ILE 142 1HG1 ILE 142 -5.270 9.353 -5.129 1121 HG13 ILE 142 2HG1 ILE 142 -5.551 7.937 -6.136 1122 HG21 ILE 142 1HG2 ILE 142 -3.077 10.337 -5.421 1123 HG22 ILE 142 2HG2 ILE 142 -2.177 10.113 -6.920 1124 HG23 ILE 142 3HG2 ILE 142 -3.430 11.350 -6.820 1125 HD11 ILE 142 3HD1 ILE 142 -3.488 6.972 -5.502 1126 HD12 ILE 142 1HD1 ILE 142 -2.948 8.466 -4.736 1127 HD13 ILE 142 2HD1 ILE 142 -4.267 7.536 -4.024 1128 H THR 143 H THR 143 -4.425 12.375 -8.342 1129 HA THR 143 HA THR 143 -2.810 11.836 -10.584 1130 HB THR 143 HB THR 143 -4.607 13.356 -12.016 1131 HG1 THR 143 1HG THR 143 -6.505 12.979 -11.167 1132 HG21 THR 143 3HG2 THR 143 -5.145 10.758 -12.798 1133 HG22 THR 143 1HG2 THR 143 -3.550 10.646 -12.055 1134 HG23 THR 143 2HG2 THR 143 -3.826 11.769 -13.387 Start of MODEL 20 1 H1 MET 1 H MET 1 -16.025 -7.436 26.439 2 HA MET 1 HA MET 1 -15.704 -9.436 24.304 3 HB2 MET 1 1HB MET 1 -17.119 -10.953 25.801 4 HB3 MET 1 2HB MET 1 -15.435 -10.723 26.252 5 HG2 MET 1 1HG MET 1 -15.950 -9.507 28.113 6 HG3 MET 1 2HG MET 1 -17.471 -8.921 27.443 7 HE1 MET 1 3HE MET 1 -19.428 -9.762 27.430 8 HE2 MET 1 1HE MET 1 -19.921 -11.443 27.638 9 HE3 MET 1 2HE MET 1 -19.916 -10.348 29.021 10 H ASP 2 H ASP 2 -17.037 -8.658 22.775 11 HA ASP 2 HA ASP 2 -19.873 -8.519 23.399 12 HB2 ASP 2 1HB ASP 2 -18.371 -6.165 23.261 13 HB3 ASP 2 2HB ASP 2 -19.181 -6.274 21.700 14 H GLU 3 H GLU 3 -18.025 -10.222 21.830 15 HA GLU 3 HA GLU 3 -17.901 -11.268 19.809 16 HB2 GLU 3 1HB GLU 3 -20.321 -11.607 20.472 17 HB3 GLU 3 2HB GLU 3 -20.719 -10.267 19.406 18 HG2 GLU 3 1HG GLU 3 -19.790 -11.495 17.511 19 HG3 GLU 3 2HG GLU 3 -19.390 -12.839 18.580 20 H VAL 4 H VAL 4 -16.339 -9.765 19.004 21 HA VAL 4 HA VAL 4 -16.906 -7.380 17.676 22 HB VAL 4 HB VAL 4 -14.731 -7.816 16.441 23 HG11 VAL 4 1HG1 VAL 4 -13.402 -7.800 18.661 24 HG12 VAL 4 2HG1 VAL 4 -14.528 -6.482 18.329 25 HG13 VAL 4 3HG1 VAL 4 -14.992 -7.787 19.423 26 HG21 VAL 4 3HG2 VAL 4 -13.477 -9.715 16.821 27 HG22 VAL 4 1HG2 VAL 4 -14.323 -10.102 18.319 28 HG23 VAL 4 2HG2 VAL 4 -15.110 -10.378 16.765 29 H LEU 5 H LEU 5 -16.113 -7.265 15.191 30 HA LEU 5 HA LEU 5 -17.850 -9.135 13.718 31 HB2 LEU 5 1HB LEU 5 -17.189 -6.339 12.842 32 HB3 LEU 5 2HB LEU 5 -18.453 -7.405 12.230 33 HG LEU 5 HG LEU 5 -19.278 -7.153 14.772 34 HD11 LEU 5 1HD1 LEU 5 -18.979 -4.890 15.546 35 HD12 LEU 5 2HD1 LEU 5 -17.996 -4.501 14.135 36 HD13 LEU 5 3HD1 LEU 5 -17.401 -5.650 15.333 37 HD21 LEU 5 3HD2 LEU 5 -20.690 -6.761 12.883 38 HD22 LEU 5 1HD2 LEU 5 -19.802 -5.298 12.456 39 HD23 LEU 5 2HD2 LEU 5 -20.774 -5.341 13.927 40 H ALA 6 H ALA 6 -17.158 -8.454 11.149 41 HA ALA 6 HA ALA 6 -14.829 -9.963 10.725 42 HB1 ALA 6 1HB ALA 6 -15.013 -8.961 8.361 43 HB2 ALA 6 2HB ALA 6 -16.337 -9.964 8.954 44 HB3 ALA 6 3HB ALA 6 -16.492 -8.207 8.957 45 H THR 7 H THR 7 -13.132 -9.073 11.923 46 HA THR 7 HA THR 7 -11.234 -7.846 12.205 47 HB THR 7 HB THR 7 -11.577 -6.156 9.810 48 HG1 THR 7 1HG THR 7 -11.471 -8.997 9.669 49 HG21 THR 7 3HG2 THR 7 -9.434 -6.071 10.657 50 HG22 THR 7 1HG2 THR 7 -9.259 -7.324 9.429 51 HG23 THR 7 2HG2 THR 7 -9.437 -7.771 11.126 52 H SER 8 H SER 8 -13.322 -6.965 13.629 53 HA SER 8 HA SER 8 -13.572 -4.084 13.209 54 HB2 SER 8 1HB SER 8 -15.432 -5.907 13.964 55 HB3 SER 8 2HB SER 8 -14.896 -5.331 15.543 56 HG SER 8 HG SER 8 -16.115 -3.906 13.446 57 H ILE 9 H ILE 9 -11.058 -5.313 14.087 58 HA ILE 9 HA ILE 9 -10.814 -4.421 16.858 59 HB ILE 9 HB ILE 9 -8.797 -5.775 15.063 60 HG12 ILE 9 1HG1 ILE 9 -10.635 -7.258 15.641 61 HG13 ILE 9 2HG1 ILE 9 -9.194 -7.729 16.537 62 HG21 ILE 9 1HG2 ILE 9 -8.580 -4.507 17.694 63 HG22 ILE 9 2HG2 ILE 9 -7.933 -6.145 17.618 64 HG23 ILE 9 3HG2 ILE 9 -7.328 -4.906 16.518 65 HD11 ILE 9 3HD1 ILE 9 -10.399 -7.658 18.385 66 HD12 ILE 9 1HD1 ILE 9 -10.555 -5.914 18.174 67 HD13 ILE 9 2HD1 ILE 9 -11.780 -6.997 17.512 68 H GLY 10 H GLY 10 -8.594 -4.103 14.091 69 HA2 GLY 10 1HA GLY 10 -7.452 -1.700 15.023 70 HA3 GLY 10 2HA GLY 10 -7.305 -2.337 13.392 71 H THR 11 H THR 11 -7.339 0.086 13.029 72 HA THR 11 HA THR 11 -10.059 0.829 12.284 73 HB THR 11 HB THR 11 -9.017 3.251 13.166 74 HG1 THR 11 1HG THR 11 -7.549 2.531 14.572 75 HG21 THR 11 3HG2 THR 11 -11.358 2.005 13.332 76 HG22 THR 11 1HG2 THR 11 -10.952 3.364 14.378 77 HG23 THR 11 2HG2 THR 11 -10.802 1.713 14.979 78 H TYR 12 H TYR 12 -10.139 2.571 10.719 79 HA TYR 12 HA TYR 12 -7.631 3.353 9.473 80 HB2 TYR 12 1HB TYR 12 -8.029 1.307 8.298 81 HB3 TYR 12 2HB TYR 12 -9.730 1.696 8.068 82 HD1 TYR 12 2HD TYR 12 -6.297 2.737 7.106 83 HD2 TYR 12 1HD TYR 12 -10.444 2.865 6.161 84 HE1 TYR 12 2HE TYR 12 -5.764 3.752 4.930 85 HE2 TYR 12 1HE TYR 12 -9.922 3.880 3.982 86 HH TYR 12 HH TYR 12 -7.111 5.304 3.243 87 H GLU 13 H GLU 13 -7.947 5.495 9.644 88 HA GLU 13 HA GLU 13 -9.724 6.817 7.907 89 HB2 GLU 13 1HB GLU 13 -11.243 7.863 9.493 90 HB3 GLU 13 2HB GLU 13 -11.405 6.114 9.563 91 HG2 GLU 13 1HG GLU 13 -9.957 6.099 11.564 92 HG3 GLU 13 2HG GLU 13 -9.928 7.861 11.517 93 H ASN 14 H ASN 14 -9.741 9.235 8.339 94 HA ASN 14 HA ASN 14 -8.533 11.155 8.521 95 HB2 ASN 14 1HB ASN 14 -7.288 10.014 11.013 96 HB3 ASN 14 2HB ASN 14 -7.705 11.689 10.661 97 HD21 ASN 14 1HD2 ASN 14 -8.436 9.845 12.879 98 HD22 ASN 14 2HD2 ASN 14 -10.162 9.894 12.946 99 H ARG 15 H ARG 15 -7.382 9.098 6.942 100 HA ARG 15 HA ARG 15 -5.451 8.565 5.866 101 HB2 ARG 15 1HB ARG 15 -4.719 11.203 7.112 102 HB3 ARG 15 2HB ARG 15 -3.564 10.301 6.140 103 HG2 ARG 15 1HG ARG 15 -6.266 11.243 5.203 104 HG3 ARG 15 2HG ARG 15 -4.725 12.026 4.848 105 HD2 ARG 15 1HD ARG 15 -4.861 10.767 2.974 106 HD3 ARG 15 2HD ARG 15 -4.153 9.543 4.027 107 HE ARG 15 HE ARG 15 -6.827 9.218 4.367 108 HH11 ARG 15 1HH1 ARG 15 -4.731 9.310 1.589 109 HH12 ARG 15 2HH1 ARG 15 -5.713 8.236 0.649 110 HH21 ARG 15 1HH2 ARG 15 -8.129 7.804 3.140 111 HH22 ARG 15 2HH2 ARG 15 -7.647 7.381 1.532 112 H THR 16 H THR 16 -5.747 6.998 7.952 113 HA THR 16 HA THR 16 -3.055 6.412 8.752 114 HB THR 16 HB THR 16 -5.047 7.197 10.888 115 HG1 THR 16 1HG THR 16 -2.794 8.407 9.751 116 HG21 THR 16 3HG2 THR 16 -2.726 6.800 12.203 117 HG22 THR 16 1HG2 THR 16 -2.586 5.567 10.951 118 HG23 THR 16 2HG2 THR 16 -3.975 5.567 12.038 119 H LEU 17 H LEU 17 -2.800 4.296 9.447 120 HA LEU 17 HA LEU 17 -5.240 2.662 9.613 121 HB2 LEU 17 1HB LEU 17 -4.219 2.446 7.384 122 HB3 LEU 17 2HB LEU 17 -2.713 1.929 8.140 123 HG LEU 17 HG LEU 17 -4.646 0.169 9.114 124 HD11 LEU 17 1HD1 LEU 17 -5.362 -0.696 6.736 125 HD12 LEU 17 2HD1 LEU 17 -5.213 1.010 6.318 126 HD13 LEU 17 3HD1 LEU 17 -6.320 0.509 7.596 127 HD21 LEU 17 3HD2 LEU 17 -3.464 -1.393 7.443 128 HD22 LEU 17 1HD2 LEU 17 -2.498 -0.624 8.703 129 HD23 LEU 17 2HD2 LEU 17 -2.471 0.013 7.058 130 H LEU 18 H LEU 18 -5.249 1.097 11.149 131 HA LEU 18 HA LEU 18 -2.753 0.629 12.637 132 HB2 LEU 18 1HB LEU 18 -4.954 2.030 13.585 133 HB3 LEU 18 2HB LEU 18 -5.131 0.421 14.282 134 HG LEU 18 HG LEU 18 -2.752 2.252 14.598 135 HD11 LEU 18 1HD1 LEU 18 -4.653 3.010 15.879 136 HD12 LEU 18 2HD1 LEU 18 -3.455 2.298 16.959 137 HD13 LEU 18 3HD1 LEU 18 -4.902 1.389 16.527 138 HD21 LEU 18 3HD2 LEU 18 -1.690 0.273 14.844 139 HD22 LEU 18 1HD2 LEU 18 -3.180 -0.612 15.171 140 HD23 LEU 18 2HD2 LEU 18 -2.418 0.334 16.450 141 H VAL 19 H VAL 19 -2.368 -1.442 13.276 142 HA VAL 19 HA VAL 19 -4.444 -3.447 13.222 143 HB VAL 19 HB VAL 19 -2.936 -4.887 11.652 144 HG11 VAL 19 1HG1 VAL 19 -4.344 -2.862 10.043 145 HG12 VAL 19 2HG1 VAL 19 -4.539 -4.615 10.089 146 HG13 VAL 19 3HG1 VAL 19 -5.290 -3.610 11.329 147 HG21 VAL 19 3HG2 VAL 19 -2.312 -2.190 10.488 148 HG22 VAL 19 1HG2 VAL 19 -1.206 -3.007 11.593 149 HG23 VAL 19 2HG2 VAL 19 -1.636 -3.762 10.058 150 HA PRO 20 HA PRO 20 -1.884 -5.383 16.214 151 HB2 PRO 20 1HB PRO 20 -2.432 -8.010 15.803 152 HB3 PRO 20 2HB PRO 20 -3.586 -6.891 16.539 153 HG2 PRO 20 1HG PRO 20 -3.435 -7.870 13.714 154 HG3 PRO 20 2HG PRO 20 -4.857 -7.668 14.754 155 HD2 PRO 20 1HD PRO 20 -4.176 -5.866 12.852 156 HD3 PRO 20 2HD PRO 20 -4.975 -5.399 14.367 157 H ASP 21 H ASP 21 -1.408 -5.973 12.878 158 HA ASP 21 HA ASP 21 0.983 -7.587 13.291 159 HB2 ASP 21 1HB ASP 21 -0.626 -6.769 10.900 160 HB3 ASP 21 2HB ASP 21 1.038 -7.305 10.682 161 H GLY 22 H GLY 22 0.065 -4.395 12.056 162 HA2 GLY 22 1HA GLY 22 2.713 -3.400 12.733 163 HA3 GLY 22 2HA GLY 22 2.289 -3.333 11.028 164 H ARG 23 H ARG 23 2.362 -1.080 10.968 165 HA ARG 23 HA ARG 23 -0.082 0.209 11.743 166 HB2 ARG 23 1HB ARG 23 1.803 0.247 13.692 167 HB3 ARG 23 2HB ARG 23 2.242 1.697 12.800 168 HG2 ARG 23 1HG ARG 23 -0.525 1.837 13.071 169 HG3 ARG 23 2HG ARG 23 0.064 1.253 14.629 170 HD2 ARG 23 1HD ARG 23 0.007 3.650 14.684 171 HD3 ARG 23 2HD ARG 23 1.692 3.130 14.651 172 HE ARG 23 HE ARG 23 0.853 3.593 12.021 173 HH11 ARG 23 1HH1 ARG 23 1.480 5.351 14.960 174 HH12 ARG 23 2HH1 ARG 23 1.921 6.815 14.144 175 HH21 ARG 23 1HH2 ARG 23 1.431 5.514 10.936 176 HH22 ARG 23 2HH2 ARG 23 1.892 6.906 11.856 177 H LEU 24 H LEU 24 -0.521 1.086 9.822 178 HA LEU 24 HA LEU 24 1.631 2.488 8.387 179 HB2 LEU 24 1HB LEU 24 -0.951 1.274 7.431 180 HB3 LEU 24 2HB LEU 24 0.052 2.320 6.427 181 HG LEU 24 HG LEU 24 1.809 0.369 7.308 182 HD11 LEU 24 1HD1 LEU 24 0.833 -1.699 7.243 183 HD12 LEU 24 2HD1 LEU 24 -0.539 -1.147 6.283 184 HD13 LEU 24 3HD1 LEU 24 -0.456 -0.765 8.002 185 HD21 LEU 24 3HD2 LEU 24 1.578 -0.462 4.948 186 HD22 LEU 24 1HD2 LEU 24 1.874 1.269 5.110 187 HD23 LEU 24 2HD2 LEU 24 0.250 0.683 4.750 188 H ALA 25 H ALA 25 0.824 4.382 7.047 189 HA ALA 25 HA ALA 25 -1.502 5.797 7.697 190 HB1 ALA 25 1HB ALA 25 -0.417 7.636 9.058 191 HB2 ALA 25 2HB ALA 25 -0.712 6.113 9.898 192 HB3 ALA 25 3HB ALA 25 0.913 6.512 9.340 193 H LEU 26 H LEU 26 -1.742 6.740 5.781 194 HA LEU 26 HA LEU 26 0.113 7.287 3.868 195 HB2 LEU 26 1HB LEU 26 -2.291 9.002 4.476 196 HB3 LEU 26 2HB LEU 26 -1.439 8.909 2.936 197 HG LEU 26 HG LEU 26 -3.174 7.546 2.434 198 HD11 LEU 26 1HD1 LEU 26 -2.503 5.325 2.429 199 HD12 LEU 26 2HD1 LEU 26 -1.733 5.448 4.010 200 HD13 LEU 26 3HD1 LEU 26 -0.982 6.201 2.603 201 HD21 LEU 26 3HD2 LEU 26 -3.533 7.548 5.297 202 HD22 LEU 26 1HD2 LEU 26 -3.833 5.948 4.619 203 HD23 LEU 26 2HD2 LEU 26 -4.725 7.344 4.013 204 H THR 27 H THR 27 1.914 8.441 3.910 205 HA THR 27 HA THR 27 2.327 10.528 5.850 206 HB THR 27 HB THR 27 4.465 10.668 4.098 207 HG1 THR 27 1HG THR 27 4.974 8.437 3.736 208 HG21 THR 27 3HG2 THR 27 5.599 9.207 5.827 209 HG22 THR 27 1HG2 THR 27 4.023 9.048 6.600 210 HG23 THR 27 2HG2 THR 27 4.776 10.636 6.452 211 H ALA 28 H ALA 28 2.328 10.386 2.287 212 HA ALA 28 HA ALA 28 0.909 12.778 1.942 213 HB1 ALA 28 1HB ALA 28 2.434 14.434 1.705 214 HB2 ALA 28 2HB ALA 28 3.337 13.436 2.845 215 HB3 ALA 28 3HB ALA 28 3.692 13.345 1.120 216 H LEU 29 H LEU 29 -0.035 11.251 0.474 217 HA LEU 29 HA LEU 29 1.090 9.837 -1.547 218 HB2 LEU 29 1HB LEU 29 -1.443 11.460 -1.579 219 HB3 LEU 29 2HB LEU 29 -0.993 10.353 -2.875 220 HG LEU 29 HG LEU 29 -1.577 9.618 -0.007 221 HD11 LEU 29 1HD1 LEU 29 -3.086 9.237 -2.582 222 HD12 LEU 29 2HD1 LEU 29 -3.606 10.101 -1.135 223 HD13 LEU 29 3HD1 LEU 29 -3.444 8.346 -1.103 224 HD21 LEU 29 3HD2 LEU 29 -0.130 7.948 -0.484 225 HD22 LEU 29 1HD2 LEU 29 -0.294 8.154 -2.228 226 HD23 LEU 29 2HD2 LEU 29 -1.530 7.280 -1.323 227 H HIS 30 H HIS 30 2.268 10.245 -3.300 228 HA HIS 30 HA HIS 30 2.229 12.966 -4.422 229 HB2 HIS 30 1HB HIS 30 4.590 11.251 -3.705 230 HB3 HIS 30 2HB HIS 30 4.718 12.474 -4.966 231 HD1 HIS 30 1HD HIS 30 3.387 14.865 -3.837 232 HD2 HIS 30 2HD HIS 30 5.680 12.321 -1.485 233 HE1 HIS 30 1HE HIS 30 4.089 16.237 -1.850 234 H LYS 31 H LYS 31 2.307 13.134 -6.629 235 HA LYS 31 HA LYS 31 1.801 10.669 -8.100 236 HB2 LYS 31 1HB LYS 31 1.467 13.589 -8.767 237 HB3 LYS 31 2HB LYS 31 1.298 12.329 -9.983 238 HG2 LYS 31 1HG LYS 31 -0.268 11.988 -7.503 239 HG3 LYS 31 2HG LYS 31 -0.756 13.297 -8.581 240 HD2 LYS 31 1HD LYS 31 -0.420 10.400 -9.361 241 HD3 LYS 31 2HD LYS 31 -1.957 11.222 -9.082 242 HE2 LYS 31 1HE LYS 31 -1.939 11.659 -11.273 243 HE3 LYS 31 2HE LYS 31 -0.705 12.861 -10.898 244 HZ1 LYS 31 3HZ LYS 31 0.840 11.670 -11.937 245 HZ2 LYS 31 1HZ LYS 31 -0.417 10.737 -12.580 246 HZ3 LYS 31 2HZ LYS 31 0.382 10.230 -11.177 247 H GLY 32 H GLY 32 2.658 10.948 -10.543 248 HA2 GLY 32 1HA GLY 32 5.148 12.130 -11.015 249 HA3 GLY 32 2HA GLY 32 5.440 10.508 -10.404 250 H LYS 33 H LYS 33 6.463 10.298 -12.566 251 HA LYS 33 HA LYS 33 4.466 9.345 -14.496 252 HB2 LYS 33 1HB LYS 33 6.554 11.401 -14.904 253 HB3 LYS 33 2HB LYS 33 6.406 10.197 -16.177 254 HG2 LYS 33 1HG LYS 33 3.971 10.736 -16.296 255 HG3 LYS 33 2HG LYS 33 4.272 12.065 -15.174 256 HD2 LYS 33 1HD LYS 33 5.843 11.796 -17.715 257 HD3 LYS 33 2HD LYS 33 4.255 12.567 -17.703 258 HE2 LYS 33 1HE LYS 33 4.986 14.363 -16.491 259 HE3 LYS 33 2HE LYS 33 6.247 13.438 -15.677 260 HZ1 LYS 33 3HZ LYS 33 7.010 13.410 -18.284 261 HZ2 LYS 33 1HZ LYS 33 7.632 14.431 -17.087 262 HZ3 LYS 33 2HZ LYS 33 6.385 14.970 -18.094 263 H ASP 34 H ASP 34 5.222 7.693 -15.927 264 HA ASP 34 HA ASP 34 7.643 6.320 -14.958 265 HB2 ASP 34 1HB ASP 34 6.592 4.225 -15.160 266 HB3 ASP 34 2HB ASP 34 5.368 5.253 -14.420 267 H TYR 35 H TYR 35 7.465 4.261 -16.956 268 HA TYR 35 HA TYR 35 9.046 5.322 -18.964 269 HB2 TYR 35 1HB TYR 35 8.324 3.228 -20.267 270 HB3 TYR 35 2HB TYR 35 9.112 2.986 -18.711 271 HD1 TYR 35 1HD TYR 35 5.823 3.007 -20.416 272 HD2 TYR 35 2HD TYR 35 8.009 1.858 -16.951 273 HE1 TYR 35 1HE TYR 35 3.911 1.654 -19.666 274 HE2 TYR 35 2HE TYR 35 6.103 0.501 -16.192 275 HH TYR 35 HH TYR 35 3.105 0.317 -18.093 276 H GLN 36 H GLN 36 5.557 5.070 -18.766 277 HA GLN 36 HA GLN 36 5.251 6.074 -21.490 278 HB2 GLN 36 1HB GLN 36 3.439 4.813 -19.487 279 HB3 GLN 36 2HB GLN 36 2.727 5.879 -20.692 280 HG2 GLN 36 1HG GLN 36 4.429 4.208 -22.127 281 HG3 GLN 36 2HG GLN 36 3.639 3.162 -20.949 282 HE21 GLN 36 1HE2 GLN 36 1.396 2.925 -21.010 283 HE22 GLN 36 2HE2 GLN 36 0.472 3.349 -22.407 284 H GLY 37 H GLY 37 6.268 7.638 -19.089 285 HA2 GLY 37 1HA GLY 37 5.835 9.651 -17.999 286 HA3 GLY 37 2HA GLY 37 5.609 10.158 -19.666 287 H LYS 38 H LYS 38 3.617 8.119 -17.539 288 HA LYS 38 HA LYS 38 1.606 10.131 -17.220 289 HB2 LYS 38 1HB LYS 38 1.422 8.241 -19.444 290 HB3 LYS 38 2HB LYS 38 0.011 8.205 -18.394 291 HG2 LYS 38 1HG LYS 38 -0.592 10.360 -18.899 292 HG3 LYS 38 2HG LYS 38 1.052 10.834 -19.332 293 HD2 LYS 38 1HD LYS 38 -0.658 8.938 -20.940 294 HD3 LYS 38 2HD LYS 38 -0.493 10.663 -21.277 295 HE2 LYS 38 1HE LYS 38 2.059 10.130 -21.281 296 HE3 LYS 38 2HE LYS 38 1.522 8.472 -21.548 297 HZ1 LYS 38 3HZ LYS 38 0.285 10.469 -23.246 298 HZ2 LYS 38 1HZ LYS 38 0.870 8.930 -23.632 299 HZ3 LYS 38 2HZ LYS 38 1.940 10.233 -23.505 300 HA PRO 39 HA PRO 39 0.008 6.128 -15.110 301 HB2 PRO 39 1HB PRO 39 1.174 3.766 -15.767 302 HB3 PRO 39 2HB PRO 39 -0.199 4.439 -16.654 303 HG2 PRO 39 1HG PRO 39 2.716 4.521 -17.330 304 HG3 PRO 39 2HG PRO 39 1.330 4.207 -18.390 305 HD2 PRO 39 1HD PRO 39 2.562 6.616 -18.278 306 HD3 PRO 39 2HD PRO 39 0.825 6.446 -18.603 307 H MET 40 H MET 40 1.099 7.116 -13.358 308 HA MET 40 HA MET 40 3.056 5.445 -12.110 309 HB2 MET 40 1HB MET 40 4.448 6.840 -13.662 310 HB3 MET 40 2HB MET 40 3.908 8.265 -12.783 311 HG2 MET 40 1HG MET 40 6.056 7.682 -11.966 312 HG3 MET 40 2HG MET 40 4.881 7.274 -10.718 313 HE1 MET 40 3HE MET 40 6.581 4.453 -9.574 314 HE2 MET 40 1HE MET 40 5.511 5.840 -9.373 315 HE3 MET 40 2HE MET 40 4.842 4.266 -9.804 316 H PHE 41 H PHE 41 3.329 5.905 -9.899 317 HA PHE 41 HA PHE 41 2.354 8.204 -8.607 318 HB2 PHE 41 1HB PHE 41 0.134 7.695 -8.973 319 HB3 PHE 41 2HB PHE 41 0.424 5.959 -8.986 320 HD1 PHE 41 2HD PHE 41 0.793 8.791 -6.577 321 HD2 PHE 41 1HD PHE 41 -0.503 4.793 -7.253 322 HE1 PHE 41 2HE PHE 41 0.020 8.651 -4.246 323 HE2 PHE 41 1HE PHE 41 -1.279 4.647 -4.923 324 HZ PHE 41 HZ PHE 41 -1.016 6.577 -3.415 325 H TYR 42 H TYR 42 3.010 8.252 -6.510 326 HA TYR 42 HA TYR 42 4.279 5.801 -5.488 327 HB2 TYR 42 1HB TYR 42 4.868 8.613 -4.569 328 HB3 TYR 42 2HB TYR 42 5.831 7.163 -4.309 329 HD1 TYR 42 2HD TYR 42 6.700 5.998 -6.506 330 HD2 TYR 42 1HD TYR 42 5.474 10.065 -6.264 331 HE1 TYR 42 2HE TYR 42 8.018 6.508 -8.518 332 HE2 TYR 42 1HE TYR 42 6.788 10.587 -8.277 333 HH TYR 42 HH TYR 42 7.801 9.586 -10.125 334 H VAL 43 H VAL 43 3.413 4.853 -3.772 335 HA VAL 43 HA VAL 43 1.266 6.182 -2.331 336 HB VAL 43 HB VAL 43 2.310 3.370 -1.980 337 HG11 VAL 43 1HG1 VAL 43 0.791 3.109 -0.373 338 HG12 VAL 43 2HG1 VAL 43 0.588 4.862 -0.390 339 HG13 VAL 43 3HG1 VAL 43 -0.475 3.841 -1.358 340 HG21 VAL 43 3HG2 VAL 43 -0.255 3.780 -3.345 341 HG22 VAL 43 1HG2 VAL 43 1.158 4.328 -4.247 342 HG23 VAL 43 2HG2 VAL 43 1.054 2.654 -3.702 343 H LEU 44 H LEU 44 2.253 7.686 -1.013 344 HA LEU 44 HA LEU 44 4.458 6.961 0.694 345 HB2 LEU 44 1HB LEU 44 2.764 9.429 0.428 346 HB3 LEU 44 2HB LEU 44 4.003 9.263 1.670 347 HG LEU 44 HG LEU 44 5.474 8.707 -0.508 348 HD11 LEU 44 1HD1 LEU 44 4.264 10.940 -1.797 349 HD12 LEU 44 2HD1 LEU 44 3.049 9.681 -1.578 350 HD13 LEU 44 3HD1 LEU 44 4.552 9.317 -2.426 351 HD21 LEU 44 3HD2 LEU 44 5.821 10.421 1.301 352 HD22 LEU 44 1HD2 LEU 44 4.856 11.531 0.328 353 HD23 LEU 44 2HD2 LEU 44 6.373 10.894 -0.307 354 H PHE 45 H PHE 45 4.322 6.073 2.642 355 HA PHE 45 HA PHE 45 2.048 6.604 4.362 356 HB2 PHE 45 1HB PHE 45 1.725 4.129 4.782 357 HB3 PHE 45 2HB PHE 45 1.161 4.711 3.220 358 HD1 PHE 45 2HD PHE 45 4.242 3.284 4.767 359 HD2 PHE 45 1HD PHE 45 1.693 3.476 1.364 360 HE1 PHE 45 2HE PHE 45 5.622 1.586 3.642 361 HE2 PHE 45 1HE PHE 45 3.068 1.778 0.233 362 HZ PHE 45 HZ PHE 45 5.036 0.831 1.372 363 H GLU 46 H GLU 46 2.358 5.516 6.536 364 HA GLU 46 HA GLU 46 5.225 5.548 7.206 365 HB2 GLU 46 1HB GLU 46 3.694 7.331 8.186 366 HB3 GLU 46 2HB GLU 46 2.951 6.042 9.123 367 HG2 GLU 46 1HG GLU 46 5.444 5.565 9.815 368 HG3 GLU 46 2HG GLU 46 5.647 7.259 9.372 369 H LEU 47 H LEU 47 5.272 3.264 6.589 370 HA LEU 47 HA LEU 47 3.796 1.369 8.175 371 HB2 LEU 47 1HB LEU 47 4.322 0.797 5.907 372 HB3 LEU 47 2HB LEU 47 6.041 1.058 6.192 373 HG LEU 47 HG LEU 47 5.085 -1.361 6.056 374 HD11 LEU 47 1HD1 LEU 47 7.366 -0.279 7.041 375 HD12 LEU 47 2HD1 LEU 47 7.042 -2.009 6.939 376 HD13 LEU 47 3HD1 LEU 47 6.764 -1.148 8.453 377 HD21 LEU 47 3HD2 LEU 47 4.031 -2.246 7.868 378 HD22 LEU 47 1HD2 LEU 47 3.426 -0.593 7.978 379 HD23 LEU 47 2HD2 LEU 47 4.770 -1.109 8.996 380 H THR 48 H THR 48 4.300 1.043 10.235 381 HA THR 48 HA THR 48 7.094 1.276 11.092 382 HB THR 48 HB THR 48 4.760 0.897 12.951 383 HG1 THR 48 1HG THR 48 4.438 2.727 11.469 384 HG21 THR 48 3HG2 THR 48 6.357 2.467 14.298 385 HG22 THR 48 1HG2 THR 48 7.571 1.897 13.153 386 HG23 THR 48 2HG2 THR 48 6.715 0.744 14.177 387 H ASN 49 H ASN 49 8.259 -0.513 11.267 388 HA ASN 49 HA ASN 49 7.071 -3.114 11.176 389 HB2 ASN 49 1HB ASN 49 9.296 -2.497 10.163 390 HB3 ASN 49 2HB ASN 49 9.950 -2.434 11.797 391 HD21 ASN 49 1HD2 ASN 49 11.298 -4.123 11.791 392 HD22 ASN 49 2HD2 ASN 49 10.828 -5.759 11.491 393 H THR 50 H THR 50 5.737 -2.737 13.145 394 HA THR 50 HA THR 50 6.785 -2.469 15.715 395 HB THR 50 HB THR 50 4.349 -2.331 15.077 396 HG1 THR 50 1HG THR 50 4.143 -2.455 17.171 397 HG21 THR 50 3HG2 THR 50 3.111 -4.148 14.539 398 HG22 THR 50 1HG2 THR 50 4.010 -5.213 15.618 399 HG23 THR 50 2HG2 THR 50 4.670 -4.801 14.035 400 H THR 51 H THR 51 6.879 -5.135 13.561 401 HA THR 51 HA THR 51 7.009 -7.291 15.343 402 HB THR 51 HB THR 51 7.976 -8.568 13.581 403 HG1 THR 51 1HG THR 51 9.329 -7.730 12.166 404 HG21 THR 51 3HG2 THR 51 6.293 -6.439 12.259 405 HG22 THR 51 1HG2 THR 51 5.647 -7.770 13.217 406 HG23 THR 51 2HG2 THR 51 6.515 -8.103 11.718 407 H GLU 52 H GLU 52 9.356 -8.615 14.977 408 HA GLU 52 HA GLU 52 11.419 -6.839 16.090 409 HB2 GLU 52 1HB GLU 52 10.658 -9.576 17.122 410 HB3 GLU 52 2HB GLU 52 12.060 -8.659 17.655 411 HG2 GLU 52 1HG GLU 52 10.048 -6.861 18.024 412 HG3 GLU 52 2HG GLU 52 9.244 -8.388 18.383 413 H LYS 53 H LYS 53 11.193 -7.684 13.407 414 HA LYS 53 HA LYS 53 13.576 -9.402 13.197 415 HB2 LYS 53 1HB LYS 53 11.238 -9.385 11.280 416 HB3 LYS 53 2HB LYS 53 12.673 -10.395 11.165 417 HG2 LYS 53 1HG LYS 53 10.924 -10.530 13.585 418 HG3 LYS 53 2HG LYS 53 10.486 -11.394 12.109 419 HD2 LYS 53 1HD LYS 53 12.778 -12.430 12.162 420 HD3 LYS 53 2HD LYS 53 12.983 -11.720 13.765 421 HE2 LYS 53 1HE LYS 53 12.252 -14.041 13.921 422 HE3 LYS 53 2HE LYS 53 11.026 -12.947 14.561 423 HZ1 LYS 53 3HZ LYS 53 10.547 -14.895 12.780 424 HZ2 LYS 53 1HZ LYS 53 10.738 -13.563 11.754 425 HZ3 LYS 53 2HZ LYS 53 9.573 -13.526 12.980 426 H THR 54 H THR 54 14.862 -9.053 11.260 427 HA THR 54 HA THR 54 14.677 -6.263 10.330 428 HB THR 54 HB THR 54 17.191 -7.896 10.158 429 HG1 THR 54 1HG THR 54 16.725 -7.997 12.329 430 HG21 THR 54 3HG2 THR 54 18.186 -5.598 10.439 431 HG22 THR 54 1HG2 THR 54 16.551 -4.953 10.302 432 HG23 THR 54 2HG2 THR 54 17.264 -5.839 8.955 433 H GLN 55 H GLN 55 13.478 -8.846 9.235 434 HA GLN 55 HA GLN 55 14.776 -9.503 6.825 435 HB2 GLN 55 1HB GLN 55 12.644 -10.522 6.170 436 HB3 GLN 55 2HB GLN 55 13.074 -10.942 7.823 437 HG2 GLN 55 1HG GLN 55 11.561 -8.722 8.214 438 HG3 GLN 55 2HG GLN 55 10.793 -9.426 6.792 439 HE21 GLN 55 1HE2 GLN 55 9.731 -9.162 9.463 440 HE22 GLN 55 2HE2 GLN 55 9.369 -10.760 10.012 441 H ASN 56 H ASN 56 13.266 -9.244 4.705 442 HA ASN 56 HA ASN 56 13.677 -6.691 3.751 443 HB2 ASN 56 1HB ASN 56 13.070 -8.878 2.492 444 HB3 ASN 56 2HB ASN 56 11.401 -8.366 2.725 445 HD21 ASN 56 1HD2 ASN 56 14.514 -7.286 1.460 446 HD22 ASN 56 2HD2 ASN 56 13.860 -6.289 0.209 447 H ILE 57 H ILE 57 11.872 -5.238 2.856 448 HA ILE 57 HA ILE 57 10.111 -4.578 5.097 449 HB ILE 57 HB ILE 57 10.626 -2.898 2.648 450 HG12 ILE 57 1HG1 ILE 57 11.983 -2.011 5.049 451 HG13 ILE 57 2HG1 ILE 57 12.514 -3.624 4.585 452 HG21 ILE 57 1HG2 ILE 57 8.944 -1.745 3.568 453 HG22 ILE 57 2HG2 ILE 57 9.078 -2.599 5.105 454 HG23 ILE 57 3HG2 ILE 57 10.138 -1.232 4.761 455 HD11 ILE 57 3HD1 ILE 57 12.881 -2.682 2.267 456 HD12 ILE 57 1HD1 ILE 57 12.665 -1.089 2.992 457 HD13 ILE 57 2HD1 ILE 57 13.982 -2.132 3.530 458 H GLN 58 H GLN 58 9.942 -4.771 1.539 459 HA GLN 58 HA GLN 58 7.227 -4.450 1.210 460 HB2 GLN 58 1HB GLN 58 8.507 -4.502 -0.753 461 HB3 GLN 58 2HB GLN 58 9.267 -6.030 -0.327 462 HG2 GLN 58 1HG GLN 58 7.118 -7.171 -0.676 463 HG3 GLN 58 2HG GLN 58 6.403 -5.636 -1.165 464 HE21 GLN 58 1HE2 GLN 58 8.453 -4.587 -2.680 465 HE22 GLN 58 2HE2 GLN 58 8.669 -5.554 -4.095 466 H LEU 59 H LEU 59 8.938 -7.151 2.518 467 HA LEU 59 HA LEU 59 7.165 -9.240 2.093 468 HB2 LEU 59 1HB LEU 59 9.407 -8.701 3.768 469 HB3 LEU 59 2HB LEU 59 8.150 -9.463 4.741 470 HG LEU 59 HG LEU 59 9.011 -10.675 2.138 471 HD11 LEU 59 1HD1 LEU 59 11.084 -10.437 3.261 472 HD12 LEU 59 2HD1 LEU 59 10.556 -12.099 3.519 473 HD13 LEU 59 3HD1 LEU 59 10.379 -10.909 4.807 474 HD21 LEU 59 3HD2 LEU 59 7.238 -11.905 2.815 475 HD22 LEU 59 1HD2 LEU 59 7.430 -11.453 4.509 476 HD23 LEU 59 2HD2 LEU 59 8.461 -12.700 3.807 477 H MET 60 H MET 60 6.819 -6.444 4.066 478 HA MET 60 HA MET 60 4.564 -7.615 5.522 479 HB2 MET 60 1HB MET 60 5.746 -4.865 5.895 480 HB3 MET 60 2HB MET 60 4.688 -5.736 6.996 481 HG2 MET 60 1HG MET 60 6.960 -7.354 6.558 482 HG3 MET 60 2HG MET 60 7.527 -5.717 6.878 483 HE1 MET 60 3HE MET 60 5.750 -4.398 8.362 484 HE2 MET 60 1HE MET 60 4.852 -5.114 9.701 485 HE3 MET 60 2HE MET 60 6.517 -4.583 9.940 486 H ILE 61 H ILE 61 5.326 -4.677 3.651 487 HA ILE 61 HA ILE 61 2.814 -3.581 3.464 488 HB ILE 61 HB ILE 61 4.964 -3.640 1.346 489 HG12 ILE 61 1HG1 ILE 61 5.647 -2.618 3.473 490 HG13 ILE 61 2HG1 ILE 61 5.517 -1.408 2.202 491 HG21 ILE 61 1HG2 ILE 61 3.313 -2.877 0.020 492 HG22 ILE 61 2HG2 ILE 61 2.281 -2.439 1.380 493 HG23 ILE 61 3HG2 ILE 61 3.584 -1.362 0.880 494 HD11 ILE 61 3HD1 ILE 61 3.311 -0.768 3.077 495 HD12 ILE 61 1HD1 ILE 61 3.514 -1.935 4.383 496 HD13 ILE 61 2HD1 ILE 61 4.604 -0.554 4.257 497 H GLN 62 H GLN 62 4.258 -6.003 1.295 498 HA GLN 62 HA GLN 62 2.150 -6.258 -0.496 499 HB2 GLN 62 1HB GLN 62 4.435 -7.935 0.336 500 HB3 GLN 62 2HB GLN 62 3.105 -8.793 -0.431 501 HG2 GLN 62 1HG GLN 62 3.255 -7.160 -2.318 502 HG3 GLN 62 2HG GLN 62 4.724 -6.533 -1.572 503 HE21 GLN 62 1HE2 GLN 62 5.976 -8.773 -0.724 504 HE22 GLN 62 2HE2 GLN 62 6.393 -9.776 -2.067 505 H SER 63 H SER 63 2.544 -7.558 2.722 506 HA SER 63 HA SER 63 0.113 -9.162 2.450 507 HB2 SER 63 1HB SER 63 2.350 -9.900 3.623 508 HB3 SER 63 2HB SER 63 1.695 -8.999 4.989 509 HG SER 63 HG SER 63 0.306 -11.054 3.611 510 H PHE 64 H PHE 64 0.801 -6.053 3.088 511 HA PHE 64 HA PHE 64 -1.267 -5.774 5.160 512 HB2 PHE 64 1HB PHE 64 1.154 -4.196 4.452 513 HB3 PHE 64 2HB PHE 64 -0.240 -3.307 5.057 514 HD1 PHE 64 2HD PHE 64 -1.372 -4.855 7.120 515 HD2 PHE 64 1HD PHE 64 2.736 -4.462 6.081 516 HE1 PHE 64 2HE PHE 64 -0.738 -5.429 9.427 517 HE2 PHE 64 1HE PHE 64 3.378 -5.037 8.386 518 HZ PHE 64 HZ PHE 64 1.640 -5.520 10.062 519 H MET 65 H MET 65 -0.112 -3.559 2.633 520 HA MET 65 HA MET 65 -2.853 -2.812 2.044 521 HB2 MET 65 1HB MET 65 -0.380 -1.490 1.973 522 HB3 MET 65 2HB MET 65 -0.889 -1.615 0.294 523 HG2 MET 65 1HG MET 65 -3.150 -0.820 1.766 524 HG3 MET 65 2HG MET 65 -1.800 0.161 2.332 525 HE1 MET 65 3HE MET 65 -0.503 1.583 -1.149 526 HE2 MET 65 1HE MET 65 -0.143 1.432 0.571 527 HE3 MET 65 2HE MET 65 -0.057 0.015 -0.475 528 H GLU 66 H GLU 66 -4.006 -3.465 0.334 529 HA GLU 66 HA GLU 66 -2.603 -4.885 -1.830 530 HB2 GLU 66 1HB GLU 66 -3.670 -6.577 -0.514 531 HB3 GLU 66 2HB GLU 66 -5.167 -5.659 -0.442 532 HG2 GLU 66 1HG GLU 66 -5.806 -6.258 -2.541 533 HG3 GLU 66 2HG GLU 66 -4.149 -6.436 -3.116 534 H VAL 67 H VAL 67 -2.668 -2.874 -2.982 535 HA VAL 67 HA VAL 67 -5.194 -1.663 -3.632 536 HB VAL 67 HB VAL 67 -3.351 -0.176 -3.567 537 HG11 VAL 67 1HG1 VAL 67 -1.991 -2.280 -5.169 538 HG12 VAL 67 2HG1 VAL 67 -1.490 -0.603 -5.391 539 HG13 VAL 67 3HG1 VAL 67 -1.401 -1.347 -3.794 540 HG21 VAL 67 3HG2 VAL 67 -4.976 0.215 -5.383 541 HG22 VAL 67 1HG2 VAL 67 -3.365 0.816 -5.775 542 HG23 VAL 67 2HG2 VAL 67 -3.939 -0.695 -6.481 543 H SER 68 H SER 68 -6.339 -1.789 -5.522 544 HA SER 68 HA SER 68 -5.338 -3.443 -7.701 545 HB2 SER 68 1HB SER 68 -7.797 -4.509 -7.603 546 HB3 SER 68 2HB SER 68 -6.422 -5.230 -6.766 547 HG SER 68 HG SER 68 -7.622 -4.996 -5.059 548 H GLN 69 H GLN 69 -6.669 -3.289 -9.642 549 HA GLN 69 HA GLN 69 -8.702 -1.236 -9.733 550 HB2 GLN 69 1HB GLN 69 -6.003 -0.872 -11.021 551 HB3 GLN 69 2HB GLN 69 -7.433 -0.024 -11.593 552 HG2 GLN 69 1HG GLN 69 -7.705 0.857 -9.249 553 HG3 GLN 69 2HG GLN 69 -6.103 0.202 -8.911 554 HE21 GLN 69 1HE2 GLN 69 -7.769 2.238 -11.290 555 HE22 GLN 69 2HE2 GLN 69 -6.482 3.375 -11.474 556 H THR 70 H THR 70 -10.062 -1.453 -11.461 557 HA THR 70 HA THR 70 -10.328 -3.883 -12.727 558 HB THR 70 HB THR 70 -11.246 -1.490 -14.241 559 HG1 THR 70 1HG THR 70 -12.613 -0.840 -12.679 560 HG21 THR 70 3HG2 THR 70 -12.436 -4.122 -13.390 561 HG22 THR 70 1HG2 THR 70 -12.041 -3.583 -15.021 562 HG23 THR 70 2HG2 THR 70 -13.387 -2.847 -14.150 563 H VAL 71 H VAL 71 -9.138 -4.889 -14.197 564 HA VAL 71 HA VAL 71 -7.874 -3.324 -16.332 565 HB VAL 71 HB VAL 71 -6.187 -3.810 -14.539 566 HG11 VAL 71 1HG1 VAL 71 -6.500 -6.668 -15.446 567 HG12 VAL 71 2HG1 VAL 71 -5.380 -6.053 -14.229 568 HG13 VAL 71 3HG1 VAL 71 -7.117 -6.030 -13.923 569 HG21 VAL 71 3HG2 VAL 71 -5.809 -4.966 -17.294 570 HG22 VAL 71 1HG2 VAL 71 -5.385 -3.350 -16.728 571 HG23 VAL 71 2HG2 VAL 71 -4.490 -4.753 -16.142 572 H HIS 72 H HIS 72 -8.117 -4.199 -18.295 573 HA HIS 72 HA HIS 72 -8.726 -5.632 -19.954 574 HB2 HIS 72 1HB HIS 72 -7.140 -7.167 -18.138 575 HB3 HIS 72 2HB HIS 72 -8.440 -8.188 -18.745 576 HD1 HIS 72 1HD HIS 72 -8.382 -8.829 -21.229 577 HD2 HIS 72 2HD HIS 72 -5.265 -6.339 -20.069 578 HE1 HIS 72 1HE HIS 72 -6.750 -8.859 -23.142 579 H GLY 73 H GLY 73 -10.555 -4.930 -17.574 580 HA2 GLY 73 1HA GLY 73 -12.905 -5.151 -17.570 581 HA3 GLY 73 2HA GLY 73 -12.741 -6.658 -18.459 582 H LYS 74 H LYS 74 -10.605 -6.399 -15.837 583 HA LYS 74 HA LYS 74 -12.411 -7.479 -13.858 584 HB2 LYS 74 1HB LYS 74 -10.411 -9.174 -15.303 585 HB3 LYS 74 2HB LYS 74 -10.746 -9.496 -13.607 586 HG2 LYS 74 1HG LYS 74 -13.254 -9.263 -14.767 587 HG3 LYS 74 2HG LYS 74 -12.295 -10.151 -15.954 588 HD2 LYS 74 1HD LYS 74 -11.573 -11.669 -14.089 589 HD3 LYS 74 2HD LYS 74 -12.759 -10.860 -13.061 590 HE2 LYS 74 1HE LYS 74 -14.003 -11.613 -15.520 591 HE3 LYS 74 2HE LYS 74 -13.166 -13.011 -14.848 592 HZ1 LYS 74 3HZ LYS 74 -14.448 -11.817 -12.723 593 HZ2 LYS 74 1HZ LYS 74 -14.891 -13.253 -13.500 594 HZ3 LYS 74 2HZ LYS 74 -15.574 -11.784 -13.985 595 H ALA 75 H ALA 75 -11.638 -7.279 -11.786 596 HA ALA 75 HA ALA 75 -9.756 -5.356 -11.198 597 HB1 ALA 75 1HB ALA 75 -10.538 -7.683 -9.445 598 HB2 ALA 75 2HB ALA 75 -9.814 -6.167 -8.908 599 HB3 ALA 75 3HB ALA 75 -11.433 -6.171 -9.605 600 H GLN 76 H GLN 76 -7.734 -5.725 -9.838 601 HA GLN 76 HA GLN 76 -6.204 -8.064 -10.072 602 HB2 GLN 76 1HB GLN 76 -6.047 -7.696 -12.412 603 HB3 GLN 76 2HB GLN 76 -5.744 -5.977 -12.195 604 HG2 GLN 76 1HG GLN 76 -3.550 -6.337 -11.472 605 HG3 GLN 76 2HG GLN 76 -3.839 -8.050 -11.171 606 HE21 GLN 76 1HE2 GLN 76 -2.929 -5.677 -13.455 607 HE22 GLN 76 2HE2 GLN 76 -2.658 -6.738 -14.791 608 H ASN 77 H ASN 77 -4.449 -7.961 -8.764 609 HA ASN 77 HA ASN 77 -4.158 -5.708 -7.065 610 HB2 ASN 77 1HB ASN 77 -2.634 -8.279 -7.403 611 HB3 ASN 77 2HB ASN 77 -2.063 -7.028 -6.303 612 HD21 ASN 77 1HD2 ASN 77 -5.355 -8.067 -7.058 613 HD22 ASN 77 2HD2 ASN 77 -5.764 -8.537 -5.446 614 H LEU 78 H LEU 78 -3.014 -3.920 -7.362 615 HA LEU 78 HA LEU 78 -1.324 -3.626 -9.670 616 HB2 LEU 78 1HB LEU 78 -1.837 -1.709 -7.400 617 HB3 LEU 78 2HB LEU 78 -1.074 -1.317 -8.940 618 HG LEU 78 HG LEU 78 -3.957 -2.057 -8.464 619 HD11 LEU 78 1HD1 LEU 78 -4.233 0.133 -8.267 620 HD12 LEU 78 2HD1 LEU 78 -3.656 0.325 -9.921 621 HD13 LEU 78 3HD1 LEU 78 -2.520 0.416 -8.575 622 HD21 LEU 78 3HD2 LEU 78 -3.030 -3.079 -10.540 623 HD22 LEU 78 1HD2 LEU 78 -2.621 -1.456 -11.098 624 HD23 LEU 78 2HD2 LEU 78 -4.308 -1.896 -10.827 625 H GLN 79 H GLN 79 0.723 -4.251 -9.715 626 HA GLN 79 HA GLN 79 2.228 -4.434 -7.211 627 HB2 GLN 79 1HB GLN 79 2.737 -5.562 -9.964 628 HB3 GLN 79 2HB GLN 79 3.884 -5.692 -8.637 629 HG2 GLN 79 1HG GLN 79 2.365 -7.014 -7.359 630 HG3 GLN 79 2HG GLN 79 1.067 -6.734 -8.518 631 HE21 GLN 79 1HE2 GLN 79 0.947 -7.958 -10.335 632 HE22 GLN 79 2HE2 GLN 79 1.998 -9.287 -10.671 633 H TYR 80 H TYR 80 4.733 -4.067 -7.706 634 HA TYR 80 HA TYR 80 5.169 -1.357 -7.837 635 HB2 TYR 80 1HB TYR 80 6.811 -3.008 -7.000 636 HB3 TYR 80 2HB TYR 80 7.128 -3.513 -8.656 637 HD1 TYR 80 1HD TYR 80 7.184 -0.471 -6.494 638 HD2 TYR 80 2HD TYR 80 8.853 -2.507 -9.837 639 HE1 TYR 80 1HE TYR 80 8.907 1.273 -6.688 640 HE2 TYR 80 2HE TYR 80 10.581 -0.769 -10.040 641 HH TYR 80 HH TYR 80 10.455 2.083 -8.966 642 H ALA 81 H ALA 81 4.951 0.073 -9.412 643 HA ALA 81 HA ALA 81 4.731 -0.782 -12.166 644 HB1 ALA 81 1HB ALA 81 4.329 1.821 -10.739 645 HB2 ALA 81 2HB ALA 81 4.403 1.754 -12.500 646 HB3 ALA 81 3HB ALA 81 3.162 0.848 -11.635 647 H VAL 82 H VAL 82 6.294 -0.725 -13.647 648 HA VAL 82 HA VAL 82 8.958 -0.030 -12.951 649 HB VAL 82 HB VAL 82 7.805 -0.574 -15.691 650 HG11 VAL 82 1HG1 VAL 82 10.218 -1.270 -16.130 651 HG12 VAL 82 2HG1 VAL 82 9.887 0.460 -16.023 652 HG13 VAL 82 3HG1 VAL 82 10.619 -0.385 -14.659 653 HG21 VAL 82 3HG2 VAL 82 9.005 -2.404 -13.621 654 HG22 VAL 82 1HG2 VAL 82 7.382 -2.467 -14.308 655 HG23 VAL 82 2HG2 VAL 82 8.780 -2.857 -15.310 656 H LEU 83 H LEU 83 10.218 1.696 -13.555 657 HA LEU 83 HA LEU 83 9.067 3.809 -15.193 658 HB2 LEU 83 1HB LEU 83 9.694 5.516 -13.462 659 HB3 LEU 83 2HB LEU 83 8.288 4.522 -13.085 660 HG LEU 83 HG LEU 83 10.172 3.109 -11.807 661 HD11 LEU 83 1HD1 LEU 83 11.324 5.349 -10.671 662 HD12 LEU 83 2HD1 LEU 83 11.402 5.665 -12.404 663 HD13 LEU 83 3HD1 LEU 83 12.114 4.193 -11.743 664 HD21 LEU 83 3HD2 LEU 83 8.249 3.751 -10.654 665 HD22 LEU 83 1HD2 LEU 83 8.553 5.469 -10.912 666 HD23 LEU 83 2HD2 LEU 83 9.553 4.557 -9.780 667 H THR 84 H THR 84 10.589 5.160 -16.138 668 HA THR 84 HA THR 84 13.203 4.063 -16.432 669 HB THR 84 HB THR 84 13.625 6.179 -17.779 670 HG1 THR 84 1HG THR 84 12.142 7.688 -17.748 671 HG21 THR 84 3HG2 THR 84 11.963 5.492 -19.575 672 HG22 THR 84 1HG2 THR 84 11.359 4.303 -18.423 673 HG23 THR 84 2HG2 THR 84 13.032 4.225 -18.975 674 H ASP 85 H ASP 85 11.813 6.551 -14.452 675 HA ASP 85 HA ASP 85 14.015 6.698 -12.728 676 HB2 ASP 85 1HB ASP 85 14.673 8.024 -14.972 677 HB3 ASP 85 2HB ASP 85 13.843 9.319 -14.113 678 H SER 86 H SER 86 13.537 7.829 -10.870 679 HA SER 86 HA SER 86 11.164 9.531 -10.835 680 HB2 SER 86 1HB SER 86 11.487 7.036 -9.156 681 HB3 SER 86 2HB SER 86 10.297 8.293 -8.821 682 HG SER 86 HG SER 86 9.084 7.374 -10.253 683 HA PRO 87 HA PRO 87 13.591 11.900 -8.037 684 HB2 PRO 87 1HB PRO 87 11.618 13.244 -6.744 685 HB3 PRO 87 2HB PRO 87 12.095 13.604 -8.408 686 HG2 PRO 87 1HG PRO 87 9.791 11.975 -7.408 687 HG3 PRO 87 2HG PRO 87 9.833 13.167 -8.721 688 HD2 PRO 87 1HD PRO 87 9.911 10.498 -9.173 689 HD3 PRO 87 2HD PRO 87 10.737 11.669 -10.221 690 H PHE 88 H PHE 88 11.036 9.827 -6.855 691 HA PHE 88 HA PHE 88 12.004 9.996 -4.112 692 HB2 PHE 88 1HB PHE 88 9.580 8.899 -5.444 693 HB3 PHE 88 2HB PHE 88 10.090 8.137 -3.941 694 HD1 PHE 88 2HD PHE 88 9.359 11.482 -5.400 695 HD2 PHE 88 1HD PHE 88 9.412 9.028 -1.923 696 HE1 PHE 88 2HE PHE 88 8.257 13.273 -4.124 697 HE2 PHE 88 1HE PHE 88 8.308 10.815 -0.641 698 HZ PHE 88 HZ PHE 88 7.730 12.941 -1.741 699 H GLN 89 H GLN 89 13.852 8.947 -5.946 700 HA GLN 89 HA GLN 89 13.858 6.133 -6.071 701 HB2 GLN 89 1HB GLN 89 15.405 8.116 -7.133 702 HB3 GLN 89 2HB GLN 89 16.493 7.437 -5.929 703 HG2 GLN 89 1HG GLN 89 15.122 5.914 -8.134 704 HG3 GLN 89 2HG GLN 89 16.816 6.400 -8.100 705 HE21 GLN 89 1HE2 GLN 89 14.514 4.084 -7.141 706 HE22 GLN 89 2HE2 GLN 89 15.576 3.052 -6.251 707 H ASP 90 H ASP 90 14.486 8.297 -3.503 708 HA ASP 90 HA ASP 90 16.240 6.626 -1.990 709 HB2 ASP 90 1HB ASP 90 15.328 9.257 -1.807 710 HB3 ASP 90 2HB ASP 90 14.664 8.461 -0.383 711 H LYS 91 H LYS 91 12.798 7.472 -1.584 712 HA LYS 91 HA LYS 91 12.317 5.587 0.462 713 HB2 LYS 91 1HB LYS 91 10.231 6.629 -1.446 714 HB3 LYS 91 2HB LYS 91 10.017 6.127 0.226 715 HG2 LYS 91 1HG LYS 91 11.679 8.088 0.711 716 HG3 LYS 91 2HG LYS 91 11.135 8.661 -0.867 717 HD2 LYS 91 1HD LYS 91 9.549 9.664 0.413 718 HD3 LYS 91 2HD LYS 91 8.758 8.099 0.209 719 HE2 LYS 91 1HE LYS 91 8.727 7.878 2.419 720 HE3 LYS 91 2HE LYS 91 10.489 7.828 2.406 721 HZ1 LYS 91 3HZ LYS 91 10.222 9.613 3.735 722 HZ2 LYS 91 1HZ LYS 91 8.699 10.009 3.114 723 HZ3 LYS 91 2HZ LYS 91 10.097 10.441 2.265 724 H LEU 92 H LEU 92 12.355 5.357 -3.004 725 HA LEU 92 HA LEU 92 10.834 3.001 -3.301 726 HB2 LEU 92 1HB LEU 92 12.934 4.346 -4.958 727 HB3 LEU 92 2HB LEU 92 12.283 2.779 -5.431 728 HG LEU 92 HG LEU 92 10.686 5.317 -5.093 729 HD11 LEU 92 1HD1 LEU 92 11.921 3.963 -7.445 730 HD12 LEU 92 2HD1 LEU 92 11.826 5.680 -7.055 731 HD13 LEU 92 3HD1 LEU 92 10.396 4.828 -7.640 732 HD21 LEU 92 3HD2 LEU 92 8.860 4.058 -5.110 733 HD22 LEU 92 1HD2 LEU 92 9.875 2.618 -5.025 734 HD23 LEU 92 2HD2 LEU 92 9.387 3.262 -6.593 735 H ASP 93 H ASP 93 13.977 3.555 -2.073 736 HA ASP 93 HA ASP 93 14.971 0.894 -2.595 737 HB2 ASP 93 1HB ASP 93 16.055 3.399 -1.644 738 HB3 ASP 93 2HB ASP 93 16.539 2.075 -0.588 739 H ARG 94 H ARG 94 12.653 1.975 -0.602 740 HA ARG 94 HA ARG 94 13.416 0.426 1.746 741 HB2 ARG 94 1HB ARG 94 10.836 1.921 1.279 742 HB3 ARG 94 2HB ARG 94 11.491 1.371 2.815 743 HG2 ARG 94 1HG ARG 94 12.797 3.443 1.067 744 HG3 ARG 94 2HG ARG 94 11.723 3.809 2.419 745 HD2 ARG 94 1HD ARG 94 13.319 3.412 3.936 746 HD3 ARG 94 2HD ARG 94 13.860 1.951 3.111 747 HE ARG 94 HE ARG 94 14.818 3.923 1.537 748 HH11 ARG 94 1HH1 ARG 94 15.005 3.310 4.959 749 HH12 ARG 94 2HH1 ARG 94 16.548 4.075 5.144 750 HH21 ARG 94 1HH2 ARG 94 16.850 4.933 1.768 751 HH22 ARG 94 2HH2 ARG 94 17.596 4.999 3.328 752 H LEU 95 H LEU 95 12.728 -0.739 -0.958 753 HA LEU 95 HA LEU 95 10.580 -2.538 -0.045 754 HB2 LEU 95 1HB LEU 95 11.249 -2.010 -2.924 755 HB3 LEU 95 2HB LEU 95 9.812 -2.785 -2.260 756 HG LEU 95 HG LEU 95 10.508 0.147 -2.131 757 HD11 LEU 95 1HD1 LEU 95 7.965 -0.451 -3.266 758 HD12 LEU 95 2HD1 LEU 95 9.196 -1.411 -4.085 759 HD13 LEU 95 3HD1 LEU 95 9.353 0.344 -4.010 760 HD21 LEU 95 3HD2 LEU 95 8.348 -1.459 -0.810 761 HD22 LEU 95 1HD2 LEU 95 8.124 0.249 -1.187 762 HD23 LEU 95 2HD2 LEU 95 9.423 -0.251 -0.105 763 H ALA 96 H ALA 96 13.746 -2.226 -1.437 764 HA ALA 96 HA ALA 96 13.986 -5.158 -1.574 765 HB1 ALA 96 1HB ALA 96 14.419 -3.860 -3.670 766 HB2 ALA 96 2HB ALA 96 15.813 -3.141 -2.863 767 HB3 ALA 96 3HB ALA 96 15.757 -4.881 -3.144 768 H ASP 97 H ASP 97 14.279 -3.204 0.758 769 HA ASP 97 HA ASP 97 16.926 -4.164 1.622 770 HB2 ASP 97 1HB ASP 97 16.356 -1.532 1.174 771 HB3 ASP 97 2HB ASP 97 15.968 -1.682 2.886 772 H GLU 98 H GLU 98 16.887 -3.416 4.233 773 HA GLU 98 HA GLU 98 14.839 -5.193 5.308 774 HB2 GLU 98 1HB GLU 98 17.254 -3.952 6.639 775 HB3 GLU 98 2HB GLU 98 16.178 -5.131 7.375 776 HG2 GLU 98 1HG GLU 98 16.950 -6.861 6.057 777 HG3 GLU 98 2HG GLU 98 17.567 -5.774 4.814 778 H ILE 99 H ILE 99 14.137 -4.506 7.652 779 HA ILE 99 HA ILE 99 13.169 -1.728 7.471 780 HB ILE 99 HB ILE 99 11.458 -2.886 9.237 781 HG12 ILE 99 1HG1 ILE 99 10.733 -5.029 8.145 782 HG13 ILE 99 2HG1 ILE 99 12.208 -4.978 7.186 783 HG21 ILE 99 1HG2 ILE 99 9.890 -2.337 7.708 784 HG22 ILE 99 2HG2 ILE 99 11.265 -1.602 6.886 785 HG23 ILE 99 3HG2 ILE 99 10.702 -3.202 6.404 786 HD11 ILE 99 3HD1 ILE 99 12.744 -4.694 10.015 787 HD12 ILE 99 1HD1 ILE 99 11.880 -6.185 9.642 788 HD13 ILE 99 2HD1 ILE 99 13.411 -5.830 8.842 789 H ASN 100 H ASN 100 12.388 -0.998 9.786 790 HA ASN 100 HA ASN 100 14.623 -1.529 11.630 791 HB2 ASN 100 1HB ASN 100 12.982 0.977 11.218 792 HB3 ASN 100 2HB ASN 100 14.114 0.761 12.549 793 HD21 ASN 100 1HD2 ASN 100 16.183 -0.526 11.305 794 HD22 ASN 100 2HD2 ASN 100 16.898 0.522 10.133 795 HA PRO 101 HA PRO 101 10.969 -3.213 13.818 796 HB2 PRO 101 1HB PRO 101 12.391 -5.087 15.173 797 HB3 PRO 101 2HB PRO 101 11.804 -5.333 13.524 798 HG2 PRO 101 1HG PRO 101 14.531 -4.532 14.463 799 HG3 PRO 101 2HG PRO 101 14.079 -5.693 13.202 800 HD2 PRO 101 1HD PRO 101 14.894 -3.174 12.638 801 HD3 PRO 101 2HD PRO 101 13.713 -4.042 11.636 802 H GLY 102 H GLY 102 10.615 -1.437 15.148 803 HA2 GLY 102 1HA GLY 102 10.532 -1.075 17.583 804 HA3 GLY 102 2HA GLY 102 12.264 -1.371 17.601 805 H GLU 103 H GLU 103 11.496 0.363 14.864 806 HA GLU 103 HA GLU 103 12.053 2.920 16.220 807 HB2 GLU 103 1HB GLU 103 13.979 1.996 14.900 808 HB3 GLU 103 2HB GLU 103 12.986 2.137 13.456 809 HG2 GLU 103 1HG GLU 103 13.132 4.409 13.401 810 HG3 GLU 103 2HG GLU 103 13.336 4.549 15.147 811 H THR 104 H THR 104 11.364 4.845 14.966 812 HA THR 104 HA THR 104 8.796 4.306 13.635 813 HB THR 104 HB THR 104 8.416 5.621 15.578 814 HG1 THR 104 1HG THR 104 7.200 6.477 13.958 815 HG21 THR 104 3HG2 THR 104 10.981 6.784 14.889 816 HG22 THR 104 1HG2 THR 104 10.141 6.754 16.438 817 HG23 THR 104 2HG2 THR 104 9.782 8.021 15.265 818 H ILE 105 H ILE 105 8.969 4.379 11.491 819 HA ILE 105 HA ILE 105 10.194 6.724 10.264 820 HB ILE 105 HB ILE 105 11.510 5.488 8.689 821 HG12 ILE 105 1HG1 ILE 105 11.593 2.853 9.546 822 HG13 ILE 105 2HG1 ILE 105 9.882 3.256 9.637 823 HG21 ILE 105 1HG2 ILE 105 12.141 4.217 11.334 824 HG22 ILE 105 2HG2 ILE 105 13.252 4.760 10.077 825 HG23 ILE 105 3HG2 ILE 105 12.374 5.942 11.048 826 HD11 ILE 105 3HD1 ILE 105 9.692 2.995 7.455 827 HD12 ILE 105 1HD1 ILE 105 10.915 4.235 7.176 828 HD13 ILE 105 2HD1 ILE 105 11.396 2.549 7.371 829 H GLN 106 H GLN 106 9.985 6.156 7.653 830 HA GLN 106 HA GLN 106 7.396 4.983 7.082 831 HB2 GLN 106 1HB GLN 106 6.560 7.032 5.962 832 HB3 GLN 106 2HB GLN 106 6.729 7.219 7.702 833 HG2 GLN 106 1HG GLN 106 9.128 8.122 6.923 834 HG3 GLN 106 2HG GLN 106 8.173 8.543 5.502 835 HE21 GLN 106 1HE2 GLN 106 7.716 8.600 9.025 836 HE22 GLN 106 2HE2 GLN 106 7.122 10.220 9.092 837 H GLY 107 H GLY 107 6.925 5.648 4.576 838 HA2 GLY 107 1HA GLY 107 9.129 5.968 2.857 839 HA3 GLY 107 2HA GLY 107 8.849 4.248 3.090 840 H ALA 108 H ALA 108 8.612 4.843 0.611 841 HA ALA 108 HA ALA 108 5.757 5.358 0.091 842 HB1 ALA 108 1HB ALA 108 8.175 5.821 -1.640 843 HB2 ALA 108 2HB ALA 108 6.520 5.894 -2.245 844 HB3 ALA 108 3HB ALA 108 7.053 7.021 -0.998 845 H TYR 109 H TYR 109 5.229 4.321 -2.227 846 HA TYR 109 HA TYR 109 6.398 1.860 -2.910 847 HB2 TYR 109 1HB TYR 109 5.249 1.447 -0.582 848 HB3 TYR 109 2HB TYR 109 3.778 1.371 -1.545 849 HD1 TYR 109 2HD TYR 109 4.827 0.042 -3.996 850 HD2 TYR 109 1HD TYR 109 5.538 -0.768 0.120 851 HE1 TYR 109 2HE TYR 109 5.306 -2.307 -4.547 852 HE2 TYR 109 1HE TYR 109 6.021 -3.118 -0.420 853 HH TYR 109 HH TYR 109 5.276 -4.510 -3.399 854 HA PRO 110 HA PRO 110 3.535 3.652 -6.017 855 HB2 PRO 110 1HB PRO 110 5.177 3.152 -8.120 856 HB3 PRO 110 2HB PRO 110 5.325 4.593 -7.107 857 HG2 PRO 110 1HG PRO 110 6.890 2.043 -7.012 858 HG3 PRO 110 2HG PRO 110 7.466 3.715 -6.877 859 HD2 PRO 110 1HD PRO 110 7.107 2.119 -4.720 860 HD3 PRO 110 2HD PRO 110 6.863 3.876 -4.658 861 H TYR 111 H TYR 111 2.272 2.622 -7.587 862 HA TYR 111 HA TYR 111 2.733 -0.246 -8.001 863 HB2 TYR 111 1HB TYR 111 0.125 0.995 -7.104 864 HB3 TYR 111 2HB TYR 111 0.303 -0.670 -7.648 865 HD1 TYR 111 2HD TYR 111 2.313 -1.950 -6.367 866 HD2 TYR 111 1HD TYR 111 0.079 1.328 -4.829 867 HE1 TYR 111 2HE TYR 111 2.886 -2.641 -4.077 868 HE2 TYR 111 1HE TYR 111 0.647 0.647 -2.535 869 HH TYR 111 HH TYR 111 1.365 -1.855 -1.483 870 H GLU 112 H GLU 112 0.725 -0.971 -9.553 871 HA GLU 112 HA GLU 112 1.300 0.207 -12.043 872 HB2 GLU 112 1HB GLU 112 -0.349 -1.965 -11.039 873 HB3 GLU 112 2HB GLU 112 -1.131 -1.113 -12.362 874 HG2 GLU 112 1HG GLU 112 0.991 -1.409 -13.671 875 HG3 GLU 112 2HG GLU 112 1.546 -2.475 -12.381 876 H PHE 113 H PHE 113 0.649 2.100 -12.796 877 HA PHE 113 HA PHE 113 -1.857 3.249 -11.783 878 HB2 PHE 113 1HB PHE 113 0.564 4.403 -11.797 879 HB3 PHE 113 2HB PHE 113 0.018 4.894 -13.398 880 HD1 PHE 113 2HD PHE 113 -1.482 4.650 -9.985 881 HD2 PHE 113 1HD PHE 113 -0.873 6.995 -13.484 882 HE1 PHE 113 2HE PHE 113 -2.774 6.485 -8.976 883 HE2 PHE 113 1HE PHE 113 -2.162 8.835 -12.480 884 HZ PHE 113 HZ PHE 113 -3.116 8.581 -10.224 885 H ILE 114 H ILE 114 -1.008 1.384 -14.229 886 HA ILE 114 HA ILE 114 -1.582 2.499 -16.637 887 HB ILE 114 HB ILE 114 -2.617 -0.164 -15.657 888 HG12 ILE 114 1HG1 ILE 114 -0.221 0.139 -17.406 889 HG13 ILE 114 2HG1 ILE 114 -0.046 0.522 -15.697 890 HG21 ILE 114 1HG2 ILE 114 -2.526 -0.738 -18.109 891 HG22 ILE 114 2HG2 ILE 114 -3.805 0.378 -17.633 892 HG23 ILE 114 3HG2 ILE 114 -2.352 0.988 -18.423 893 HD11 ILE 114 3HD1 ILE 114 -0.496 -2.079 -17.027 894 HD12 ILE 114 1HD1 ILE 114 0.506 -1.670 -15.635 895 HD13 ILE 114 2HD1 ILE 114 -1.240 -1.832 -15.448 896 H ASN 115 H ASN 115 -3.885 1.673 -14.105 897 HA ASN 115 HA ASN 115 -6.136 2.497 -15.756 898 HB2 ASN 115 1HB ASN 115 -5.899 1.302 -13.001 899 HB3 ASN 115 2HB ASN 115 -7.425 1.944 -13.600 900 HD21 ASN 115 1HD2 ASN 115 -7.544 1.178 -16.142 901 HD22 ASN 115 2HD2 ASN 115 -7.512 -0.544 -16.280 902 H GLU 116 H GLU 116 -4.420 4.586 -15.411 903 HA GLU 116 HA GLU 116 -4.881 6.220 -13.178 904 HB2 GLU 116 1HB GLU 116 -4.004 8.046 -14.542 905 HB3 GLU 116 2HB GLU 116 -3.036 6.593 -14.751 906 HG2 GLU 116 1HG GLU 116 -3.220 7.080 -16.926 907 HG3 GLU 116 2HG GLU 116 -4.793 6.299 -16.774 908 H ASN 117 H ASN 117 -6.630 5.850 -16.207 909 HA ASN 117 HA ASN 117 -8.345 8.085 -15.859 910 HB2 ASN 117 1HB ASN 117 -9.791 6.777 -17.551 911 HB3 ASN 117 2HB ASN 117 -8.192 7.308 -18.067 912 HD21 ASN 117 1HD2 ASN 117 -6.480 5.753 -18.082 913 HD22 ASN 117 2HD2 ASN 117 -6.837 4.077 -18.302 914 H LYS 118 H LYS 118 -8.206 5.050 -14.362 915 HA LYS 118 HA LYS 118 -11.000 5.285 -13.457 916 HB2 LYS 118 1HB LYS 118 -9.284 2.808 -13.303 917 HB3 LYS 118 2HB LYS 118 -11.022 2.928 -13.063 918 HG2 LYS 118 1HG LYS 118 -9.610 3.440 -15.672 919 HG3 LYS 118 2HG LYS 118 -10.405 1.927 -15.228 920 HD2 LYS 118 1HD LYS 118 -12.478 3.426 -14.812 921 HD3 LYS 118 2HD LYS 118 -11.617 4.607 -15.802 922 HE2 LYS 118 1HE LYS 118 -11.444 2.934 -17.601 923 HE3 LYS 118 2HE LYS 118 -12.357 1.796 -16.612 924 HZ1 LYS 118 3HZ LYS 118 -14.051 2.666 -17.806 925 HZ2 LYS 118 1HZ LYS 118 -13.279 4.149 -18.067 926 HZ3 LYS 118 2HZ LYS 118 -14.025 3.833 -16.582 927 HA PRO 119 HA PRO 119 -9.658 6.098 -9.356 928 HB2 PRO 119 1HB PRO 119 -11.638 4.917 -7.922 929 HB3 PRO 119 2HB PRO 119 -11.871 6.418 -8.827 930 HG2 PRO 119 1HG PRO 119 -12.594 3.614 -9.589 931 HG3 PRO 119 2HG PRO 119 -13.535 5.105 -9.784 932 HD2 PRO 119 1HD PRO 119 -12.153 3.978 -11.821 933 HD3 PRO 119 2HD PRO 119 -12.385 5.732 -11.680 934 H VAL 120 H VAL 120 -8.482 5.202 -7.707 935 HA VAL 120 HA VAL 120 -7.927 2.330 -7.935 936 HB VAL 120 HB VAL 120 -6.313 4.225 -6.261 937 HG11 VAL 120 1HG1 VAL 120 -4.603 2.483 -7.447 938 HG12 VAL 120 2HG1 VAL 120 -5.357 2.227 -5.872 939 HG13 VAL 120 3HG1 VAL 120 -6.059 1.497 -7.317 940 HG21 VAL 120 3HG2 VAL 120 -4.900 4.110 -8.578 941 HG22 VAL 120 1HG2 VAL 120 -6.553 4.196 -9.187 942 HG23 VAL 120 2HG2 VAL 120 -5.944 5.453 -8.110 943 H HIS 121 H HIS 121 -9.446 1.315 -6.711 944 HA HIS 121 HA HIS 121 -10.328 2.281 -4.178 945 HB2 HIS 121 1HB HIS 121 -11.324 -0.060 -3.999 946 HB3 HIS 121 2HB HIS 121 -11.865 0.922 -5.358 947 HD1 HIS 121 1HD HIS 121 -11.228 0.138 -7.714 948 HD2 HIS 121 2HD HIS 121 -9.732 -2.282 -4.686 949 HE1 HIS 121 1HE HIS 121 -10.391 -1.937 -8.863 950 H PHE 122 H PHE 122 -8.122 2.598 -3.296 951 HA PHE 122 HA PHE 122 -6.352 0.523 -2.722 952 HB2 PHE 122 1HB PHE 122 -6.894 3.099 -1.238 953 HB3 PHE 122 2HB PHE 122 -5.552 2.022 -0.864 954 HD1 PHE 122 2HD PHE 122 -3.905 1.503 -2.759 955 HD2 PHE 122 1HD PHE 122 -6.666 4.741 -2.856 956 HE1 PHE 122 2HE PHE 122 -2.536 2.615 -4.474 957 HE2 PHE 122 1HE PHE 122 -5.302 5.858 -4.572 958 HZ PHE 122 HZ PHE 122 -3.233 4.796 -5.382 959 H LYS 123 H LYS 123 -6.480 -1.176 -1.423 960 HA LYS 123 HA LYS 123 -8.203 -1.041 0.949 961 HB2 LYS 123 1HB LYS 123 -8.543 -3.632 0.234 962 HB3 LYS 123 2HB LYS 123 -9.672 -2.345 -0.170 963 HG2 LYS 123 1HG LYS 123 -9.170 -2.411 -2.360 964 HG3 LYS 123 2HG LYS 123 -7.458 -2.727 -2.069 965 HD2 LYS 123 1HD LYS 123 -8.117 -4.729 -2.984 966 HD3 LYS 123 2HD LYS 123 -8.347 -5.061 -1.266 967 HE2 LYS 123 1HE LYS 123 -10.672 -4.810 -1.414 968 HE3 LYS 123 2HE LYS 123 -10.571 -3.979 -2.966 969 HZ1 LYS 123 3HZ LYS 123 -9.584 -6.203 -3.770 970 HZ2 LYS 123 1HZ LYS 123 -11.257 -6.082 -3.555 971 HZ3 LYS 123 2HZ LYS 123 -10.308 -6.854 -2.387 972 H PHE 124 H PHE 124 -7.810 -3.105 2.332 973 HA PHE 124 HA PHE 124 -4.940 -3.760 2.288 974 HB2 PHE 124 1HB PHE 124 -6.642 -3.016 4.672 975 HB3 PHE 124 2HB PHE 124 -5.048 -3.752 4.807 976 HD1 PHE 124 2HD PHE 124 -6.691 -0.881 3.079 977 HD2 PHE 124 1HD PHE 124 -3.262 -2.354 5.126 978 HE1 PHE 124 2HE PHE 124 -5.656 1.347 2.942 979 HE2 PHE 124 1HE PHE 124 -2.222 -0.129 4.993 980 HZ PHE 124 HZ PHE 124 -3.418 1.725 3.899 981 H ARG 125 H ARG 125 -4.767 -5.538 4.299 982 HA ARG 125 HA ARG 125 -5.108 -7.714 4.870 983 HB2 ARG 125 1HB ARG 125 -7.714 -6.575 4.663 984 HB3 ARG 125 2HB ARG 125 -7.773 -8.199 3.992 985 HG2 ARG 125 1HG ARG 125 -6.350 -7.935 6.553 986 HG3 ARG 125 2HG ARG 125 -8.088 -7.633 6.601 987 HD2 ARG 125 1HD ARG 125 -8.309 -9.825 5.293 988 HD3 ARG 125 2HD ARG 125 -6.635 -10.122 5.761 989 HE ARG 125 HE ARG 125 -8.945 -10.365 7.415 990 HH11 ARG 125 1HH1 ARG 125 -5.556 -9.568 7.434 991 HH12 ARG 125 2HH1 ARG 125 -5.327 -10.015 9.092 992 HH21 ARG 125 1HH2 ARG 125 -8.656 -10.957 9.599 993 HH22 ARG 125 2HH2 ARG 125 -7.090 -10.806 10.322 994 H ASP 126 H ASP 126 -6.332 -9.829 3.796 995 HA ASP 126 HA ASP 126 -6.259 -9.905 0.946 996 HB2 ASP 126 1HB ASP 126 -4.301 -11.723 1.153 997 HB3 ASP 126 2HB ASP 126 -3.983 -10.020 0.835 998 H ARG 127 H ARG 127 -5.217 -12.339 3.316 999 HA ARG 127 HA ARG 127 -7.772 -13.730 2.992 1000 HB2 ARG 127 1HB ARG 127 -5.129 -15.164 2.726 1001 HB3 ARG 127 2HB ARG 127 -6.738 -15.832 2.484 1002 HG2 ARG 127 1HG ARG 127 -6.372 -15.471 0.319 1003 HG3 ARG 127 2HG ARG 127 -6.684 -13.772 0.684 1004 HD2 ARG 127 1HD ARG 127 -4.154 -13.711 1.276 1005 HD3 ARG 127 2HD ARG 127 -4.074 -15.185 0.312 1006 HE ARG 127 HE ARG 127 -4.465 -12.499 -0.647 1007 HH11 ARG 127 1HH1 ARG 127 -4.901 -15.886 -1.325 1008 HH12 ARG 127 2HH1 ARG 127 -4.959 -15.669 -3.042 1009 HH21 ARG 127 1HH2 ARG 127 -4.541 -12.200 -2.907 1010 HH22 ARG 127 2HH2 ARG 127 -4.753 -13.572 -3.942 1011 H LEU 128 H LEU 128 -7.169 -16.033 4.376 1012 HA LEU 128 HA LEU 128 -6.970 -16.902 6.469 1013 HB2 LEU 128 1HB LEU 128 -4.760 -15.193 6.167 1014 HB3 LEU 128 2HB LEU 128 -5.418 -14.866 7.768 1015 HG LEU 128 HG LEU 128 -3.645 -16.517 7.888 1016 HD11 LEU 128 1HD1 LEU 128 -4.691 -17.846 9.399 1017 HD12 LEU 128 2HD1 LEU 128 -6.042 -18.200 8.324 1018 HD13 LEU 128 3HD1 LEU 128 -5.972 -16.656 9.171 1019 HD21 LEU 128 3HD2 LEU 128 -3.361 -18.110 6.369 1020 HD22 LEU 128 1HD2 LEU 128 -4.733 -17.445 5.482 1021 HD23 LEU 128 2HD2 LEU 128 -4.985 -18.740 6.653 1022 H LEU 129 H LEU 129 -8.904 -16.775 7.428 1023 HA LEU 129 HA LEU 129 -10.591 -16.053 8.770 1024 HB2 LEU 129 1HB LEU 129 -8.221 -15.007 9.871 1025 HB3 LEU 129 2HB LEU 129 -9.411 -13.708 9.923 1026 HG LEU 129 HG LEU 129 -10.536 -16.191 10.886 1027 HD11 LEU 129 1HD1 LEU 129 -8.007 -15.202 12.183 1028 HD12 LEU 129 2HD1 LEU 129 -8.348 -16.820 11.572 1029 HD13 LEU 129 3HD1 LEU 129 -9.193 -16.221 12.999 1030 HD21 LEU 129 3HD2 LEU 129 -11.469 -14.824 12.465 1031 HD22 LEU 129 1HD2 LEU 129 -11.120 -13.643 11.202 1032 HD23 LEU 129 2HD2 LEU 129 -10.038 -13.799 12.586 1033 H SER 130 H SER 130 -11.840 -13.912 9.394 1034 HA SER 130 HA SER 130 -12.985 -12.056 8.720 1035 HB2 SER 130 1HB SER 130 -10.581 -11.284 8.100 1036 HB3 SER 130 2HB SER 130 -11.066 -11.642 6.443 1037 HG SER 130 HG SER 130 -12.237 -9.899 6.431 1038 H LEU 131 H LEU 131 -11.660 -13.308 5.657 1039 HA LEU 131 HA LEU 131 -12.670 -14.300 3.866 1040 HB2 LEU 131 1HB LEU 131 -15.287 -14.342 5.316 1041 HB3 LEU 131 2HB LEU 131 -14.674 -15.459 4.099 1042 HG LEU 131 HG LEU 131 -13.942 -15.302 7.013 1043 HD11 LEU 131 1HD1 LEU 131 -14.470 -17.916 6.143 1044 HD12 LEU 131 2HD1 LEU 131 -15.722 -16.898 5.433 1045 HD13 LEU 131 3HD1 LEU 131 -15.471 -16.898 7.179 1046 HD21 LEU 131 3HD2 LEU 131 -12.528 -17.405 6.132 1047 HD22 LEU 131 1HD2 LEU 131 -11.853 -15.784 6.300 1048 HD23 LEU 131 2HD2 LEU 131 -12.403 -16.352 4.723 1049 H ASP 132 H ASP 132 -15.088 -12.210 5.456 1050 HA ASP 132 HA ASP 132 -16.164 -11.198 3.056 1051 HB2 ASP 132 1HB ASP 132 -16.792 -11.011 5.744 1052 HB3 ASP 132 2HB ASP 132 -16.341 -9.362 5.321 1053 H GLU 133 H GLU 133 -16.200 -8.429 3.407 1054 HA GLU 133 HA GLU 133 -14.104 -7.547 1.894 1055 HB2 GLU 133 1HB GLU 133 -16.061 -6.259 3.682 1056 HB3 GLU 133 2HB GLU 133 -14.612 -5.314 3.367 1057 HG2 GLU 133 1HG GLU 133 -15.719 -4.598 1.570 1058 HG3 GLU 133 2HG GLU 133 -15.258 -6.147 0.865 1059 HA PRO 134 HA PRO 134 -10.473 -7.239 4.335 1060 HB2 PRO 134 1HB PRO 134 -9.416 -4.867 3.545 1061 HB3 PRO 134 2HB PRO 134 -9.433 -6.302 2.513 1062 HG2 PRO 134 1HG PRO 134 -11.277 -3.944 2.509 1063 HG3 PRO 134 2HG PRO 134 -10.551 -4.799 1.135 1064 HD2 PRO 134 1HD PRO 134 -13.105 -5.220 1.928 1065 HD3 PRO 134 2HD PRO 134 -12.105 -6.499 1.210 1066 H ILE 135 H ILE 135 -9.161 -5.473 5.662 1067 HA ILE 135 HA ILE 135 -10.768 -4.781 7.871 1068 HB ILE 135 HB ILE 135 -8.351 -5.241 8.049 1069 HG12 ILE 135 1HG1 ILE 135 -9.001 -2.448 9.002 1070 HG13 ILE 135 2HG1 ILE 135 -9.625 -3.906 9.766 1071 HG21 ILE 135 1HG2 ILE 135 -6.731 -3.511 7.435 1072 HG22 ILE 135 2HG2 ILE 135 -7.607 -4.109 6.028 1073 HG23 ILE 135 3HG2 ILE 135 -8.030 -2.548 6.731 1074 HD11 ILE 135 3HD1 ILE 135 -7.598 -2.838 10.826 1075 HD12 ILE 135 1HD1 ILE 135 -7.489 -4.564 10.484 1076 HD13 ILE 135 2HD1 ILE 135 -6.689 -3.403 9.425 1077 H ALA 136 H ALA 136 -9.724 -2.992 5.055 1078 HA ALA 136 HA ALA 136 -11.728 -1.049 5.286 1079 HB1 ALA 136 1HB ALA 136 -9.203 0.390 5.760 1080 HB2 ALA 136 2HB ALA 136 -10.831 0.720 6.355 1081 HB3 ALA 136 3HB ALA 136 -9.841 -0.513 7.135 1082 H SER 137 H SER 137 -11.467 0.723 3.685 1083 HA SER 137 HA SER 137 -9.374 0.526 1.734 1084 HB2 SER 137 1HB SER 137 -11.995 0.038 0.452 1085 HB3 SER 137 2HB SER 137 -10.400 -0.590 0.036 1086 HG SER 137 HG SER 137 -12.329 -1.615 1.751 1087 H GLU 138 H GLU 138 -10.286 1.823 -0.365 1088 HA GLU 138 HA GLU 138 -12.151 3.877 0.044 1089 HB2 GLU 138 1HB GLU 138 -10.124 4.414 1.659 1090 HB3 GLU 138 2HB GLU 138 -9.407 5.044 0.183 1091 HG2 GLU 138 1HG GLU 138 -10.418 6.944 0.787 1092 HG3 GLU 138 2HG GLU 138 -11.845 6.195 0.073 1093 H GLU 139 H GLU 139 -12.483 5.068 -1.806 1094 HA GLU 139 HA GLU 139 -11.020 4.149 -4.151 1095 HB2 GLU 139 1HB GLU 139 -13.697 5.140 -3.609 1096 HB3 GLU 139 2HB GLU 139 -12.974 5.944 -4.994 1097 HG2 GLU 139 1HG GLU 139 -13.434 4.198 -6.262 1098 HG3 GLU 139 2HG GLU 139 -12.445 3.171 -5.226 1099 H ILE 140 H ILE 140 -9.387 5.266 -4.964 1100 HA ILE 140 HA ILE 140 -9.467 8.181 -4.951 1101 HB ILE 140 HB ILE 140 -7.025 6.721 -3.951 1102 HG12 ILE 140 1HG1 ILE 140 -9.052 8.290 -2.344 1103 HG13 ILE 140 2HG1 ILE 140 -8.928 6.535 -2.360 1104 HG21 ILE 140 1HG2 ILE 140 -6.727 9.239 -3.116 1105 HG22 ILE 140 2HG2 ILE 140 -6.166 8.682 -4.692 1106 HG23 ILE 140 3HG2 ILE 140 -7.703 9.536 -4.554 1107 HD11 ILE 140 3HD1 ILE 140 -7.567 6.738 -0.626 1108 HD12 ILE 140 1HD1 ILE 140 -6.369 7.385 -1.747 1109 HD13 ILE 140 2HD1 ILE 140 -7.423 8.481 -0.853 1110 H THR 141 H THR 141 -9.060 8.826 -6.949 1111 HA THR 141 HA THR 141 -7.751 7.056 -8.832 1112 HB THR 141 HB THR 141 -8.438 9.814 -9.666 1113 HG1 THR 141 1HG THR 141 -10.471 7.904 -9.078 1114 HG21 THR 141 3HG2 THR 141 -9.612 7.525 -11.054 1115 HG22 THR 141 1HG2 THR 141 -7.855 7.448 -10.933 1116 HG23 THR 141 2HG2 THR 141 -8.627 8.846 -11.682 1117 H ILE 142 H ILE 142 -6.558 9.003 -6.562 1118 HA ILE 142 HA ILE 142 -4.669 10.260 -6.267 1119 HB ILE 142 HB ILE 142 -3.592 8.372 -8.363 1120 HG12 ILE 142 1HG1 ILE 142 -4.710 7.203 -6.489 1121 HG13 ILE 142 2HG1 ILE 142 -2.973 6.919 -6.509 1122 HG21 ILE 142 1HG2 ILE 142 -1.833 9.234 -6.201 1123 HG22 ILE 142 2HG2 ILE 142 -1.541 9.153 -7.937 1124 HG23 ILE 142 3HG2 ILE 142 -2.364 10.551 -7.246 1125 HD11 ILE 142 3HD1 ILE 142 -4.052 7.359 -4.262 1126 HD12 ILE 142 1HD1 ILE 142 -2.619 8.307 -4.658 1127 HD13 ILE 142 2HD1 ILE 142 -4.222 9.032 -4.790 1128 H THR 143 H THR 143 -5.234 12.274 -7.041 1129 HA THR 143 HA THR 143 -4.997 12.886 -9.860 1130 HB THR 143 HB THR 143 -5.280 15.073 -7.869 1131 HG1 THR 143 1HG THR 143 -6.716 13.762 -6.893 1132 HG21 THR 143 3HG2 THR 143 -7.274 14.864 -9.953 1133 HG22 THR 143 1HG2 THR 143 -5.643 14.757 -10.615 1134 HG23 THR 143 2HG2 THR 143 -6.109 16.151 -9.640
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