NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
9409 | 1nxi | 5589 | cing | recoord | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1H MET 1 -17.443 -13.116 10.314 2 2H MET 1 2H MET 1 -15.967 -12.294 10.138 3 3H MET 1 3H MET 1 -16.951 -12.581 8.783 4 HA MET 1 HA MET 1 -18.470 -10.971 9.341 5 1HB MET 1 2HB MET 1 -17.415 -11.402 12.137 6 2HB MET 1 1HB MET 1 -18.399 -9.994 11.731 7 1HG MET 1 2HG MET 1 -20.083 -11.653 10.737 8 2HG MET 1 1HG MET 1 -19.168 -12.913 11.565 9 1HE MET 1 1HE MET 1 -22.611 -11.680 12.533 10 2HE MET 1 2HE MET 1 -22.102 -12.967 13.624 11 3HE MET 1 3HE MET 1 -21.660 -13.040 11.920 12 H SER 2 H SER 2 -16.472 -9.587 11.756 13 HA SER 2 HA SER 2 -15.195 -7.602 11.619 14 1HB SER 2 2HB SER 2 -13.098 -7.971 10.583 15 2HB SER 2 1HB SER 2 -13.647 -9.587 11.023 16 HG SER 2 HG SER 2 -14.676 -9.109 8.678 17 H HIS 3 H HIS 3 -16.910 -6.255 10.745 18 HA HIS 3 HA HIS 3 -17.198 -6.001 7.846 19 1HB HIS 3 2HB HIS 3 -18.594 -3.951 8.568 20 2HB HIS 3 1HB HIS 3 -19.180 -5.540 9.063 21 HD2 HIS 3 HD2 HIS 3 -20.292 -3.736 11.252 22 HE1 HIS 3 HE1 HIS 3 -16.650 -3.950 13.382 23 HE2 HIS 3 HE2 HIS 3 -19.103 -3.324 13.538 24 H GLN 4 H GLN 4 -14.515 -5.616 8.580 25 HA GLN 4 HA GLN 4 -14.063 -2.692 8.626 26 1HB GLN 4 2HB GLN 4 -12.680 -4.615 9.842 27 2HB GLN 4 1HB GLN 4 -11.836 -4.663 8.294 28 1HG GLN 4 2HG GLN 4 -10.650 -3.086 9.655 29 2HG GLN 4 1HG GLN 4 -11.578 -2.139 8.490 30 1HE2 GLN 4 1HE2 GLN 4 -11.294 -0.417 10.293 31 2HE2 GLN 4 2HE2 GLN 4 -12.457 -0.394 11.528 32 H ASP 5 H ASP 5 -15.248 -2.721 6.409 33 HA ASP 5 HA ASP 5 -13.166 -2.631 4.327 34 1HB ASP 5 2HB ASP 5 -15.492 -4.551 4.275 35 2HB ASP 5 1HB ASP 5 -14.774 -3.955 2.777 36 H ASP 6 H ASP 6 -14.019 -0.348 4.991 37 HA ASP 6 HA ASP 6 -16.161 0.366 3.048 38 1HB ASP 6 2HB ASP 6 -16.306 0.574 5.946 39 2HB ASP 6 1HB ASP 6 -16.475 2.156 5.184 40 H TYR 7 H TYR 7 -14.193 1.008 1.817 41 HA TYR 7 HA TYR 7 -12.689 3.313 2.888 42 1HB TYR 7 2HB TYR 7 -12.365 2.407 0.063 43 2HB TYR 7 1HB TYR 7 -11.139 2.898 1.232 44 HD1 TYR 7 HD1 TYR 7 -11.897 0.220 -0.619 45 HD2 TYR 7 HD2 TYR 7 -11.615 1.233 3.545 46 HE1 TYR 7 HE1 TYR 7 -11.464 -2.160 -0.070 47 HE2 TYR 7 HE2 TYR 7 -11.181 -1.147 4.095 48 HH TYR 7 HH TYR 7 -11.648 -3.670 1.827 49 H LEU 8 H LEU 8 -14.169 5.038 2.908 50 HA LEU 8 HA LEU 8 -14.912 6.055 0.219 51 1HB LEU 8 2HB LEU 8 -16.813 4.748 1.600 52 2HB LEU 8 1HB LEU 8 -16.977 6.337 2.349 53 HG LEU 8 HG LEU 8 -17.183 7.355 0.089 54 1HD1 LEU 8 1HD1 LEU 8 -16.562 4.560 -0.671 55 2HD1 LEU 8 2HD1 LEU 8 -16.238 6.062 -1.538 56 3HD1 LEU 8 3HD1 LEU 8 -17.840 5.329 -1.612 57 1HD2 LEU 8 1HD2 LEU 8 -19.450 6.545 -0.356 58 2HD2 LEU 8 2HD2 LEU 8 -19.193 6.640 1.386 59 3HD2 LEU 8 3HD2 LEU 8 -19.133 5.078 0.571 60 H SER 9 H SER 9 -12.988 7.389 0.987 61 HA SER 9 HA SER 9 -13.930 9.941 1.958 62 1HB SER 9 2HB SER 9 -12.290 8.210 3.824 63 2HB SER 9 1HB SER 9 -12.413 9.958 3.999 64 HG SER 9 HG SER 9 -14.381 9.736 4.722 65 H VAL 10 H VAL 10 -12.740 9.656 -0.341 66 HA VAL 10 HA VAL 10 -10.085 9.375 -0.828 67 HB VAL 10 HB VAL 10 -10.208 11.208 -2.445 68 1HG1 VAL 10 1HG1 VAL 10 -12.817 9.697 -2.115 69 2HG1 VAL 10 2HG1 VAL 10 -11.404 9.166 -3.027 70 3HG1 VAL 10 3HG1 VAL 10 -12.340 10.555 -3.580 71 1HG2 VAL 10 1HG2 VAL 10 -12.386 12.089 -0.599 72 2HG2 VAL 10 2HG2 VAL 10 -12.587 12.429 -2.318 73 3HG2 VAL 10 3HG2 VAL 10 -11.183 13.054 -1.453 74 H GLU 11 H GLU 11 -11.503 12.039 1.029 75 HA GLU 11 HA GLU 11 -9.321 13.753 1.303 76 1HB GLU 11 2HB GLU 11 -11.074 12.913 3.626 77 2HB GLU 11 1HB GLU 11 -10.267 14.465 3.396 78 1HG GLU 11 2HG GLU 11 -11.663 14.557 1.176 79 2HG GLU 11 1HG GLU 11 -12.681 13.364 1.984 80 H GLU 12 H GLU 12 -9.868 10.643 2.911 81 HA GLU 12 HA GLU 12 -7.541 10.868 4.632 82 1HB GLU 12 2HB GLU 12 -8.975 8.345 3.750 83 2HB GLU 12 1HB GLU 12 -7.960 8.545 5.179 84 1HG GLU 12 2HG GLU 12 -10.222 10.448 4.927 85 2HG GLU 12 1HG GLU 12 -10.660 8.768 5.243 86 H LEU 13 H LEU 13 -8.198 8.854 1.736 87 HA LEU 13 HA LEU 13 -5.624 7.800 1.392 88 1HB LEU 13 2HB LEU 13 -7.180 8.748 -1.000 89 2HB LEU 13 1HB LEU 13 -6.273 7.249 -0.786 90 HG LEU 13 HG LEU 13 -8.929 7.976 0.476 91 1HD1 LEU 13 1HD1 LEU 13 -9.682 6.951 -1.391 92 2HD1 LEU 13 2HD1 LEU 13 -9.034 5.457 -0.712 93 3HD1 LEU 13 3HD1 LEU 13 -8.061 6.411 -1.832 94 1HD2 LEU 13 1HD2 LEU 13 -7.670 6.850 2.182 95 2HD2 LEU 13 2HD2 LEU 13 -7.013 5.694 1.023 96 3HD2 LEU 13 3HD2 LEU 13 -8.720 5.631 1.460 97 H ILE 14 H ILE 14 -6.897 10.929 0.255 98 HA ILE 14 HA ILE 14 -4.588 11.775 -1.164 99 HB ILE 14 HB ILE 14 -6.689 13.337 0.359 100 1HG1 ILE 14 2HG1 ILE 14 -6.231 13.194 -2.622 101 2HG1 ILE 14 1HG1 ILE 14 -7.186 11.968 -1.786 102 1HG2 ILE 14 1HG2 ILE 14 -4.143 14.210 -0.775 103 2HG2 ILE 14 2HG2 ILE 14 -5.281 15.100 0.236 104 3HG2 ILE 14 3HG2 ILE 14 -5.517 15.035 -1.511 105 1HD1 ILE 14 1HD1 ILE 14 -8.286 14.218 -2.773 106 2HD1 ILE 14 2HD1 ILE 14 -7.829 14.810 -1.176 107 3HD1 ILE 14 3HD1 ILE 14 -8.905 13.420 -1.326 108 H GLU 15 H GLU 15 -5.470 12.257 2.265 109 HA GLU 15 HA GLU 15 -3.192 13.749 3.033 110 1HB GLU 15 2HB GLU 15 -5.389 12.682 4.336 111 2HB GLU 15 1HB GLU 15 -4.047 11.775 5.032 112 1HG GLU 15 2HG GLU 15 -4.027 13.623 6.423 113 2HG GLU 15 1HG GLU 15 -2.942 14.198 5.156 114 H ILE 16 H ILE 16 -3.668 10.216 3.437 115 HA ILE 16 HA ILE 16 -1.122 9.504 4.280 116 HB ILE 16 HB ILE 16 -2.853 8.039 2.265 117 1HG1 ILE 16 2HG1 ILE 16 -2.585 7.485 5.221 118 2HG1 ILE 16 1HG1 ILE 16 -3.756 8.658 4.618 119 1HG2 ILE 16 1HG2 ILE 16 -0.691 7.055 2.146 120 2HG2 ILE 16 2HG2 ILE 16 -1.592 6.037 3.270 121 3HG2 ILE 16 3HG2 ILE 16 -0.436 7.219 3.883 122 1HD1 ILE 16 1HD1 ILE 16 -4.502 6.772 3.004 123 2HD1 ILE 16 2HD1 ILE 16 -4.985 6.648 4.695 124 3HD1 ILE 16 3HD1 ILE 16 -3.631 5.693 4.094 125 H GLN 17 H GLN 17 -1.959 9.005 0.848 126 HA GLN 17 HA GLN 17 0.513 8.797 -0.270 127 1HB GLN 17 2HB GLN 17 -2.043 9.556 -1.225 128 2HB GLN 17 1HB GLN 17 -0.906 10.748 -1.857 129 1HG GLN 17 2HG GLN 17 -0.909 8.991 -3.460 130 2HG GLN 17 1HG GLN 17 0.568 8.754 -2.524 131 1HE2 GLN 17 1HE2 GLN 17 0.802 6.506 -2.365 132 2HE2 GLN 17 2HE2 GLN 17 -0.421 5.446 -1.854 133 H LYS 18 H LYS 18 -0.903 11.802 0.947 134 HA LYS 18 HA LYS 18 1.009 13.634 -0.059 135 1HB LYS 18 2HB LYS 18 -1.188 13.896 1.484 136 2HB LYS 18 1HB LYS 18 0.053 14.040 2.730 137 1HG LYS 18 2HG LYS 18 0.028 16.237 2.091 138 2HG LYS 18 1HG LYS 18 1.126 15.649 0.842 139 1HD LYS 18 2HD LYS 18 -0.506 16.853 -0.369 140 2HD LYS 18 1HD LYS 18 -1.016 15.173 -0.533 141 1HE LYS 18 2HE LYS 18 -2.758 15.418 1.029 142 2HE LYS 18 1HE LYS 18 -2.048 16.873 1.729 143 1HZ LYS 18 1HZ LYS 18 -3.939 17.400 0.322 144 2HZ LYS 18 2HZ LYS 18 -3.189 16.647 -1.003 145 3HZ LYS 18 3HZ LYS 18 -2.512 18.050 -0.324 146 H GLU 19 H GLU 19 0.996 12.110 3.187 147 HA GLU 19 HA GLU 19 3.660 12.958 3.829 148 1HB GLU 19 2HB GLU 19 2.438 12.338 5.713 149 2HB GLU 19 1HB GLU 19 1.755 10.916 4.925 150 1HG GLU 19 2HG GLU 19 3.845 9.731 5.077 151 2HG GLU 19 1HG GLU 19 4.692 11.183 5.609 152 H GLU 20 H GLU 20 2.530 9.636 3.088 153 HA GLU 20 HA GLU 20 4.921 8.320 2.819 154 1HB GLU 20 2HB GLU 20 2.309 8.107 1.440 155 2HB GLU 20 1HB GLU 20 3.664 7.338 0.611 156 1HG GLU 20 2HG GLU 20 4.238 6.147 2.725 157 2HG GLU 20 1HG GLU 20 2.809 6.854 3.481 158 H THR 21 H THR 21 3.391 9.774 -0.081 159 HA THR 21 HA THR 21 5.456 9.656 -1.871 160 HB THR 21 HB THR 21 3.964 12.252 -1.441 161 HG1 THR 21 HG1 THR 21 3.060 9.988 -2.876 162 1HG2 THR 21 1HG2 THR 21 5.794 12.019 -3.199 163 2HG2 THR 21 2HG2 THR 21 4.213 12.514 -3.805 164 3HG2 THR 21 3HG2 THR 21 4.750 10.845 -4.001 165 H ARG 22 H ARG 22 5.082 12.476 0.317 166 HA ARG 22 HA ARG 22 7.483 13.763 -0.169 167 1HB ARG 22 2HB ARG 22 6.338 13.299 2.602 168 2HB ARG 22 1HB ARG 22 7.384 14.630 2.104 169 1HG ARG 22 2HG ARG 22 4.928 14.268 0.487 170 2HG ARG 22 1HG ARG 22 4.671 14.800 2.149 171 1HD ARG 22 2HD ARG 22 6.775 16.135 0.468 172 2HD ARG 22 1HD ARG 22 5.082 16.593 0.279 173 HE ARG 22 HE ARG 22 5.507 16.694 3.021 174 1HH1 ARG 22 1HH2 ARG 22 6.968 18.022 0.195 175 2HH1 ARG 22 2HH2 ARG 22 7.505 19.465 0.989 176 1HH2 ARG 22 2HH1 ARG 22 6.201 18.568 4.075 177 2HH2 ARG 22 1HH1 ARG 22 7.071 19.774 3.187 178 H ASP 23 H ASP 23 7.037 11.137 2.232 179 HA ASP 23 HA ASP 23 9.686 10.883 3.091 180 1HB ASP 23 2HB ASP 23 7.961 8.480 2.475 181 2HB ASP 23 1HB ASP 23 9.143 8.671 3.772 182 H ILE 24 H ILE 24 8.186 9.222 0.296 183 HA ILE 24 HA ILE 24 10.530 7.914 -0.616 184 HB ILE 24 HB ILE 24 8.472 9.044 -2.506 185 1HG1 ILE 24 2HG1 ILE 24 8.165 6.774 -0.523 186 2HG1 ILE 24 1HG1 ILE 24 7.133 8.195 -0.700 187 1HG2 ILE 24 1HG2 ILE 24 10.630 7.459 -2.936 188 2HG2 ILE 24 2HG2 ILE 24 9.159 7.369 -3.905 189 3HG2 ILE 24 3HG2 ILE 24 9.415 6.231 -2.581 190 1HD1 ILE 24 1HD1 ILE 24 7.158 5.685 -2.249 191 2HD1 ILE 24 2HD1 ILE 24 7.052 7.147 -3.230 192 3HD1 ILE 24 3HD1 ILE 24 5.844 6.831 -1.984 193 H ILE 25 H ILE 25 9.148 10.998 -1.820 194 HA ILE 25 HA ILE 25 11.182 11.750 -3.563 195 HB ILE 25 HB ILE 25 9.846 13.653 -1.620 196 1HG1 ILE 25 2HG1 ILE 25 8.031 12.463 -2.548 197 2HG1 ILE 25 1HG1 ILE 25 8.203 13.848 -3.628 198 1HG2 ILE 25 1HG2 ILE 25 10.206 14.493 -4.387 199 2HG2 ILE 25 2HG2 ILE 25 11.741 14.059 -3.636 200 3HG2 ILE 25 3HG2 ILE 25 10.720 15.293 -2.902 201 1HD1 ILE 25 1HD1 ILE 25 9.702 12.381 -5.072 202 2HD1 ILE 25 2HD1 ILE 25 7.999 11.923 -5.040 203 3HD1 ILE 25 3HD1 ILE 25 9.173 11.019 -4.084 204 H GLN 26 H GLN 26 11.140 12.074 -0.023 205 HA GLN 26 HA GLN 26 13.538 13.556 0.276 206 1HB GLN 26 2HB GLN 26 12.452 11.373 2.082 207 2HB GLN 26 1HB GLN 26 13.641 12.591 2.542 208 1HG GLN 26 2HG GLN 26 11.346 13.876 1.351 209 2HG GLN 26 1HG GLN 26 10.823 12.816 2.660 210 1HE2 GLN 26 1HE2 GLN 26 10.869 15.789 2.706 211 2HE2 GLN 26 2HE2 GLN 26 11.902 16.224 3.981 212 H ALA 27 H ALA 27 13.091 10.000 0.321 213 HA ALA 27 HA ALA 27 15.865 9.361 0.485 214 1HB ALA 27 1HB ALA 27 15.193 7.180 0.233 215 2HB ALA 27 2HB ALA 27 14.101 7.561 -1.099 216 3HB ALA 27 3HB ALA 27 13.610 7.884 0.564 217 H LEU 28 H LEU 28 13.736 9.414 -2.401 218 HA LEU 28 HA LEU 28 15.649 8.904 -4.368 219 1HB LEU 28 2HB LEU 28 13.010 10.003 -4.280 220 2HB LEU 28 1HB LEU 28 13.990 11.033 -5.324 221 HG LEU 28 HG LEU 28 14.063 8.029 -5.593 222 1HD1 LEU 28 1HD1 LEU 28 12.412 8.444 -7.512 223 2HD1 LEU 28 2HD1 LEU 28 12.075 9.996 -6.744 224 3HD1 LEU 28 3HD1 LEU 28 11.744 8.494 -5.880 225 1HD2 LEU 28 1HD2 LEU 28 14.560 8.833 -8.007 226 2HD2 LEU 28 2HD2 LEU 28 15.818 9.071 -6.794 227 3HD2 LEU 28 3HD2 LEU 28 14.796 10.424 -7.282 228 H LEU 29 H LEU 29 14.825 12.082 -2.952 229 HA LEU 29 HA LEU 29 16.756 13.576 -4.436 230 1HB LEU 29 2HB LEU 29 15.054 14.004 -2.072 231 2HB LEU 29 1HB LEU 29 16.565 14.914 -2.035 232 HG LEU 29 HG LEU 29 14.586 14.900 -4.334 233 1HD1 LEU 29 1HD1 LEU 29 13.651 16.143 -2.498 234 2HD1 LEU 29 2HD1 LEU 29 14.314 17.322 -3.628 235 3HD1 LEU 29 3HD1 LEU 29 15.198 16.915 -2.157 236 1HD2 LEU 29 1HD2 LEU 29 16.266 17.063 -4.632 237 2HD2 LEU 29 2HD2 LEU 29 16.445 15.529 -5.483 238 3HD2 LEU 29 3HD2 LEU 29 17.362 15.831 -4.008 239 H GLU 30 H GLU 30 16.971 12.709 -0.966 240 HA GLU 30 HA GLU 30 19.581 13.264 -0.414 241 1HB GLU 30 2HB GLU 30 17.749 11.824 0.899 242 2HB GLU 30 1HB GLU 30 18.742 10.490 0.312 243 1HG GLU 30 2HG GLU 30 20.733 11.979 1.193 244 2HG GLU 30 1HG GLU 30 19.476 12.712 2.189 245 H ASP 31 H ASP 31 18.459 10.559 -2.408 246 HA ASP 31 HA ASP 31 20.942 9.217 -2.721 247 1HB ASP 31 2HB ASP 31 18.676 8.412 -3.523 248 2HB ASP 31 1HB ASP 31 18.832 9.536 -4.874 249 H GLY 32 H GLY 32 19.676 12.139 -4.221 250 1HA GLY 32 2HA GLY 32 21.507 13.751 -4.902 251 2HA GLY 32 1HA GLY 32 22.255 12.380 -5.723 252 H SER 33 H SER 33 18.976 12.023 -6.053 253 HA SER 33 HA SER 33 18.897 12.356 -8.836 254 1HB SER 33 2HB SER 33 16.741 12.538 -6.733 255 2HB SER 33 1HB SER 33 16.370 12.733 -8.444 256 HG SER 33 HG SER 33 17.150 10.683 -8.822 257 H ASP 34 H ASP 34 17.512 14.078 -10.002 258 HA ASP 34 HA ASP 34 17.938 16.767 -8.776 259 1HB ASP 34 2HB ASP 34 19.142 15.663 -11.200 260 2HB ASP 34 1HB ASP 34 18.265 17.161 -11.512 261 HA PRO 35 HA PRO 35 13.734 17.391 -9.994 262 1HB PRO 35 2HB PRO 35 13.698 20.128 -10.115 263 2HB PRO 35 1HB PRO 35 13.706 19.216 -8.594 264 1HG PRO 35 2HG PRO 35 15.939 20.599 -9.985 265 2HG PRO 35 1HG PRO 35 15.596 20.462 -8.253 266 1HD PRO 35 2HD PRO 35 17.492 18.946 -9.539 267 2HD PRO 35 1HD PRO 35 16.642 18.414 -8.071 268 H ASP 36 H ASP 36 16.360 18.442 -11.976 269 HA ASP 36 HA ASP 36 14.554 19.235 -14.191 270 1HB ASP 36 2HB ASP 36 17.258 19.207 -15.051 271 2HB ASP 36 1HB ASP 36 16.265 20.616 -14.678 272 H ALA 37 H ALA 37 15.957 16.441 -12.976 273 HA ALA 37 HA ALA 37 16.708 15.130 -15.438 274 1HB ALA 37 1HB ALA 37 17.612 14.113 -13.528 275 2HB ALA 37 2HB ALA 37 16.285 13.026 -13.938 276 3HB ALA 37 3HB ALA 37 16.089 14.205 -12.642 277 H LEU 38 H LEU 38 13.707 16.065 -14.212 278 HA LEU 38 HA LEU 38 11.508 15.537 -14.839 279 1HB LEU 38 2HB LEU 38 13.203 15.043 -17.194 280 2HB LEU 38 1HB LEU 38 11.685 14.143 -17.209 281 HG LEU 38 HG LEU 38 11.898 17.125 -16.701 282 1HD1 LEU 38 1HD1 LEU 38 12.538 16.496 -19.021 283 2HD1 LEU 38 2HD1 LEU 38 11.018 17.388 -18.974 284 3HD1 LEU 38 3HD1 LEU 38 11.007 15.638 -19.192 285 1HD2 LEU 38 1HD2 LEU 38 9.792 15.154 -16.389 286 2HD2 LEU 38 2HD2 LEU 38 9.333 16.361 -17.591 287 3HD2 LEU 38 3HD2 LEU 38 9.781 16.865 -15.961 288 H TYR 39 H TYR 39 10.281 13.949 -13.953 289 HA TYR 39 HA TYR 39 11.357 11.157 -14.033 290 1HB TYR 39 2HB TYR 39 10.080 12.767 -11.873 291 2HB TYR 39 1HB TYR 39 9.689 11.049 -11.937 292 HD1 TYR 39 HD1 TYR 39 11.116 9.540 -10.877 293 HD2 TYR 39 HD2 TYR 39 12.658 13.339 -12.158 294 HE1 TYR 39 HE1 TYR 39 13.302 9.004 -9.837 295 HE2 TYR 39 HE2 TYR 39 14.844 12.802 -11.117 296 HH TYR 39 HH TYR 39 15.922 11.387 -9.735 297 H GLU 40 H GLU 40 9.855 9.477 -14.449 298 HA GLU 40 HA GLU 40 7.346 10.396 -15.757 299 1HB GLU 40 2HB GLU 40 8.379 7.568 -15.811 300 2HB GLU 40 1HB GLU 40 7.395 8.408 -17.009 301 1HG GLU 40 2HG GLU 40 9.401 9.952 -17.369 302 2HG GLU 40 1HG GLU 40 10.338 8.790 -16.429 303 H ILE 41 H ILE 41 5.671 10.461 -14.313 304 HA ILE 41 HA ILE 41 5.595 8.731 -11.973 305 HB ILE 41 HB ILE 41 3.208 10.247 -12.997 306 1HG1 ILE 41 2HG1 ILE 41 5.003 11.830 -13.317 307 2HG1 ILE 41 1HG1 ILE 41 4.182 12.264 -11.817 308 1HG2 ILE 41 1HG2 ILE 41 4.367 9.468 -10.321 309 2HG2 ILE 41 2HG2 ILE 41 2.769 9.110 -10.975 310 3HG2 ILE 41 3HG2 ILE 41 3.162 10.749 -10.453 311 1HD1 ILE 41 1HD1 ILE 41 5.906 11.016 -10.535 312 2HD1 ILE 41 2HD1 ILE 41 6.611 12.322 -11.486 313 3HD1 ILE 41 3HD1 ILE 41 6.744 10.655 -12.044 314 H GLU 42 H GLU 42 4.210 6.963 -11.621 315 HA GLU 42 HA GLU 42 2.766 5.950 -14.038 316 1HB GLU 42 2HB GLU 42 4.977 4.762 -13.377 317 2HB GLU 42 1HB GLU 42 4.061 4.134 -12.008 318 1HG GLU 42 2HG GLU 42 2.411 3.148 -13.523 319 2HG GLU 42 1HG GLU 42 3.250 3.833 -14.914 320 H HIS 43 H HIS 43 0.707 5.151 -13.644 321 HA HIS 43 HA HIS 43 -0.143 4.886 -10.797 322 1HB HIS 43 2HB HIS 43 -1.930 6.165 -12.864 323 2HB HIS 43 1HB HIS 43 -2.064 6.225 -11.107 324 HD2 HIS 43 HD2 HIS 43 0.304 7.771 -13.902 325 HE1 HIS 43 HE1 HIS 43 0.601 10.108 -10.397 326 HE2 HIS 43 HE2 HIS 43 1.319 9.917 -12.821 327 H HIS 44 H HIS 44 -1.347 3.057 -10.459 328 HA HIS 44 HA HIS 44 -2.091 1.476 -12.871 329 1HB HIS 44 2HB HIS 44 -1.867 0.640 -9.963 330 2HB HIS 44 1HB HIS 44 -2.243 -0.435 -11.308 331 HD2 HIS 44 HD2 HIS 44 -0.031 -1.039 -13.011 332 HE1 HIS 44 HE1 HIS 44 2.873 0.890 -10.630 333 HE2 HIS 44 HE2 HIS 44 2.517 -0.658 -12.607 334 H LEU 45 H LEU 45 -4.212 1.167 -13.376 335 HA LEU 45 HA LEU 45 -6.266 1.677 -11.278 336 1HB LEU 45 2HB LEU 45 -6.138 2.913 -14.039 337 2HB LEU 45 1HB LEU 45 -7.623 2.853 -13.090 338 HG LEU 45 HG LEU 45 -5.798 3.824 -11.264 339 1HD1 LEU 45 1HD1 LEU 45 -4.046 4.150 -12.882 340 2HD1 LEU 45 2HD1 LEU 45 -4.726 5.739 -12.534 341 3HD1 LEU 45 3HD1 LEU 45 -5.161 4.900 -14.023 342 1HD2 LEU 45 1HD2 LEU 45 -8.000 4.736 -11.477 343 2HD2 LEU 45 2HD2 LEU 45 -7.714 5.215 -13.150 344 3HD2 LEU 45 3HD2 LEU 45 -6.896 6.063 -11.837 345 H PHE 46 H PHE 46 -7.860 0.130 -11.316 346 HA PHE 46 HA PHE 46 -8.057 -1.558 -13.775 347 1HB PHE 46 2HB PHE 46 -8.810 -3.207 -11.663 348 2HB PHE 46 1HB PHE 46 -7.269 -3.263 -12.519 349 HD1 PHE 46 HD1 PHE 46 -8.755 -2.913 -9.351 350 HD2 PHE 46 HD2 PHE 46 -5.519 -1.396 -11.734 351 HE1 PHE 46 HE1 PHE 46 -7.579 -2.187 -7.291 352 HE2 PHE 46 HE2 PHE 46 -4.343 -0.671 -9.675 353 HZ PHE 46 HZ PHE 46 -5.373 -1.066 -7.453 354 H ALA 47 H ALA 47 -10.178 -2.626 -14.021 355 HA ALA 47 HA ALA 47 -12.370 -1.345 -12.461 356 1HB ALA 47 1HB ALA 47 -11.717 -0.376 -14.922 357 2HB ALA 47 2HB ALA 47 -13.353 -0.343 -14.263 358 3HB ALA 47 3HB ALA 47 -12.873 -1.632 -15.366 359 H GLU 48 H GLU 48 -14.550 -2.444 -13.278 360 HA GLU 48 HA GLU 48 -13.993 -5.378 -13.452 361 1HB GLU 48 2HB GLU 48 -16.248 -3.849 -12.128 362 2HB GLU 48 1HB GLU 48 -16.285 -5.595 -12.377 363 1HG GLU 48 2HG GLU 48 -14.010 -4.199 -10.953 364 2HG GLU 48 1HG GLU 48 -15.422 -4.829 -10.104 365 H ASP 49 H ASP 49 -15.396 -2.695 -15.026 366 HA ASP 49 HA ASP 49 -17.031 -4.499 -16.760 367 1HB ASP 49 2HB ASP 49 -17.566 -1.938 -15.599 368 2HB ASP 49 1HB ASP 49 -17.507 -1.742 -17.351 369 H PHE 50 H PHE 50 -16.071 -4.988 -18.670 370 HA PHE 50 HA PHE 50 -13.639 -3.937 -19.604 371 1HB PHE 50 2HB PHE 50 -15.476 -4.680 -21.769 372 2HB PHE 50 1HB PHE 50 -13.937 -5.404 -21.306 373 HD1 PHE 50 HD1 PHE 50 -17.573 -5.329 -20.576 374 HD2 PHE 50 HD2 PHE 50 -13.832 -7.310 -19.848 375 HE1 PHE 50 HE1 PHE 50 -18.778 -7.205 -19.492 376 HE2 PHE 50 HE2 PHE 50 -15.037 -9.187 -18.764 377 HZ PHE 50 HZ PHE 50 -17.510 -9.135 -18.585 378 H ASP 51 H ASP 51 -16.956 -2.885 -20.352 379 HA ASP 51 HA ASP 51 -16.130 -0.836 -22.221 380 1HB ASP 51 2HB ASP 51 -18.398 -1.651 -22.342 381 2HB ASP 51 1HB ASP 51 -18.688 -1.250 -20.649 382 H LYS 52 H LYS 52 -17.494 -0.530 -18.916 383 HA LYS 52 HA LYS 52 -17.035 2.178 -18.497 384 1HB LYS 52 2HB LYS 52 -18.056 0.492 -16.869 385 2HB LYS 52 1HB LYS 52 -16.404 0.091 -16.396 386 1HG LYS 52 2HG LYS 52 -16.787 1.763 -14.866 387 2HG LYS 52 1HG LYS 52 -16.248 2.769 -16.212 388 1HD LYS 52 2HD LYS 52 -18.296 3.736 -15.403 389 2HD LYS 52 1HD LYS 52 -18.678 2.932 -16.927 390 1HE LYS 52 2HE LYS 52 -18.902 1.154 -14.605 391 2HE LYS 52 1HE LYS 52 -20.006 2.529 -14.533 392 1HZ LYS 52 1HZ LYS 52 -20.405 0.250 -15.952 393 2HZ LYS 52 2HZ LYS 52 -19.858 1.337 -17.137 394 3HZ LYS 52 3HZ LYS 52 -21.219 1.719 -16.195 395 H LEU 53 H LEU 53 -14.695 -0.445 -18.497 396 HA LEU 53 HA LEU 53 -12.493 0.994 -17.375 397 1HB LEU 53 2HB LEU 53 -12.690 -1.527 -17.828 398 2HB LEU 53 1HB LEU 53 -12.264 -1.148 -19.496 399 HG LEU 53 HG LEU 53 -10.525 0.053 -17.409 400 1HD1 LEU 53 1HD1 LEU 53 -10.600 -2.037 -16.350 401 2HD1 LEU 53 2HD1 LEU 53 -9.246 -2.227 -17.462 402 3HD1 LEU 53 3HD1 LEU 53 -10.823 -2.904 -17.869 403 1HD2 LEU 53 1HD2 LEU 53 -8.844 -0.313 -19.063 404 2HD2 LEU 53 2HD2 LEU 53 -10.281 0.172 -19.964 405 3HD2 LEU 53 3HD2 LEU 53 -9.818 -1.528 -19.890 406 H GLU 54 H GLU 54 -12.912 0.121 -20.826 407 HA GLU 54 HA GLU 54 -11.017 1.915 -21.861 408 1HB GLU 54 2HB GLU 54 -13.662 1.162 -23.148 409 2HB GLU 54 1HB GLU 54 -12.225 1.753 -23.984 410 1HG GLU 54 2HG GLU 54 -11.137 -0.253 -23.817 411 2HG GLU 54 1HG GLU 54 -11.823 -0.607 -22.231 412 H LYS 55 H LYS 55 -14.158 2.562 -20.535 413 HA LYS 55 HA LYS 55 -14.551 5.150 -21.767 414 1HB LYS 55 2HB LYS 55 -16.078 3.464 -20.186 415 2HB LYS 55 1HB LYS 55 -15.724 4.807 -19.100 416 1HG LYS 55 2HG LYS 55 -16.446 6.366 -20.972 417 2HG LYS 55 1HG LYS 55 -17.035 4.938 -21.826 418 1HD LYS 55 2HD LYS 55 -17.914 5.049 -19.029 419 2HD LYS 55 1HD LYS 55 -18.492 6.409 -19.994 420 1HE LYS 55 2HE LYS 55 -18.709 3.553 -20.958 421 2HE LYS 55 1HE LYS 55 -19.970 4.313 -19.987 422 1HZ LYS 55 1HZ LYS 55 -20.095 4.439 -22.546 423 2HZ LYS 55 2HZ LYS 55 -18.938 5.673 -22.384 424 3HZ LYS 55 3HZ LYS 55 -20.455 5.823 -21.633 425 H ALA 56 H ALA 56 -13.650 4.291 -18.402 426 HA ALA 56 HA ALA 56 -12.834 6.947 -17.708 427 1HB ALA 56 1HB ALA 56 -13.282 5.480 -15.897 428 2HB ALA 56 2HB ALA 56 -11.531 5.693 -15.868 429 3HB ALA 56 3HB ALA 56 -12.229 4.223 -16.549 430 H ALA 57 H ALA 57 -11.133 4.231 -19.179 431 HA ALA 57 HA ALA 57 -8.480 5.310 -18.887 432 1HB ALA 57 1HB ALA 57 -7.900 3.348 -19.839 433 2HB ALA 57 2HB ALA 57 -8.816 3.726 -21.299 434 3HB ALA 57 3HB ALA 57 -9.619 2.963 -19.927 435 H VAL 58 H VAL 58 -11.030 5.731 -21.292 436 HA VAL 58 HA VAL 58 -9.392 7.099 -23.232 437 HB VAL 58 HB VAL 58 -12.324 6.752 -22.750 438 1HG1 VAL 58 1HG1 VAL 58 -12.414 9.059 -23.237 439 2HG1 VAL 58 2HG1 VAL 58 -12.625 8.297 -24.813 440 3HG1 VAL 58 3HG1 VAL 58 -11.057 8.966 -24.360 441 1HG2 VAL 58 1HG2 VAL 58 -12.193 5.497 -24.657 442 2HG2 VAL 58 2HG2 VAL 58 -10.472 5.461 -24.274 443 3HG2 VAL 58 3HG2 VAL 58 -11.090 6.628 -25.443 444 H GLU 59 H GLU 59 -11.711 8.333 -20.791 445 HA GLU 59 HA GLU 59 -11.290 11.082 -21.200 446 1HB GLU 59 2HB GLU 59 -12.900 9.853 -19.562 447 2HB GLU 59 1HB GLU 59 -11.557 9.944 -18.422 448 1HG GLU 59 2HG GLU 59 -12.723 11.924 -17.972 449 2HG GLU 59 1HG GLU 59 -11.483 12.468 -19.103 450 H ALA 60 H ALA 60 -9.596 9.009 -18.815 451 HA ALA 60 HA ALA 60 -7.739 10.840 -17.850 452 1HB ALA 60 1HB ALA 60 -7.832 8.572 -16.981 453 2HB ALA 60 2HB ALA 60 -6.196 8.877 -17.564 454 3HB ALA 60 3HB ALA 60 -7.312 7.915 -18.533 455 H PHE 61 H PHE 61 -7.134 8.652 -20.628 456 HA PHE 61 HA PHE 61 -4.710 9.857 -21.457 457 1HB PHE 61 2HB PHE 61 -5.117 7.848 -22.548 458 2HB PHE 61 1HB PHE 61 -6.821 8.219 -22.814 459 HD1 PHE 61 HD1 PHE 61 -3.439 9.575 -23.737 460 HD2 PHE 61 HD2 PHE 61 -7.478 8.791 -24.971 461 HE1 PHE 61 HE1 PHE 61 -2.905 10.405 -26.013 462 HE2 PHE 61 HE2 PHE 61 -6.943 9.621 -27.246 463 HZ PHE 61 HZ PHE 61 -4.657 10.428 -27.767 464 H LYS 62 H LYS 62 -8.020 10.899 -21.881 465 HA LYS 62 HA LYS 62 -7.563 12.720 -24.062 466 1HB LYS 62 2HB LYS 62 -9.786 11.843 -22.740 467 2HB LYS 62 1HB LYS 62 -9.623 13.470 -22.078 468 1HG LYS 62 2HG LYS 62 -9.637 14.446 -24.289 469 2HG LYS 62 1HG LYS 62 -9.567 12.855 -25.045 470 1HD LYS 62 2HD LYS 62 -11.827 13.672 -23.209 471 2HD LYS 62 1HD LYS 62 -11.878 13.954 -24.949 472 1HE LYS 62 2HE LYS 62 -11.080 11.301 -24.763 473 2HE LYS 62 1HE LYS 62 -12.256 11.463 -23.459 474 1HZ LYS 62 1HZ LYS 62 -13.706 11.115 -25.124 475 2HZ LYS 62 2HZ LYS 62 -12.633 11.640 -26.332 476 3HZ LYS 62 3HZ LYS 62 -13.497 12.775 -25.408 477 H MET 63 H MET 63 -7.421 13.077 -20.529 478 HA MET 63 HA MET 63 -6.964 15.914 -20.540 479 1HB MET 63 2HB MET 63 -6.325 13.733 -18.542 480 2HB MET 63 1HB MET 63 -5.959 15.431 -18.236 481 1HG MET 63 2HG MET 63 -8.448 15.846 -18.871 482 2HG MET 63 1HG MET 63 -8.647 14.118 -18.579 483 1HE MET 63 1HE MET 63 -9.572 14.038 -15.134 484 2HE MET 63 2HE MET 63 -8.571 12.985 -16.130 485 3HE MET 63 3HE MET 63 -9.962 13.796 -16.842 486 H GLY 64 H GLY 64 -4.654 13.207 -20.095 487 1HA GLY 64 2HA GLY 64 -2.678 13.890 -21.858 488 2HA GLY 64 1HA GLY 64 -2.386 15.012 -20.528 489 H PHE 65 H PHE 65 -3.398 11.580 -20.573 490 HA PHE 65 HA PHE 65 -0.999 10.996 -18.882 491 1HB PHE 65 2HB PHE 65 -3.862 10.089 -18.603 492 2HB PHE 65 1HB PHE 65 -2.542 9.131 -17.931 493 HD1 PHE 65 HD1 PHE 65 -4.098 12.517 -17.903 494 HD2 PHE 65 HD2 PHE 65 -1.457 9.773 -15.917 495 HE1 PHE 65 HE1 PHE 65 -3.993 14.034 -15.943 496 HE2 PHE 65 HE2 PHE 65 -1.352 11.290 -13.959 497 HZ PHE 65 HZ PHE 65 -2.619 13.421 -13.972 498 H GLU 66 H GLU 66 0.258 9.335 -19.622 499 HA GLU 66 HA GLU 66 -0.346 8.127 -22.187 500 1HB GLU 66 2HB GLU 66 1.879 8.040 -20.220 501 2HB GLU 66 1HB GLU 66 1.706 6.623 -21.255 502 1HG GLU 66 2HG GLU 66 1.661 9.414 -22.402 503 2HG GLU 66 1HG GLU 66 3.179 8.556 -22.131 504 H VAL 67 H VAL 67 -2.458 7.161 -21.532 505 HA VAL 67 HA VAL 67 -2.739 5.152 -19.553 506 HB VAL 67 HB VAL 67 -4.580 6.261 -20.936 507 1HG1 VAL 67 1HG1 VAL 67 -5.169 5.193 -23.045 508 2HG1 VAL 67 2HG1 VAL 67 -3.835 4.051 -22.876 509 3HG1 VAL 67 3HG1 VAL 67 -3.504 5.763 -23.139 510 1HG2 VAL 67 1HG2 VAL 67 -4.765 3.244 -20.898 511 2HG2 VAL 67 2HG2 VAL 67 -6.050 4.419 -20.613 512 3HG2 VAL 67 3HG2 VAL 67 -4.778 4.194 -19.411 513 H LEU 68 H LEU 68 -2.310 2.945 -19.552 514 HA LEU 68 HA LEU 68 -0.848 1.907 -21.948 515 1HB LEU 68 2HB LEU 68 0.372 2.177 -19.667 516 2HB LEU 68 1HB LEU 68 -0.574 0.775 -19.168 517 HG LEU 68 HG LEU 68 0.333 -0.103 -21.567 518 1HD1 LEU 68 1HD1 LEU 68 2.419 0.720 -22.138 519 2HD1 LEU 68 2HD1 LEU 68 2.783 1.237 -20.492 520 3HD1 LEU 68 3HD1 LEU 68 1.688 2.190 -21.494 521 1HD2 LEU 68 1HD2 LEU 68 0.546 -1.409 -19.571 522 2HD2 LEU 68 2HD2 LEU 68 1.629 -0.228 -18.833 523 3HD2 LEU 68 3HD2 LEU 68 2.184 -1.206 -20.193 524 H GLU 69 H GLU 69 -1.497 -0.085 -22.778 525 HA GLU 69 HA GLU 69 -4.151 -0.948 -22.455 526 1HB GLU 69 2HB GLU 69 -2.455 -1.602 -24.276 527 2HB GLU 69 1HB GLU 69 -1.897 -2.838 -23.148 528 1HG GLU 69 2HG GLU 69 -3.875 -4.042 -23.270 529 2HG GLU 69 1HG GLU 69 -4.836 -2.624 -23.689 530 H ALA 70 H ALA 70 -5.082 -2.710 -21.277 531 HA ALA 70 HA ALA 70 -3.647 -3.287 -18.743 532 1HB ALA 70 1HB ALA 70 -5.850 -2.525 -18.321 533 2HB ALA 70 2HB ALA 70 -5.954 -4.275 -18.134 534 3HB ALA 70 3HB ALA 70 -6.528 -3.512 -19.617 535 H GLU 71 H GLU 71 -4.367 -5.642 -17.903 536 HA GLU 71 HA GLU 71 -4.410 -7.673 -20.013 537 1HB GLU 71 2HB GLU 71 -1.999 -7.025 -19.897 538 2HB GLU 71 1HB GLU 71 -1.995 -7.462 -18.188 539 1HG GLU 71 2HG GLU 71 -3.031 -9.731 -19.183 540 2HG GLU 71 1HG GLU 71 -2.105 -9.217 -20.594 541 H GLU 72 H GLU 72 -5.030 -9.710 -19.168 542 HA GLU 72 HA GLU 72 -6.699 -9.942 -17.032 543 1HB GLU 72 2HB GLU 72 -4.724 -11.874 -18.193 544 2HB GLU 72 1HB GLU 72 -5.582 -12.329 -16.721 545 1HG GLU 72 2HG GLU 72 -6.885 -13.111 -18.602 546 2HG GLU 72 1HG GLU 72 -7.739 -11.745 -17.885 547 H THR 73 H THR 73 -6.492 -9.313 -14.944 548 HA THR 73 HA THR 73 -3.802 -9.602 -13.664 549 HB THR 73 HB THR 73 -5.454 -7.779 -12.206 550 HG1 THR 73 HG1 THR 73 -6.387 -6.661 -13.701 551 1HG2 THR 73 1HG2 THR 73 -3.032 -7.388 -13.983 552 2HG2 THR 73 2HG2 THR 73 -3.013 -7.741 -12.255 553 3HG2 THR 73 3HG2 THR 73 -3.640 -6.196 -12.834 554 H GLU 74 H GLU 74 -4.038 -9.779 -11.181 555 HA GLU 74 HA GLU 74 -6.486 -11.282 -10.403 556 1HB GLU 74 2HB GLU 74 -4.899 -13.010 -11.049 557 2HB GLU 74 1HB GLU 74 -3.634 -12.261 -10.075 558 1HG GLU 74 2HG GLU 74 -6.130 -12.850 -8.609 559 2HG GLU 74 1HG GLU 74 -5.255 -14.271 -9.181 560 H ASP 75 H ASP 75 -7.219 -10.408 -8.530 561 HA ASP 75 HA ASP 75 -5.206 -9.159 -6.698 562 1HB ASP 75 2HB ASP 75 -7.143 -7.789 -8.003 563 2HB ASP 75 1HB ASP 75 -8.037 -8.267 -6.560 564 H GLU 76 H GLU 76 -5.630 -11.802 -6.305 565 HA GLU 76 HA GLU 76 -6.624 -13.422 -4.884 566 1HB GLU 76 2HB GLU 76 -6.316 -11.082 -2.977 567 2HB GLU 76 1HB GLU 76 -6.383 -12.788 -2.535 568 1HG GLU 76 2HG GLU 76 -4.071 -12.322 -2.561 569 2HG GLU 76 1HG GLU 76 -4.359 -13.064 -4.135 570 H ASP 77 H ASP 77 -8.516 -11.431 -6.235 571 HA ASP 77 HA ASP 77 -10.880 -12.212 -4.668 572 1HB ASP 77 2HB ASP 77 -9.913 -9.882 -3.885 573 2HB ASP 77 1HB ASP 77 -10.676 -9.299 -5.365 574 H GLY 78 H GLY 78 -9.321 -11.447 -7.571 575 1HA GLY 78 2HA GLY 78 -11.937 -11.577 -9.016 576 2HA GLY 78 1HA GLY 78 -10.627 -10.534 -9.571 577 H ASN 79 H ASN 79 -8.437 -12.253 -9.199 578 HA ASN 79 HA ASN 79 -7.311 -14.033 -10.238 579 1HB ASN 79 2HB ASN 79 -9.327 -15.277 -9.143 580 2HB ASN 79 1HB ASN 79 -9.978 -15.326 -10.782 581 1HD2 ASN 79 1HD2 ASN 79 -8.231 -16.132 -12.483 582 2HD2 ASN 79 2HD2 ASN 79 -7.288 -17.454 -11.989 583 H LYS 80 H LYS 80 -9.673 -12.136 -11.727 584 HA LYS 80 HA LYS 80 -8.371 -12.366 -14.315 585 1HB LYS 80 2HB LYS 80 -9.959 -14.377 -14.192 586 2HB LYS 80 1HB LYS 80 -11.276 -13.204 -14.227 587 1HG LYS 80 2HG LYS 80 -9.333 -12.582 -16.280 588 2HG LYS 80 1HG LYS 80 -9.881 -14.251 -16.442 589 1HD LYS 80 2HD LYS 80 -12.206 -13.540 -16.473 590 2HD LYS 80 1HD LYS 80 -11.736 -11.872 -16.150 591 1HE LYS 80 2HE LYS 80 -11.355 -11.492 -18.336 592 2HE LYS 80 1HE LYS 80 -10.292 -12.896 -18.442 593 1HZ LYS 80 1HZ LYS 80 -11.988 -13.483 -19.846 594 2HZ LYS 80 2HZ LYS 80 -13.187 -12.713 -18.921 595 3HZ LYS 80 3HZ LYS 80 -12.523 -14.187 -18.399 596 H LEU 81 H LEU 81 -8.253 -10.061 -13.529 597 HA LEU 81 HA LEU 81 -10.748 -8.595 -14.288 598 1HB LEU 81 2HB LEU 81 -10.167 -6.880 -12.629 599 2HB LEU 81 1HB LEU 81 -10.323 -8.454 -11.847 600 HG LEU 81 HG LEU 81 -7.613 -8.053 -12.801 601 1HD1 LEU 81 1HD1 LEU 81 -7.801 -5.723 -12.496 602 2HD1 LEU 81 2HD1 LEU 81 -7.163 -6.285 -10.950 603 3HD1 LEU 81 3HD1 LEU 81 -8.878 -5.901 -11.111 604 1HD2 LEU 81 1HD2 LEU 81 -8.097 -9.700 -11.131 605 2HD2 LEU 81 2HD2 LEU 81 -8.949 -8.528 -10.127 606 3HD2 LEU 81 3HD2 LEU 81 -7.198 -8.427 -10.306 607 H LEU 82 H LEU 82 -10.269 -6.349 -15.093 608 HA LEU 82 HA LEU 82 -7.857 -6.427 -16.818 609 1HB LEU 82 2HB LEU 82 -10.384 -4.772 -16.823 610 2HB LEU 82 1HB LEU 82 -9.002 -4.367 -17.842 611 HG LEU 82 HG LEU 82 -9.102 -6.809 -18.648 612 1HD1 LEU 82 1HD1 LEU 82 -11.659 -6.547 -17.083 613 2HD1 LEU 82 2HD1 LEU 82 -10.522 -7.895 -17.132 614 3HD1 LEU 82 3HD1 LEU 82 -11.595 -7.597 -18.499 615 1HD2 LEU 82 1HD2 LEU 82 -10.517 -6.187 -20.422 616 2HD2 LEU 82 2HD2 LEU 82 -9.985 -4.629 -19.792 617 3HD2 LEU 82 3HD2 LEU 82 -11.579 -5.252 -19.370 618 H CYS 83 H CYS 83 -6.122 -5.101 -16.449 619 HA CYS 83 HA CYS 83 -6.490 -2.817 -14.566 620 1HB CYS 83 2HB CYS 83 -5.508 -4.616 -13.262 621 2HB CYS 83 1HB CYS 83 -4.279 -4.886 -14.499 622 HG CYS 83 HG CYS 83 -3.235 -3.331 -12.663 623 H PHE 84 H PHE 84 -6.104 -1.080 -15.885 624 HA PHE 84 HA PHE 84 -3.904 -1.285 -17.877 625 1HB PHE 84 2HB PHE 84 -4.849 1.014 -18.584 626 2HB PHE 84 1HB PHE 84 -5.841 -0.405 -18.914 627 HD1 PHE 84 HD1 PHE 84 -5.855 2.833 -17.535 628 HD2 PHE 84 HD2 PHE 84 -7.459 -1.101 -16.905 629 HE1 PHE 84 HE1 PHE 84 -7.702 3.802 -16.191 630 HE2 PHE 84 HE2 PHE 84 -9.306 -0.132 -15.559 631 HZ PHE 84 HZ PHE 84 -9.426 2.319 -15.204 632 H ASP 85 H ASP 85 -2.485 0.734 -18.044 633 HA ASP 85 HA ASP 85 -2.007 1.866 -15.315 634 1HB ASP 85 2HB ASP 85 0.250 1.447 -17.247 635 2HB ASP 85 1HB ASP 85 0.284 1.496 -15.484 636 H ALA 86 H ALA 86 -1.112 4.019 -15.285 637 HA ALA 86 HA ALA 86 -1.356 5.479 -17.883 638 1HB ALA 86 1HB ALA 86 -3.235 5.766 -16.039 639 2HB ALA 86 2HB ALA 86 -2.632 7.169 -16.922 640 3HB ALA 86 3HB ALA 86 -2.041 6.828 -15.295 641 H THR 87 H THR 87 0.245 7.020 -18.254 642 HA THR 87 HA THR 87 2.284 7.343 -16.087 643 HB THR 87 HB THR 87 3.600 7.738 -18.529 644 HG1 THR 87 HG1 THR 87 3.086 5.617 -19.478 645 1HG2 THR 87 1HG2 THR 87 4.790 5.685 -17.907 646 2HG2 THR 87 2HG2 THR 87 3.492 5.255 -16.795 647 3HG2 THR 87 3HG2 THR 87 4.491 6.674 -16.478 648 H MET 88 H MET 88 3.516 9.397 -16.252 649 HA MET 88 HA MET 88 2.451 11.497 -17.996 650 1HB MET 88 2HB MET 88 0.923 11.205 -15.867 651 2HB MET 88 1HB MET 88 2.235 12.059 -15.053 652 1HG MET 88 2HG MET 88 2.068 13.885 -16.716 653 2HG MET 88 1HG MET 88 0.733 13.039 -17.500 654 1HE MET 88 1HE MET 88 -1.449 14.532 -17.138 655 2HE MET 88 2HE MET 88 0.005 15.525 -17.192 656 3HE MET 88 3HE MET 88 -1.239 15.862 -15.992 657 H GLN 89 H GLN 89 4.257 12.590 -18.574 658 HA GLN 89 HA GLN 89 6.716 12.398 -17.037 659 1HB GLN 89 2HB GLN 89 5.849 13.763 -19.560 660 2HB GLN 89 1HB GLN 89 7.329 14.316 -18.775 661 1HG GLN 89 2HG GLN 89 7.681 12.496 -20.493 662 2HG GLN 89 1HG GLN 89 8.300 12.112 -18.887 663 1HE2 GLN 89 1HE2 GLN 89 5.065 11.871 -20.495 664 2HE2 GLN 89 2HE2 GLN 89 4.779 10.274 -19.993 665 H SER 90 H SER 90 7.377 13.759 -15.430 666 HA SER 90 HA SER 90 6.633 16.563 -15.370 667 1HB SER 90 2HB SER 90 5.058 16.605 -13.670 668 2HB SER 90 1HB SER 90 4.610 15.100 -14.468 669 HG SER 90 HG SER 90 4.834 14.789 -12.234 670 H ALA 91 H ALA 91 7.707 17.686 -13.598 671 HA ALA 91 HA ALA 91 10.285 16.638 -12.966 672 1HB ALA 91 1HB ALA 91 10.333 18.921 -12.751 673 2HB ALA 91 2HB ALA 91 9.967 18.542 -11.068 674 3HB ALA 91 3HB ALA 91 8.670 19.003 -12.171 675 H LEU 92 H LEU 92 10.995 16.542 -10.517 676 HA LEU 92 HA LEU 92 9.225 14.539 -9.241 677 1HB LEU 92 2HB LEU 92 11.691 14.113 -9.520 678 2HB LEU 92 1HB LEU 92 11.995 15.442 -8.401 679 HG LEU 92 HG LEU 92 10.169 14.011 -6.979 680 1HD1 LEU 92 1HD1 LEU 92 10.656 11.645 -7.191 681 2HD1 LEU 92 2HD1 LEU 92 11.884 11.965 -8.416 682 3HD1 LEU 92 3HD1 LEU 92 10.181 12.252 -8.777 683 1HD2 LEU 92 1HD2 LEU 92 12.091 14.604 -5.823 684 2HD2 LEU 92 2HD2 LEU 92 13.161 14.040 -7.106 685 3HD2 LEU 92 3HD2 LEU 92 12.386 12.878 -6.028 686 H ASP 93 H ASP 93 7.606 15.667 -8.166 687 HA ASP 93 HA ASP 93 8.503 17.353 -5.896 688 1HB ASP 93 2HB ASP 93 6.729 18.239 -8.160 689 2HB ASP 93 1HB ASP 93 6.505 18.919 -6.547 690 H ALA 94 H ALA 94 7.227 17.038 -4.093 691 HA ALA 94 HA ALA 94 5.339 14.858 -4.100 692 1HB ALA 94 1HB ALA 94 5.117 15.253 -1.773 693 2HB ALA 94 2HB ALA 94 5.527 16.961 -1.939 694 3HB ALA 94 3HB ALA 94 6.776 15.730 -2.136 695 H LYS 95 H LYS 95 5.003 18.393 -4.084 696 HA LYS 95 HA LYS 95 2.177 18.485 -3.699 697 1HB LYS 95 2HB LYS 95 3.941 20.375 -5.291 698 2HB LYS 95 1HB LYS 95 2.311 20.731 -4.719 699 1HG LYS 95 2HG LYS 95 3.927 19.758 -2.530 700 2HG LYS 95 1HG LYS 95 4.732 21.118 -3.314 701 1HD LYS 95 2HD LYS 95 2.531 22.367 -3.190 702 2HD LYS 95 1HD LYS 95 1.928 21.058 -2.173 703 1HE LYS 95 2HE LYS 95 2.927 23.101 -0.965 704 2HE LYS 95 1HE LYS 95 3.504 21.514 -0.458 705 1HZ LYS 95 1HZ LYS 95 5.311 23.114 -0.816 706 2HZ LYS 95 2HZ LYS 95 4.860 23.252 -2.448 707 3HZ LYS 95 3HZ LYS 95 5.431 21.770 -1.845 708 H LEU 96 H LEU 96 4.117 18.407 -6.699 709 HA LEU 96 HA LEU 96 1.875 18.392 -8.483 710 1HB LEU 96 2HB LEU 96 4.311 18.822 -9.086 711 2HB LEU 96 1HB LEU 96 4.554 17.077 -8.991 712 HG LEU 96 HG LEU 96 2.214 17.865 -10.592 713 1HD1 LEU 96 1HD1 LEU 96 3.704 19.723 -11.186 714 2HD1 LEU 96 2HD1 LEU 96 3.589 18.589 -12.531 715 3HD1 LEU 96 3HD1 LEU 96 5.018 18.590 -11.498 716 1HD2 LEU 96 1HD2 LEU 96 3.283 16.210 -12.145 717 2HD2 LEU 96 2HD2 LEU 96 3.035 15.571 -10.520 718 3HD2 LEU 96 3HD2 LEU 96 4.642 16.095 -11.026 719 H ILE 97 H ILE 97 4.004 15.650 -7.581 720 HA ILE 97 HA ILE 97 2.522 13.568 -8.671 721 HB ILE 97 HB ILE 97 4.017 13.676 -6.039 722 1HG1 ILE 97 2HG1 ILE 97 4.846 12.218 -8.535 723 2HG1 ILE 97 1HG1 ILE 97 5.097 13.961 -8.422 724 1HG2 ILE 97 1HG2 ILE 97 4.040 11.142 -6.310 725 2HG2 ILE 97 2HG2 ILE 97 2.758 11.345 -7.502 726 3HG2 ILE 97 3HG2 ILE 97 2.493 11.838 -5.830 727 1HD1 ILE 97 1HD1 ILE 97 6.802 12.010 -7.418 728 2HD1 ILE 97 2HD1 ILE 97 5.920 12.560 -5.992 729 3HD1 ILE 97 3HD1 ILE 97 6.816 13.717 -6.976 730 H ASP 98 H ASP 98 1.948 15.238 -5.585 731 HA ASP 98 HA ASP 98 -0.211 13.588 -4.701 732 1HB ASP 98 2HB ASP 98 0.375 16.520 -4.192 733 2HB ASP 98 1HB ASP 98 -0.857 15.594 -3.335 734 H GLU 99 H GLU 99 -0.069 16.350 -6.897 735 HA GLU 99 HA GLU 99 -2.909 16.754 -7.099 736 1HB GLU 99 2HB GLU 99 -0.489 17.683 -8.485 737 2HB GLU 99 1HB GLU 99 -1.896 17.545 -9.542 738 1HG GLU 99 2HG GLU 99 -1.849 19.023 -6.893 739 2HG GLU 99 1HG GLU 99 -1.760 19.786 -8.481 740 H GLN 100 H GLN 100 -0.623 15.034 -9.263 741 HA GLN 100 HA GLN 100 -2.469 14.044 -11.121 742 1HB GLN 100 2HB GLN 100 -0.067 12.590 -9.967 743 2HB GLN 100 1HB GLN 100 -0.891 12.166 -11.466 744 1HG GLN 100 2HG GLN 100 -0.380 14.443 -12.350 745 2HG GLN 100 1HG GLN 100 0.535 14.776 -10.879 746 1HE2 GLN 100 1HE2 GLN 100 1.570 14.569 -13.693 747 2HE2 GLN 100 2HE2 GLN 100 2.746 13.345 -13.654 748 H VAL 101 H VAL 101 -1.743 12.859 -7.866 749 HA VAL 101 HA VAL 101 -3.380 10.478 -8.101 750 HB VAL 101 HB VAL 101 -2.481 11.969 -5.616 751 1HG1 VAL 101 1HG1 VAL 101 -3.805 9.327 -6.127 752 2HG1 VAL 101 2HG1 VAL 101 -4.105 10.494 -4.840 753 3HG1 VAL 101 3HG1 VAL 101 -2.671 9.469 -4.784 754 1HG2 VAL 101 1HG2 VAL 101 -0.514 10.700 -5.657 755 2HG2 VAL 101 2HG2 VAL 101 -0.747 11.060 -7.368 756 3HG2 VAL 101 3HG2 VAL 101 -1.207 9.481 -6.727 757 H GLU 102 H GLU 102 -3.940 13.807 -7.076 758 HA GLU 102 HA GLU 102 -6.537 13.341 -5.915 759 1HB GLU 102 2HB GLU 102 -4.806 15.583 -6.392 760 2HB GLU 102 1HB GLU 102 -6.419 15.978 -6.988 761 1HG GLU 102 2HG GLU 102 -7.418 15.613 -4.877 762 2HG GLU 102 1HG GLU 102 -6.021 14.719 -4.275 763 H LYS 103 H LYS 103 -5.457 14.298 -9.171 764 HA LYS 103 HA LYS 103 -8.138 14.584 -10.218 765 1HB LYS 103 2HB LYS 103 -5.438 14.212 -11.535 766 2HB LYS 103 1HB LYS 103 -6.929 14.399 -12.459 767 1HG LYS 103 2HG LYS 103 -7.187 16.486 -10.754 768 2HG LYS 103 1HG LYS 103 -5.428 16.404 -10.863 769 1HD LYS 103 2HD LYS 103 -5.978 16.160 -13.468 770 2HD LYS 103 1HD LYS 103 -7.431 17.037 -12.984 771 1HE LYS 103 2HE LYS 103 -5.648 18.604 -13.653 772 2HE LYS 103 1HE LYS 103 -6.029 18.782 -11.940 773 1HZ LYS 103 1HZ LYS 103 -3.572 18.569 -12.731 774 2HZ LYS 103 2HZ LYS 103 -3.920 16.906 -12.739 775 3HZ LYS 103 3HZ LYS 103 -4.081 17.803 -11.305 776 H LEU 104 H LEU 104 -5.705 11.969 -10.437 777 HA LEU 104 HA LEU 104 -7.356 10.192 -11.957 778 1HB LEU 104 2HB LEU 104 -5.028 9.714 -10.084 779 2HB LEU 104 1HB LEU 104 -5.818 8.406 -10.966 780 HG LEU 104 HG LEU 104 -4.551 10.861 -12.217 781 1HD1 LEU 104 1HD1 LEU 104 -2.748 9.492 -12.839 782 2HD1 LEU 104 2HD1 LEU 104 -3.659 8.006 -12.568 783 3HD1 LEU 104 3HD1 LEU 104 -3.090 8.955 -11.194 784 1HD2 LEU 104 1HD2 LEU 104 -6.267 8.646 -13.239 785 2HD2 LEU 104 2HD2 LEU 104 -4.906 9.130 -14.249 786 3HD2 LEU 104 3HD2 LEU 104 -6.134 10.313 -13.799 787 H VAL 105 H VAL 105 -7.067 10.789 -8.486 788 HA VAL 105 HA VAL 105 -8.659 8.513 -7.685 789 HB VAL 105 HB VAL 105 -7.776 11.061 -6.348 790 1HG1 VAL 105 1HG1 VAL 105 -8.898 10.040 -4.265 791 2HG1 VAL 105 2HG1 VAL 105 -9.852 9.082 -5.398 792 3HG1 VAL 105 3HG1 VAL 105 -9.954 10.843 -5.428 793 1HG2 VAL 105 1HG2 VAL 105 -6.298 9.687 -5.249 794 2HG2 VAL 105 2HG2 VAL 105 -6.546 8.675 -6.672 795 3HG2 VAL 105 3HG2 VAL 105 -7.437 8.342 -5.187 796 H ASN 106 H ASN 106 -9.460 12.010 -7.818 797 HA ASN 106 HA ASN 106 -12.222 11.748 -7.308 798 1HB ASN 106 2HB ASN 106 -10.844 13.749 -9.128 799 2HB ASN 106 1HB ASN 106 -12.467 13.924 -8.456 800 1HD2 ASN 106 1HD2 ASN 106 -12.125 15.659 -6.994 801 2HD2 ASN 106 2HD2 ASN 106 -11.012 15.602 -5.714 802 H LEU 107 H LEU 107 -10.472 11.582 -10.406 803 HA LEU 107 HA LEU 107 -12.823 11.253 -12.029 804 1HB LEU 107 2HB LEU 107 -10.803 11.888 -13.142 805 2HB LEU 107 1HB LEU 107 -9.915 10.527 -12.453 806 HG LEU 107 HG LEU 107 -12.323 9.776 -13.989 807 1HD1 LEU 107 1HD1 LEU 107 -9.875 10.867 -15.411 808 2HD1 LEU 107 2HD1 LEU 107 -11.431 11.694 -15.320 809 3HD1 LEU 107 3HD1 LEU 107 -11.300 10.155 -16.171 810 1HD2 LEU 107 1HD2 LEU 107 -10.282 8.403 -12.963 811 2HD2 LEU 107 2HD2 LEU 107 -9.542 8.799 -14.514 812 3HD2 LEU 107 3HD2 LEU 107 -11.055 7.894 -14.464 813 H ALA 108 H ALA 108 -10.625 8.947 -10.451 814 HA ALA 108 HA ALA 108 -11.715 6.567 -11.541 815 1HB ALA 108 1HB ALA 108 -9.994 7.299 -9.303 816 2HB ALA 108 2HB ALA 108 -9.957 5.854 -10.314 817 3HB ALA 108 3HB ALA 108 -11.029 5.925 -8.915 818 H GLU 109 H GLU 109 -12.510 8.134 -8.417 819 HA GLU 109 HA GLU 109 -14.733 6.404 -7.861 820 1HB GLU 109 2HB GLU 109 -13.975 9.161 -6.868 821 2HB GLU 109 1HB GLU 109 -15.407 8.308 -6.290 822 1HG GLU 109 2HG GLU 109 -12.653 7.058 -6.243 823 2HG GLU 109 1HG GLU 109 -13.285 8.004 -4.894 824 H LYS 110 H LYS 110 -14.361 9.158 -9.932 825 HA LYS 110 HA LYS 110 -17.160 9.905 -10.023 826 1HB LYS 110 2HB LYS 110 -15.192 11.365 -10.715 827 2HB LYS 110 1HB LYS 110 -15.084 10.381 -12.175 828 1HG LYS 110 2HG LYS 110 -16.892 11.374 -13.108 829 2HG LYS 110 1HG LYS 110 -17.813 11.294 -11.605 830 1HD LYS 110 2HD LYS 110 -16.581 13.249 -10.740 831 2HD LYS 110 1HD LYS 110 -15.661 13.335 -12.242 832 1HE LYS 110 2HE LYS 110 -17.635 14.912 -12.132 833 2HE LYS 110 1HE LYS 110 -17.643 13.825 -13.520 834 1HZ LYS 110 1HZ LYS 110 -19.174 13.507 -10.998 835 2HZ LYS 110 2HZ LYS 110 -19.087 12.325 -12.214 836 3HZ LYS 110 3HZ LYS 110 -19.804 13.830 -12.540 837 H PHE 111 H PHE 111 -15.183 7.519 -11.656 838 HA PHE 111 HA PHE 111 -17.391 6.949 -13.561 839 1HB PHE 111 2HB PHE 111 -14.481 6.238 -13.425 840 2HB PHE 111 1HB PHE 111 -15.572 5.193 -14.336 841 HD1 PHE 111 HD1 PHE 111 -15.745 5.667 -16.603 842 HD2 PHE 111 HD2 PHE 111 -15.063 8.887 -13.842 843 HE1 PHE 111 HE1 PHE 111 -15.718 7.279 -18.489 844 HE2 PHE 111 HE2 PHE 111 -15.037 10.498 -15.728 845 HZ PHE 111 HZ PHE 111 -15.365 9.694 -18.051 846 H ASP 112 H ASP 112 -15.145 4.702 -11.931 847 HA ASP 112 HA ASP 112 -16.835 3.518 -10.069 848 1HB ASP 112 2HB ASP 112 -17.711 2.990 -12.797 849 2HB ASP 112 1HB ASP 112 -17.343 1.495 -11.936 850 H ILE 113 H ILE 113 -14.012 3.856 -10.799 851 HA ILE 113 HA ILE 113 -13.159 0.987 -10.773 852 HB ILE 113 HB ILE 113 -11.085 1.670 -11.806 853 1HG1 ILE 113 2HG1 ILE 113 -12.138 4.441 -11.236 854 2HG1 ILE 113 1HG1 ILE 113 -10.588 3.743 -10.769 855 1HG2 ILE 113 1HG2 ILE 113 -13.409 1.627 -13.115 856 2HG2 ILE 113 2HG2 ILE 113 -11.912 2.093 -13.925 857 3HG2 ILE 113 3HG2 ILE 113 -13.030 3.333 -13.354 858 1HD1 ILE 113 1HD1 ILE 113 -9.900 5.005 -12.579 859 2HD1 ILE 113 2HD1 ILE 113 -11.449 4.848 -13.409 860 3HD1 ILE 113 3HD1 ILE 113 -10.308 3.502 -13.409 861 H ILE 114 H ILE 114 -10.816 0.914 -9.684 862 HA ILE 114 HA ILE 114 -10.952 2.553 -7.184 863 HB ILE 114 HB ILE 114 -11.547 0.410 -6.433 864 1HG1 ILE 114 2HG1 ILE 114 -9.633 -0.410 -5.193 865 2HG1 ILE 114 1HG1 ILE 114 -8.515 0.332 -6.338 866 1HG2 ILE 114 1HG2 ILE 114 -10.054 -0.411 -8.807 867 2HG2 ILE 114 2HG2 ILE 114 -11.377 -1.231 -7.977 868 3HG2 ILE 114 3HG2 ILE 114 -9.718 -1.445 -7.418 869 1HD1 ILE 114 1HD1 ILE 114 -9.226 1.525 -4.027 870 2HD1 ILE 114 2HD1 ILE 114 -10.509 2.139 -5.070 871 3HD1 ILE 114 3HD1 ILE 114 -8.821 2.439 -5.480 872 H TYR 115 H TYR 115 -9.260 3.956 -7.339 873 HA TYR 115 HA TYR 115 -6.776 3.123 -8.705 874 1HB TYR 115 2HB TYR 115 -7.190 5.317 -9.304 875 2HB TYR 115 1HB TYR 115 -7.952 5.704 -7.763 876 HD1 TYR 115 HD1 TYR 115 -6.641 6.390 -5.840 877 HD2 TYR 115 HD2 TYR 115 -4.732 5.284 -9.525 878 HE1 TYR 115 HE1 TYR 115 -4.506 7.352 -5.022 879 HE2 TYR 115 HE2 TYR 115 -2.597 6.245 -8.707 880 HH TYR 115 HH TYR 115 -1.610 7.415 -7.093 881 H ASP 116 H ASP 116 -5.243 2.088 -7.523 882 HA ASP 116 HA ASP 116 -4.458 3.142 -4.904 883 1HB ASP 116 2HB ASP 116 -6.437 1.533 -4.531 884 2HB ASP 116 1HB ASP 116 -5.326 0.251 -5.015 885 H GLY 117 H GLY 117 -2.596 3.373 -6.500 886 1HA GLY 117 2HA GLY 117 -0.517 1.577 -5.934 887 2HA GLY 117 1HA GLY 117 -1.221 1.028 -7.455 888 H TRP 118 H TRP 118 0.681 3.514 -5.927 889 HA TRP 118 HA TRP 118 1.143 4.707 -8.630 890 1HB TRP 118 2HB TRP 118 0.934 6.834 -7.818 891 2HB TRP 118 1HB TRP 118 -0.043 6.047 -6.582 892 HD1 TRP 118 HD1 TRP 118 1.122 5.568 -4.210 893 HE1 TRP 118 HE1 TRP 118 3.114 6.712 -3.039 894 HE3 TRP 118 HE3 TRP 118 3.200 8.003 -8.187 895 HZ2 TRP 118 HZ2 TRP 118 5.301 8.437 -3.704 896 HZ3 TRP 118 HZ3 TRP 118 5.233 9.388 -7.892 897 HH2 TRP 118 HH2 TRP 118 6.286 9.608 -5.659 898 H GLY 119 H GLY 119 3.271 4.788 -9.253 899 1HA GLY 119 2HA GLY 119 5.382 4.542 -7.182 900 2HA GLY 119 1HA GLY 119 5.328 3.312 -8.445 901 H THR 120 H THR 120 7.519 5.131 -8.038 902 HA THR 120 HA THR 120 7.378 6.628 -10.622 903 HB THR 120 HB THR 120 7.305 8.293 -8.876 904 HG1 THR 120 HG1 THR 120 9.910 8.672 -9.142 905 1HG2 THR 120 1HG2 THR 120 9.841 7.611 -7.580 906 2HG2 THR 120 2HG2 THR 120 8.600 6.379 -7.353 907 3HG2 THR 120 3HG2 THR 120 8.292 8.044 -6.858 908 H TYR 121 H TYR 121 8.975 6.037 -12.013 909 HA TYR 121 HA TYR 121 10.873 3.995 -11.350 910 1HB TYR 121 2HB TYR 121 10.112 5.528 -13.693 911 2HB TYR 121 1HB TYR 121 11.866 5.376 -13.595 912 HD1 TYR 121 HD1 TYR 121 8.865 3.768 -14.595 913 HD2 TYR 121 HD2 TYR 121 12.773 2.975 -12.998 914 HE1 TYR 121 HE1 TYR 121 8.708 1.418 -15.375 915 HE2 TYR 121 HE2 TYR 121 12.616 0.627 -13.777 916 HH TYR 121 HH TYR 121 10.316 -0.426 -15.986 917 H TYR 122 H TYR 122 13.313 4.361 -11.667 918 HA TYR 122 HA TYR 122 14.151 7.011 -10.578 919 1HB TYR 122 2HB TYR 122 14.275 5.713 -8.627 920 2HB TYR 122 1HB TYR 122 14.755 4.263 -9.508 921 HD1 TYR 122 HD1 TYR 122 16.826 3.707 -8.482 922 HD2 TYR 122 HD2 TYR 122 16.128 7.706 -9.887 923 HE1 TYR 122 HE1 TYR 122 19.213 4.258 -8.099 924 HE2 TYR 122 HE2 TYR 122 18.515 8.257 -9.503 925 HH TYR 122 HH TYR 122 20.879 5.981 -9.069 926 H GLU 123 H GLU 123 15.009 7.630 -12.601 927 HA GLU 123 HA GLU 123 16.746 5.881 -14.135 928 1HB GLU 123 2HB GLU 123 16.796 8.868 -14.417 929 2HB GLU 123 1HB GLU 123 16.879 7.628 -15.671 930 1HG GLU 123 2HG GLU 123 14.493 7.028 -15.128 931 2HG GLU 123 1HG GLU 123 14.441 8.429 -14.058 932 H GLY 124 H GLY 124 18.994 5.819 -14.146 933 1HA GLY 124 2HA GLY 124 21.138 6.997 -13.628 934 2HA GLY 124 1HA GLY 124 20.372 7.563 -12.143 935 H LEU 125 H LEU 125 21.007 4.444 -13.796 936 HA LEU 125 HA LEU 125 21.323 3.181 -11.128 937 1HB LEU 125 2HB LEU 125 21.117 2.058 -13.933 938 2HB LEU 125 1HB LEU 125 21.483 1.061 -12.525 939 HG LEU 125 HG LEU 125 19.284 2.585 -11.726 940 1HD1 LEU 125 1HD1 LEU 125 18.773 3.315 -13.954 941 2HD1 LEU 125 2HD1 LEU 125 17.642 2.013 -13.585 942 3HD1 LEU 125 3HD1 LEU 125 19.042 1.702 -14.612 943 1HD2 LEU 125 1HD2 LEU 125 18.089 0.408 -11.884 944 2HD2 LEU 125 2HD2 LEU 125 19.696 0.227 -11.179 945 3HD2 LEU 125 3HD2 LEU 125 19.413 -0.229 -12.860 946 H GLU 126 H GLU 126 23.309 2.590 -10.350 947 HA GLU 126 HA GLU 126 25.677 3.426 -11.875 948 1HB GLU 126 2HB GLU 126 25.104 2.576 -9.072 949 2HB GLU 126 1HB GLU 126 26.745 2.335 -9.675 950 1HG GLU 126 2HG GLU 126 25.357 4.974 -10.081 951 2HG GLU 126 1HG GLU 126 26.150 4.614 -8.546 952 H HIS 127 H HIS 127 26.024 0.639 -9.855 953 HA HIS 127 HA HIS 127 26.219 -1.105 -12.273 954 1HB HIS 127 2HB HIS 127 28.169 -1.323 -9.983 955 2HB HIS 127 1HB HIS 127 28.327 -1.940 -11.628 956 HD2 HIS 127 HD2 HIS 127 28.871 1.413 -9.666 957 HE1 HIS 127 HE1 HIS 127 30.086 2.034 -13.663 958 HE2 HIS 127 HE2 HIS 127 30.037 3.043 -11.337 959 H HIS 128 H HIS 128 25.847 -3.365 -11.835 960 HA HIS 128 HA HIS 128 24.438 -3.835 -9.239 961 1HB HIS 128 2HB HIS 128 23.181 -3.984 -11.525 962 2HB HIS 128 1HB HIS 128 24.033 -5.519 -11.704 963 HD2 HIS 128 HD2 HIS 128 23.228 -7.553 -9.860 964 HE1 HIS 128 HE1 HIS 128 19.998 -5.376 -8.225 965 HE2 HIS 128 HE2 HIS 128 21.115 -7.652 -8.332 966 H HIS 129 H HIS 129 24.646 -6.745 -10.707 967 HA HIS 129 HA HIS 129 26.469 -7.883 -8.887 968 1HB HIS 129 2HB HIS 129 26.723 -9.680 -10.761 969 2HB HIS 129 1HB HIS 129 25.131 -9.432 -10.047 970 HD2 HIS 129 HD2 HIS 129 24.246 -10.352 -12.749 971 HE1 HIS 129 HE1 HIS 129 24.948 -6.560 -14.469 972 HE2 HIS 129 HE2 HIS 129 23.827 -8.810 -14.810 973 H HIS 130 H HIS 130 28.477 -9.212 -10.185 974 HA HIS 130 HA HIS 130 30.708 -8.889 -10.847 975 1HB HIS 130 2HB HIS 130 29.483 -8.494 -13.015 976 2HB HIS 130 1HB HIS 130 29.500 -6.770 -12.647 977 HD2 HIS 130 HD2 HIS 130 32.784 -8.475 -11.595 978 HE1 HIS 130 HE1 HIS 130 33.508 -6.721 -15.369 979 HE2 HIS 130 HE2 HIS 130 34.592 -7.827 -13.360 980 H HIS 131 H HIS 131 31.975 -7.961 -9.300 981 HA HIS 131 HA HIS 131 33.074 -6.284 -8.081 982 1HB HIS 131 2HB HIS 131 32.766 -5.255 -10.629 983 2HB HIS 131 1HB HIS 131 32.024 -4.014 -9.621 984 HD2 HIS 131 HD2 HIS 131 35.452 -6.059 -9.306 985 HE1 HIS 131 HE1 HIS 131 36.111 -2.026 -8.240 986 HE2 HIS 131 HE2 HIS 131 37.206 -4.297 -8.517 987 H HIS 132 HN HIS 132 31.894 -6.344 -6.164 988 HA HIS 132 HA HIS 132 29.449 -4.630 -6.041 989 1HB HIS 132 2HB HIS 132 28.706 -5.963 -4.203 990 2HB HIS 132 1HB HIS 132 29.307 -7.106 -5.406 991 HD2 HIS 132 HD2 HIS 132 32.532 -6.944 -4.686 992 HE1 HIS 132 HE1 HIS 132 31.330 -7.974 -0.771 993 HE2 HIS 132 HE2 HIS 132 33.297 -7.864 -2.368 Start of MODEL 2 1 1H MET 1 1H MET 1 -23.318 -10.835 11.412 2 2H MET 1 2H MET 1 -22.828 -9.707 12.585 3 3H MET 1 3H MET 1 -21.712 -10.287 11.443 4 HA MET 1 HA MET 1 -24.086 -9.028 10.346 5 1HB MET 1 2HB MET 1 -22.848 -6.765 10.702 6 2HB MET 1 1HB MET 1 -23.809 -7.409 12.034 7 1HG MET 1 2HG MET 1 -21.782 -8.391 13.033 8 2HG MET 1 1HG MET 1 -20.815 -7.762 11.699 9 1HE MET 1 1HE MET 1 -23.155 -6.872 14.708 10 2HE MET 1 2HE MET 1 -22.034 -5.768 15.501 11 3HE MET 1 3HE MET 1 -21.520 -7.409 15.118 12 H SER 2 H SER 2 -23.641 -9.091 8.200 13 HA SER 2 HA SER 2 -20.767 -9.061 7.370 14 1HB SER 2 2HB SER 2 -23.105 -10.143 5.779 15 2HB SER 2 1HB SER 2 -21.390 -10.367 5.449 16 HG SER 2 HG SER 2 -22.972 -11.434 7.534 17 H HIS 3 H HIS 3 -23.262 -7.011 7.647 18 HA HIS 3 HA HIS 3 -22.552 -5.583 5.116 19 1HB HIS 3 2HB HIS 3 -24.939 -6.532 5.283 20 2HB HIS 3 1HB HIS 3 -25.210 -5.309 6.525 21 HD2 HIS 3 HD2 HIS 3 -26.497 -5.202 3.316 22 HE1 HIS 3 HE1 HIS 3 -24.129 -1.711 3.143 23 HE2 HIS 3 HE2 HIS 3 -26.038 -2.971 2.047 24 H GLN 4 H GLN 4 -20.859 -4.582 6.514 25 HA GLN 4 HA GLN 4 -21.693 -2.920 8.757 26 1HB GLN 4 2HB GLN 4 -19.276 -1.960 8.304 27 2HB GLN 4 1HB GLN 4 -19.470 -3.578 8.979 28 1HG GLN 4 2HG GLN 4 -19.562 -3.514 6.041 29 2HG GLN 4 1HG GLN 4 -18.019 -2.983 6.712 30 1HE2 GLN 4 1HE2 GLN 4 -17.661 -4.572 8.929 31 2HE2 GLN 4 2HE2 GLN 4 -17.654 -6.214 8.503 32 H ASP 5 H ASP 5 -20.232 -0.549 8.220 33 HA ASP 5 HA ASP 5 -21.486 0.592 5.784 34 1HB ASP 5 2HB ASP 5 -21.850 1.751 8.566 35 2HB ASP 5 1HB ASP 5 -22.406 2.490 7.063 36 H ASP 6 H ASP 6 -19.324 0.812 4.988 37 HA ASP 6 HA ASP 6 -17.610 2.728 6.515 38 1HB ASP 6 2HB ASP 6 -16.799 0.828 4.291 39 2HB ASP 6 1HB ASP 6 -15.718 1.814 5.277 40 H TYR 7 H TYR 7 -19.117 4.411 5.551 41 HA TYR 7 HA TYR 7 -19.483 4.962 2.851 42 1HB TYR 7 2HB TYR 7 -18.942 7.473 3.835 43 2HB TYR 7 1HB TYR 7 -20.495 6.649 3.987 44 HD1 TYR 7 HD1 TYR 7 -21.310 5.941 6.098 45 HD2 TYR 7 HD2 TYR 7 -17.224 7.202 5.690 46 HE1 TYR 7 HE1 TYR 7 -21.050 5.897 8.563 47 HE2 TYR 7 HE2 TYR 7 -16.964 7.159 8.157 48 HH TYR 7 HH TYR 7 -18.978 7.395 10.218 49 H LEU 8 H LEU 8 -18.204 5.736 1.186 50 HA LEU 8 HA LEU 8 -15.385 5.362 1.297 51 1HB LEU 8 2HB LEU 8 -15.618 7.024 -0.814 52 2HB LEU 8 1HB LEU 8 -16.078 5.323 -0.892 53 HG LEU 8 HG LEU 8 -18.072 7.376 0.029 54 1HD1 LEU 8 1HD1 LEU 8 -17.437 8.336 -2.044 55 2HD1 LEU 8 2HD1 LEU 8 -18.838 7.339 -2.436 56 3HD1 LEU 8 3HD1 LEU 8 -17.214 6.757 -2.800 57 1HD2 LEU 8 1HD2 LEU 8 -18.926 5.180 -1.700 58 2HD2 LEU 8 2HD2 LEU 8 -19.498 5.622 -0.091 59 3HD2 LEU 8 3HD2 LEU 8 -18.071 4.600 -0.269 60 H SER 9 H SER 9 -13.676 6.866 1.473 61 HA SER 9 HA SER 9 -14.355 9.684 2.085 62 1HB SER 9 2HB SER 9 -13.093 7.735 4.002 63 2HB SER 9 1HB SER 9 -12.694 9.448 4.090 64 HG SER 9 HG SER 9 -14.505 8.824 5.403 65 H VAL 10 H VAL 10 -13.257 9.584 -0.136 66 HA VAL 10 HA VAL 10 -10.631 8.829 -0.642 67 HB VAL 10 HB VAL 10 -10.550 10.841 -2.196 68 1HG1 VAL 10 1HG1 VAL 10 -12.789 8.831 -2.147 69 2HG1 VAL 10 2HG1 VAL 10 -11.374 8.889 -3.199 70 3HG1 VAL 10 3HG1 VAL 10 -12.701 10.024 -3.442 71 1HG2 VAL 10 1HG2 VAL 10 -13.403 11.382 -1.816 72 2HG2 VAL 10 2HG2 VAL 10 -12.064 12.515 -1.998 73 3HG2 VAL 10 3HG2 VAL 10 -12.438 11.838 -0.413 74 H GLU 11 H GLU 11 -11.713 11.288 1.538 75 HA GLU 11 HA GLU 11 -9.404 12.961 1.587 76 1HB GLU 11 2HB GLU 11 -11.584 13.450 2.743 77 2HB GLU 11 1HB GLU 11 -11.159 12.235 3.950 78 1HG GLU 11 2HG GLU 11 -9.336 13.492 4.753 79 2HG GLU 11 1HG GLU 11 -9.260 14.481 3.296 80 H GLU 12 H GLU 12 -10.145 9.930 3.286 81 HA GLU 12 HA GLU 12 -7.736 9.942 4.881 82 1HB GLU 12 2HB GLU 12 -9.339 7.524 4.008 83 2HB GLU 12 1HB GLU 12 -8.303 7.662 5.428 84 1HG GLU 12 2HG GLU 12 -10.497 9.661 5.169 85 2HG GLU 12 1HG GLU 12 -10.968 8.006 5.556 86 H LEU 13 H LEU 13 -8.602 8.517 1.743 87 HA LEU 13 HA LEU 13 -6.126 7.103 1.374 88 1HB LEU 13 2HB LEU 13 -7.827 8.214 -0.861 89 2HB LEU 13 1HB LEU 13 -6.848 6.747 -0.861 90 HG LEU 13 HG LEU 13 -9.217 7.135 0.981 91 1HD1 LEU 13 1HD1 LEU 13 -9.544 7.093 -1.676 92 2HD1 LEU 13 2HD1 LEU 13 -10.646 6.241 -0.594 93 3HD1 LEU 13 3HD1 LEU 13 -9.359 5.359 -1.414 94 1HD2 LEU 13 1HD2 LEU 13 -9.055 4.602 0.991 95 2HD2 LEU 13 2HD2 LEU 13 -7.694 5.432 1.747 96 3HD2 LEU 13 3HD2 LEU 13 -7.530 4.769 0.120 97 H ILE 14 H ILE 14 -7.229 10.335 0.352 98 HA ILE 14 HA ILE 14 -4.885 11.019 -1.127 99 HB ILE 14 HB ILE 14 -7.020 12.627 0.263 100 1HG1 ILE 14 2HG1 ILE 14 -6.267 12.841 -2.624 101 2HG1 ILE 14 1HG1 ILE 14 -7.071 11.363 -2.094 102 1HG2 ILE 14 1HG2 ILE 14 -5.392 14.227 0.516 103 2HG2 ILE 14 2HG2 ILE 14 -5.753 14.513 -1.186 104 3HG2 ILE 14 3HG2 ILE 14 -4.363 13.527 -0.733 105 1HD1 ILE 14 1HD1 ILE 14 -8.089 14.204 -1.856 106 2HD1 ILE 14 2HD1 ILE 14 -8.824 12.848 -1.001 107 3HD1 ILE 14 3HD1 ILE 14 -8.809 12.874 -2.764 108 H GLU 15 H GLU 15 -5.778 12.041 2.196 109 HA GLU 15 HA GLU 15 -3.452 13.313 2.961 110 1HB GLU 15 2HB GLU 15 -5.653 12.306 4.302 111 2HB GLU 15 1HB GLU 15 -4.317 11.391 5.003 112 1HG GLU 15 2HG GLU 15 -3.131 13.450 5.544 113 2HG GLU 15 1HG GLU 15 -4.372 14.410 4.738 114 H ILE 16 H ILE 16 -3.973 9.786 3.388 115 HA ILE 16 HA ILE 16 -1.410 9.080 4.233 116 HB ILE 16 HB ILE 16 -3.167 7.545 2.290 117 1HG1 ILE 16 2HG1 ILE 16 -2.953 7.170 5.281 118 2HG1 ILE 16 1HG1 ILE 16 -4.112 8.299 4.578 119 1HG2 ILE 16 1HG2 ILE 16 -1.344 6.192 2.218 120 2HG2 ILE 16 2HG2 ILE 16 -1.815 5.728 3.852 121 3HG2 ILE 16 3HG2 ILE 16 -0.595 6.977 3.608 122 1HD1 ILE 16 1HD1 ILE 16 -5.355 6.615 3.572 123 2HD1 ILE 16 2HD1 ILE 16 -4.804 5.785 5.028 124 3HD1 ILE 16 3HD1 ILE 16 -3.982 5.509 3.492 125 H GLN 17 H GLN 17 -2.527 9.433 0.856 126 HA GLN 17 HA GLN 17 -0.134 8.728 -0.451 127 1HB GLN 17 2HB GLN 17 -2.517 10.344 -1.097 128 2HB GLN 17 1HB GLN 17 -1.071 10.789 -2.005 129 1HG GLN 17 2HG GLN 17 -2.131 7.959 -1.754 130 2HG GLN 17 1HG GLN 17 -2.423 9.014 -3.136 131 1HE2 GLN 17 1HE2 GLN 17 -0.565 9.569 -4.512 132 2HE2 GLN 17 2HE2 GLN 17 0.865 8.658 -4.452 133 H LYS 18 H LYS 18 -1.162 12.109 0.143 134 HA LYS 18 HA LYS 18 1.082 13.517 -0.452 135 1HB LYS 18 2HB LYS 18 -0.462 13.817 2.143 136 2HB LYS 18 1HB LYS 18 0.584 15.045 1.429 137 1HG LYS 18 2HG LYS 18 -0.849 15.003 -0.623 138 2HG LYS 18 1HG LYS 18 -1.940 13.892 0.208 139 1HD LYS 18 2HD LYS 18 -2.378 15.549 1.941 140 2HD LYS 18 1HD LYS 18 -1.202 16.652 1.224 141 1HE LYS 18 2HE LYS 18 -2.895 16.000 -0.896 142 2HE LYS 18 1HE LYS 18 -3.983 16.183 0.481 143 1HZ LYS 18 1HZ LYS 18 -2.934 18.208 -0.998 144 2HZ LYS 18 2HZ LYS 18 -1.953 18.202 0.389 145 3HZ LYS 18 3HZ LYS 18 -3.638 18.366 0.536 146 H GLU 19 H GLU 19 0.693 11.582 2.515 147 HA GLU 19 HA GLU 19 3.333 12.224 3.521 148 1HB GLU 19 2HB GLU 19 1.047 10.897 4.488 149 2HB GLU 19 1HB GLU 19 2.321 9.677 4.468 150 1HG GLU 19 2HG GLU 19 3.809 11.408 5.616 151 2HG GLU 19 1HG GLU 19 2.344 12.357 5.869 152 H GLU 20 H GLU 20 2.080 9.050 2.421 153 HA GLU 20 HA GLU 20 4.360 7.594 2.162 154 1HB GLU 20 2HB GLU 20 1.867 7.727 0.621 155 2HB GLU 20 1HB GLU 20 3.223 7.086 -0.307 156 1HG GLU 20 2HG GLU 20 2.733 6.099 2.489 157 2HG GLU 20 1HG GLU 20 1.785 5.447 1.151 158 H THR 21 H THR 21 3.336 10.052 -0.221 159 HA THR 21 HA THR 21 5.574 9.760 -1.961 160 HB THR 21 HB THR 21 4.038 12.306 -1.360 161 HG1 THR 21 HG1 THR 21 3.553 10.303 -3.305 162 1HG2 THR 21 1HG2 THR 21 5.846 12.945 -2.691 163 2HG2 THR 21 2HG2 THR 21 4.621 12.570 -3.902 164 3HG2 THR 21 3HG2 THR 21 5.891 11.402 -3.543 165 H ARG 22 H ARG 22 5.052 12.263 0.554 166 HA ARG 22 HA ARG 22 7.471 13.554 0.558 167 1HB ARG 22 2HB ARG 22 5.514 12.851 2.638 168 2HB ARG 22 1HB ARG 22 7.138 13.130 3.266 169 1HG ARG 22 2HG ARG 22 7.232 15.314 2.233 170 2HG ARG 22 1HG ARG 22 5.706 15.030 1.392 171 1HD ARG 22 2HD ARG 22 5.106 14.540 4.071 172 2HD ARG 22 1HD ARG 22 6.169 15.944 4.126 173 HE ARG 22 HE ARG 22 3.477 16.112 3.464 174 1HH1 ARG 22 1HH2 ARG 22 6.471 16.734 1.855 175 2HH1 ARG 22 2HH2 ARG 22 5.795 17.914 0.784 176 1HH2 ARG 22 2HH1 ARG 22 2.593 17.650 2.080 177 2HH2 ARG 22 1HH1 ARG 22 3.605 18.433 0.913 178 H ASP 23 H ASP 23 6.873 10.477 2.289 179 HA ASP 23 HA ASP 23 9.526 10.065 3.182 180 1HB ASP 23 2HB ASP 23 7.309 8.727 3.644 181 2HB ASP 23 1HB ASP 23 7.840 7.752 2.274 182 H ILE 24 H ILE 24 7.989 9.182 0.095 183 HA ILE 24 HA ILE 24 10.301 7.784 -0.925 184 HB ILE 24 HB ILE 24 7.885 9.014 -2.269 185 1HG1 ILE 24 2HG1 ILE 24 8.734 6.125 -1.906 186 2HG1 ILE 24 1HG1 ILE 24 7.629 6.964 -0.818 187 1HG2 ILE 24 1HG2 ILE 24 9.314 9.061 -4.078 188 2HG2 ILE 24 2HG2 ILE 24 8.842 7.363 -4.152 189 3HG2 ILE 24 3HG2 ILE 24 10.373 7.822 -3.405 190 1HD1 ILE 24 1HD1 ILE 24 5.926 6.506 -2.213 191 2HD1 ILE 24 2HD1 ILE 24 7.037 5.707 -3.325 192 3HD1 ILE 24 3HD1 ILE 24 6.725 7.435 -3.480 193 H ILE 25 H ILE 25 8.943 10.904 -2.074 194 HA ILE 25 HA ILE 25 11.115 11.776 -3.563 195 HB ILE 25 HB ILE 25 9.041 13.195 -1.943 196 1HG1 ILE 25 2HG1 ILE 25 8.380 14.028 -4.084 197 2HG1 ILE 25 1HG1 ILE 25 9.931 13.600 -4.807 198 1HG2 ILE 25 1HG2 ILE 25 10.935 14.581 -1.426 199 2HG2 ILE 25 2HG2 ILE 25 10.062 15.386 -2.731 200 3HG2 ILE 25 3HG2 ILE 25 11.535 14.481 -3.082 201 1HD1 ILE 25 1HD1 ILE 25 7.826 12.042 -5.160 202 2HD1 ILE 25 2HD1 ILE 25 8.270 11.436 -3.564 203 3HD1 ILE 25 3HD1 ILE 25 9.421 11.336 -4.898 204 H GLN 26 H GLN 26 10.924 11.412 -0.117 205 HA GLN 26 HA GLN 26 13.142 13.152 0.544 206 1HB GLN 26 2HB GLN 26 11.592 11.013 1.956 207 2HB GLN 26 1HB GLN 26 13.145 11.511 2.629 208 1HG GLN 26 2HG GLN 26 11.336 13.709 1.792 209 2HG GLN 26 1HG GLN 26 10.815 12.775 3.196 210 1HE2 GLN 26 1HE2 GLN 26 11.483 13.863 5.050 211 2HE2 GLN 26 2HE2 GLN 26 13.005 14.584 5.263 212 H ALA 27 H ALA 27 12.898 9.576 0.385 213 HA ALA 27 HA ALA 27 15.663 9.054 0.692 214 1HB ALA 27 1HB ALA 27 13.355 7.542 0.188 215 2HB ALA 27 2HB ALA 27 14.981 6.917 0.469 216 3HB ALA 27 3HB ALA 27 14.421 7.208 -1.177 217 H LEU 28 H LEU 28 13.773 9.718 -2.253 218 HA LEU 28 HA LEU 28 15.860 9.255 -4.133 219 1HB LEU 28 2HB LEU 28 13.681 11.350 -4.356 220 2HB LEU 28 1HB LEU 28 14.540 10.563 -5.681 221 HG LEU 28 HG LEU 28 12.678 9.223 -3.698 222 1HD1 LEU 28 1HD1 LEU 28 12.482 9.710 -6.687 223 2HD1 LEU 28 2HD1 LEU 28 11.523 10.512 -5.443 224 3HD1 LEU 28 3HD1 LEU 28 11.326 8.783 -5.731 225 1HD2 LEU 28 1HD2 LEU 28 14.568 8.165 -5.790 226 2HD2 LEU 28 2HD2 LEU 28 13.084 7.286 -5.417 227 3HD2 LEU 28 3HD2 LEU 28 14.282 7.572 -4.154 228 H LEU 29 H LEU 29 14.858 12.290 -2.525 229 HA LEU 29 HA LEU 29 16.876 13.936 -3.680 230 1HB LEU 29 2HB LEU 29 15.007 14.098 -1.409 231 2HB LEU 29 1HB LEU 29 16.490 15.027 -1.186 232 HG LEU 29 HG LEU 29 14.739 16.382 -2.289 233 1HD1 LEU 29 1HD1 LEU 29 17.400 16.062 -3.075 234 2HD1 LEU 29 2HD1 LEU 29 16.354 17.426 -3.466 235 3HD1 LEU 29 3HD1 LEU 29 16.500 16.077 -4.591 236 1HD2 LEU 29 1HD2 LEU 29 13.724 14.316 -3.433 237 2HD2 LEU 29 2HD2 LEU 29 14.994 14.495 -4.643 238 3HD2 LEU 29 3HD2 LEU 29 13.815 15.785 -4.404 239 H GLU 30 H GLU 30 16.898 11.869 -0.796 240 HA GLU 30 HA GLU 30 19.414 12.709 0.247 241 1HB GLU 30 2HB GLU 30 17.964 11.294 1.578 242 2HB GLU 30 1HB GLU 30 18.027 10.014 0.365 243 1HG GLU 30 2HG GLU 30 19.558 9.592 2.296 244 2HG GLU 30 1HG GLU 30 20.412 9.701 0.756 245 H ASP 31 H ASP 31 18.572 10.507 -2.371 246 HA ASP 31 HA ASP 31 21.274 9.453 -2.651 247 1HB ASP 31 2HB ASP 31 19.088 8.337 -3.428 248 2HB ASP 31 1HB ASP 31 19.145 9.451 -4.794 249 H GLY 32 H GLY 32 19.373 12.033 -4.170 250 1HA GLY 32 2HA GLY 32 20.854 14.026 -4.784 251 2HA GLY 32 1HA GLY 32 21.844 12.849 -5.648 252 H SER 33 H SER 33 18.462 12.256 -5.711 253 HA SER 33 HA SER 33 18.042 12.029 -8.382 254 1HB SER 33 2HB SER 33 16.360 12.298 -6.236 255 2HB SER 33 1HB SER 33 15.970 13.743 -7.165 256 HG SER 33 HG SER 33 15.618 11.051 -7.774 257 H ASP 34 H ASP 34 17.337 13.487 -10.109 258 HA ASP 34 HA ASP 34 18.258 16.306 -9.705 259 1HB ASP 34 2HB ASP 34 19.051 14.290 -11.709 260 2HB ASP 34 1HB ASP 34 18.640 15.868 -12.383 261 HA PRO 35 HA PRO 35 13.771 16.365 -10.834 262 1HB PRO 35 2HB PRO 35 14.235 19.143 -9.858 263 2HB PRO 35 1HB PRO 35 12.935 18.005 -9.453 264 1HG PRO 35 2HG PRO 35 14.930 18.537 -7.755 265 2HG PRO 35 1HG PRO 35 14.182 16.935 -7.861 266 1HD PRO 35 2HD PRO 35 16.851 17.834 -8.844 267 2HD PRO 35 1HD PRO 35 16.333 16.228 -8.286 268 H ASP 36 H ASP 36 16.444 18.490 -11.687 269 HA ASP 36 HA ASP 36 15.074 20.048 -13.671 270 1HB ASP 36 2HB ASP 36 17.388 20.480 -12.638 271 2HB ASP 36 1HB ASP 36 17.998 19.291 -13.788 272 H ALA 37 H ALA 37 16.276 16.792 -13.655 273 HA ALA 37 HA ALA 37 16.262 16.595 -16.598 274 1HB ALA 37 1HB ALA 37 16.618 14.075 -15.933 275 2HB ALA 37 2HB ALA 37 16.945 14.742 -14.333 276 3HB ALA 37 3HB ALA 37 17.935 15.226 -15.710 277 H LEU 38 H LEU 38 13.798 17.078 -14.762 278 HA LEU 38 HA LEU 38 11.544 16.423 -14.766 279 1HB LEU 38 2HB LEU 38 12.611 15.899 -17.440 280 2HB LEU 38 1HB LEU 38 11.253 14.848 -17.039 281 HG LEU 38 HG LEU 38 11.058 17.778 -16.425 282 1HD1 LEU 38 1HD1 LEU 38 10.578 16.501 -19.136 283 2HD1 LEU 38 2HD1 LEU 38 11.818 17.697 -18.759 284 3HD1 LEU 38 3HD1 LEU 38 10.113 18.143 -18.692 285 1HD2 LEU 38 1HD2 LEU 38 9.345 16.084 -15.688 286 2HD2 LEU 38 2HD2 LEU 38 9.025 15.742 -17.389 287 3HD2 LEU 38 3HD2 LEU 38 8.688 17.344 -16.733 288 H TYR 39 H TYR 39 10.207 14.613 -14.220 289 HA TYR 39 HA TYR 39 11.662 12.012 -13.964 290 1HB TYR 39 2HB TYR 39 10.662 13.713 -11.866 291 2HB TYR 39 1HB TYR 39 9.744 12.208 -11.872 292 HD1 TYR 39 HD1 TYR 39 13.163 13.649 -11.708 293 HD2 TYR 39 HD2 TYR 39 10.747 10.131 -11.226 294 HE1 TYR 39 HE1 TYR 39 15.080 12.477 -10.659 295 HE2 TYR 39 HE2 TYR 39 12.663 8.958 -10.175 296 HH TYR 39 HH TYR 39 14.950 10.029 -8.812 297 H GLU 40 H GLU 40 10.275 10.133 -14.083 298 HA GLU 40 HA GLU 40 7.676 10.724 -15.430 299 1HB GLU 40 2HB GLU 40 7.887 8.404 -16.342 300 2HB GLU 40 1HB GLU 40 9.218 9.455 -16.828 301 1HG GLU 40 2HG GLU 40 9.642 8.014 -14.283 302 2HG GLU 40 1HG GLU 40 9.560 6.986 -15.715 303 H ILE 41 H ILE 41 5.796 9.633 -14.730 304 HA ILE 41 HA ILE 41 6.081 8.155 -12.143 305 HB ILE 41 HB ILE 41 3.544 9.601 -12.776 306 1HG1 ILE 41 2HG1 ILE 41 5.396 11.219 -13.320 307 2HG1 ILE 41 1HG1 ILE 41 4.403 11.719 -11.952 308 1HG2 ILE 41 1HG2 ILE 41 3.715 8.266 -10.746 309 2HG2 ILE 41 2HG2 ILE 41 3.654 9.972 -10.304 310 3HG2 ILE 41 3HG2 ILE 41 5.191 9.109 -10.279 311 1HD1 ILE 41 1HD1 ILE 41 6.832 10.063 -11.396 312 2HD1 ILE 41 2HD1 ILE 41 6.074 11.307 -10.405 313 3HD1 ILE 41 3HD1 ILE 41 7.055 11.764 -11.796 314 H GLU 42 H GLU 42 4.761 6.309 -11.909 315 HA GLU 42 HA GLU 42 3.274 5.505 -14.378 316 1HB GLU 42 2HB GLU 42 3.824 3.114 -13.409 317 2HB GLU 42 1HB GLU 42 5.042 3.985 -14.342 318 1HG GLU 42 2HG GLU 42 6.022 4.848 -12.237 319 2HG GLU 42 1HG GLU 42 4.827 3.932 -11.317 320 H HIS 43 H HIS 43 1.133 5.647 -13.905 321 HA HIS 43 HA HIS 43 0.231 4.989 -11.147 322 1HB HIS 43 2HB HIS 43 -1.443 6.142 -13.388 323 2HB HIS 43 1HB HIS 43 -1.779 6.179 -11.657 324 HD2 HIS 43 HD2 HIS 43 0.252 8.192 -14.303 325 HE1 HIS 43 HE1 HIS 43 1.025 9.930 -10.533 326 HE2 HIS 43 HE2 HIS 43 1.331 10.200 -13.036 327 H HIS 44 H HIS 44 -1.212 3.294 -10.774 328 HA HIS 44 HA HIS 44 -1.856 1.584 -13.145 329 1HB HIS 44 2HB HIS 44 -1.625 0.399 -10.406 330 2HB HIS 44 1HB HIS 44 -1.287 -0.333 -11.975 331 HD2 HIS 44 HD2 HIS 44 0.949 1.859 -13.062 332 HE1 HIS 44 HE1 HIS 44 3.026 0.926 -9.504 333 HE2 HIS 44 HE2 HIS 44 3.237 1.957 -11.812 334 H LEU 45 H LEU 45 -4.016 1.357 -13.459 335 HA LEU 45 HA LEU 45 -5.807 1.588 -11.077 336 1HB LEU 45 2HB LEU 45 -6.462 2.705 -13.816 337 2HB LEU 45 1HB LEU 45 -7.359 2.942 -12.315 338 HG LEU 45 HG LEU 45 -4.941 3.856 -11.534 339 1HD1 LEU 45 1HD1 LEU 45 -3.831 3.555 -13.652 340 2HD1 LEU 45 2HD1 LEU 45 -4.100 5.286 -13.445 341 3HD1 LEU 45 3HD1 LEU 45 -5.146 4.352 -14.515 342 1HD2 LEU 45 1HD2 LEU 45 -5.851 6.073 -11.801 343 2HD2 LEU 45 2HD2 LEU 45 -7.209 4.992 -11.495 344 3HD2 LEU 45 3HD2 LEU 45 -6.880 5.549 -13.135 345 H PHE 46 H PHE 46 -7.683 0.261 -11.173 346 HA PHE 46 HA PHE 46 -7.832 -1.589 -13.509 347 1HB PHE 46 2HB PHE 46 -8.620 -3.048 -11.216 348 2HB PHE 46 1HB PHE 46 -7.179 -3.303 -12.202 349 HD1 PHE 46 HD1 PHE 46 -8.401 -2.350 -8.984 350 HD2 PHE 46 HD2 PHE 46 -5.135 -1.768 -11.713 351 HE1 PHE 46 HE1 PHE 46 -6.976 -1.565 -7.112 352 HE2 PHE 46 HE2 PHE 46 -3.710 -0.984 -9.841 353 HZ PHE 46 HZ PHE 46 -4.631 -0.883 -7.541 354 H ALA 47 H ALA 47 -9.958 -2.534 -13.822 355 HA ALA 47 HA ALA 47 -12.138 -1.105 -12.354 356 1HB ALA 47 1HB ALA 47 -13.164 -0.430 -14.301 357 2HB ALA 47 2HB ALA 47 -12.563 -1.812 -15.218 358 3HB ALA 47 3HB ALA 47 -11.499 -0.445 -14.884 359 H GLU 48 H GLU 48 -14.337 -2.298 -13.074 360 HA GLU 48 HA GLU 48 -13.800 -5.232 -12.819 361 1HB GLU 48 2HB GLU 48 -16.310 -3.837 -11.874 362 2HB GLU 48 1HB GLU 48 -15.717 -5.438 -11.428 363 1HG GLU 48 2HG GLU 48 -13.915 -4.517 -10.150 364 2HG GLU 48 1HG GLU 48 -14.188 -2.902 -10.804 365 H ASP 49 H ASP 49 -15.405 -2.728 -14.583 366 HA ASP 49 HA ASP 49 -16.664 -4.820 -16.310 367 1HB ASP 49 2HB ASP 49 -18.091 -3.029 -14.811 368 2HB ASP 49 1HB ASP 49 -17.913 -2.141 -16.325 369 H PHE 50 H PHE 50 -15.417 -4.827 -18.125 370 HA PHE 50 HA PHE 50 -13.623 -2.971 -19.065 371 1HB PHE 50 2HB PHE 50 -13.746 -4.960 -20.314 372 2HB PHE 50 1HB PHE 50 -15.487 -4.810 -20.553 373 HD1 PHE 50 HD1 PHE 50 -12.191 -3.368 -21.496 374 HD2 PHE 50 HD2 PHE 50 -16.388 -3.574 -22.385 375 HE1 PHE 50 HE1 PHE 50 -11.795 -2.183 -23.638 376 HE2 PHE 50 HE2 PHE 50 -15.992 -2.389 -24.528 377 HZ PHE 50 HZ PHE 50 -13.696 -1.693 -25.153 378 H ASP 51 H ASP 51 -17.035 -2.543 -18.873 379 HA ASP 51 HA ASP 51 -17.374 -0.601 -20.959 380 1HB ASP 51 2HB ASP 51 -19.147 -1.857 -19.484 381 2HB ASP 51 1HB ASP 51 -18.940 -0.484 -18.397 382 H LYS 52 H LYS 52 -17.622 0.224 -17.500 383 HA LYS 52 HA LYS 52 -16.943 2.937 -17.804 384 1HB LYS 52 2HB LYS 52 -16.544 2.976 -15.425 385 2HB LYS 52 1HB LYS 52 -17.858 1.835 -15.718 386 1HG LYS 52 2HG LYS 52 -16.206 -0.029 -15.687 387 2HG LYS 52 1HG LYS 52 -14.938 1.133 -15.292 388 1HD LYS 52 2HD LYS 52 -15.906 1.641 -13.185 389 2HD LYS 52 1HD LYS 52 -17.439 0.882 -13.618 390 1HE LYS 52 2HE LYS 52 -15.964 -1.278 -13.896 391 2HE LYS 52 1HE LYS 52 -14.837 -0.409 -12.854 392 1HZ LYS 52 1HZ LYS 52 -16.498 -1.851 -11.687 393 2HZ LYS 52 2HZ LYS 52 -17.703 -0.764 -12.192 394 3HZ LYS 52 3HZ LYS 52 -16.455 -0.237 -11.166 395 H LEU 53 H LEU 53 -14.857 0.113 -17.529 396 HA LEU 53 HA LEU 53 -12.390 1.307 -16.940 397 1HB LEU 53 2HB LEU 53 -12.904 -1.173 -17.321 398 2HB LEU 53 1HB LEU 53 -12.720 -0.841 -19.044 399 HG LEU 53 HG LEU 53 -10.605 -0.118 -17.005 400 1HD1 LEU 53 1HD1 LEU 53 -11.262 -2.656 -17.313 401 2HD1 LEU 53 2HD1 LEU 53 -9.564 -2.179 -17.301 402 3HD1 LEU 53 3HD1 LEU 53 -10.383 -2.487 -18.833 403 1HD2 LEU 53 1HD2 LEU 53 -9.372 -0.541 -19.402 404 2HD2 LEU 53 2HD2 LEU 53 -9.944 1.038 -18.864 405 3HD2 LEU 53 3HD2 LEU 53 -10.937 0.061 -19.946 406 H GLU 54 H GLU 54 -13.719 0.743 -20.225 407 HA GLU 54 HA GLU 54 -11.682 2.241 -21.564 408 1HB GLU 54 2HB GLU 54 -13.460 0.591 -22.525 409 2HB GLU 54 1HB GLU 54 -14.496 2.016 -22.611 410 1HG GLU 54 2HG GLU 54 -13.049 3.123 -24.119 411 2HG GLU 54 1HG GLU 54 -11.705 2.040 -23.756 412 H LYS 55 H LYS 55 -15.034 3.167 -20.709 413 HA LYS 55 HA LYS 55 -15.086 5.786 -21.598 414 1HB LYS 55 2HB LYS 55 -16.092 4.802 -18.910 415 2HB LYS 55 1HB LYS 55 -16.612 6.280 -19.719 416 1HG LYS 55 2HG LYS 55 -17.154 4.679 -21.723 417 2HG LYS 55 1HG LYS 55 -17.139 3.422 -20.486 418 1HD LYS 55 2HD LYS 55 -19.346 4.025 -20.293 419 2HD LYS 55 1HD LYS 55 -18.663 5.247 -19.219 420 1HE LYS 55 2HE LYS 55 -19.815 6.676 -20.588 421 2HE LYS 55 1HE LYS 55 -18.375 6.514 -21.593 422 1HZ LYS 55 1HZ LYS 55 -19.597 4.492 -22.556 423 2HZ LYS 55 2HZ LYS 55 -20.092 6.041 -23.044 424 3HZ LYS 55 3HZ LYS 55 -20.992 5.185 -21.884 425 H ALA 56 H ALA 56 -13.702 4.680 -18.490 426 HA ALA 56 HA ALA 56 -12.755 7.320 -17.769 427 1HB ALA 56 1HB ALA 56 -13.187 5.308 -16.213 428 2HB ALA 56 2HB ALA 56 -11.741 6.267 -15.902 429 3HB ALA 56 3HB ALA 56 -11.611 4.721 -16.741 430 H ALA 57 H ALA 57 -10.917 4.376 -18.686 431 HA ALA 57 HA ALA 57 -8.382 5.324 -18.963 432 1HB ALA 57 1HB ALA 57 -8.349 3.226 -19.831 433 2HB ALA 57 2HB ALA 57 -8.616 4.025 -21.379 434 3HB ALA 57 3HB ALA 57 -9.983 3.372 -20.476 435 H VAL 58 H VAL 58 -10.872 5.768 -21.503 436 HA VAL 58 HA VAL 58 -9.295 7.409 -23.202 437 HB VAL 58 HB VAL 58 -12.284 7.676 -22.798 438 1HG1 VAL 58 1HG1 VAL 58 -11.387 9.355 -24.271 439 2HG1 VAL 58 2HG1 VAL 58 -12.140 8.127 -25.288 440 3HG1 VAL 58 3HG1 VAL 58 -10.386 8.167 -25.106 441 1HG2 VAL 58 1HG2 VAL 58 -12.624 5.640 -23.733 442 2HG2 VAL 58 2HG2 VAL 58 -10.938 5.306 -23.336 443 3HG2 VAL 58 3HG2 VAL 58 -11.365 5.900 -24.940 444 H GLU 59 H GLU 59 -11.709 8.412 -20.747 445 HA GLU 59 HA GLU 59 -11.370 11.180 -20.913 446 1HB GLU 59 2HB GLU 59 -12.760 9.548 -19.248 447 2HB GLU 59 1HB GLU 59 -11.487 10.091 -18.155 448 1HG GLU 59 2HG GLU 59 -13.139 11.981 -19.849 449 2HG GLU 59 1HG GLU 59 -13.548 11.564 -18.184 450 H ALA 60 H ALA 60 -9.355 8.831 -19.155 451 HA ALA 60 HA ALA 60 -7.600 10.818 -18.011 452 1HB ALA 60 1HB ALA 60 -7.753 7.898 -18.150 453 2HB ALA 60 2HB ALA 60 -7.107 8.926 -16.870 454 3HB ALA 60 3HB ALA 60 -6.095 8.492 -18.248 455 H PHE 61 H PHE 61 -7.606 8.973 -21.029 456 HA PHE 61 HA PHE 61 -4.966 9.637 -21.888 457 1HB PHE 61 2HB PHE 61 -6.596 7.945 -22.927 458 2HB PHE 61 1HB PHE 61 -7.339 9.324 -23.736 459 HD1 PHE 61 HD1 PHE 61 -3.854 8.106 -23.025 460 HD2 PHE 61 HD2 PHE 61 -6.607 9.708 -25.907 461 HE1 PHE 61 HE1 PHE 61 -2.076 8.051 -24.753 462 HE2 PHE 61 HE2 PHE 61 -4.829 9.653 -27.635 463 HZ PHE 61 HZ PHE 61 -2.564 8.825 -27.058 464 H LYS 62 H LYS 62 -8.093 11.214 -22.656 465 HA LYS 62 HA LYS 62 -7.046 13.357 -24.173 466 1HB LYS 62 2HB LYS 62 -9.445 12.967 -24.053 467 2HB LYS 62 1HB LYS 62 -9.445 13.291 -22.318 468 1HG LYS 62 2HG LYS 62 -8.664 15.605 -22.768 469 2HG LYS 62 1HG LYS 62 -8.740 15.277 -24.500 470 1HD LYS 62 2HD LYS 62 -11.184 14.681 -22.902 471 2HD LYS 62 1HD LYS 62 -10.795 16.381 -23.168 472 1HE LYS 62 2HE LYS 62 -11.049 14.279 -25.341 473 2HE LYS 62 1HE LYS 62 -12.257 15.507 -24.961 474 1HZ LYS 62 1HZ LYS 62 -9.796 16.785 -25.271 475 2HZ LYS 62 2HZ LYS 62 -11.173 16.912 -26.257 476 3HZ LYS 62 3HZ LYS 62 -9.990 15.741 -26.594 477 H MET 63 H MET 63 -7.396 12.997 -20.658 478 HA MET 63 HA MET 63 -6.759 15.603 -19.831 479 1HB MET 63 2HB MET 63 -7.278 13.418 -18.453 480 2HB MET 63 1HB MET 63 -5.521 13.256 -18.425 481 1HG MET 63 2HG MET 63 -5.363 15.585 -17.532 482 2HG MET 63 1HG MET 63 -7.124 15.639 -17.455 483 1HE MET 63 1HE MET 63 -8.490 13.936 -16.522 484 2HE MET 63 2HE MET 63 -8.228 13.177 -14.954 485 3HE MET 63 3HE MET 63 -7.681 12.366 -16.419 486 H GLY 64 H GLY 64 -4.421 12.920 -20.280 487 1HA GLY 64 2HA GLY 64 -2.493 13.964 -21.835 488 2HA GLY 64 1HA GLY 64 -2.222 14.892 -20.359 489 H PHE 65 H PHE 65 -3.334 11.553 -20.352 490 HA PHE 65 HA PHE 65 -0.689 10.779 -19.183 491 1HB PHE 65 2HB PHE 65 -3.500 9.882 -18.518 492 2HB PHE 65 1HB PHE 65 -2.082 8.956 -18.028 493 HD1 PHE 65 HD1 PHE 65 -3.158 12.559 -18.078 494 HD2 PHE 65 HD2 PHE 65 -1.294 9.371 -15.884 495 HE1 PHE 65 HE1 PHE 65 -2.827 14.081 -16.148 496 HE2 PHE 65 HE2 PHE 65 -0.964 10.892 -13.954 497 HZ PHE 65 HZ PHE 65 -1.731 13.247 -14.086 498 H GLU 66 H GLU 66 0.313 8.983 -20.066 499 HA GLU 66 HA GLU 66 -0.794 7.945 -22.575 500 1HB GLU 66 2HB GLU 66 1.766 8.350 -21.660 501 2HB GLU 66 1HB GLU 66 1.582 6.608 -21.459 502 1HG GLU 66 2HG GLU 66 1.163 8.200 -24.003 503 2HG GLU 66 1HG GLU 66 2.427 7.011 -23.691 504 H VAL 67 H VAL 67 -2.689 6.858 -21.691 505 HA VAL 67 HA VAL 67 -2.675 4.897 -19.664 506 HB VAL 67 HB VAL 67 -4.727 5.791 -20.765 507 1HG1 VAL 67 1HG1 VAL 67 -4.914 3.955 -22.943 508 2HG1 VAL 67 2HG1 VAL 67 -3.382 4.815 -23.100 509 3HG1 VAL 67 3HG1 VAL 67 -4.895 5.718 -23.008 510 1HG2 VAL 67 1HG2 VAL 67 -4.584 3.552 -19.495 511 2HG2 VAL 67 2HG2 VAL 67 -4.625 2.786 -21.083 512 3HG2 VAL 67 3HG2 VAL 67 -5.980 3.781 -20.548 513 H LEU 68 H LEU 68 -2.854 2.483 -20.004 514 HA LEU 68 HA LEU 68 -1.353 1.488 -22.361 515 1HB LEU 68 2HB LEU 68 -0.163 1.842 -19.804 516 2HB LEU 68 1HB LEU 68 -0.396 0.107 -20.026 517 HG LEU 68 HG LEU 68 0.832 1.866 -22.157 518 1HD1 LEU 68 1HD1 LEU 68 3.022 0.990 -21.367 519 2HD1 LEU 68 2HD1 LEU 68 2.206 0.246 -19.991 520 3HD1 LEU 68 3HD1 LEU 68 2.238 2.002 -20.153 521 1HD2 LEU 68 1HD2 LEU 68 1.833 -0.549 -22.609 522 2HD2 LEU 68 2HD2 LEU 68 0.220 -0.128 -23.183 523 3HD2 LEU 68 3HD2 LEU 68 0.411 -1.069 -21.703 524 H GLU 69 H GLU 69 -2.205 -0.421 -23.064 525 HA GLU 69 HA GLU 69 -4.622 -1.471 -22.330 526 1HB GLU 69 2HB GLU 69 -3.528 -3.788 -22.992 527 2HB GLU 69 1HB GLU 69 -3.727 -2.521 -24.202 528 1HG GLU 69 2HG GLU 69 -1.402 -1.751 -23.724 529 2HG GLU 69 1HG GLU 69 -1.211 -3.111 -22.616 530 H ALA 70 H ALA 70 -5.151 -3.522 -21.119 531 HA ALA 70 HA ALA 70 -3.528 -3.677 -18.610 532 1HB ALA 70 1HB ALA 70 -6.508 -3.969 -19.061 533 2HB ALA 70 2HB ALA 70 -5.685 -2.756 -18.082 534 3HB ALA 70 3HB ALA 70 -5.713 -4.441 -17.560 535 H GLU 71 H GLU 71 -3.491 -5.833 -17.587 536 HA GLU 71 HA GLU 71 -3.839 -8.020 -19.602 537 1HB GLU 71 2HB GLU 71 -2.005 -9.157 -18.173 538 2HB GLU 71 1HB GLU 71 -1.507 -7.843 -19.239 539 1HG GLU 71 2HG GLU 71 -2.310 -7.292 -16.386 540 2HG GLU 71 1HG GLU 71 -0.667 -7.798 -16.782 541 H GLU 72 H GLU 72 -4.727 -9.989 -18.832 542 HA GLU 72 HA GLU 72 -6.622 -9.772 -16.695 543 1HB GLU 72 2HB GLU 72 -5.490 -12.264 -18.005 544 2HB GLU 72 1HB GLU 72 -6.954 -12.195 -17.024 545 1HG GLU 72 2HG GLU 72 -7.518 -10.237 -18.796 546 2HG GLU 72 1HG GLU 72 -6.496 -11.258 -19.807 547 H THR 73 H THR 73 -6.072 -9.655 -14.574 548 HA THR 73 HA THR 73 -3.756 -11.305 -13.641 549 HB THR 73 HB THR 73 -3.281 -8.921 -13.405 550 HG1 THR 73 HG1 THR 73 -2.919 -10.532 -11.626 551 1HG2 THR 73 1HG2 THR 73 -5.341 -7.823 -13.402 552 2HG2 THR 73 2HG2 THR 73 -4.858 -7.693 -11.710 553 3HG2 THR 73 3HG2 THR 73 -6.033 -8.915 -12.201 554 H GLU 74 H GLU 74 -4.724 -10.380 -10.851 555 HA GLU 74 HA GLU 74 -7.316 -11.428 -10.355 556 1HB GLU 74 2HB GLU 74 -6.621 -13.650 -9.355 557 2HB GLU 74 1HB GLU 74 -6.524 -13.574 -11.115 558 1HG GLU 74 2HG GLU 74 -4.049 -12.772 -10.629 559 2HG GLU 74 1HG GLU 74 -4.309 -13.602 -9.094 560 H ASP 75 H ASP 75 -7.817 -10.701 -8.338 561 HA ASP 75 HA ASP 75 -5.870 -9.429 -6.672 562 1HB ASP 75 2HB ASP 75 -8.706 -9.738 -6.713 563 2HB ASP 75 1HB ASP 75 -8.145 -10.225 -5.114 564 H GLU 76 H GLU 76 -5.957 -10.202 -4.152 565 HA GLU 76 HA GLU 76 -4.511 -12.718 -4.130 566 1HB GLU 76 2HB GLU 76 -5.559 -11.095 -1.789 567 2HB GLU 76 1HB GLU 76 -4.315 -12.344 -1.722 568 1HG GLU 76 2HG GLU 76 -4.052 -9.884 -3.461 569 2HG GLU 76 1HG GLU 76 -3.467 -9.936 -1.797 570 H ASP 77 H ASP 77 -7.343 -12.807 -5.020 571 HA ASP 77 HA ASP 77 -8.195 -14.997 -3.213 572 1HB ASP 77 2HB ASP 77 -9.902 -12.599 -3.935 573 2HB ASP 77 1HB ASP 77 -10.556 -14.093 -3.264 574 H GLY 78 H GLY 78 -8.574 -13.247 -6.264 575 1HA GLY 78 2HA GLY 78 -8.512 -14.618 -8.336 576 2HA GLY 78 1HA GLY 78 -9.492 -15.816 -7.491 577 H ASN 79 H ASN 79 -9.638 -12.338 -8.337 578 HA ASN 79 HA ASN 79 -12.576 -12.690 -8.749 579 1HB ASN 79 2HB ASN 79 -10.863 -10.368 -7.923 580 2HB ASN 79 1HB ASN 79 -12.394 -10.058 -8.742 581 1HD2 ASN 79 1HD2 ASN 79 -10.969 -10.874 -5.705 582 2HD2 ASN 79 2HD2 ASN 79 -12.411 -11.187 -4.865 583 H LYS 80 H LYS 80 -9.633 -12.326 -10.386 584 HA LYS 80 HA LYS 80 -9.110 -11.863 -12.627 585 1HB LYS 80 2HB LYS 80 -12.038 -12.479 -13.106 586 2HB LYS 80 1HB LYS 80 -10.709 -12.643 -14.255 587 1HG LYS 80 2HG LYS 80 -9.671 -14.327 -12.688 588 2HG LYS 80 1HG LYS 80 -11.152 -14.261 -11.732 589 1HD LYS 80 2HD LYS 80 -12.356 -15.438 -13.271 590 2HD LYS 80 1HD LYS 80 -11.541 -14.675 -14.638 591 1HE LYS 80 2HE LYS 80 -9.803 -16.204 -14.636 592 2HE LYS 80 1HE LYS 80 -9.960 -16.537 -12.911 593 1HZ LYS 80 1HZ LYS 80 -11.975 -17.755 -13.335 594 2HZ LYS 80 2HZ LYS 80 -10.729 -18.383 -14.305 595 3HZ LYS 80 3HZ LYS 80 -11.913 -17.373 -14.986 596 H LEU 81 H LEU 81 -8.702 -9.659 -12.700 597 HA LEU 81 HA LEU 81 -10.961 -7.963 -13.627 598 1HB LEU 81 2HB LEU 81 -9.974 -6.108 -12.133 599 2HB LEU 81 1HB LEU 81 -10.920 -7.363 -11.331 600 HG LEU 81 HG LEU 81 -8.079 -8.050 -11.606 601 1HD1 LEU 81 1HD1 LEU 81 -7.222 -6.471 -10.006 602 2HD1 LEU 81 2HD1 LEU 81 -8.826 -5.797 -9.724 603 3HD1 LEU 81 3HD1 LEU 81 -8.018 -5.535 -11.270 604 1HD2 LEU 81 1HD2 LEU 81 -8.410 -8.909 -9.425 605 2HD2 LEU 81 2HD2 LEU 81 -9.978 -9.123 -10.203 606 3HD2 LEU 81 3HD2 LEU 81 -9.722 -7.782 -9.087 607 H LEU 82 H LEU 82 -10.239 -6.113 -14.867 608 HA LEU 82 HA LEU 82 -7.638 -6.605 -16.177 609 1HB LEU 82 2HB LEU 82 -9.715 -4.493 -16.816 610 2HB LEU 82 1HB LEU 82 -8.397 -5.034 -17.855 611 HG LEU 82 HG LEU 82 -9.879 -7.342 -17.055 612 1HD1 LEU 82 1HD1 LEU 82 -12.103 -6.866 -17.725 613 2HD1 LEU 82 2HD1 LEU 82 -11.648 -5.312 -18.423 614 3HD1 LEU 82 3HD1 LEU 82 -11.664 -5.521 -16.671 615 1HD2 LEU 82 1HD2 LEU 82 -9.521 -5.828 -19.654 616 2HD2 LEU 82 2HD2 LEU 82 -10.347 -7.383 -19.559 617 3HD2 LEU 82 3HD2 LEU 82 -8.645 -7.260 -19.115 618 H CYS 83 H CYS 83 -5.865 -5.280 -15.945 619 HA CYS 83 HA CYS 83 -6.220 -2.792 -14.328 620 1HB CYS 83 2HB CYS 83 -3.983 -3.287 -13.312 621 2HB CYS 83 1HB CYS 83 -5.216 -4.472 -12.884 622 HG CYS 83 HG CYS 83 -4.173 -5.964 -14.911 623 H PHE 84 H PHE 84 -5.862 -1.191 -15.817 624 HA PHE 84 HA PHE 84 -3.773 -1.595 -17.884 625 1HB PHE 84 2HB PHE 84 -4.649 0.689 -18.673 626 2HB PHE 84 1HB PHE 84 -5.766 -0.670 -18.795 627 HD1 PHE 84 HD1 PHE 84 -7.326 -1.082 -16.735 628 HD2 PHE 84 HD2 PHE 84 -5.297 2.621 -17.522 629 HE1 PHE 84 HE1 PHE 84 -8.939 0.111 -15.278 630 HE2 PHE 84 HE2 PHE 84 -6.910 3.814 -16.064 631 HZ PHE 84 HZ PHE 84 -8.731 2.559 -14.942 632 H ASP 85 H ASP 85 -2.257 0.300 -18.267 633 HA ASP 85 HA ASP 85 -1.495 1.541 -15.650 634 1HB ASP 85 2HB ASP 85 0.167 0.223 -17.776 635 2HB ASP 85 1HB ASP 85 0.874 1.509 -16.795 636 H ALA 86 H ALA 86 -0.451 3.650 -15.824 637 HA ALA 86 HA ALA 86 -0.763 5.029 -18.437 638 1HB ALA 86 1HB ALA 86 -2.689 5.974 -17.689 639 2HB ALA 86 2HB ALA 86 -1.638 6.948 -16.659 640 3HB ALA 86 3HB ALA 86 -2.383 5.481 -16.023 641 H THR 87 H THR 87 0.859 6.535 -18.775 642 HA THR 87 HA THR 87 2.769 6.924 -16.510 643 HB THR 87 HB THR 87 4.183 7.700 -18.686 644 HG1 THR 87 HG1 THR 87 2.055 6.780 -19.746 645 1HG2 THR 87 1HG2 THR 87 3.760 4.868 -17.694 646 2HG2 THR 87 2HG2 THR 87 4.919 6.038 -17.062 647 3HG2 THR 87 3HG2 THR 87 5.120 5.390 -18.689 648 H MET 88 H MET 88 3.770 9.069 -16.339 649 HA MET 88 HA MET 88 2.532 11.285 -17.821 650 1HB MET 88 2HB MET 88 1.003 10.657 -15.833 651 2HB MET 88 1HB MET 88 2.287 11.309 -14.812 652 1HG MET 88 2HG MET 88 0.873 13.163 -15.171 653 2HG MET 88 1HG MET 88 2.165 13.393 -16.350 654 1HE MET 88 1HE MET 88 -0.507 14.731 -16.247 655 2HE MET 88 2HE MET 88 -1.347 14.587 -17.791 656 3HE MET 88 3HE MET 88 0.343 15.087 -17.757 657 H GLN 89 H GLN 89 4.301 12.487 -18.307 658 HA GLN 89 HA GLN 89 6.716 12.370 -16.671 659 1HB GLN 89 2HB GLN 89 5.938 13.964 -19.124 660 2HB GLN 89 1HB GLN 89 7.501 14.149 -18.326 661 1HG GLN 89 2HG GLN 89 8.286 12.264 -19.275 662 2HG GLN 89 1HG GLN 89 6.884 11.343 -18.728 663 1HE2 GLN 89 1HE2 GLN 89 5.228 10.903 -20.260 664 2HE2 GLN 89 2HE2 GLN 89 5.277 11.438 -21.871 665 H SER 90 H SER 90 7.399 13.890 -15.185 666 HA SER 90 HA SER 90 6.337 16.577 -15.070 667 1HB SER 90 2HB SER 90 4.659 16.392 -13.558 668 2HB SER 90 1HB SER 90 4.656 14.678 -13.962 669 HG SER 90 HG SER 90 4.898 14.993 -11.724 670 H ALA 91 H ALA 91 7.358 17.810 -13.335 671 HA ALA 91 HA ALA 91 10.047 17.014 -12.791 672 1HB ALA 91 1HB ALA 91 10.007 19.263 -12.500 673 2HB ALA 91 2HB ALA 91 9.479 18.902 -10.857 674 3HB ALA 91 3HB ALA 91 8.289 19.266 -12.106 675 H LEU 92 H LEU 92 10.898 16.908 -10.434 676 HA LEU 92 HA LEU 92 9.309 14.842 -9.031 677 1HB LEU 92 2HB LEU 92 11.719 14.436 -9.440 678 2HB LEU 92 1HB LEU 92 12.111 15.870 -8.488 679 HG LEU 92 HG LEU 92 10.958 14.852 -6.531 680 1HD1 LEU 92 1HD1 LEU 92 9.439 13.258 -7.095 681 2HD1 LEU 92 2HD1 LEU 92 10.824 12.167 -7.092 682 3HD1 LEU 92 3HD1 LEU 92 10.265 12.876 -8.606 683 1HD2 LEU 92 1HD2 LEU 92 13.442 14.538 -7.059 684 2HD2 LEU 92 2HD2 LEU 92 13.012 12.937 -7.662 685 3HD2 LEU 92 3HD2 LEU 92 12.731 13.347 -5.970 686 H ASP 93 H ASP 93 7.677 16.102 -8.030 687 HA ASP 93 HA ASP 93 8.575 17.518 -5.610 688 1HB ASP 93 2HB ASP 93 7.222 18.866 -7.932 689 2HB ASP 93 1HB ASP 93 6.902 19.427 -6.291 690 H ALA 94 H ALA 94 7.225 16.902 -3.993 691 HA ALA 94 HA ALA 94 5.078 15.140 -4.269 692 1HB ALA 94 1HB ALA 94 4.306 16.470 -2.042 693 2HB ALA 94 2HB ALA 94 5.974 17.030 -2.162 694 3HB ALA 94 3HB ALA 94 5.628 15.304 -2.053 695 H LYS 95 H LYS 95 4.692 18.647 -3.615 696 HA LYS 95 HA LYS 95 2.013 19.012 -3.881 697 1HB LYS 95 2HB LYS 95 4.324 20.603 -4.909 698 2HB LYS 95 1HB LYS 95 2.705 21.075 -5.427 699 1HG LYS 95 2HG LYS 95 2.006 21.094 -3.016 700 2HG LYS 95 1HG LYS 95 3.690 20.805 -2.574 701 1HD LYS 95 2HD LYS 95 3.591 23.130 -2.464 702 2HD LYS 95 1HD LYS 95 4.146 22.889 -4.121 703 1HE LYS 95 2HE LYS 95 1.451 22.753 -4.476 704 2HE LYS 95 1HE LYS 95 1.543 23.890 -3.131 705 1HZ LYS 95 1HZ LYS 95 1.664 24.899 -5.403 706 2HZ LYS 95 2HZ LYS 95 3.181 24.156 -5.585 707 3HZ LYS 95 3HZ LYS 95 2.940 25.313 -4.365 708 H LEU 96 H LEU 96 4.199 18.605 -6.682 709 HA LEU 96 HA LEU 96 2.137 18.707 -8.663 710 1HB LEU 96 2HB LEU 96 4.943 17.658 -8.569 711 2HB LEU 96 1HB LEU 96 3.921 17.224 -9.940 712 HG LEU 96 HG LEU 96 3.535 19.546 -10.476 713 1HD1 LEU 96 1HD1 LEU 96 3.350 20.504 -8.271 714 2HD1 LEU 96 2HD1 LEU 96 4.680 21.326 -9.086 715 3HD1 LEU 96 3HD1 LEU 96 5.017 20.077 -7.887 716 1HD2 LEU 96 1HD2 LEU 96 6.306 18.553 -10.088 717 2HD2 LEU 96 2HD2 LEU 96 6.147 20.284 -10.386 718 3HD2 LEU 96 3HD2 LEU 96 5.512 19.127 -11.555 719 H ILE 97 H ILE 97 3.942 15.758 -7.724 720 HA ILE 97 HA ILE 97 2.267 13.839 -8.772 721 HB ILE 97 HB ILE 97 3.635 13.808 -6.067 722 1HG1 ILE 97 2HG1 ILE 97 4.504 12.282 -8.500 723 2HG1 ILE 97 1HG1 ILE 97 4.863 14.006 -8.407 724 1HG2 ILE 97 1HG2 ILE 97 1.860 12.134 -6.086 725 2HG2 ILE 97 2HG2 ILE 97 3.419 11.326 -6.256 726 3HG2 ILE 97 3HG2 ILE 97 2.385 11.554 -7.667 727 1HD1 ILE 97 1HD1 ILE 97 5.532 12.072 -6.178 728 2HD1 ILE 97 2HD1 ILE 97 6.101 13.729 -6.374 729 3HD1 ILE 97 3HD1 ILE 97 6.663 12.469 -7.471 730 H ASP 98 H ASP 98 1.558 16.008 -6.163 731 HA ASP 98 HA ASP 98 -0.673 14.490 -5.080 732 1HB ASP 98 2HB ASP 98 0.738 16.894 -4.433 733 2HB ASP 98 1HB ASP 98 -0.976 17.287 -4.564 734 H GLU 99 H GLU 99 -0.371 17.277 -7.291 735 HA GLU 99 HA GLU 99 -3.190 17.584 -7.732 736 1HB GLU 99 2HB GLU 99 -0.688 18.505 -9.069 737 2HB GLU 99 1HB GLU 99 -2.168 18.547 -10.026 738 1HG GLU 99 2HG GLU 99 -2.452 19.593 -7.278 739 2HG GLU 99 1HG GLU 99 -1.392 20.539 -8.322 740 H GLN 100 H GLN 100 -0.673 15.805 -9.531 741 HA GLN 100 HA GLN 100 -2.356 14.854 -11.619 742 1HB GLN 100 2HB GLN 100 0.015 13.429 -10.373 743 2HB GLN 100 1HB GLN 100 -0.650 13.147 -11.982 744 1HG GLN 100 2HG GLN 100 -0.218 15.879 -11.973 745 2HG GLN 100 1HG GLN 100 1.160 15.263 -11.060 746 1HE2 GLN 100 1HE2 GLN 100 0.481 16.145 -14.104 747 2HE2 GLN 100 2HE2 GLN 100 1.378 15.000 -14.981 748 H VAL 101 H VAL 101 -1.264 13.020 -8.732 749 HA VAL 101 HA VAL 101 -3.033 10.844 -9.058 750 HB VAL 101 HB VAL 101 -2.004 12.066 -6.478 751 1HG1 VAL 101 1HG1 VAL 101 -3.309 9.413 -7.121 752 2HG1 VAL 101 2HG1 VAL 101 -3.826 10.610 -5.935 753 3HG1 VAL 101 3HG1 VAL 101 -2.355 9.676 -5.661 754 1HG2 VAL 101 1HG2 VAL 101 -0.863 9.562 -7.558 755 2HG2 VAL 101 2HG2 VAL 101 -0.046 10.952 -6.842 756 3HG2 VAL 101 3HG2 VAL 101 -0.543 10.996 -8.534 757 H GLU 102 H GLU 102 -3.524 13.862 -7.198 758 HA GLU 102 HA GLU 102 -6.069 13.340 -6.152 759 1HB GLU 102 2HB GLU 102 -4.698 15.425 -5.772 760 2HB GLU 102 1HB GLU 102 -5.222 15.988 -7.360 761 1HG GLU 102 2HG GLU 102 -7.388 15.049 -5.574 762 2HG GLU 102 1HG GLU 102 -6.569 16.523 -5.057 763 H LYS 103 H LYS 103 -5.161 14.243 -9.443 764 HA LYS 103 HA LYS 103 -7.858 14.666 -10.386 765 1HB LYS 103 2HB LYS 103 -5.176 14.634 -11.499 766 2HB LYS 103 1HB LYS 103 -6.303 13.787 -12.558 767 1HG LYS 103 2HG LYS 103 -6.173 16.230 -13.050 768 2HG LYS 103 1HG LYS 103 -7.795 15.715 -12.585 769 1HD LYS 103 2HD LYS 103 -7.763 16.928 -10.662 770 2HD LYS 103 1HD LYS 103 -6.082 16.514 -10.322 771 1HE LYS 103 2HE LYS 103 -6.607 18.335 -12.629 772 2HE LYS 103 1HE LYS 103 -6.804 18.998 -11.007 773 1HZ LYS 103 1HZ LYS 103 -4.617 18.899 -10.609 774 2HZ LYS 103 2HZ LYS 103 -4.464 18.833 -12.299 775 3HZ LYS 103 3HZ LYS 103 -4.424 17.403 -11.384 776 H LEU 104 H LEU 104 -5.596 11.925 -10.852 777 HA LEU 104 HA LEU 104 -7.427 10.157 -12.074 778 1HB LEU 104 2HB LEU 104 -5.133 9.527 -10.189 779 2HB LEU 104 1HB LEU 104 -5.946 8.343 -11.215 780 HG LEU 104 HG LEU 104 -4.524 10.828 -12.218 781 1HD1 LEU 104 1HD1 LEU 104 -3.689 7.943 -12.569 782 2HD1 LEU 104 2HD1 LEU 104 -3.096 8.938 -11.239 783 3HD1 LEU 104 3HD1 LEU 104 -2.747 9.396 -12.906 784 1HD2 LEU 104 1HD2 LEU 104 -6.222 8.721 -13.463 785 2HD2 LEU 104 2HD2 LEU 104 -4.789 9.216 -14.363 786 3HD2 LEU 104 3HD2 LEU 104 -6.011 10.410 -13.924 787 H VAL 105 H VAL 105 -7.199 11.210 -8.775 788 HA VAL 105 HA VAL 105 -8.673 8.991 -7.620 789 HB VAL 105 HB VAL 105 -7.862 11.734 -6.696 790 1HG1 VAL 105 1HG1 VAL 105 -9.871 9.883 -5.390 791 2HG1 VAL 105 2HG1 VAL 105 -10.093 11.579 -5.821 792 3HG1 VAL 105 3HG1 VAL 105 -9.005 11.138 -4.505 793 1HG2 VAL 105 1HG2 VAL 105 -6.205 10.013 -6.451 794 2HG2 VAL 105 2HG2 VAL 105 -7.389 8.880 -5.797 795 3HG2 VAL 105 3HG2 VAL 105 -6.889 10.280 -4.847 796 H ASN 106 H ASN 106 -9.573 12.368 -8.417 797 HA ASN 106 HA ASN 106 -12.352 12.045 -7.833 798 1HB ASN 106 2HB ASN 106 -10.724 13.993 -9.425 799 2HB ASN 106 1HB ASN 106 -12.478 14.010 -9.611 800 1HD2 ASN 106 1HD2 ASN 106 -9.841 14.706 -7.387 801 2HD2 ASN 106 2HD2 ASN 106 -10.803 15.395 -6.168 802 H LEU 107 H LEU 107 -10.492 11.595 -10.828 803 HA LEU 107 HA LEU 107 -12.758 11.091 -12.517 804 1HB LEU 107 2HB LEU 107 -10.505 11.616 -13.400 805 2HB LEU 107 1HB LEU 107 -9.911 10.076 -12.779 806 HG LEU 107 HG LEU 107 -11.835 9.023 -14.176 807 1HD1 LEU 107 1HD1 LEU 107 -12.335 11.736 -14.671 808 2HD1 LEU 107 2HD1 LEU 107 -13.051 10.365 -15.519 809 3HD1 LEU 107 3HD1 LEU 107 -11.599 11.138 -16.158 810 1HD2 LEU 107 1HD2 LEU 107 -9.337 8.951 -14.643 811 2HD2 LEU 107 2HD2 LEU 107 -9.574 10.344 -15.699 812 3HD2 LEU 107 3HD2 LEU 107 -10.365 8.812 -16.069 813 H ALA 108 H ALA 108 -10.451 8.795 -11.015 814 HA ALA 108 HA ALA 108 -11.598 6.388 -11.739 815 1HB ALA 108 1HB ALA 108 -9.777 5.984 -10.406 816 2HB ALA 108 2HB ALA 108 -11.014 5.809 -9.162 817 3HB ALA 108 3HB ALA 108 -10.141 7.332 -9.327 818 H GLU 109 H GLU 109 -12.541 8.248 -8.821 819 HA GLU 109 HA GLU 109 -14.801 6.567 -8.240 820 1HB GLU 109 2HB GLU 109 -14.331 9.455 -7.440 821 2HB GLU 109 1HB GLU 109 -15.456 8.333 -6.674 822 1HG GLU 109 2HG GLU 109 -12.435 8.124 -6.752 823 2HG GLU 109 1HG GLU 109 -13.453 8.366 -5.331 824 H LYS 110 H LYS 110 -14.351 9.355 -10.321 825 HA LYS 110 HA LYS 110 -17.053 10.158 -10.636 826 1HB LYS 110 2HB LYS 110 -14.970 11.293 -11.581 827 2HB LYS 110 1HB LYS 110 -15.015 10.091 -12.873 828 1HG LYS 110 2HG LYS 110 -17.535 10.839 -13.078 829 2HG LYS 110 1HG LYS 110 -16.957 12.300 -12.276 830 1HD LYS 110 2HD LYS 110 -15.329 12.697 -14.013 831 2HD LYS 110 1HD LYS 110 -15.670 11.135 -14.758 832 1HE LYS 110 2HE LYS 110 -18.171 12.333 -14.623 833 2HE LYS 110 1HE LYS 110 -17.100 13.674 -15.030 834 1HZ LYS 110 1HZ LYS 110 -17.916 11.455 -16.632 835 2HZ LYS 110 2HZ LYS 110 -16.225 11.609 -16.584 836 3HZ LYS 110 3HZ LYS 110 -17.185 12.911 -17.100 837 H PHE 111 H PHE 111 -15.271 7.454 -12.033 838 HA PHE 111 HA PHE 111 -17.673 6.716 -13.631 839 1HB PHE 111 2HB PHE 111 -14.764 6.015 -13.758 840 2HB PHE 111 1HB PHE 111 -15.937 4.860 -14.390 841 HD1 PHE 111 HD1 PHE 111 -17.697 5.732 -16.060 842 HD2 PHE 111 HD2 PHE 111 -14.129 7.894 -15.036 843 HE1 PHE 111 HE1 PHE 111 -17.927 7.089 -18.123 844 HE2 PHE 111 HE2 PHE 111 -14.360 9.251 -17.100 845 HZ PHE 111 HZ PHE 111 -16.260 8.848 -18.643 846 H ASP 112 H ASP 112 -15.241 4.689 -11.971 847 HA ASP 112 HA ASP 112 -16.750 3.729 -9.841 848 1HB ASP 112 2HB ASP 112 -17.742 2.760 -12.433 849 2HB ASP 112 1HB ASP 112 -17.385 1.467 -11.287 850 H ILE 113 H ILE 113 -13.998 4.017 -10.849 851 HA ILE 113 HA ILE 113 -13.070 1.193 -10.495 852 HB ILE 113 HB ILE 113 -10.997 1.916 -11.677 853 1HG1 ILE 113 2HG1 ILE 113 -12.571 4.465 -12.169 854 2HG1 ILE 113 1HG1 ILE 113 -11.192 4.330 -11.079 855 1HG2 ILE 113 1HG2 ILE 113 -12.969 2.750 -13.662 856 2HG2 ILE 113 2HG2 ILE 113 -13.508 1.341 -12.749 857 3HG2 ILE 113 3HG2 ILE 113 -11.973 1.296 -13.617 858 1HD1 ILE 113 1HD1 ILE 113 -10.471 3.202 -13.619 859 2HD1 ILE 113 2HD1 ILE 113 -9.773 4.601 -12.803 860 3HD1 ILE 113 3HD1 ILE 113 -11.152 4.807 -13.883 861 H ILE 114 H ILE 114 -10.885 1.077 -9.364 862 HA ILE 114 HA ILE 114 -10.790 3.151 -7.211 863 HB ILE 114 HB ILE 114 -11.246 1.151 -6.092 864 1HG1 ILE 114 2HG1 ILE 114 -8.222 1.042 -6.302 865 2HG1 ILE 114 1HG1 ILE 114 -9.082 2.243 -5.338 866 1HG2 ILE 114 1HG2 ILE 114 -11.257 -0.592 -7.582 867 2HG2 ILE 114 2HG2 ILE 114 -9.675 -0.910 -6.871 868 3HG2 ILE 114 3HG2 ILE 114 -9.795 -0.036 -8.398 869 1HD1 ILE 114 1HD1 ILE 114 -8.486 -0.520 -4.702 870 2HD1 ILE 114 2HD1 ILE 114 -10.225 -0.228 -4.635 871 3HD1 ILE 114 3HD1 ILE 114 -9.128 0.748 -3.656 872 H TYR 115 H TYR 115 -8.867 4.212 -6.865 873 HA TYR 115 HA TYR 115 -6.619 3.521 -8.698 874 1HB TYR 115 2HB TYR 115 -6.918 5.764 -9.095 875 2HB TYR 115 1HB TYR 115 -7.661 6.047 -7.521 876 HD1 TYR 115 HD1 TYR 115 -6.397 6.912 -5.720 877 HD2 TYR 115 HD2 TYR 115 -4.386 5.363 -9.186 878 HE1 TYR 115 HE1 TYR 115 -4.238 7.769 -4.850 879 HE2 TYR 115 HE2 TYR 115 -2.227 6.219 -8.316 880 HH TYR 115 HH TYR 115 -1.223 7.390 -6.718 881 H ASP 116 H ASP 116 -5.226 2.149 -7.658 882 HA ASP 116 HA ASP 116 -4.117 3.031 -5.064 883 1HB ASP 116 2HB ASP 116 -5.747 1.635 -4.136 884 2HB ASP 116 1HB ASP 116 -5.684 0.501 -5.486 885 H GLY 117 H GLY 117 -2.236 3.354 -6.496 886 1HA GLY 117 2HA GLY 117 -0.235 1.471 -6.343 887 2HA GLY 117 1HA GLY 117 -1.072 1.030 -7.831 888 H TRP 118 H TRP 118 0.837 3.541 -6.262 889 HA TRP 118 HA TRP 118 1.369 4.673 -8.977 890 1HB TRP 118 2HB TRP 118 1.020 6.832 -8.279 891 2HB TRP 118 1HB TRP 118 -0.053 6.040 -7.129 892 HD1 TRP 118 HD1 TRP 118 0.849 5.703 -4.626 893 HE1 TRP 118 HE1 TRP 118 2.654 6.967 -3.287 894 HE3 TRP 118 HE3 TRP 118 3.277 8.080 -8.441 895 HZ2 TRP 118 HZ2 TRP 118 4.840 8.748 -3.770 896 HZ3 TRP 118 HZ3 TRP 118 5.215 9.552 -7.972 897 HH2 TRP 118 HH2 TRP 118 5.998 9.889 -5.644 898 H GLY 119 H GLY 119 3.544 5.007 -9.426 899 1HA GLY 119 2HA GLY 119 5.506 5.014 -7.227 900 2HA GLY 119 1HA GLY 119 5.599 3.630 -8.317 901 H THR 120 H THR 120 7.751 5.378 -8.122 902 HA THR 120 HA THR 120 7.608 6.833 -10.733 903 HB THR 120 HB THR 120 7.864 8.385 -8.829 904 HG1 THR 120 HG1 THR 120 10.421 8.474 -9.768 905 1HG2 THR 120 1HG2 THR 120 9.675 6.313 -7.940 906 2HG2 THR 120 2HG2 THR 120 9.027 7.682 -7.037 907 3HG2 THR 120 3HG2 THR 120 10.502 7.870 -7.984 908 H TYR 121 H TYR 121 9.660 6.842 -11.947 909 HA TYR 121 HA TYR 121 11.089 4.270 -11.604 910 1HB TYR 121 2HB TYR 121 10.225 5.746 -13.837 911 2HB TYR 121 1HB TYR 121 11.982 5.894 -13.841 912 HD1 TYR 121 HD1 TYR 121 9.154 3.672 -14.350 913 HD2 TYR 121 HD2 TYR 121 13.408 3.822 -13.781 914 HE1 TYR 121 HE1 TYR 121 9.350 1.356 -15.214 915 HE2 TYR 121 HE2 TYR 121 13.604 1.505 -14.644 916 HH TYR 121 HH TYR 121 12.437 -0.082 -15.927 917 H TYR 122 H TYR 122 13.137 4.181 -10.790 918 HA TYR 122 HA TYR 122 14.393 6.549 -9.719 919 1HB TYR 122 2HB TYR 122 14.631 3.872 -9.227 920 2HB TYR 122 1HB TYR 122 16.096 4.171 -10.161 921 HD1 TYR 122 HD1 TYR 122 14.704 4.239 -6.928 922 HD2 TYR 122 HD2 TYR 122 17.393 6.405 -9.483 923 HE1 TYR 122 HE1 TYR 122 15.764 5.270 -4.938 924 HE2 TYR 122 HE2 TYR 122 18.454 7.437 -7.493 925 HH TYR 122 HH TYR 122 18.679 7.196 -5.201 926 H GLU 123 H GLU 123 15.556 8.012 -10.867 927 HA GLU 123 HA GLU 123 16.371 7.423 -13.615 928 1HB GLU 123 2HB GLU 123 16.696 9.847 -11.827 929 2HB GLU 123 1HB GLU 123 17.331 9.777 -13.472 930 1HG GLU 123 2HG GLU 123 14.527 8.916 -13.243 931 2HG GLU 123 1HG GLU 123 14.794 10.606 -12.814 932 H GLY 124 H GLY 124 17.803 5.582 -12.766 933 1HA GLY 124 2HA GLY 124 20.535 6.243 -13.027 934 2HA GLY 124 1HA GLY 124 20.198 6.154 -11.297 935 H LEU 125 H LEU 125 19.562 4.263 -14.272 936 HA LEU 125 HA LEU 125 20.280 1.821 -12.710 937 1HB LEU 125 2HB LEU 125 18.014 1.977 -14.719 938 2HB LEU 125 1HB LEU 125 18.445 0.595 -13.710 939 HG LEU 125 HG LEU 125 17.681 3.274 -12.537 940 1HD1 LEU 125 1HD1 LEU 125 15.960 0.953 -13.402 941 2HD1 LEU 125 2HD1 LEU 125 15.710 2.676 -13.688 942 3HD1 LEU 125 3HD1 LEU 125 15.465 2.004 -12.075 943 1HD2 LEU 125 1HD2 LEU 125 17.097 1.672 -10.607 944 2HD2 LEU 125 2HD2 LEU 125 18.811 1.914 -10.946 945 3HD2 LEU 125 3HD2 LEU 125 17.999 0.451 -11.504 946 H GLU 126 H GLU 126 22.368 2.232 -13.864 947 HA GLU 126 HA GLU 126 22.231 1.231 -16.681 948 1HB GLU 126 2HB GLU 126 23.980 3.344 -15.425 949 2HB GLU 126 1HB GLU 126 24.493 2.493 -16.883 950 1HG GLU 126 2HG GLU 126 21.845 3.943 -16.600 951 2HG GLU 126 1HG GLU 126 23.277 4.632 -17.367 952 H HIS 127 H HIS 127 24.492 0.239 -17.288 953 HA HIS 127 HA HIS 127 24.976 -1.944 -15.480 954 1HB HIS 127 2HB HIS 127 27.083 -2.190 -17.037 955 2HB HIS 127 1HB HIS 127 25.473 -2.488 -17.692 956 HD2 HIS 127 HD2 HIS 127 26.119 -1.504 -20.277 957 HE1 HIS 127 HE1 HIS 127 26.973 2.448 -19.053 958 HE2 HIS 127 HE2 HIS 127 26.619 0.934 -21.059 959 H HIS 128 H HIS 128 25.557 -0.980 -13.460 960 HA HIS 128 HA HIS 128 27.003 0.027 -11.897 961 1HB HIS 128 2HB HIS 128 28.875 -1.380 -13.809 962 2HB HIS 128 1HB HIS 128 29.454 -0.578 -12.349 963 HD2 HIS 128 HD2 HIS 128 28.936 -4.052 -13.025 964 HE1 HIS 128 HE1 HIS 128 26.796 -3.621 -9.409 965 HE2 HIS 128 HE2 HIS 128 27.838 -5.291 -11.009 966 H HIS 129 H HIS 129 29.197 1.449 -11.867 967 HA HIS 129 HA HIS 129 28.573 3.772 -13.550 968 1HB HIS 129 2HB HIS 129 29.212 3.977 -11.128 969 2HB HIS 129 1HB HIS 129 30.828 3.413 -11.555 970 HD2 HIS 129 HD2 HIS 129 28.929 5.999 -13.851 971 HE1 HIS 129 HE1 HIS 129 32.232 7.954 -12.090 972 HE2 HIS 129 HE2 HIS 129 30.360 8.179 -13.785 973 H HIS 130 H HIS 130 31.842 2.645 -12.767 974 HA HIS 130 HA HIS 130 32.534 1.687 -15.364 975 1HB HIS 130 2HB HIS 130 32.077 4.318 -15.590 976 2HB HIS 130 1HB HIS 130 33.743 4.394 -15.014 977 HD2 HIS 130 HD2 HIS 130 34.278 1.378 -16.814 978 HE1 HIS 130 HE1 HIS 130 34.024 4.129 -20.007 979 HE2 HIS 130 HE2 HIS 130 34.763 1.796 -19.343 980 H HIS 131 H HIS 131 33.131 0.769 -12.856 981 HA HIS 131 HA HIS 131 36.064 0.872 -12.882 982 1HB HIS 131 2HB HIS 131 35.011 2.777 -11.352 983 2HB HIS 131 1HB HIS 131 34.822 1.440 -10.217 984 HD2 HIS 131 HD2 HIS 131 37.768 -0.027 -11.172 985 HE1 HIS 131 HE1 HIS 131 39.400 3.530 -9.581 986 HE2 HIS 131 HE2 HIS 131 39.921 1.149 -10.284 987 H HIS 132 HN HIS 132 33.163 -0.216 -11.105 988 HA HIS 132 HA HIS 132 34.590 -2.763 -10.499 989 1HB HIS 132 2HB HIS 132 32.215 -1.362 -9.296 990 2HB HIS 132 1HB HIS 132 32.429 -3.097 -9.062 991 HD2 HIS 132 HD2 HIS 132 34.517 0.208 -8.307 992 HE1 HIS 132 HE1 HIS 132 35.801 -2.862 -5.707 993 HE2 HIS 132 HE2 HIS 132 36.064 -0.410 -6.299 Start of MODEL 3 1 1H MET 1 1H MET 1 -18.574 -13.728 9.561 2 2H MET 1 2H MET 1 -19.801 -14.483 10.462 3 3H MET 1 3H MET 1 -18.528 -13.686 11.257 4 HA MET 1 HA MET 1 -20.983 -12.632 10.571 5 1HB MET 1 2HB MET 1 -18.414 -11.214 11.344 6 2HB MET 1 1HB MET 1 -20.051 -10.594 11.560 7 1HG MET 1 2HG MET 1 -20.551 -12.128 13.255 8 2HG MET 1 1HG MET 1 -19.293 -13.253 12.743 9 1HE MET 1 1HE MET 1 -19.787 -9.512 14.138 10 2HE MET 1 2HE MET 1 -19.137 -9.910 15.726 11 3HE MET 1 3HE MET 1 -20.477 -10.847 15.071 12 H SER 2 H SER 2 -21.643 -12.081 8.540 13 HA SER 2 HA SER 2 -19.671 -10.671 6.783 14 1HB SER 2 2HB SER 2 -22.120 -12.209 5.884 15 2HB SER 2 1HB SER 2 -20.832 -11.566 4.868 16 HG SER 2 HG SER 2 -20.398 -13.450 6.942 17 H HIS 3 H HIS 3 -20.417 -8.701 7.998 18 HA HIS 3 HA HIS 3 -23.139 -7.804 7.176 19 1HB HIS 3 2HB HIS 3 -21.239 -6.590 9.207 20 2HB HIS 3 1HB HIS 3 -22.900 -6.081 8.904 21 HD2 HIS 3 HD2 HIS 3 -24.242 -7.041 11.135 22 HE1 HIS 3 HE1 HIS 3 -22.694 -10.969 11.095 23 HE2 HIS 3 HE2 HIS 3 -24.341 -9.407 12.226 24 H GLN 4 H GLN 4 -23.068 -6.736 5.253 25 HA GLN 4 HA GLN 4 -20.887 -5.659 3.922 26 1HB GLN 4 2HB GLN 4 -23.048 -5.748 2.840 27 2HB GLN 4 1HB GLN 4 -23.734 -4.622 4.013 28 1HG GLN 4 2HG GLN 4 -22.264 -2.841 3.221 29 2HG GLN 4 1HG GLN 4 -21.468 -3.958 2.110 30 1HE2 GLN 4 1HE2 GLN 4 -24.516 -5.065 1.962 31 2HE2 GLN 4 2HE2 GLN 4 -25.151 -4.092 0.723 32 H ASP 5 H ASP 5 -19.686 -3.768 4.057 33 HA ASP 5 HA ASP 5 -20.563 -1.648 5.929 34 1HB ASP 5 2HB ASP 5 -18.674 -3.614 6.682 35 2HB ASP 5 1HB ASP 5 -17.748 -2.152 6.343 36 H ASP 6 H ASP 6 -19.662 0.391 5.403 37 HA ASP 6 HA ASP 6 -17.940 0.415 2.956 38 1HB ASP 6 2HB ASP 6 -20.199 2.304 3.690 39 2HB ASP 6 1HB ASP 6 -19.122 2.513 2.309 40 H TYR 7 H TYR 7 -15.958 1.077 3.665 41 HA TYR 7 HA TYR 7 -15.880 3.492 5.423 42 1HB TYR 7 2HB TYR 7 -14.765 0.830 5.904 43 2HB TYR 7 1HB TYR 7 -13.537 2.092 5.991 44 HD1 TYR 7 HD1 TYR 7 -13.609 3.814 7.698 45 HD2 TYR 7 HD2 TYR 7 -16.717 0.864 7.413 46 HE1 TYR 7 HE1 TYR 7 -14.453 4.489 9.930 47 HE2 TYR 7 HE2 TYR 7 -17.561 1.539 9.646 48 HH TYR 7 HH TYR 7 -16.748 2.637 11.664 49 H LEU 8 H LEU 8 -15.774 4.120 2.907 50 HA LEU 8 HA LEU 8 -12.872 4.248 2.184 51 1HB LEU 8 2HB LEU 8 -14.137 2.965 0.527 52 2HB LEU 8 1HB LEU 8 -15.303 4.281 0.370 53 HG LEU 8 HG LEU 8 -12.564 5.216 0.009 54 1HD1 LEU 8 1HD1 LEU 8 -12.526 4.102 -2.358 55 2HD1 LEU 8 2HD1 LEU 8 -13.572 2.891 -1.616 56 3HD1 LEU 8 3HD1 LEU 8 -11.954 3.175 -0.972 57 1HD2 LEU 8 1HD2 LEU 8 -15.057 5.206 -1.724 58 2HD2 LEU 8 2HD2 LEU 8 -13.597 6.132 -2.072 59 3HD2 LEU 8 3HD2 LEU 8 -14.551 6.497 -0.635 60 H SER 9 H SER 9 -12.200 6.249 2.834 61 HA SER 9 HA SER 9 -14.037 8.556 2.371 62 1HB SER 9 2HB SER 9 -11.523 8.591 4.043 63 2HB SER 9 1HB SER 9 -12.879 9.713 4.093 64 HG SER 9 HG SER 9 -12.617 7.139 5.140 65 H VAL 10 H VAL 10 -13.359 10.275 1.093 66 HA VAL 10 HA VAL 10 -11.117 9.735 -0.718 67 HB VAL 10 HB VAL 10 -12.787 12.255 -0.582 68 1HG1 VAL 10 1HG1 VAL 10 -12.334 11.928 -3.156 69 2HG1 VAL 10 2HG1 VAL 10 -11.008 10.910 -2.593 70 3HG1 VAL 10 3HG1 VAL 10 -11.075 12.609 -2.126 71 1HG2 VAL 10 1HG2 VAL 10 -14.217 11.068 -2.317 72 2HG2 VAL 10 2HG2 VAL 10 -14.379 10.453 -0.672 73 3HG2 VAL 10 3HG2 VAL 10 -13.406 9.573 -1.849 74 H GLU 11 H GLU 11 -11.659 11.528 2.187 75 HA GLU 11 HA GLU 11 -9.426 13.377 1.764 76 1HB GLU 11 2HB GLU 11 -11.551 13.751 3.218 77 2HB GLU 11 1HB GLU 11 -10.706 12.790 4.431 78 1HG GLU 11 2HG GLU 11 -9.298 15.097 3.109 79 2HG GLU 11 1HG GLU 11 -10.416 15.395 4.440 80 H GLU 12 H GLU 12 -10.043 10.573 3.908 81 HA GLU 12 HA GLU 12 -7.525 10.475 5.159 82 1HB GLU 12 2HB GLU 12 -8.082 8.312 5.831 83 2HB GLU 12 1HB GLU 12 -9.673 8.969 5.445 84 1HG GLU 12 2HG GLU 12 -9.430 8.012 3.131 85 2HG GLU 12 1HG GLU 12 -7.947 7.221 3.668 86 H LEU 13 H LEU 13 -8.516 8.957 2.075 87 HA LEU 13 HA LEU 13 -6.036 7.713 1.483 88 1HB LEU 13 2HB LEU 13 -8.082 8.917 -0.408 89 2HB LEU 13 1HB LEU 13 -6.780 7.831 -0.893 90 HG LEU 13 HG LEU 13 -8.852 7.111 1.193 91 1HD1 LEU 13 1HD1 LEU 13 -8.777 6.173 -1.683 92 2HD1 LEU 13 2HD1 LEU 13 -9.765 7.538 -1.161 93 3HD1 LEU 13 3HD1 LEU 13 -10.061 5.931 -0.497 94 1HD2 LEU 13 1HD2 LEU 13 -7.896 4.800 0.082 95 2HD2 LEU 13 2HD2 LEU 13 -7.247 5.530 1.551 96 3HD2 LEU 13 3HD2 LEU 13 -6.468 5.832 -0.002 97 H ILE 14 H ILE 14 -7.200 10.990 0.701 98 HA ILE 14 HA ILE 14 -4.874 11.796 -0.755 99 HB ILE 14 HB ILE 14 -6.960 13.348 0.791 100 1HG1 ILE 14 2HG1 ILE 14 -6.399 13.241 -2.182 101 2HG1 ILE 14 1HG1 ILE 14 -7.500 12.118 -1.384 102 1HG2 ILE 14 1HG2 ILE 14 -4.393 14.227 -0.392 103 2HG2 ILE 14 2HG2 ILE 14 -5.385 14.998 0.846 104 3HG2 ILE 14 3HG2 ILE 14 -5.800 15.182 -0.858 105 1HD1 ILE 14 1HD1 ILE 14 -9.111 13.675 -1.638 106 2HD1 ILE 14 2HD1 ILE 14 -7.940 14.892 -2.144 107 3HD1 ILE 14 3HD1 ILE 14 -8.260 14.635 -0.429 108 H GLU 15 H GLU 15 -5.686 11.927 2.698 109 HA GLU 15 HA GLU 15 -3.403 13.452 3.512 110 1HB GLU 15 2HB GLU 15 -5.569 12.705 4.829 111 2HB GLU 15 1HB GLU 15 -4.564 11.328 5.283 112 1HG GLU 15 2HG GLU 15 -3.736 14.225 5.623 113 2HG GLU 15 1HG GLU 15 -4.423 13.232 6.909 114 H ILE 16 H ILE 16 -3.907 9.940 4.050 115 HA ILE 16 HA ILE 16 -1.349 9.199 4.745 116 HB ILE 16 HB ILE 16 -3.294 7.775 2.917 117 1HG1 ILE 16 2HG1 ILE 16 -2.524 6.823 5.634 118 2HG1 ILE 16 1HG1 ILE 16 -3.509 8.285 5.554 119 1HG2 ILE 16 1HG2 ILE 16 -1.877 5.736 3.474 120 2HG2 ILE 16 2HG2 ILE 16 -0.638 6.854 4.044 121 3HG2 ILE 16 3HG2 ILE 16 -1.138 6.878 2.353 122 1HD1 ILE 16 1HD1 ILE 16 -5.201 7.137 4.244 123 2HD1 ILE 16 2HD1 ILE 16 -4.870 6.184 5.690 124 3HD1 ILE 16 3HD1 ILE 16 -4.192 5.694 4.136 125 H GLN 17 H GLN 17 -2.419 8.963 1.327 126 HA GLN 17 HA GLN 17 0.058 8.628 0.129 127 1HB GLN 17 2HB GLN 17 -2.526 9.737 -0.706 128 2HB GLN 17 1HB GLN 17 -1.165 10.426 -1.592 129 1HG GLN 17 2HG GLN 17 -0.356 8.156 -2.125 130 2HG GLN 17 1HG GLN 17 -1.720 7.465 -1.245 131 1HE2 GLN 17 1HE2 GLN 17 -3.849 9.073 -2.082 132 2HE2 GLN 17 2HE2 GLN 17 -4.058 8.926 -3.760 133 H LYS 18 H LYS 18 -1.275 11.570 1.517 134 HA LYS 18 HA LYS 18 0.539 13.465 0.434 135 1HB LYS 18 2HB LYS 18 -1.545 13.714 2.067 136 2HB LYS 18 1HB LYS 18 -0.292 13.672 3.308 137 1HG LYS 18 2HG LYS 18 0.848 15.560 2.312 138 2HG LYS 18 1HG LYS 18 -0.234 15.536 0.919 139 1HD LYS 18 2HD LYS 18 -1.750 15.667 3.388 140 2HD LYS 18 1HD LYS 18 -0.589 16.992 3.299 141 1HE LYS 18 2HE LYS 18 -2.365 16.285 0.960 142 2HE LYS 18 1HE LYS 18 -2.897 17.392 2.227 143 1HZ LYS 18 1HZ LYS 18 -0.286 18.068 1.400 144 2HZ LYS 18 2HZ LYS 18 -1.703 19.003 1.327 145 3HZ LYS 18 3HZ LYS 18 -1.294 17.971 0.040 146 H GLU 19 H GLU 19 0.769 11.659 3.518 147 HA GLU 19 HA GLU 19 3.505 12.517 3.981 148 1HB GLU 19 2HB GLU 19 2.348 10.050 5.243 149 2HB GLU 19 1HB GLU 19 3.389 11.283 5.956 150 1HG GLU 19 2HG GLU 19 0.482 11.668 5.179 151 2HG GLU 19 1HG GLU 19 1.087 11.473 6.823 152 H GLU 20 H GLU 20 2.156 9.260 3.314 153 HA GLU 20 HA GLU 20 4.410 7.787 2.863 154 1HB GLU 20 2HB GLU 20 1.708 7.672 1.938 155 2HB GLU 20 1HB GLU 20 2.762 7.313 0.569 156 1HG GLU 20 2HG GLU 20 3.931 5.605 1.902 157 2HG GLU 20 1HG GLU 20 2.898 5.971 3.285 158 H THR 21 H THR 21 2.936 9.833 0.311 159 HA THR 21 HA THR 21 4.949 9.517 -1.630 160 HB THR 21 HB THR 21 3.536 12.139 -1.089 161 HG1 THR 21 HG1 THR 21 1.746 11.185 -1.563 162 1HG2 THR 21 1HG2 THR 21 5.293 11.217 -3.112 163 2HG2 THR 21 2HG2 THR 21 4.381 12.726 -3.086 164 3HG2 THR 21 3HG2 THR 21 3.684 11.289 -3.834 165 H ARG 22 H ARG 22 4.700 12.250 0.686 166 HA ARG 22 HA ARG 22 7.132 13.488 0.200 167 1HB ARG 22 2HB ARG 22 5.412 14.184 1.913 168 2HB ARG 22 1HB ARG 22 6.067 12.945 2.985 169 1HG ARG 22 2HG ARG 22 8.348 14.256 2.194 170 2HG ARG 22 1HG ARG 22 7.179 15.576 2.258 171 1HD ARG 22 2HD ARG 22 8.213 15.339 4.451 172 2HD ARG 22 1HD ARG 22 6.529 14.827 4.556 173 HE ARG 22 HE ARG 22 7.888 12.479 4.024 174 1HH1 ARG 22 1HH2 ARG 22 8.148 15.043 6.315 175 2HH1 ARG 22 2HH2 ARG 22 8.769 14.031 7.576 176 1HH2 ARG 22 2HH1 ARG 22 8.700 11.143 5.656 177 2HH2 ARG 22 1HH1 ARG 22 9.083 11.823 7.203 178 H ASP 23 H ASP 23 6.584 10.561 2.146 179 HA ASP 23 HA ASP 23 9.196 10.230 3.171 180 1HB ASP 23 2HB ASP 23 6.890 8.785 3.307 181 2HB ASP 23 1HB ASP 23 7.854 7.759 2.243 182 H ILE 24 H ILE 24 7.843 9.004 0.092 183 HA ILE 24 HA ILE 24 10.292 7.810 -0.806 184 HB ILE 24 HB ILE 24 7.997 8.917 -2.454 185 1HG1 ILE 24 2HG1 ILE 24 8.480 6.084 -1.487 186 2HG1 ILE 24 1HG1 ILE 24 7.388 7.216 -0.687 187 1HG2 ILE 24 1HG2 ILE 24 10.519 7.792 -3.192 188 2HG2 ILE 24 2HG2 ILE 24 9.180 8.244 -4.245 189 3HG2 ILE 24 3HG2 ILE 24 9.267 6.613 -3.581 190 1HD1 ILE 24 1HD1 ILE 24 6.620 5.517 -2.682 191 2HD1 ILE 24 2HD1 ILE 24 7.001 6.970 -3.608 192 3HD1 ILE 24 3HD1 ILE 24 5.803 7.037 -2.314 193 H ILE 25 H ILE 25 8.757 10.745 -2.171 194 HA ILE 25 HA ILE 25 10.794 11.783 -3.656 195 HB ILE 25 HB ILE 25 9.424 13.591 -1.670 196 1HG1 ILE 25 2HG1 ILE 25 7.645 12.148 -2.373 197 2HG1 ILE 25 1HG1 ILE 25 7.515 13.601 -3.365 198 1HG2 ILE 25 1HG2 ILE 25 9.251 14.928 -3.893 199 2HG2 ILE 25 2HG2 ILE 25 10.449 13.785 -4.499 200 3HG2 ILE 25 3HG2 ILE 25 10.830 14.810 -3.116 201 1HD1 ILE 25 1HD1 ILE 25 7.288 11.674 -4.818 202 2HD1 ILE 25 2HD1 ILE 25 8.763 10.958 -4.169 203 3HD1 ILE 25 3HD1 ILE 25 8.850 12.427 -5.142 204 H GLN 26 H GLN 26 10.722 11.617 -0.141 205 HA GLN 26 HA GLN 26 13.035 13.315 0.263 206 1HB GLN 26 2HB GLN 26 11.651 11.259 2.001 207 2HB GLN 26 1HB GLN 26 13.042 12.195 2.550 208 1HG GLN 26 2HG GLN 26 10.978 13.857 1.300 209 2HG GLN 26 1HG GLN 26 10.396 12.998 2.727 210 1HE2 GLN 26 1HE2 GLN 26 10.378 15.403 3.536 211 2HE2 GLN 26 2HE2 GLN 26 11.805 15.960 4.267 212 H ALA 27 H ALA 27 12.562 9.777 0.142 213 HA ALA 27 HA ALA 27 15.361 9.186 0.557 214 1HB ALA 27 1HB ALA 27 13.137 7.516 -0.655 215 2HB ALA 27 2HB ALA 27 13.646 7.510 1.034 216 3HB ALA 27 3HB ALA 27 14.731 6.901 -0.216 217 H LEU 28 H LEU 28 13.351 9.739 -2.296 218 HA LEU 28 HA LEU 28 15.319 8.840 -4.208 219 1HB LEU 28 2HB LEU 28 12.665 9.697 -4.313 220 2HB LEU 28 1HB LEU 28 13.553 10.945 -5.189 221 HG LEU 28 HG LEU 28 13.892 7.978 -5.702 222 1HD1 LEU 28 1HD1 LEU 28 12.179 8.019 -7.201 223 2HD1 LEU 28 2HD1 LEU 28 12.550 9.662 -7.724 224 3HD1 LEU 28 3HD1 LEU 28 11.612 9.395 -6.254 225 1HD2 LEU 28 1HD2 LEU 28 14.644 10.405 -7.363 226 2HD2 LEU 28 2HD2 LEU 28 15.046 8.723 -7.710 227 3HD2 LEU 28 3HD2 LEU 28 15.769 9.534 -6.320 228 H LEU 29 H LEU 29 14.301 12.145 -3.261 229 HA LEU 29 HA LEU 29 16.278 13.550 -4.690 230 1HB LEU 29 2HB LEU 29 14.345 14.151 -2.682 231 2HB LEU 29 1HB LEU 29 15.884 14.830 -2.149 232 HG LEU 29 HG LEU 29 14.666 15.254 -4.894 233 1HD1 LEU 29 1HD1 LEU 29 14.119 17.483 -4.144 234 2HD1 LEU 29 2HD1 LEU 29 14.934 17.220 -2.602 235 3HD1 LEU 29 3HD1 LEU 29 13.444 16.351 -2.973 236 1HD2 LEU 29 1HD2 LEU 29 17.308 15.414 -4.120 237 2HD2 LEU 29 2HD2 LEU 29 16.750 17.070 -3.882 238 3HD2 LEU 29 3HD2 LEU 29 16.598 16.307 -5.465 239 H GLU 30 H GLU 30 16.422 12.536 -1.251 240 HA GLU 30 HA GLU 30 19.024 13.315 -0.654 241 1HB GLU 30 2HB GLU 30 17.452 12.180 0.936 242 2HB GLU 30 1HB GLU 30 17.797 10.651 0.125 243 1HG GLU 30 2HG GLU 30 20.261 11.101 0.606 244 2HG GLU 30 1HG GLU 30 19.719 12.402 1.669 245 H ASP 31 H ASP 31 17.998 10.353 -2.351 246 HA ASP 31 HA ASP 31 20.498 9.110 -2.651 247 1HB ASP 31 2HB ASP 31 17.908 8.842 -3.789 248 2HB ASP 31 1HB ASP 31 19.050 8.910 -5.130 249 H GLY 32 H GLY 32 19.240 11.982 -4.200 250 1HA GLY 32 2HA GLY 32 20.849 13.614 -5.096 251 2HA GLY 32 1HA GLY 32 21.860 12.262 -5.608 252 H SER 33 H SER 33 18.410 12.112 -6.068 253 HA SER 33 HA SER 33 18.537 11.484 -8.806 254 1HB SER 33 2HB SER 33 16.233 11.553 -8.769 255 2HB SER 33 1HB SER 33 16.531 11.541 -7.033 256 HG SER 33 HG SER 33 15.819 13.518 -6.924 257 H ASP 34 H ASP 34 17.141 13.115 -10.391 258 HA ASP 34 HA ASP 34 18.367 15.826 -10.171 259 1HB ASP 34 2HB ASP 34 18.348 14.114 -12.678 260 2HB ASP 34 1HB ASP 34 18.966 15.763 -12.553 261 HA PRO 35 HA PRO 35 13.843 16.174 -10.924 262 1HB PRO 35 2HB PRO 35 14.337 18.890 -9.875 263 2HB PRO 35 1HB PRO 35 13.193 17.658 -9.316 264 1HG PRO 35 2HG PRO 35 15.410 18.325 -7.942 265 2HG PRO 35 1HG PRO 35 14.703 16.702 -7.905 266 1HD PRO 35 2HD PRO 35 17.141 17.665 -9.341 267 2HD PRO 35 1HD PRO 35 16.805 16.071 -8.628 268 H ASP 36 H ASP 36 16.470 18.374 -11.799 269 HA ASP 36 HA ASP 36 14.970 20.011 -13.614 270 1HB ASP 36 2HB ASP 36 17.596 19.935 -12.687 271 2HB ASP 36 1HB ASP 36 17.747 19.596 -14.411 272 H ALA 37 H ALA 37 15.460 16.759 -13.771 273 HA ALA 37 HA ALA 37 15.599 16.760 -16.758 274 1HB ALA 37 1HB ALA 37 15.843 14.121 -15.925 275 2HB ALA 37 2HB ALA 37 16.723 15.021 -14.689 276 3HB ALA 37 3HB ALA 37 17.175 15.179 -16.387 277 H LEU 38 H LEU 38 13.227 17.201 -14.882 278 HA LEU 38 HA LEU 38 10.977 16.537 -14.782 279 1HB LEU 38 2HB LEU 38 11.900 15.650 -17.498 280 2HB LEU 38 1HB LEU 38 10.292 15.186 -16.942 281 HG LEU 38 HG LEU 38 10.375 17.361 -18.237 282 1HD1 LEU 38 1HD1 LEU 38 8.897 16.632 -16.001 283 2HD1 LEU 38 2HD1 LEU 38 8.531 17.977 -17.081 284 3HD1 LEU 38 3HD1 LEU 38 9.456 18.258 -15.607 285 1HD2 LEU 38 1HD2 LEU 38 11.659 18.416 -15.703 286 2HD2 LEU 38 2HD2 LEU 38 11.332 19.306 -17.190 287 3HD2 LEU 38 3HD2 LEU 38 12.575 18.055 -17.166 288 H TYR 39 H TYR 39 9.547 14.521 -14.709 289 HA TYR 39 HA TYR 39 11.114 12.032 -14.271 290 1HB TYR 39 2HB TYR 39 9.917 13.674 -12.195 291 2HB TYR 39 1HB TYR 39 9.193 12.066 -12.217 292 HD1 TYR 39 HD1 TYR 39 10.380 10.175 -11.419 293 HD2 TYR 39 HD2 TYR 39 12.456 13.869 -12.121 294 HE1 TYR 39 HE1 TYR 39 12.406 9.242 -10.334 295 HE2 TYR 39 HE2 TYR 39 14.482 12.937 -11.035 296 HH TYR 39 HH TYR 39 14.442 10.132 -9.170 297 H GLU 40 H GLU 40 9.829 10.114 -14.462 298 HA GLU 40 HA GLU 40 7.249 10.579 -15.882 299 1HB GLU 40 2HB GLU 40 7.573 8.352 -16.843 300 2HB GLU 40 1HB GLU 40 9.021 9.325 -17.109 301 1HG GLU 40 2HG GLU 40 9.655 8.235 -14.721 302 2HG GLU 40 1HG GLU 40 8.632 6.950 -15.365 303 H ILE 41 H ILE 41 5.414 10.083 -14.785 304 HA ILE 41 HA ILE 41 5.658 8.465 -12.306 305 HB ILE 41 HB ILE 41 3.081 9.738 -13.126 306 1HG1 ILE 41 2HG1 ILE 41 4.858 11.418 -13.682 307 2HG1 ILE 41 1HG1 ILE 41 3.792 11.939 -12.379 308 1HG2 ILE 41 1HG2 ILE 41 4.586 9.183 -10.576 309 2HG2 ILE 41 2HG2 ILE 41 2.950 8.706 -11.027 310 3HG2 ILE 41 3HG2 ILE 41 3.294 10.382 -10.603 311 1HD1 ILE 41 1HD1 ILE 41 6.527 11.964 -12.235 312 2HD1 ILE 41 2HD1 ILE 41 6.154 10.418 -11.478 313 3HD1 ILE 41 3HD1 ILE 41 5.458 11.904 -10.834 314 H GLU 42 H GLU 42 4.596 6.505 -12.070 315 HA GLU 42 HA GLU 42 3.156 5.500 -14.494 316 1HB GLU 42 2HB GLU 42 5.417 4.439 -13.807 317 2HB GLU 42 1HB GLU 42 4.521 3.738 -12.459 318 1HG GLU 42 2HG GLU 42 2.926 3.301 -14.745 319 2HG GLU 42 1HG GLU 42 4.575 2.904 -15.230 320 H HIS 43 H HIS 43 1.000 5.432 -14.062 321 HA HIS 43 HA HIS 43 0.135 4.849 -11.268 322 1HB HIS 43 2HB HIS 43 -1.420 6.002 -13.605 323 2HB HIS 43 1HB HIS 43 -2.050 5.766 -11.973 324 HD2 HIS 43 HD2 HIS 43 -0.278 8.497 -13.939 325 HE1 HIS 43 HE1 HIS 43 0.456 9.374 -9.874 326 HE2 HIS 43 HE2 HIS 43 0.594 10.275 -12.242 327 H HIS 44 H HIS 44 -1.155 3.068 -10.833 328 HA HIS 44 HA HIS 44 -1.732 1.256 -13.146 329 1HB HIS 44 2HB HIS 44 -0.184 0.776 -10.814 330 2HB HIS 44 1HB HIS 44 -1.677 -0.141 -10.621 331 HD2 HIS 44 HD2 HIS 44 -1.934 -0.795 -13.975 332 HE1 HIS 44 HE1 HIS 44 1.657 -2.904 -13.265 333 HE2 HIS 44 HE2 HIS 44 -0.280 -2.601 -14.876 334 H LEU 45 H LEU 45 -3.908 1.327 -13.514 335 HA LEU 45 HA LEU 45 -5.705 1.326 -11.119 336 1HB LEU 45 2HB LEU 45 -6.142 2.668 -13.806 337 2HB LEU 45 1HB LEU 45 -7.343 2.581 -12.517 338 HG LEU 45 HG LEU 45 -5.147 3.551 -11.177 339 1HD1 LEU 45 1HD1 LEU 45 -5.219 4.907 -13.889 340 2HD1 LEU 45 2HD1 LEU 45 -3.968 3.770 -13.384 341 3HD1 LEU 45 3HD1 LEU 45 -4.160 5.304 -12.536 342 1HD2 LEU 45 1HD2 LEU 45 -7.497 4.368 -11.077 343 2HD2 LEU 45 2HD2 LEU 45 -7.260 5.178 -12.626 344 3HD2 LEU 45 3HD2 LEU 45 -6.342 5.694 -11.211 345 H PHE 46 H PHE 46 -7.522 -0.057 -11.244 346 HA PHE 46 HA PHE 46 -7.678 -1.782 -13.677 347 1HB PHE 46 2HB PHE 46 -8.397 -3.500 -11.663 348 2HB PHE 46 1HB PHE 46 -6.790 -3.431 -12.387 349 HD1 PHE 46 HD1 PHE 46 -8.574 -1.095 -10.063 350 HD2 PHE 46 HD2 PHE 46 -5.211 -3.694 -10.682 351 HE1 PHE 46 HE1 PHE 46 -7.623 -0.384 -7.887 352 HE2 PHE 46 HE2 PHE 46 -4.261 -2.985 -8.506 353 HZ PHE 46 HZ PHE 46 -5.466 -1.328 -7.107 354 H ALA 47 H ALA 47 -9.806 -3.017 -13.713 355 HA ALA 47 HA ALA 47 -11.995 -1.820 -12.152 356 1HB ALA 47 1HB ALA 47 -13.092 -0.726 -13.875 357 2HB ALA 47 2HB ALA 47 -12.345 -1.722 -15.124 358 3HB ALA 47 3HB ALA 47 -11.419 -0.436 -14.348 359 H GLU 48 H GLU 48 -14.151 -2.880 -12.936 360 HA GLU 48 HA GLU 48 -13.549 -5.740 -13.561 361 1HB GLU 48 2HB GLU 48 -15.404 -4.402 -11.695 362 2HB GLU 48 1HB GLU 48 -16.116 -5.735 -12.603 363 1HG GLU 48 2HG GLU 48 -14.652 -7.310 -11.709 364 2HG GLU 48 1HG GLU 48 -13.417 -6.104 -11.347 365 H ASP 49 H ASP 49 -15.411 -2.932 -14.508 366 HA ASP 49 HA ASP 49 -16.755 -4.558 -16.620 367 1HB ASP 49 2HB ASP 49 -17.390 -1.886 -15.362 368 2HB ASP 49 1HB ASP 49 -18.122 -2.383 -16.888 369 H PHE 50 H PHE 50 -15.258 -4.625 -18.290 370 HA PHE 50 HA PHE 50 -13.345 -2.740 -19.009 371 1HB PHE 50 2HB PHE 50 -13.147 -3.881 -21.008 372 2HB PHE 50 1HB PHE 50 -14.083 -5.065 -20.098 373 HD1 PHE 50 HD1 PHE 50 -16.774 -4.070 -20.059 374 HD2 PHE 50 HD2 PHE 50 -13.876 -3.841 -23.221 375 HE1 PHE 50 HE1 PHE 50 -18.603 -3.896 -21.723 376 HE2 PHE 50 HE2 PHE 50 -15.705 -3.668 -24.886 377 HZ PHE 50 HZ PHE 50 -18.070 -3.695 -24.137 378 H ASP 51 H ASP 51 -16.744 -2.363 -19.094 379 HA ASP 51 HA ASP 51 -16.937 -0.421 -21.215 380 1HB ASP 51 2HB ASP 51 -18.660 -1.419 -19.030 381 2HB ASP 51 1HB ASP 51 -18.976 0.245 -19.519 382 H LYS 52 H LYS 52 -17.114 0.094 -17.670 383 HA LYS 52 HA LYS 52 -16.631 2.917 -17.862 384 1HB LYS 52 2HB LYS 52 -16.463 2.888 -15.481 385 2HB LYS 52 1HB LYS 52 -17.632 1.631 -15.884 386 1HG LYS 52 2HG LYS 52 -15.790 -0.054 -15.788 387 2HG LYS 52 1HG LYS 52 -14.695 1.222 -15.249 388 1HD LYS 52 2HD LYS 52 -15.874 1.533 -13.217 389 2HD LYS 52 1HD LYS 52 -17.283 0.650 -13.801 390 1HE LYS 52 2HE LYS 52 -15.272 -1.229 -14.034 391 2HE LYS 52 1HE LYS 52 -14.820 -0.366 -12.564 392 1HZ LYS 52 1HZ LYS 52 -16.313 -2.186 -12.067 393 2HZ LYS 52 2HZ LYS 52 -17.478 -1.561 -13.134 394 3HZ LYS 52 3HZ LYS 52 -17.066 -0.705 -11.726 395 H LEU 53 H LEU 53 -14.523 0.119 -17.682 396 HA LEU 53 HA LEU 53 -12.108 1.426 -16.916 397 1HB LEU 53 2HB LEU 53 -12.623 -1.113 -17.241 398 2HB LEU 53 1HB LEU 53 -12.165 -0.823 -18.920 399 HG LEU 53 HG LEU 53 -10.403 0.054 -16.631 400 1HD1 LEU 53 1HD1 LEU 53 -9.300 -2.017 -16.597 401 2HD1 LEU 53 2HD1 LEU 53 -9.974 -2.509 -18.152 402 3HD1 LEU 53 3HD1 LEU 53 -10.994 -2.494 -16.712 403 1HD2 LEU 53 1HD2 LEU 53 -10.081 -0.415 -19.601 404 2HD2 LEU 53 2HD2 LEU 53 -8.688 -0.316 -18.524 405 3HD2 LEU 53 3HD2 LEU 53 -9.775 1.064 -18.689 406 H GLU 54 H GLU 54 -13.395 0.707 -20.177 407 HA GLU 54 HA GLU 54 -11.322 2.042 -21.615 408 1HB GLU 54 2HB GLU 54 -13.903 0.852 -22.198 409 2HB GLU 54 1HB GLU 54 -13.697 2.353 -23.100 410 1HG GLU 54 2HG GLU 54 -11.750 1.581 -24.180 411 2HG GLU 54 1HG GLU 54 -11.491 0.302 -22.992 412 H LYS 55 H LYS 55 -14.549 3.206 -20.596 413 HA LYS 55 HA LYS 55 -14.404 5.816 -21.610 414 1HB LYS 55 2HB LYS 55 -16.029 4.409 -19.743 415 2HB LYS 55 1HB LYS 55 -15.554 5.926 -18.979 416 1HG LYS 55 2HG LYS 55 -17.587 6.326 -20.233 417 2HG LYS 55 1HG LYS 55 -16.258 7.121 -21.079 418 1HD LYS 55 2HD LYS 55 -17.050 6.010 -22.901 419 2HD LYS 55 1HD LYS 55 -16.195 4.629 -22.211 420 1HE LYS 55 2HE LYS 55 -19.126 5.321 -21.931 421 2HE LYS 55 1HE LYS 55 -18.420 3.869 -22.640 422 1HZ LYS 55 1HZ LYS 55 -17.973 4.610 -19.812 423 2HZ LYS 55 2HZ LYS 55 -17.733 3.102 -20.557 424 3HZ LYS 55 3HZ LYS 55 -19.309 3.681 -20.294 425 H ALA 56 H ALA 56 -13.459 4.823 -18.291 426 HA ALA 56 HA ALA 56 -12.312 7.286 -17.522 427 1HB ALA 56 1HB ALA 56 -12.405 5.867 -15.715 428 2HB ALA 56 2HB ALA 56 -10.729 5.572 -16.177 429 3HB ALA 56 3HB ALA 56 -11.993 4.447 -16.676 430 H ALA 57 H ALA 57 -10.706 4.460 -19.013 431 HA ALA 57 HA ALA 57 -8.099 5.484 -19.170 432 1HB ALA 57 1HB ALA 57 -8.184 3.300 -19.913 433 2HB ALA 57 2HB ALA 57 -8.164 4.125 -21.472 434 3HB ALA 57 3HB ALA 57 -9.689 3.551 -20.797 435 H VAL 58 H VAL 58 -10.533 5.654 -21.801 436 HA VAL 58 HA VAL 58 -9.216 7.296 -23.587 437 HB VAL 58 HB VAL 58 -12.122 7.478 -22.739 438 1HG1 VAL 58 1HG1 VAL 58 -12.215 8.337 -25.237 439 2HG1 VAL 58 2HG1 VAL 58 -10.544 8.803 -24.920 440 3HG1 VAL 58 3HG1 VAL 58 -11.845 9.461 -23.929 441 1HG2 VAL 58 1HG2 VAL 58 -12.552 5.814 -24.292 442 2HG2 VAL 58 2HG2 VAL 58 -10.935 5.328 -23.780 443 3HG2 VAL 58 3HG2 VAL 58 -11.151 6.232 -25.279 444 H GLU 59 H GLU 59 -11.329 8.586 -20.983 445 HA GLU 59 HA GLU 59 -10.699 11.295 -21.271 446 1HB GLU 59 2HB GLU 59 -11.547 9.579 -18.988 447 2HB GLU 59 1HB GLU 59 -10.889 11.165 -18.584 448 1HG GLU 59 2HG GLU 59 -13.239 11.490 -18.855 449 2HG GLU 59 1HG GLU 59 -12.496 12.125 -20.322 450 H ALA 60 H ALA 60 -8.855 8.774 -19.586 451 HA ALA 60 HA ALA 60 -6.867 10.557 -18.503 452 1HB ALA 60 1HB ALA 60 -6.517 8.600 -17.421 453 2HB ALA 60 2HB ALA 60 -5.595 8.113 -18.843 454 3HB ALA 60 3HB ALA 60 -7.295 7.666 -18.699 455 H PHE 61 H PHE 61 -7.199 8.856 -21.581 456 HA PHE 61 HA PHE 61 -4.503 9.363 -22.483 457 1HB PHE 61 2HB PHE 61 -6.029 7.628 -23.467 458 2HB PHE 61 1HB PHE 61 -6.987 8.933 -24.170 459 HD1 PHE 61 HD1 PHE 61 -6.525 9.445 -26.389 460 HD2 PHE 61 HD2 PHE 61 -3.355 8.008 -23.871 461 HE1 PHE 61 HE1 PHE 61 -4.949 9.576 -28.299 462 HE2 PHE 61 HE2 PHE 61 -1.778 8.140 -25.782 463 HZ PHE 61 HZ PHE 61 -2.576 8.923 -27.996 464 H LYS 62 H LYS 62 -7.622 10.954 -23.235 465 HA LYS 62 HA LYS 62 -6.441 13.065 -24.783 466 1HB LYS 62 2HB LYS 62 -8.899 12.362 -24.727 467 2HB LYS 62 1HB LYS 62 -9.021 13.267 -23.218 468 1HG LYS 62 2HG LYS 62 -7.888 15.189 -24.617 469 2HG LYS 62 1HG LYS 62 -8.511 14.281 -25.996 470 1HD LYS 62 2HD LYS 62 -10.757 14.269 -24.677 471 2HD LYS 62 1HD LYS 62 -10.041 15.596 -23.762 472 1HE LYS 62 2HE LYS 62 -11.301 16.548 -25.598 473 2HE LYS 62 1HE LYS 62 -9.584 16.764 -25.941 474 1HZ LYS 62 1HZ LYS 62 -10.782 15.939 -27.873 475 2HZ LYS 62 2HZ LYS 62 -11.294 14.576 -26.998 476 3HZ LYS 62 3HZ LYS 62 -9.644 14.800 -27.337 477 H MET 63 H MET 63 -7.349 12.820 -21.346 478 HA MET 63 HA MET 63 -6.881 15.470 -20.550 479 1HB MET 63 2HB MET 63 -7.733 13.747 -19.010 480 2HB MET 63 1HB MET 63 -6.165 12.937 -19.039 481 1HG MET 63 2HG MET 63 -5.316 14.361 -17.510 482 2HG MET 63 1HG MET 63 -5.879 15.764 -18.417 483 1HE MET 63 1HE MET 63 -8.689 13.051 -16.292 484 2HE MET 63 2HE MET 63 -7.282 13.238 -15.249 485 3HE MET 63 3HE MET 63 -7.069 12.711 -16.916 486 H GLY 64 H GLY 64 -4.452 12.855 -20.199 487 1HA GLY 64 2HA GLY 64 -2.323 13.987 -21.571 488 2HA GLY 64 1HA GLY 64 -2.287 14.783 -19.997 489 H PHE 65 H PHE 65 -3.449 11.500 -20.309 490 HA PHE 65 HA PHE 65 -0.968 10.578 -18.910 491 1HB PHE 65 2HB PHE 65 -3.857 9.732 -18.636 492 2HB PHE 65 1HB PHE 65 -2.532 8.725 -18.052 493 HD1 PHE 65 HD1 PHE 65 -1.049 9.517 -16.237 494 HD2 PHE 65 HD2 PHE 65 -4.437 11.810 -17.544 495 HE1 PHE 65 HE1 PHE 65 -0.909 10.895 -14.179 496 HE2 PHE 65 HE2 PHE 65 -4.297 13.189 -15.488 497 HZ PHE 65 HZ PHE 65 -2.534 12.732 -13.805 498 H GLU 66 H GLU 66 0.129 8.873 -19.824 499 HA GLU 66 HA GLU 66 -0.765 7.950 -22.468 500 1HB GLU 66 2HB GLU 66 1.695 7.246 -20.836 501 2HB GLU 66 1HB GLU 66 1.412 6.765 -22.509 502 1HG GLU 66 2HG GLU 66 0.976 9.470 -22.637 503 2HG GLU 66 1HG GLU 66 2.250 9.374 -21.421 504 H VAL 67 H VAL 67 -2.719 6.851 -21.505 505 HA VAL 67 HA VAL 67 -2.776 4.776 -19.678 506 HB VAL 67 HB VAL 67 -4.659 5.704 -21.228 507 1HG1 VAL 67 1HG1 VAL 67 -5.111 4.473 -23.216 508 2HG1 VAL 67 2HG1 VAL 67 -3.925 3.234 -22.809 509 3HG1 VAL 67 3HG1 VAL 67 -3.388 4.843 -23.289 510 1HG2 VAL 67 1HG2 VAL 67 -4.298 3.168 -19.833 511 2HG2 VAL 67 2HG2 VAL 67 -5.479 3.030 -21.136 512 3HG2 VAL 67 3HG2 VAL 67 -5.704 4.233 -19.865 513 H LEU 68 H LEU 68 -2.382 2.514 -19.760 514 HA LEU 68 HA LEU 68 -0.723 1.606 -22.078 515 1HB LEU 68 2HB LEU 68 0.520 2.083 -19.860 516 2HB LEU 68 1HB LEU 68 -0.301 0.647 -19.246 517 HG LEU 68 HG LEU 68 0.611 -0.351 -21.574 518 1HD1 LEU 68 1HD1 LEU 68 1.691 1.870 -22.103 519 2HD1 LEU 68 2HD1 LEU 68 2.810 0.507 -22.092 520 3HD1 LEU 68 3HD1 LEU 68 2.755 1.613 -20.720 521 1HD2 LEU 68 1HD2 LEU 68 2.098 -0.066 -18.948 522 2HD2 LEU 68 2HD2 LEU 68 2.599 -1.167 -20.231 523 3HD2 LEU 68 3HD2 LEU 68 1.040 -1.390 -19.437 524 H GLU 69 H GLU 69 -1.282 -0.397 -22.894 525 HA GLU 69 HA GLU 69 -3.766 -1.538 -22.597 526 1HB GLU 69 2HB GLU 69 -2.874 -3.593 -23.494 527 2HB GLU 69 1HB GLU 69 -1.969 -2.264 -24.220 528 1HG GLU 69 2HG GLU 69 -0.296 -2.587 -22.280 529 2HG GLU 69 1HG GLU 69 -1.097 -4.137 -22.021 530 H ALA 70 H ALA 70 -4.543 -3.445 -21.403 531 HA ALA 70 HA ALA 70 -3.296 -3.605 -18.692 532 1HB ALA 70 1HB ALA 70 -6.116 -3.652 -19.672 533 2HB ALA 70 2HB ALA 70 -5.440 -2.881 -18.239 534 3HB ALA 70 3HB ALA 70 -5.728 -4.620 -18.251 535 H GLU 71 H GLU 71 -3.860 -5.803 -17.603 536 HA GLU 71 HA GLU 71 -3.711 -8.035 -19.572 537 1HB GLU 71 2HB GLU 71 -2.056 -9.003 -17.695 538 2HB GLU 71 1HB GLU 71 -1.462 -8.042 -19.049 539 1HG GLU 71 2HG GLU 71 -1.662 -5.995 -17.633 540 2HG GLU 71 1HG GLU 71 -2.134 -7.018 -16.276 541 H GLU 72 H GLU 72 -4.461 -10.078 -18.673 542 HA GLU 72 HA GLU 72 -6.621 -9.741 -16.773 543 1HB GLU 72 2HB GLU 72 -5.378 -12.308 -17.807 544 2HB GLU 72 1HB GLU 72 -6.961 -12.146 -17.047 545 1HG GLU 72 2HG GLU 72 -6.462 -10.365 -19.366 546 2HG GLU 72 1HG GLU 72 -6.592 -12.085 -19.736 547 H THR 73 H THR 73 -6.507 -9.890 -14.582 548 HA THR 73 HA THR 73 -4.071 -11.178 -13.410 549 HB THR 73 HB THR 73 -3.704 -9.060 -12.637 550 HG1 THR 73 HG1 THR 73 -5.929 -9.535 -10.969 551 1HG2 THR 73 1HG2 THR 73 -6.587 -8.686 -13.343 552 2HG2 THR 73 2HG2 THR 73 -5.177 -7.767 -13.869 553 3HG2 THR 73 3HG2 THR 73 -5.833 -7.525 -12.249 554 H GLU 74 H GLU 74 -4.753 -11.398 -10.816 555 HA GLU 74 HA GLU 74 -7.466 -12.278 -10.354 556 1HB GLU 74 2HB GLU 74 -6.696 -14.734 -9.975 557 2HB GLU 74 1HB GLU 74 -7.023 -14.211 -11.628 558 1HG GLU 74 2HG GLU 74 -4.587 -13.702 -11.897 559 2HG GLU 74 1HG GLU 74 -4.307 -14.384 -10.294 560 H ASP 75 H ASP 75 -7.799 -12.478 -8.137 561 HA ASP 75 HA ASP 75 -5.341 -12.312 -6.440 562 1HB ASP 75 2HB ASP 75 -8.101 -11.219 -5.820 563 2HB ASP 75 1HB ASP 75 -6.643 -10.998 -4.852 564 H GLU 76 H GLU 76 -8.798 -13.107 -5.946 565 HA GLU 76 HA GLU 76 -8.415 -14.876 -3.794 566 1HB GLU 76 2HB GLU 76 -10.533 -15.255 -5.918 567 2HB GLU 76 1HB GLU 76 -10.634 -15.658 -4.203 568 1HG GLU 76 2HG GLU 76 -10.039 -13.005 -4.055 569 2HG GLU 76 1HG GLU 76 -10.977 -13.044 -5.549 570 H ASP 77 H ASP 77 -8.646 -15.695 -7.268 571 HA ASP 77 HA ASP 77 -6.632 -17.649 -7.279 572 1HB ASP 77 2HB ASP 77 -9.115 -18.555 -6.014 573 2HB ASP 77 1HB ASP 77 -8.639 -19.568 -7.378 574 H GLY 78 H GLY 78 -9.440 -16.197 -8.553 575 1HA GLY 78 2HA GLY 78 -8.620 -16.821 -11.271 576 2HA GLY 78 1HA GLY 78 -10.102 -17.663 -10.819 577 H ASN 79 H ASN 79 -9.515 -14.587 -9.336 578 HA ASN 79 HA ASN 79 -11.945 -13.493 -10.451 579 1HB ASN 79 2HB ASN 79 -9.962 -12.726 -8.465 580 2HB ASN 79 1HB ASN 79 -10.425 -11.349 -9.468 581 1HD2 ASN 79 1HD2 ASN 79 -12.686 -10.662 -9.417 582 2HD2 ASN 79 2HD2 ASN 79 -13.751 -11.211 -8.214 583 H LYS 80 H LYS 80 -11.620 -13.601 -12.742 584 HA LYS 80 HA LYS 80 -9.384 -12.532 -14.131 585 1HB LYS 80 2HB LYS 80 -12.278 -12.664 -15.030 586 2HB LYS 80 1HB LYS 80 -10.884 -12.448 -16.089 587 1HG LYS 80 2HG LYS 80 -10.438 -14.723 -14.377 588 2HG LYS 80 1HG LYS 80 -11.996 -14.895 -15.184 589 1HD LYS 80 2HD LYS 80 -10.790 -14.278 -17.351 590 2HD LYS 80 1HD LYS 80 -9.283 -14.500 -16.461 591 1HE LYS 80 2HE LYS 80 -10.478 -16.794 -15.770 592 2HE LYS 80 1HE LYS 80 -11.301 -16.528 -17.307 593 1HZ LYS 80 1HZ LYS 80 -8.626 -15.967 -17.737 594 2HZ LYS 80 2HZ LYS 80 -9.504 -17.306 -18.308 595 3HZ LYS 80 3HZ LYS 80 -8.656 -17.406 -16.839 596 H LEU 81 H LEU 81 -8.752 -10.497 -13.360 597 HA LEU 81 HA LEU 81 -10.755 -8.297 -13.688 598 1HB LEU 81 2HB LEU 81 -8.263 -8.340 -11.956 599 2HB LEU 81 1HB LEU 81 -9.442 -7.031 -12.047 600 HG LEU 81 HG LEU 81 -10.431 -9.776 -11.392 601 1HD1 LEU 81 1HD1 LEU 81 -8.747 -9.803 -9.783 602 2HD1 LEU 81 2HD1 LEU 81 -10.029 -8.960 -8.912 603 3HD1 LEU 81 3HD1 LEU 81 -8.711 -8.044 -9.645 604 1HD2 LEU 81 1HD2 LEU 81 -12.107 -8.538 -10.189 605 2HD2 LEU 81 2HD2 LEU 81 -11.886 -7.718 -11.734 606 3HD2 LEU 81 3HD2 LEU 81 -11.155 -7.055 -10.272 607 H LEU 82 H LEU 82 -9.765 -6.203 -14.431 608 HA LEU 82 HA LEU 82 -7.503 -6.733 -16.319 609 1HB LEU 82 2HB LEU 82 -9.795 -4.755 -16.558 610 2HB LEU 82 1HB LEU 82 -8.471 -4.917 -17.714 611 HG LEU 82 HG LEU 82 -9.248 -7.487 -17.624 612 1HD1 LEU 82 1HD1 LEU 82 -11.032 -7.133 -16.006 613 2HD1 LEU 82 2HD1 LEU 82 -11.750 -7.526 -17.567 614 3HD1 LEU 82 3HD1 LEU 82 -11.728 -5.856 -17.003 615 1HD2 LEU 82 1HD2 LEU 82 -9.097 -5.958 -19.615 616 2HD2 LEU 82 2HD2 LEU 82 -10.719 -5.379 -19.236 617 3HD2 LEU 82 3HD2 LEU 82 -10.468 -7.065 -19.685 618 H CYS 83 H CYS 83 -5.734 -5.357 -16.188 619 HA CYS 83 HA CYS 83 -6.001 -2.989 -14.388 620 1HB CYS 83 2HB CYS 83 -3.631 -3.557 -13.612 621 2HB CYS 83 1HB CYS 83 -4.916 -4.609 -13.018 622 HG CYS 83 HG CYS 83 -2.607 -5.534 -14.674 623 H PHE 84 H PHE 84 -5.774 -1.343 -15.860 624 HA PHE 84 HA PHE 84 -3.674 -1.580 -17.950 625 1HB PHE 84 2HB PHE 84 -4.681 0.546 -18.817 626 2HB PHE 84 1HB PHE 84 -5.836 -0.783 -18.738 627 HD1 PHE 84 HD1 PHE 84 -5.085 2.563 -17.657 628 HD2 PHE 84 HD2 PHE 84 -7.326 -0.961 -16.654 629 HE1 PHE 84 HE1 PHE 84 -6.548 3.914 -16.180 630 HE2 PHE 84 HE2 PHE 84 -8.788 0.389 -15.176 631 HZ PHE 84 HZ PHE 84 -8.399 2.827 -14.939 632 H ASP 85 H ASP 85 -2.140 0.242 -18.206 633 HA ASP 85 HA ASP 85 -1.525 1.485 -15.556 634 1HB ASP 85 2HB ASP 85 0.085 -0.094 -17.211 635 2HB ASP 85 1HB ASP 85 0.652 1.553 -17.488 636 H ALA 86 H ALA 86 -0.230 3.620 -15.861 637 HA ALA 86 HA ALA 86 -1.008 5.129 -18.279 638 1HB ALA 86 1HB ALA 86 -1.665 6.509 -15.733 639 2HB ALA 86 2HB ALA 86 -2.752 5.202 -16.204 640 3HB ALA 86 3HB ALA 86 -2.491 6.567 -17.290 641 H THR 87 H THR 87 0.820 6.204 -18.846 642 HA THR 87 HA THR 87 2.775 6.884 -16.704 643 HB THR 87 HB THR 87 3.785 7.478 -19.314 644 HG1 THR 87 HG1 THR 87 3.222 5.803 -20.465 645 1HG2 THR 87 1HG2 THR 87 5.237 6.835 -17.531 646 2HG2 THR 87 2HG2 THR 87 5.297 5.518 -18.703 647 3HG2 THR 87 3HG2 THR 87 4.330 5.351 -17.237 648 H MET 88 H MET 88 3.570 9.017 -16.500 649 HA MET 88 HA MET 88 2.377 11.124 -18.200 650 1HB MET 88 2HB MET 88 0.720 11.083 -16.497 651 2HB MET 88 1HB MET 88 1.918 10.840 -15.226 652 1HG MET 88 2HG MET 88 2.804 13.094 -15.586 653 2HG MET 88 1HG MET 88 1.686 13.342 -16.926 654 1HE MET 88 1HE MET 88 -0.218 15.069 -16.351 655 2HE MET 88 2HE MET 88 -1.558 14.215 -15.590 656 3HE MET 88 3HE MET 88 -0.647 13.437 -16.882 657 H GLN 89 H GLN 89 3.561 13.136 -18.033 658 HA GLN 89 HA GLN 89 6.287 12.754 -16.871 659 1HB GLN 89 2HB GLN 89 5.222 14.223 -19.255 660 2HB GLN 89 1HB GLN 89 6.653 14.869 -18.450 661 1HG GLN 89 2HG GLN 89 6.365 12.010 -19.416 662 2HG GLN 89 1HG GLN 89 7.229 13.279 -20.283 663 1HE2 GLN 89 1HE2 GLN 89 8.764 11.112 -19.565 664 2HE2 GLN 89 2HE2 GLN 89 9.772 11.491 -18.253 665 H SER 90 H SER 90 6.916 14.092 -15.223 666 HA SER 90 HA SER 90 5.829 16.759 -14.877 667 1HB SER 90 2HB SER 90 4.691 16.335 -12.724 668 2HB SER 90 1HB SER 90 3.918 15.449 -14.036 669 HG SER 90 HG SER 90 5.098 14.521 -11.799 670 H ALA 91 H ALA 91 7.020 17.929 -13.296 671 HA ALA 91 HA ALA 91 9.677 17.041 -12.801 672 1HB ALA 91 1HB ALA 91 8.349 19.431 -12.552 673 2HB ALA 91 2HB ALA 91 9.980 19.130 -11.951 674 3HB ALA 91 3HB ALA 91 8.599 18.988 -10.862 675 H LEU 92 H LEU 92 10.665 16.394 -10.779 676 HA LEU 92 HA LEU 92 8.979 14.583 -9.229 677 1HB LEU 92 2HB LEU 92 11.490 14.303 -9.873 678 2HB LEU 92 1HB LEU 92 11.797 15.347 -8.484 679 HG LEU 92 HG LEU 92 10.483 13.788 -7.056 680 1HD1 LEU 92 1HD1 LEU 92 10.354 11.427 -8.404 681 2HD1 LEU 92 2HD1 LEU 92 10.013 12.560 -9.711 682 3HD1 LEU 92 3HD1 LEU 92 8.998 12.547 -8.268 683 1HD2 LEU 92 1HD2 LEU 92 12.802 12.642 -8.638 684 2HD2 LEU 92 2HD2 LEU 92 12.144 11.873 -7.193 685 3HD2 LEU 92 3HD2 LEU 92 12.873 13.476 -7.085 686 H ASP 93 H ASP 93 7.488 16.014 -8.183 687 HA ASP 93 HA ASP 93 8.661 17.374 -5.817 688 1HB ASP 93 2HB ASP 93 7.374 18.690 -8.096 689 2HB ASP 93 1HB ASP 93 6.604 19.084 -6.559 690 H ALA 94 H ALA 94 7.613 16.518 -4.094 691 HA ALA 94 HA ALA 94 5.387 14.840 -4.147 692 1HB ALA 94 1HB ALA 94 6.934 16.143 -2.139 693 2HB ALA 94 2HB ALA 94 5.857 14.760 -1.950 694 3HB ALA 94 3HB ALA 94 5.234 16.397 -1.744 695 H LYS 95 H LYS 95 5.357 18.370 -3.538 696 HA LYS 95 HA LYS 95 2.612 18.755 -3.206 697 1HB LYS 95 2HB LYS 95 4.461 20.534 -4.827 698 2HB LYS 95 1HB LYS 95 2.946 21.022 -4.067 699 1HG LYS 95 2HG LYS 95 4.247 19.929 -1.936 700 2HG LYS 95 1HG LYS 95 5.607 20.579 -2.853 701 1HD LYS 95 2HD LYS 95 4.902 22.357 -1.431 702 2HD LYS 95 1HD LYS 95 4.260 22.750 -3.027 703 1HE LYS 95 2HE LYS 95 2.376 21.079 -1.635 704 2HE LYS 95 1HE LYS 95 2.809 22.447 -0.610 705 1HZ LYS 95 1HZ LYS 95 2.485 23.368 -3.235 706 2HZ LYS 95 2HZ LYS 95 1.553 23.745 -1.864 707 3HZ LYS 95 3HZ LYS 95 1.130 22.425 -2.846 708 H LEU 96 H LEU 96 4.409 18.511 -6.280 709 HA LEU 96 HA LEU 96 2.093 18.880 -7.952 710 1HB LEU 96 2HB LEU 96 4.897 18.432 -8.307 711 2HB LEU 96 1HB LEU 96 4.028 17.244 -9.278 712 HG LEU 96 HG LEU 96 3.267 20.166 -9.307 713 1HD1 LEU 96 1HD1 LEU 96 4.601 19.989 -11.590 714 2HD1 LEU 96 2HD1 LEU 96 5.494 18.741 -10.720 715 3HD1 LEU 96 3HD1 LEU 96 5.443 20.388 -10.091 716 1HD2 LEU 96 1HD2 LEU 96 2.805 17.770 -11.100 717 2HD2 LEU 96 2HD2 LEU 96 2.471 19.422 -11.618 718 3HD2 LEU 96 3HD2 LEU 96 1.596 18.732 -10.251 719 H ILE 97 H ILE 97 3.790 15.965 -6.785 720 HA ILE 97 HA ILE 97 2.206 14.042 -8.136 721 HB ILE 97 HB ILE 97 3.607 13.937 -5.454 722 1HG1 ILE 97 2HG1 ILE 97 4.373 12.422 -7.930 723 2HG1 ILE 97 1HG1 ILE 97 4.773 14.136 -7.821 724 1HG2 ILE 97 1HG2 ILE 97 3.375 11.361 -6.048 725 2HG2 ILE 97 2HG2 ILE 97 1.938 11.916 -6.906 726 3HG2 ILE 97 3HG2 ILE 97 2.095 12.200 -5.172 727 1HD1 ILE 97 1HD1 ILE 97 6.399 13.771 -6.287 728 2HD1 ILE 97 2HD1 ILE 97 6.293 12.079 -6.774 729 3HD1 ILE 97 3HD1 ILE 97 5.394 12.651 -5.369 730 H ASP 98 H ASP 98 1.544 15.952 -5.267 731 HA ASP 98 HA ASP 98 -0.729 14.379 -4.397 732 1HB ASP 98 2HB ASP 98 0.385 15.822 -2.800 733 2HB ASP 98 1HB ASP 98 0.103 17.236 -3.817 734 H GLU 99 H GLU 99 -0.397 17.423 -6.240 735 HA GLU 99 HA GLU 99 -3.194 17.829 -6.653 736 1HB GLU 99 2HB GLU 99 -0.839 18.647 -8.384 737 2HB GLU 99 1HB GLU 99 -2.480 19.274 -8.548 738 1HG GLU 99 2HG GLU 99 -1.820 19.530 -5.811 739 2HG GLU 99 1HG GLU 99 -0.410 20.091 -6.707 740 H GLN 100 H GLN 100 -0.745 16.163 -8.653 741 HA GLN 100 HA GLN 100 -2.515 15.464 -10.782 742 1HB GLN 100 2HB GLN 100 0.192 14.855 -9.989 743 2HB GLN 100 1HB GLN 100 -0.622 13.374 -10.495 744 1HG GLN 100 2HG GLN 100 0.420 14.470 -12.431 745 2HG GLN 100 1HG GLN 100 -1.338 14.497 -12.587 746 1HE2 GLN 100 1HE2 GLN 100 -0.862 16.432 -14.062 747 2HE2 GLN 100 2HE2 GLN 100 -0.668 17.953 -13.336 748 H VAL 101 H VAL 101 -1.363 13.396 -8.080 749 HA VAL 101 HA VAL 101 -3.061 11.207 -8.538 750 HB VAL 101 HB VAL 101 -2.209 12.356 -5.861 751 1HG1 VAL 101 1HG1 VAL 101 -2.672 10.165 -4.959 752 2HG1 VAL 101 2HG1 VAL 101 -3.025 9.524 -6.563 753 3HG1 VAL 101 3HG1 VAL 101 -4.115 10.696 -5.824 754 1HG2 VAL 101 1HG2 VAL 101 -0.205 11.255 -6.115 755 2HG2 VAL 101 2HG2 VAL 101 -0.546 11.539 -7.822 756 3HG2 VAL 101 3HG2 VAL 101 -0.915 9.974 -7.099 757 H GLU 102 H GLU 102 -3.743 14.250 -6.846 758 HA GLU 102 HA GLU 102 -6.279 13.634 -5.784 759 1HB GLU 102 2HB GLU 102 -4.997 15.782 -5.443 760 2HB GLU 102 1HB GLU 102 -5.512 16.277 -7.057 761 1HG GLU 102 2HG GLU 102 -7.828 16.235 -6.421 762 2HG GLU 102 1HG GLU 102 -7.454 15.449 -4.888 763 H LYS 103 H LYS 103 -5.432 14.787 -9.053 764 HA LYS 103 HA LYS 103 -8.128 14.907 -10.021 765 1HB LYS 103 2HB LYS 103 -5.567 14.390 -11.565 766 2HB LYS 103 1HB LYS 103 -7.106 14.895 -12.263 767 1HG LYS 103 2HG LYS 103 -6.976 16.904 -10.656 768 2HG LYS 103 1HG LYS 103 -5.285 16.458 -10.429 769 1HD LYS 103 2HD LYS 103 -4.860 16.676 -12.819 770 2HD LYS 103 1HD LYS 103 -6.569 16.997 -13.122 771 1HE LYS 103 2HE LYS 103 -6.239 19.185 -12.725 772 2HE LYS 103 1HE LYS 103 -5.665 18.811 -11.100 773 1HZ LYS 103 1HZ LYS 103 -3.463 18.399 -12.025 774 2HZ LYS 103 2HZ LYS 103 -3.983 19.982 -12.359 775 3HZ LYS 103 3HZ LYS 103 -4.023 18.795 -13.575 776 H LEU 104 H LEU 104 -5.666 12.327 -10.124 777 HA LEU 104 HA LEU 104 -7.238 10.455 -11.606 778 1HB LEU 104 2HB LEU 104 -5.013 10.066 -9.587 779 2HB LEU 104 1HB LEU 104 -5.729 8.738 -10.499 780 HG LEU 104 HG LEU 104 -4.389 11.183 -11.694 781 1HD1 LEU 104 1HD1 LEU 104 -3.060 9.190 -10.553 782 2HD1 LEU 104 2HD1 LEU 104 -2.524 9.861 -12.094 783 3HD1 LEU 104 3HD1 LEU 104 -3.452 8.361 -12.060 784 1HD2 LEU 104 1HD2 LEU 104 -4.612 9.477 -13.742 785 2HD2 LEU 104 2HD2 LEU 104 -5.903 10.610 -13.345 786 3HD2 LEU 104 3HD2 LEU 104 -6.008 8.932 -12.813 787 H VAL 105 H VAL 105 -7.231 11.389 -8.232 788 HA VAL 105 HA VAL 105 -8.768 9.102 -7.309 789 HB VAL 105 HB VAL 105 -8.034 11.782 -6.145 790 1HG1 VAL 105 1HG1 VAL 105 -9.202 10.831 -4.033 791 2HG1 VAL 105 2HG1 VAL 105 -10.094 9.810 -5.161 792 3HG1 VAL 105 3HG1 VAL 105 -10.218 11.566 -5.274 793 1HG2 VAL 105 1HG2 VAL 105 -6.588 10.556 -4.824 794 2HG2 VAL 105 2HG2 VAL 105 -6.650 9.492 -6.230 795 3HG2 VAL 105 3HG2 VAL 105 -7.636 9.138 -4.810 796 H ASN 106 H ASN 106 -9.588 12.510 -8.033 797 HA ASN 106 HA ASN 106 -12.383 12.264 -7.525 798 1HB ASN 106 2HB ASN 106 -10.714 14.128 -9.200 799 2HB ASN 106 1HB ASN 106 -12.475 14.222 -9.257 800 1HD2 ASN 106 1HD2 ASN 106 -9.816 14.095 -6.813 801 2HD2 ASN 106 2HD2 ASN 106 -10.581 15.140 -5.716 802 H LEU 107 H LEU 107 -10.615 12.084 -10.638 803 HA LEU 107 HA LEU 107 -12.880 11.405 -12.226 804 1HB LEU 107 2HB LEU 107 -10.869 12.091 -13.336 805 2HB LEU 107 1HB LEU 107 -9.929 10.814 -12.562 806 HG LEU 107 HG LEU 107 -12.239 9.769 -14.017 807 1HD1 LEU 107 1HD1 LEU 107 -10.096 11.291 -15.530 808 2HD1 LEU 107 2HD1 LEU 107 -11.820 11.666 -15.498 809 3HD1 LEU 107 3HD1 LEU 107 -11.254 10.185 -16.271 810 1HD2 LEU 107 1HD2 LEU 107 -10.147 8.584 -13.091 811 2HD2 LEU 107 2HD2 LEU 107 -9.297 9.255 -14.482 812 3HD2 LEU 107 3HD2 LEU 107 -10.647 8.147 -14.725 813 H ALA 108 H ALA 108 -10.338 9.208 -10.962 814 HA ALA 108 HA ALA 108 -11.305 6.752 -11.689 815 1HB ALA 108 1HB ALA 108 -10.204 7.639 -9.018 816 2HB ALA 108 2HB ALA 108 -9.365 6.787 -10.314 817 3HB ALA 108 3HB ALA 108 -10.586 5.951 -9.353 818 H GLU 109 H GLU 109 -12.421 8.476 -8.754 819 HA GLU 109 HA GLU 109 -14.551 6.630 -8.209 820 1HB GLU 109 2HB GLU 109 -14.127 9.518 -7.400 821 2HB GLU 109 1HB GLU 109 -15.440 8.517 -6.782 822 1HG GLU 109 2HG GLU 109 -12.573 7.592 -6.624 823 2HG GLU 109 1HG GLU 109 -13.263 8.639 -5.383 824 H LYS 110 H LYS 110 -14.327 9.537 -10.193 825 HA LYS 110 HA LYS 110 -17.029 10.132 -10.614 826 1HB LYS 110 2HB LYS 110 -15.072 11.372 -11.595 827 2HB LYS 110 1HB LYS 110 -14.912 10.077 -12.782 828 1HG LYS 110 2HG LYS 110 -16.368 11.274 -14.037 829 2HG LYS 110 1HG LYS 110 -17.603 10.692 -12.921 830 1HD LYS 110 2HD LYS 110 -16.800 12.738 -11.454 831 2HD LYS 110 1HD LYS 110 -16.230 13.357 -13.005 832 1HE LYS 110 2HE LYS 110 -19.062 12.449 -12.407 833 2HE LYS 110 1HE LYS 110 -18.531 14.125 -12.542 834 1HZ LYS 110 1HZ LYS 110 -17.843 13.671 -14.823 835 2HZ LYS 110 2HZ LYS 110 -19.501 13.367 -14.607 836 3HZ LYS 110 3HZ LYS 110 -18.400 12.075 -14.687 837 H PHE 111 H PHE 111 -15.097 7.516 -12.022 838 HA PHE 111 HA PHE 111 -17.484 6.587 -13.533 839 1HB PHE 111 2HB PHE 111 -14.567 5.784 -13.579 840 2HB PHE 111 1HB PHE 111 -15.815 4.880 -14.437 841 HD1 PHE 111 HD1 PHE 111 -17.308 6.157 -16.091 842 HD2 PHE 111 HD2 PHE 111 -13.639 7.743 -14.517 843 HE1 PHE 111 HE1 PHE 111 -17.215 7.793 -17.953 844 HE2 PHE 111 HE2 PHE 111 -13.547 9.379 -16.379 845 HZ PHE 111 HZ PHE 111 -15.336 9.403 -18.096 846 H ASP 112 H ASP 112 -14.946 4.688 -11.911 847 HA ASP 112 HA ASP 112 -16.334 3.725 -9.698 848 1HB ASP 112 2HB ASP 112 -17.428 2.711 -12.218 849 2HB ASP 112 1HB ASP 112 -16.939 1.418 -11.122 850 H ILE 113 H ILE 113 -13.639 4.079 -10.876 851 HA ILE 113 HA ILE 113 -12.586 1.298 -10.575 852 HB ILE 113 HB ILE 113 -10.521 2.245 -11.686 853 1HG1 ILE 113 2HG1 ILE 113 -12.348 4.579 -12.320 854 2HG1 ILE 113 1HG1 ILE 113 -11.110 4.634 -11.064 855 1HG2 ILE 113 1HG2 ILE 113 -11.371 1.802 -13.788 856 2HG2 ILE 113 2HG2 ILE 113 -12.819 2.772 -13.522 857 3HG2 ILE 113 3HG2 ILE 113 -12.688 1.166 -12.806 858 1HD1 ILE 113 1HD1 ILE 113 -9.751 3.613 -13.263 859 2HD1 ILE 113 2HD1 ILE 113 -9.683 5.280 -12.694 860 3HD1 ILE 113 3HD1 ILE 113 -10.816 4.830 -13.967 861 H ILE 114 H ILE 114 -11.153 0.888 -8.914 862 HA ILE 114 HA ILE 114 -10.830 2.987 -6.882 863 HB ILE 114 HB ILE 114 -11.226 0.961 -5.825 864 1HG1 ILE 114 2HG1 ILE 114 -9.149 0.143 -4.841 865 2HG1 ILE 114 1HG1 ILE 114 -8.208 0.838 -6.157 866 1HG2 ILE 114 1HG2 ILE 114 -9.765 -1.102 -6.777 867 2HG2 ILE 114 2HG2 ILE 114 -9.902 -0.138 -8.248 868 3HG2 ILE 114 3HG2 ILE 114 -11.356 -0.684 -7.412 869 1HD1 ILE 114 1HD1 ILE 114 -9.951 2.809 -4.887 870 2HD1 ILE 114 2HD1 ILE 114 -8.219 2.887 -5.201 871 3HD1 ILE 114 3HD1 ILE 114 -8.817 2.090 -3.747 872 H TYR 115 H TYR 115 -9.056 4.277 -6.759 873 HA TYR 115 HA TYR 115 -6.743 3.648 -8.505 874 1HB TYR 115 2HB TYR 115 -7.342 5.886 -8.818 875 2HB TYR 115 1HB TYR 115 -7.743 6.119 -7.117 876 HD1 TYR 115 HD1 TYR 115 -6.093 6.806 -5.534 877 HD2 TYR 115 HD2 TYR 115 -4.927 5.644 -9.501 878 HE1 TYR 115 HE1 TYR 115 -3.803 7.656 -5.109 879 HE2 TYR 115 HE2 TYR 115 -2.636 6.494 -9.076 880 HH TYR 115 HH TYR 115 -1.742 8.493 -7.185 881 H ASP 116 H ASP 116 -5.203 2.405 -7.542 882 HA ASP 116 HA ASP 116 -4.055 3.297 -4.991 883 1HB ASP 116 2HB ASP 116 -5.772 1.890 -4.081 884 2HB ASP 116 1HB ASP 116 -5.464 0.634 -5.280 885 H GLY 117 H GLY 117 -2.229 3.597 -6.463 886 1HA GLY 117 2HA GLY 117 -0.215 1.733 -6.390 887 2HA GLY 117 1HA GLY 117 -1.119 1.260 -7.828 888 H TRP 118 H TRP 118 0.947 3.717 -6.432 889 HA TRP 118 HA TRP 118 1.325 4.813 -9.178 890 1HB TRP 118 2HB TRP 118 0.987 7.001 -8.546 891 2HB TRP 118 1HB TRP 118 -0.087 6.230 -7.380 892 HD1 TRP 118 HD1 TRP 118 0.565 6.314 -4.865 893 HE1 TRP 118 HE1 TRP 118 2.443 7.494 -3.550 894 HE3 TRP 118 HE3 TRP 118 3.566 7.775 -8.730 895 HZ2 TRP 118 HZ2 TRP 118 4.894 8.877 -4.070 896 HZ3 TRP 118 HZ3 TRP 118 5.664 9.019 -8.293 897 HH2 TRP 118 HH2 TRP 118 6.332 9.572 -5.970 898 H GLY 119 H GLY 119 3.409 4.309 -9.663 899 1HA GLY 119 2HA GLY 119 5.464 4.759 -7.537 900 2HA GLY 119 1HA GLY 119 5.525 3.335 -8.577 901 H THR 120 H THR 120 7.644 5.210 -8.452 902 HA THR 120 HA THR 120 7.418 6.555 -11.114 903 HB THR 120 HB THR 120 7.889 8.294 -9.628 904 HG1 THR 120 HG1 THR 120 9.540 8.104 -11.220 905 1HG2 THR 120 1HG2 THR 120 9.627 6.311 -8.137 906 2HG2 THR 120 2HG2 THR 120 8.083 6.976 -7.603 907 3HG2 THR 120 3HG2 THR 120 9.499 8.020 -7.722 908 H TYR 121 H TYR 121 9.526 6.612 -12.337 909 HA TYR 121 HA TYR 121 11.301 4.308 -11.694 910 1HB TYR 121 2HB TYR 121 9.355 4.134 -13.638 911 2HB TYR 121 1HB TYR 121 10.761 4.658 -14.565 912 HD1 TYR 121 HD1 TYR 121 11.893 2.884 -15.549 913 HD2 TYR 121 HD2 TYR 121 10.219 2.376 -11.626 914 HE1 TYR 121 HE1 TYR 121 12.815 0.584 -15.454 915 HE2 TYR 121 HE2 TYR 121 11.141 0.075 -11.531 916 HH TYR 121 HH TYR 121 13.374 -1.068 -12.944 917 H TYR 122 H TYR 122 13.392 4.985 -11.767 918 HA TYR 122 HA TYR 122 14.345 7.508 -12.196 919 1HB TYR 122 2HB TYR 122 15.563 4.825 -12.746 920 2HB TYR 122 1HB TYR 122 16.440 6.270 -13.249 921 HD1 TYR 122 HD1 TYR 122 16.228 8.245 -11.331 922 HD2 TYR 122 HD2 TYR 122 16.178 4.002 -10.660 923 HE1 TYR 122 HE1 TYR 122 16.977 8.606 -8.994 924 HE2 TYR 122 HE2 TYR 122 16.929 4.364 -8.324 925 HH TYR 122 HH TYR 122 18.257 7.174 -7.235 926 H GLU 123 H GLU 123 15.015 8.775 -13.977 927 HA GLU 123 HA GLU 123 13.639 8.133 -16.499 928 1HB GLU 123 2HB GLU 123 15.411 10.507 -16.351 929 2HB GLU 123 1HB GLU 123 13.754 10.373 -16.943 930 1HG GLU 123 2HG GLU 123 13.436 11.605 -14.991 931 2HG GLU 123 1HG GLU 123 13.192 9.960 -14.402 932 H GLY 124 H GLY 124 15.319 6.185 -16.500 933 1HA GLY 124 2HA GLY 124 16.843 5.997 -18.655 934 2HA GLY 124 1HA GLY 124 17.897 7.044 -17.703 935 H LEU 125 H LEU 125 18.338 4.245 -18.611 936 HA LEU 125 HA LEU 125 19.085 3.151 -15.958 937 1HB LEU 125 2HB LEU 125 16.837 2.204 -17.272 938 2HB LEU 125 1HB LEU 125 18.093 1.073 -17.775 939 HG LEU 125 HG LEU 125 18.740 1.004 -15.263 940 1HD1 LEU 125 1HD1 LEU 125 15.917 1.529 -14.607 941 2HD1 LEU 125 2HD1 LEU 125 16.819 2.965 -15.092 942 3HD1 LEU 125 3HD1 LEU 125 17.380 1.989 -13.734 943 1HD2 LEU 125 1HD2 LEU 125 16.772 -0.623 -14.843 944 2HD2 LEU 125 2HD2 LEU 125 17.817 -0.959 -16.223 945 3HD2 LEU 125 3HD2 LEU 125 16.246 -0.199 -16.472 946 H GLU 126 H GLU 126 21.257 3.630 -16.585 947 HA GLU 126 HA GLU 126 22.313 1.806 -18.705 948 1HB GLU 126 2HB GLU 126 24.055 3.605 -19.129 949 2HB GLU 126 1HB GLU 126 22.419 4.022 -19.640 950 1HG GLU 126 2HG GLU 126 22.463 4.864 -17.005 951 2HG GLU 126 1HG GLU 126 24.091 5.249 -17.565 952 H HIS 127 H HIS 127 24.905 1.825 -18.366 953 HA HIS 127 HA HIS 127 25.345 1.387 -15.437 954 1HB HIS 127 2HB HIS 127 25.306 -0.701 -16.848 955 2HB HIS 127 1HB HIS 127 26.704 -0.074 -17.721 956 HD2 HIS 127 HD2 HIS 127 26.924 -2.768 -15.663 957 HE1 HIS 127 HE1 HIS 127 29.245 -0.133 -13.313 958 HE2 HIS 127 HE2 HIS 127 28.660 -2.568 -13.726 959 H HIS 128 H HIS 128 25.805 3.906 -16.620 960 HA HIS 128 HA HIS 128 28.743 4.088 -16.260 961 1HB HIS 128 2HB HIS 128 27.557 4.207 -18.806 962 2HB HIS 128 1HB HIS 128 27.876 5.886 -18.372 963 HD2 HIS 128 HD2 HIS 128 30.756 5.689 -16.925 964 HE1 HIS 128 HE1 HIS 128 32.017 3.441 -20.271 965 HE2 HIS 128 HE2 HIS 128 32.801 4.783 -18.267 966 H HIS 129 H HIS 129 29.330 5.963 -15.180 967 HA HIS 129 HA HIS 129 27.231 8.055 -14.835 968 1HB HIS 129 2HB HIS 129 27.898 8.222 -12.430 969 2HB HIS 129 1HB HIS 129 27.160 6.670 -12.828 970 HD2 HIS 129 HD2 HIS 129 29.388 4.682 -13.562 971 HE1 HIS 129 HE1 HIS 129 31.932 6.427 -10.678 972 HE2 HIS 129 HE2 HIS 129 31.566 4.399 -12.156 973 H HIS 130 H HIS 130 28.817 8.902 -16.589 974 HA HIS 130 HA HIS 130 31.366 9.906 -15.480 975 1HB HIS 130 2HB HIS 130 31.319 9.030 -17.792 976 2HB HIS 130 1HB HIS 130 30.132 10.261 -18.229 977 HD2 HIS 130 HD2 HIS 130 32.904 11.616 -15.911 978 HE1 HIS 130 HE1 HIS 130 33.949 12.761 -19.839 979 HE2 HIS 130 HE2 HIS 130 34.484 13.081 -17.381 980 H HIS 131 H HIS 131 29.562 11.071 -13.958 981 HA HIS 131 HA HIS 131 29.640 13.886 -14.805 982 1HB HIS 131 2HB HIS 131 27.399 12.580 -15.534 983 2HB HIS 131 1HB HIS 131 26.952 12.996 -13.879 984 HD2 HIS 131 HD2 HIS 131 25.299 15.191 -14.453 985 HE1 HIS 131 HE1 HIS 131 28.150 17.427 -16.623 986 HE2 HIS 131 HE2 HIS 131 25.831 17.474 -15.596 987 H HIS 132 HN HIS 132 31.036 12.686 -12.740 988 HA HIS 132 HA HIS 132 31.284 12.627 -10.385 989 1HB HIS 132 2HB HIS 132 31.410 15.109 -11.226 990 2HB HIS 132 1HB HIS 132 29.854 15.275 -10.413 991 HD2 HIS 132 HD2 HIS 132 33.421 13.846 -9.298 992 HE1 HIS 132 HE1 HIS 132 31.609 15.819 -6.033 993 HE2 HIS 132 HE2 HIS 132 33.678 14.573 -6.806 Start of MODEL 4 1 1H MET 1 1H MET 1 -20.399 8.290 -3.416 2 2H MET 1 2H MET 1 -19.922 7.860 -1.843 3 3H MET 1 3H MET 1 -21.233 8.914 -2.079 4 HA MET 1 HA MET 1 -21.447 6.259 -1.663 5 1HB MET 1 2HB MET 1 -23.213 8.337 -2.938 6 2HB MET 1 1HB MET 1 -23.774 6.670 -2.796 7 1HG MET 1 2HG MET 1 -24.517 7.844 -0.826 8 2HG MET 1 1HG MET 1 -23.198 6.780 -0.336 9 1HE MET 1 1HE MET 1 -24.021 10.537 -1.491 10 2HE MET 1 2HE MET 1 -23.604 11.192 0.091 11 3HE MET 1 3HE MET 1 -24.777 9.882 -0.031 12 H SER 2 H SER 2 -19.850 5.244 -3.140 13 HA SER 2 HA SER 2 -20.265 5.263 -5.998 14 1HB SER 2 2HB SER 2 -18.855 3.039 -5.722 15 2HB SER 2 1HB SER 2 -18.104 4.610 -5.457 16 HG SER 2 HG SER 2 -19.360 3.696 -3.234 17 H HIS 3 H HIS 3 -20.580 2.443 -3.815 18 HA HIS 3 HA HIS 3 -23.259 1.863 -4.867 19 1HB HIS 3 2HB HIS 3 -22.500 -0.456 -5.622 20 2HB HIS 3 1HB HIS 3 -22.017 0.883 -6.664 21 HD2 HIS 3 HD2 HIS 3 -20.093 -1.847 -6.501 22 HE1 HIS 3 HE1 HIS 3 -17.474 0.652 -4.325 23 HE2 HIS 3 HE2 HIS 3 -17.657 -1.516 -5.628 24 H GLN 4 H GLN 4 -23.668 -0.653 -4.031 25 HA GLN 4 HA GLN 4 -24.086 -1.897 -2.084 26 1HB GLN 4 2HB GLN 4 -21.266 -0.947 -1.489 27 2HB GLN 4 1HB GLN 4 -22.109 -2.206 -0.587 28 1HG GLN 4 2HG GLN 4 -22.461 -3.094 -3.141 29 2HG GLN 4 1HG GLN 4 -20.885 -2.313 -3.278 30 1HE2 GLN 4 1HE2 GLN 4 -20.795 -5.030 -3.556 31 2HE2 GLN 4 2HE2 GLN 4 -20.194 -5.775 -2.154 32 H ASP 5 H ASP 5 -21.962 0.318 -0.368 33 HA ASP 5 HA ASP 5 -23.738 2.295 0.492 34 1HB ASP 5 2HB ASP 5 -24.411 -0.310 1.569 35 2HB ASP 5 1HB ASP 5 -23.967 0.796 2.870 36 H ASP 6 H ASP 6 -21.144 0.087 1.275 37 HA ASP 6 HA ASP 6 -20.046 1.274 3.571 38 1HB ASP 6 2HB ASP 6 -18.458 0.254 1.196 39 2HB ASP 6 1HB ASP 6 -17.914 0.350 2.871 40 H TYR 7 H TYR 7 -19.566 3.388 3.892 41 HA TYR 7 HA TYR 7 -18.881 5.080 1.552 42 1HB TYR 7 2HB TYR 7 -20.561 6.036 2.981 43 2HB TYR 7 1HB TYR 7 -19.598 5.719 4.424 44 HD1 TYR 7 HD1 TYR 7 -18.124 7.353 5.240 45 HD2 TYR 7 HD2 TYR 7 -19.505 7.585 1.179 46 HE1 TYR 7 HE1 TYR 7 -17.019 9.560 4.990 47 HE2 TYR 7 HE2 TYR 7 -18.400 9.792 0.930 48 HH TYR 7 HH TYR 7 -16.481 11.196 3.582 49 H LEU 8 H LEU 8 -16.755 5.328 1.089 50 HA LEU 8 HA LEU 8 -14.755 4.855 3.232 51 1HB LEU 8 2HB LEU 8 -14.755 4.754 0.258 52 2HB LEU 8 1HB LEU 8 -13.255 5.272 1.026 53 HG LEU 8 HG LEU 8 -14.673 2.848 2.081 54 1HD1 LEU 8 1HD1 LEU 8 -12.897 2.966 -0.373 55 2HD1 LEU 8 2HD1 LEU 8 -14.564 2.394 -0.298 56 3HD1 LEU 8 3HD1 LEU 8 -13.282 1.479 0.494 57 1HD2 LEU 8 1HD2 LEU 8 -12.263 2.205 2.497 58 2HD2 LEU 8 2HD2 LEU 8 -12.781 3.663 3.345 59 3HD2 LEU 8 3HD2 LEU 8 -11.800 3.793 1.885 60 H SER 9 H SER 9 -13.210 6.448 3.793 61 HA SER 9 HA SER 9 -14.104 9.210 3.353 62 1HB SER 9 2HB SER 9 -11.887 7.963 4.987 63 2HB SER 9 1HB SER 9 -12.068 9.709 4.829 64 HG SER 9 HG SER 9 -13.188 8.457 6.632 65 H VAL 10 H VAL 10 -13.662 9.078 0.970 66 HA VAL 10 HA VAL 10 -11.307 8.614 -0.355 67 HB VAL 10 HB VAL 10 -11.887 10.780 -1.698 68 1HG1 VAL 10 1HG1 VAL 10 -13.636 8.351 -1.330 69 2HG1 VAL 10 2HG1 VAL 10 -12.518 8.714 -2.645 70 3HG1 VAL 10 3HG1 VAL 10 -14.044 9.588 -2.519 71 1HG2 VAL 10 1HG2 VAL 10 -13.431 11.231 0.577 72 2HG2 VAL 10 2HG2 VAL 10 -14.602 10.666 -0.615 73 3HG2 VAL 10 3HG2 VAL 10 -13.596 12.072 -0.964 74 H GLU 11 H GLU 11 -11.785 10.948 2.136 75 HA GLU 11 HA GLU 11 -9.537 12.655 1.425 76 1HB GLU 11 2HB GLU 11 -11.659 12.954 3.102 77 2HB GLU 11 1HB GLU 11 -10.395 12.533 4.258 78 1HG GLU 11 2HG GLU 11 -8.949 14.301 3.121 79 2HG GLU 11 1HG GLU 11 -10.411 14.827 2.287 80 H GLU 12 H GLU 12 -10.030 10.264 4.059 81 HA GLU 12 HA GLU 12 -7.464 10.241 5.123 82 1HB GLU 12 2HB GLU 12 -8.219 8.440 6.263 83 2HB GLU 12 1HB GLU 12 -9.718 8.630 5.359 84 1HG GLU 12 2HG GLU 12 -8.834 7.121 3.600 85 2HG GLU 12 1HG GLU 12 -7.357 6.906 4.541 86 H LEU 13 H LEU 13 -8.578 8.478 2.228 87 HA LEU 13 HA LEU 13 -6.169 7.111 1.650 88 1HB LEU 13 2HB LEU 13 -8.067 8.329 -0.378 89 2HB LEU 13 1HB LEU 13 -6.976 6.968 -0.639 90 HG LEU 13 HG LEU 13 -9.278 7.016 1.336 91 1HD1 LEU 13 1HD1 LEU 13 -9.418 6.738 -1.400 92 2HD1 LEU 13 2HD1 LEU 13 -10.584 6.068 -0.260 93 3HD1 LEU 13 3HD1 LEU 13 -9.267 5.064 -0.867 94 1HD2 LEU 13 1HD2 LEU 13 -8.716 4.490 1.315 95 2HD2 LEU 13 2HD2 LEU 13 -7.632 5.552 2.214 96 3HD2 LEU 13 3HD2 LEU 13 -7.171 4.974 0.612 97 H ILE 14 H ILE 14 -7.181 10.418 0.823 98 HA ILE 14 HA ILE 14 -4.850 11.038 -0.747 99 HB ILE 14 HB ILE 14 -6.929 12.691 0.680 100 1HG1 ILE 14 2HG1 ILE 14 -6.164 12.721 -2.237 101 2HG1 ILE 14 1HG1 ILE 14 -7.220 11.460 -1.596 102 1HG2 ILE 14 1HG2 ILE 14 -5.108 14.141 0.931 103 2HG2 ILE 14 2HG2 ILE 14 -5.742 14.618 -0.643 104 3HG2 ILE 14 3HG2 ILE 14 -4.326 13.571 -0.543 105 1HD1 ILE 14 1HD1 ILE 14 -8.129 13.857 -2.506 106 2HD1 ILE 14 2HD1 ILE 14 -7.915 14.227 -0.795 107 3HD1 ILE 14 3HD1 ILE 14 -8.966 12.898 -1.286 108 H GLU 15 H GLU 15 -5.660 11.508 2.691 109 HA GLU 15 HA GLU 15 -3.324 12.926 3.448 110 1HB GLU 15 2HB GLU 15 -5.498 11.581 4.769 111 2HB GLU 15 1HB GLU 15 -3.985 11.137 5.559 112 1HG GLU 15 2HG GLU 15 -3.391 13.548 5.720 113 2HG GLU 15 1HG GLU 15 -4.953 13.958 5.008 114 H ILE 16 H ILE 16 -3.928 9.395 3.546 115 HA ILE 16 HA ILE 16 -1.335 8.622 4.382 116 HB ILE 16 HB ILE 16 -3.158 7.130 2.469 117 1HG1 ILE 16 2HG1 ILE 16 -3.031 7.063 5.503 118 2HG1 ILE 16 1HG1 ILE 16 -4.304 7.844 4.563 119 1HG2 ILE 16 1HG2 ILE 16 -0.767 6.325 2.751 120 2HG2 ILE 16 2HG2 ILE 16 -2.003 5.155 3.215 121 3HG2 ILE 16 3HG2 ILE 16 -1.135 6.061 4.456 122 1HD1 ILE 16 1HD1 ILE 16 -5.161 5.690 5.119 123 2HD1 ILE 16 2HD1 ILE 16 -3.641 4.897 4.703 124 3HD1 ILE 16 3HD1 ILE 16 -4.658 5.575 3.431 125 H GLN 17 H GLN 17 -2.583 8.572 1.019 126 HA GLN 17 HA GLN 17 -0.184 8.060 -0.307 127 1HB GLN 17 2HB GLN 17 -2.643 9.614 -1.025 128 2HB GLN 17 1HB GLN 17 -1.246 9.708 -2.098 129 1HG GLN 17 2HG GLN 17 -2.264 7.043 -1.128 130 2HG GLN 17 1HG GLN 17 -2.991 7.832 -2.529 131 1HE2 GLN 17 1HE2 GLN 17 -0.641 5.610 -1.738 132 2HE2 GLN 17 2HE2 GLN 17 0.389 5.805 -3.072 133 H LYS 18 H LYS 18 -1.331 11.128 1.032 134 HA LYS 18 HA LYS 18 0.608 12.854 -0.108 135 1HB LYS 18 2HB LYS 18 -1.467 13.264 1.540 136 2HB LYS 18 1HB LYS 18 -0.174 13.279 2.741 137 1HG LYS 18 2HG LYS 18 1.032 14.979 1.371 138 2HG LYS 18 1HG LYS 18 -0.336 15.013 0.257 139 1HD LYS 18 2HD LYS 18 -0.883 15.415 3.171 140 2HD LYS 18 1HD LYS 18 -0.166 16.749 2.265 141 1HE LYS 18 2HE LYS 18 -2.635 15.271 1.327 142 2HE LYS 18 1HE LYS 18 -2.710 16.723 2.325 143 1HZ LYS 18 1HZ LYS 18 -1.955 18.032 0.651 144 2HZ LYS 18 2HZ LYS 18 -2.719 16.841 -0.289 145 3HZ LYS 18 3HZ LYS 18 -1.035 16.802 -0.067 146 H GLU 19 H GLU 19 0.724 11.113 3.019 147 HA GLU 19 HA GLU 19 3.396 11.910 3.666 148 1HB GLU 19 2HB GLU 19 1.445 10.596 5.011 149 2HB GLU 19 1HB GLU 19 2.481 9.236 4.578 150 1HG GLU 19 2HG GLU 19 3.492 9.886 6.556 151 2HG GLU 19 1HG GLU 19 4.399 10.877 5.413 152 H GLU 20 H GLU 20 2.264 8.716 2.490 153 HA GLU 20 HA GLU 20 4.604 7.400 2.027 154 1HB GLU 20 2HB GLU 20 1.999 7.429 0.733 155 2HB GLU 20 1HB GLU 20 3.280 7.055 -0.421 156 1HG GLU 20 2HG GLU 20 2.492 4.985 0.608 157 2HG GLU 20 1HG GLU 20 4.138 5.316 1.146 158 H THR 21 H THR 21 3.244 9.298 -0.682 159 HA THR 21 HA THR 21 5.477 9.441 -2.292 160 HB THR 21 HB THR 21 3.665 11.803 -1.720 161 HG1 THR 21 HG1 THR 21 2.569 9.823 -2.224 162 1HG2 THR 21 1HG2 THR 21 5.187 12.710 -3.167 163 2HG2 THR 21 2HG2 THR 21 4.197 11.876 -4.364 164 3HG2 THR 21 3HG2 THR 21 5.690 11.136 -3.785 165 H ARG 22 H ARG 22 4.751 11.757 0.347 166 HA ARG 22 HA ARG 22 6.996 13.387 0.167 167 1HB ARG 22 2HB ARG 22 5.006 13.232 1.949 168 2HB ARG 22 1HB ARG 22 6.264 12.442 2.901 169 1HG ARG 22 2HG ARG 22 7.767 14.411 2.324 170 2HG ARG 22 1HG ARG 22 6.326 15.217 1.699 171 1HD ARG 22 2HD ARG 22 5.522 14.258 4.182 172 2HD ARG 22 1HD ARG 22 7.171 14.809 4.469 173 HE ARG 22 HE ARG 22 5.008 16.543 4.331 174 1HH1 ARG 22 1HH2 ARG 22 7.894 16.036 2.499 175 2HH1 ARG 22 2HH2 ARG 22 7.970 17.669 1.931 176 1HH2 ARG 22 2HH1 ARG 22 5.108 18.670 3.603 177 2HH2 ARG 22 1HH1 ARG 22 6.399 19.158 2.556 178 H ASP 23 H ASP 23 6.827 10.394 2.141 179 HA ASP 23 HA ASP 23 9.534 10.328 2.910 180 1HB ASP 23 2HB ASP 23 9.138 8.157 3.614 181 2HB ASP 23 1HB ASP 23 7.479 8.737 3.469 182 H ILE 24 H ILE 24 8.035 9.441 -0.141 183 HA ILE 24 HA ILE 24 10.409 8.135 -1.207 184 HB ILE 24 HB ILE 24 8.027 9.302 -2.680 185 1HG1 ILE 24 2HG1 ILE 24 8.529 6.521 -1.572 186 2HG1 ILE 24 1HG1 ILE 24 7.309 7.662 -1.005 187 1HG2 ILE 24 1HG2 ILE 24 10.382 8.480 -3.751 188 2HG2 ILE 24 2HG2 ILE 24 8.831 8.300 -4.571 189 3HG2 ILE 24 3HG2 ILE 24 9.521 6.943 -3.680 190 1HD1 ILE 24 1HD1 ILE 24 6.069 6.299 -2.449 191 2HD1 ILE 24 2HD1 ILE 24 7.402 6.130 -3.591 192 3HD1 ILE 24 3HD1 ILE 24 6.508 7.647 -3.498 193 H ILE 25 H ILE 25 8.771 11.067 -2.437 194 HA ILE 25 HA ILE 25 10.833 12.150 -3.915 195 HB ILE 25 HB ILE 25 9.201 13.880 -2.047 196 1HG1 ILE 25 2HG1 ILE 25 7.614 12.316 -2.967 197 2HG1 ILE 25 1HG1 ILE 25 7.467 13.804 -3.903 198 1HG2 ILE 25 1HG2 ILE 25 9.328 14.794 -4.747 199 2HG2 ILE 25 2HG2 ILE 25 10.960 14.334 -4.264 200 3HG2 ILE 25 3HG2 ILE 25 10.064 15.523 -3.320 201 1HD1 ILE 25 1HD1 ILE 25 8.673 11.177 -4.698 202 2HD1 ILE 25 2HD1 ILE 25 9.295 12.657 -5.429 203 3HD1 ILE 25 3HD1 ILE 25 7.592 12.231 -5.610 204 H GLN 26 H GLN 26 10.596 11.988 -0.419 205 HA GLN 26 HA GLN 26 12.781 13.829 0.092 206 1HB GLN 26 2HB GLN 26 11.370 13.551 1.945 207 2HB GLN 26 1HB GLN 26 11.275 11.803 1.730 208 1HG GLN 26 2HG GLN 26 12.731 12.598 3.667 209 2HG GLN 26 1HG GLN 26 13.504 11.488 2.536 210 1HE2 GLN 26 1HE2 GLN 26 15.582 12.167 2.023 211 2HE2 GLN 26 2HE2 GLN 26 16.076 13.784 1.878 212 H ALA 27 H ALA 27 12.504 10.263 0.071 213 HA ALA 27 HA ALA 27 15.296 9.802 0.573 214 1HB ALA 27 1HB ALA 27 13.668 8.025 0.932 215 2HB ALA 27 2HB ALA 27 14.815 7.505 -0.302 216 3HB ALA 27 3HB ALA 27 13.208 8.059 -0.770 217 H LEU 28 H LEU 28 13.443 10.462 -2.332 218 HA LEU 28 HA LEU 28 15.501 9.638 -4.195 219 1HB LEU 28 2HB LEU 28 13.101 11.467 -4.459 220 2HB LEU 28 1HB LEU 28 14.170 11.083 -5.809 221 HG LEU 28 HG LEU 28 12.673 9.039 -4.143 222 1HD1 LEU 28 1HD1 LEU 28 11.199 8.788 -6.016 223 2HD1 LEU 28 2HD1 LEU 28 12.204 9.824 -7.029 224 3HD1 LEU 28 3HD1 LEU 28 11.291 10.520 -5.690 225 1HD2 LEU 28 1HD2 LEU 28 13.450 7.834 -6.480 226 2HD2 LEU 28 2HD2 LEU 28 14.338 7.717 -4.960 227 3HD2 LEU 28 3HD2 LEU 28 14.815 8.908 -6.172 228 H LEU 29 H LEU 29 14.348 12.924 -3.331 229 HA LEU 29 HA LEU 29 16.446 14.363 -4.523 230 1HB LEU 29 2HB LEU 29 14.493 14.862 -2.360 231 2HB LEU 29 1HB LEU 29 15.950 15.853 -2.279 232 HG LEU 29 HG LEU 29 14.664 15.554 -4.952 233 1HD1 LEU 29 1HD1 LEU 29 13.552 17.326 -2.755 234 2HD1 LEU 29 2HD1 LEU 29 12.735 15.931 -3.458 235 3HD1 LEU 29 3HD1 LEU 29 13.056 17.356 -4.447 236 1HD2 LEU 29 1HD2 LEU 29 16.758 16.873 -4.500 237 2HD2 LEU 29 2HD2 LEU 29 15.808 17.939 -3.466 238 3HD2 LEU 29 3HD2 LEU 29 15.455 17.843 -5.190 239 H GLU 30 H GLU 30 16.402 12.554 -1.515 240 HA GLU 30 HA GLU 30 18.947 13.636 -0.575 241 1HB GLU 30 2HB GLU 30 17.569 12.855 1.170 242 2HB GLU 30 1HB GLU 30 17.141 11.385 0.295 243 1HG GLU 30 2HG GLU 30 20.021 11.853 0.970 244 2HG GLU 30 1HG GLU 30 18.934 11.321 2.252 245 H ASP 31 H ASP 31 17.861 10.811 -2.393 246 HA ASP 31 HA ASP 31 20.376 9.406 -2.313 247 1HB ASP 31 2HB ASP 31 17.837 9.215 -3.845 248 2HB ASP 31 1HB ASP 31 19.263 8.523 -4.618 249 H GLY 32 H GLY 32 19.084 11.980 -4.318 250 1HA GLY 32 2HA GLY 32 21.064 13.373 -5.244 251 2HA GLY 32 1HA GLY 32 21.542 11.858 -6.010 252 H SER 33 H SER 33 18.203 11.977 -5.878 253 HA SER 33 HA SER 33 17.669 11.900 -8.574 254 1HB SER 33 2HB SER 33 16.146 12.742 -6.201 255 2HB SER 33 1HB SER 33 15.563 13.449 -7.706 256 HG SER 33 HG SER 33 16.122 10.689 -7.340 257 H ASP 34 H ASP 34 16.764 13.639 -10.042 258 HA ASP 34 HA ASP 34 17.859 16.345 -9.472 259 1HB ASP 34 2HB ASP 34 19.287 14.600 -11.024 260 2HB ASP 34 1HB ASP 34 18.302 15.416 -12.238 261 HA PRO 35 HA PRO 35 13.539 16.688 -10.997 262 1HB PRO 35 2HB PRO 35 14.092 19.489 -10.151 263 2HB PRO 35 1HB PRO 35 12.713 18.444 -9.760 264 1HG PRO 35 2HG PRO 35 14.624 18.988 -7.974 265 2HG PRO 35 1HG PRO 35 13.806 17.416 -8.033 266 1HD PRO 35 2HD PRO 35 16.566 18.136 -8.916 267 2HD PRO 35 1HD PRO 35 15.952 16.600 -8.267 268 H ASP 36 H ASP 36 16.482 18.212 -11.931 269 HA ASP 36 HA ASP 36 15.258 19.766 -14.114 270 1HB ASP 36 2HB ASP 36 17.715 19.848 -12.692 271 2HB ASP 36 1HB ASP 36 18.114 19.496 -14.373 272 H ALA 37 H ALA 37 15.220 16.695 -13.889 273 HA ALA 37 HA ALA 37 16.216 16.216 -16.664 274 1HB ALA 37 1HB ALA 37 16.836 14.756 -14.164 275 2HB ALA 37 2HB ALA 37 17.766 14.877 -15.657 276 3HB ALA 37 3HB ALA 37 16.421 13.742 -15.545 277 H LEU 38 H LEU 38 13.547 16.538 -14.881 278 HA LEU 38 HA LEU 38 11.334 15.806 -15.137 279 1HB LEU 38 2HB LEU 38 12.646 15.340 -17.728 280 2HB LEU 38 1HB LEU 38 11.245 14.306 -17.445 281 HG LEU 38 HG LEU 38 11.081 17.251 -16.858 282 1HD1 LEU 38 1HD1 LEU 38 10.474 17.752 -19.104 283 2HD1 LEU 38 2HD1 LEU 38 10.388 16.045 -19.543 284 3HD1 LEU 38 3HD1 LEU 38 11.952 16.799 -19.232 285 1HD2 LEU 38 1HD2 LEU 38 8.709 16.858 -17.276 286 2HD2 LEU 38 2HD2 LEU 38 9.294 15.651 -16.131 287 3HD2 LEU 38 3HD2 LEU 38 9.046 15.215 -17.822 288 H TYR 39 H TYR 39 10.013 13.850 -14.957 289 HA TYR 39 HA TYR 39 11.568 11.334 -14.591 290 1HB TYR 39 2HB TYR 39 10.213 12.914 -12.521 291 2HB TYR 39 1HB TYR 39 9.685 11.233 -12.564 292 HD1 TYR 39 HD1 TYR 39 12.675 13.434 -12.319 293 HD2 TYR 39 HD2 TYR 39 11.108 9.464 -11.835 294 HE1 TYR 39 HE1 TYR 39 14.773 12.743 -11.192 295 HE2 TYR 39 HE2 TYR 39 13.207 8.774 -10.709 296 HH TYR 39 HH TYR 39 15.346 9.371 -10.287 297 H GLU 40 H GLU 40 10.098 9.413 -14.522 298 HA GLU 40 HA GLU 40 7.636 9.925 -16.138 299 1HB GLU 40 2HB GLU 40 9.769 7.870 -16.274 300 2HB GLU 40 1HB GLU 40 8.124 7.274 -16.502 301 1HG GLU 40 2HG GLU 40 7.778 8.555 -18.416 302 2HG GLU 40 1HG GLU 40 8.999 9.745 -17.964 303 H ILE 41 H ILE 41 5.887 9.812 -14.813 304 HA ILE 41 HA ILE 41 5.929 8.159 -12.391 305 HB ILE 41 HB ILE 41 3.497 9.539 -13.519 306 1HG1 ILE 41 2HG1 ILE 41 5.274 11.194 -13.663 307 2HG1 ILE 41 1HG1 ILE 41 4.258 11.580 -12.273 308 1HG2 ILE 41 1HG2 ILE 41 4.479 8.626 -10.833 309 2HG2 ILE 41 2HG2 ILE 41 2.896 8.408 -11.576 310 3HG2 ILE 41 3HG2 ILE 41 3.354 9.981 -10.922 311 1HD1 ILE 41 1HD1 ILE 41 6.548 11.772 -11.551 312 2HD1 ILE 41 2HD1 ILE 41 6.958 10.205 -12.248 313 3HD1 ILE 41 3HD1 ILE 41 5.902 10.295 -10.838 314 H GLU 42 H GLU 42 4.422 6.414 -12.008 315 HA GLU 42 HA GLU 42 3.161 5.269 -14.457 316 1HB GLU 42 2HB GLU 42 5.460 4.230 -13.765 317 2HB GLU 42 1HB GLU 42 4.539 3.492 -12.454 318 1HG GLU 42 2HG GLU 42 4.082 3.175 -15.430 319 2HG GLU 42 1HG GLU 42 4.524 1.921 -14.271 320 H HIS 43 H HIS 43 1.024 5.457 -13.869 321 HA HIS 43 HA HIS 43 0.260 4.734 -11.086 322 1HB HIS 43 2HB HIS 43 -1.582 5.856 -13.199 323 2HB HIS 43 1HB HIS 43 -1.754 5.929 -11.446 324 HD2 HIS 43 HD2 HIS 43 0.521 7.610 -14.233 325 HE1 HIS 43 HE1 HIS 43 0.696 9.955 -10.725 326 HE2 HIS 43 HE2 HIS 43 1.408 9.814 -13.155 327 H HIS 44 H HIS 44 -1.259 3.079 -10.688 328 HA HIS 44 HA HIS 44 -1.835 1.314 -13.035 329 1HB HIS 44 2HB HIS 44 -0.975 0.703 -10.226 330 2HB HIS 44 1HB HIS 44 -1.994 -0.458 -11.078 331 HD2 HIS 44 HD2 HIS 44 -0.636 -0.298 -14.067 332 HE1 HIS 44 HE1 HIS 44 3.002 -1.144 -12.093 333 HE2 HIS 44 HE2 HIS 44 1.826 -1.113 -14.342 334 H LEU 45 H LEU 45 -3.977 0.868 -13.386 335 HA LEU 45 HA LEU 45 -5.893 1.426 -11.165 336 1HB LEU 45 2HB LEU 45 -6.126 2.313 -14.054 337 2HB LEU 45 1HB LEU 45 -7.438 2.408 -12.879 338 HG LEU 45 HG LEU 45 -5.294 3.576 -11.551 339 1HD1 LEU 45 1HD1 LEU 45 -4.450 5.269 -13.150 340 2HD1 LEU 45 2HD1 LEU 45 -5.338 4.474 -14.449 341 3HD1 LEU 45 3HD1 LEU 45 -4.007 3.637 -13.649 342 1HD2 LEU 45 1HD2 LEU 45 -7.724 4.262 -11.666 343 2HD2 LEU 45 2HD2 LEU 45 -7.375 5.014 -13.223 344 3HD2 LEU 45 3HD2 LEU 45 -6.589 5.609 -11.761 345 H PHE 46 H PHE 46 -7.795 0.125 -11.209 346 HA PHE 46 HA PHE 46 -7.862 -2.013 -13.283 347 1HB PHE 46 2HB PHE 46 -8.723 -3.224 -10.901 348 2HB PHE 46 1HB PHE 46 -7.210 -3.533 -11.753 349 HD1 PHE 46 HD1 PHE 46 -8.656 -2.373 -8.722 350 HD2 PHE 46 HD2 PHE 46 -5.268 -1.818 -11.304 351 HE1 PHE 46 HE1 PHE 46 -7.388 -1.369 -6.842 352 HE2 PHE 46 HE2 PHE 46 -4.000 -0.815 -9.424 353 HZ PHE 46 HZ PHE 46 -5.060 -0.590 -7.193 354 H ALA 47 H ALA 47 -9.998 -3.046 -13.453 355 HA ALA 47 HA ALA 47 -12.235 -1.696 -12.079 356 1HB ALA 47 1HB ALA 47 -12.607 -1.799 -15.007 357 2HB ALA 47 2HB ALA 47 -11.411 -0.625 -14.459 358 3HB ALA 47 3HB ALA 47 -13.068 -0.543 -13.858 359 H GLU 48 H GLU 48 -14.382 -2.683 -13.177 360 HA GLU 48 HA GLU 48 -13.874 -5.620 -13.454 361 1HB GLU 48 2HB GLU 48 -15.694 -4.090 -11.764 362 2HB GLU 48 1HB GLU 48 -16.550 -5.290 -12.734 363 1HG GLU 48 2HG GLU 48 -14.116 -5.862 -11.018 364 2HG GLU 48 1HG GLU 48 -15.782 -6.228 -10.565 365 H ASP 49 H ASP 49 -15.780 -2.861 -14.595 366 HA ASP 49 HA ASP 49 -16.766 -4.560 -16.845 367 1HB ASP 49 2HB ASP 49 -18.279 -3.055 -15.224 368 2HB ASP 49 1HB ASP 49 -17.830 -1.808 -16.388 369 H PHE 50 H PHE 50 -15.537 -4.341 -18.647 370 HA PHE 50 HA PHE 50 -13.564 -2.392 -19.106 371 1HB PHE 50 2HB PHE 50 -13.861 -4.508 -20.421 372 2HB PHE 50 1HB PHE 50 -15.234 -3.760 -21.237 373 HD1 PHE 50 HD1 PHE 50 -14.830 -2.708 -23.270 374 HD2 PHE 50 HD2 PHE 50 -11.669 -2.938 -20.370 375 HE1 PHE 50 HE1 PHE 50 -13.286 -1.602 -24.864 376 HE2 PHE 50 HE2 PHE 50 -10.126 -1.832 -21.965 377 HZ PHE 50 HZ PHE 50 -10.935 -1.164 -24.213 378 H ASP 51 H ASP 51 -16.939 -1.987 -19.097 379 HA ASP 51 HA ASP 51 -17.203 0.067 -21.094 380 1HB ASP 51 2HB ASP 51 -19.076 -1.251 -19.929 381 2HB ASP 51 1HB ASP 51 -18.868 -0.136 -18.579 382 H LYS 52 H LYS 52 -17.463 0.566 -17.563 383 HA LYS 52 HA LYS 52 -16.877 3.338 -17.650 384 1HB LYS 52 2HB LYS 52 -16.503 3.174 -15.254 385 2HB LYS 52 1HB LYS 52 -17.839 2.106 -15.682 386 1HG LYS 52 2HG LYS 52 -16.199 0.208 -15.818 387 2HG LYS 52 1HG LYS 52 -14.957 1.300 -15.204 388 1HD LYS 52 2HD LYS 52 -15.907 1.421 -13.092 389 2HD LYS 52 1HD LYS 52 -17.529 1.069 -13.688 390 1HE LYS 52 2HE LYS 52 -17.241 -1.170 -13.481 391 2HE LYS 52 1HE LYS 52 -15.614 -1.109 -14.157 392 1HZ LYS 52 1HZ LYS 52 -16.142 -0.080 -11.448 393 2HZ LYS 52 2HZ LYS 52 -14.684 -0.643 -12.113 394 3HZ LYS 52 3HZ LYS 52 -15.914 -1.741 -11.699 395 H LEU 53 H LEU 53 -14.732 0.536 -17.377 396 HA LEU 53 HA LEU 53 -12.324 1.896 -16.754 397 1HB LEU 53 2HB LEU 53 -12.735 -0.627 -16.862 398 2HB LEU 53 1HB LEU 53 -12.504 -0.489 -18.603 399 HG LEU 53 HG LEU 53 -10.479 0.581 -16.632 400 1HD1 LEU 53 1HD1 LEU 53 -9.217 -1.523 -17.023 401 2HD1 LEU 53 2HD1 LEU 53 -10.597 -2.166 -17.914 402 3HD1 LEU 53 3HD1 LEU 53 -10.745 -1.817 -16.192 403 1HD2 LEU 53 1HD2 LEU 53 -9.062 -0.032 -18.782 404 2HD2 LEU 53 2HD2 LEU 53 -9.985 1.471 -18.729 405 3HD2 LEU 53 3HD2 LEU 53 -10.627 0.071 -19.588 406 H GLU 54 H GLU 54 -13.585 0.980 -19.981 407 HA GLU 54 HA GLU 54 -11.553 2.181 -21.524 408 1HB GLU 54 2HB GLU 54 -13.495 0.724 -22.328 409 2HB GLU 54 1HB GLU 54 -14.477 2.190 -22.299 410 1HG GLU 54 2HG GLU 54 -13.285 3.188 -24.030 411 2HG GLU 54 1HG GLU 54 -11.831 2.241 -23.712 412 H LYS 55 H LYS 55 -14.719 3.634 -20.665 413 HA LYS 55 HA LYS 55 -14.297 6.189 -21.714 414 1HB LYS 55 2HB LYS 55 -16.330 5.145 -20.394 415 2HB LYS 55 1HB LYS 55 -15.570 5.933 -19.011 416 1HG LYS 55 2HG LYS 55 -16.808 7.726 -19.712 417 2HG LYS 55 1HG LYS 55 -15.450 7.950 -20.815 418 1HD LYS 55 2HD LYS 55 -16.640 6.586 -22.520 419 2HD LYS 55 1HD LYS 55 -18.015 6.450 -21.423 420 1HE LYS 55 2HE LYS 55 -18.603 8.269 -22.799 421 2HE LYS 55 1HE LYS 55 -17.938 9.048 -21.361 422 1HZ LYS 55 1HZ LYS 55 -16.680 8.671 -24.005 423 2HZ LYS 55 2HZ LYS 55 -15.734 8.941 -22.619 424 3HZ LYS 55 3HZ LYS 55 -16.872 10.102 -23.114 425 H ALA 56 H ALA 56 -13.660 5.279 -18.303 426 HA ALA 56 HA ALA 56 -12.360 7.646 -17.534 427 1HB ALA 56 1HB ALA 56 -11.096 5.246 -16.425 428 2HB ALA 56 2HB ALA 56 -12.857 5.189 -16.357 429 3HB ALA 56 3HB ALA 56 -11.989 6.526 -15.603 430 H ALA 57 H ALA 57 -11.042 4.849 -19.265 431 HA ALA 57 HA ALA 57 -8.290 5.584 -19.101 432 1HB ALA 57 1HB ALA 57 -9.927 3.874 -20.929 433 2HB ALA 57 2HB ALA 57 -8.547 3.435 -19.924 434 3HB ALA 57 3HB ALA 57 -8.295 4.308 -21.436 435 H VAL 58 H VAL 58 -10.790 6.412 -21.507 436 HA VAL 58 HA VAL 58 -9.077 7.871 -23.260 437 HB VAL 58 HB VAL 58 -11.993 8.482 -22.725 438 1HG1 VAL 58 1HG1 VAL 58 -12.003 9.275 -24.992 439 2HG1 VAL 58 2HG1 VAL 58 -10.393 8.623 -25.292 440 3HG1 VAL 58 3HG1 VAL 58 -10.599 10.000 -24.209 441 1HG2 VAL 58 1HG2 VAL 58 -12.499 6.407 -23.448 442 2HG2 VAL 58 2HG2 VAL 58 -10.785 6.025 -23.610 443 3HG2 VAL 58 3HG2 VAL 58 -11.659 6.748 -24.961 444 H GLU 59 H GLU 59 -11.142 9.027 -20.573 445 HA GLU 59 HA GLU 59 -10.489 11.770 -20.772 446 1HB GLU 59 2HB GLU 59 -11.937 10.164 -18.993 447 2HB GLU 59 1HB GLU 59 -10.683 10.906 -17.999 448 1HG GLU 59 2HG GLU 59 -12.407 12.506 -17.948 449 2HG GLU 59 1HG GLU 59 -11.343 13.110 -19.219 450 H ALA 60 H ALA 60 -8.693 9.103 -19.311 451 HA ALA 60 HA ALA 60 -6.768 10.725 -17.924 452 1HB ALA 60 1HB ALA 60 -6.004 8.065 -19.068 453 2HB ALA 60 2HB ALA 60 -7.270 8.121 -17.841 454 3HB ALA 60 3HB ALA 60 -5.659 8.738 -17.474 455 H PHE 61 H PHE 61 -6.268 8.829 -20.928 456 HA PHE 61 HA PHE 61 -3.844 10.020 -21.690 457 1HB PHE 61 2HB PHE 61 -4.458 8.184 -23.000 458 2HB PHE 61 1HB PHE 61 -6.100 8.779 -23.242 459 HD1 PHE 61 HD1 PHE 61 -2.576 9.112 -24.285 460 HD2 PHE 61 HD2 PHE 61 -6.606 10.449 -24.933 461 HE1 PHE 61 HE1 PHE 61 -1.879 10.177 -26.414 462 HE2 PHE 61 HE2 PHE 61 -5.911 11.514 -27.063 463 HZ PHE 61 HZ PHE 61 -3.547 11.378 -27.803 464 H LYS 62 H LYS 62 -7.160 11.158 -22.280 465 HA LYS 62 HA LYS 62 -6.607 13.281 -24.045 466 1HB LYS 62 2HB LYS 62 -8.897 12.637 -23.421 467 2HB LYS 62 1HB LYS 62 -8.623 13.219 -21.778 468 1HG LYS 62 2HG LYS 62 -8.386 15.485 -22.524 469 2HG LYS 62 1HG LYS 62 -8.319 14.989 -24.215 470 1HD LYS 62 2HD LYS 62 -10.724 14.475 -22.449 471 2HD LYS 62 1HD LYS 62 -10.558 15.925 -23.438 472 1HE LYS 62 2HE LYS 62 -10.848 13.062 -24.326 473 2HE LYS 62 1HE LYS 62 -11.766 14.477 -24.838 474 1HZ LYS 62 1HZ LYS 62 -9.743 15.325 -25.901 475 2HZ LYS 62 2HZ LYS 62 -10.229 13.833 -26.553 476 3HZ LYS 62 3HZ LYS 62 -8.922 13.904 -25.470 477 H MET 63 H MET 63 -6.750 13.443 -20.466 478 HA MET 63 HA MET 63 -5.957 16.112 -20.147 479 1HB MET 63 2HB MET 63 -5.314 13.675 -18.466 480 2HB MET 63 1HB MET 63 -4.939 15.322 -17.959 481 1HG MET 63 2HG MET 63 -7.434 15.823 -18.448 482 2HG MET 63 1HG MET 63 -7.643 14.072 -18.419 483 1HE MET 63 1HE MET 63 -7.668 12.611 -16.392 484 2HE MET 63 2HE MET 63 -9.073 13.662 -16.551 485 3HE MET 63 3HE MET 63 -8.361 13.389 -14.962 486 H GLY 64 H GLY 64 -3.887 13.236 -20.544 487 1HA GLY 64 2HA GLY 64 -1.901 14.044 -22.127 488 2HA GLY 64 1HA GLY 64 -1.501 14.987 -20.691 489 H PHE 65 H PHE 65 -2.950 11.808 -20.446 490 HA PHE 65 HA PHE 65 -0.429 10.851 -19.174 491 1HB PHE 65 2HB PHE 65 -3.328 10.077 -18.908 492 2HB PHE 65 1HB PHE 65 -2.057 8.964 -18.403 493 HD1 PHE 65 HD1 PHE 65 -0.756 9.361 -16.425 494 HD2 PHE 65 HD2 PHE 65 -3.505 12.336 -17.853 495 HE1 PHE 65 HE1 PHE 65 -0.499 10.617 -14.303 496 HE2 PHE 65 HE2 PHE 65 -3.248 13.593 -15.731 497 HZ PHE 65 HZ PHE 65 -1.744 12.734 -13.956 498 H GLU 66 H GLU 66 -0.031 8.418 -19.533 499 HA GLU 66 HA GLU 66 -0.626 7.753 -22.389 500 1HB GLU 66 2HB GLU 66 1.888 7.887 -20.925 501 2HB GLU 66 1HB GLU 66 1.638 6.287 -21.625 502 1HG GLU 66 2HG GLU 66 1.028 7.494 -23.801 503 2HG GLU 66 1HG GLU 66 1.683 8.951 -23.052 504 H VAL 67 H VAL 67 -2.528 6.576 -21.677 505 HA VAL 67 HA VAL 67 -2.524 4.540 -19.699 506 HB VAL 67 HB VAL 67 -4.603 5.392 -20.661 507 1HG1 VAL 67 1HG1 VAL 67 -5.097 5.368 -22.904 508 2HG1 VAL 67 2HG1 VAL 67 -4.227 3.860 -23.185 509 3HG1 VAL 67 3HG1 VAL 67 -3.338 5.376 -23.038 510 1HG2 VAL 67 1HG2 VAL 67 -4.181 2.465 -21.349 511 2HG2 VAL 67 2HG2 VAL 67 -5.737 3.245 -21.065 512 3HG2 VAL 67 3HG2 VAL 67 -4.578 3.083 -19.745 513 H LEU 68 H LEU 68 -2.017 2.347 -19.786 514 HA LEU 68 HA LEU 68 -0.707 1.412 -22.308 515 1HB LEU 68 2HB LEU 68 0.590 1.787 -19.962 516 2HB LEU 68 1HB LEU 68 0.026 0.133 -19.728 517 HG LEU 68 HG LEU 68 0.931 -0.053 -22.272 518 1HD1 LEU 68 1HD1 LEU 68 2.938 1.777 -20.953 519 2HD1 LEU 68 2HD1 LEU 68 1.679 2.406 -22.015 520 3HD1 LEU 68 3HD1 LEU 68 2.868 1.263 -22.637 521 1HD2 LEU 68 1HD2 LEU 68 2.467 -0.315 -19.672 522 2HD2 LEU 68 2HD2 LEU 68 3.080 -0.909 -21.216 523 3HD2 LEU 68 3HD2 LEU 68 1.598 -1.582 -20.537 524 H GLU 69 H GLU 69 -1.108 -0.780 -22.900 525 HA GLU 69 HA GLU 69 -3.680 -1.793 -22.514 526 1HB GLU 69 2HB GLU 69 -1.195 -3.480 -22.930 527 2HB GLU 69 1HB GLU 69 -2.849 -3.919 -23.356 528 1HG GLU 69 2HG GLU 69 -1.751 -1.370 -24.465 529 2HG GLU 69 1HG GLU 69 -1.192 -2.887 -25.168 530 H ALA 70 H ALA 70 -4.462 -3.608 -21.215 531 HA ALA 70 HA ALA 70 -3.077 -3.737 -18.570 532 1HB ALA 70 1HB ALA 70 -5.980 -4.150 -19.338 533 2HB ALA 70 2HB ALA 70 -5.313 -2.831 -18.377 534 3HB ALA 70 3HB ALA 70 -5.340 -4.471 -17.727 535 H GLU 71 H GLU 71 -3.830 -5.945 -17.424 536 HA GLU 71 HA GLU 71 -3.793 -8.200 -19.341 537 1HB GLU 71 2HB GLU 71 -1.911 -9.231 -17.889 538 2HB GLU 71 1HB GLU 71 -1.454 -7.998 -19.064 539 1HG GLU 71 2HG GLU 71 -0.957 -6.450 -17.451 540 2HG GLU 71 1HG GLU 71 -2.237 -7.010 -16.374 541 H GLU 72 H GLU 72 -5.035 -9.861 -18.571 542 HA GLU 72 HA GLU 72 -6.713 -9.621 -16.347 543 1HB GLU 72 2HB GLU 72 -5.930 -11.746 -18.177 544 2HB GLU 72 1HB GLU 72 -6.237 -12.373 -16.556 545 1HG GLU 72 2HG GLU 72 -8.138 -10.503 -17.990 546 2HG GLU 72 1HG GLU 72 -8.277 -12.260 -18.060 547 H THR 73 H THR 73 -6.214 -9.494 -14.216 548 HA THR 73 HA THR 73 -4.148 -11.306 -13.114 549 HB THR 73 HB THR 73 -2.915 -9.238 -13.664 550 HG1 THR 73 HG1 THR 73 -2.570 -10.453 -11.664 551 1HG2 THR 73 1HG2 THR 73 -3.520 -7.126 -12.564 552 2HG2 THR 73 2HG2 THR 73 -4.918 -7.902 -11.821 553 3HG2 THR 73 3HG2 THR 73 -4.849 -7.697 -13.572 554 H GLU 74 H GLU 74 -4.056 -10.416 -10.545 555 HA GLU 74 HA GLU 74 -6.803 -9.885 -9.608 556 1HB GLU 74 2HB GLU 74 -7.131 -11.900 -8.465 557 2HB GLU 74 1HB GLU 74 -6.360 -12.452 -9.953 558 1HG GLU 74 2HG GLU 74 -4.132 -12.185 -8.674 559 2HG GLU 74 1HG GLU 74 -5.128 -12.119 -7.219 560 H ASP 75 H ASP 75 -6.827 -9.217 -7.370 561 HA ASP 75 HA ASP 75 -4.105 -8.525 -6.343 562 1HB ASP 75 2HB ASP 75 -6.667 -7.102 -5.610 563 2HB ASP 75 1HB ASP 75 -5.008 -6.530 -5.424 564 H GLU 76 H GLU 76 -5.940 -7.627 -3.911 565 HA GLU 76 HA GLU 76 -5.542 -10.171 -2.464 566 1HB GLU 76 2HB GLU 76 -5.130 -7.587 -1.717 567 2HB GLU 76 1HB GLU 76 -6.744 -7.857 -1.058 568 1HG GLU 76 2HG GLU 76 -4.296 -9.570 -0.543 569 2HG GLU 76 1HG GLU 76 -5.063 -8.477 0.609 570 H ASP 77 H ASP 77 -7.869 -9.329 -4.441 571 HA ASP 77 HA ASP 77 -10.128 -9.988 -2.610 572 1HB ASP 77 2HB ASP 77 -11.463 -9.403 -4.781 573 2HB ASP 77 1HB ASP 77 -10.742 -8.092 -3.848 574 H GLY 78 H GLY 78 -8.571 -11.008 -5.641 575 1HA GLY 78 2HA GLY 78 -8.442 -13.203 -6.518 576 2HA GLY 78 1HA GLY 78 -9.409 -13.766 -5.155 577 H ASN 79 H ASN 79 -10.043 -11.356 -7.723 578 HA ASN 79 HA ASN 79 -12.481 -12.945 -8.420 579 1HB ASN 79 2HB ASN 79 -12.791 -10.691 -7.141 580 2HB ASN 79 1HB ASN 79 -12.365 -9.946 -8.682 581 1HD2 ASN 79 1HD2 ASN 79 -14.235 -12.969 -8.185 582 2HD2 ASN 79 2HD2 ASN 79 -15.654 -12.395 -8.921 583 H LYS 80 H LYS 80 -9.552 -11.708 -9.491 584 HA LYS 80 HA LYS 80 -8.605 -11.558 -11.633 585 1HB LYS 80 2HB LYS 80 -10.726 -13.533 -11.810 586 2HB LYS 80 1HB LYS 80 -10.560 -12.656 -13.332 587 1HG LYS 80 2HG LYS 80 -8.123 -13.116 -13.316 588 2HG LYS 80 1HG LYS 80 -8.318 -14.036 -11.825 589 1HD LYS 80 2HD LYS 80 -9.184 -15.836 -12.906 590 2HD LYS 80 1HD LYS 80 -10.157 -14.836 -13.984 591 1HE LYS 80 2HE LYS 80 -8.031 -14.258 -15.222 592 2HE LYS 80 1HE LYS 80 -7.206 -15.470 -14.242 593 1HZ LYS 80 1HZ LYS 80 -7.817 -16.728 -16.020 594 2HZ LYS 80 2HZ LYS 80 -9.221 -15.825 -16.337 595 3HZ LYS 80 3HZ LYS 80 -9.195 -16.940 -15.055 596 H LEU 81 H LEU 81 -8.536 -9.659 -12.737 597 HA LEU 81 HA LEU 81 -10.966 -8.595 -14.004 598 1HB LEU 81 2HB LEU 81 -10.130 -6.298 -12.780 599 2HB LEU 81 1HB LEU 81 -11.451 -7.306 -12.187 600 HG LEU 81 HG LEU 81 -9.827 -8.572 -10.792 601 1HD1 LEU 81 1HD1 LEU 81 -7.542 -7.816 -10.575 602 2HD1 LEU 81 2HD1 LEU 81 -7.849 -6.430 -11.621 603 3HD1 LEU 81 3HD1 LEU 81 -7.861 -8.061 -12.293 604 1HD2 LEU 81 1HD2 LEU 81 -9.140 -5.918 -9.840 605 2HD2 LEU 81 2HD2 LEU 81 -10.264 -7.087 -9.148 606 3HD2 LEU 81 3HD2 LEU 81 -10.815 -5.962 -10.389 607 H LEU 82 H LEU 82 -10.022 -6.046 -14.612 608 HA LEU 82 HA LEU 82 -7.546 -6.695 -16.160 609 1HB LEU 82 2HB LEU 82 -9.595 -4.567 -16.832 610 2HB LEU 82 1HB LEU 82 -8.309 -5.189 -17.868 611 HG LEU 82 HG LEU 82 -9.788 -7.449 -17.058 612 1HD1 LEU 82 1HD1 LEU 82 -12.066 -6.774 -17.947 613 2HD1 LEU 82 2HD1 LEU 82 -11.537 -5.096 -17.821 614 3HD1 LEU 82 3HD1 LEU 82 -11.655 -6.095 -16.372 615 1HD2 LEU 82 1HD2 LEU 82 -10.540 -7.284 -19.539 616 2HD2 LEU 82 2HD2 LEU 82 -8.811 -7.395 -19.210 617 3HD2 LEU 82 3HD2 LEU 82 -9.536 -5.835 -19.596 618 H CYS 83 H CYS 83 -5.857 -5.182 -16.152 619 HA CYS 83 HA CYS 83 -6.224 -2.735 -14.502 620 1HB CYS 83 2HB CYS 83 -5.233 -4.022 -12.842 621 2HB CYS 83 1HB CYS 83 -4.330 -5.000 -13.998 622 HG CYS 83 HG CYS 83 -2.605 -3.106 -14.255 623 H PHE 84 H PHE 84 -5.640 -1.088 -15.813 624 HA PHE 84 HA PHE 84 -3.569 -1.589 -17.894 625 1HB PHE 84 2HB PHE 84 -4.379 0.734 -18.690 626 2HB PHE 84 1HB PHE 84 -5.489 -0.621 -18.885 627 HD1 PHE 84 HD1 PHE 84 -5.166 2.672 -17.662 628 HD2 PHE 84 HD2 PHE 84 -7.056 -1.084 -16.784 629 HE1 PHE 84 HE1 PHE 84 -6.844 3.844 -16.262 630 HE2 PHE 84 HE2 PHE 84 -8.734 0.089 -15.384 631 HZ PHE 84 HZ PHE 84 -8.628 2.553 -15.124 632 H ASP 85 H ASP 85 -2.071 0.369 -18.273 633 HA ASP 85 HA ASP 85 -1.300 1.537 -15.626 634 1HB ASP 85 2HB ASP 85 0.794 1.112 -17.701 635 2HB ASP 85 1HB ASP 85 0.905 0.975 -15.947 636 H ALA 86 H ALA 86 -0.720 3.712 -15.638 637 HA ALA 86 HA ALA 86 -0.894 5.103 -18.282 638 1HB ALA 86 1HB ALA 86 -1.590 7.027 -16.448 639 2HB ALA 86 2HB ALA 86 -2.311 5.582 -15.739 640 3HB ALA 86 3HB ALA 86 -2.745 6.070 -17.377 641 H THR 87 H THR 87 0.855 6.382 -18.748 642 HA THR 87 HA THR 87 2.811 6.837 -16.534 643 HB THR 87 HB THR 87 4.189 7.307 -18.876 644 HG1 THR 87 HG1 THR 87 2.705 6.518 -20.244 645 1HG2 THR 87 1HG2 THR 87 4.883 4.791 -18.470 646 2HG2 THR 87 2HG2 THR 87 3.875 4.967 -17.031 647 3HG2 THR 87 3HG2 THR 87 5.268 6.024 -17.269 648 H MET 88 H MET 88 3.725 8.917 -16.315 649 HA MET 88 HA MET 88 2.735 11.060 -18.112 650 1HB MET 88 2HB MET 88 1.194 10.731 -16.056 651 2HB MET 88 1HB MET 88 2.533 11.390 -15.117 652 1HG MET 88 2HG MET 88 2.541 13.389 -16.625 653 2HG MET 88 1HG MET 88 1.107 12.745 -17.425 654 1HE MET 88 1HE MET 88 0.531 15.046 -17.030 655 2HE MET 88 2HE MET 88 -0.272 15.689 -15.600 656 3HE MET 88 3HE MET 88 -1.082 14.473 -16.584 657 H GLN 89 H GLN 89 4.059 13.004 -17.955 658 HA GLN 89 HA GLN 89 6.737 12.427 -16.761 659 1HB GLN 89 2HB GLN 89 6.310 14.670 -18.696 660 2HB GLN 89 1HB GLN 89 7.707 13.610 -18.498 661 1HG GLN 89 2HG GLN 89 5.034 12.807 -19.688 662 2HG GLN 89 1HG GLN 89 6.521 13.095 -20.594 663 1HE2 GLN 89 1HE2 GLN 89 5.613 10.601 -21.000 664 2HE2 GLN 89 2HE2 GLN 89 6.446 9.447 -20.075 665 H SER 90 H SER 90 7.227 13.552 -14.945 666 HA SER 90 HA SER 90 6.146 16.310 -14.644 667 1HB SER 90 2HB SER 90 5.393 15.909 -12.409 668 2HB SER 90 1HB SER 90 4.733 14.598 -13.382 669 HG SER 90 HG SER 90 6.031 13.221 -12.414 670 H ALA 91 H ALA 91 7.328 17.454 -12.792 671 HA ALA 91 HA ALA 91 10.205 16.841 -13.042 672 1HB ALA 91 1HB ALA 91 10.164 19.110 -13.126 673 2HB ALA 91 2HB ALA 91 10.010 19.029 -11.372 674 3HB ALA 91 3HB ALA 91 8.570 19.193 -12.376 675 H LEU 92 H LEU 92 8.813 14.891 -11.581 676 HA LEU 92 HA LEU 92 8.608 13.938 -9.412 677 1HB LEU 92 2HB LEU 92 11.065 13.752 -10.267 678 2HB LEU 92 1HB LEU 92 11.412 14.979 -9.049 679 HG LEU 92 HG LEU 92 10.058 13.390 -7.457 680 1HD1 LEU 92 1HD1 LEU 92 11.152 11.107 -8.909 681 2HD1 LEU 92 2HD1 LEU 92 9.900 11.936 -9.834 682 3HD1 LEU 92 3HD1 LEU 92 9.544 11.327 -8.218 683 1HD2 LEU 92 1HD2 LEU 92 12.119 12.368 -6.772 684 2HD2 LEU 92 2HD2 LEU 92 12.547 13.945 -7.435 685 3HD2 LEU 92 3HD2 LEU 92 12.793 12.486 -8.397 686 H ASP 93 H ASP 93 7.090 15.590 -8.595 687 HA ASP 93 HA ASP 93 8.350 17.186 -6.420 688 1HB ASP 93 2HB ASP 93 7.012 18.237 -8.774 689 2HB ASP 93 1HB ASP 93 6.157 18.709 -7.305 690 H ALA 94 H ALA 94 7.001 17.415 -4.574 691 HA ALA 94 HA ALA 94 4.968 15.345 -4.293 692 1HB ALA 94 1HB ALA 94 4.688 16.612 -2.001 693 2HB ALA 94 2HB ALA 94 6.175 17.426 -2.492 694 3HB ALA 94 3HB ALA 94 6.150 15.672 -2.305 695 H LYS 95 H LYS 95 4.913 18.923 -4.108 696 HA LYS 95 HA LYS 95 2.132 19.248 -3.788 697 1HB LYS 95 2HB LYS 95 3.885 21.070 -3.723 698 2HB LYS 95 1HB LYS 95 3.905 21.024 -5.486 699 1HG LYS 95 2HG LYS 95 1.768 21.903 -5.674 700 2HG LYS 95 1HG LYS 95 1.267 21.297 -4.095 701 1HD LYS 95 2HD LYS 95 2.631 22.972 -2.968 702 2HD LYS 95 1HD LYS 95 3.273 23.531 -4.513 703 1HE LYS 95 2HE LYS 95 0.303 23.504 -4.061 704 2HE LYS 95 1HE LYS 95 1.274 24.826 -3.413 705 1HZ LYS 95 1HZ LYS 95 1.165 25.719 -5.426 706 2HZ LYS 95 2HZ LYS 95 0.485 24.316 -6.101 707 3HZ LYS 95 3HZ LYS 95 2.172 24.470 -5.978 708 H LEU 96 H LEU 96 3.965 19.281 -6.866 709 HA LEU 96 HA LEU 96 1.689 19.354 -8.568 710 1HB LEU 96 2HB LEU 96 4.479 18.250 -8.979 711 2HB LEU 96 1HB LEU 96 3.277 18.318 -10.269 712 HG LEU 96 HG LEU 96 3.726 20.811 -8.698 713 1HD1 LEU 96 1HD1 LEU 96 5.785 19.452 -10.365 714 2HD1 LEU 96 2HD1 LEU 96 5.989 20.577 -9.022 715 3HD1 LEU 96 3HD1 LEU 96 5.571 21.183 -10.624 716 1HD2 LEU 96 1HD2 LEU 96 3.511 20.394 -11.686 717 2HD2 LEU 96 2HD2 LEU 96 3.138 21.848 -10.760 718 3HD2 LEU 96 3HD2 LEU 96 2.087 20.437 -10.645 719 H ILE 97 H ILE 97 3.591 16.550 -7.413 720 HA ILE 97 HA ILE 97 2.098 14.525 -8.695 721 HB ILE 97 HB ILE 97 3.661 14.623 -6.123 722 1HG1 ILE 97 2HG1 ILE 97 3.998 12.980 -8.651 723 2HG1 ILE 97 1HG1 ILE 97 4.760 14.550 -8.395 724 1HG2 ILE 97 1HG2 ILE 97 3.297 11.985 -6.385 725 2HG2 ILE 97 2HG2 ILE 97 1.757 12.522 -7.058 726 3HG2 ILE 97 3HG2 ILE 97 2.207 12.977 -5.415 727 1HD1 ILE 97 1HD1 ILE 97 5.572 11.952 -7.409 728 2HD1 ILE 97 2HD1 ILE 97 5.310 13.066 -6.067 729 3HD1 ILE 97 3HD1 ILE 97 6.445 13.483 -7.350 730 H ASP 98 H ASP 98 1.332 16.457 -5.869 731 HA ASP 98 HA ASP 98 -0.793 14.788 -4.872 732 1HB ASP 98 2HB ASP 98 0.471 16.969 -3.895 733 2HB ASP 98 1HB ASP 98 -0.994 17.732 -4.512 734 H GLU 99 H GLU 99 -0.839 17.735 -6.905 735 HA GLU 99 HA GLU 99 -3.625 17.834 -7.355 736 1HB GLU 99 2HB GLU 99 -1.613 18.476 -9.511 737 2HB GLU 99 1HB GLU 99 -3.150 19.273 -9.173 738 1HG GLU 99 2HG GLU 99 -2.216 20.038 -6.981 739 2HG GLU 99 1HG GLU 99 -0.659 19.351 -7.448 740 H GLN 100 H GLN 100 -1.145 15.842 -8.897 741 HA GLN 100 HA GLN 100 -2.844 14.857 -11.011 742 1HB GLN 100 2HB GLN 100 -0.247 13.951 -9.786 743 2HB GLN 100 1HB GLN 100 -1.080 12.933 -10.963 744 1HG GLN 100 2HG GLN 100 -0.952 14.616 -12.653 745 2HG GLN 100 1HG GLN 100 -0.467 15.848 -11.488 746 1HE2 GLN 100 1HE2 GLN 100 1.007 12.792 -10.900 747 2HE2 GLN 100 2HE2 GLN 100 2.518 13.137 -11.592 748 H VAL 101 H VAL 101 -1.547 12.984 -8.248 749 HA VAL 101 HA VAL 101 -3.234 10.803 -8.348 750 HB VAL 101 HB VAL 101 -2.260 12.305 -5.903 751 1HG1 VAL 101 1HG1 VAL 101 -3.661 9.633 -6.167 752 2HG1 VAL 101 2HG1 VAL 101 -4.144 11.008 -5.174 753 3HG1 VAL 101 3HG1 VAL 101 -2.706 10.078 -4.753 754 1HG2 VAL 101 1HG2 VAL 101 -0.792 10.998 -7.745 755 2HG2 VAL 101 2HG2 VAL 101 -1.257 9.625 -6.742 756 3HG2 VAL 101 3HG2 VAL 101 -0.382 10.980 -6.029 757 H GLU 102 H GLU 102 -3.991 13.942 -6.821 758 HA GLU 102 HA GLU 102 -6.542 13.275 -5.807 759 1HB GLU 102 2HB GLU 102 -5.038 15.564 -5.897 760 2HB GLU 102 1HB GLU 102 -6.340 15.961 -7.018 761 1HG GLU 102 2HG GLU 102 -8.016 15.574 -5.360 762 2HG GLU 102 1HG GLU 102 -6.863 14.802 -4.273 763 H LYS 103 H LYS 103 -5.647 14.491 -9.045 764 HA LYS 103 HA LYS 103 -8.302 14.594 -10.086 765 1HB LYS 103 2HB LYS 103 -5.998 15.409 -11.088 766 2HB LYS 103 1HB LYS 103 -5.993 13.810 -11.834 767 1HG LYS 103 2HG LYS 103 -7.090 15.161 -13.428 768 2HG LYS 103 1HG LYS 103 -8.413 14.371 -12.570 769 1HD LYS 103 2HD LYS 103 -7.917 16.632 -11.036 770 2HD LYS 103 1HD LYS 103 -7.714 17.209 -12.690 771 1HE LYS 103 2HE LYS 103 -9.908 16.363 -13.309 772 2HE LYS 103 1HE LYS 103 -10.109 15.624 -11.721 773 1HZ LYS 103 1HZ LYS 103 -9.485 18.253 -11.229 774 2HZ LYS 103 2HZ LYS 103 -11.012 17.526 -11.079 775 3HZ LYS 103 3HZ LYS 103 -10.579 18.309 -12.524 776 H LEU 104 H LEU 104 -5.829 12.018 -10.430 777 HA LEU 104 HA LEU 104 -7.527 10.150 -11.739 778 1HB LEU 104 2HB LEU 104 -5.214 9.604 -9.851 779 2HB LEU 104 1HB LEU 104 -5.914 8.439 -10.976 780 HG LEU 104 HG LEU 104 -4.762 11.098 -11.853 781 1HD1 LEU 104 1HD1 LEU 104 -3.470 8.362 -11.680 782 2HD1 LEU 104 2HD1 LEU 104 -2.940 9.844 -10.882 783 3HD1 LEU 104 3HD1 LEU 104 -2.815 9.692 -12.634 784 1HD2 LEU 104 1HD2 LEU 104 -5.698 10.501 -13.816 785 2HD2 LEU 104 2HD2 LEU 104 -6.243 8.970 -13.131 786 3HD2 LEU 104 3HD2 LEU 104 -4.637 9.093 -13.849 787 H VAL 105 H VAL 105 -7.487 11.255 -8.484 788 HA VAL 105 HA VAL 105 -8.809 8.883 -7.373 789 HB VAL 105 HB VAL 105 -7.972 11.571 -6.335 790 1HG1 VAL 105 1HG1 VAL 105 -10.043 11.613 -5.290 791 2HG1 VAL 105 2HG1 VAL 105 -9.130 10.645 -4.133 792 3HG1 VAL 105 3HG1 VAL 105 -10.198 9.857 -5.294 793 1HG2 VAL 105 1HG2 VAL 105 -7.694 8.838 -5.075 794 2HG2 VAL 105 2HG2 VAL 105 -6.701 10.272 -4.811 795 3HG2 VAL 105 3HG2 VAL 105 -6.587 9.388 -6.332 796 H ASN 106 H ASN 106 -9.871 12.303 -7.392 797 HA ASN 106 HA ASN 106 -12.601 11.840 -7.031 798 1HB ASN 106 2HB ASN 106 -11.022 13.999 -8.364 799 2HB ASN 106 1HB ASN 106 -12.765 13.976 -8.634 800 1HD2 ASN 106 1HD2 ASN 106 -10.260 14.501 -6.214 801 2HD2 ASN 106 2HD2 ASN 106 -11.301 15.030 -4.982 802 H LEU 107 H LEU 107 -10.695 11.558 -9.984 803 HA LEU 107 HA LEU 107 -12.998 11.206 -11.724 804 1HB LEU 107 2HB LEU 107 -10.818 11.982 -12.593 805 2HB LEU 107 1HB LEU 107 -10.090 10.442 -12.140 806 HG LEU 107 HG LEU 107 -12.294 9.655 -13.612 807 1HD1 LEU 107 1HD1 LEU 107 -12.135 11.009 -15.703 808 2HD1 LEU 107 2HD1 LEU 107 -11.073 12.137 -14.859 809 3HD1 LEU 107 3HD1 LEU 107 -12.747 11.942 -14.338 810 1HD2 LEU 107 1HD2 LEU 107 -10.624 9.103 -15.350 811 2HD2 LEU 107 2HD2 LEU 107 -10.001 8.739 -13.740 812 3HD2 LEU 107 3HD2 LEU 107 -9.468 10.192 -14.584 813 H ALA 108 H ALA 108 -10.443 8.894 -10.716 814 HA ALA 108 HA ALA 108 -11.513 6.521 -11.594 815 1HB ALA 108 1HB ALA 108 -9.483 6.372 -10.382 816 2HB ALA 108 2HB ALA 108 -10.650 5.524 -9.368 817 3HB ALA 108 3HB ALA 108 -10.169 7.173 -8.969 818 H GLU 109 H GLU 109 -12.540 8.287 -8.672 819 HA GLU 109 HA GLU 109 -14.622 6.331 -8.062 820 1HB GLU 109 2HB GLU 109 -13.563 8.810 -6.863 821 2HB GLU 109 1HB GLU 109 -15.300 8.587 -6.651 822 1HG GLU 109 2HG GLU 109 -13.384 6.324 -6.112 823 2HG GLU 109 1HG GLU 109 -13.709 7.543 -4.879 824 H LYS 110 H LYS 110 -14.367 9.303 -9.895 825 HA LYS 110 HA LYS 110 -17.093 10.058 -10.014 826 1HB LYS 110 2HB LYS 110 -15.106 11.317 -10.982 827 2HB LYS 110 1HB LYS 110 -15.161 10.197 -12.343 828 1HG LYS 110 2HG LYS 110 -16.548 11.824 -13.192 829 2HG LYS 110 1HG LYS 110 -17.753 10.904 -12.290 830 1HD LYS 110 2HD LYS 110 -17.194 12.429 -10.301 831 2HD LYS 110 1HD LYS 110 -16.359 13.456 -11.468 832 1HE LYS 110 2HE LYS 110 -18.407 14.424 -11.711 833 2HE LYS 110 1HE LYS 110 -18.724 13.043 -12.760 834 1HZ LYS 110 1HZ LYS 110 -19.393 11.892 -10.575 835 2HZ LYS 110 2HZ LYS 110 -20.480 12.985 -11.290 836 3HZ LYS 110 3HZ LYS 110 -19.537 13.467 -9.961 837 H PHE 111 H PHE 111 -15.332 7.518 -11.717 838 HA PHE 111 HA PHE 111 -17.798 6.829 -13.231 839 1HB PHE 111 2HB PHE 111 -14.888 6.177 -13.523 840 2HB PHE 111 1HB PHE 111 -16.075 5.048 -14.176 841 HD1 PHE 111 HD1 PHE 111 -14.094 7.761 -15.020 842 HD2 PHE 111 HD2 PHE 111 -18.142 6.375 -15.401 843 HE1 PHE 111 HE1 PHE 111 -14.416 9.242 -16.983 844 HE2 PHE 111 HE2 PHE 111 -18.464 7.855 -17.364 845 HZ PHE 111 HZ PHE 111 -16.600 9.289 -18.156 846 H ASP 112 H ASP 112 -15.276 4.709 -11.863 847 HA ASP 112 HA ASP 112 -16.662 3.621 -9.700 848 1HB ASP 112 2HB ASP 112 -17.750 2.766 -12.304 849 2HB ASP 112 1HB ASP 112 -17.371 1.440 -11.203 850 H ILE 113 H ILE 113 -13.969 3.997 -10.859 851 HA ILE 113 HA ILE 113 -13.001 1.170 -10.725 852 HB ILE 113 HB ILE 113 -10.981 1.983 -11.919 853 1HG1 ILE 113 2HG1 ILE 113 -12.537 4.590 -11.996 854 2HG1 ILE 113 1HG1 ILE 113 -11.007 4.310 -11.163 855 1HG2 ILE 113 1HG2 ILE 113 -13.489 1.475 -12.959 856 2HG2 ILE 113 2HG2 ILE 113 -12.008 1.620 -13.907 857 3HG2 ILE 113 3HG2 ILE 113 -13.069 3.015 -13.709 858 1HD1 ILE 113 1HD1 ILE 113 -11.401 5.094 -13.874 859 2HD1 ILE 113 2HD1 ILE 113 -10.718 3.468 -13.888 860 3HD1 ILE 113 3HD1 ILE 113 -9.875 4.771 -13.050 861 H ILE 114 H ILE 114 -11.283 0.720 -9.285 862 HA ILE 114 HA ILE 114 -10.940 2.761 -7.158 863 HB ILE 114 HB ILE 114 -11.554 0.683 -6.224 864 1HG1 ILE 114 2HG1 ILE 114 -9.613 -0.012 -4.950 865 2HG1 ILE 114 1HG1 ILE 114 -8.521 0.638 -6.174 866 1HG2 ILE 114 1HG2 ILE 114 -9.858 -0.391 -8.428 867 2HG2 ILE 114 2HG2 ILE 114 -11.418 -0.957 -7.833 868 3HG2 ILE 114 3HG2 ILE 114 -9.942 -1.345 -6.947 869 1HD1 ILE 114 1HD1 ILE 114 -8.858 2.816 -5.518 870 2HD1 ILE 114 2HD1 ILE 114 -9.181 2.028 -3.973 871 3HD1 ILE 114 3HD1 ILE 114 -10.521 2.517 -5.011 872 H TYR 115 H TYR 115 -9.198 4.067 -7.388 873 HA TYR 115 HA TYR 115 -6.816 3.076 -8.849 874 1HB TYR 115 2HB TYR 115 -7.025 5.213 -9.617 875 2HB TYR 115 1HB TYR 115 -7.989 5.717 -8.232 876 HD1 TYR 115 HD1 TYR 115 -4.494 4.919 -9.290 877 HD2 TYR 115 HD2 TYR 115 -7.016 6.950 -6.466 878 HE1 TYR 115 HE1 TYR 115 -2.503 6.019 -8.303 879 HE2 TYR 115 HE2 TYR 115 -5.025 8.051 -5.479 880 HH TYR 115 HH TYR 115 -2.200 7.155 -5.568 881 H ASP 116 H ASP 116 -5.511 1.874 -7.517 882 HA ASP 116 HA ASP 116 -4.520 3.185 -5.051 883 1HB ASP 116 2HB ASP 116 -6.508 1.574 -4.577 884 2HB ASP 116 1HB ASP 116 -5.352 0.291 -4.935 885 H GLY 117 H GLY 117 -2.565 3.369 -6.351 886 1HA GLY 117 2HA GLY 117 -0.517 1.628 -5.878 887 2HA GLY 117 1HA GLY 117 -1.274 0.911 -7.301 888 H TRP 118 H TRP 118 0.584 3.629 -6.114 889 HA TRP 118 HA TRP 118 1.047 4.427 -8.956 890 1HB TRP 118 2HB TRP 118 0.721 6.659 -8.510 891 2HB TRP 118 1HB TRP 118 -0.354 6.001 -7.278 892 HD1 TRP 118 HD1 TRP 118 0.517 5.985 -4.755 893 HE1 TRP 118 HE1 TRP 118 2.335 7.373 -3.565 894 HE3 TRP 118 HE3 TRP 118 3.022 7.819 -8.810 895 HZ2 TRP 118 HZ2 TRP 118 4.559 9.042 -4.245 896 HZ3 TRP 118 HZ3 TRP 118 4.984 9.303 -8.511 897 HH2 TRP 118 HH2 TRP 118 5.754 9.916 -6.236 898 H GLY 119 H GLY 119 3.194 4.642 -9.498 899 1HA GLY 119 2HA GLY 119 5.225 5.022 -7.403 900 2HA GLY 119 1HA GLY 119 5.289 3.466 -8.231 901 H THR 120 H THR 120 7.169 5.837 -8.277 902 HA THR 120 HA THR 120 6.976 6.670 -11.116 903 HB THR 120 HB THR 120 7.542 8.505 -9.742 904 HG1 THR 120 HG1 THR 120 9.805 8.835 -10.213 905 1HG2 THR 120 1HG2 THR 120 9.776 7.950 -8.246 906 2HG2 THR 120 2HG2 THR 120 8.904 6.418 -8.176 907 3HG2 THR 120 3HG2 THR 120 8.123 7.904 -7.633 908 H TYR 121 H TYR 121 9.217 6.679 -12.281 909 HA TYR 121 HA TYR 121 10.481 4.009 -11.812 910 1HB TYR 121 2HB TYR 121 9.545 5.388 -14.226 911 2HB TYR 121 1HB TYR 121 11.197 4.789 -14.373 912 HD1 TYR 121 HD1 TYR 121 11.668 2.449 -14.520 913 HD2 TYR 121 HD2 TYR 121 7.702 3.803 -13.575 914 HE1 TYR 121 HE1 TYR 121 10.807 0.142 -14.824 915 HE2 TYR 121 HE2 TYR 121 6.841 1.496 -13.879 916 HH TYR 121 HH TYR 121 8.930 -1.101 -15.064 917 H TYR 122 H TYR 122 12.661 3.983 -11.400 918 HA TYR 122 HA TYR 122 14.068 6.304 -10.662 919 1HB TYR 122 2HB TYR 122 14.619 3.537 -10.796 920 2HB TYR 122 1HB TYR 122 15.904 4.329 -11.709 921 HD1 TYR 122 HD1 TYR 122 17.446 5.883 -10.639 922 HD2 TYR 122 HD2 TYR 122 14.271 4.032 -8.415 923 HE1 TYR 122 HE1 TYR 122 18.501 6.619 -8.519 924 HE2 TYR 122 HE2 TYR 122 15.328 4.766 -6.295 925 HH TYR 122 HH TYR 122 17.770 7.085 -6.169 926 H GLU 123 H GLU 123 16.218 6.978 -11.813 927 HA GLU 123 HA GLU 123 15.462 7.780 -14.551 928 1HB GLU 123 2HB GLU 123 16.459 9.350 -12.785 929 2HB GLU 123 1HB GLU 123 17.991 8.524 -13.073 930 1HG GLU 123 2HG GLU 123 17.982 9.162 -15.400 931 2HG GLU 123 1HG GLU 123 16.338 9.792 -15.273 932 H GLY 124 H GLY 124 15.748 5.333 -15.099 933 1HA GLY 124 2HA GLY 124 17.071 4.163 -16.759 934 2HA GLY 124 1HA GLY 124 18.499 5.023 -16.183 935 H LEU 125 H LEU 125 16.613 3.937 -13.596 936 HA LEU 125 HA LEU 125 17.170 2.365 -11.925 937 1HB LEU 125 2HB LEU 125 16.834 0.933 -14.510 938 2HB LEU 125 1HB LEU 125 17.574 0.016 -13.198 939 HG LEU 125 HG LEU 125 15.084 1.619 -12.683 940 1HD1 LEU 125 1HD1 LEU 125 13.960 -0.731 -13.091 941 2HD1 LEU 125 2HD1 LEU 125 15.342 -0.985 -14.158 942 3HD1 LEU 125 3HD1 LEU 125 14.236 0.357 -14.451 943 1HD2 LEU 125 1HD2 LEU 125 16.362 -0.872 -11.519 944 2HD2 LEU 125 2HD2 LEU 125 14.770 -0.281 -11.041 945 3HD2 LEU 125 3HD2 LEU 125 16.202 0.705 -10.746 946 H GLU 126 H GLU 126 19.334 3.719 -11.924 947 HA GLU 126 HA GLU 126 21.590 1.868 -12.587 948 1HB GLU 126 2HB GLU 126 22.633 4.433 -12.072 949 2HB GLU 126 1HB GLU 126 22.486 3.646 -13.644 950 1HG GLU 126 2HG GLU 126 20.159 4.523 -13.827 951 2HG GLU 126 1HG GLU 126 20.394 5.387 -12.306 952 H HIS 127 H HIS 127 22.324 0.878 -10.772 953 HA HIS 127 HA HIS 127 21.874 2.115 -8.136 954 1HB HIS 127 2HB HIS 127 22.976 -0.550 -9.046 955 2HB HIS 127 1HB HIS 127 23.032 -0.043 -7.357 956 HD2 HIS 127 HD2 HIS 127 21.056 -2.384 -7.322 957 HE1 HIS 127 HE1 HIS 127 17.885 0.221 -8.319 958 HE2 HIS 127 HE2 HIS 127 18.468 -2.078 -7.416 959 H HIS 128 H HIS 128 23.330 3.940 -8.365 960 HA HIS 128 HA HIS 128 25.442 5.005 -8.391 961 1HB HIS 128 2HB HIS 128 25.400 2.879 -6.327 962 2HB HIS 128 1HB HIS 128 26.999 3.497 -6.743 963 HD2 HIS 128 HD2 HIS 128 23.985 6.000 -6.824 964 HE1 HIS 128 HE1 HIS 128 26.347 6.928 -3.450 965 HE2 HIS 128 HE2 HIS 128 24.395 7.688 -4.880 966 H HIS 129 H HIS 129 27.146 2.066 -7.738 967 HA HIS 129 HA HIS 129 28.166 2.088 -10.552 968 1HB HIS 129 2HB HIS 129 29.708 1.060 -8.166 969 2HB HIS 129 1HB HIS 129 30.326 1.527 -9.750 970 HD2 HIS 129 HD2 HIS 129 30.922 3.047 -6.610 971 HE1 HIS 129 HE1 HIS 129 29.491 6.374 -8.781 972 HE2 HIS 129 HE2 HIS 129 30.745 5.647 -6.699 973 H HIS 130 H HIS 130 29.674 -0.432 -9.334 974 HA HIS 130 HA HIS 130 27.797 -2.352 -10.470 975 1HB HIS 130 2HB HIS 130 30.185 -2.716 -10.764 976 2HB HIS 130 1HB HIS 130 30.435 -2.715 -9.019 977 HD2 HIS 130 HD2 HIS 130 27.489 -4.764 -10.671 978 HE1 HIS 130 HE1 HIS 130 30.243 -7.493 -8.995 979 HE2 HIS 130 HE2 HIS 130 27.979 -7.266 -10.117 980 H HIS 131 H HIS 131 27.394 -0.773 -7.774 981 HA HIS 131 HA HIS 131 25.961 -1.295 -5.957 982 1HB HIS 131 2HB HIS 131 25.410 -3.370 -7.540 983 2HB HIS 131 1HB HIS 131 26.352 -4.236 -6.326 984 HD2 HIS 131 HD2 HIS 131 25.044 -4.611 -3.872 985 HE1 HIS 131 HE1 HIS 131 21.576 -2.381 -4.790 986 HE2 HIS 131 HE2 HIS 131 22.650 -3.930 -3.091 987 H HIS 132 HN HIS 132 28.720 -0.802 -5.708 988 HA HIS 132 HA HIS 132 29.270 -2.322 -3.228 989 1HB HIS 132 2HB HIS 132 30.428 -3.304 -5.411 990 2HB HIS 132 1HB HIS 132 31.558 -1.980 -5.127 991 HD2 HIS 132 HD2 HIS 132 30.925 -2.558 -1.659 992 HE1 HIS 132 HE1 HIS 132 33.394 -5.862 -2.570 993 HE2 HIS 132 HE2 HIS 132 32.422 -4.463 -0.691 Start of MODEL 5 1 1H MET 1 1H MET 1 -33.665 14.695 7.933 2 2H MET 1 2H MET 1 -32.651 13.566 8.697 3 3H MET 1 3H MET 1 -34.103 14.044 9.437 4 HA MET 1 HA MET 1 -35.345 12.627 8.258 5 1HB MET 1 2HB MET 1 -33.496 12.913 5.879 6 2HB MET 1 1HB MET 1 -35.177 12.375 5.888 7 1HG MET 1 2HG MET 1 -35.788 14.507 5.501 8 2HG MET 1 1HG MET 1 -35.197 14.910 7.113 9 1HE MET 1 1HE MET 1 -34.036 13.926 3.638 10 2HE MET 1 2HE MET 1 -33.038 15.273 3.098 11 3HE MET 1 3HE MET 1 -34.768 15.507 3.335 12 H SER 2 H SER 2 -33.438 11.713 9.992 13 HA SER 2 HA SER 2 -31.917 9.946 10.431 14 1HB SER 2 2HB SER 2 -33.353 8.086 8.689 15 2HB SER 2 1HB SER 2 -33.192 8.080 10.443 16 HG SER 2 HG SER 2 -34.706 10.134 9.834 17 H HIS 3 H HIS 3 -30.769 11.481 8.478 18 HA HIS 3 HA HIS 3 -29.789 9.457 6.502 19 1HB HIS 3 2HB HIS 3 -30.365 12.391 6.255 20 2HB HIS 3 1HB HIS 3 -29.079 11.691 5.271 21 HD2 HIS 3 HD2 HIS 3 -30.950 12.109 3.024 22 HE1 HIS 3 HE1 HIS 3 -33.360 8.812 4.100 23 HE2 HIS 3 HE2 HIS 3 -32.845 10.485 2.264 24 H GLN 4 H GLN 4 -28.389 9.013 8.550 25 HA GLN 4 HA GLN 4 -26.501 10.577 9.728 26 1HB GLN 4 2HB GLN 4 -26.729 7.993 9.757 27 2HB GLN 4 1HB GLN 4 -25.590 8.020 8.410 28 1HG GLN 4 2HG GLN 4 -24.339 9.706 10.135 29 2HG GLN 4 1HG GLN 4 -25.142 8.626 11.276 30 1HE2 GLN 4 1HE2 GLN 4 -22.245 8.702 10.819 31 2HE2 GLN 4 2HE2 GLN 4 -21.801 7.183 10.205 32 H ASP 5 H ASP 5 -24.817 11.865 9.099 33 HA ASP 5 HA ASP 5 -24.340 12.249 6.240 34 1HB ASP 5 2HB ASP 5 -22.396 13.607 7.855 35 2HB ASP 5 1HB ASP 5 -23.748 14.299 6.958 36 H ASP 6 H ASP 6 -23.269 10.467 5.391 37 HA ASP 6 HA ASP 6 -20.438 10.198 6.071 38 1HB ASP 6 2HB ASP 6 -22.093 8.629 7.564 39 2HB ASP 6 1HB ASP 6 -21.810 7.576 6.179 40 H TYR 7 H TYR 7 -19.576 10.171 4.051 41 HA TYR 7 HA TYR 7 -20.629 8.229 2.087 42 1HB TYR 7 2HB TYR 7 -21.238 11.029 1.968 43 2HB TYR 7 1HB TYR 7 -20.155 10.642 0.633 44 HD1 TYR 7 HD1 TYR 7 -20.730 8.272 -0.538 45 HD2 TYR 7 HD2 TYR 7 -23.515 10.762 1.585 46 HE1 TYR 7 HE1 TYR 7 -22.610 7.210 -1.757 47 HE2 TYR 7 HE2 TYR 7 -25.394 9.698 0.365 48 HH TYR 7 HH TYR 7 -25.795 8.482 -1.692 49 H LEU 8 H LEU 8 -18.406 7.495 2.986 50 HA LEU 8 HA LEU 8 -16.110 7.171 2.612 51 1HB LEU 8 2HB LEU 8 -17.325 7.868 0.024 52 2HB LEU 8 1HB LEU 8 -15.594 8.193 0.104 53 HG LEU 8 HG LEU 8 -16.773 5.568 1.029 54 1HD1 LEU 8 1HD1 LEU 8 -17.370 5.977 -1.358 55 2HD1 LEU 8 2HD1 LEU 8 -16.233 4.642 -1.168 56 3HD1 LEU 8 3HD1 LEU 8 -15.660 6.215 -1.719 57 1HD2 LEU 8 1HD2 LEU 8 -14.124 6.774 0.867 58 2HD2 LEU 8 2HD2 LEU 8 -14.194 5.258 -0.030 59 3HD2 LEU 8 3HD2 LEU 8 -14.626 5.292 1.679 60 H SER 9 H SER 9 -14.081 8.334 2.599 61 HA SER 9 HA SER 9 -14.417 11.302 2.784 62 1HB SER 9 2HB SER 9 -13.397 9.400 4.720 63 2HB SER 9 1HB SER 9 -12.152 10.570 4.295 64 HG SER 9 HG SER 9 -13.561 11.254 6.011 65 H VAL 10 H VAL 10 -13.845 10.992 0.386 66 HA VAL 10 HA VAL 10 -11.480 10.021 -0.657 67 HB VAL 10 HB VAL 10 -12.978 12.569 -1.269 68 1HG1 VAL 10 1HG1 VAL 10 -11.486 12.374 -3.446 69 2HG1 VAL 10 2HG1 VAL 10 -10.355 11.586 -2.346 70 3HG1 VAL 10 3HG1 VAL 10 -10.885 13.240 -2.033 71 1HG2 VAL 10 1HG2 VAL 10 -13.699 10.078 -1.804 72 2HG2 VAL 10 2HG2 VAL 10 -12.534 10.245 -3.118 73 3HG2 VAL 10 3HG2 VAL 10 -13.913 11.340 -3.016 74 H GLU 11 H GLU 11 -11.810 12.472 1.717 75 HA GLU 11 HA GLU 11 -9.322 13.864 1.229 76 1HB GLU 11 2HB GLU 11 -11.358 14.596 2.675 77 2HB GLU 11 1HB GLU 11 -10.617 13.614 3.940 78 1HG GLU 11 2HG GLU 11 -9.746 15.801 4.272 79 2HG GLU 11 1HG GLU 11 -8.455 14.912 3.462 80 H GLU 12 H GLU 12 -10.247 11.383 3.654 81 HA GLU 12 HA GLU 12 -7.751 11.008 4.853 82 1HB GLU 12 2HB GLU 12 -8.533 8.915 5.596 83 2HB GLU 12 1HB GLU 12 -10.020 9.822 5.316 84 1HG GLU 12 2HG GLU 12 -10.111 8.820 3.009 85 2HG GLU 12 1HG GLU 12 -8.744 7.799 3.455 86 H LEU 13 H LEU 13 -8.912 9.742 1.750 87 HA LEU 13 HA LEU 13 -6.667 8.031 1.240 88 1HB LEU 13 2HB LEU 13 -8.335 9.493 -0.827 89 2HB LEU 13 1HB LEU 13 -7.436 7.991 -1.049 90 HG LEU 13 HG LEU 13 -9.737 8.329 0.897 91 1HD1 LEU 13 1HD1 LEU 13 -9.918 8.237 -1.858 92 2HD1 LEU 13 2HD1 LEU 13 -11.187 7.732 -0.741 93 3HD1 LEU 13 3HD1 LEU 13 -10.073 6.538 -1.409 94 1HD2 LEU 13 1HD2 LEU 13 -9.612 5.771 0.767 95 2HD2 LEU 13 2HD2 LEU 13 -8.301 6.569 1.636 96 3HD2 LEU 13 3HD2 LEU 13 -8.045 5.990 -0.011 97 H ILE 14 H ILE 14 -7.352 11.395 0.232 98 HA ILE 14 HA ILE 14 -4.928 11.826 -1.182 99 HB ILE 14 HB ILE 14 -6.763 13.691 0.330 100 1HG1 ILE 14 2HG1 ILE 14 -6.165 13.542 -2.630 101 2HG1 ILE 14 1HG1 ILE 14 -7.401 12.533 -1.879 102 1HG2 ILE 14 1HG2 ILE 14 -4.938 15.065 0.429 103 2HG2 ILE 14 2HG2 ILE 14 -5.326 15.346 -1.268 104 3HG2 ILE 14 3HG2 ILE 14 -4.077 14.181 -0.831 105 1HD1 ILE 14 1HD1 ILE 14 -7.625 15.316 -1.042 106 2HD1 ILE 14 2HD1 ILE 14 -8.850 14.257 -1.741 107 3HD1 ILE 14 3HD1 ILE 14 -7.748 15.146 -2.793 108 H GLU 15 H GLU 15 -5.701 12.313 2.265 109 HA GLU 15 HA GLU 15 -3.230 13.432 3.070 110 1HB GLU 15 2HB GLU 15 -5.442 12.946 4.418 111 2HB GLU 15 1HB GLU 15 -4.632 11.430 4.816 112 1HG GLU 15 2HG GLU 15 -2.759 12.595 5.786 113 2HG GLU 15 1HG GLU 15 -3.353 14.148 5.198 114 H ILE 16 H ILE 16 -4.144 9.997 3.544 115 HA ILE 16 HA ILE 16 -1.619 8.988 4.145 116 HB ILE 16 HB ILE 16 -4.025 7.844 2.780 117 1HG1 ILE 16 2HG1 ILE 16 -4.071 6.438 4.728 118 2HG1 ILE 16 1HG1 ILE 16 -2.416 6.872 5.155 119 1HG2 ILE 16 1HG2 ILE 16 -1.257 6.661 2.772 120 2HG2 ILE 16 2HG2 ILE 16 -2.451 6.691 1.475 121 3HG2 ILE 16 3HG2 ILE 16 -2.670 5.610 2.851 122 1HD1 ILE 16 1HD1 ILE 16 -3.018 8.990 5.908 123 2HD1 ILE 16 2HD1 ILE 16 -4.442 8.053 6.366 124 3HD1 ILE 16 3HD1 ILE 16 -4.471 9.044 4.908 125 H GLN 17 H GLN 17 -3.009 9.504 0.901 126 HA GLN 17 HA GLN 17 -0.885 8.469 -0.636 127 1HB GLN 17 2HB GLN 17 -3.206 10.071 -1.088 128 2HB GLN 17 1HB GLN 17 -1.849 10.854 -1.896 129 1HG GLN 17 2HG GLN 17 -2.307 7.886 -2.178 130 2HG GLN 17 1HG GLN 17 -3.162 9.037 -3.204 131 1HE2 GLN 17 1HE2 GLN 17 -1.179 10.983 -3.639 132 2HE2 GLN 17 2HE2 GLN 17 0.124 10.287 -4.475 133 H LYS 18 H LYS 18 -1.269 11.728 0.756 134 HA LYS 18 HA LYS 18 1.098 12.848 -0.374 135 1HB LYS 18 2HB LYS 18 -0.504 13.464 2.108 136 2HB LYS 18 1HB LYS 18 0.966 14.361 1.723 137 1HG LYS 18 2HG LYS 18 0.026 14.934 -0.495 138 2HG LYS 18 1HG LYS 18 -1.454 14.069 -0.081 139 1HD LYS 18 2HD LYS 18 -1.884 15.595 1.768 140 2HD LYS 18 1HD LYS 18 -0.346 16.413 1.491 141 1HE LYS 18 2HE LYS 18 -2.786 16.391 -0.291 142 2HE LYS 18 1HE LYS 18 -1.979 17.783 0.429 143 1HZ LYS 18 1HZ LYS 18 -1.296 16.271 -1.946 144 2HZ LYS 18 2HZ LYS 18 0.020 16.688 -0.955 145 3HZ LYS 18 3HZ LYS 18 -1.000 17.899 -1.572 146 H GLU 19 H GLU 19 0.570 10.955 2.581 147 HA GLU 19 HA GLU 19 3.177 11.297 3.693 148 1HB GLU 19 2HB GLU 19 1.052 10.188 4.718 149 2HB GLU 19 1HB GLU 19 1.637 8.719 3.934 150 1HG GLU 19 2HG GLU 19 3.815 8.988 5.091 151 2HG GLU 19 1HG GLU 19 3.187 10.419 5.910 152 H GLU 20 H GLU 20 1.932 8.484 1.846 153 HA GLU 20 HA GLU 20 4.326 7.103 1.503 154 1HB GLU 20 2HB GLU 20 1.941 6.527 0.654 155 2HB GLU 20 1HB GLU 20 2.394 7.428 -0.792 156 1HG GLU 20 2HG GLU 20 3.500 5.629 -1.561 157 2HG GLU 20 1HG GLU 20 4.563 5.689 -0.156 158 H THR 21 H THR 21 3.209 9.990 -0.197 159 HA THR 21 HA THR 21 5.266 9.982 -2.213 160 HB THR 21 HB THR 21 4.019 12.503 -1.139 161 HG1 THR 21 HG1 THR 21 2.218 11.382 -1.345 162 1HG2 THR 21 1HG2 THR 21 4.996 11.477 -3.800 163 2HG2 THR 21 2HG2 THR 21 5.493 12.929 -2.929 164 3HG2 THR 21 3HG2 THR 21 3.908 12.862 -3.701 165 H ARG 22 H ARG 22 4.940 11.997 0.732 166 HA ARG 22 HA ARG 22 7.405 13.258 0.727 167 1HB ARG 22 2HB ARG 22 5.626 12.243 2.900 168 2HB ARG 22 1HB ARG 22 7.247 12.775 3.351 169 1HG ARG 22 2HG ARG 22 5.767 14.562 1.501 170 2HG ARG 22 1HG ARG 22 5.138 14.466 3.146 171 1HD ARG 22 2HD ARG 22 8.029 15.047 2.439 172 2HD ARG 22 1HD ARG 22 6.840 16.270 2.887 173 HE ARG 22 HE ARG 22 6.758 14.455 4.984 174 1HH1 ARG 22 1HH2 ARG 22 9.175 16.284 3.338 175 2HH1 ARG 22 2HH2 ARG 22 10.192 16.440 4.731 176 1HH2 ARG 22 2HH1 ARG 22 8.071 14.648 6.809 177 2HH2 ARG 22 1HH1 ARG 22 9.568 15.514 6.697 178 H ASP 23 H ASP 23 6.743 9.952 1.913 179 HA ASP 23 HA ASP 23 9.410 9.398 2.775 180 1HB ASP 23 2HB ASP 23 7.198 7.575 1.797 181 2HB ASP 23 1HB ASP 23 8.720 6.982 2.464 182 H ILE 24 H ILE 24 7.799 8.745 -0.348 183 HA ILE 24 HA ILE 24 10.079 7.521 -1.575 184 HB ILE 24 HB ILE 24 7.640 8.912 -2.695 185 1HG1 ILE 24 2HG1 ILE 24 8.523 6.014 -2.800 186 2HG1 ILE 24 1HG1 ILE 24 7.471 6.661 -1.541 187 1HG2 ILE 24 1HG2 ILE 24 10.136 8.072 -4.036 188 2HG2 ILE 24 2HG2 ILE 24 8.889 9.197 -4.578 189 3HG2 ILE 24 3HG2 ILE 24 8.658 7.460 -4.777 190 1HD1 ILE 24 1HD1 ILE 24 6.497 7.483 -4.128 191 2HD1 ILE 24 2HD1 ILE 24 5.683 6.514 -2.899 192 3HD1 ILE 24 3HD1 ILE 24 6.708 5.732 -4.104 193 H ILE 25 H ILE 25 8.804 10.854 -1.952 194 HA ILE 25 HA ILE 25 10.860 11.887 -3.554 195 HB ILE 25 HB ILE 25 9.508 13.360 -1.275 196 1HG1 ILE 25 2HG1 ILE 25 7.767 12.345 -2.576 197 2HG1 ILE 25 1HG1 ILE 25 7.884 14.015 -3.130 198 1HG2 ILE 25 1HG2 ILE 25 10.712 15.100 -2.044 199 2HG2 ILE 25 2HG2 ILE 25 9.847 14.965 -3.575 200 3HG2 ILE 25 3HG2 ILE 25 11.376 14.116 -3.348 201 1HD1 ILE 25 1HD1 ILE 25 9.549 13.080 -4.893 202 2HD1 ILE 25 2HD1 ILE 25 7.826 12.790 -5.139 203 3HD1 ILE 25 3HD1 ILE 25 8.854 11.510 -4.493 204 H GLN 26 H GLN 26 10.881 11.165 -0.116 205 HA GLN 26 HA GLN 26 13.250 12.643 0.556 206 1HB GLN 26 2HB GLN 26 11.701 10.400 1.779 207 2HB GLN 26 1HB GLN 26 13.342 10.680 2.361 208 1HG GLN 26 2HG GLN 26 11.179 12.799 2.201 209 2HG GLN 26 1HG GLN 26 11.651 11.951 3.674 210 1HE2 GLN 26 1HE2 GLN 26 14.278 12.009 3.902 211 2HE2 GLN 26 2HE2 GLN 26 14.945 13.556 3.703 212 H ALA 27 H ALA 27 12.874 9.115 0.037 213 HA ALA 27 HA ALA 27 15.567 8.401 0.036 214 1HB ALA 27 1HB ALA 27 13.397 7.335 -1.797 215 2HB ALA 27 2HB ALA 27 13.756 6.754 -0.170 216 3HB ALA 27 3HB ALA 27 14.932 6.533 -1.465 217 H LEU 28 H LEU 28 13.683 9.586 -2.764 218 HA LEU 28 HA LEU 28 15.856 9.474 -4.623 219 1HB LEU 28 2HB LEU 28 13.254 10.976 -4.510 220 2HB LEU 28 1HB LEU 28 14.428 11.346 -5.774 221 HG LEU 28 HG LEU 28 13.934 8.465 -5.343 222 1HD1 LEU 28 1HD1 LEU 28 11.653 9.319 -5.035 223 2HD1 LEU 28 2HD1 LEU 28 11.793 8.524 -6.603 224 3HD1 LEU 28 3HD1 LEU 28 11.800 10.285 -6.503 225 1HD2 LEU 28 1HD2 LEU 28 15.276 9.768 -7.187 226 2HD2 LEU 28 2HD2 LEU 28 13.690 10.004 -7.917 227 3HD2 LEU 28 3HD2 LEU 28 14.305 8.373 -7.656 228 H LEU 29 H LEU 29 14.428 12.478 -3.290 229 HA LEU 29 HA LEU 29 16.407 14.272 -3.942 230 1HB LEU 29 2HB LEU 29 14.250 14.299 -2.210 231 2HB LEU 29 1HB LEU 29 15.616 14.579 -1.132 232 HG LEU 29 HG LEU 29 14.724 16.707 -2.018 233 1HD1 LEU 29 1HD1 LEU 29 17.202 16.317 -1.556 234 2HD1 LEU 29 2HD1 LEU 29 16.828 17.655 -2.642 235 3HD1 LEU 29 3HD1 LEU 29 17.403 16.122 -3.297 236 1HD2 LEU 29 1HD2 LEU 29 14.239 17.024 -4.211 237 2HD2 LEU 29 2HD2 LEU 29 14.370 15.271 -4.358 238 3HD2 LEU 29 3HD2 LEU 29 15.756 16.294 -4.737 239 H GLU 30 H GLU 30 16.524 11.916 -1.295 240 HA GLU 30 HA GLU 30 18.919 12.820 -0.062 241 1HB GLU 30 2HB GLU 30 17.185 10.774 0.413 242 2HB GLU 30 1HB GLU 30 18.558 9.886 -0.246 243 1HG GLU 30 2HG GLU 30 19.089 9.979 2.031 244 2HG GLU 30 1HG GLU 30 19.966 11.369 1.392 245 H ASP 31 H ASP 31 18.499 10.335 -2.610 246 HA ASP 31 HA ASP 31 21.231 9.766 -3.027 247 1HB ASP 31 2HB ASP 31 18.756 9.244 -4.370 248 2HB ASP 31 1HB ASP 31 19.926 9.793 -5.570 249 H GLY 32 H GLY 32 19.313 12.526 -4.042 250 1HA GLY 32 2HA GLY 32 20.581 14.643 -4.400 251 2HA GLY 32 1HA GLY 32 21.792 13.685 -5.253 252 H SER 33 H SER 33 18.591 12.682 -5.861 253 HA SER 33 HA SER 33 18.657 13.008 -8.626 254 1HB SER 33 2HB SER 33 16.893 11.751 -7.413 255 2HB SER 33 1HB SER 33 16.207 13.274 -6.855 256 HG SER 33 HG SER 33 16.355 13.676 -9.340 257 H ASP 34 H ASP 34 18.120 14.673 -10.059 258 HA ASP 34 HA ASP 34 17.838 17.369 -8.809 259 1HB ASP 34 2HB ASP 34 19.163 16.348 -11.281 260 2HB ASP 34 1HB ASP 34 18.447 17.958 -11.358 261 HA PRO 35 HA PRO 35 13.725 17.590 -10.423 262 1HB PRO 35 2HB PRO 35 13.464 20.315 -10.615 263 2HB PRO 35 1HB PRO 35 13.387 19.426 -9.081 264 1HG PRO 35 2HG PRO 35 15.626 20.985 -10.256 265 2HG PRO 35 1HG PRO 35 15.116 20.834 -8.567 266 1HD PRO 35 2HD PRO 35 17.263 19.481 -9.615 267 2HD PRO 35 1HD PRO 35 16.308 18.885 -8.241 268 H ASP 36 H ASP 36 16.413 18.946 -12.151 269 HA ASP 36 HA ASP 36 14.798 19.569 -14.541 270 1HB ASP 36 2HB ASP 36 17.692 19.857 -13.778 271 2HB ASP 36 1HB ASP 36 17.227 19.926 -15.478 272 H ALA 37 H ALA 37 15.662 16.758 -13.226 273 HA ALA 37 HA ALA 37 16.782 15.487 -15.646 274 1HB ALA 37 1HB ALA 37 15.895 14.033 -13.159 275 2HB ALA 37 2HB ALA 37 17.414 14.928 -13.190 276 3HB ALA 37 3HB ALA 37 17.160 13.586 -14.306 277 H LEU 38 H LEU 38 13.721 16.221 -14.391 278 HA LEU 38 HA LEU 38 11.572 15.615 -15.121 279 1HB LEU 38 2HB LEU 38 12.986 15.643 -17.372 280 2HB LEU 38 1HB LEU 38 12.726 13.902 -17.289 281 HG LEU 38 HG LEU 38 10.254 14.405 -16.950 282 1HD1 LEU 38 1HD1 LEU 38 9.880 16.593 -16.437 283 2HD1 LEU 38 2HD1 LEU 38 9.937 16.828 -18.184 284 3HD1 LEU 38 3HD1 LEU 38 11.373 17.128 -17.207 285 1HD2 LEU 38 1HD2 LEU 38 11.441 15.418 -19.552 286 2HD2 LEU 38 2HD2 LEU 38 9.855 14.681 -19.324 287 3HD2 LEU 38 3HD2 LEU 38 11.313 13.709 -19.133 288 H TYR 39 H TYR 39 10.183 13.967 -14.514 289 HA TYR 39 HA TYR 39 11.368 11.258 -14.101 290 1HB TYR 39 2HB TYR 39 10.128 13.080 -12.107 291 2HB TYR 39 1HB TYR 39 9.639 11.388 -12.021 292 HD1 TYR 39 HD1 TYR 39 12.428 13.755 -11.674 293 HD2 TYR 39 HD2 TYR 39 11.276 9.617 -11.558 294 HE1 TYR 39 HE1 TYR 39 14.576 13.186 -10.571 295 HE2 TYR 39 HE2 TYR 39 13.424 9.051 -10.456 296 HH TYR 39 HH TYR 39 15.795 11.587 -9.643 297 H GLU 40 H GLU 40 9.891 9.541 -14.423 298 HA GLU 40 HA GLU 40 7.340 10.363 -15.732 299 1HB GLU 40 2HB GLU 40 9.088 7.912 -15.943 300 2HB GLU 40 1HB GLU 40 7.413 7.885 -16.497 301 1HG GLU 40 2HG GLU 40 7.837 9.256 -18.278 302 2HG GLU 40 1HG GLU 40 9.030 10.206 -17.391 303 H ILE 41 H ILE 41 5.509 10.097 -14.563 304 HA ILE 41 HA ILE 41 5.597 8.436 -12.117 305 HB ILE 41 HB ILE 41 3.115 9.860 -12.981 306 1HG1 ILE 41 2HG1 ILE 41 5.019 11.412 -13.530 307 2HG1 ILE 41 1HG1 ILE 41 3.967 12.017 -12.253 308 1HG2 ILE 41 1HG2 ILE 41 3.190 10.443 -10.507 309 2HG2 ILE 41 2HG2 ILE 41 4.609 9.403 -10.388 310 3HG2 ILE 41 3HG2 ILE 41 3.055 8.724 -10.870 311 1HD1 ILE 41 1HD1 ILE 41 6.393 10.389 -11.542 312 2HD1 ILE 41 2HD1 ILE 41 5.535 11.583 -10.570 313 3HD1 ILE 41 3HD1 ILE 41 6.559 12.106 -11.907 314 H GLU 42 H GLU 42 4.804 6.398 -12.089 315 HA GLU 42 HA GLU 42 3.121 5.521 -14.394 316 1HB GLU 42 2HB GLU 42 5.283 4.310 -13.974 317 2HB GLU 42 1HB GLU 42 4.645 3.811 -12.407 318 1HG GLU 42 2HG GLU 42 3.583 2.091 -13.392 319 2HG GLU 42 1HG GLU 42 2.656 3.229 -14.369 320 H HIS 43 H HIS 43 0.980 5.432 -13.920 321 HA HIS 43 HA HIS 43 0.199 4.823 -11.099 322 1HB HIS 43 2HB HIS 43 -1.223 6.347 -13.297 323 2HB HIS 43 1HB HIS 43 -2.018 5.855 -11.801 324 HD2 HIS 43 HD2 HIS 43 1.548 7.599 -12.277 325 HE1 HIS 43 HE1 HIS 43 -0.705 9.763 -9.435 326 HE2 HIS 43 HE2 HIS 43 1.533 9.613 -10.619 327 H HIS 44 H HIS 44 -1.097 3.051 -10.719 328 HA HIS 44 HA HIS 44 -1.850 1.427 -13.115 329 1HB HIS 44 2HB HIS 44 -1.125 0.630 -10.286 330 2HB HIS 44 1HB HIS 44 -1.881 -0.486 -11.422 331 HD2 HIS 44 HD2 HIS 44 0.550 1.748 -13.324 332 HE1 HIS 44 HE1 HIS 44 2.740 -1.720 -12.320 333 HE2 HIS 44 HE2 HIS 44 2.738 0.389 -13.729 334 H LEU 45 H LEU 45 -3.998 0.884 -13.370 335 HA LEU 45 HA LEU 45 -5.846 1.340 -11.082 336 1HB LEU 45 2HB LEU 45 -6.390 2.395 -13.869 337 2HB LEU 45 1HB LEU 45 -7.372 2.645 -12.425 338 HG LEU 45 HG LEU 45 -5.019 3.597 -11.517 339 1HD1 LEU 45 1HD1 LEU 45 -4.196 3.094 -13.983 340 2HD1 LEU 45 2HD1 LEU 45 -3.682 4.564 -13.156 341 3HD1 LEU 45 3HD1 LEU 45 -4.993 4.628 -14.333 342 1HD2 LEU 45 1HD2 LEU 45 -7.307 4.858 -12.987 343 2HD2 LEU 45 2HD2 LEU 45 -5.932 5.871 -12.544 344 3HD2 LEU 45 3HD2 LEU 45 -6.841 5.021 -11.293 345 H PHE 46 H PHE 46 -7.653 -0.031 -11.113 346 HA PHE 46 HA PHE 46 -7.833 -1.919 -13.423 347 1HB PHE 46 2HB PHE 46 -8.664 -3.251 -11.039 348 2HB PHE 46 1HB PHE 46 -7.291 -3.639 -12.077 349 HD1 PHE 46 HD1 PHE 46 -8.259 -2.605 -8.836 350 HD2 PHE 46 HD2 PHE 46 -5.175 -2.079 -11.778 351 HE1 PHE 46 HE1 PHE 46 -6.704 -1.831 -7.067 352 HE2 PHE 46 HE2 PHE 46 -3.619 -1.305 -10.009 353 HZ PHE 46 HZ PHE 46 -4.384 -1.181 -7.652 354 H ALA 47 H ALA 47 -9.979 -2.792 -13.765 355 HA ALA 47 HA ALA 47 -12.149 -1.400 -12.265 356 1HB ALA 47 1HB ALA 47 -11.393 -0.703 -14.847 357 2HB ALA 47 2HB ALA 47 -12.952 -0.352 -14.101 358 3HB ALA 47 3HB ALA 47 -12.757 -1.792 -15.101 359 H GLU 48 H GLU 48 -14.337 -2.482 -12.858 360 HA GLU 48 HA GLU 48 -13.873 -5.431 -12.969 361 1HB GLU 48 2HB GLU 48 -16.093 -3.786 -11.724 362 2HB GLU 48 1HB GLU 48 -16.158 -5.543 -11.878 363 1HG GLU 48 2HG GLU 48 -15.313 -4.917 -9.658 364 2HG GLU 48 1HG GLU 48 -14.048 -5.722 -10.589 365 H ASP 49 H ASP 49 -15.145 -2.803 -14.712 366 HA ASP 49 HA ASP 49 -16.511 -4.710 -16.555 367 1HB ASP 49 2HB ASP 49 -17.599 -2.174 -15.357 368 2HB ASP 49 1HB ASP 49 -18.136 -2.693 -16.955 369 H PHE 50 H PHE 50 -15.759 -4.467 -18.610 370 HA PHE 50 HA PHE 50 -13.715 -2.616 -19.294 371 1HB PHE 50 2HB PHE 50 -14.853 -3.225 -21.720 372 2HB PHE 50 1HB PHE 50 -13.675 -4.238 -20.887 373 HD1 PHE 50 HD1 PHE 50 -17.361 -3.567 -21.022 374 HD2 PHE 50 HD2 PHE 50 -14.241 -6.430 -20.308 375 HE1 PHE 50 HE1 PHE 50 -19.060 -5.359 -20.789 376 HE2 PHE 50 HE2 PHE 50 -15.939 -8.222 -20.073 377 HZ PHE 50 HZ PHE 50 -18.349 -7.687 -20.313 378 H ASP 51 H ASP 51 -17.120 -2.199 -19.066 379 HA ASP 51 HA ASP 51 -17.494 -0.112 -20.988 380 1HB ASP 51 2HB ASP 51 -19.332 -1.353 -19.795 381 2HB ASP 51 1HB ASP 51 -18.936 -0.436 -18.341 382 H LYS 52 H LYS 52 -17.370 0.322 -17.435 383 HA LYS 52 HA LYS 52 -16.774 3.105 -17.574 384 1HB LYS 52 2HB LYS 52 -16.291 2.964 -15.223 385 2HB LYS 52 1HB LYS 52 -17.594 1.818 -15.539 386 1HG LYS 52 2HG LYS 52 -15.875 0.005 -15.748 387 2HG LYS 52 1HG LYS 52 -14.646 1.172 -15.260 388 1HD LYS 52 2HD LYS 52 -15.510 1.372 -13.090 389 2HD LYS 52 1HD LYS 52 -17.097 0.767 -13.565 390 1HE LYS 52 2HE LYS 52 -16.495 -1.363 -13.146 391 2HE LYS 52 1HE LYS 52 -15.026 -1.197 -14.108 392 1HZ LYS 52 1HZ LYS 52 -14.125 0.074 -12.122 393 2HZ LYS 52 2HZ LYS 52 -14.286 -1.609 -11.952 394 3HZ LYS 52 3HZ LYS 52 -15.430 -0.567 -11.249 395 H LEU 53 H LEU 53 -14.732 0.268 -17.783 396 HA LEU 53 HA LEU 53 -12.220 1.487 -17.203 397 1HB LEU 53 2HB LEU 53 -12.843 -1.024 -17.627 398 2HB LEU 53 1HB LEU 53 -12.505 -0.637 -19.314 399 HG LEU 53 HG LEU 53 -10.570 -0.005 -17.076 400 1HD1 LEU 53 1HD1 LEU 53 -9.581 -2.078 -17.270 401 2HD1 LEU 53 2HD1 LEU 53 -10.111 -2.293 -18.938 402 3HD1 LEU 53 3HD1 LEU 53 -11.249 -2.541 -17.614 403 1HD2 LEU 53 1HD2 LEU 53 -9.031 -0.211 -19.202 404 2HD2 LEU 53 2HD2 LEU 53 -9.961 1.266 -18.943 405 3HD2 LEU 53 3HD2 LEU 53 -10.537 0.049 -20.082 406 H GLU 54 H GLU 54 -13.712 0.854 -20.403 407 HA GLU 54 HA GLU 54 -11.793 2.287 -21.920 408 1HB GLU 54 2HB GLU 54 -13.812 0.773 -22.666 409 2HB GLU 54 1HB GLU 54 -14.696 2.299 -22.703 410 1HG GLU 54 2HG GLU 54 -12.278 2.880 -23.977 411 2HG GLU 54 1HG GLU 54 -12.708 1.277 -24.572 412 H LYS 55 H LYS 55 -14.807 3.412 -20.383 413 HA LYS 55 HA LYS 55 -14.731 6.078 -21.380 414 1HB LYS 55 2HB LYS 55 -15.867 4.889 -18.840 415 2HB LYS 55 1HB LYS 55 -16.052 6.596 -19.247 416 1HG LYS 55 2HG LYS 55 -17.048 5.895 -21.446 417 2HG LYS 55 1HG LYS 55 -17.007 4.226 -20.877 418 1HD LYS 55 2HD LYS 55 -18.347 5.017 -18.856 419 2HD LYS 55 1HD LYS 55 -18.585 6.534 -19.723 420 1HE LYS 55 2HE LYS 55 -19.393 3.775 -20.690 421 2HE LYS 55 1HE LYS 55 -20.483 5.048 -20.140 422 1HZ LYS 55 1HZ LYS 55 -18.886 6.203 -22.065 423 2HZ LYS 55 2HZ LYS 55 -20.521 5.770 -22.219 424 3HZ LYS 55 3HZ LYS 55 -19.304 4.684 -22.694 425 H ALA 56 H ALA 56 -13.713 4.953 -18.128 426 HA ALA 56 HA ALA 56 -12.432 7.332 -17.332 427 1HB ALA 56 1HB ALA 56 -11.906 6.120 -15.499 428 2HB ALA 56 2HB ALA 56 -10.990 4.950 -16.451 429 3HB ALA 56 3HB ALA 56 -12.736 4.771 -16.277 430 H ALA 57 H ALA 57 -10.842 4.439 -18.738 431 HA ALA 57 HA ALA 57 -8.258 5.405 -19.008 432 1HB ALA 57 1HB ALA 57 -8.085 3.980 -21.062 433 2HB ALA 57 2HB ALA 57 -9.834 3.765 -21.013 434 3HB ALA 57 3HB ALA 57 -8.833 3.146 -19.700 435 H VAL 58 H VAL 58 -10.676 5.660 -21.647 436 HA VAL 58 HA VAL 58 -9.370 7.288 -23.417 437 HB VAL 58 HB VAL 58 -12.214 7.138 -22.535 438 1HG1 VAL 58 1HG1 VAL 58 -11.057 9.410 -24.169 439 2HG1 VAL 58 2HG1 VAL 58 -12.063 9.524 -22.725 440 3HG1 VAL 58 3HG1 VAL 58 -12.759 8.951 -24.241 441 1HG2 VAL 58 1HG2 VAL 58 -11.255 5.636 -24.252 442 2HG2 VAL 58 2HG2 VAL 58 -10.822 7.038 -25.230 443 3HG2 VAL 58 3HG2 VAL 58 -12.518 6.659 -24.935 444 H GLU 59 H GLU 59 -11.127 8.522 -20.550 445 HA GLU 59 HA GLU 59 -10.478 11.248 -20.867 446 1HB GLU 59 2HB GLU 59 -11.487 9.539 -18.749 447 2HB GLU 59 1HB GLU 59 -10.397 10.766 -18.101 448 1HG GLU 59 2HG GLU 59 -12.760 11.558 -18.215 449 2HG GLU 59 1HG GLU 59 -11.673 12.534 -19.203 450 H ALA 60 H ALA 60 -8.747 8.872 -18.808 451 HA ALA 60 HA ALA 60 -6.625 10.369 -17.920 452 1HB ALA 60 1HB ALA 60 -5.404 8.014 -18.905 453 2HB ALA 60 2HB ALA 60 -7.059 7.571 -18.487 454 3HB ALA 60 3HB ALA 60 -6.009 8.301 -17.274 455 H PHE 61 H PHE 61 -6.839 8.905 -21.174 456 HA PHE 61 HA PHE 61 -4.333 9.912 -22.111 457 1HB PHE 61 2HB PHE 61 -5.602 8.127 -23.267 458 2HB PHE 61 1HB PHE 61 -6.846 9.301 -23.699 459 HD1 PHE 61 HD1 PHE 61 -3.411 8.158 -24.335 460 HD2 PHE 61 HD2 PHE 61 -6.403 11.072 -25.339 461 HE1 PHE 61 HE1 PHE 61 -2.094 8.822 -26.329 462 HE2 PHE 61 HE2 PHE 61 -5.085 11.737 -27.334 463 HZ PHE 61 HZ PHE 61 -2.931 10.612 -27.828 464 H LYS 62 H LYS 62 -7.618 11.276 -22.194 465 HA LYS 62 HA LYS 62 -7.025 13.556 -23.794 466 1HB LYS 62 2HB LYS 62 -9.220 12.610 -22.197 467 2HB LYS 62 1HB LYS 62 -8.933 14.309 -21.818 468 1HG LYS 62 2HG LYS 62 -9.022 13.356 -24.678 469 2HG LYS 62 1HG LYS 62 -10.503 13.762 -23.809 470 1HD LYS 62 2HD LYS 62 -10.059 15.994 -23.833 471 2HD LYS 62 1HD LYS 62 -8.334 15.751 -23.553 472 1HE LYS 62 2HE LYS 62 -8.009 15.127 -25.895 473 2HE LYS 62 1HE LYS 62 -9.741 15.265 -26.195 474 1HZ LYS 62 1HZ LYS 62 -9.576 17.619 -25.512 475 2HZ LYS 62 2HZ LYS 62 -8.673 17.264 -26.906 476 3HZ LYS 62 3HZ LYS 62 -7.893 17.449 -25.408 477 H MET 63 H MET 63 -6.773 13.045 -20.281 478 HA MET 63 HA MET 63 -5.986 15.755 -19.689 479 1HB MET 63 2HB MET 63 -5.589 13.156 -18.183 480 2HB MET 63 1HB MET 63 -5.156 14.737 -17.533 481 1HG MET 63 2HG MET 63 -7.588 15.417 -18.084 482 2HG MET 63 1HG MET 63 -7.898 13.687 -18.234 483 1HE MET 63 1HE MET 63 -8.289 12.357 -14.898 484 2HE MET 63 2HE MET 63 -7.306 11.925 -16.294 485 3HE MET 63 3HE MET 63 -8.932 12.556 -16.534 486 H GLY 64 H GLY 64 -4.113 12.736 -20.100 487 1HA GLY 64 2HA GLY 64 -2.022 13.405 -21.601 488 2HA GLY 64 1HA GLY 64 -1.618 14.343 -20.162 489 H PHE 65 H PHE 65 -3.225 11.211 -20.058 490 HA PHE 65 HA PHE 65 -0.807 10.136 -18.671 491 1HB PHE 65 2HB PHE 65 -3.756 9.610 -18.387 492 2HB PHE 65 1HB PHE 65 -2.590 8.385 -17.884 493 HD1 PHE 65 HD1 PHE 65 -3.984 11.702 -17.189 494 HD2 PHE 65 HD2 PHE 65 -0.969 8.851 -16.079 495 HE1 PHE 65 HE1 PHE 65 -3.587 12.944 -15.079 496 HE2 PHE 65 HE2 PHE 65 -0.572 10.092 -13.970 497 HZ PHE 65 HZ PHE 65 -1.880 12.139 -13.469 498 H GLU 66 H GLU 66 0.356 8.742 -19.896 499 HA GLU 66 HA GLU 66 -0.642 7.653 -22.377 500 1HB GLU 66 2HB GLU 66 1.780 8.113 -21.882 501 2HB GLU 66 1HB GLU 66 1.767 6.737 -20.779 502 1HG GLU 66 2HG GLU 66 0.844 5.392 -22.794 503 2HG GLU 66 1HG GLU 66 1.416 6.744 -23.773 504 H VAL 67 H VAL 67 -2.573 6.513 -21.730 505 HA VAL 67 HA VAL 67 -2.627 4.462 -19.745 506 HB VAL 67 HB VAL 67 -4.626 5.562 -20.858 507 1HG1 VAL 67 1HG1 VAL 67 -4.339 3.457 -22.984 508 2HG1 VAL 67 2HG1 VAL 67 -3.541 5.017 -23.189 509 3HG1 VAL 67 3HG1 VAL 67 -5.294 4.940 -23.010 510 1HG2 VAL 67 1HG2 VAL 67 -5.943 3.390 -20.905 511 2HG2 VAL 67 2HG2 VAL 67 -4.992 3.648 -19.442 512 3HG2 VAL 67 3HG2 VAL 67 -4.412 2.543 -20.687 513 H LEU 68 H LEU 68 -1.906 2.368 -19.809 514 HA LEU 68 HA LEU 68 -0.782 1.407 -22.405 515 1HB LEU 68 2HB LEU 68 0.311 1.512 -19.783 516 2HB LEU 68 1HB LEU 68 0.057 -0.191 -20.167 517 HG LEU 68 HG LEU 68 1.424 1.745 -22.052 518 1HD1 LEU 68 1HD1 LEU 68 3.541 0.844 -21.276 519 2HD1 LEU 68 2HD1 LEU 68 2.713 -0.265 -20.182 520 3HD1 LEU 68 3HD1 LEU 68 2.661 1.472 -19.882 521 1HD2 LEU 68 1HD2 LEU 68 2.233 -0.379 -23.073 522 2HD2 LEU 68 2HD2 LEU 68 0.474 -0.258 -23.103 523 3HD2 LEU 68 3HD2 LEU 68 1.268 -1.285 -21.907 524 H GLU 69 H GLU 69 -1.224 -0.761 -23.048 525 HA GLU 69 HA GLU 69 -3.822 -1.722 -22.724 526 1HB GLU 69 2HB GLU 69 -2.723 -2.789 -24.458 527 2HB GLU 69 1HB GLU 69 -1.233 -2.981 -23.535 528 1HG GLU 69 2HG GLU 69 -2.137 -4.802 -22.272 529 2HG GLU 69 1HG GLU 69 -3.771 -4.483 -22.858 530 H ALA 70 H ALA 70 -4.724 -3.437 -21.443 531 HA ALA 70 HA ALA 70 -3.405 -3.695 -18.785 532 1HB ALA 70 1HB ALA 70 -5.580 -2.961 -18.382 533 2HB ALA 70 2HB ALA 70 -5.797 -4.707 -18.284 534 3HB ALA 70 3HB ALA 70 -6.240 -3.847 -19.758 535 H GLU 71 H GLU 71 -3.741 -5.913 -17.728 536 HA GLU 71 HA GLU 71 -3.728 -8.105 -19.748 537 1HB GLU 71 2HB GLU 71 -1.377 -7.509 -19.225 538 2HB GLU 71 1HB GLU 71 -1.700 -7.787 -17.514 539 1HG GLU 71 2HG GLU 71 -2.439 -10.136 -18.157 540 2HG GLU 71 1HG GLU 71 -1.770 -9.815 -19.757 541 H GLU 72 H GLU 72 -5.429 -9.353 -19.139 542 HA GLU 72 HA GLU 72 -6.880 -9.411 -16.826 543 1HB GLU 72 2HB GLU 72 -7.070 -11.981 -17.230 544 2HB GLU 72 1HB GLU 72 -7.632 -10.888 -18.494 545 1HG GLU 72 2HG GLU 72 -4.781 -11.850 -18.490 546 2HG GLU 72 1HG GLU 72 -6.060 -12.866 -19.157 547 H THR 73 H THR 73 -5.850 -9.136 -14.862 548 HA THR 73 HA THR 73 -3.692 -11.060 -14.144 549 HB THR 73 HB THR 73 -3.363 -8.554 -13.843 550 HG1 THR 73 HG1 THR 73 -2.034 -9.176 -12.364 551 1HG2 THR 73 1HG2 THR 73 -5.261 -8.953 -11.519 552 2HG2 THR 73 2HG2 THR 73 -5.737 -8.199 -13.042 553 3HG2 THR 73 3HG2 THR 73 -4.499 -7.448 -12.035 554 H GLU 74 H GLU 74 -4.126 -10.781 -11.293 555 HA GLU 74 HA GLU 74 -6.848 -11.826 -10.824 556 1HB GLU 74 2HB GLU 74 -5.519 -13.752 -9.492 557 2HB GLU 74 1HB GLU 74 -6.040 -13.951 -11.165 558 1HG GLU 74 2HG GLU 74 -3.897 -13.534 -12.020 559 2HG GLU 74 1HG GLU 74 -3.367 -12.713 -10.550 560 H ASP 75 H ASP 75 -7.530 -11.322 -8.763 561 HA ASP 75 HA ASP 75 -5.909 -9.554 -7.159 562 1HB ASP 75 2HB ASP 75 -8.357 -9.392 -7.155 563 2HB ASP 75 1HB ASP 75 -8.480 -11.019 -6.486 564 H GLU 76 H GLU 76 -4.364 -11.802 -7.481 565 HA GLU 76 HA GLU 76 -3.348 -13.617 -6.343 566 1HB GLU 76 2HB GLU 76 -3.408 -11.192 -4.688 567 2HB GLU 76 1HB GLU 76 -3.191 -12.669 -3.749 568 1HG GLU 76 2HG GLU 76 -1.230 -13.271 -4.935 569 2HG GLU 76 1HG GLU 76 -1.572 -12.133 -6.239 570 H ASP 77 H ASP 77 -6.418 -13.470 -6.278 571 HA ASP 77 HA ASP 77 -6.733 -15.351 -3.976 572 1HB ASP 77 2HB ASP 77 -7.819 -13.275 -3.341 573 2HB ASP 77 1HB ASP 77 -8.662 -13.198 -4.887 574 H GLY 78 H GLY 78 -7.666 -14.416 -7.243 575 1HA GLY 78 2HA GLY 78 -7.901 -16.480 -8.740 576 2HA GLY 78 1HA GLY 78 -9.044 -17.057 -7.526 577 H ASN 79 H ASN 79 -8.770 -13.706 -8.617 578 HA ASN 79 HA ASN 79 -11.577 -13.916 -9.613 579 1HB ASN 79 2HB ASN 79 -10.012 -11.806 -8.232 580 2HB ASN 79 1HB ASN 79 -11.099 -11.243 -9.502 581 1HD2 ASN 79 1HD2 ASN 79 -11.159 -11.412 -6.310 582 2HD2 ASN 79 2HD2 ASN 79 -12.751 -11.926 -6.018 583 H LYS 80 H LYS 80 -11.471 -11.479 -11.135 584 HA LYS 80 HA LYS 80 -9.328 -11.747 -13.108 585 1HB LYS 80 2HB LYS 80 -11.326 -12.027 -14.892 586 2HB LYS 80 1HB LYS 80 -10.473 -13.410 -14.205 587 1HG LYS 80 2HG LYS 80 -12.199 -13.860 -12.659 588 2HG LYS 80 1HG LYS 80 -12.903 -12.252 -12.845 589 1HD LYS 80 2HD LYS 80 -12.756 -14.172 -15.167 590 2HD LYS 80 1HD LYS 80 -14.098 -14.218 -14.024 591 1HE LYS 80 2HE LYS 80 -14.275 -11.665 -14.462 592 2HE LYS 80 1HE LYS 80 -13.295 -11.993 -15.891 593 1HZ LYS 80 1HZ LYS 80 -15.221 -12.487 -16.863 594 2HZ LYS 80 2HZ LYS 80 -16.058 -12.592 -15.388 595 3HZ LYS 80 3HZ LYS 80 -15.187 -13.929 -15.972 596 H LEU 81 H LEU 81 -8.982 -9.519 -12.819 597 HA LEU 81 HA LEU 81 -11.190 -7.768 -13.825 598 1HB LEU 81 2HB LEU 81 -9.294 -6.429 -12.043 599 2HB LEU 81 1HB LEU 81 -11.058 -6.423 -12.009 600 HG LEU 81 HG LEU 81 -10.807 -8.857 -11.100 601 1HD1 LEU 81 1HD1 LEU 81 -8.226 -8.601 -11.606 602 2HD1 LEU 81 2HD1 LEU 81 -8.762 -9.479 -10.173 603 3HD1 LEU 81 3HD1 LEU 81 -8.207 -7.810 -10.029 604 1HD2 LEU 81 1HD2 LEU 81 -11.736 -7.354 -9.586 605 2HD2 LEU 81 2HD2 LEU 81 -10.355 -6.260 -9.670 606 3HD2 LEU 81 3HD2 LEU 81 -10.235 -7.764 -8.757 607 H LEU 82 H LEU 82 -10.526 -6.114 -15.242 608 HA LEU 82 HA LEU 82 -7.965 -6.555 -16.567 609 1HB LEU 82 2HB LEU 82 -9.880 -4.248 -16.999 610 2HB LEU 82 1HB LEU 82 -8.689 -4.882 -18.135 611 HG LEU 82 HG LEU 82 -10.568 -6.923 -17.176 612 1HD1 LEU 82 1HD1 LEU 82 -12.509 -6.111 -18.381 613 2HD1 LEU 82 2HD1 LEU 82 -11.627 -4.683 -18.924 614 3HD1 LEU 82 3HD1 LEU 82 -12.029 -4.875 -17.218 615 1HD2 LEU 82 1HD2 LEU 82 -8.965 -7.183 -19.063 616 2HD2 LEU 82 2HD2 LEU 82 -9.822 -5.917 -19.942 617 3HD2 LEU 82 3HD2 LEU 82 -10.633 -7.439 -19.575 618 H CYS 83 H CYS 83 -6.086 -5.425 -16.231 619 HA CYS 83 HA CYS 83 -6.248 -3.011 -14.468 620 1HB CYS 83 2HB CYS 83 -3.931 -3.708 -13.680 621 2HB CYS 83 1HB CYS 83 -5.250 -4.752 -13.151 622 HG CYS 83 HG CYS 83 -3.811 -5.621 -15.747 623 H PHE 84 H PHE 84 -5.898 -1.337 -15.878 624 HA PHE 84 HA PHE 84 -3.842 -1.685 -18.001 625 1HB PHE 84 2HB PHE 84 -4.768 0.544 -18.807 626 2HB PHE 84 1HB PHE 84 -5.902 -0.805 -18.857 627 HD1 PHE 84 HD1 PHE 84 -7.528 -1.102 -16.902 628 HD2 PHE 84 HD2 PHE 84 -5.230 2.473 -17.524 629 HE1 PHE 84 HE1 PHE 84 -9.079 0.151 -15.428 630 HE2 PHE 84 HE2 PHE 84 -6.780 3.726 -16.049 631 HZ PHE 84 HZ PHE 84 -8.705 2.565 -15.001 632 H ASP 85 H ASP 85 -2.289 0.132 -18.320 633 HA ASP 85 HA ASP 85 -1.502 1.274 -15.671 634 1HB ASP 85 2HB ASP 85 -0.014 0.010 -17.843 635 2HB ASP 85 1HB ASP 85 0.659 1.581 -17.406 636 H ALA 86 H ALA 86 -0.224 3.413 -15.956 637 HA ALA 86 HA ALA 86 -1.057 5.056 -18.246 638 1HB ALA 86 1HB ALA 86 -2.305 5.254 -15.544 639 2HB ALA 86 2HB ALA 86 -2.997 5.604 -17.128 640 3HB ALA 86 3HB ALA 86 -1.915 6.767 -16.362 641 H THR 87 H THR 87 0.653 6.378 -18.681 642 HA THR 87 HA THR 87 2.526 6.987 -16.429 643 HB THR 87 HB THR 87 3.630 7.409 -19.088 644 HG1 THR 87 HG1 THR 87 3.369 4.720 -18.657 645 1HG2 THR 87 1HG2 THR 87 4.754 7.080 -16.786 646 2HG2 THR 87 2HG2 THR 87 5.474 6.257 -18.170 647 3HG2 THR 87 3HG2 THR 87 4.461 5.359 -17.040 648 H MET 88 H MET 88 3.360 9.131 -16.297 649 HA MET 88 HA MET 88 2.370 11.163 -18.188 650 1HB MET 88 2HB MET 88 0.545 10.883 -16.476 651 2HB MET 88 1HB MET 88 1.704 11.368 -15.237 652 1HG MET 88 2HG MET 88 1.803 13.558 -15.988 653 2HG MET 88 1HG MET 88 1.385 13.119 -17.644 654 1HE MET 88 1HE MET 88 -0.212 14.966 -17.977 655 2HE MET 88 2HE MET 88 0.102 15.624 -16.373 656 3HE MET 88 3HE MET 88 -1.559 15.407 -16.917 657 H GLN 89 H GLN 89 4.282 12.162 -18.617 658 HA GLN 89 HA GLN 89 6.559 12.185 -16.924 659 1HB GLN 89 2HB GLN 89 5.809 14.241 -19.024 660 2HB GLN 89 1HB GLN 89 7.430 13.926 -18.404 661 1HG GLN 89 2HG GLN 89 5.970 11.567 -19.456 662 2HG GLN 89 1HG GLN 89 6.452 12.767 -20.654 663 1HE2 GLN 89 1HE2 GLN 89 7.775 10.431 -20.966 664 2HE2 GLN 89 2HE2 GLN 89 9.353 10.501 -20.344 665 H SER 90 H SER 90 7.327 13.707 -15.425 666 HA SER 90 HA SER 90 5.951 16.219 -14.934 667 1HB SER 90 2HB SER 90 4.580 15.675 -13.213 668 2HB SER 90 1HB SER 90 4.743 14.014 -13.778 669 HG SER 90 HG SER 90 6.849 14.304 -12.406 670 H ALA 91 H ALA 91 6.892 17.236 -12.844 671 HA ALA 91 HA ALA 91 9.778 16.506 -12.735 672 1HB ALA 91 1HB ALA 91 10.231 18.743 -12.181 673 2HB ALA 91 2HB ALA 91 8.601 19.020 -11.567 674 3HB ALA 91 3HB ALA 91 8.880 18.893 -13.304 675 H LEU 92 H LEU 92 10.464 15.424 -10.955 676 HA LEU 92 HA LEU 92 9.033 14.468 -8.842 677 1HB LEU 92 2HB LEU 92 11.583 14.288 -9.311 678 2HB LEU 92 1HB LEU 92 11.723 15.708 -8.275 679 HG LEU 92 HG LEU 92 10.174 14.268 -6.668 680 1HD1 LEU 92 1HD1 LEU 92 11.780 12.030 -7.842 681 2HD1 LEU 92 2HD1 LEU 92 10.263 12.470 -8.626 682 3HD1 LEU 92 3HD1 LEU 92 10.269 11.967 -6.935 683 1HD2 LEU 92 1HD2 LEU 92 12.513 13.121 -5.973 684 2HD2 LEU 92 2HD2 LEU 92 12.180 14.829 -5.689 685 3HD2 LEU 92 3HD2 LEU 92 13.121 14.336 -7.097 686 H ASP 93 H ASP 93 7.431 15.698 -7.882 687 HA ASP 93 HA ASP 93 8.292 17.802 -6.041 688 1HB ASP 93 2HB ASP 93 6.827 18.410 -8.581 689 2HB ASP 93 1HB ASP 93 6.401 19.318 -7.130 690 H ALA 94 H ALA 94 7.332 16.605 -4.380 691 HA ALA 94 HA ALA 94 5.041 15.125 -4.265 692 1HB ALA 94 1HB ALA 94 4.681 16.510 -1.965 693 2HB ALA 94 2HB ALA 94 6.342 16.972 -2.338 694 3HB ALA 94 3HB ALA 94 5.920 15.270 -2.155 695 H LYS 95 H LYS 95 5.112 18.694 -4.102 696 HA LYS 95 HA LYS 95 2.356 19.169 -3.819 697 1HB LYS 95 2HB LYS 95 4.484 20.692 -5.340 698 2HB LYS 95 1HB LYS 95 2.834 21.292 -5.160 699 1HG LYS 95 2HG LYS 95 3.308 20.722 -2.592 700 2HG LYS 95 1HG LYS 95 4.976 20.985 -3.103 701 1HD LYS 95 2HD LYS 95 4.395 23.156 -2.567 702 2HD LYS 95 1HD LYS 95 3.909 23.132 -4.262 703 1HE LYS 95 2HE LYS 95 2.134 22.750 -1.838 704 2HE LYS 95 1HE LYS 95 2.068 24.058 -3.019 705 1HZ LYS 95 1HZ LYS 95 0.397 22.211 -3.299 706 2HZ LYS 95 2HZ LYS 95 1.693 21.220 -3.773 707 3HZ LYS 95 3HZ LYS 95 1.305 22.606 -4.675 708 H LEU 96 H LEU 96 4.177 18.948 -6.900 709 HA LEU 96 HA LEU 96 1.835 19.001 -8.549 710 1HB LEU 96 2HB LEU 96 4.540 19.082 -9.021 711 2HB LEU 96 1HB LEU 96 4.140 17.457 -9.572 712 HG LEU 96 HG LEU 96 2.090 18.899 -10.676 713 1HD1 LEU 96 1HD1 LEU 96 4.573 20.624 -10.894 714 2HD1 LEU 96 2HD1 LEU 96 3.201 21.007 -9.855 715 3HD1 LEU 96 3HD1 LEU 96 2.992 20.946 -11.605 716 1HD2 LEU 96 1HD2 LEU 96 3.412 17.266 -11.880 717 2HD2 LEU 96 2HD2 LEU 96 4.843 18.293 -11.790 718 3HD2 LEU 96 3HD2 LEU 96 3.469 18.782 -12.780 719 H ILE 97 H ILE 97 3.974 16.222 -7.809 720 HA ILE 97 HA ILE 97 2.534 14.128 -8.831 721 HB ILE 97 HB ILE 97 3.749 14.226 -6.053 722 1HG1 ILE 97 2HG1 ILE 97 5.030 13.008 -8.479 723 2HG1 ILE 97 1HG1 ILE 97 5.106 14.757 -8.260 724 1HG2 ILE 97 1HG2 ILE 97 2.858 11.947 -7.831 725 2HG2 ILE 97 2HG2 ILE 97 2.372 12.277 -6.168 726 3HG2 ILE 97 3HG2 ILE 97 4.011 11.723 -6.515 727 1HD1 ILE 97 1HD1 ILE 97 6.525 14.603 -6.481 728 2HD1 ILE 97 2HD1 ILE 97 6.903 13.025 -7.172 729 3HD1 ILE 97 3HD1 ILE 97 5.740 13.155 -5.853 730 H ASP 98 H ASP 98 1.723 15.942 -5.890 731 HA ASP 98 HA ASP 98 -0.494 14.270 -5.123 732 1HB ASP 98 2HB ASP 98 0.127 17.181 -4.540 733 2HB ASP 98 1HB ASP 98 -1.208 16.297 -3.801 734 H GLU 99 H GLU 99 -0.232 17.204 -7.122 735 HA GLU 99 HA GLU 99 -3.025 17.574 -7.563 736 1HB GLU 99 2HB GLU 99 -0.697 18.208 -9.406 737 2HB GLU 99 1HB GLU 99 -2.330 18.856 -9.564 738 1HG GLU 99 2HG GLU 99 -1.282 19.208 -6.865 739 2HG GLU 99 1HG GLU 99 -0.258 19.982 -8.075 740 H GLN 100 H GLN 100 -0.601 15.667 -9.348 741 HA GLN 100 HA GLN 100 -2.359 14.796 -11.431 742 1HB GLN 100 2HB GLN 100 0.270 13.936 -10.334 743 2HB GLN 100 1HB GLN 100 -0.630 12.727 -11.251 744 1HG GLN 100 2HG GLN 100 -0.869 14.356 -13.116 745 2HG GLN 100 1HG GLN 100 0.115 15.506 -12.210 746 1HE2 GLN 100 1HE2 GLN 100 0.949 12.141 -11.848 747 2HE2 GLN 100 2HE2 GLN 100 2.330 12.167 -12.836 748 H VAL 101 H VAL 101 -1.518 13.355 -8.281 749 HA VAL 101 HA VAL 101 -3.122 11.001 -8.595 750 HB VAL 101 HB VAL 101 -2.220 12.483 -6.109 751 1HG1 VAL 101 1HG1 VAL 101 -2.668 10.212 -5.029 752 2HG1 VAL 101 2HG1 VAL 101 -3.588 9.810 -6.478 753 3HG1 VAL 101 3HG1 VAL 101 -4.098 11.153 -5.455 754 1HG2 VAL 101 1HG2 VAL 101 -0.529 11.434 -7.753 755 2HG2 VAL 101 2HG2 VAL 101 -1.180 9.879 -7.233 756 3HG2 VAL 101 3HG2 VAL 101 -0.410 10.949 -6.063 757 H GLU 102 H GLU 102 -3.810 13.867 -6.550 758 HA GLU 102 HA GLU 102 -6.389 13.436 -5.797 759 1HB GLU 102 2HB GLU 102 -5.067 15.582 -5.492 760 2HB GLU 102 1HB GLU 102 -5.592 16.047 -7.111 761 1HG GLU 102 2HG GLU 102 -7.714 16.499 -6.426 762 2HG GLU 102 1HG GLU 102 -7.763 15.103 -5.348 763 H LYS 103 H LYS 103 -5.473 14.607 -9.052 764 HA LYS 103 HA LYS 103 -8.116 14.717 -10.105 765 1HB LYS 103 2HB LYS 103 -5.413 14.286 -11.385 766 2HB LYS 103 1HB LYS 103 -6.896 14.325 -12.342 767 1HG LYS 103 2HG LYS 103 -7.421 16.562 -11.341 768 2HG LYS 103 1HG LYS 103 -5.848 16.528 -10.541 769 1HD LYS 103 2HD LYS 103 -4.695 16.452 -12.669 770 2HD LYS 103 1HD LYS 103 -6.220 16.266 -13.537 771 1HE LYS 103 2HE LYS 103 -5.207 18.628 -13.480 772 2HE LYS 103 1HE LYS 103 -6.905 18.483 -13.026 773 1HZ LYS 103 1HZ LYS 103 -4.909 19.604 -11.526 774 2HZ LYS 103 2HZ LYS 103 -5.176 18.093 -10.796 775 3HZ LYS 103 3HZ LYS 103 -6.461 19.186 -10.984 776 H LEU 104 H LEU 104 -5.749 12.057 -10.023 777 HA LEU 104 HA LEU 104 -7.444 10.205 -11.461 778 1HB LEU 104 2HB LEU 104 -5.062 9.784 -9.634 779 2HB LEU 104 1HB LEU 104 -5.854 8.481 -10.521 780 HG LEU 104 HG LEU 104 -4.777 10.966 -11.871 781 1HD1 LEU 104 1HD1 LEU 104 -3.005 9.599 -10.665 782 2HD1 LEU 104 2HD1 LEU 104 -2.782 9.742 -12.409 783 3HD1 LEU 104 3HD1 LEU 104 -3.437 8.255 -11.721 784 1HD2 LEU 104 1HD2 LEU 104 -4.744 8.851 -13.641 785 2HD2 LEU 104 2HD2 LEU 104 -6.027 10.056 -13.537 786 3HD2 LEU 104 3HD2 LEU 104 -6.192 8.518 -12.690 787 H VAL 105 H VAL 105 -7.395 11.353 -8.216 788 HA VAL 105 HA VAL 105 -8.703 8.989 -7.079 789 HB VAL 105 HB VAL 105 -7.979 11.727 -6.052 790 1HG1 VAL 105 1HG1 VAL 105 -9.932 9.745 -4.913 791 2HG1 VAL 105 2HG1 VAL 105 -10.038 11.504 -4.965 792 3HG1 VAL 105 3HG1 VAL 105 -8.942 10.720 -3.828 793 1HG2 VAL 105 1HG2 VAL 105 -7.343 9.318 -4.501 794 2HG2 VAL 105 2HG2 VAL 105 -6.278 10.614 -5.046 795 3HG2 VAL 105 3HG2 VAL 105 -6.673 9.282 -6.133 796 H ASN 106 H ASN 106 -9.698 12.360 -7.771 797 HA ASN 106 HA ASN 106 -12.456 11.931 -7.103 798 1HB ASN 106 2HB ASN 106 -11.833 13.947 -9.185 799 2HB ASN 106 1HB ASN 106 -12.730 14.127 -7.677 800 1HD2 ASN 106 1HD2 ASN 106 -10.469 15.823 -8.739 801 2HD2 ASN 106 2HD2 ASN 106 -9.280 15.788 -7.528 802 H LEU 107 H LEU 107 -10.703 11.820 -10.206 803 HA LEU 107 HA LEU 107 -13.033 11.286 -11.806 804 1HB LEU 107 2HB LEU 107 -11.035 12.078 -12.893 805 2HB LEU 107 1HB LEU 107 -10.089 10.733 -12.256 806 HG LEU 107 HG LEU 107 -12.415 9.761 -13.694 807 1HD1 LEU 107 1HD1 LEU 107 -10.453 11.468 -15.257 808 2HD1 LEU 107 2HD1 LEU 107 -12.136 11.892 -14.942 809 3HD1 LEU 107 3HD1 LEU 107 -11.752 10.489 -15.940 810 1HD2 LEU 107 1HD2 LEU 107 -10.551 8.598 -14.978 811 2HD2 LEU 107 2HD2 LEU 107 -10.529 8.340 -13.233 812 3HD2 LEU 107 3HD2 LEU 107 -9.409 9.485 -13.969 813 H ALA 108 H ALA 108 -10.511 9.105 -10.501 814 HA ALA 108 HA ALA 108 -11.490 6.667 -11.452 815 1HB ALA 108 1HB ALA 108 -10.604 5.757 -9.177 816 2HB ALA 108 2HB ALA 108 -10.103 7.423 -8.889 817 3HB ALA 108 3HB ALA 108 -9.461 6.537 -10.272 818 H GLU 109 H GLU 109 -12.381 8.220 -8.347 819 HA GLU 109 HA GLU 109 -14.445 6.293 -7.769 820 1HB GLU 109 2HB GLU 109 -14.226 9.130 -6.727 821 2HB GLU 109 1HB GLU 109 -15.078 7.783 -5.971 822 1HG GLU 109 2HG GLU 109 -12.094 7.821 -6.504 823 2HG GLU 109 1HG GLU 109 -12.829 8.229 -4.953 824 H LYS 110 H LYS 110 -14.306 9.066 -9.822 825 HA LYS 110 HA LYS 110 -17.105 9.741 -9.798 826 1HB LYS 110 2HB LYS 110 -15.228 11.173 -10.729 827 2HB LYS 110 1HB LYS 110 -15.190 10.085 -12.118 828 1HG LYS 110 2HG LYS 110 -17.772 10.545 -12.208 829 2HG LYS 110 1HG LYS 110 -17.362 11.974 -11.258 830 1HD LYS 110 2HD LYS 110 -17.281 12.655 -13.554 831 2HD LYS 110 1HD LYS 110 -15.605 12.497 -13.026 832 1HE LYS 110 2HE LYS 110 -16.883 10.060 -14.162 833 2HE LYS 110 1HE LYS 110 -16.514 11.362 -15.293 834 1HZ LYS 110 1HZ LYS 110 -14.441 10.615 -15.282 835 2HZ LYS 110 2HZ LYS 110 -14.747 9.547 -13.997 836 3HZ LYS 110 3HZ LYS 110 -14.303 11.156 -13.680 837 H PHE 111 H PHE 111 -15.191 7.357 -11.560 838 HA PHE 111 HA PHE 111 -17.592 6.596 -13.140 839 1HB PHE 111 2HB PHE 111 -14.652 6.059 -13.362 840 2HB PHE 111 1HB PHE 111 -15.777 4.901 -14.072 841 HD1 PHE 111 HD1 PHE 111 -13.868 7.677 -14.837 842 HD2 PHE 111 HD2 PHE 111 -17.878 6.204 -15.289 843 HE1 PHE 111 HE1 PHE 111 -14.205 9.188 -16.775 844 HE2 PHE 111 HE2 PHE 111 -18.214 7.714 -17.228 845 HZ PHE 111 HZ PHE 111 -16.377 9.206 -17.971 846 H ASP 112 H ASP 112 -15.042 4.523 -11.748 847 HA ASP 112 HA ASP 112 -16.483 3.332 -9.665 848 1HB ASP 112 2HB ASP 112 -17.511 2.598 -12.280 849 2HB ASP 112 1HB ASP 112 -16.924 1.180 -11.413 850 H ILE 113 H ILE 113 -13.756 3.867 -10.704 851 HA ILE 113 HA ILE 113 -12.644 1.093 -10.553 852 HB ILE 113 HB ILE 113 -10.665 1.963 -11.707 853 1HG1 ILE 113 2HG1 ILE 113 -12.178 4.594 -11.658 854 2HG1 ILE 113 1HG1 ILE 113 -10.689 4.238 -10.785 855 1HG2 ILE 113 1HG2 ILE 113 -12.752 3.140 -13.432 856 2HG2 ILE 113 2HG2 ILE 113 -13.120 1.521 -12.840 857 3HG2 ILE 113 3HG2 ILE 113 -11.642 1.809 -13.758 858 1HD1 ILE 113 1HD1 ILE 113 -10.978 5.170 -13.474 859 2HD1 ILE 113 2HD1 ILE 113 -10.268 3.557 -13.525 860 3HD1 ILE 113 3HD1 ILE 113 -9.489 4.834 -12.590 861 H ILE 114 H ILE 114 -10.307 1.192 -9.539 862 HA ILE 114 HA ILE 114 -10.398 3.062 -7.203 863 HB ILE 114 HB ILE 114 -10.875 0.960 -6.249 864 1HG1 ILE 114 2HG1 ILE 114 -7.849 1.011 -6.185 865 2HG1 ILE 114 1HG1 ILE 114 -8.830 2.188 -5.314 866 1HG2 ILE 114 1HG2 ILE 114 -9.062 -0.034 -8.412 867 2HG2 ILE 114 2HG2 ILE 114 -10.631 -0.652 -7.894 868 3HG2 ILE 114 3HG2 ILE 114 -9.189 -0.989 -6.935 869 1HD1 ILE 114 1HD1 ILE 114 -8.431 -0.710 -4.780 870 2HD1 ILE 114 2HD1 ILE 114 -10.050 -0.073 -4.499 871 3HD1 ILE 114 3HD1 ILE 114 -8.669 0.620 -3.648 872 H TYR 115 H TYR 115 -8.568 4.244 -6.907 873 HA TYR 115 HA TYR 115 -6.223 3.596 -8.630 874 1HB TYR 115 2HB TYR 115 -6.671 5.820 -9.066 875 2HB TYR 115 1HB TYR 115 -7.357 6.104 -7.467 876 HD1 TYR 115 HD1 TYR 115 -6.008 6.875 -5.653 877 HD2 TYR 115 HD2 TYR 115 -4.173 5.636 -9.334 878 HE1 TYR 115 HE1 TYR 115 -3.841 7.804 -4.886 879 HE2 TYR 115 HE2 TYR 115 -2.006 6.564 -8.565 880 HH TYR 115 HH TYR 115 -1.148 8.176 -7.001 881 H ASP 116 H ASP 116 -5.151 2.049 -7.357 882 HA ASP 116 HA ASP 116 -3.956 3.118 -4.856 883 1HB ASP 116 2HB ASP 116 -5.994 1.670 -4.345 884 2HB ASP 116 1HB ASP 116 -5.080 0.314 -5.008 885 H GLY 117 H GLY 117 -2.080 3.285 -6.343 886 1HA GLY 117 2HA GLY 117 -0.102 1.416 -6.019 887 2HA GLY 117 1HA GLY 117 -0.964 0.807 -7.431 888 H TRP 118 H TRP 118 0.697 3.703 -6.183 889 HA TRP 118 HA TRP 118 1.288 4.428 -9.026 890 1HB TRP 118 2HB TRP 118 1.068 6.672 -8.520 891 2HB TRP 118 1HB TRP 118 -0.076 6.009 -7.355 892 HD1 TRP 118 HD1 TRP 118 0.795 5.735 -4.807 893 HE1 TRP 118 HE1 TRP 118 2.575 7.064 -3.497 894 HE3 TRP 118 HE3 TRP 118 3.282 7.943 -8.685 895 HZ2 TRP 118 HZ2 TRP 118 4.764 8.829 -4.025 896 HZ3 TRP 118 HZ3 TRP 118 5.208 9.440 -8.253 897 HH2 TRP 118 HH2 TRP 118 5.952 9.886 -5.930 898 H GLY 119 H GLY 119 3.470 5.104 -9.479 899 1HA GLY 119 2HA GLY 119 5.473 5.062 -7.351 900 2HA GLY 119 1HA GLY 119 5.557 3.661 -8.418 901 H THR 120 H THR 120 7.715 5.366 -8.338 902 HA THR 120 HA THR 120 7.521 6.730 -10.994 903 HB THR 120 HB THR 120 7.651 8.447 -9.267 904 HG1 THR 120 HG1 THR 120 9.572 7.987 -11.093 905 1HG2 THR 120 1HG2 THR 120 10.256 7.251 -8.336 906 2HG2 THR 120 2HG2 THR 120 8.721 6.771 -7.611 907 3HG2 THR 120 3HG2 THR 120 9.247 8.453 -7.531 908 H TYR 121 H TYR 121 9.774 6.962 -11.998 909 HA TYR 121 HA TYR 121 11.142 4.365 -11.756 910 1HB TYR 121 2HB TYR 121 10.684 6.190 -13.854 911 2HB TYR 121 1HB TYR 121 12.423 6.232 -13.565 912 HD1 TYR 121 HD1 TYR 121 9.684 4.356 -14.961 913 HD2 TYR 121 HD2 TYR 121 13.691 4.011 -13.456 914 HE1 TYR 121 HE1 TYR 121 9.928 2.173 -16.113 915 HE2 TYR 121 HE2 TYR 121 13.937 1.828 -14.607 916 HH TYR 121 HH TYR 121 12.922 0.259 -15.805 917 H TYR 122 H TYR 122 12.488 4.311 -9.983 918 HA TYR 122 HA TYR 122 13.897 6.567 -8.926 919 1HB TYR 122 2HB TYR 122 13.419 4.207 -7.882 920 2HB TYR 122 1HB TYR 122 14.940 3.760 -8.655 921 HD1 TYR 122 HD1 TYR 122 13.436 5.291 -5.800 922 HD2 TYR 122 HD2 TYR 122 16.979 5.322 -8.230 923 HE1 TYR 122 HE1 TYR 122 14.693 6.369 -3.953 924 HE2 TYR 122 HE2 TYR 122 18.236 6.398 -6.383 925 HH TYR 122 HH TYR 122 18.057 6.558 -3.887 926 H GLU 123 H GLU 123 16.091 7.194 -9.208 927 HA GLU 123 HA GLU 123 17.250 6.310 -11.799 928 1HB GLU 123 2HB GLU 123 16.858 8.799 -11.101 929 2HB GLU 123 1HB GLU 123 18.310 8.580 -10.126 930 1HG GLU 123 2HG GLU 123 18.850 7.477 -12.698 931 2HG GLU 123 1HG GLU 123 18.119 9.062 -12.949 932 H GLY 124 H GLY 124 18.046 4.272 -10.895 933 1HA GLY 124 2HA GLY 124 20.765 4.469 -9.945 934 2HA GLY 124 1HA GLY 124 19.687 3.942 -8.652 935 H LEU 125 H LEU 125 19.705 1.760 -8.463 936 HA LEU 125 HA LEU 125 19.800 -0.510 -9.059 937 1HB LEU 125 2HB LEU 125 17.847 0.723 -10.635 938 2HB LEU 125 1HB LEU 125 18.812 -0.201 -11.785 939 HG LEU 125 HG LEU 125 18.616 -2.154 -10.118 940 1HD1 LEU 125 1HD1 LEU 125 17.803 -1.221 -8.138 941 2HD1 LEU 125 2HD1 LEU 125 16.326 -1.867 -8.854 942 3HD1 LEU 125 3HD1 LEU 125 16.689 -0.147 -8.984 943 1HD2 LEU 125 1HD2 LEU 125 16.386 -2.773 -11.005 944 2HD2 LEU 125 2HD2 LEU 125 17.401 -2.068 -12.262 945 3HD2 LEU 125 3HD2 LEU 125 16.130 -1.104 -11.510 946 H GLU 126 H GLU 126 22.113 -0.598 -9.179 947 HA GLU 126 HA GLU 126 23.291 -0.221 -11.891 948 1HB GLU 126 2HB GLU 126 24.799 -0.765 -9.327 949 2HB GLU 126 1HB GLU 126 25.416 -0.066 -10.824 950 1HG GLU 126 2HG GLU 126 23.579 1.770 -10.374 951 2HG GLU 126 1HG GLU 126 23.706 1.199 -8.710 952 H HIS 127 H HIS 127 24.331 -1.942 -12.939 953 HA HIS 127 HA HIS 127 24.723 -4.188 -13.495 954 1HB HIS 127 2HB HIS 127 25.241 -4.003 -10.568 955 2HB HIS 127 1HB HIS 127 25.046 -5.623 -11.237 956 HD2 HIS 127 HD2 HIS 127 27.603 -6.512 -11.776 957 HE1 HIS 127 HE1 HIS 127 29.148 -2.945 -13.427 958 HE2 HIS 127 HE2 HIS 127 29.662 -5.372 -12.898 959 H HIS 128 H HIS 128 22.548 -4.485 -14.301 960 HA HIS 128 HA HIS 128 20.217 -5.014 -12.891 961 1HB HIS 128 2HB HIS 128 21.290 -6.268 -15.424 962 2HB HIS 128 1HB HIS 128 19.688 -6.660 -14.798 963 HD2 HIS 128 HD2 HIS 128 18.007 -4.201 -14.479 964 HE1 HIS 128 HE1 HIS 128 20.110 -2.167 -17.526 965 HE2 HIS 128 HE2 HIS 128 18.014 -2.154 -16.095 966 H HIS 129 H HIS 129 19.672 -6.533 -11.384 967 HA HIS 129 HA HIS 129 20.427 -9.291 -11.557 968 1HB HIS 129 2HB HIS 129 22.559 -7.814 -10.746 969 2HB HIS 129 1HB HIS 129 21.801 -8.154 -9.190 970 HD2 HIS 129 HD2 HIS 129 22.076 -10.796 -8.307 971 HE1 HIS 129 HE1 HIS 129 23.942 -12.316 -11.777 972 HE2 HIS 129 HE2 HIS 129 23.268 -12.849 -9.391 973 H HIS 130 H HIS 130 19.825 -10.474 -9.497 974 HA HIS 130 HA HIS 130 17.876 -8.921 -7.853 975 1HB HIS 130 2HB HIS 130 17.248 -11.756 -8.572 976 2HB HIS 130 1HB HIS 130 16.151 -10.419 -8.229 977 HD2 HIS 130 HD2 HIS 130 14.864 -9.837 -10.600 978 HE1 HIS 130 HE1 HIS 130 18.159 -10.281 -13.206 979 HE2 HIS 130 HE2 HIS 130 15.702 -9.665 -13.065 980 H HIS 131 H HIS 131 17.282 -11.838 -6.815 981 HA HIS 131 HA HIS 131 19.778 -12.182 -5.224 982 1HB HIS 131 2HB HIS 131 17.732 -10.854 -4.113 983 2HB HIS 131 1HB HIS 131 17.175 -12.498 -3.800 984 HD2 HIS 131 HD2 HIS 131 17.891 -12.560 -1.069 985 HE1 HIS 131 HE1 HIS 131 22.011 -11.824 -1.630 986 HE2 HIS 131 HE2 HIS 131 20.238 -12.467 0.066 987 H HIS 132 HN HIS 132 18.593 -14.206 -3.533 988 HA HIS 132 HA HIS 132 18.259 -16.529 -3.561 989 1HB HIS 132 2HB HIS 132 16.062 -15.844 -4.488 990 2HB HIS 132 1HB HIS 132 16.750 -15.880 -6.112 991 HD2 HIS 132 HD2 HIS 132 17.884 -18.801 -3.815 992 HE1 HIS 132 HE1 HIS 132 14.935 -20.337 -6.418 993 HE2 HIS 132 HE2 HIS 132 16.689 -20.947 -4.691 Start of MODEL 6 1 1H MET 1 1H MET 1 -10.920 -8.767 -3.054 2 2H MET 1 2H MET 1 -11.802 -7.561 -2.245 3 3H MET 1 3H MET 1 -10.227 -7.950 -1.739 4 HA MET 1 HA MET 1 -9.230 -6.927 -3.543 5 1HB MET 1 2HB MET 1 -10.699 -6.152 -5.490 6 2HB MET 1 1HB MET 1 -10.466 -7.894 -5.345 7 1HG MET 1 2HG MET 1 -12.813 -6.525 -4.038 8 2HG MET 1 1HG MET 1 -12.879 -7.036 -5.725 9 1HE MET 1 1HE MET 1 -14.963 -8.678 -5.168 10 2HE MET 1 2HE MET 1 -14.334 -10.306 -5.401 11 3HE MET 1 3HE MET 1 -13.755 -8.992 -6.422 12 H SER 2 H SER 2 -11.853 -5.079 -4.523 13 HA SER 2 HA SER 2 -11.021 -2.692 -3.311 14 1HB SER 2 2HB SER 2 -12.760 -2.974 -5.154 15 2HB SER 2 1HB SER 2 -13.919 -3.362 -3.885 16 HG SER 2 HG SER 2 -12.350 -1.080 -3.557 17 H HIS 3 H HIS 3 -12.899 -5.313 -1.967 18 HA HIS 3 HA HIS 3 -13.459 -5.713 0.289 19 1HB HIS 3 2HB HIS 3 -11.290 -4.213 0.587 20 2HB HIS 3 1HB HIS 3 -12.467 -3.004 1.100 21 HD2 HIS 3 HD2 HIS 3 -10.412 -5.541 2.832 22 HE1 HIS 3 HE1 HIS 3 -14.048 -5.603 4.979 23 HE2 HIS 3 HE2 HIS 3 -11.615 -6.317 5.012 24 H GLN 4 H GLN 4 -14.150 -2.610 -1.205 25 HA GLN 4 HA GLN 4 -16.066 -1.256 -1.115 26 1HB GLN 4 2HB GLN 4 -17.169 -3.987 -0.438 27 2HB GLN 4 1HB GLN 4 -18.209 -2.569 -0.566 28 1HG GLN 4 2HG GLN 4 -17.112 -2.190 -2.866 29 2HG GLN 4 1HG GLN 4 -16.519 -3.844 -2.716 30 1HE2 GLN 4 1HE2 GLN 4 -18.610 -5.246 -1.637 31 2HE2 GLN 4 2HE2 GLN 4 -19.997 -5.124 -2.608 32 H ASP 5 H ASP 5 -15.410 0.072 0.641 33 HA ASP 5 HA ASP 5 -15.858 -0.786 3.398 34 1HB ASP 5 2HB ASP 5 -14.955 1.758 2.067 35 2HB ASP 5 1HB ASP 5 -15.416 1.771 3.770 36 H ASP 6 H ASP 6 -16.855 2.410 3.050 37 HA ASP 6 HA ASP 6 -19.684 1.882 2.548 38 1HB ASP 6 2HB ASP 6 -18.608 1.901 5.278 39 2HB ASP 6 1HB ASP 6 -19.906 3.071 5.041 40 H TYR 7 H TYR 7 -17.077 4.033 3.465 41 HA TYR 7 HA TYR 7 -18.500 6.244 2.092 42 1HB TYR 7 2HB TYR 7 -17.567 6.255 4.956 43 2HB TYR 7 1HB TYR 7 -17.606 7.754 4.027 44 HD1 TYR 7 HD1 TYR 7 -19.582 5.213 5.726 45 HD2 TYR 7 HD2 TYR 7 -19.763 8.553 3.030 46 HE1 TYR 7 HE1 TYR 7 -22.026 5.390 6.109 47 HE2 TYR 7 HE2 TYR 7 -22.206 8.729 3.413 48 HH TYR 7 HH TYR 7 -23.860 6.610 5.744 49 H LEU 8 H LEU 8 -16.570 5.070 0.770 50 HA LEU 8 HA LEU 8 -13.877 5.455 1.247 51 1HB LEU 8 2HB LEU 8 -14.682 6.335 -1.454 52 2HB LEU 8 1HB LEU 8 -13.604 5.024 -0.972 53 HG LEU 8 HG LEU 8 -15.813 3.870 -0.153 54 1HD1 LEU 8 1HD1 LEU 8 -17.820 4.581 -1.118 55 2HD1 LEU 8 2HD1 LEU 8 -17.001 5.479 -2.397 56 3HD1 LEU 8 3HD1 LEU 8 -17.033 6.118 -0.753 57 1HD2 LEU 8 1HD2 LEU 8 -14.289 3.234 -2.101 58 2HD2 LEU 8 2HD2 LEU 8 -15.380 4.156 -3.137 59 3HD2 LEU 8 3HD2 LEU 8 -15.975 2.743 -2.263 60 H SER 9 H SER 9 -13.627 7.364 2.561 61 HA SER 9 HA SER 9 -14.359 9.982 1.507 62 1HB SER 9 2HB SER 9 -13.521 8.920 4.009 63 2HB SER 9 1HB SER 9 -12.353 10.157 3.557 64 HG SER 9 HG SER 9 -13.820 11.588 3.975 65 H VAL 10 H VAL 10 -13.255 10.743 -0.244 66 HA VAL 10 HA VAL 10 -10.657 9.907 -1.050 67 HB VAL 10 HB VAL 10 -10.690 11.826 -2.558 68 1HG1 VAL 10 1HG1 VAL 10 -13.453 10.641 -2.148 69 2HG1 VAL 10 2HG1 VAL 10 -12.160 9.941 -3.121 70 3HG1 VAL 10 3HG1 VAL 10 -12.908 11.461 -3.610 71 1HG2 VAL 10 1HG2 VAL 10 -12.258 12.967 -0.409 72 2HG2 VAL 10 2HG2 VAL 10 -13.142 13.093 -1.931 73 3HG2 VAL 10 3HG2 VAL 10 -11.524 13.779 -1.792 74 H GLU 11 H GLU 11 -11.659 12.018 1.458 75 HA GLU 11 HA GLU 11 -9.318 13.705 1.568 76 1HB GLU 11 2HB GLU 11 -11.417 12.951 3.614 77 2HB GLU 11 1HB GLU 11 -10.103 14.074 3.967 78 1HG GLU 11 2HG GLU 11 -11.089 15.747 2.810 79 2HG GLU 11 1HG GLU 11 -11.454 14.691 1.446 80 H GLU 12 H GLU 12 -10.300 10.947 3.647 81 HA GLU 12 HA GLU 12 -7.838 10.707 5.022 82 1HB GLU 12 2HB GLU 12 -8.652 8.683 5.837 83 2HB GLU 12 1HB GLU 12 -10.150 9.467 5.337 84 1HG GLU 12 2HG GLU 12 -9.819 8.318 3.071 85 2HG GLU 12 1HG GLU 12 -8.583 7.341 3.867 86 H LEU 13 H LEU 13 -8.833 9.462 1.865 87 HA LEU 13 HA LEU 13 -6.522 7.768 1.492 88 1HB LEU 13 2HB LEU 13 -8.425 9.048 -0.494 89 2HB LEU 13 1HB LEU 13 -7.181 7.877 -0.933 90 HG LEU 13 HG LEU 13 -9.303 7.323 1.153 91 1HD1 LEU 13 1HD1 LEU 13 -10.393 7.698 -1.012 92 2HD1 LEU 13 2HD1 LEU 13 -10.413 5.979 -0.620 93 3HD1 LEU 13 3HD1 LEU 13 -9.253 6.603 -1.794 94 1HD2 LEU 13 1HD2 LEU 13 -8.596 4.927 0.382 95 2HD2 LEU 13 2HD2 LEU 13 -7.528 5.813 1.470 96 3HD2 LEU 13 3HD2 LEU 13 -7.162 5.736 -0.252 97 H ILE 14 H ILE 14 -7.305 11.107 0.536 98 HA ILE 14 HA ILE 14 -4.912 11.614 -0.927 99 HB ILE 14 HB ILE 14 -6.780 13.427 0.615 100 1HG1 ILE 14 2HG1 ILE 14 -6.309 13.417 -2.353 101 2HG1 ILE 14 1HG1 ILE 14 -7.321 12.162 -1.638 102 1HG2 ILE 14 1HG2 ILE 14 -4.136 13.975 -0.581 103 2HG2 ILE 14 2HG2 ILE 14 -5.045 14.900 0.614 104 3HG2 ILE 14 3HG2 ILE 14 -5.418 15.068 -1.101 105 1HD1 ILE 14 1HD1 ILE 14 -8.664 13.976 -0.524 106 2HD1 ILE 14 2HD1 ILE 14 -8.761 13.999 -2.285 107 3HD1 ILE 14 3HD1 ILE 14 -7.732 15.158 -1.444 108 H GLU 15 H GLU 15 -5.661 11.867 2.530 109 HA GLU 15 HA GLU 15 -3.231 13.146 3.321 110 1HB GLU 15 2HB GLU 15 -5.456 11.759 4.628 111 2HB GLU 15 1HB GLU 15 -3.915 11.501 5.450 112 1HG GLU 15 2HG GLU 15 -4.828 14.252 4.594 113 2HG GLU 15 1HG GLU 15 -5.260 13.569 6.162 114 H ILE 16 H ILE 16 -4.103 9.671 3.476 115 HA ILE 16 HA ILE 16 -1.650 8.633 4.289 116 HB ILE 16 HB ILE 16 -3.703 7.556 2.351 117 1HG1 ILE 16 2HG1 ILE 16 -2.977 6.374 5.007 118 2HG1 ILE 16 1HG1 ILE 16 -3.928 7.860 4.982 119 1HG2 ILE 16 1HG2 ILE 16 -2.439 5.331 2.882 120 2HG2 ILE 16 2HG2 ILE 16 -1.071 6.388 3.229 121 3HG2 ILE 16 3HG2 ILE 16 -1.801 6.389 1.624 122 1HD1 ILE 16 1HD1 ILE 16 -5.544 6.746 3.433 123 2HD1 ILE 16 2HD1 ILE 16 -5.444 5.954 5.006 124 3HD1 ILE 16 3HD1 ILE 16 -4.629 5.248 3.610 125 H GLN 17 H GLN 17 -2.608 8.706 0.837 126 HA GLN 17 HA GLN 17 -0.134 8.175 -0.299 127 1HB GLN 17 2HB GLN 17 -2.251 10.126 -1.246 128 2HB GLN 17 1HB GLN 17 -0.891 9.594 -2.236 129 1HG GLN 17 2HG GLN 17 -1.763 7.505 -2.552 130 2HG GLN 17 1HG GLN 17 -2.451 7.436 -0.929 131 1HE2 GLN 17 1HE2 GLN 17 -3.109 10.234 -2.962 132 2HE2 GLN 17 2HE2 GLN 17 -4.734 9.856 -3.277 133 H LYS 18 H LYS 18 -1.284 11.304 0.940 134 HA LYS 18 HA LYS 18 0.877 12.905 0.038 135 1HB LYS 18 2HB LYS 18 -1.371 13.301 1.621 136 2HB LYS 18 1HB LYS 18 -0.033 13.593 2.733 137 1HG LYS 18 2HG LYS 18 0.973 15.051 0.861 138 2HG LYS 18 1HG LYS 18 -0.627 14.985 0.122 139 1HD LYS 18 2HD LYS 18 -0.132 15.878 2.975 140 2HD LYS 18 1HD LYS 18 -0.269 16.989 1.611 141 1HE LYS 18 2HE LYS 18 -2.525 16.050 1.116 142 2HE LYS 18 1HE LYS 18 -2.390 15.039 2.556 143 1HZ LYS 18 1HZ LYS 18 -2.876 16.748 3.870 144 2HZ LYS 18 2HZ LYS 18 -3.372 17.575 2.472 145 3HZ LYS 18 3HZ LYS 18 -1.800 17.791 3.077 146 H GLU 19 H GLU 19 0.566 10.868 2.931 147 HA GLU 19 HA GLU 19 3.140 11.657 4.016 148 1HB GLU 19 2HB GLU 19 1.169 9.456 4.603 149 2HB GLU 19 1HB GLU 19 2.762 9.452 5.358 150 1HG GLU 19 2HG GLU 19 2.369 11.489 6.480 151 2HG GLU 19 1HG GLU 19 1.025 11.915 5.421 152 H GLU 20 H GLU 20 2.011 8.599 2.519 153 HA GLU 20 HA GLU 20 4.463 7.278 2.342 154 1HB GLU 20 2HB GLU 20 2.383 7.310 0.137 155 2HB GLU 20 1HB GLU 20 3.530 6.019 0.500 156 1HG GLU 20 2HG GLU 20 1.109 6.881 2.073 157 2HG GLU 20 1HG GLU 20 1.543 5.267 1.514 158 H THR 21 H THR 21 3.067 9.248 -0.314 159 HA THR 21 HA THR 21 5.284 9.307 -2.003 160 HB THR 21 HB THR 21 3.401 11.606 -1.392 161 HG1 THR 21 HG1 THR 21 2.686 10.577 -3.579 162 1HG2 THR 21 1HG2 THR 21 3.995 12.332 -3.699 163 2HG2 THR 21 2HG2 THR 21 5.207 11.052 -3.762 164 3HG2 THR 21 3HG2 THR 21 5.377 12.371 -2.603 165 H ARG 22 H ARG 22 4.557 11.914 0.349 166 HA ARG 22 HA ARG 22 6.854 13.396 0.236 167 1HB ARG 22 2HB ARG 22 4.818 13.390 1.958 168 2HB ARG 22 1HB ARG 22 5.998 12.574 2.982 169 1HG ARG 22 2HG ARG 22 7.459 14.417 2.985 170 2HG ARG 22 1HG ARG 22 6.728 15.120 1.541 171 1HD ARG 22 2HD ARG 22 6.168 15.966 4.062 172 2HD ARG 22 1HD ARG 22 5.039 16.107 2.714 173 HE ARG 22 HE ARG 22 4.540 13.579 3.740 174 1HH1 ARG 22 1HH2 ARG 22 4.699 16.801 4.960 175 2HH1 ARG 22 2HH2 ARG 22 3.530 16.527 6.209 176 1HH2 ARG 22 2HH1 ARG 22 3.014 13.204 5.364 177 2HH2 ARG 22 1HH1 ARG 22 2.576 14.490 6.437 178 H ASP 23 H ASP 23 6.549 10.213 1.771 179 HA ASP 23 HA ASP 23 9.192 10.174 2.904 180 1HB ASP 23 2HB ASP 23 6.956 8.365 2.659 181 2HB ASP 23 1HB ASP 23 8.448 7.520 2.250 182 H ILE 24 H ILE 24 7.884 8.869 -0.156 183 HA ILE 24 HA ILE 24 10.367 7.815 -1.107 184 HB ILE 24 HB ILE 24 8.139 8.916 -2.837 185 1HG1 ILE 24 2HG1 ILE 24 8.287 6.106 -1.732 186 2HG1 ILE 24 1HG1 ILE 24 7.401 7.383 -0.898 187 1HG2 ILE 24 1HG2 ILE 24 10.421 8.035 -3.744 188 2HG2 ILE 24 2HG2 ILE 24 8.934 7.432 -4.478 189 3HG2 ILE 24 3HG2 ILE 24 9.799 6.446 -3.300 190 1HD1 ILE 24 1HD1 ILE 24 6.692 7.462 -3.673 191 2HD1 ILE 24 2HD1 ILE 24 5.659 7.102 -2.289 192 3HD1 ILE 24 3HD1 ILE 24 6.528 5.802 -3.102 193 H ILE 25 H ILE 25 8.706 10.818 -2.156 194 HA ILE 25 HA ILE 25 10.621 11.972 -3.740 195 HB ILE 25 HB ILE 25 9.318 13.568 -1.527 196 1HG1 ILE 25 2HG1 ILE 25 7.555 12.179 -2.380 197 2HG1 ILE 25 1HG1 ILE 25 7.384 13.744 -3.179 198 1HG2 ILE 25 1HG2 ILE 25 9.164 14.755 -4.112 199 2HG2 ILE 25 2HG2 ILE 25 10.816 14.175 -3.900 200 3HG2 ILE 25 3HG2 ILE 25 10.116 15.294 -2.730 201 1HD1 ILE 25 1HD1 ILE 25 7.204 12.217 -4.961 202 2HD1 ILE 25 2HD1 ILE 25 8.459 11.165 -4.306 203 3HD1 ILE 25 3HD1 ILE 25 8.895 12.714 -5.028 204 H GLN 26 H GLN 26 10.646 12.097 -0.161 205 HA GLN 26 HA GLN 26 13.078 13.553 0.088 206 1HB GLN 26 2HB GLN 26 11.928 11.441 1.938 207 2HB GLN 26 1HB GLN 26 13.185 12.600 2.370 208 1HG GLN 26 2HG GLN 26 10.642 13.665 1.214 209 2HG GLN 26 1HG GLN 26 10.617 13.098 2.884 210 1HE2 GLN 26 1HE2 GLN 26 10.921 14.854 4.258 211 2HE2 GLN 26 2HE2 GLN 26 12.015 16.124 3.992 212 H ALA 27 H ALA 27 12.477 10.045 -0.119 213 HA ALA 27 HA ALA 27 15.182 9.217 0.236 214 1HB ALA 27 1HB ALA 27 12.702 8.023 -0.876 215 2HB ALA 27 2HB ALA 27 13.842 7.362 0.297 216 3HB ALA 27 3HB ALA 27 14.216 7.303 -1.425 217 H LEU 28 H LEU 28 13.396 9.336 -2.868 218 HA LEU 28 HA LEU 28 15.508 9.041 -4.628 219 1HB LEU 28 2HB LEU 28 13.421 11.175 -5.086 220 2HB LEU 28 1HB LEU 28 14.186 10.120 -6.275 221 HG LEU 28 HG LEU 28 12.238 9.279 -4.108 222 1HD1 LEU 28 1HD1 LEU 28 10.773 9.905 -5.727 223 2HD1 LEU 28 2HD1 LEU 28 11.280 8.422 -6.536 224 3HD1 LEU 28 3HD1 LEU 28 12.026 9.960 -6.967 225 1HD2 LEU 28 1HD2 LEU 28 13.865 7.522 -4.358 226 2HD2 LEU 28 2HD2 LEU 28 13.852 7.681 -6.115 227 3HD2 LEU 28 3HD2 LEU 28 12.441 7.034 -5.278 228 H LEU 29 H LEU 29 14.407 12.170 -3.272 229 HA LEU 29 HA LEU 29 16.345 13.837 -4.414 230 1HB LEU 29 2HB LEU 29 14.936 13.893 -1.751 231 2HB LEU 29 1HB LEU 29 16.135 15.121 -2.156 232 HG LEU 29 HG LEU 29 13.845 14.449 -4.009 233 1HD1 LEU 29 1HD1 LEU 29 12.638 16.355 -3.059 234 2HD1 LEU 29 2HD1 LEU 29 13.936 16.626 -1.898 235 3HD1 LEU 29 3HD1 LEU 29 12.955 15.164 -1.798 236 1HD2 LEU 29 1HD2 LEU 29 14.968 15.892 -5.331 237 2HD2 LEU 29 2HD2 LEU 29 16.137 16.218 -4.052 238 3HD2 LEU 29 3HD2 LEU 29 14.647 17.156 -4.144 239 H GLU 30 H GLU 30 16.665 11.611 -1.692 240 HA GLU 30 HA GLU 30 19.301 12.556 -0.921 241 1HB GLU 30 2HB GLU 30 17.560 11.155 0.453 242 2HB GLU 30 1HB GLU 30 18.305 9.775 -0.352 243 1HG GLU 30 2HG GLU 30 20.501 11.235 0.454 244 2HG GLU 30 1HG GLU 30 19.369 11.491 1.784 245 H ASP 31 H ASP 31 18.066 9.976 -3.021 246 HA ASP 31 HA ASP 31 20.859 9.634 -4.031 247 1HB ASP 31 2HB ASP 31 18.957 7.613 -3.003 248 2HB ASP 31 1HB ASP 31 19.749 7.191 -4.521 249 H GLY 32 H GLY 32 18.950 11.389 -5.152 250 1HA GLY 32 2HA GLY 32 18.972 10.573 -7.885 251 2HA GLY 32 1HA GLY 32 17.358 10.290 -7.229 252 H SER 33 H SER 33 19.364 12.892 -6.029 253 HA SER 33 HA SER 33 17.355 14.869 -6.417 254 1HB SER 33 2HB SER 33 19.727 14.777 -5.065 255 2HB SER 33 1HB SER 33 20.153 15.829 -6.412 256 HG SER 33 HG SER 33 18.216 17.029 -5.871 257 H ASP 34 H ASP 34 16.839 14.298 -8.735 258 HA ASP 34 HA ASP 34 18.473 16.016 -10.540 259 1HB ASP 34 2HB ASP 34 17.726 13.126 -10.945 260 2HB ASP 34 1HB ASP 34 17.952 14.191 -12.333 261 HA PRO 35 HA PRO 35 13.727 16.410 -10.699 262 1HB PRO 35 2HB PRO 35 13.662 19.029 -9.823 263 2HB PRO 35 1HB PRO 35 13.443 17.617 -8.772 264 1HG PRO 35 2HG PRO 35 15.848 19.308 -9.196 265 2HG PRO 35 1HG PRO 35 15.248 18.542 -7.715 266 1HD PRO 35 2HD PRO 35 17.341 17.534 -9.150 267 2HD PRO 35 1HD PRO 35 16.240 16.507 -8.205 268 H ASP 36 H ASP 36 16.491 18.200 -11.814 269 HA ASP 36 HA ASP 36 14.934 19.808 -13.724 270 1HB ASP 36 2HB ASP 36 17.103 20.563 -12.594 271 2HB ASP 36 1HB ASP 36 17.936 19.444 -13.673 272 H ALA 37 H ALA 37 16.020 16.641 -13.595 273 HA ALA 37 HA ALA 37 16.500 16.449 -16.518 274 1HB ALA 37 1HB ALA 37 17.131 14.114 -16.033 275 2HB ALA 37 2HB ALA 37 16.663 14.335 -14.347 276 3HB ALA 37 3HB ALA 37 18.031 15.232 -15.008 277 H LEU 38 H LEU 38 13.838 16.743 -14.790 278 HA LEU 38 HA LEU 38 11.609 16.109 -15.149 279 1HB LEU 38 2HB LEU 38 12.891 15.902 -17.657 280 2HB LEU 38 1HB LEU 38 11.965 14.413 -17.473 281 HG LEU 38 HG LEU 38 10.657 16.259 -18.541 282 1HD1 LEU 38 1HD1 LEU 38 8.732 16.131 -16.803 283 2HD1 LEU 38 2HD1 LEU 38 9.824 15.091 -15.889 284 3HD1 LEU 38 3HD1 LEU 38 9.312 14.624 -17.511 285 1HD2 LEU 38 1HD2 LEU 38 11.871 17.854 -16.655 286 2HD2 LEU 38 2HD2 LEU 38 10.254 17.652 -15.977 287 3HD2 LEU 38 3HD2 LEU 38 10.454 18.317 -17.599 288 H TYR 39 H TYR 39 10.343 14.395 -14.433 289 HA TYR 39 HA TYR 39 11.771 11.791 -14.053 290 1HB TYR 39 2HB TYR 39 10.240 13.498 -12.199 291 2HB TYR 39 1HB TYR 39 9.784 11.795 -12.156 292 HD1 TYR 39 HD1 TYR 39 12.762 14.057 -12.069 293 HD2 TYR 39 HD2 TYR 39 11.116 10.233 -11.010 294 HE1 TYR 39 HE1 TYR 39 14.804 13.541 -10.760 295 HE2 TYR 39 HE2 TYR 39 13.158 9.716 -9.702 296 HH TYR 39 HH TYR 39 15.856 12.044 -9.510 297 H GLU 40 H GLU 40 10.134 9.932 -13.790 298 HA GLU 40 HA GLU 40 7.813 10.378 -15.627 299 1HB GLU 40 2HB GLU 40 9.675 9.061 -16.671 300 2HB GLU 40 1HB GLU 40 9.481 7.855 -15.398 301 1HG GLU 40 2HG GLU 40 7.148 7.484 -16.083 302 2HG GLU 40 1HG GLU 40 7.316 8.711 -17.341 303 H ILE 41 H ILE 41 5.974 10.171 -14.441 304 HA ILE 41 HA ILE 41 5.981 8.504 -12.002 305 HB ILE 41 HB ILE 41 3.620 10.019 -13.118 306 1HG1 ILE 41 2HG1 ILE 41 5.341 11.674 -13.099 307 2HG1 ILE 41 1HG1 ILE 41 4.468 11.892 -11.583 308 1HG2 ILE 41 1HG2 ILE 41 3.295 10.281 -10.561 309 2HG2 ILE 41 2HG2 ILE 41 4.507 9.008 -10.417 310 3HG2 ILE 41 3HG2 ILE 41 2.993 8.692 -11.264 311 1HD1 ILE 41 1HD1 ILE 41 6.176 10.444 -10.454 312 2HD1 ILE 41 2HD1 ILE 41 6.851 11.935 -11.110 313 3HD1 ILE 41 3HD1 ILE 41 7.084 10.411 -11.965 314 H GLU 42 H GLU 42 4.400 6.797 -11.691 315 HA GLU 42 HA GLU 42 3.136 5.775 -14.190 316 1HB GLU 42 2HB GLU 42 5.034 4.403 -14.168 317 2HB GLU 42 1HB GLU 42 5.097 4.355 -12.406 318 1HG GLU 42 2HG GLU 42 3.304 2.831 -12.259 319 2HG GLU 42 1HG GLU 42 2.760 3.179 -13.900 320 H HIS 43 H HIS 43 1.014 5.418 -13.774 321 HA HIS 43 HA HIS 43 0.241 4.752 -10.963 322 1HB HIS 43 2HB HIS 43 -1.527 6.047 -13.051 323 2HB HIS 43 1HB HIS 43 -1.838 5.898 -11.321 324 HD2 HIS 43 HD2 HIS 43 0.237 8.151 -13.765 325 HE1 HIS 43 HE1 HIS 43 0.776 9.648 -9.852 326 HE2 HIS 43 HE2 HIS 43 1.210 10.087 -12.313 327 H HIS 44 H HIS 44 -1.025 2.936 -10.654 328 HA HIS 44 HA HIS 44 -1.727 1.395 -13.120 329 1HB HIS 44 2HB HIS 44 -0.471 0.630 -10.569 330 2HB HIS 44 1HB HIS 44 -1.790 -0.433 -11.061 331 HD2 HIS 44 HD2 HIS 44 -1.420 -1.401 -13.874 332 HE1 HIS 44 HE1 HIS 44 2.779 -1.021 -13.625 333 HE2 HIS 44 HE2 HIS 44 0.869 -2.018 -14.963 334 H LEU 45 H LEU 45 -3.864 0.942 -13.417 335 HA LEU 45 HA LEU 45 -5.693 1.169 -11.070 336 1HB LEU 45 2HB LEU 45 -6.001 2.485 -13.781 337 2HB LEU 45 1HB LEU 45 -7.336 2.301 -12.644 338 HG LEU 45 HG LEU 45 -5.368 3.357 -11.040 339 1HD1 LEU 45 1HD1 LEU 45 -5.228 4.836 -13.680 340 2HD1 LEU 45 2HD1 LEU 45 -3.999 3.684 -13.155 341 3HD1 LEU 45 3HD1 LEU 45 -4.289 5.152 -12.222 342 1HD2 LEU 45 1HD2 LEU 45 -7.610 4.603 -12.636 343 2HD2 LEU 45 2HD2 LEU 45 -6.647 5.560 -11.510 344 3HD2 LEU 45 3HD2 LEU 45 -7.584 4.188 -10.923 345 H PHE 46 H PHE 46 -7.529 -0.212 -11.200 346 HA PHE 46 HA PHE 46 -7.648 -1.995 -13.586 347 1HB PHE 46 2HB PHE 46 -8.151 -3.884 -11.915 348 2HB PHE 46 1HB PHE 46 -6.473 -3.353 -12.029 349 HD1 PHE 46 HD1 PHE 46 -5.785 -1.397 -10.398 350 HD2 PHE 46 HD2 PHE 46 -9.176 -3.969 -9.819 351 HE1 PHE 46 HE1 PHE 46 -5.797 -0.837 -7.982 352 HE2 PHE 46 HE2 PHE 46 -9.189 -3.409 -7.404 353 HZ PHE 46 HZ PHE 46 -7.500 -1.842 -6.485 354 H ALA 47 H ALA 47 -9.740 -2.862 -14.003 355 HA ALA 47 HA ALA 47 -11.949 -1.861 -12.277 356 1HB ALA 47 1HB ALA 47 -12.340 -1.629 -15.221 357 2HB ALA 47 2HB ALA 47 -11.303 -0.424 -14.457 358 3HB ALA 47 3HB ALA 47 -12.972 -0.620 -13.921 359 H GLU 48 H GLU 48 -14.115 -2.801 -13.281 360 HA GLU 48 HA GLU 48 -13.557 -5.661 -13.949 361 1HB GLU 48 2HB GLU 48 -16.104 -4.574 -12.731 362 2HB GLU 48 1HB GLU 48 -15.564 -6.251 -12.794 363 1HG GLU 48 2HG GLU 48 -13.917 -5.916 -11.151 364 2HG GLU 48 1HG GLU 48 -13.909 -4.167 -11.381 365 H ASP 49 H ASP 49 -15.998 -3.092 -14.464 366 HA ASP 49 HA ASP 49 -17.062 -4.464 -16.816 367 1HB ASP 49 2HB ASP 49 -18.192 -2.740 -15.104 368 2HB ASP 49 1HB ASP 49 -17.643 -1.581 -16.316 369 H PHE 50 H PHE 50 -15.516 -4.576 -18.439 370 HA PHE 50 HA PHE 50 -13.501 -2.809 -19.120 371 1HB PHE 50 2HB PHE 50 -14.619 -3.536 -21.600 372 2HB PHE 50 1HB PHE 50 -13.338 -4.380 -20.729 373 HD1 PHE 50 HD1 PHE 50 -17.077 -4.020 -20.685 374 HD2 PHE 50 HD2 PHE 50 -13.691 -6.601 -20.126 375 HE1 PHE 50 HE1 PHE 50 -18.603 -5.934 -20.287 376 HE2 PHE 50 HE2 PHE 50 -15.216 -8.516 -19.727 377 HZ PHE 50 HZ PHE 50 -17.672 -8.183 -19.807 378 H ASP 51 H ASP 51 -16.829 -2.119 -19.091 379 HA ASP 51 HA ASP 51 -16.859 -0.115 -21.190 380 1HB ASP 51 2HB ASP 51 -18.747 -1.310 -19.403 381 2HB ASP 51 1HB ASP 51 -18.848 0.441 -19.212 382 H LYS 52 H LYS 52 -17.228 0.334 -17.652 383 HA LYS 52 HA LYS 52 -16.593 3.105 -17.697 384 1HB LYS 52 2HB LYS 52 -16.663 3.005 -15.376 385 2HB LYS 52 1HB LYS 52 -17.575 1.553 -15.792 386 1HG LYS 52 2HG LYS 52 -15.392 0.270 -15.663 387 2HG LYS 52 1HG LYS 52 -14.662 1.725 -14.984 388 1HD LYS 52 2HD LYS 52 -15.507 1.256 -12.953 389 2HD LYS 52 1HD LYS 52 -17.138 1.161 -13.618 390 1HE LYS 52 2HE LYS 52 -16.600 -1.180 -14.389 391 2HE LYS 52 1HE LYS 52 -15.087 -1.064 -13.493 392 1HZ LYS 52 1HZ LYS 52 -16.567 -2.058 -12.018 393 2HZ LYS 52 2HZ LYS 52 -17.851 -1.031 -12.448 394 3HZ LYS 52 3HZ LYS 52 -16.552 -0.433 -11.531 395 H LEU 53 H LEU 53 -14.562 0.330 -17.974 396 HA LEU 53 HA LEU 53 -12.130 1.538 -16.972 397 1HB LEU 53 2HB LEU 53 -12.640 -0.970 -17.365 398 2HB LEU 53 1HB LEU 53 -12.230 -0.648 -19.050 399 HG LEU 53 HG LEU 53 -10.433 -0.062 -16.677 400 1HD1 LEU 53 1HD1 LEU 53 -9.777 -2.061 -18.800 401 2HD1 LEU 53 2HD1 LEU 53 -10.949 -2.529 -17.568 402 3HD1 LEU 53 3HD1 LEU 53 -9.321 -2.043 -17.096 403 1HD2 LEU 53 1HD2 LEU 53 -8.776 0.086 -18.720 404 2HD2 LEU 53 2HD2 LEU 53 -9.788 1.473 -18.320 405 3HD2 LEU 53 3HD2 LEU 53 -10.246 0.400 -19.642 406 H GLU 54 H GLU 54 -13.046 0.718 -20.345 407 HA GLU 54 HA GLU 54 -11.019 2.311 -21.547 408 1HB GLU 54 2HB GLU 54 -12.508 0.535 -22.652 409 2HB GLU 54 1HB GLU 54 -13.728 1.802 -22.789 410 1HG GLU 54 2HG GLU 54 -12.296 3.157 -24.152 411 2HG GLU 54 1HG GLU 54 -10.901 2.132 -23.816 412 H LYS 55 H LYS 55 -14.008 3.201 -20.054 413 HA LYS 55 HA LYS 55 -14.289 5.754 -21.432 414 1HB LYS 55 2HB LYS 55 -15.528 4.574 -18.938 415 2HB LYS 55 1HB LYS 55 -15.870 6.221 -19.468 416 1HG LYS 55 2HG LYS 55 -16.075 4.238 -21.624 417 2HG LYS 55 1HG LYS 55 -17.229 3.975 -20.316 418 1HD LYS 55 2HD LYS 55 -18.275 6.028 -20.641 419 2HD LYS 55 1HD LYS 55 -16.847 6.753 -21.383 420 1HE LYS 55 2HE LYS 55 -18.406 6.396 -23.163 421 2HE LYS 55 1HE LYS 55 -17.186 5.132 -23.321 422 1HZ LYS 55 1HZ LYS 55 -18.720 3.584 -23.007 423 2HZ LYS 55 2HZ LYS 55 -19.911 4.794 -23.069 424 3HZ LYS 55 3HZ LYS 55 -19.262 4.310 -21.574 425 H ALA 56 H ALA 56 -13.329 4.860 -18.095 426 HA ALA 56 HA ALA 56 -12.464 7.487 -17.371 427 1HB ALA 56 1HB ALA 56 -11.869 6.528 -15.378 428 2HB ALA 56 2HB ALA 56 -11.033 5.186 -16.159 429 3HB ALA 56 3HB ALA 56 -12.790 5.161 -16.006 430 H ALA 57 H ALA 57 -10.871 4.837 -19.050 431 HA ALA 57 HA ALA 57 -8.191 5.873 -18.862 432 1HB ALA 57 1HB ALA 57 -8.197 4.464 -21.209 433 2HB ALA 57 2HB ALA 57 -9.596 3.770 -20.387 434 3HB ALA 57 3HB ALA 57 -8.010 3.731 -19.615 435 H VAL 58 H VAL 58 -10.622 6.048 -21.492 436 HA VAL 58 HA VAL 58 -9.181 7.624 -23.304 437 HB VAL 58 HB VAL 58 -12.101 7.414 -22.635 438 1HG1 VAL 58 1HG1 VAL 58 -10.817 9.409 -24.519 439 2HG1 VAL 58 2HG1 VAL 58 -11.900 9.753 -23.170 440 3HG1 VAL 58 3HG1 VAL 58 -12.515 8.943 -24.611 441 1HG2 VAL 58 1HG2 VAL 58 -10.370 6.841 -25.058 442 2HG2 VAL 58 2HG2 VAL 58 -12.125 6.669 -25.045 443 3HG2 VAL 58 3HG2 VAL 58 -11.132 5.658 -23.995 444 H GLU 59 H GLU 59 -11.396 8.857 -20.766 445 HA GLU 59 HA GLU 59 -10.923 11.590 -21.070 446 1HB GLU 59 2HB GLU 59 -12.309 10.120 -19.270 447 2HB GLU 59 1HB GLU 59 -10.940 10.603 -18.266 448 1HG GLU 59 2HG GLU 59 -12.551 12.335 -17.994 449 2HG GLU 59 1HG GLU 59 -11.357 12.986 -19.118 450 H ALA 60 H ALA 60 -9.063 9.357 -18.972 451 HA ALA 60 HA ALA 60 -7.138 11.111 -17.996 452 1HB ALA 60 1HB ALA 60 -5.721 8.778 -18.785 453 2HB ALA 60 2HB ALA 60 -7.356 8.263 -18.372 454 3HB ALA 60 3HB ALA 60 -6.384 9.145 -17.192 455 H PHE 61 H PHE 61 -7.059 9.410 -21.138 456 HA PHE 61 HA PHE 61 -4.603 10.378 -22.098 457 1HB PHE 61 2HB PHE 61 -5.927 8.723 -23.328 458 2HB PHE 61 1HB PHE 61 -7.178 9.928 -23.640 459 HD1 PHE 61 HD1 PHE 61 -3.427 9.838 -23.882 460 HD2 PHE 61 HD2 PHE 61 -7.155 10.731 -25.818 461 HE1 PHE 61 HE1 PHE 61 -2.198 10.594 -25.898 462 HE2 PHE 61 HE2 PHE 61 -5.927 11.488 -27.835 463 HZ PHE 61 HZ PHE 61 -3.448 11.419 -27.876 464 H LYS 62 H LYS 62 -7.827 11.871 -22.592 465 HA LYS 62 HA LYS 62 -7.067 14.179 -23.946 466 1HB LYS 62 2HB LYS 62 -9.418 13.467 -23.167 467 2HB LYS 62 1HB LYS 62 -9.029 14.281 -21.650 468 1HG LYS 62 2HG LYS 62 -9.926 16.085 -22.749 469 2HG LYS 62 1HG LYS 62 -8.281 16.211 -23.375 470 1HD LYS 62 2HD LYS 62 -9.301 14.440 -25.147 471 2HD LYS 62 1HD LYS 62 -10.765 15.340 -24.749 472 1HE LYS 62 2HE LYS 62 -9.632 16.394 -26.650 473 2HE LYS 62 1HE LYS 62 -9.574 17.462 -25.248 474 1HZ LYS 62 1HZ LYS 62 -7.400 15.630 -26.110 475 2HZ LYS 62 2HZ LYS 62 -7.347 16.677 -24.773 476 3HZ LYS 62 3HZ LYS 62 -7.423 17.309 -26.348 477 H MET 63 H MET 63 -6.876 13.573 -20.443 478 HA MET 63 HA MET 63 -5.971 16.190 -19.715 479 1HB MET 63 2HB MET 63 -5.356 13.534 -18.380 480 2HB MET 63 1HB MET 63 -5.190 15.126 -17.640 481 1HG MET 63 2HG MET 63 -7.585 15.521 -17.841 482 2HG MET 63 1HG MET 63 -7.792 14.004 -18.717 483 1HE MET 63 1HE MET 63 -9.607 14.411 -16.888 484 2HE MET 63 2HE MET 63 -9.565 13.538 -15.358 485 3HE MET 63 3HE MET 63 -9.527 12.643 -16.876 486 H GLY 64 H GLY 64 -4.063 13.181 -20.159 487 1HA GLY 64 2HA GLY 64 -2.068 13.821 -21.801 488 2HA GLY 64 1HA GLY 64 -1.627 14.850 -20.438 489 H PHE 65 H PHE 65 -2.998 11.560 -20.403 490 HA PHE 65 HA PHE 65 -0.573 10.712 -18.871 491 1HB PHE 65 2HB PHE 65 -3.481 10.008 -18.650 492 2HB PHE 65 1HB PHE 65 -2.278 8.808 -18.181 493 HD1 PHE 65 HD1 PHE 65 -0.532 9.424 -16.449 494 HD2 PHE 65 HD2 PHE 65 -3.964 11.875 -17.260 495 HE1 PHE 65 HE1 PHE 65 -0.212 10.588 -14.283 496 HE2 PHE 65 HE2 PHE 65 -3.644 13.041 -15.095 497 HZ PHE 65 HZ PHE 65 -1.768 12.396 -13.606 498 H GLU 66 H GLU 66 0.419 8.738 -19.467 499 HA GLU 66 HA GLU 66 -0.186 7.864 -22.223 500 1HB GLU 66 2HB GLU 66 2.078 7.411 -20.293 501 2HB GLU 66 1HB GLU 66 1.886 6.355 -21.692 502 1HG GLU 66 2HG GLU 66 3.365 8.168 -22.321 503 2HG GLU 66 1HG GLU 66 1.824 8.408 -23.145 504 H VAL 67 H VAL 67 -2.325 6.974 -21.313 505 HA VAL 67 HA VAL 67 -2.587 4.857 -19.531 506 HB VAL 67 HB VAL 67 -4.409 5.996 -20.936 507 1HG1 VAL 67 1HG1 VAL 67 -3.073 5.172 -23.074 508 2HG1 VAL 67 2HG1 VAL 67 -4.833 5.278 -23.099 509 3HG1 VAL 67 3HG1 VAL 67 -4.047 3.719 -22.847 510 1HG2 VAL 67 1HG2 VAL 67 -4.489 2.967 -20.750 511 2HG2 VAL 67 2HG2 VAL 67 -5.874 4.059 -20.757 512 3HG2 VAL 67 3HG2 VAL 67 -4.764 4.052 -19.388 513 H LEU 68 H LEU 68 -2.407 2.566 -19.710 514 HA LEU 68 HA LEU 68 -0.925 1.587 -22.110 515 1HB LEU 68 2HB LEU 68 0.066 1.816 -19.425 516 2HB LEU 68 1HB LEU 68 -0.060 0.105 -19.837 517 HG LEU 68 HG LEU 68 1.218 2.124 -21.692 518 1HD1 LEU 68 1HD1 LEU 68 3.188 2.018 -20.570 519 2HD1 LEU 68 2HD1 LEU 68 2.999 0.299 -20.228 520 3HD1 LEU 68 3HD1 LEU 68 2.216 1.494 -19.195 521 1HD2 LEU 68 1HD2 LEU 68 2.350 -0.065 -22.441 522 2HD2 LEU 68 2HD2 LEU 68 0.640 0.118 -22.837 523 3HD2 LEU 68 3HD2 LEU 68 1.129 -0.891 -21.474 524 H GLU 69 H GLU 69 -1.328 -0.626 -22.626 525 HA GLU 69 HA GLU 69 -3.948 -1.578 -22.154 526 1HB GLU 69 2HB GLU 69 -1.481 -3.195 -22.866 527 2HB GLU 69 1HB GLU 69 -3.153 -3.715 -23.087 528 1HG GLU 69 2HG GLU 69 -3.198 -1.297 -24.352 529 2HG GLU 69 1HG GLU 69 -1.543 -1.815 -24.681 530 H ALA 70 H ALA 70 -4.349 -3.835 -21.104 531 HA ALA 70 HA ALA 70 -2.947 -3.905 -18.460 532 1HB ALA 70 1HB ALA 70 -5.830 -4.625 -19.074 533 2HB ALA 70 2HB ALA 70 -5.300 -3.141 -18.284 534 3HB ALA 70 3HB ALA 70 -5.064 -4.697 -17.489 535 H GLU 71 H GLU 71 -3.528 -6.235 -17.428 536 HA GLU 71 HA GLU 71 -3.393 -8.348 -19.503 537 1HB GLU 71 2HB GLU 71 -1.058 -7.906 -19.199 538 2HB GLU 71 1HB GLU 71 -1.239 -7.805 -17.448 539 1HG GLU 71 2HG GLU 71 -1.709 -10.160 -17.280 540 2HG GLU 71 1HG GLU 71 -1.835 -10.316 -19.032 541 H GLU 72 H GLU 72 -4.430 -10.194 -18.822 542 HA GLU 72 HA GLU 72 -6.209 -10.313 -16.734 543 1HB GLU 72 2HB GLU 72 -4.817 -12.869 -16.940 544 2HB GLU 72 1HB GLU 72 -6.471 -12.458 -17.397 545 1HG GLU 72 2HG GLU 72 -5.651 -11.475 -19.506 546 2HG GLU 72 1HG GLU 72 -3.996 -11.884 -19.053 547 H THR 73 H THR 73 -5.832 -9.772 -14.632 548 HA THR 73 HA THR 73 -3.304 -10.764 -13.380 549 HB THR 73 HB THR 73 -3.586 -8.279 -13.453 550 HG1 THR 73 HG1 THR 73 -3.853 -9.260 -10.817 551 1HG2 THR 73 1HG2 THR 73 -5.572 -7.350 -12.960 552 2HG2 THR 73 2HG2 THR 73 -5.520 -8.053 -11.343 553 3HG2 THR 73 3HG2 THR 73 -6.233 -8.961 -12.678 554 H GLU 74 H GLU 74 -4.013 -10.441 -10.718 555 HA GLU 74 HA GLU 74 -6.563 -11.774 -10.191 556 1HB GLU 74 2HB GLU 74 -5.747 -13.860 -9.451 557 2HB GLU 74 1HB GLU 74 -4.839 -13.573 -10.936 558 1HG GLU 74 2HG GLU 74 -3.126 -12.400 -9.313 559 2HG GLU 74 1HG GLU 74 -3.912 -13.396 -8.087 560 H ASP 75 H ASP 75 -7.196 -11.365 -8.078 561 HA ASP 75 HA ASP 75 -5.314 -9.746 -6.455 562 1HB ASP 75 2HB ASP 75 -7.759 -9.080 -6.950 563 2HB ASP 75 1HB ASP 75 -8.199 -10.326 -5.783 564 H GLU 76 H GLU 76 -6.298 -10.265 -3.902 565 HA GLU 76 HA GLU 76 -5.004 -12.833 -3.350 566 1HB GLU 76 2HB GLU 76 -6.378 -10.886 -1.470 567 2HB GLU 76 1HB GLU 76 -5.339 -12.230 -0.991 568 1HG GLU 76 2HG GLU 76 -3.432 -11.109 -1.524 569 2HG GLU 76 1HG GLU 76 -4.140 -10.409 -2.980 570 H ASP 77 H ASP 77 -7.743 -12.576 -4.735 571 HA ASP 77 HA ASP 77 -9.146 -14.500 -2.925 572 1HB ASP 77 2HB ASP 77 -10.306 -12.247 -4.582 573 2HB ASP 77 1HB ASP 77 -11.289 -13.566 -3.947 574 H GLY 78 H GLY 78 -7.918 -13.774 -6.046 575 1HA GLY 78 2HA GLY 78 -7.595 -15.394 -7.778 576 2HA GLY 78 1HA GLY 78 -8.793 -16.430 -6.998 577 H ASN 79 H ASN 79 -8.438 -13.477 -8.940 578 HA ASN 79 HA ASN 79 -10.948 -14.136 -10.329 579 1HB ASN 79 2HB ASN 79 -11.423 -12.670 -8.216 580 2HB ASN 79 1HB ASN 79 -10.722 -11.365 -9.175 581 1HD2 ASN 79 1HD2 ASN 79 -13.475 -11.286 -8.453 582 2HD2 ASN 79 2HD2 ASN 79 -14.414 -11.497 -9.851 583 H LYS 80 H LYS 80 -10.421 -13.873 -12.440 584 HA LYS 80 HA LYS 80 -8.088 -12.469 -13.324 585 1HB LYS 80 2HB LYS 80 -10.204 -12.720 -15.337 586 2HB LYS 80 1HB LYS 80 -8.584 -13.419 -15.320 587 1HG LYS 80 2HG LYS 80 -9.499 -15.047 -13.542 588 2HG LYS 80 1HG LYS 80 -11.098 -14.504 -14.050 589 1HD LYS 80 2HD LYS 80 -10.769 -16.336 -15.456 590 2HD LYS 80 1HD LYS 80 -10.190 -15.011 -16.467 591 1HE LYS 80 2HE LYS 80 -7.879 -15.462 -15.762 592 2HE LYS 80 1HE LYS 80 -8.441 -16.763 -14.715 593 1HZ LYS 80 1HZ LYS 80 -8.212 -18.086 -16.465 594 2HZ LYS 80 2HZ LYS 80 -7.968 -16.781 -17.524 595 3HZ LYS 80 3HZ LYS 80 -9.544 -17.302 -17.162 596 H LEU 81 H LEU 81 -7.930 -10.286 -12.998 597 HA LEU 81 HA LEU 81 -10.282 -8.614 -13.798 598 1HB LEU 81 2HB LEU 81 -8.134 -7.651 -11.921 599 2HB LEU 81 1HB LEU 81 -9.799 -7.091 -12.079 600 HG LEU 81 HG LEU 81 -10.046 -9.799 -11.433 601 1HD1 LEU 81 1HD1 LEU 81 -7.633 -9.802 -10.832 602 2HD1 LEU 81 2HD1 LEU 81 -8.662 -10.069 -9.424 603 3HD1 LEU 81 3HD1 LEU 81 -7.932 -8.487 -9.695 604 1HD2 LEU 81 1HD2 LEU 81 -10.824 -8.881 -9.232 605 2HD2 LEU 81 2HD2 LEU 81 -11.498 -8.019 -10.615 606 3HD2 LEU 81 3HD2 LEU 81 -10.168 -7.311 -9.699 607 H LEU 82 H LEU 82 -9.664 -6.467 -14.715 608 HA LEU 82 HA LEU 82 -7.212 -6.745 -16.379 609 1HB LEU 82 2HB LEU 82 -8.980 -4.465 -16.930 610 2HB LEU 82 1HB LEU 82 -8.363 -5.699 -18.030 611 HG LEU 82 HG LEU 82 -10.650 -6.083 -16.078 612 1HD1 LEU 82 1HD1 LEU 82 -10.554 -5.634 -19.070 613 2HD1 LEU 82 2HD1 LEU 82 -11.397 -4.663 -17.864 614 3HD1 LEU 82 3HD1 LEU 82 -11.967 -6.287 -18.242 615 1HD2 LEU 82 1HD2 LEU 82 -9.909 -8.242 -16.332 616 2HD2 LEU 82 2HD2 LEU 82 -9.075 -7.885 -17.845 617 3HD2 LEU 82 3HD2 LEU 82 -10.822 -8.127 -17.837 618 H CYS 83 H CYS 83 -5.474 -5.462 -15.985 619 HA CYS 83 HA CYS 83 -5.885 -3.067 -14.242 620 1HB CYS 83 2HB CYS 83 -3.748 -3.503 -13.191 621 2HB CYS 83 1HB CYS 83 -4.715 -4.975 -13.096 622 HG CYS 83 HG CYS 83 -2.974 -4.969 -15.585 623 H PHE 84 H PHE 84 -5.815 -1.467 -15.823 624 HA PHE 84 HA PHE 84 -3.675 -1.567 -17.861 625 1HB PHE 84 2HB PHE 84 -4.754 0.490 -18.745 626 2HB PHE 84 1HB PHE 84 -5.902 -0.839 -18.591 627 HD1 PHE 84 HD1 PHE 84 -7.308 -0.957 -16.427 628 HD2 PHE 84 HD2 PHE 84 -5.156 2.546 -17.673 629 HE1 PHE 84 HE1 PHE 84 -8.730 0.440 -14.954 630 HE2 PHE 84 HE2 PHE 84 -6.579 3.944 -16.198 631 HZ PHE 84 HZ PHE 84 -8.366 2.891 -14.841 632 H ASP 85 H ASP 85 -2.176 0.286 -18.083 633 HA ASP 85 HA ASP 85 -1.599 1.501 -15.414 634 1HB ASP 85 2HB ASP 85 0.287 0.232 -15.900 635 2HB ASP 85 1HB ASP 85 0.151 0.509 -17.637 636 H ALA 86 H ALA 86 -0.324 3.633 -15.650 637 HA ALA 86 HA ALA 86 -1.044 5.224 -18.028 638 1HB ALA 86 1HB ALA 86 -1.807 6.385 -15.372 639 2HB ALA 86 2HB ALA 86 -2.912 5.247 -16.143 640 3HB ALA 86 3HB ALA 86 -2.459 6.737 -16.972 641 H THR 87 H THR 87 0.951 6.035 -18.492 642 HA THR 87 HA THR 87 2.699 6.871 -16.228 643 HB THR 87 HB THR 87 4.231 7.109 -18.493 644 HG1 THR 87 HG1 THR 87 3.153 6.114 -19.991 645 1HG2 THR 87 1HG2 THR 87 5.155 4.902 -17.825 646 2HG2 THR 87 2HG2 THR 87 3.747 4.647 -16.793 647 3HG2 THR 87 3HG2 THR 87 4.877 5.954 -16.438 648 H MET 88 H MET 88 3.872 8.929 -16.457 649 HA MET 88 HA MET 88 2.954 10.868 -18.441 650 1HB MET 88 2HB MET 88 1.079 10.884 -16.801 651 2HB MET 88 1HB MET 88 2.226 11.295 -15.526 652 1HG MET 88 2HG MET 88 2.872 13.218 -17.285 653 2HG MET 88 1HG MET 88 1.188 12.978 -17.756 654 1HE MET 88 1HE MET 88 -0.714 13.616 -16.689 655 2HE MET 88 2HE MET 88 0.036 15.187 -16.962 656 3HE MET 88 3HE MET 88 -0.786 14.864 -15.437 657 H GLN 89 H GLN 89 4.837 11.891 -18.898 658 HA GLN 89 HA GLN 89 7.044 11.934 -17.000 659 1HB GLN 89 2HB GLN 89 6.903 13.610 -19.502 660 2HB GLN 89 1HB GLN 89 8.316 12.875 -18.747 661 1HG GLN 89 2HG GLN 89 6.673 10.699 -19.272 662 2HG GLN 89 1HG GLN 89 6.444 11.733 -20.683 663 1HE2 GLN 89 1HE2 GLN 89 7.982 9.145 -20.477 664 2HE2 GLN 89 2HE2 GLN 89 9.556 9.521 -20.991 665 H SER 90 H SER 90 7.318 13.445 -15.435 666 HA SER 90 HA SER 90 6.589 16.244 -15.922 667 1HB SER 90 2HB SER 90 4.465 15.816 -15.119 668 2HB SER 90 1HB SER 90 4.993 14.438 -14.158 669 HG SER 90 HG SER 90 4.731 15.934 -12.644 670 H ALA 91 H ALA 91 7.558 17.655 -14.349 671 HA ALA 91 HA ALA 91 10.067 16.906 -13.349 672 1HB ALA 91 1HB ALA 91 8.358 18.955 -11.941 673 2HB ALA 91 2HB ALA 91 9.009 19.262 -13.550 674 3HB ALA 91 3HB ALA 91 10.102 18.969 -12.197 675 H LEU 92 H LEU 92 10.737 16.700 -11.028 676 HA LEU 92 HA LEU 92 8.904 14.836 -9.637 677 1HB LEU 92 2HB LEU 92 11.280 14.201 -9.933 678 2HB LEU 92 1HB LEU 92 11.768 15.626 -9.016 679 HG LEU 92 HG LEU 92 10.068 14.595 -7.228 680 1HD1 LEU 92 1HD1 LEU 92 9.915 12.649 -9.130 681 2HD1 LEU 92 2HD1 LEU 92 9.640 12.363 -7.411 682 3HD1 LEU 92 3HD1 LEU 92 11.217 12.019 -8.121 683 1HD2 LEU 92 1HD2 LEU 92 12.327 15.027 -6.623 684 2HD2 LEU 92 2HD2 LEU 92 12.945 13.847 -7.777 685 3HD2 LEU 92 3HD2 LEU 92 12.107 13.303 -6.324 686 H ASP 93 H ASP 93 7.408 15.932 -8.417 687 HA ASP 93 HA ASP 93 8.423 17.667 -6.263 688 1HB ASP 93 2HB ASP 93 7.116 18.708 -8.656 689 2HB ASP 93 1HB ASP 93 6.237 19.133 -7.187 690 H ALA 94 H ALA 94 7.385 16.969 -4.464 691 HA ALA 94 HA ALA 94 5.332 15.088 -4.349 692 1HB ALA 94 1HB ALA 94 4.965 15.778 -2.057 693 2HB ALA 94 2HB ALA 94 5.661 17.366 -2.375 694 3HB ALA 94 3HB ALA 94 6.688 15.932 -2.398 695 H LYS 95 H LYS 95 4.773 18.574 -3.726 696 HA LYS 95 HA LYS 95 2.029 18.666 -3.758 697 1HB LYS 95 2HB LYS 95 3.440 20.671 -5.481 698 2HB LYS 95 1HB LYS 95 2.194 20.927 -4.257 699 1HG LYS 95 2HG LYS 95 4.035 20.028 -2.606 700 2HG LYS 95 1HG LYS 95 5.144 20.505 -3.893 701 1HD LYS 95 2HD LYS 95 4.185 22.783 -3.872 702 2HD LYS 95 1HD LYS 95 3.093 22.307 -2.572 703 1HE LYS 95 2HE LYS 95 5.576 21.510 -1.629 704 2HE LYS 95 1HE LYS 95 5.926 23.034 -2.446 705 1HZ LYS 95 1HZ LYS 95 4.052 22.527 -0.221 706 2HZ LYS 95 2HZ LYS 95 3.901 23.906 -1.202 707 3HZ LYS 95 3HZ LYS 95 5.319 23.650 -0.302 708 H LEU 96 H LEU 96 3.886 19.201 -6.782 709 HA LEU 96 HA LEU 96 1.846 19.046 -8.629 710 1HB LEU 96 2HB LEU 96 4.543 19.042 -8.843 711 2HB LEU 96 1HB LEU 96 4.213 17.368 -9.289 712 HG LEU 96 HG LEU 96 2.292 18.650 -10.732 713 1HD1 LEU 96 1HD1 LEU 96 4.724 20.458 -10.812 714 2HD1 LEU 96 2HD1 LEU 96 3.236 20.856 -9.953 715 3HD1 LEU 96 3HD1 LEU 96 3.217 20.662 -11.706 716 1HD2 LEU 96 1HD2 LEU 96 4.065 18.541 -12.622 717 2HD2 LEU 96 2HD2 LEU 96 3.674 17.042 -11.778 718 3HD2 LEU 96 3HD2 LEU 96 5.149 17.921 -11.377 719 H ILE 97 H ILE 97 3.650 16.188 -7.438 720 HA ILE 97 HA ILE 97 2.067 14.209 -8.670 721 HB ILE 97 HB ILE 97 3.524 14.195 -6.013 722 1HG1 ILE 97 2HG1 ILE 97 4.309 12.686 -8.489 723 2HG1 ILE 97 1HG1 ILE 97 4.653 14.414 -8.392 724 1HG2 ILE 97 1HG2 ILE 97 1.956 12.445 -5.773 725 2HG2 ILE 97 2HG2 ILE 97 3.388 11.639 -6.414 726 3HG2 ILE 97 3HG2 ILE 97 2.038 12.020 -7.484 727 1HD1 ILE 97 1HD1 ILE 97 6.257 14.137 -6.797 728 2HD1 ILE 97 2HD1 ILE 97 6.310 12.483 -7.407 729 3HD1 ILE 97 3HD1 ILE 97 5.356 12.865 -5.974 730 H ASP 98 H ASP 98 1.411 16.199 -5.867 731 HA ASP 98 HA ASP 98 -0.762 14.610 -4.823 732 1HB ASP 98 2HB ASP 98 0.624 16.770 -3.900 733 2HB ASP 98 1HB ASP 98 -0.872 17.543 -4.428 734 H GLU 99 H GLU 99 -0.778 17.661 -6.712 735 HA GLU 99 HA GLU 99 -3.567 17.740 -7.172 736 1HB GLU 99 2HB GLU 99 -1.394 18.649 -9.085 737 2HB GLU 99 1HB GLU 99 -3.060 19.226 -9.037 738 1HG GLU 99 2HG GLU 99 -2.288 19.630 -6.444 739 2HG GLU 99 1HG GLU 99 -0.776 19.928 -7.302 740 H GLN 100 H GLN 100 -1.024 15.936 -8.830 741 HA GLN 100 HA GLN 100 -2.665 15.089 -11.048 742 1HB GLN 100 2HB GLN 100 -0.185 13.838 -9.827 743 2HB GLN 100 1HB GLN 100 -0.904 13.352 -11.364 744 1HG GLN 100 2HG GLN 100 -0.712 15.947 -11.889 745 2HG GLN 100 1HG GLN 100 0.555 15.871 -10.665 746 1HE2 GLN 100 1HE2 GLN 100 1.495 16.470 -13.148 747 2HE2 GLN 100 2HE2 GLN 100 2.236 15.128 -13.878 748 H VAL 101 H VAL 101 -1.495 13.189 -8.236 749 HA VAL 101 HA VAL 101 -3.172 10.962 -8.597 750 HB VAL 101 HB VAL 101 -2.086 12.247 -6.083 751 1HG1 VAL 101 1HG1 VAL 101 -3.788 9.778 -6.435 752 2HG1 VAL 101 2HG1 VAL 101 -3.998 11.097 -5.284 753 3HG1 VAL 101 3HG1 VAL 101 -2.678 9.945 -5.074 754 1HG2 VAL 101 1HG2 VAL 101 -1.391 9.692 -7.569 755 2HG2 VAL 101 2HG2 VAL 101 -0.564 10.318 -6.142 756 3HG2 VAL 101 3HG2 VAL 101 -0.482 11.201 -7.666 757 H GLU 102 H GLU 102 -3.831 13.979 -6.826 758 HA GLU 102 HA GLU 102 -6.390 13.323 -5.829 759 1HB GLU 102 2HB GLU 102 -4.977 15.426 -5.387 760 2HB GLU 102 1HB GLU 102 -5.668 16.063 -6.880 761 1HG GLU 102 2HG GLU 102 -7.864 15.043 -5.486 762 2HG GLU 102 1HG GLU 102 -6.885 15.825 -4.245 763 H LYS 103 H LYS 103 -5.423 14.528 -9.028 764 HA LYS 103 HA LYS 103 -8.097 14.923 -10.011 765 1HB LYS 103 2HB LYS 103 -5.374 14.696 -11.213 766 2HB LYS 103 1HB LYS 103 -6.754 14.439 -12.282 767 1HG LYS 103 2HG LYS 103 -7.655 16.603 -11.787 768 2HG LYS 103 1HG LYS 103 -6.530 16.836 -10.449 769 1HD LYS 103 2HD LYS 103 -4.674 16.568 -12.245 770 2HD LYS 103 1HD LYS 103 -5.963 16.878 -13.409 771 1HE LYS 103 2HE LYS 103 -4.778 18.706 -11.358 772 2HE LYS 103 1HE LYS 103 -5.254 19.048 -13.022 773 1HZ LYS 103 1HZ LYS 103 -6.884 18.980 -10.595 774 2HZ LYS 103 2HZ LYS 103 -7.611 18.475 -12.047 775 3HZ LYS 103 3HZ LYS 103 -6.956 20.038 -11.919 776 H LEU 104 H LEU 104 -5.851 12.158 -10.152 777 HA LEU 104 HA LEU 104 -7.609 10.485 -11.712 778 1HB LEU 104 2HB LEU 104 -5.486 9.574 -9.749 779 2HB LEU 104 1HB LEU 104 -6.111 8.680 -11.135 780 HG LEU 104 HG LEU 104 -4.361 11.142 -11.133 781 1HD1 LEU 104 1HD1 LEU 104 -4.157 8.480 -12.577 782 2HD1 LEU 104 2HD1 LEU 104 -3.331 8.860 -11.065 783 3HD1 LEU 104 3HD1 LEU 104 -2.932 9.750 -12.536 784 1HD2 LEU 104 1HD2 LEU 104 -6.010 11.701 -12.754 785 2HD2 LEU 104 2HD2 LEU 104 -6.137 10.033 -13.316 786 3HD2 LEU 104 3HD2 LEU 104 -4.696 10.983 -13.685 787 H VAL 105 H VAL 105 -7.250 11.130 -8.273 788 HA VAL 105 HA VAL 105 -8.855 8.927 -7.343 789 HB VAL 105 HB VAL 105 -8.197 11.613 -6.102 790 1HG1 VAL 105 1HG1 VAL 105 -10.044 11.032 -4.837 791 2HG1 VAL 105 2HG1 VAL 105 -8.811 10.100 -3.988 792 3HG1 VAL 105 3HG1 VAL 105 -9.858 9.309 -5.166 793 1HG2 VAL 105 1HG2 VAL 105 -6.441 9.710 -6.626 794 2HG2 VAL 105 2HG2 VAL 105 -7.160 8.940 -5.211 795 3HG2 VAL 105 3HG2 VAL 105 -6.413 10.531 -5.065 796 H ASN 106 H ASN 106 -9.613 12.281 -8.248 797 HA ASN 106 HA ASN 106 -12.371 12.160 -7.426 798 1HB ASN 106 2HB ASN 106 -11.448 13.895 -9.697 799 2HB ASN 106 1HB ASN 106 -12.592 14.267 -8.406 800 1HD2 ASN 106 1HD2 ASN 106 -10.518 12.949 -6.470 801 2HD2 ASN 106 2HD2 ASN 106 -9.391 14.191 -6.212 802 H LEU 107 H LEU 107 -10.862 11.882 -10.668 803 HA LEU 107 HA LEU 107 -13.252 11.260 -12.071 804 1HB LEU 107 2HB LEU 107 -11.124 11.832 -13.193 805 2HB LEU 107 1HB LEU 107 -10.429 10.306 -12.646 806 HG LEU 107 HG LEU 107 -12.785 9.497 -13.841 807 1HD1 LEU 107 1HD1 LEU 107 -13.074 11.831 -14.702 808 2HD1 LEU 107 2HD1 LEU 107 -12.908 10.638 -15.989 809 3HD1 LEU 107 3HD1 LEU 107 -11.541 11.665 -15.558 810 1HD2 LEU 107 1HD2 LEU 107 -10.022 9.785 -15.067 811 2HD2 LEU 107 2HD2 LEU 107 -11.290 8.716 -15.666 812 3HD2 LEU 107 3HD2 LEU 107 -10.577 8.435 -14.077 813 H ALA 108 H ALA 108 -10.802 9.042 -10.695 814 HA ALA 108 HA ALA 108 -11.922 6.590 -11.360 815 1HB ALA 108 1HB ALA 108 -11.151 6.031 -8.837 816 2HB ALA 108 2HB ALA 108 -10.349 7.589 -9.039 817 3HB ALA 108 3HB ALA 108 -9.998 6.265 -10.151 818 H GLU 109 H GLU 109 -12.696 8.402 -8.360 819 HA GLU 109 HA GLU 109 -14.889 6.680 -7.660 820 1HB GLU 109 2HB GLU 109 -14.427 9.566 -6.843 821 2HB GLU 109 1HB GLU 109 -15.461 8.399 -6.019 822 1HG GLU 109 2HG GLU 109 -12.448 8.324 -6.288 823 2HG GLU 109 1HG GLU 109 -13.397 8.432 -4.804 824 H LYS 110 H LYS 110 -14.581 9.192 -9.983 825 HA LYS 110 HA LYS 110 -17.382 9.986 -10.000 826 1HB LYS 110 2HB LYS 110 -15.294 11.268 -10.921 827 2HB LYS 110 1HB LYS 110 -15.545 10.286 -12.365 828 1HG LYS 110 2HG LYS 110 -17.979 11.058 -12.304 829 2HG LYS 110 1HG LYS 110 -17.473 12.243 -11.100 830 1HD LYS 110 2HD LYS 110 -15.625 12.864 -12.834 831 2HD LYS 110 1HD LYS 110 -16.668 12.038 -13.992 832 1HE LYS 110 2HE LYS 110 -17.250 14.504 -12.363 833 2HE LYS 110 1HE LYS 110 -17.409 14.269 -14.103 834 1HZ LYS 110 1HZ LYS 110 -19.450 13.456 -13.865 835 2HZ LYS 110 2HZ LYS 110 -19.410 14.053 -12.274 836 3HZ LYS 110 3HZ LYS 110 -19.000 12.433 -12.590 837 H PHE 111 H PHE 111 -15.527 7.393 -11.400 838 HA PHE 111 HA PHE 111 -17.843 6.703 -13.155 839 1HB PHE 111 2HB PHE 111 -14.903 6.125 -13.287 840 2HB PHE 111 1HB PHE 111 -16.030 4.995 -14.038 841 HD1 PHE 111 HD1 PHE 111 -14.769 8.471 -14.057 842 HD2 PHE 111 HD2 PHE 111 -17.332 5.614 -15.984 843 HE1 PHE 111 HE1 PHE 111 -15.011 9.997 -15.998 844 HE2 PHE 111 HE2 PHE 111 -17.575 7.138 -17.925 845 HZ PHE 111 HZ PHE 111 -16.415 9.330 -17.931 846 H ASP 112 H ASP 112 -15.345 4.626 -11.671 847 HA ASP 112 HA ASP 112 -16.822 3.464 -9.610 848 1HB ASP 112 2HB ASP 112 -17.857 2.750 -12.237 849 2HB ASP 112 1HB ASP 112 -17.343 1.323 -11.337 850 H ILE 113 H ILE 113 -14.076 3.914 -10.510 851 HA ILE 113 HA ILE 113 -13.076 1.094 -10.399 852 HB ILE 113 HB ILE 113 -11.007 1.979 -11.509 853 1HG1 ILE 113 2HG1 ILE 113 -12.729 4.466 -11.772 854 2HG1 ILE 113 1HG1 ILE 113 -11.221 4.331 -10.867 855 1HG2 ILE 113 1HG2 ILE 113 -13.223 2.751 -13.338 856 2HG2 ILE 113 2HG2 ILE 113 -13.309 1.135 -12.638 857 3HG2 ILE 113 3HG2 ILE 113 -11.901 1.610 -13.589 858 1HD1 ILE 113 1HD1 ILE 113 -10.405 3.430 -13.295 859 2HD1 ILE 113 2HD1 ILE 113 -10.300 5.120 -12.803 860 3HD1 ILE 113 3HD1 ILE 113 -11.657 4.571 -13.788 861 H ILE 114 H ILE 114 -11.098 0.792 -9.127 862 HA ILE 114 HA ILE 114 -10.945 2.755 -6.884 863 HB ILE 114 HB ILE 114 -11.430 0.611 -6.007 864 1HG1 ILE 114 2HG1 ILE 114 -9.413 -0.035 -4.790 865 2HG1 ILE 114 1HG1 ILE 114 -8.398 0.801 -5.963 866 1HG2 ILE 114 1HG2 ILE 114 -9.691 -1.285 -6.794 867 2HG2 ILE 114 2HG2 ILE 114 -9.686 -0.286 -8.248 868 3HG2 ILE 114 3HG2 ILE 114 -11.199 -0.973 -7.655 869 1HD1 ILE 114 1HD1 ILE 114 -10.502 2.142 -4.238 870 2HD1 ILE 114 2HD1 ILE 114 -9.389 2.948 -5.342 871 3HD1 ILE 114 3HD1 ILE 114 -8.771 2.147 -3.898 872 H TYR 115 H TYR 115 -9.210 4.091 -6.906 873 HA TYR 115 HA TYR 115 -6.853 3.336 -8.551 874 1HB TYR 115 2HB TYR 115 -7.439 5.518 -9.120 875 2HB TYR 115 1HB TYR 115 -7.954 5.916 -7.482 876 HD1 TYR 115 HD1 TYR 115 -6.325 6.511 -5.751 877 HD2 TYR 115 HD2 TYR 115 -5.085 5.576 -9.755 878 HE1 TYR 115 HE1 TYR 115 -4.084 7.464 -5.279 879 HE2 TYR 115 HE2 TYR 115 -2.843 6.528 -9.284 880 HH TYR 115 HH TYR 115 -1.720 7.939 -7.809 881 H ASP 116 H ASP 116 -5.330 2.219 -7.421 882 HA ASP 116 HA ASP 116 -4.218 3.384 -4.980 883 1HB ASP 116 2HB ASP 116 -4.524 1.091 -3.780 884 2HB ASP 116 1HB ASP 116 -5.884 2.212 -3.805 885 H GLY 117 H GLY 117 -2.438 3.392 -6.595 886 1HA GLY 117 2HA GLY 117 -0.514 1.395 -6.162 887 2HA GLY 117 1HA GLY 117 -1.360 0.931 -7.639 888 H TRP 118 H TRP 118 0.172 3.817 -6.170 889 HA TRP 118 HA TRP 118 1.013 4.601 -8.926 890 1HB TRP 118 2HB TRP 118 0.665 6.794 -8.386 891 2HB TRP 118 1HB TRP 118 -0.413 6.105 -7.174 892 HD1 TRP 118 HD1 TRP 118 0.359 6.149 -4.657 893 HE1 TRP 118 HE1 TRP 118 2.240 7.413 -3.428 894 HE3 TRP 118 HE3 TRP 118 3.126 7.710 -8.653 895 HZ2 TRP 118 HZ2 TRP 118 4.608 8.893 -4.059 896 HZ3 TRP 118 HZ3 TRP 118 5.187 9.043 -8.312 897 HH2 TRP 118 HH2 TRP 118 5.931 9.637 -6.022 898 H GLY 119 H GLY 119 3.204 5.130 -9.282 899 1HA GLY 119 2HA GLY 119 5.129 5.182 -7.101 900 2HA GLY 119 1HA GLY 119 5.203 3.683 -8.029 901 H THR 120 H THR 120 7.452 5.130 -8.146 902 HA THR 120 HA THR 120 7.404 6.175 -10.925 903 HB THR 120 HB THR 120 7.322 8.246 -9.827 904 HG1 THR 120 HG1 THR 120 9.311 9.070 -10.177 905 1HG2 THR 120 1HG2 THR 120 9.261 7.192 -7.754 906 2HG2 THR 120 2HG2 THR 120 7.511 7.216 -7.542 907 3HG2 THR 120 3HG2 THR 120 8.399 8.730 -7.716 908 H TYR 121 H TYR 121 9.754 6.473 -11.704 909 HA TYR 121 HA TYR 121 11.524 4.444 -10.397 910 1HB TYR 121 2HB TYR 121 10.520 4.601 -13.168 911 2HB TYR 121 1HB TYR 121 12.260 4.349 -13.037 912 HD1 TYR 121 HD1 TYR 121 13.016 2.157 -12.870 913 HD2 TYR 121 HD2 TYR 121 9.095 3.136 -11.414 914 HE1 TYR 121 HE1 TYR 121 12.631 -0.226 -12.304 915 HE2 TYR 121 HE2 TYR 121 8.710 0.751 -10.849 916 HH TYR 121 HH TYR 121 10.565 -1.323 -10.282 917 H TYR 122 H TYR 122 13.603 5.148 -10.060 918 HA TYR 122 HA TYR 122 14.238 7.930 -10.668 919 1HB TYR 122 2HB TYR 122 15.123 7.183 -8.611 920 2HB TYR 122 1HB TYR 122 15.706 5.671 -9.311 921 HD1 TYR 122 HD1 TYR 122 16.054 9.266 -10.335 922 HD2 TYR 122 HD2 TYR 122 18.038 5.612 -9.254 923 HE1 TYR 122 HE1 TYR 122 18.250 10.322 -10.795 924 HE2 TYR 122 HE2 TYR 122 20.234 6.669 -9.713 925 HH TYR 122 HH TYR 122 20.446 10.017 -10.921 926 H GLU 123 H GLU 123 15.585 8.683 -12.287 927 HA GLU 123 HA GLU 123 16.095 6.951 -14.547 928 1HB GLU 123 2HB GLU 123 16.258 9.781 -13.941 929 2HB GLU 123 1HB GLU 123 17.699 9.255 -14.811 930 1HG GLU 123 2HG GLU 123 15.940 9.936 -16.393 931 2HG GLU 123 1HG GLU 123 16.267 8.209 -16.538 932 H GLY 124 H GLY 124 17.555 5.310 -14.142 933 1HA GLY 124 2HA GLY 124 20.211 5.387 -14.401 934 2HA GLY 124 1HA GLY 124 20.082 5.951 -12.734 935 H LEU 125 H LEU 125 20.994 4.131 -11.739 936 HA LEU 125 HA LEU 125 21.071 1.942 -10.898 937 1HB LEU 125 2HB LEU 125 18.332 2.814 -10.916 938 2HB LEU 125 1HB LEU 125 18.379 1.094 -11.292 939 HG LEU 125 HG LEU 125 19.960 2.257 -9.000 940 1HD1 LEU 125 1HD1 LEU 125 17.906 1.114 -7.724 941 2HD1 LEU 125 2HD1 LEU 125 17.053 1.593 -9.190 942 3HD1 LEU 125 3HD1 LEU 125 17.864 2.810 -8.205 943 1HD2 LEU 125 1HD2 LEU 125 18.807 -0.516 -9.318 944 2HD2 LEU 125 2HD2 LEU 125 20.140 0.003 -8.287 945 3HD2 LEU 125 3HD2 LEU 125 20.358 -0.083 -10.035 946 H GLU 126 H GLU 126 22.102 1.890 -13.327 947 HA GLU 126 HA GLU 126 20.663 -0.276 -14.804 948 1HB GLU 126 2HB GLU 126 22.222 2.082 -15.668 949 2HB GLU 126 1HB GLU 126 22.579 0.593 -16.546 950 1HG GLU 126 2HG GLU 126 20.411 0.399 -17.372 951 2HG GLU 126 1HG GLU 126 19.717 1.350 -16.058 952 H HIS 127 H HIS 127 22.536 -0.485 -12.445 953 HA HIS 127 HA HIS 127 24.823 -1.910 -13.706 954 1HB HIS 127 2HB HIS 127 24.527 -0.340 -11.341 955 2HB HIS 127 1HB HIS 127 24.914 -1.985 -10.837 956 HD2 HIS 127 HD2 HIS 127 26.420 -0.197 -14.054 957 HE1 HIS 127 HE1 HIS 127 29.580 -1.232 -11.450 958 HE2 HIS 127 HE2 HIS 127 29.005 -0.264 -13.723 959 H HIS 128 H HIS 128 23.362 -3.663 -14.422 960 HA HIS 128 HA HIS 128 22.148 -5.320 -12.305 961 1HB HIS 128 2HB HIS 128 21.726 -6.798 -14.469 962 2HB HIS 128 1HB HIS 128 20.761 -5.352 -14.167 963 HD2 HIS 128 HD2 HIS 128 23.196 -6.704 -16.830 964 HE1 HIS 128 HE1 HIS 128 22.671 -2.596 -17.659 965 HE2 HIS 128 HE2 HIS 128 23.605 -4.782 -18.544 966 H HIS 129 H HIS 129 24.694 -5.382 -11.642 967 HA HIS 129 HA HIS 129 25.486 -8.124 -12.036 968 1HB HIS 129 2HB HIS 129 26.716 -6.020 -13.751 969 2HB HIS 129 1HB HIS 129 27.800 -7.226 -13.058 970 HD2 HIS 129 HD2 HIS 129 26.517 -10.011 -13.509 971 HE1 HIS 129 HE1 HIS 129 25.189 -8.762 -17.319 972 HE2 HIS 129 HE2 HIS 129 25.604 -10.773 -15.831 973 H HIS 130 H HIS 130 25.784 -8.234 -9.821 974 HA HIS 130 HA HIS 130 28.079 -6.664 -8.746 975 1HB HIS 130 2HB HIS 130 26.857 -6.344 -6.623 976 2HB HIS 130 1HB HIS 130 25.992 -5.590 -7.964 977 HD2 HIS 130 HD2 HIS 130 24.417 -6.882 -5.218 978 HE1 HIS 130 HE1 HIS 130 22.911 -9.627 -8.053 979 HE2 HIS 130 HE2 HIS 130 22.589 -8.673 -5.725 980 H HIS 131 H HIS 131 26.819 -9.617 -9.424 981 HA HIS 131 HA HIS 131 27.644 -11.024 -6.984 982 1HB HIS 131 2HB HIS 131 25.781 -11.945 -8.222 983 2HB HIS 131 1HB HIS 131 26.727 -11.984 -9.710 984 HD2 HIS 131 HD2 HIS 131 27.585 -14.563 -10.136 985 HE1 HIS 131 HE1 HIS 131 28.152 -15.705 -6.110 986 HE2 HIS 131 HE2 HIS 131 28.323 -16.474 -8.521 987 H HIS 132 HN HIS 132 29.814 -9.604 -7.774 988 HA HIS 132 HA HIS 132 32.026 -9.751 -8.587 989 1HB HIS 132 2HB HIS 132 31.466 -12.521 -7.500 990 2HB HIS 132 1HB HIS 132 33.070 -11.997 -8.010 991 HD2 HIS 132 HD2 HIS 132 31.454 -8.992 -6.415 992 HE1 HIS 132 HE1 HIS 132 33.415 -10.971 -3.242 993 HE2 HIS 132 HE2 HIS 132 32.271 -8.819 -3.945 Start of MODEL 7 1 1H MET 1 1H MET 1 -31.394 -2.118 -1.114 2 2H MET 1 2H MET 1 -30.154 -3.258 -0.892 3 3H MET 1 3H MET 1 -31.019 -3.213 -2.353 4 HA MET 1 HA MET 1 -28.984 -2.182 -2.830 5 1HB MET 1 2HB MET 1 -31.297 -0.933 -3.283 6 2HB MET 1 1HB MET 1 -30.600 0.247 -2.172 7 1HG MET 1 2HG MET 1 -29.575 1.073 -4.025 8 2HG MET 1 1HG MET 1 -28.468 -0.284 -3.812 9 1HE MET 1 1HE MET 1 -28.506 -1.659 -7.142 10 2HE MET 1 2HE MET 1 -28.056 -2.037 -5.480 11 3HE MET 1 3HE MET 1 -27.726 -0.434 -6.133 12 H SER 2 H SER 2 -28.618 -2.846 -0.114 13 HA SER 2 HA SER 2 -27.015 -0.515 0.745 14 1HB SER 2 2HB SER 2 -29.351 -1.641 2.256 15 2HB SER 2 1HB SER 2 -27.967 -1.022 3.152 16 HG SER 2 HG SER 2 -29.870 0.300 1.651 17 H HIS 3 H HIS 3 -25.903 -2.741 -0.278 18 HA HIS 3 HA HIS 3 -25.390 -4.779 1.738 19 1HB HIS 3 2HB HIS 3 -23.764 -4.227 -0.756 20 2HB HIS 3 1HB HIS 3 -23.901 -5.749 0.124 21 HD2 HIS 3 HD2 HIS 3 -26.976 -6.410 0.217 22 HE1 HIS 3 HE1 HIS 3 -27.243 -5.231 -3.830 23 HE2 HIS 3 HE2 HIS 3 -28.404 -6.497 -1.963 24 H GLN 4 H GLN 4 -22.741 -5.209 1.843 25 HA GLN 4 HA GLN 4 -21.555 -2.630 2.789 26 1HB GLN 4 2HB GLN 4 -20.433 -4.027 4.587 27 2HB GLN 4 1HB GLN 4 -22.179 -3.853 4.770 28 1HG GLN 4 2HG GLN 4 -22.573 -6.058 4.361 29 2HG GLN 4 1HG GLN 4 -21.325 -6.151 3.117 30 1HE2 GLN 4 1HE2 GLN 4 -19.079 -5.256 4.652 31 2HE2 GLN 4 2HE2 GLN 4 -18.758 -6.410 5.856 32 H ASP 5 H ASP 5 -19.256 -2.473 2.512 33 HA ASP 5 HA ASP 5 -17.726 -4.681 1.404 34 1HB ASP 5 2HB ASP 5 -17.300 -3.070 -0.722 35 2HB ASP 5 1HB ASP 5 -18.521 -4.343 -0.721 36 H ASP 6 H ASP 6 -16.788 -3.623 3.493 37 HA ASP 6 HA ASP 6 -15.320 -2.050 4.520 38 1HB ASP 6 2HB ASP 6 -13.984 -3.151 2.052 39 2HB ASP 6 1HB ASP 6 -13.128 -2.040 3.121 40 H TYR 7 H TYR 7 -17.142 -0.407 3.566 41 HA TYR 7 HA TYR 7 -16.844 1.293 1.453 42 1HB TYR 7 2HB TYR 7 -17.975 1.508 4.067 43 2HB TYR 7 1HB TYR 7 -17.099 3.003 3.741 44 HD1 TYR 7 HD1 TYR 7 -17.777 4.503 1.962 45 HD2 TYR 7 HD2 TYR 7 -19.823 0.781 2.604 46 HE1 TYR 7 HE1 TYR 7 -19.605 5.249 0.462 47 HE2 TYR 7 HE2 TYR 7 -21.652 1.527 1.104 48 HH TYR 7 HH TYR 7 -21.376 4.096 -0.992 49 H LEU 8 H LEU 8 -15.148 2.398 0.610 50 HA LEU 8 HA LEU 8 -12.871 3.056 2.427 51 1HB LEU 8 2HB LEU 8 -11.508 3.161 0.366 52 2HB LEU 8 1HB LEU 8 -12.300 1.594 0.526 53 HG LEU 8 HG LEU 8 -14.205 2.962 -0.850 54 1HD1 LEU 8 1HD1 LEU 8 -12.453 4.884 -0.927 55 2HD1 LEU 8 2HD1 LEU 8 -13.270 4.444 -2.427 56 3HD1 LEU 8 3HD1 LEU 8 -11.629 3.880 -2.120 57 1HD2 LEU 8 1HD2 LEU 8 -11.918 1.198 -1.619 58 2HD2 LEU 8 2HD2 LEU 8 -12.845 1.946 -2.920 59 3HD2 LEU 8 3HD2 LEU 8 -13.651 0.904 -1.747 60 H SER 9 H SER 9 -12.192 5.186 2.604 61 HA SER 9 HA SER 9 -13.878 7.201 1.181 62 1HB SER 9 2HB SER 9 -13.185 6.908 3.920 63 2HB SER 9 1HB SER 9 -12.343 8.339 3.333 64 HG SER 9 HG SER 9 -15.024 7.877 3.708 65 H VAL 10 H VAL 10 -12.824 8.136 -0.496 66 HA VAL 10 HA VAL 10 -10.114 7.882 -1.143 67 HB VAL 10 HB VAL 10 -10.422 9.919 -2.541 68 1HG1 VAL 10 1HG1 VAL 10 -12.478 7.733 -2.447 69 2HG1 VAL 10 2HG1 VAL 10 -11.220 8.028 -3.646 70 3HG1 VAL 10 3HG1 VAL 10 -12.664 9.040 -3.616 71 1HG2 VAL 10 1HG2 VAL 10 -12.631 11.056 -2.460 72 2HG2 VAL 10 2HG2 VAL 10 -11.751 11.231 -0.941 73 3HG2 VAL 10 3HG2 VAL 10 -13.073 10.069 -1.067 74 H GLU 11 H GLU 11 -11.627 10.042 1.158 75 HA GLU 11 HA GLU 11 -9.627 12.014 1.435 76 1HB GLU 11 2HB GLU 11 -11.647 12.333 2.649 77 2HB GLU 11 1HB GLU 11 -11.514 10.759 3.433 78 1HG GLU 11 2HG GLU 11 -9.675 11.479 4.781 79 2HG GLU 11 1HG GLU 11 -9.468 12.949 3.830 80 H GLU 12 H GLU 12 -9.972 9.110 3.512 81 HA GLU 12 HA GLU 12 -7.472 9.326 4.795 82 1HB GLU 12 2HB GLU 12 -8.393 6.585 4.100 83 2HB GLU 12 1HB GLU 12 -7.933 7.255 5.666 84 1HG GLU 12 2HG GLU 12 -10.122 8.696 5.349 85 2HG GLU 12 1HG GLU 12 -10.572 7.394 4.248 86 H LEU 13 H LEU 13 -8.226 7.233 1.979 87 HA LEU 13 HA LEU 13 -5.700 6.274 1.399 88 1HB LEU 13 2HB LEU 13 -7.440 7.386 -0.802 89 2HB LEU 13 1HB LEU 13 -6.417 5.948 -0.832 90 HG LEU 13 HG LEU 13 -9.031 6.335 0.638 91 1HD1 LEU 13 1HD1 LEU 13 -9.890 4.828 -0.857 92 2HD1 LEU 13 2HD1 LEU 13 -8.380 3.923 -0.970 93 3HD1 LEU 13 3HD1 LEU 13 -8.577 5.427 -1.870 94 1HD2 LEU 13 1HD2 LEU 13 -8.590 4.030 1.551 95 2HD2 LEU 13 2HD2 LEU 13 -7.514 5.264 2.203 96 3HD2 LEU 13 3HD2 LEU 13 -6.936 4.163 0.954 97 H ILE 14 H ILE 14 -6.978 9.477 0.466 98 HA ILE 14 HA ILE 14 -4.661 10.347 -0.948 99 HB ILE 14 HB ILE 14 -6.878 11.789 0.496 100 1HG1 ILE 14 2HG1 ILE 14 -6.100 12.123 -2.380 101 2HG1 ILE 14 1HG1 ILE 14 -6.907 10.632 -1.893 102 1HG2 ILE 14 1HG2 ILE 14 -5.266 13.412 0.843 103 2HG2 ILE 14 2HG2 ILE 14 -5.740 13.818 -0.806 104 3HG2 ILE 14 3HG2 ILE 14 -4.280 12.872 -0.516 105 1HD1 ILE 14 1HD1 ILE 14 -8.661 12.106 -0.766 106 2HD1 ILE 14 2HD1 ILE 14 -8.650 12.141 -2.530 107 3HD1 ILE 14 3HD1 ILE 14 -7.929 13.467 -1.617 108 H GLU 15 H GLU 15 -5.502 10.498 2.501 109 HA GLU 15 HA GLU 15 -3.275 12.094 3.319 110 1HB GLU 15 2HB GLU 15 -5.310 10.417 4.607 111 2HB GLU 15 1HB GLU 15 -3.764 10.401 5.456 112 1HG GLU 15 2HG GLU 15 -4.988 12.244 6.361 113 2HG GLU 15 1HG GLU 15 -3.786 12.946 5.277 114 H ILE 16 H ILE 16 -3.690 8.535 3.504 115 HA ILE 16 HA ILE 16 -1.055 7.915 4.293 116 HB ILE 16 HB ILE 16 -2.671 6.248 2.353 117 1HG1 ILE 16 2HG1 ILE 16 -4.246 6.838 4.044 118 2HG1 ILE 16 1HG1 ILE 16 -3.632 5.255 4.518 119 1HG2 ILE 16 1HG2 ILE 16 -1.548 4.636 4.307 120 2HG2 ILE 16 2HG2 ILE 16 -0.312 5.867 4.054 121 3HG2 ILE 16 3HG2 ILE 16 -0.884 4.901 2.695 122 1HD1 ILE 16 1HD1 ILE 16 -3.535 6.528 6.510 123 2HD1 ILE 16 2HD1 ILE 16 -2.935 7.956 5.667 124 3HD1 ILE 16 3HD1 ILE 16 -1.880 6.561 5.898 125 H GLN 17 H GLN 17 -2.322 8.802 1.144 126 HA GLN 17 HA GLN 17 0.033 7.966 -0.335 127 1HB GLN 17 2HB GLN 17 -2.029 8.173 -1.552 128 2HB GLN 17 1HB GLN 17 -2.262 9.829 -0.993 129 1HG GLN 17 2HG GLN 17 -0.967 10.657 -2.642 130 2HG GLN 17 1HG GLN 17 0.320 9.502 -2.296 131 1HE2 GLN 17 1HE2 GLN 17 -2.901 8.295 -3.041 132 2HE2 GLN 17 2HE2 GLN 17 -2.527 7.710 -4.590 133 H LYS 18 H LYS 18 -1.068 10.985 1.162 134 HA LYS 18 HA LYS 18 0.992 12.663 0.091 135 1HB LYS 18 2HB LYS 18 -1.047 12.829 2.192 136 2HB LYS 18 1HB LYS 18 0.428 13.710 2.596 137 1HG LYS 18 2HG LYS 18 0.305 14.744 0.271 138 2HG LYS 18 1HG LYS 18 -1.315 14.055 0.146 139 1HD LYS 18 2HD LYS 18 -0.698 15.600 2.618 140 2HD LYS 18 1HD LYS 18 -0.884 16.521 1.125 141 1HE LYS 18 2HE LYS 18 -3.067 16.381 2.108 142 2HE LYS 18 1HE LYS 18 -3.057 15.255 0.750 143 1HZ LYS 18 1HZ LYS 18 -3.423 13.567 2.115 144 2HZ LYS 18 2HZ LYS 18 -3.651 14.681 3.379 145 3HZ LYS 18 3HZ LYS 18 -2.119 13.996 3.111 146 H GLU 19 H GLU 19 0.838 10.593 2.966 147 HA GLU 19 HA GLU 19 3.406 11.447 4.005 148 1HB GLU 19 2HB GLU 19 1.983 8.822 4.530 149 2HB GLU 19 1HB GLU 19 3.180 9.611 5.558 150 1HG GLU 19 2HG GLU 19 1.477 11.616 5.515 151 2HG GLU 19 1HG GLU 19 0.315 10.366 5.070 152 H GLU 20 H GLU 20 2.313 8.655 2.068 153 HA GLU 20 HA GLU 20 4.843 7.356 1.887 154 1HB GLU 20 2HB GLU 20 2.408 6.659 1.061 155 2HB GLU 20 1HB GLU 20 2.991 7.329 -0.463 156 1HG GLU 20 2HG GLU 20 3.779 5.184 -0.721 157 2HG GLU 20 1HG GLU 20 5.140 5.852 0.181 158 H THR 21 H THR 21 3.284 9.575 -0.459 159 HA THR 21 HA THR 21 5.355 9.806 -2.309 160 HB THR 21 HB THR 21 3.951 12.301 -1.397 161 HG1 THR 21 HG1 THR 21 2.714 10.033 -1.730 162 1HG2 THR 21 1HG2 THR 21 4.802 11.069 -4.018 163 2HG2 THR 21 2HG2 THR 21 5.316 12.602 -3.312 164 3HG2 THR 21 3HG2 THR 21 3.681 12.430 -3.951 165 H ARG 22 H ARG 22 4.916 11.952 0.530 166 HA ARG 22 HA ARG 22 7.306 13.390 0.338 167 1HB ARG 22 2HB ARG 22 5.292 13.099 2.248 168 2HB ARG 22 1HB ARG 22 6.757 12.603 3.095 169 1HG ARG 22 2HG ARG 22 7.861 14.684 2.544 170 2HG ARG 22 1HG ARG 22 6.524 15.166 1.497 171 1HD ARG 22 2HD ARG 22 6.528 16.205 3.829 172 2HD ARG 22 1HD ARG 22 5.033 15.404 3.349 173 HE ARG 22 HE ARG 22 6.476 13.416 4.641 174 1HH1 ARG 22 1HH2 ARG 22 5.444 16.629 5.346 175 2HH1 ARG 22 2HH2 ARG 22 5.299 16.350 7.050 176 1HH2 ARG 22 2HH1 ARG 22 6.291 13.033 6.860 177 2HH2 ARG 22 1HH1 ARG 22 5.779 14.314 7.907 178 H ASP 23 H ASP 23 6.787 10.142 1.674 179 HA ASP 23 HA ASP 23 9.442 9.802 2.709 180 1HB ASP 23 2HB ASP 23 7.322 8.365 3.124 181 2HB ASP 23 1HB ASP 23 7.763 7.543 1.627 182 H ILE 24 H ILE 24 7.974 9.038 -0.442 183 HA ILE 24 HA ILE 24 10.384 7.839 -1.511 184 HB ILE 24 HB ILE 24 7.937 8.992 -2.883 185 1HG1 ILE 24 2HG1 ILE 24 8.716 6.095 -2.486 186 2HG1 ILE 24 1HG1 ILE 24 7.725 6.967 -1.317 187 1HG2 ILE 24 1HG2 ILE 24 8.884 7.311 -4.701 188 2HG2 ILE 24 2HG2 ILE 24 10.419 7.654 -3.903 189 3HG2 ILE 24 3HG2 ILE 24 9.483 8.968 -4.617 190 1HD1 ILE 24 1HD1 ILE 24 5.896 6.718 -2.602 191 2HD1 ILE 24 2HD1 ILE 24 6.846 5.690 -3.675 192 3HD1 ILE 24 3HD1 ILE 24 6.726 7.421 -3.990 193 H ILE 25 H ILE 25 8.770 10.913 -2.424 194 HA ILE 25 HA ILE 25 10.709 12.081 -3.970 195 HB ILE 25 HB ILE 25 9.320 13.542 -1.705 196 1HG1 ILE 25 2HG1 ILE 25 7.658 12.295 -2.959 197 2HG1 ILE 25 1HG1 ILE 25 7.565 13.984 -3.457 198 1HG2 ILE 25 1HG2 ILE 25 10.860 14.326 -4.121 199 2HG2 ILE 25 2HG2 ILE 25 10.658 15.177 -2.589 200 3HG2 ILE 25 3HG2 ILE 25 9.387 15.244 -3.810 201 1HD1 ILE 25 1HD1 ILE 25 8.648 11.626 -4.959 202 2HD1 ILE 25 2HD1 ILE 25 9.309 13.228 -5.286 203 3HD1 ILE 25 3HD1 ILE 25 7.589 12.918 -5.524 204 H GLN 26 H GLN 26 10.797 11.768 -0.438 205 HA GLN 26 HA GLN 26 13.218 13.292 -0.081 206 1HB GLN 26 2HB GLN 26 11.843 11.186 1.603 207 2HB GLN 26 1HB GLN 26 13.318 12.004 2.120 208 1HG GLN 26 2HG GLN 26 10.909 13.574 1.213 209 2HG GLN 26 1HG GLN 26 11.054 13.013 2.879 210 1HE2 GLN 26 1HE2 GLN 26 12.924 13.832 4.151 211 2HE2 GLN 26 2HE2 GLN 26 13.696 15.272 3.695 212 H ALA 27 H ALA 27 12.644 9.755 -0.079 213 HA ALA 27 HA ALA 27 15.322 8.922 0.067 214 1HB ALA 27 1HB ALA 27 14.088 7.144 -1.726 215 2HB ALA 27 2HB ALA 27 12.783 7.749 -0.707 216 3HB ALA 27 3HB ALA 27 14.188 6.974 0.026 217 H LEU 28 H LEU 28 13.411 9.633 -2.876 218 HA LEU 28 HA LEU 28 15.434 9.104 -4.778 219 1HB LEU 28 2HB LEU 28 13.051 10.927 -4.713 220 2HB LEU 28 1HB LEU 28 14.198 11.072 -6.044 221 HG LEU 28 HG LEU 28 12.983 8.428 -5.213 222 1HD1 LEU 28 1HD1 LEU 28 11.283 8.703 -6.829 223 2HD1 LEU 28 2HD1 LEU 28 12.097 10.074 -7.582 224 3HD1 LEU 28 3HD1 LEU 28 11.329 10.262 -6.004 225 1HD2 LEU 28 1HD2 LEU 28 13.596 8.186 -7.816 226 2HD2 LEU 28 2HD2 LEU 28 14.783 7.875 -6.549 227 3HD2 LEU 28 3HD2 LEU 28 14.773 9.427 -7.385 228 H LEU 29 H LEU 29 14.612 12.255 -3.283 229 HA LEU 29 HA LEU 29 16.773 13.711 -4.399 230 1HB LEU 29 2HB LEU 29 14.950 14.038 -2.075 231 2HB LEU 29 1HB LEU 29 16.450 14.966 -2.025 232 HG LEU 29 HG LEU 29 15.938 15.781 -4.352 233 1HD1 LEU 29 1HD1 LEU 29 13.955 13.765 -4.180 234 2HD1 LEU 29 2HD1 LEU 29 14.228 14.888 -5.511 235 3HD1 LEU 29 3HD1 LEU 29 13.095 15.304 -4.225 236 1HD2 LEU 29 1HD2 LEU 29 13.975 17.251 -3.558 237 2HD2 LEU 29 2HD2 LEU 29 15.448 17.302 -2.590 238 3HD2 LEU 29 3HD2 LEU 29 14.067 16.349 -2.045 239 H GLU 30 H GLU 30 16.746 11.287 -1.946 240 HA GLU 30 HA GLU 30 19.268 12.134 -0.714 241 1HB GLU 30 2HB GLU 30 17.310 10.718 0.328 242 2HB GLU 30 1HB GLU 30 18.131 9.365 -0.450 243 1HG GLU 30 2HG GLU 30 20.120 9.706 0.796 244 2HG GLU 30 1HG GLU 30 19.626 11.325 1.294 245 H ASP 31 H ASP 31 18.228 9.906 -3.239 246 HA ASP 31 HA ASP 31 21.086 9.520 -3.955 247 1HB ASP 31 2HB ASP 31 19.117 7.371 -3.233 248 2HB ASP 31 1HB ASP 31 20.351 7.041 -4.451 249 H GLY 32 H GLY 32 18.790 11.039 -5.109 250 1HA GLY 32 2HA GLY 32 19.193 10.325 -7.866 251 2HA GLY 32 1HA GLY 32 17.607 9.773 -7.325 252 H SER 33 H SER 33 19.304 12.701 -6.262 253 HA SER 33 HA SER 33 17.013 14.365 -6.471 254 1HB SER 33 2HB SER 33 19.947 15.121 -6.613 255 2HB SER 33 1HB SER 33 18.626 16.261 -6.371 256 HG SER 33 HG SER 33 19.150 14.011 -4.717 257 H ASP 34 H ASP 34 19.155 16.176 -8.175 258 HA ASP 34 HA ASP 34 19.109 16.996 -10.375 259 1HB ASP 34 2HB ASP 34 18.901 14.010 -10.722 260 2HB ASP 34 1HB ASP 34 18.860 15.082 -12.123 261 HA PRO 35 HA PRO 35 14.386 16.381 -10.362 262 1HB PRO 35 2HB PRO 35 13.703 18.760 -9.183 263 2HB PRO 35 1HB PRO 35 13.953 17.254 -8.277 264 1HG PRO 35 2HG PRO 35 15.781 19.572 -8.639 265 2HG PRO 35 1HG PRO 35 15.496 18.569 -7.207 266 1HD PRO 35 2HD PRO 35 17.685 18.262 -8.829 267 2HD PRO 35 1HD PRO 35 16.973 16.929 -7.893 268 H ASP 36 H ASP 36 16.724 18.433 -11.619 269 HA ASP 36 HA ASP 36 14.848 20.186 -13.075 270 1HB ASP 36 2HB ASP 36 17.812 19.987 -13.598 271 2HB ASP 36 1HB ASP 36 16.748 21.380 -13.798 272 H ALA 37 H ALA 37 16.401 17.150 -13.496 273 HA ALA 37 HA ALA 37 16.547 17.164 -16.385 274 1HB ALA 37 1HB ALA 37 16.800 14.716 -16.153 275 2HB ALA 37 2HB ALA 37 16.350 14.832 -14.452 276 3HB ALA 37 3HB ALA 37 17.848 15.570 -15.020 277 H LEU 38 H LEU 38 14.549 14.813 -14.652 278 HA LEU 38 HA LEU 38 11.980 15.730 -15.241 279 1HB LEU 38 2HB LEU 38 13.428 14.961 -17.634 280 2HB LEU 38 1HB LEU 38 12.014 13.931 -17.408 281 HG LEU 38 HG LEU 38 11.836 16.931 -17.132 282 1HD1 LEU 38 1HD1 LEU 38 10.748 16.412 -19.579 283 2HD1 LEU 38 2HD1 LEU 38 12.099 15.278 -19.573 284 3HD1 LEU 38 3HD1 LEU 38 12.392 17.002 -19.343 285 1HD2 LEU 38 1HD2 LEU 38 10.066 15.066 -16.411 286 2HD2 LEU 38 2HD2 LEU 38 9.665 15.129 -18.127 287 3HD2 LEU 38 3HD2 LEU 38 9.547 16.585 -17.140 288 H TYR 39 H TYR 39 10.388 14.114 -14.798 289 HA TYR 39 HA TYR 39 11.425 11.380 -14.224 290 1HB TYR 39 2HB TYR 39 10.172 13.310 -12.306 291 2HB TYR 39 1HB TYR 39 9.816 11.593 -12.126 292 HD1 TYR 39 HD1 TYR 39 11.401 10.107 -11.181 293 HD2 TYR 39 HD2 TYR 39 12.609 14.053 -12.370 294 HE1 TYR 39 HE1 TYR 39 13.598 9.764 -10.083 295 HE2 TYR 39 HE2 TYR 39 14.807 13.711 -11.273 296 HH TYR 39 HH TYR 39 15.985 12.383 -9.895 297 H GLU 40 H GLU 40 9.677 9.770 -14.109 298 HA GLU 40 HA GLU 40 7.198 10.702 -15.504 299 1HB GLU 40 2HB GLU 40 8.225 7.881 -15.703 300 2HB GLU 40 1HB GLU 40 7.185 8.764 -16.820 301 1HG GLU 40 2HG GLU 40 9.137 8.963 -18.005 302 2HG GLU 40 1HG GLU 40 9.369 10.341 -16.931 303 H ILE 41 H ILE 41 5.500 10.592 -14.122 304 HA ILE 41 HA ILE 41 5.604 8.799 -11.790 305 HB ILE 41 HB ILE 41 3.489 10.758 -12.735 306 1HG1 ILE 41 2HG1 ILE 41 4.342 12.088 -10.787 307 2HG1 ILE 41 1HG1 ILE 41 5.628 10.897 -10.588 308 1HG2 ILE 41 1HG2 ILE 41 2.180 9.525 -11.336 309 2HG2 ILE 41 2HG2 ILE 41 3.070 10.360 -10.063 310 3HG2 ILE 41 3HG2 ILE 41 3.565 8.746 -10.573 311 1HD1 ILE 41 1HD1 ILE 41 6.715 11.539 -12.529 312 2HD1 ILE 41 2HD1 ILE 41 6.015 13.085 -12.046 313 3HD1 ILE 41 3HD1 ILE 41 5.232 12.112 -13.293 314 H GLU 42 H GLU 42 4.441 6.902 -11.598 315 HA GLU 42 HA GLU 42 2.794 6.123 -13.969 316 1HB GLU 42 2HB GLU 42 3.945 4.135 -12.032 317 2HB GLU 42 1HB GLU 42 3.538 3.920 -13.735 318 1HG GLU 42 2HG GLU 42 5.397 5.577 -14.263 319 2HG GLU 42 1HG GLU 42 5.890 5.428 -12.576 320 H HIS 43 H HIS 43 0.657 5.834 -13.587 321 HA HIS 43 HA HIS 43 -0.209 5.412 -10.752 322 1HB HIS 43 2HB HIS 43 -1.543 6.915 -13.020 323 2HB HIS 43 1HB HIS 43 -2.380 6.483 -11.529 324 HD2 HIS 43 HD2 HIS 43 -0.713 9.531 -12.738 325 HE1 HIS 43 HE1 HIS 43 0.424 9.378 -8.674 326 HE2 HIS 43 HE2 HIS 43 0.309 10.852 -10.735 327 H HIS 44 H HIS 44 -1.328 3.540 -10.390 328 HA HIS 44 HA HIS 44 -2.190 1.991 -12.793 329 1HB HIS 44 2HB HIS 44 -1.738 0.900 -10.008 330 2HB HIS 44 1HB HIS 44 -1.852 -0.004 -11.520 331 HD2 HIS 44 HD2 HIS 44 0.456 0.379 -13.279 332 HE1 HIS 44 HE1 HIS 44 2.923 1.894 -10.204 333 HE2 HIS 44 HE2 HIS 44 2.890 1.004 -12.579 334 H LEU 45 H LEU 45 -4.325 1.476 -13.015 335 HA LEU 45 HA LEU 45 -6.120 1.824 -10.663 336 1HB LEU 45 2HB LEU 45 -6.445 3.064 -13.405 337 2HB LEU 45 1HB LEU 45 -7.785 2.895 -12.271 338 HG LEU 45 HG LEU 45 -6.047 4.030 -10.603 339 1HD1 LEU 45 1HD1 LEU 45 -4.374 5.284 -11.561 340 2HD1 LEU 45 2HD1 LEU 45 -5.278 5.541 -13.054 341 3HD1 LEU 45 3HD1 LEU 45 -4.458 4.005 -12.771 342 1HD2 LEU 45 1HD2 LEU 45 -7.064 6.200 -11.170 343 2HD2 LEU 45 2HD2 LEU 45 -8.271 4.917 -11.255 344 3HD2 LEU 45 3HD2 LEU 45 -7.568 5.565 -12.737 345 H PHE 46 H PHE 46 -7.845 0.351 -10.636 346 HA PHE 46 HA PHE 46 -7.892 -1.600 -12.904 347 1HB PHE 46 2HB PHE 46 -8.986 -2.769 -10.541 348 2HB PHE 46 1HB PHE 46 -7.518 -3.231 -11.401 349 HD1 PHE 46 HD1 PHE 46 -5.513 -1.419 -11.038 350 HD2 PHE 46 HD2 PHE 46 -8.720 -2.225 -8.298 351 HE1 PHE 46 HE1 PHE 46 -4.139 -0.537 -9.171 352 HE2 PHE 46 HE2 PHE 46 -7.347 -1.344 -6.431 353 HZ PHE 46 HZ PHE 46 -5.056 -0.501 -6.868 354 H ALA 47 H ALA 47 -10.005 -2.578 -13.331 355 HA ALA 47 HA ALA 47 -12.317 -1.062 -12.221 356 1HB ALA 47 1HB ALA 47 -12.329 -1.692 -15.141 357 2HB ALA 47 2HB ALA 47 -11.365 -0.317 -14.603 358 3HB ALA 47 3HB ALA 47 -13.098 -0.360 -14.278 359 H GLU 48 H GLU 48 -14.429 -2.190 -13.059 360 HA GLU 48 HA GLU 48 -13.978 -5.137 -12.851 361 1HB GLU 48 2HB GLU 48 -16.378 -3.442 -12.095 362 2HB GLU 48 1HB GLU 48 -16.338 -5.204 -12.016 363 1HG GLU 48 2HG GLU 48 -14.232 -4.908 -10.553 364 2HG GLU 48 1HG GLU 48 -14.733 -3.223 -10.401 365 H ASP 49 H ASP 49 -15.516 -2.589 -14.713 366 HA ASP 49 HA ASP 49 -16.451 -4.676 -16.644 367 1HB ASP 49 2HB ASP 49 -18.144 -3.074 -15.408 368 2HB ASP 49 1HB ASP 49 -17.594 -1.901 -16.606 369 H PHE 50 H PHE 50 -15.648 -4.527 -18.699 370 HA PHE 50 HA PHE 50 -13.424 -2.847 -19.293 371 1HB PHE 50 2HB PHE 50 -13.582 -3.705 -21.541 372 2HB PHE 50 1HB PHE 50 -14.041 -5.017 -20.454 373 HD1 PHE 50 HD1 PHE 50 -16.320 -5.827 -20.340 374 HD2 PHE 50 HD2 PHE 50 -15.300 -2.479 -22.831 375 HE1 PHE 50 HE1 PHE 50 -18.531 -5.984 -21.456 376 HE2 PHE 50 HE2 PHE 50 -17.508 -2.637 -23.946 377 HZ PHE 50 HZ PHE 50 -19.124 -4.387 -23.258 378 H ASP 51 H ASP 51 -16.860 -2.334 -19.577 379 HA ASP 51 HA ASP 51 -16.893 -0.268 -21.529 380 1HB ASP 51 2HB ASP 51 -18.816 -1.514 -20.116 381 2HB ASP 51 1HB ASP 51 -18.714 -0.018 -19.186 382 H LYS 52 H LYS 52 -17.352 0.378 -18.047 383 HA LYS 52 HA LYS 52 -16.573 3.092 -18.190 384 1HB LYS 52 2HB LYS 52 -16.531 3.073 -15.818 385 2HB LYS 52 1HB LYS 52 -17.713 1.837 -16.249 386 1HG LYS 52 2HG LYS 52 -15.820 0.143 -16.114 387 2HG LYS 52 1HG LYS 52 -14.838 1.421 -15.397 388 1HD LYS 52 2HD LYS 52 -16.038 1.434 -13.433 389 2HD LYS 52 1HD LYS 52 -17.544 0.971 -14.228 390 1HE LYS 52 2HE LYS 52 -16.802 -1.322 -14.441 391 2HE LYS 52 1HE LYS 52 -15.189 -0.902 -13.867 392 1HZ LYS 52 1HZ LYS 52 -16.007 -1.509 -11.889 393 2HZ LYS 52 2HZ LYS 52 -17.625 -1.340 -12.377 394 3HZ LYS 52 3HZ LYS 52 -16.737 0.021 -11.885 395 H LEU 53 H LEU 53 -14.633 0.190 -18.072 396 HA LEU 53 HA LEU 53 -12.188 1.364 -17.148 397 1HB LEU 53 2HB LEU 53 -12.853 -1.155 -17.581 398 2HB LEU 53 1HB LEU 53 -12.187 -0.842 -19.185 399 HG LEU 53 HG LEU 53 -10.667 -0.136 -16.672 400 1HD1 LEU 53 1HD1 LEU 53 -9.678 -2.259 -16.596 401 2HD1 LEU 53 2HD1 LEU 53 -10.178 -2.656 -18.240 402 3HD1 LEU 53 3HD1 LEU 53 -11.365 -2.644 -16.936 403 1HD2 LEU 53 1HD2 LEU 53 -9.757 0.920 -18.598 404 2HD2 LEU 53 2HD2 LEU 53 -10.013 -0.509 -19.600 405 3HD2 LEU 53 3HD2 LEU 53 -8.759 -0.515 -18.360 406 H GLU 54 H GLU 54 -13.295 0.678 -20.489 407 HA GLU 54 HA GLU 54 -11.106 2.027 -21.751 408 1HB GLU 54 2HB GLU 54 -13.855 1.175 -22.615 409 2HB GLU 54 1HB GLU 54 -12.904 2.223 -23.669 410 1HG GLU 54 2HG GLU 54 -11.909 -0.405 -22.530 411 2HG GLU 54 1HG GLU 54 -12.577 -0.214 -24.152 412 H LYS 55 H LYS 55 -14.121 3.148 -20.370 413 HA LYS 55 HA LYS 55 -14.156 5.737 -21.631 414 1HB LYS 55 2HB LYS 55 -15.320 4.822 -18.982 415 2HB LYS 55 1HB LYS 55 -15.702 6.347 -19.780 416 1HG LYS 55 2HG LYS 55 -15.981 3.891 -21.431 417 2HG LYS 55 1HG LYS 55 -17.167 4.109 -20.144 418 1HD LYS 55 2HD LYS 55 -17.529 6.463 -21.018 419 2HD LYS 55 1HD LYS 55 -16.546 6.014 -22.412 420 1HE LYS 55 2HE LYS 55 -18.092 4.282 -23.045 421 2HE LYS 55 1HE LYS 55 -18.993 4.460 -21.540 422 1HZ LYS 55 1HZ LYS 55 -20.007 6.333 -22.256 423 2HZ LYS 55 2HZ LYS 55 -19.728 5.633 -23.780 424 3HZ LYS 55 3HZ LYS 55 -18.688 6.842 -23.192 425 H ALA 56 H ALA 56 -13.447 5.015 -18.193 426 HA ALA 56 HA ALA 56 -12.221 7.437 -17.542 427 1HB ALA 56 1HB ALA 56 -10.825 6.015 -15.910 428 2HB ALA 56 2HB ALA 56 -11.671 4.623 -16.586 429 3HB ALA 56 3HB ALA 56 -12.579 5.894 -15.768 430 H ALA 57 H ALA 57 -10.637 4.525 -18.884 431 HA ALA 57 HA ALA 57 -8.001 5.509 -19.001 432 1HB ALA 57 1HB ALA 57 -7.614 3.885 -20.763 433 2HB ALA 57 2HB ALA 57 -9.339 3.801 -21.123 434 3HB ALA 57 3HB ALA 57 -8.725 3.173 -19.593 435 H VAL 58 H VAL 58 -10.330 5.534 -21.732 436 HA VAL 58 HA VAL 58 -8.895 7.205 -23.456 437 HB VAL 58 HB VAL 58 -11.880 7.013 -22.973 438 1HG1 VAL 58 1HG1 VAL 58 -11.746 7.993 -25.458 439 2HG1 VAL 58 2HG1 VAL 58 -10.280 8.735 -24.817 440 3HG1 VAL 58 3HG1 VAL 58 -11.837 9.053 -24.052 441 1HG2 VAL 58 1HG2 VAL 58 -10.675 4.999 -23.838 442 2HG2 VAL 58 2HG2 VAL 58 -10.104 5.964 -25.201 443 3HG2 VAL 58 3HG2 VAL 58 -11.829 5.651 -25.000 444 H GLU 59 H GLU 59 -10.895 8.088 -20.672 445 HA GLU 59 HA GLU 59 -10.901 10.912 -21.090 446 1HB GLU 59 2HB GLU 59 -11.565 9.061 -18.937 447 2HB GLU 59 1HB GLU 59 -10.822 10.536 -18.320 448 1HG GLU 59 2HG GLU 59 -13.215 10.895 -18.457 449 2HG GLU 59 1HG GLU 59 -12.439 11.859 -19.714 450 H ALA 60 H ALA 60 -8.725 8.890 -19.088 451 HA ALA 60 HA ALA 60 -6.970 11.022 -18.354 452 1HB ALA 60 1HB ALA 60 -5.880 8.264 -18.741 453 2HB ALA 60 2HB ALA 60 -7.159 8.485 -17.546 454 3HB ALA 60 3HB ALA 60 -5.648 9.383 -17.398 455 H PHE 61 H PHE 61 -6.838 8.678 -21.040 456 HA PHE 61 HA PHE 61 -4.375 9.422 -22.168 457 1HB PHE 61 2HB PHE 61 -5.501 7.568 -23.143 458 2HB PHE 61 1HB PHE 61 -6.965 8.508 -23.429 459 HD1 PHE 61 HD1 PHE 61 -3.380 8.200 -24.422 460 HD2 PHE 61 HD2 PHE 61 -7.267 9.721 -25.439 461 HE1 PHE 61 HE1 PHE 61 -2.547 8.823 -26.673 462 HE2 PHE 61 HE2 PHE 61 -6.434 10.344 -27.689 463 HZ PHE 61 HZ PHE 61 -4.074 9.895 -28.307 464 H LYS 62 H LYS 62 -7.521 11.024 -22.386 465 HA LYS 62 HA LYS 62 -6.697 12.953 -24.378 466 1HB LYS 62 2HB LYS 62 -9.088 12.351 -23.823 467 2HB LYS 62 1HB LYS 62 -8.899 13.251 -22.318 468 1HG LYS 62 2HG LYS 62 -7.929 15.005 -24.245 469 2HG LYS 62 1HG LYS 62 -9.312 14.248 -25.036 470 1HD LYS 62 2HD LYS 62 -10.802 14.922 -23.303 471 2HD LYS 62 1HD LYS 62 -9.473 15.358 -22.228 472 1HE LYS 62 2HE LYS 62 -10.136 16.740 -24.844 473 2HE LYS 62 1HE LYS 62 -10.495 17.368 -23.236 474 1HZ LYS 62 1HZ LYS 62 -7.950 17.186 -24.634 475 2HZ LYS 62 2HZ LYS 62 -7.916 16.859 -22.967 476 3HZ LYS 62 3HZ LYS 62 -8.502 18.350 -23.531 477 H MET 63 H MET 63 -7.181 13.219 -20.835 478 HA MET 63 HA MET 63 -6.374 15.820 -20.385 479 1HB MET 63 2HB MET 63 -5.884 13.283 -18.849 480 2HB MET 63 1HB MET 63 -5.156 14.788 -18.289 481 1HG MET 63 2HG MET 63 -7.555 15.776 -18.556 482 2HG MET 63 1HG MET 63 -8.074 14.090 -18.549 483 1HE MET 63 1HE MET 63 -7.746 12.776 -15.193 484 2HE MET 63 2HE MET 63 -6.541 12.425 -16.431 485 3HE MET 63 3HE MET 63 -8.227 12.647 -16.892 486 H GLY 64 H GLY 64 -4.165 13.030 -20.752 487 1HA GLY 64 2HA GLY 64 -2.222 13.848 -22.358 488 2HA GLY 64 1HA GLY 64 -1.894 14.926 -21.000 489 H PHE 65 H PHE 65 -3.069 11.617 -20.665 490 HA PHE 65 HA PHE 65 -0.515 10.972 -19.257 491 1HB PHE 65 2HB PHE 65 -3.326 9.891 -18.984 492 2HB PHE 65 1HB PHE 65 -1.931 9.081 -18.271 493 HD1 PHE 65 HD1 PHE 65 -3.776 12.320 -18.362 494 HD2 PHE 65 HD2 PHE 65 -0.971 9.851 -16.245 495 HE1 PHE 65 HE1 PHE 65 -3.850 13.885 -16.440 496 HE2 PHE 65 HE2 PHE 65 -1.043 11.417 -14.322 497 HZ PHE 65 HZ PHE 65 -2.483 13.433 -14.419 498 H GLU 66 H GLU 66 0.428 8.861 -19.641 499 HA GLU 66 HA GLU 66 -0.112 7.892 -22.394 500 1HB GLU 66 2HB GLU 66 2.238 8.175 -20.764 501 2HB GLU 66 1HB GLU 66 2.052 6.474 -21.196 502 1HG GLU 66 2HG GLU 66 1.784 8.673 -23.249 503 2HG GLU 66 1HG GLU 66 3.345 7.952 -22.856 504 H VAL 67 H VAL 67 -2.182 6.920 -21.544 505 HA VAL 67 HA VAL 67 -2.444 4.942 -19.611 506 HB VAL 67 HB VAL 67 -4.422 5.543 -20.756 507 1HG1 VAL 67 1HG1 VAL 67 -4.685 5.467 -23.158 508 2HG1 VAL 67 2HG1 VAL 67 -3.142 4.636 -23.349 509 3HG1 VAL 67 3HG1 VAL 67 -3.178 6.315 -22.813 510 1HG2 VAL 67 1HG2 VAL 67 -3.870 2.957 -20.397 511 2HG2 VAL 67 2HG2 VAL 67 -3.975 2.937 -22.157 512 3HG2 VAL 67 3HG2 VAL 67 -5.355 3.470 -21.197 513 H LEU 68 H LEU 68 -2.025 2.710 -19.514 514 HA LEU 68 HA LEU 68 -0.424 1.586 -21.776 515 1HB LEU 68 2HB LEU 68 0.458 2.121 -19.116 516 2HB LEU 68 1HB LEU 68 0.352 0.370 -19.297 517 HG LEU 68 HG LEU 68 1.629 0.617 -21.472 518 1HD1 LEU 68 1HD1 LEU 68 2.996 3.009 -20.982 519 2HD1 LEU 68 2HD1 LEU 68 1.300 3.415 -20.726 520 3HD1 LEU 68 3HD1 LEU 68 1.819 2.723 -22.264 521 1HD2 LEU 68 1HD2 LEU 68 3.230 1.739 -19.179 522 2HD2 LEU 68 2HD2 LEU 68 3.707 0.534 -20.374 523 3HD2 LEU 68 3HD2 LEU 68 2.577 0.102 -19.092 524 H GLU 69 H GLU 69 -1.036 -0.462 -22.393 525 HA GLU 69 HA GLU 69 -3.495 -1.567 -21.898 526 1HB GLU 69 2HB GLU 69 -1.828 -2.477 -23.520 527 2HB GLU 69 1HB GLU 69 -0.955 -3.204 -22.170 528 1HG GLU 69 2HG GLU 69 -2.939 -4.528 -21.578 529 2HG GLU 69 1HG GLU 69 -3.843 -3.779 -22.894 530 H ALA 70 H ALA 70 -4.172 -3.428 -20.522 531 HA ALA 70 HA ALA 70 -2.962 -3.175 -17.808 532 1HB ALA 70 1HB ALA 70 -5.129 -4.126 -17.013 533 2HB ALA 70 2HB ALA 70 -5.691 -4.168 -18.684 534 3HB ALA 70 3HB ALA 70 -5.342 -2.623 -17.911 535 H GLU 71 H GLU 71 -3.371 -5.344 -16.505 536 HA GLU 71 HA GLU 71 -2.646 -7.663 -18.243 537 1HB GLU 71 2HB GLU 71 -0.547 -7.291 -17.356 538 2HB GLU 71 1HB GLU 71 -1.182 -6.505 -15.911 539 1HG GLU 71 2HG GLU 71 -1.719 -8.571 -14.884 540 2HG GLU 71 1HG GLU 71 -1.591 -9.455 -16.406 541 H GLU 72 H GLU 72 -4.120 -9.254 -17.927 542 HA GLU 72 HA GLU 72 -6.147 -9.186 -15.943 543 1HB GLU 72 2HB GLU 72 -5.845 -11.883 -16.600 544 2HB GLU 72 1HB GLU 72 -6.888 -10.722 -17.420 545 1HG GLU 72 2HG GLU 72 -5.213 -10.219 -19.047 546 2HG GLU 72 1HG GLU 72 -3.964 -11.049 -18.118 547 H THR 73 H THR 73 -5.120 -8.848 -13.893 548 HA THR 73 HA THR 73 -3.565 -11.193 -12.883 549 HB THR 73 HB THR 73 -2.270 -9.155 -12.712 550 HG1 THR 73 HG1 THR 73 -2.204 -10.521 -10.902 551 1HG2 THR 73 1HG2 THR 73 -4.493 -7.757 -12.755 552 2HG2 THR 73 2HG2 THR 73 -3.079 -7.117 -11.916 553 3HG2 THR 73 3HG2 THR 73 -4.379 -7.878 -10.999 554 H GLU 74 H GLU 74 -4.117 -9.895 -10.129 555 HA GLU 74 HA GLU 74 -6.969 -10.182 -9.707 556 1HB GLU 74 2HB GLU 74 -6.904 -12.260 -8.398 557 2HB GLU 74 1HB GLU 74 -6.361 -12.563 -10.049 558 1HG GLU 74 2HG GLU 74 -4.010 -12.390 -9.307 559 2HG GLU 74 1HG GLU 74 -4.558 -12.108 -7.654 560 H ASP 75 H ASP 75 -7.539 -9.485 -7.617 561 HA ASP 75 HA ASP 75 -5.438 -8.070 -6.159 562 1HB ASP 75 2HB ASP 75 -7.325 -7.422 -4.644 563 2HB ASP 75 1HB ASP 75 -7.646 -7.048 -6.338 564 H GLU 76 H GLU 76 -4.758 -10.724 -6.128 565 HA GLU 76 HA GLU 76 -4.324 -12.551 -4.710 566 1HB GLU 76 2HB GLU 76 -4.620 -10.382 -2.609 567 2HB GLU 76 1HB GLU 76 -3.786 -11.921 -2.400 568 1HG GLU 76 2HG GLU 76 -2.069 -10.343 -2.886 569 2HG GLU 76 1HG GLU 76 -2.326 -11.226 -4.391 570 H ASP 77 H ASP 77 -7.260 -11.438 -5.102 571 HA ASP 77 HA ASP 77 -8.456 -12.989 -2.842 572 1HB ASP 77 2HB ASP 77 -9.021 -10.437 -3.434 573 2HB ASP 77 1HB ASP 77 -10.136 -11.217 -4.557 574 H GLY 78 H GLY 78 -7.659 -13.248 -6.055 575 1HA GLY 78 2HA GLY 78 -8.191 -15.000 -7.554 576 2HA GLY 78 1HA GLY 78 -9.395 -15.575 -6.399 577 H ASN 79 H ASN 79 -9.096 -12.360 -7.906 578 HA ASN 79 HA ASN 79 -11.717 -12.861 -9.254 579 1HB ASN 79 2HB ASN 79 -10.994 -10.807 -7.264 580 2HB ASN 79 1HB ASN 79 -11.792 -10.173 -8.704 581 1HD2 ASN 79 1HD2 ASN 79 -12.637 -10.971 -5.712 582 2HD2 ASN 79 2HD2 ASN 79 -14.136 -11.724 -5.971 583 H LYS 80 H LYS 80 -10.664 -13.124 -11.281 584 HA LYS 80 HA LYS 80 -8.597 -11.678 -12.414 585 1HB LYS 80 2HB LYS 80 -11.152 -12.726 -13.630 586 2HB LYS 80 1HB LYS 80 -9.942 -11.906 -14.618 587 1HG LYS 80 2HG LYS 80 -8.242 -13.519 -13.969 588 2HG LYS 80 1HG LYS 80 -9.356 -14.289 -12.838 589 1HD LYS 80 2HD LYS 80 -10.774 -15.050 -14.627 590 2HD LYS 80 1HD LYS 80 -9.899 -14.079 -15.810 591 1HE LYS 80 2HE LYS 80 -8.485 -15.791 -16.162 592 2HE LYS 80 1HE LYS 80 -7.992 -15.725 -14.469 593 1HZ LYS 80 1HZ LYS 80 -8.882 -17.897 -15.069 594 2HZ LYS 80 2HZ LYS 80 -10.358 -17.184 -15.516 595 3HZ LYS 80 3HZ LYS 80 -9.847 -17.144 -13.896 596 H LEU 81 H LEU 81 -8.286 -9.511 -12.489 597 HA LEU 81 HA LEU 81 -10.600 -7.786 -13.237 598 1HB LEU 81 2HB LEU 81 -9.856 -6.103 -11.573 599 2HB LEU 81 1HB LEU 81 -10.333 -7.614 -10.798 600 HG LEU 81 HG LEU 81 -7.644 -8.011 -11.348 601 1HD1 LEU 81 1HD1 LEU 81 -6.443 -6.061 -10.738 602 2HD1 LEU 81 2HD1 LEU 81 -7.892 -5.255 -10.139 603 3HD1 LEU 81 3HD1 LEU 81 -7.662 -5.482 -11.872 604 1HD2 LEU 81 1HD2 LEU 81 -8.670 -8.711 -9.294 605 2HD2 LEU 81 2HD2 LEU 81 -9.093 -7.053 -8.866 606 3HD2 LEU 81 3HD2 LEU 81 -7.405 -7.565 -8.850 607 H LEU 82 H LEU 82 -10.037 -6.086 -14.609 608 HA LEU 82 HA LEU 82 -7.403 -6.285 -15.870 609 1HB LEU 82 2HB LEU 82 -9.875 -4.631 -16.374 610 2HB LEU 82 1HB LEU 82 -8.366 -4.296 -17.224 611 HG LEU 82 HG LEU 82 -8.326 -6.466 -18.214 612 1HD1 LEU 82 1HD1 LEU 82 -8.915 -7.880 -16.386 613 2HD1 LEU 82 2HD1 LEU 82 -10.177 -8.127 -17.593 614 3HD1 LEU 82 3HD1 LEU 82 -10.485 -7.099 -16.193 615 1HD2 LEU 82 1HD2 LEU 82 -9.988 -4.841 -19.167 616 2HD2 LEU 82 2HD2 LEU 82 -11.234 -5.601 -18.179 617 3HD2 LEU 82 3HD2 LEU 82 -10.426 -6.528 -19.443 618 H CYS 83 H CYS 83 -5.674 -5.003 -15.437 619 HA CYS 83 HA CYS 83 -6.133 -2.565 -13.765 620 1HB CYS 83 2HB CYS 83 -3.821 -3.031 -12.835 621 2HB CYS 83 1HB CYS 83 -5.052 -4.205 -12.369 622 HG CYS 83 HG CYS 83 -3.857 -5.974 -13.642 623 H PHE 84 H PHE 84 -5.977 -1.000 -15.371 624 HA PHE 84 HA PHE 84 -3.777 -1.192 -17.341 625 1HB PHE 84 2HB PHE 84 -4.832 0.856 -18.315 626 2HB PHE 84 1HB PHE 84 -5.950 -0.502 -18.198 627 HD1 PHE 84 HD1 PHE 84 -5.210 2.878 -17.112 628 HD2 PHE 84 HD2 PHE 84 -7.585 -0.602 -16.277 629 HE1 PHE 84 HE1 PHE 84 -6.735 4.253 -15.724 630 HE2 PHE 84 HE2 PHE 84 -9.111 0.773 -14.886 631 HZ PHE 84 HZ PHE 84 -8.686 3.201 -14.611 632 H ASP 85 H ASP 85 -2.093 0.346 -17.466 633 HA ASP 85 HA ASP 85 -1.710 1.926 -14.959 634 1HB ASP 85 2HB ASP 85 0.491 1.353 -16.925 635 2HB ASP 85 1HB ASP 85 0.597 1.620 -15.185 636 H ALA 86 H ALA 86 -0.530 4.027 -15.266 637 HA ALA 86 HA ALA 86 -0.911 5.258 -17.943 638 1HB ALA 86 1HB ALA 86 -2.956 5.654 -16.447 639 2HB ALA 86 2HB ALA 86 -2.186 7.095 -17.111 640 3HB ALA 86 3HB ALA 86 -1.895 6.632 -15.435 641 H THR 87 H THR 87 0.865 6.473 -18.434 642 HA THR 87 HA THR 87 2.693 7.182 -16.182 643 HB THR 87 HB THR 87 4.015 7.527 -18.663 644 HG1 THR 87 HG1 THR 87 3.718 5.303 -19.407 645 1HG2 THR 87 1HG2 THR 87 5.206 5.399 -17.821 646 2HG2 THR 87 2HG2 THR 87 4.105 5.485 -16.446 647 3HG2 THR 87 3HG2 THR 87 5.226 6.809 -16.763 648 H MET 88 H MET 88 3.315 9.308 -15.904 649 HA MET 88 HA MET 88 2.324 11.296 -17.902 650 1HB MET 88 2HB MET 88 0.817 11.231 -15.916 651 2HB MET 88 1HB MET 88 2.200 11.599 -14.885 652 1HG MET 88 2HG MET 88 1.183 13.704 -15.284 653 2HG MET 88 1HG MET 88 2.553 13.657 -16.394 654 1HE MET 88 1HE MET 88 0.011 15.671 -16.836 655 2HE MET 88 2HE MET 88 -0.802 14.486 -15.819 656 3HE MET 88 3HE MET 88 -1.450 14.858 -17.413 657 H GLN 89 H GLN 89 4.331 11.817 -18.757 658 HA GLN 89 HA GLN 89 6.733 12.038 -17.190 659 1HB GLN 89 2HB GLN 89 5.929 12.919 -19.957 660 2HB GLN 89 1HB GLN 89 7.487 13.399 -19.282 661 1HG GLN 89 2HG GLN 89 8.267 11.198 -19.164 662 2HG GLN 89 1HG GLN 89 6.640 10.517 -19.173 663 1HE2 GLN 89 1HE2 GLN 89 7.680 9.169 -21.023 664 2HE2 GLN 89 2HE2 GLN 89 7.613 9.830 -22.585 665 H SER 90 H SER 90 7.265 13.643 -15.810 666 HA SER 90 HA SER 90 6.757 16.436 -16.425 667 1HB SER 90 2HB SER 90 5.282 16.911 -14.524 668 2HB SER 90 1HB SER 90 4.519 15.741 -15.598 669 HG SER 90 HG SER 90 5.903 15.241 -13.169 670 H ALA 91 H ALA 91 7.492 17.816 -14.457 671 HA ALA 91 HA ALA 91 10.093 16.943 -13.653 672 1HB ALA 91 1HB ALA 91 8.375 19.275 -13.201 673 2HB ALA 91 2HB ALA 91 10.127 19.191 -13.387 674 3HB ALA 91 3HB ALA 91 9.392 18.891 -11.812 675 H LEU 92 H LEU 92 10.568 17.142 -11.080 676 HA LEU 92 HA LEU 92 8.777 15.105 -9.831 677 1HB LEU 92 2HB LEU 92 11.209 14.524 -10.164 678 2HB LEU 92 1HB LEU 92 11.613 15.823 -9.044 679 HG LEU 92 HG LEU 92 9.800 14.571 -7.530 680 1HD1 LEU 92 1HD1 LEU 92 9.196 12.836 -9.073 681 2HD1 LEU 92 2HD1 LEU 92 10.207 12.076 -7.842 682 3HD1 LEU 92 3HD1 LEU 92 10.887 12.471 -9.421 683 1HD2 LEU 92 1HD2 LEU 92 12.199 15.022 -6.990 684 2HD2 LEU 92 2HD2 LEU 92 12.644 13.568 -7.882 685 3HD2 LEU 92 3HD2 LEU 92 11.666 13.441 -6.421 686 H ASP 93 H ASP 93 7.254 16.393 -8.783 687 HA ASP 93 HA ASP 93 8.309 18.024 -6.533 688 1HB ASP 93 2HB ASP 93 6.066 19.447 -7.407 689 2HB ASP 93 1HB ASP 93 7.750 19.939 -7.598 690 H ALA 94 H ALA 94 7.475 16.850 -4.858 691 HA ALA 94 HA ALA 94 5.374 15.104 -4.731 692 1HB ALA 94 1HB ALA 94 5.182 16.864 -2.432 693 2HB ALA 94 2HB ALA 94 6.869 16.548 -2.836 694 3HB ALA 94 3HB ALA 94 5.772 15.204 -2.515 695 H LYS 95 H LYS 95 4.784 18.428 -3.575 696 HA LYS 95 HA LYS 95 2.087 18.562 -3.511 697 1HB LYS 95 2HB LYS 95 3.993 20.564 -4.731 698 2HB LYS 95 1HB LYS 95 2.274 20.909 -4.544 699 1HG LYS 95 2HG LYS 95 3.325 19.795 -2.092 700 2HG LYS 95 1HG LYS 95 4.291 21.185 -2.586 701 1HD LYS 95 2HD LYS 95 2.257 22.550 -2.792 702 2HD LYS 95 1HD LYS 95 1.268 21.160 -2.340 703 1HE LYS 95 2HE LYS 95 2.080 21.145 -0.129 704 2HE LYS 95 1HE LYS 95 3.491 22.116 -0.544 705 1HZ LYS 95 1HZ LYS 95 0.933 22.974 0.290 706 2HZ LYS 95 2HZ LYS 95 1.273 23.611 -1.249 707 3HZ LYS 95 3HZ LYS 95 2.337 23.892 0.047 708 H LEU 96 H LEU 96 3.801 19.214 -6.603 709 HA LEU 96 HA LEU 96 1.562 19.276 -8.278 710 1HB LEU 96 2HB LEU 96 4.247 19.375 -8.707 711 2HB LEU 96 1HB LEU 96 3.880 17.778 -9.358 712 HG LEU 96 HG LEU 96 1.958 18.908 -10.627 713 1HD1 LEU 96 1HD1 LEU 96 1.653 21.139 -10.448 714 2HD1 LEU 96 2HD1 LEU 96 3.373 21.459 -10.675 715 3HD1 LEU 96 3HD1 LEU 96 2.749 21.086 -9.067 716 1HD2 LEU 96 1HD2 LEU 96 4.829 19.670 -11.257 717 2HD2 LEU 96 2HD2 LEU 96 3.494 19.706 -12.409 718 3HD2 LEU 96 3HD2 LEU 96 4.029 18.171 -11.728 719 H ILE 97 H ILE 97 3.410 16.412 -7.216 720 HA ILE 97 HA ILE 97 1.923 14.475 -8.672 721 HB ILE 97 HB ILE 97 3.330 14.286 -5.994 722 1HG1 ILE 97 2HG1 ILE 97 4.219 13.059 -8.592 723 2HG1 ILE 97 1HG1 ILE 97 4.527 14.770 -8.287 724 1HG2 ILE 97 1HG2 ILE 97 3.269 11.745 -6.978 725 2HG2 ILE 97 2HG2 ILE 97 1.697 12.340 -7.514 726 3HG2 ILE 97 3HG2 ILE 97 2.112 12.366 -5.799 727 1HD1 ILE 97 1HD1 ILE 97 5.191 13.097 -5.984 728 2HD1 ILE 97 2HD1 ILE 97 6.174 14.308 -6.809 729 3HD1 ILE 97 3HD1 ILE 97 6.113 12.655 -7.422 730 H ASP 98 H ASP 98 1.148 16.304 -5.806 731 HA ASP 98 HA ASP 98 -1.006 14.562 -4.921 732 1HB ASP 98 2HB ASP 98 0.293 16.402 -3.584 733 2HB ASP 98 1HB ASP 98 -0.881 17.506 -4.303 734 H GLU 99 H GLU 99 -0.808 17.537 -6.869 735 HA GLU 99 HA GLU 99 -3.631 17.853 -7.233 736 1HB GLU 99 2HB GLU 99 -1.238 18.738 -8.855 737 2HB GLU 99 1HB GLU 99 -2.891 19.129 -9.333 738 1HG GLU 99 2HG GLU 99 -3.068 20.734 -7.754 739 2HG GLU 99 1HG GLU 99 -2.406 19.678 -6.506 740 H GLN 100 H GLN 100 -1.167 16.046 -9.038 741 HA GLN 100 HA GLN 100 -2.974 15.228 -11.147 742 1HB GLN 100 2HB GLN 100 -0.410 13.894 -10.227 743 2HB GLN 100 1HB GLN 100 -1.202 13.681 -11.788 744 1HG GLN 100 2HG GLN 100 -0.887 16.105 -12.251 745 2HG GLN 100 1HG GLN 100 -0.023 16.263 -10.721 746 1HE2 GLN 100 1HE2 GLN 100 1.066 16.659 -13.483 747 2HE2 GLN 100 2HE2 GLN 100 2.350 15.559 -13.632 748 H VAL 101 H VAL 101 -1.702 13.579 -8.235 749 HA VAL 101 HA VAL 101 -3.121 11.146 -8.567 750 HB VAL 101 HB VAL 101 -2.119 12.626 -6.136 751 1HG1 VAL 101 1HG1 VAL 101 -4.025 10.359 -6.285 752 2HG1 VAL 101 2HG1 VAL 101 -3.752 11.516 -4.983 753 3HG1 VAL 101 3HG1 VAL 101 -2.667 10.139 -5.182 754 1HG2 VAL 101 1HG2 VAL 101 -0.409 11.558 -7.458 755 2HG2 VAL 101 2HG2 VAL 101 -1.366 10.085 -7.607 756 3HG2 VAL 101 3HG2 VAL 101 -0.678 10.533 -6.048 757 H GLU 102 H GLU 102 -4.074 14.096 -6.778 758 HA GLU 102 HA GLU 102 -6.630 13.200 -5.944 759 1HB GLU 102 2HB GLU 102 -5.461 15.368 -5.287 760 2HB GLU 102 1HB GLU 102 -6.002 16.027 -6.831 761 1HG GLU 102 2HG GLU 102 -8.322 15.681 -6.243 762 2HG GLU 102 1HG GLU 102 -7.869 14.804 -4.780 763 H LYS 103 H LYS 103 -5.632 14.803 -8.966 764 HA LYS 103 HA LYS 103 -8.195 15.017 -10.160 765 1HB LYS 103 2HB LYS 103 -5.421 14.662 -11.300 766 2HB LYS 103 1HB LYS 103 -6.833 14.761 -12.351 767 1HG LYS 103 2HG LYS 103 -7.018 16.855 -10.406 768 2HG LYS 103 1HG LYS 103 -5.408 16.907 -11.122 769 1HD LYS 103 2HD LYS 103 -6.308 17.059 -13.343 770 2HD LYS 103 1HD LYS 103 -7.939 16.709 -12.769 771 1HE LYS 103 2HE LYS 103 -8.001 19.035 -12.981 772 2HE LYS 103 1HE LYS 103 -7.577 18.839 -11.279 773 1HZ LYS 103 1HZ LYS 103 -5.414 19.438 -11.650 774 2HZ LYS 103 2HZ LYS 103 -6.198 20.410 -12.802 775 3HZ LYS 103 3HZ LYS 103 -5.434 18.971 -13.281 776 H LEU 104 H LEU 104 -5.854 12.332 -10.189 777 HA LEU 104 HA LEU 104 -7.442 10.603 -11.851 778 1HB LEU 104 2HB LEU 104 -5.230 10.089 -9.850 779 2HB LEU 104 1HB LEU 104 -6.003 8.786 -10.756 780 HG LEU 104 HG LEU 104 -4.862 11.209 -12.149 781 1HD1 LEU 104 1HD1 LEU 104 -2.918 10.425 -11.104 782 2HD1 LEU 104 2HD1 LEU 104 -2.918 9.512 -12.612 783 3HD1 LEU 104 3HD1 LEU 104 -3.469 8.750 -11.121 784 1HD2 LEU 104 1HD2 LEU 104 -5.461 10.100 -14.028 785 2HD2 LEU 104 2HD2 LEU 104 -6.389 9.024 -12.983 786 3HD2 LEU 104 3HD2 LEU 104 -4.742 8.597 -13.450 787 H VAL 105 H VAL 105 -7.478 11.398 -8.450 788 HA VAL 105 HA VAL 105 -9.049 9.117 -7.599 789 HB VAL 105 HB VAL 105 -8.305 11.774 -6.410 790 1HG1 VAL 105 1HG1 VAL 105 -10.506 9.919 -5.490 791 2HG1 VAL 105 2HG1 VAL 105 -10.575 11.667 -5.713 792 3HG1 VAL 105 3HG1 VAL 105 -9.659 10.985 -4.369 793 1HG2 VAL 105 1HG2 VAL 105 -7.051 9.412 -6.373 794 2HG2 VAL 105 2HG2 VAL 105 -8.148 9.129 -5.022 795 3HG2 VAL 105 3HG2 VAL 105 -7.024 10.487 -4.976 796 H ASN 106 H ASN 106 -10.026 12.565 -7.707 797 HA ASN 106 HA ASN 106 -12.772 12.248 -7.562 798 1HB ASN 106 2HB ASN 106 -11.215 14.166 -9.322 799 2HB ASN 106 1HB ASN 106 -12.946 14.301 -9.010 800 1HD2 ASN 106 1HD2 ASN 106 -9.792 14.968 -7.717 801 2HD2 ASN 106 2HD2 ASN 106 -10.306 15.576 -6.219 802 H LEU 107 H LEU 107 -10.697 11.703 -10.369 803 HA LEU 107 HA LEU 107 -12.850 11.293 -12.248 804 1HB LEU 107 2HB LEU 107 -10.447 11.798 -12.845 805 2HB LEU 107 1HB LEU 107 -10.051 10.144 -12.379 806 HG LEU 107 HG LEU 107 -12.069 9.570 -14.013 807 1HD1 LEU 107 1HD1 LEU 107 -12.385 11.108 -15.780 808 2HD1 LEU 107 2HD1 LEU 107 -10.940 12.026 -15.356 809 3HD1 LEU 107 3HD1 LEU 107 -12.378 12.124 -14.340 810 1HD2 LEU 107 1HD2 LEU 107 -9.761 8.778 -14.288 811 2HD2 LEU 107 2HD2 LEU 107 -9.279 10.352 -14.922 812 3HD2 LEU 107 3HD2 LEU 107 -10.391 9.335 -15.838 813 H ALA 108 H ALA 108 -10.679 8.961 -10.598 814 HA ALA 108 HA ALA 108 -11.792 6.573 -11.438 815 1HB ALA 108 1HB ALA 108 -11.338 5.798 -8.980 816 2HB ALA 108 2HB ALA 108 -10.686 7.424 -8.772 817 3HB ALA 108 3HB ALA 108 -9.980 6.336 -9.968 818 H GLU 109 H GLU 109 -12.937 8.451 -8.606 819 HA GLU 109 HA GLU 109 -15.256 6.793 -8.195 820 1HB GLU 109 2HB GLU 109 -14.654 9.642 -7.342 821 2HB GLU 109 1HB GLU 109 -16.047 8.714 -6.784 822 1HG GLU 109 2HG GLU 109 -13.606 7.169 -6.506 823 2HG GLU 109 1HG GLU 109 -13.472 8.711 -5.660 824 H LYS 110 H LYS 110 -14.548 9.419 -10.357 825 HA LYS 110 HA LYS 110 -17.215 10.324 -10.864 826 1HB LYS 110 2HB LYS 110 -14.960 11.352 -11.630 827 2HB LYS 110 1HB LYS 110 -15.061 10.215 -12.975 828 1HG LYS 110 2HG LYS 110 -17.443 11.134 -13.337 829 2HG LYS 110 1HG LYS 110 -16.958 12.457 -12.276 830 1HD LYS 110 2HD LYS 110 -16.366 13.329 -14.349 831 2HD LYS 110 1HD LYS 110 -14.855 12.554 -13.875 832 1HE LYS 110 2HE LYS 110 -14.999 11.474 -15.862 833 2HE LYS 110 1HE LYS 110 -16.222 10.481 -15.070 834 1HZ LYS 110 1HZ LYS 110 -17.701 12.551 -15.777 835 2HZ LYS 110 2HZ LYS 110 -17.455 11.213 -16.793 836 3HZ LYS 110 3HZ LYS 110 -16.540 12.629 -17.010 837 H PHE 111 H PHE 111 -15.348 7.598 -12.109 838 HA PHE 111 HA PHE 111 -17.632 6.872 -13.880 839 1HB PHE 111 2HB PHE 111 -14.715 6.309 -13.876 840 2HB PHE 111 1HB PHE 111 -15.757 4.998 -14.427 841 HD1 PHE 111 HD1 PHE 111 -17.503 5.515 -16.233 842 HD2 PHE 111 HD2 PHE 111 -14.252 8.155 -15.279 843 HE1 PHE 111 HE1 PHE 111 -17.789 6.657 -18.417 844 HE2 PHE 111 HE2 PHE 111 -14.538 9.298 -17.462 845 HZ PHE 111 HZ PHE 111 -16.306 8.548 -19.030 846 H ASP 112 H ASP 112 -15.303 4.804 -12.152 847 HA ASP 112 HA ASP 112 -16.912 3.821 -10.096 848 1HB ASP 112 2HB ASP 112 -17.793 2.912 -12.740 849 2HB ASP 112 1HB ASP 112 -17.438 1.578 -11.641 850 H ILE 113 H ILE 113 -14.125 4.154 -10.958 851 HA ILE 113 HA ILE 113 -13.175 1.337 -10.616 852 HB ILE 113 HB ILE 113 -11.060 2.114 -11.690 853 1HG1 ILE 113 2HG1 ILE 113 -12.672 4.660 -12.046 854 2HG1 ILE 113 1HG1 ILE 113 -11.180 4.481 -11.124 855 1HG2 ILE 113 1HG2 ILE 113 -13.421 1.405 -12.882 856 2HG2 ILE 113 2HG2 ILE 113 -11.905 1.636 -13.751 857 3HG2 ILE 113 3HG2 ILE 113 -13.085 2.945 -13.674 858 1HD1 ILE 113 1HD1 ILE 113 -11.480 5.041 -13.917 859 2HD1 ILE 113 2HD1 ILE 113 -10.694 3.472 -13.745 860 3HD1 ILE 113 3HD1 ILE 113 -9.989 4.898 -12.985 861 H ILE 114 H ILE 114 -10.756 1.521 -9.638 862 HA ILE 114 HA ILE 114 -10.923 3.418 -7.330 863 HB ILE 114 HB ILE 114 -11.338 1.351 -6.312 864 1HG1 ILE 114 2HG1 ILE 114 -8.307 1.407 -6.364 865 2HG1 ILE 114 1HG1 ILE 114 -9.275 2.545 -5.424 866 1HG2 ILE 114 1HG2 ILE 114 -11.054 -0.039 -8.304 867 2HG2 ILE 114 2HG2 ILE 114 -10.133 -0.732 -6.969 868 3HG2 ILE 114 3HG2 ILE 114 -9.304 0.175 -8.233 869 1HD1 ILE 114 1HD1 ILE 114 -8.916 -0.406 -5.040 870 2HD1 ILE 114 2HD1 ILE 114 -10.435 0.337 -4.540 871 3HD1 ILE 114 3HD1 ILE 114 -8.911 0.885 -3.839 872 H TYR 115 H TYR 115 -8.903 4.231 -6.566 873 HA TYR 115 HA TYR 115 -6.589 3.735 -8.398 874 1HB TYR 115 2HB TYR 115 -7.166 5.914 -8.993 875 2HB TYR 115 1HB TYR 115 -7.760 6.305 -7.379 876 HD1 TYR 115 HD1 TYR 115 -6.349 7.321 -5.776 877 HD2 TYR 115 HD2 TYR 115 -4.650 5.570 -9.311 878 HE1 TYR 115 HE1 TYR 115 -4.141 8.287 -5.192 879 HE2 TYR 115 HE2 TYR 115 -2.441 6.536 -8.727 880 HH TYR 115 HH TYR 115 -1.258 7.598 -7.155 881 H ASP 116 H ASP 116 -5.619 2.263 -6.925 882 HA ASP 116 HA ASP 116 -4.464 3.572 -4.515 883 1HB ASP 116 2HB ASP 116 -6.572 2.066 -4.074 884 2HB ASP 116 1HB ASP 116 -5.442 0.736 -4.327 885 H GLY 117 H GLY 117 -2.778 3.459 -6.447 886 1HA GLY 117 2HA GLY 117 -0.743 1.627 -5.713 887 2HA GLY 117 1HA GLY 117 -1.574 0.955 -7.116 888 H TRP 118 H TRP 118 0.315 3.717 -5.970 889 HA TRP 118 HA TRP 118 0.889 4.372 -8.834 890 1HB TRP 118 2HB TRP 118 0.790 6.634 -8.385 891 2HB TRP 118 1HB TRP 118 -0.360 6.069 -7.173 892 HD1 TRP 118 HD1 TRP 118 0.436 6.009 -4.638 893 HE1 TRP 118 HE1 TRP 118 2.373 7.191 -3.413 894 HE3 TRP 118 HE3 TRP 118 3.232 7.498 -8.642 895 HZ2 TRP 118 HZ2 TRP 118 4.792 8.583 -4.051 896 HZ3 TRP 118 HZ3 TRP 118 5.344 8.747 -8.307 897 HH2 TRP 118 HH2 TRP 118 6.127 9.292 -6.018 898 H GLY 119 H GLY 119 3.105 4.798 -9.337 899 1HA GLY 119 2HA GLY 119 5.122 4.778 -7.225 900 2HA GLY 119 1HA GLY 119 5.087 3.285 -8.162 901 H THR 120 H THR 120 7.234 5.277 -8.056 902 HA THR 120 HA THR 120 7.342 5.894 -10.973 903 HB THR 120 HB THR 120 6.840 7.997 -9.809 904 HG1 THR 120 HG1 THR 120 9.600 7.989 -10.397 905 1HG2 THR 120 1HG2 THR 120 8.906 8.738 -8.279 906 2HG2 THR 120 2HG2 THR 120 9.002 6.997 -8.016 907 3HG2 THR 120 3HG2 THR 120 7.524 7.869 -7.615 908 H TYR 121 H TYR 121 9.585 6.037 -11.779 909 HA TYR 121 HA TYR 121 11.567 4.737 -9.960 910 1HB TYR 121 2HB TYR 121 11.084 4.074 -12.881 911 2HB TYR 121 1HB TYR 121 12.364 3.392 -11.877 912 HD1 TYR 121 HD1 TYR 121 9.264 2.663 -13.190 913 HD2 TYR 121 HD2 TYR 121 11.337 2.603 -9.428 914 HE1 TYR 121 HE1 TYR 121 7.689 0.943 -12.348 915 HE2 TYR 121 HE2 TYR 121 9.761 0.883 -8.586 916 HH TYR 121 HH TYR 121 8.252 -0.947 -9.742 917 H TYR 122 H TYR 122 13.829 5.164 -10.607 918 HA TYR 122 HA TYR 122 14.078 7.884 -11.751 919 1HB TYR 122 2HB TYR 122 15.261 7.547 -9.677 920 2HB TYR 122 1HB TYR 122 16.024 6.080 -10.289 921 HD1 TYR 122 HD1 TYR 122 18.193 6.245 -11.117 922 HD2 TYR 122 HD2 TYR 122 15.635 9.695 -11.233 923 HE1 TYR 122 HE1 TYR 122 20.056 7.596 -12.042 924 HE2 TYR 122 HE2 TYR 122 17.500 11.045 -12.156 925 HH TYR 122 HH TYR 122 20.688 10.065 -12.085 926 H GLU 123 H GLU 123 16.376 8.041 -13.009 927 HA GLU 123 HA GLU 123 16.001 6.346 -15.382 928 1HB GLU 123 2HB GLU 123 18.149 8.430 -14.917 929 2HB GLU 123 1HB GLU 123 17.561 7.819 -16.463 930 1HG GLU 123 2HG GLU 123 15.560 9.007 -16.327 931 2HG GLU 123 1HG GLU 123 15.627 9.117 -14.569 932 H GLY 124 H GLY 124 18.164 5.525 -16.416 933 1HA GLY 124 2HA GLY 124 19.707 3.741 -16.203 934 2HA GLY 124 1HA GLY 124 20.507 4.902 -15.143 935 H LEU 125 H LEU 125 17.673 2.709 -14.950 936 HA LEU 125 HA LEU 125 18.772 1.757 -12.341 937 1HB LEU 125 2HB LEU 125 16.873 3.356 -11.995 938 2HB LEU 125 1HB LEU 125 15.840 2.265 -12.921 939 HG LEU 125 HG LEU 125 17.372 0.974 -10.751 940 1HD1 LEU 125 1HD1 LEU 125 16.845 3.048 -9.601 941 2HD1 LEU 125 2HD1 LEU 125 15.749 1.794 -9.020 942 3HD1 LEU 125 3HD1 LEU 125 15.181 2.992 -10.183 943 1HD2 LEU 125 1HD2 LEU 125 14.410 0.966 -11.390 944 2HD2 LEU 125 2HD2 LEU 125 15.316 -0.251 -10.490 945 3HD2 LEU 125 3HD2 LEU 125 15.578 -0.059 -12.224 946 H GLU 126 H GLU 126 19.173 -0.383 -12.543 947 HA GLU 126 HA GLU 126 17.770 -1.943 -14.621 948 1HB GLU 126 2HB GLU 126 20.235 -2.250 -12.996 949 2HB GLU 126 1HB GLU 126 19.393 -3.744 -13.410 950 1HG GLU 126 2HG GLU 126 19.812 -1.708 -15.563 951 2HG GLU 126 1HG GLU 126 21.186 -2.696 -15.066 952 H HIS 127 H HIS 127 18.259 -2.084 -11.079 953 HA HIS 127 HA HIS 127 15.570 -3.075 -10.662 954 1HB HIS 127 2HB HIS 127 17.074 -5.082 -11.517 955 2HB HIS 127 1HB HIS 127 17.648 -5.078 -9.849 956 HD2 HIS 127 HD2 HIS 127 14.219 -4.069 -9.193 957 HE1 HIS 127 HE1 HIS 127 13.819 -8.236 -9.756 958 HE2 HIS 127 HE2 HIS 127 12.679 -6.150 -8.871 959 H HIS 128 H HIS 128 15.015 -2.330 -8.671 960 HA HIS 128 HA HIS 128 17.057 -1.255 -6.891 961 1HB HIS 128 2HB HIS 128 14.621 -0.407 -7.265 962 2HB HIS 128 1HB HIS 128 14.173 -1.674 -6.122 963 HD2 HIS 128 HD2 HIS 128 16.944 -1.181 -4.179 964 HE1 HIS 128 HE1 HIS 128 15.179 2.609 -3.587 965 HE2 HIS 128 HE2 HIS 128 16.893 0.964 -2.697 966 H HIS 129 H HIS 129 14.420 -3.554 -6.127 967 HA HIS 129 HA HIS 129 15.733 -4.638 -3.843 968 1HB HIS 129 2HB HIS 129 13.759 -6.119 -5.598 969 2HB HIS 129 1HB HIS 129 14.043 -6.344 -3.872 970 HD2 HIS 129 HD2 HIS 129 11.218 -4.978 -5.588 971 HE1 HIS 129 HE1 HIS 129 11.984 -1.927 -2.771 972 HE2 HIS 129 HE2 HIS 129 10.270 -2.864 -4.388 973 H HIS 130 H HIS 130 17.059 -6.463 -3.602 974 HA HIS 130 HA HIS 130 18.328 -7.414 -6.121 975 1HB HIS 130 2HB HIS 130 19.194 -7.457 -3.223 976 2HB HIS 130 1HB HIS 130 20.045 -8.363 -4.474 977 HD2 HIS 130 HD2 HIS 130 21.191 -6.653 -6.565 978 HE1 HIS 130 HE1 HIS 130 21.021 -3.161 -4.194 979 HE2 HIS 130 HE2 HIS 130 21.971 -4.176 -6.316 980 H HIS 131 H HIS 131 17.115 -9.132 -6.863 981 HA HIS 131 HA HIS 131 16.445 -11.276 -4.889 982 1HB HIS 131 2HB HIS 131 14.569 -10.135 -6.220 983 2HB HIS 131 1HB HIS 131 15.228 -10.954 -7.637 984 HD2 HIS 131 HD2 HIS 131 14.178 -12.254 -3.999 985 HE1 HIS 131 HE1 HIS 131 12.978 -15.070 -6.907 986 HE2 HIS 131 HE2 HIS 131 12.995 -14.538 -4.427 987 H HIS 132 HN HIS 132 16.235 -13.486 -6.293 988 HA HIS 132 HA HIS 132 18.669 -13.680 -8.014 989 1HB HIS 132 2HB HIS 132 18.952 -16.005 -6.908 990 2HB HIS 132 1HB HIS 132 19.438 -14.591 -5.970 991 HD2 HIS 132 HD2 HIS 132 15.604 -15.264 -6.154 992 HE1 HIS 132 HE1 HIS 132 16.918 -16.480 -2.329 993 HE2 HIS 132 HE2 HIS 132 14.879 -16.053 -3.776 Start of MODEL 8 1 1H MET 1 1H MET 1 -33.228 1.662 1.680 2 2H MET 1 2H MET 1 -34.372 0.443 1.988 3 3H MET 1 3H MET 1 -32.758 0.033 1.647 4 HA MET 1 HA MET 1 -32.822 1.810 3.836 5 1HB MET 1 2HB MET 1 -35.036 1.057 4.348 6 2HB MET 1 1HB MET 1 -34.629 -0.614 3.958 7 1HG MET 1 2HG MET 1 -33.128 -0.750 5.865 8 2HG MET 1 1HG MET 1 -33.360 0.963 6.213 9 1HE MET 1 1HE MET 1 -34.753 -0.847 9.109 10 2HE MET 1 2HE MET 1 -34.935 0.889 8.863 11 3HE MET 1 3HE MET 1 -33.462 0.081 8.333 12 H SER 2 H SER 2 -30.909 1.358 4.819 13 HA SER 2 HA SER 2 -29.923 -1.443 4.836 14 1HB SER 2 2HB SER 2 -29.011 0.052 2.856 15 2HB SER 2 1HB SER 2 -27.993 0.742 4.117 16 HG SER 2 HG SER 2 -27.168 -1.169 2.949 17 H HIS 3 H HIS 3 -27.272 0.104 5.619 18 HA HIS 3 HA HIS 3 -28.021 1.217 8.228 19 1HB HIS 3 2HB HIS 3 -26.355 -1.315 8.123 20 2HB HIS 3 1HB HIS 3 -26.853 -0.437 9.569 21 HD2 HIS 3 HD2 HIS 3 -28.184 -3.239 7.314 22 HE1 HIS 3 HE1 HIS 3 -31.477 -1.906 9.598 23 HE2 HIS 3 HE2 HIS 3 -30.646 -3.718 8.030 24 H GLN 4 H GLN 4 -24.966 -0.424 7.714 25 HA GLN 4 HA GLN 4 -23.698 2.241 7.214 26 1HB GLN 4 2HB GLN 4 -22.377 0.017 8.773 27 2HB GLN 4 1HB GLN 4 -21.936 1.724 8.715 28 1HG GLN 4 2HG GLN 4 -24.281 2.163 9.715 29 2HG GLN 4 1HG GLN 4 -24.286 0.442 10.106 30 1HE2 GLN 4 1HE2 GLN 4 -23.743 0.253 12.287 31 2HE2 GLN 4 2HE2 GLN 4 -22.474 1.085 13.048 32 H ASP 5 H ASP 5 -23.718 1.679 4.922 33 HA ASP 5 HA ASP 5 -22.373 -0.719 3.985 34 1HB ASP 5 2HB ASP 5 -23.967 0.178 2.481 35 2HB ASP 5 1HB ASP 5 -23.329 1.814 2.651 36 H ASP 6 H ASP 6 -20.476 -0.279 2.296 37 HA ASP 6 HA ASP 6 -18.333 0.987 3.863 38 1HB ASP 6 2HB ASP 6 -18.188 -0.360 1.148 39 2HB ASP 6 1HB ASP 6 -16.830 0.017 2.209 40 H TYR 7 H TYR 7 -18.014 3.148 3.646 41 HA TYR 7 HA TYR 7 -18.334 4.327 0.914 42 1HB TYR 7 2HB TYR 7 -20.143 5.208 2.196 43 2HB TYR 7 1HB TYR 7 -19.118 5.454 3.610 44 HD1 TYR 7 HD1 TYR 7 -17.751 7.409 3.840 45 HD2 TYR 7 HD2 TYR 7 -19.825 6.630 0.160 46 HE1 TYR 7 HE1 TYR 7 -17.207 9.697 3.050 47 HE2 TYR 7 HE2 TYR 7 -19.282 8.919 -0.631 48 HH TYR 7 HH TYR 7 -18.188 10.802 -0.194 49 H LEU 8 H LEU 8 -16.077 4.137 0.494 50 HA LEU 8 HA LEU 8 -13.980 4.861 2.245 51 1HB LEU 8 2HB LEU 8 -14.252 4.845 -0.754 52 2HB LEU 8 1HB LEU 8 -12.778 5.450 0.002 53 HG LEU 8 HG LEU 8 -13.907 2.797 0.850 54 1HD1 LEU 8 1HD1 LEU 8 -13.752 2.735 -1.625 55 2HD1 LEU 8 2HD1 LEU 8 -12.541 1.696 -0.874 56 3HD1 LEU 8 3HD1 LEU 8 -12.074 3.268 -1.523 57 1HD2 LEU 8 1HD2 LEU 8 -11.797 2.463 1.744 58 2HD2 LEU 8 2HD2 LEU 8 -11.884 4.221 1.848 59 3HD2 LEU 8 3HD2 LEU 8 -11.007 3.459 0.522 60 H SER 9 H SER 9 -12.488 6.890 1.317 61 HA SER 9 HA SER 9 -14.100 9.290 0.846 62 1HB SER 9 2HB SER 9 -13.205 8.526 3.544 63 2HB SER 9 1HB SER 9 -12.725 10.153 3.070 64 HG SER 9 HG SER 9 -14.715 10.552 3.698 65 H VAL 10 H VAL 10 -12.813 9.986 -0.826 66 HA VAL 10 HA VAL 10 -10.075 9.580 -1.200 67 HB VAL 10 HB VAL 10 -10.113 11.434 -2.734 68 1HG1 VAL 10 1HG1 VAL 10 -11.586 9.418 -3.213 69 2HG1 VAL 10 2HG1 VAL 10 -12.040 10.896 -4.062 70 3HG1 VAL 10 3HG1 VAL 10 -12.950 10.379 -2.642 71 1HG2 VAL 10 1HG2 VAL 10 -11.012 13.140 -1.227 72 2HG2 VAL 10 2HG2 VAL 10 -12.578 12.329 -1.203 73 3HG2 VAL 10 3HG2 VAL 10 -11.995 13.077 -2.690 74 H GLU 11 H GLU 11 -11.626 11.590 1.135 75 HA GLU 11 HA GLU 11 -9.554 13.515 1.570 76 1HB GLU 11 2HB GLU 11 -11.463 12.343 3.616 77 2HB GLU 11 1HB GLU 11 -10.601 13.877 3.745 78 1HG GLU 11 2HG GLU 11 -12.209 13.527 1.281 79 2HG GLU 11 1HG GLU 11 -13.133 13.661 2.777 80 H GLU 12 H GLU 12 -10.165 10.325 3.052 81 HA GLU 12 HA GLU 12 -7.765 10.449 4.691 82 1HB GLU 12 2HB GLU 12 -8.995 7.825 3.979 83 2HB GLU 12 1HB GLU 12 -8.456 8.424 5.548 84 1HG GLU 12 2HG GLU 12 -10.448 10.152 5.175 85 2HG GLU 12 1HG GLU 12 -11.063 8.852 4.152 86 H LEU 13 H LEU 13 -8.648 8.380 1.894 87 HA LEU 13 HA LEU 13 -6.194 7.182 1.408 88 1HB LEU 13 2HB LEU 13 -7.825 8.359 -0.847 89 2HB LEU 13 1HB LEU 13 -6.883 6.868 -0.845 90 HG LEU 13 HG LEU 13 -9.433 7.402 0.704 91 1HD1 LEU 13 1HD1 LEU 13 -9.221 6.698 -1.889 92 2HD1 LEU 13 2HD1 LEU 13 -10.505 6.086 -0.846 93 3HD1 LEU 13 3HD1 LEU 13 -9.074 5.102 -1.153 94 1HD2 LEU 13 1HD2 LEU 13 -7.493 5.075 0.745 95 2HD2 LEU 13 2HD2 LEU 13 -9.149 4.952 1.337 96 3HD2 LEU 13 3HD2 LEU 13 -8.016 6.062 2.109 97 H ILE 14 H ILE 14 -7.185 10.472 0.495 98 HA ILE 14 HA ILE 14 -4.805 11.125 -0.961 99 HB ILE 14 HB ILE 14 -6.877 12.786 0.479 100 1HG1 ILE 14 2HG1 ILE 14 -6.129 12.659 -2.454 101 2HG1 ILE 14 1HG1 ILE 14 -7.337 11.595 -1.732 102 1HG2 ILE 14 1HG2 ILE 14 -5.544 14.579 -1.082 103 2HG2 ILE 14 2HG2 ILE 14 -4.207 13.566 -0.538 104 3HG2 ILE 14 3HG2 ILE 14 -5.241 14.370 0.643 105 1HD1 ILE 14 1HD1 ILE 14 -7.572 14.397 -2.501 106 2HD1 ILE 14 2HD1 ILE 14 -8.036 14.141 -0.819 107 3HD1 ILE 14 3HD1 ILE 14 -8.841 13.238 -2.103 108 H GLU 15 H GLU 15 -5.701 12.392 2.267 109 HA GLU 15 HA GLU 15 -3.336 13.424 3.135 110 1HB GLU 15 2HB GLU 15 -5.270 11.651 4.632 111 2HB GLU 15 1HB GLU 15 -3.877 12.379 5.433 112 1HG GLU 15 2HG GLU 15 -5.382 14.284 3.786 113 2HG GLU 15 1HG GLU 15 -6.337 13.596 5.100 114 H ILE 16 H ILE 16 -4.064 9.939 2.999 115 HA ILE 16 HA ILE 16 -1.537 9.103 4.095 116 HB ILE 16 HB ILE 16 -3.468 7.648 2.262 117 1HG1 ILE 16 2HG1 ILE 16 -3.106 7.121 5.195 118 2HG1 ILE 16 1HG1 ILE 16 -4.085 8.499 4.693 119 1HG2 ILE 16 1HG2 ILE 16 -2.319 5.607 3.167 120 2HG2 ILE 16 2HG2 ILE 16 -1.117 6.665 3.909 121 3HG2 ILE 16 3HG2 ILE 16 -1.274 6.604 2.154 122 1HD1 ILE 16 1HD1 ILE 16 -5.293 6.235 5.026 123 2HD1 ILE 16 2HD1 ILE 16 -4.526 5.759 3.512 124 3HD1 ILE 16 3HD1 ILE 16 -5.634 7.132 3.546 125 H GLN 17 H GLN 17 -2.684 8.915 0.697 126 HA GLN 17 HA GLN 17 -0.272 8.281 -0.534 127 1HB GLN 17 2HB GLN 17 -2.431 10.187 -1.485 128 2HB GLN 17 1HB GLN 17 -1.122 9.600 -2.510 129 1HG GLN 17 2HG GLN 17 -3.162 7.869 -1.083 130 2HG GLN 17 1HG GLN 17 -3.135 8.218 -2.812 131 1HE2 GLN 17 1HE2 GLN 17 -0.621 7.819 -3.663 132 2HE2 GLN 17 2HE2 GLN 17 -0.030 6.282 -3.250 133 H LYS 18 H LYS 18 -1.336 11.442 0.657 134 HA LYS 18 HA LYS 18 0.787 13.004 -0.435 135 1HB LYS 18 2HB LYS 18 -1.140 13.283 1.821 136 2HB LYS 18 1HB LYS 18 0.295 14.305 1.874 137 1HG LYS 18 2HG LYS 18 -0.225 14.978 -0.517 138 2HG LYS 18 1HG LYS 18 -1.773 14.150 -0.333 139 1HD LYS 18 2HD LYS 18 -2.211 15.583 1.694 140 2HD LYS 18 1HD LYS 18 -0.757 16.496 1.294 141 1HE LYS 18 2HE LYS 18 -2.986 17.433 0.418 142 2HE LYS 18 1HE LYS 18 -1.676 17.276 -0.752 143 1HZ LYS 18 1HZ LYS 18 -3.877 16.404 -1.499 144 2HZ LYS 18 2HZ LYS 18 -3.736 15.187 -0.322 145 3HZ LYS 18 3HZ LYS 18 -2.606 15.284 -1.587 146 H GLU 19 H GLU 19 0.487 11.839 2.940 147 HA GLU 19 HA GLU 19 3.102 12.367 3.774 148 1HB GLU 19 2HB GLU 19 0.993 11.231 4.976 149 2HB GLU 19 1HB GLU 19 1.910 9.766 4.623 150 1HG GLU 19 2HG GLU 19 3.929 11.135 5.609 151 2HG GLU 19 1HG GLU 19 2.656 12.091 6.371 152 H GLU 20 H GLU 20 1.967 9.181 2.573 153 HA GLU 20 HA GLU 20 4.413 7.884 2.365 154 1HB GLU 20 2HB GLU 20 2.577 6.566 1.748 155 2HB GLU 20 1HB GLU 20 1.938 7.796 0.657 156 1HG GLU 20 2HG GLU 20 3.690 7.383 -0.951 157 2HG GLU 20 1HG GLU 20 4.541 6.324 0.173 158 H THR 21 H THR 21 2.921 9.585 -0.414 159 HA THR 21 HA THR 21 4.995 9.625 -2.199 160 HB THR 21 HB THR 21 3.396 12.098 -1.472 161 HG1 THR 21 HG1 THR 21 2.695 10.335 -3.518 162 1HG2 THR 21 1HG2 THR 21 3.783 12.763 -3.763 163 2HG2 THR 21 2HG2 THR 21 4.567 11.225 -4.124 164 3HG2 THR 21 3HG2 THR 21 5.345 12.377 -3.040 165 H ARG 22 H ARG 22 4.611 12.320 0.137 166 HA ARG 22 HA ARG 22 7.065 13.552 -0.179 167 1HB ARG 22 2HB ARG 22 5.181 13.234 2.071 168 2HB ARG 22 1HB ARG 22 6.833 13.621 2.554 169 1HG ARG 22 2HG ARG 22 6.850 15.637 1.322 170 2HG ARG 22 1HG ARG 22 5.458 15.156 0.353 171 1HD ARG 22 2HD ARG 22 5.489 15.963 3.267 172 2HD ARG 22 1HD ARG 22 4.636 16.748 1.939 173 HE ARG 22 HE ARG 22 3.587 14.186 1.973 174 1HH1 ARG 22 1HH2 ARG 22 4.057 16.730 4.252 175 2HH1 ARG 22 2HH2 ARG 22 2.668 16.315 5.201 176 1HH2 ARG 22 2HH1 ARG 22 1.773 13.629 3.197 177 2HH2 ARG 22 1HH1 ARG 22 1.374 14.559 4.603 178 H ASP 23 H ASP 23 6.405 10.530 1.529 179 HA ASP 23 HA ASP 23 8.944 10.196 2.770 180 1HB ASP 23 2HB ASP 23 6.675 8.762 2.813 181 2HB ASP 23 1HB ASP 23 7.575 7.798 1.642 182 H ILE 24 H ILE 24 7.783 9.105 -0.432 183 HA ILE 24 HA ILE 24 10.298 7.955 -1.219 184 HB ILE 24 HB ILE 24 8.048 9.054 -2.936 185 1HG1 ILE 24 2HG1 ILE 24 8.583 6.159 -2.278 186 2HG1 ILE 24 1HG1 ILE 24 7.612 7.161 -1.200 187 1HG2 ILE 24 1HG2 ILE 24 10.654 7.953 -3.571 188 2HG2 ILE 24 2HG2 ILE 24 9.433 8.616 -4.659 189 3HG2 ILE 24 3HG2 ILE 24 9.375 6.914 -4.199 190 1HD1 ILE 24 1HD1 ILE 24 6.385 5.824 -3.061 191 2HD1 ILE 24 2HD1 ILE 24 7.015 7.058 -4.152 192 3HD1 ILE 24 3HD1 ILE 24 5.947 7.517 -2.825 193 H ILE 25 H ILE 25 8.762 11.017 -2.298 194 HA ILE 25 HA ILE 25 10.805 12.140 -3.757 195 HB ILE 25 HB ILE 25 9.450 13.783 -1.618 196 1HG1 ILE 25 2HG1 ILE 25 7.646 12.455 -2.442 197 2HG1 ILE 25 1HG1 ILE 25 7.560 13.969 -3.342 198 1HG2 ILE 25 1HG2 ILE 25 9.399 14.849 -4.288 199 2HG2 ILE 25 2HG2 ILE 25 11.039 14.327 -3.910 200 3HG2 ILE 25 3HG2 ILE 25 10.221 15.488 -2.866 201 1HD1 ILE 25 1HD1 ILE 25 8.636 11.306 -4.279 202 2HD1 ILE 25 2HD1 ILE 25 9.004 12.813 -5.120 203 3HD1 ILE 25 3HD1 ILE 25 7.334 12.263 -4.985 204 H GLN 26 H GLN 26 10.556 12.314 -0.190 205 HA GLN 26 HA GLN 26 12.956 13.687 0.319 206 1HB GLN 26 2HB GLN 26 11.457 11.572 1.859 207 2HB GLN 26 1HB GLN 26 12.966 12.240 2.478 208 1HG GLN 26 2HG GLN 26 10.832 14.121 1.530 209 2HG GLN 26 1HG GLN 26 10.661 13.364 3.114 210 1HE2 GLN 26 1HE2 GLN 26 13.224 13.318 4.122 211 2HE2 GLN 26 2HE2 GLN 26 13.865 14.886 4.216 212 H ALA 27 H ALA 27 12.480 10.147 0.081 213 HA ALA 27 HA ALA 27 15.213 9.435 0.413 214 1HB ALA 27 1HB ALA 27 14.573 7.293 -0.218 215 2HB ALA 27 2HB ALA 27 13.462 7.878 -1.456 216 3HB ALA 27 3HB ALA 27 13.012 7.970 0.247 217 H LEU 28 H LEU 28 13.466 9.328 -2.714 218 HA LEU 28 HA LEU 28 15.543 9.138 -4.473 219 1HB LEU 28 2HB LEU 28 12.895 10.278 -4.576 220 2HB LEU 28 1HB LEU 28 14.000 11.273 -5.525 221 HG LEU 28 HG LEU 28 14.825 9.149 -6.622 222 1HD1 LEU 28 1HD1 LEU 28 12.478 8.040 -5.062 223 2HD1 LEU 28 2HD1 LEU 28 14.155 7.495 -5.018 224 3HD1 LEU 28 3HD1 LEU 28 13.176 7.220 -6.459 225 1HD2 LEU 28 1HD2 LEU 28 11.933 9.151 -7.212 226 2HD2 LEU 28 2HD2 LEU 28 13.298 9.480 -8.279 227 3HD2 LEU 28 3HD2 LEU 28 12.677 10.750 -7.224 228 H LEU 29 H LEU 29 14.690 12.035 -2.625 229 HA LEU 29 HA LEU 29 16.633 13.744 -3.922 230 1HB LEU 29 2HB LEU 29 14.714 13.939 -1.725 231 2HB LEU 29 1HB LEU 29 16.224 14.776 -1.363 232 HG LEU 29 HG LEU 29 16.018 15.825 -3.699 233 1HD1 LEU 29 1HD1 LEU 29 14.343 14.310 -4.619 234 2HD1 LEU 29 2HD1 LEU 29 13.664 15.936 -4.541 235 3HD1 LEU 29 3HD1 LEU 29 13.211 14.731 -3.335 236 1HD2 LEU 29 1HD2 LEU 29 13.946 17.263 -2.725 237 2HD2 LEU 29 2HD2 LEU 29 15.586 17.409 -2.093 238 3HD2 LEU 29 3HD2 LEU 29 14.408 16.394 -1.262 239 H GLU 30 H GLU 30 16.621 11.930 -0.843 240 HA GLU 30 HA GLU 30 19.256 12.693 -0.037 241 1HB GLU 30 2HB GLU 30 17.273 11.298 1.152 242 2HB GLU 30 1HB GLU 30 18.305 9.959 0.649 243 1HG GLU 30 2HG GLU 30 20.250 11.251 1.693 244 2HG GLU 30 1HG GLU 30 19.031 12.293 2.428 245 H ASP 31 H ASP 31 18.064 10.181 -2.201 246 HA ASP 31 HA ASP 31 20.493 8.674 -2.402 247 1HB ASP 31 2HB ASP 31 18.648 8.993 -4.748 248 2HB ASP 31 1HB ASP 31 19.454 7.541 -4.153 249 H GLY 32 H GLY 32 19.399 11.651 -3.914 250 1HA GLY 32 2HA GLY 32 21.144 13.229 -4.686 251 2HA GLY 32 1HA GLY 32 22.063 11.836 -5.257 252 H SER 33 H SER 33 18.636 11.816 -5.749 253 HA SER 33 HA SER 33 18.798 11.419 -8.540 254 1HB SER 33 2HB SER 33 16.609 12.302 -6.687 255 2HB SER 33 1HB SER 33 16.339 12.358 -8.426 256 HG SER 33 HG SER 33 17.449 10.062 -7.244 257 H ASP 34 H ASP 34 17.245 13.191 -9.888 258 HA ASP 34 HA ASP 34 18.361 15.902 -9.422 259 1HB ASP 34 2HB ASP 34 18.849 15.978 -11.958 260 2HB ASP 34 1HB ASP 34 19.988 15.092 -10.943 261 HA PRO 35 HA PRO 35 13.814 15.976 -10.270 262 1HB PRO 35 2HB PRO 35 14.349 18.697 -9.166 263 2HB PRO 35 1HB PRO 35 13.058 17.548 -8.761 264 1HG PRO 35 2HG PRO 35 15.133 17.944 -7.137 265 2HG PRO 35 1HG PRO 35 14.388 16.349 -7.329 266 1HD PRO 35 2HD PRO 35 16.995 17.347 -8.384 267 2HD PRO 35 1HD PRO 35 16.523 15.700 -7.911 268 H ASP 36 H ASP 36 16.311 18.381 -11.059 269 HA ASP 36 HA ASP 36 14.700 19.777 -13.018 270 1HB ASP 36 2HB ASP 36 16.705 20.772 -11.906 271 2HB ASP 36 1HB ASP 36 17.722 19.641 -12.799 272 H ALA 37 H ALA 37 15.430 16.679 -13.106 273 HA ALA 37 HA ALA 37 16.253 16.668 -15.980 274 1HB ALA 37 1HB ALA 37 17.581 15.370 -14.159 275 2HB ALA 37 2HB ALA 37 17.173 14.524 -15.653 276 3HB ALA 37 3HB ALA 37 16.226 14.242 -14.191 277 H LEU 38 H LEU 38 13.489 16.879 -14.463 278 HA LEU 38 HA LEU 38 11.297 16.230 -15.002 279 1HB LEU 38 2HB LEU 38 12.733 16.114 -17.398 280 2HB LEU 38 1HB LEU 38 11.922 14.551 -17.302 281 HG LEU 38 HG LEU 38 9.830 15.986 -16.621 282 1HD1 LEU 38 1HD1 LEU 38 11.248 18.088 -16.499 283 2HD1 LEU 38 2HD1 LEU 38 9.805 18.223 -17.506 284 3HD1 LEU 38 3HD1 LEU 38 11.387 18.006 -18.255 285 1HD2 LEU 38 1HD2 LEU 38 9.826 14.694 -18.642 286 2HD2 LEU 38 2HD2 LEU 38 11.002 15.765 -19.406 287 3HD2 LEU 38 3HD2 LEU 38 9.358 16.330 -19.107 288 H TYR 39 H TYR 39 9.979 14.466 -14.460 289 HA TYR 39 HA TYR 39 11.353 11.834 -14.128 290 1HB TYR 39 2HB TYR 39 10.255 13.568 -12.071 291 2HB TYR 39 1HB TYR 39 9.431 12.010 -12.083 292 HD1 TYR 39 HD1 TYR 39 12.613 13.744 -11.519 293 HD2 TYR 39 HD2 TYR 39 10.679 9.913 -11.722 294 HE1 TYR 39 HE1 TYR 39 14.565 12.698 -10.402 295 HE2 TYR 39 HE2 TYR 39 12.631 8.869 -10.605 296 HH TYR 39 HH TYR 39 15.500 10.016 -10.467 297 H GLU 40 H GLU 40 9.954 10.006 -14.350 298 HA GLU 40 HA GLU 40 7.393 10.651 -15.740 299 1HB GLU 40 2HB GLU 40 8.652 7.922 -15.741 300 2HB GLU 40 1HB GLU 40 7.650 8.685 -16.976 301 1HG GLU 40 2HG GLU 40 9.641 9.049 -18.024 302 2HG GLU 40 1HG GLU 40 9.767 10.404 -16.904 303 H ILE 41 H ILE 41 5.582 10.348 -14.538 304 HA ILE 41 HA ILE 41 5.742 8.674 -12.101 305 HB ILE 41 HB ILE 41 3.284 10.166 -12.982 306 1HG1 ILE 41 2HG1 ILE 41 5.053 11.795 -13.289 307 2HG1 ILE 41 1HG1 ILE 41 4.228 12.166 -11.775 308 1HG2 ILE 41 1HG2 ILE 41 3.306 10.563 -10.421 309 2HG2 ILE 41 2HG2 ILE 41 4.548 9.311 -10.379 310 3HG2 ILE 41 3HG2 ILE 41 2.939 8.937 -10.996 311 1HD1 ILE 41 1HD1 ILE 41 6.810 10.593 -12.032 312 2HD1 ILE 41 2HD1 ILE 41 5.982 10.967 -10.521 313 3HD1 ILE 41 3HD1 ILE 41 6.678 12.265 -11.489 314 H GLU 42 H GLU 42 4.639 6.742 -11.880 315 HA GLU 42 HA GLU 42 3.118 5.813 -14.283 316 1HB GLU 42 2HB GLU 42 5.292 4.630 -12.877 317 2HB GLU 42 1HB GLU 42 3.866 3.643 -12.554 318 1HG GLU 42 2HG GLU 42 4.785 2.756 -14.560 319 2HG GLU 42 1HG GLU 42 3.421 3.746 -15.080 320 H HIS 43 H HIS 43 1.029 5.091 -13.968 321 HA HIS 43 HA HIS 43 0.082 4.868 -11.140 322 1HB HIS 43 2HB HIS 43 -1.570 6.033 -13.391 323 2HB HIS 43 1HB HIS 43 -1.920 6.069 -11.664 324 HD2 HIS 43 HD2 HIS 43 0.478 7.877 -14.227 325 HE1 HIS 43 HE1 HIS 43 0.636 9.955 -10.554 326 HE2 HIS 43 HE2 HIS 43 1.374 9.985 -12.981 327 H HIS 44 H HIS 44 -0.893 2.936 -10.769 328 HA HIS 44 HA HIS 44 -1.743 1.335 -13.141 329 1HB HIS 44 2HB HIS 44 -1.234 0.360 -10.316 330 2HB HIS 44 1HB HIS 44 -1.445 -0.628 -11.763 331 HD2 HIS 44 HD2 HIS 44 0.709 0.149 -13.809 332 HE1 HIS 44 HE1 HIS 44 3.482 0.796 -10.692 333 HE2 HIS 44 HE2 HIS 44 3.224 0.455 -13.192 334 H LEU 45 H LEU 45 -3.908 1.474 -13.490 335 HA LEU 45 HA LEU 45 -5.692 1.580 -11.089 336 1HB LEU 45 2HB LEU 45 -6.025 2.816 -13.834 337 2HB LEU 45 1HB LEU 45 -7.337 2.700 -12.660 338 HG LEU 45 HG LEU 45 -5.188 3.747 -11.204 339 1HD1 LEU 45 1HD1 LEU 45 -5.441 5.177 -13.868 340 2HD1 LEU 45 2HD1 LEU 45 -4.069 4.169 -13.404 341 3HD1 LEU 45 3HD1 LEU 45 -4.416 5.651 -12.513 342 1HD2 LEU 45 1HD2 LEU 45 -7.494 4.409 -10.881 343 2HD2 LEU 45 2HD2 LEU 45 -7.588 5.057 -12.519 344 3HD2 LEU 45 3HD2 LEU 45 -6.579 5.855 -11.312 345 H PHE 46 H PHE 46 -7.566 0.255 -11.150 346 HA PHE 46 HA PHE 46 -7.745 -1.643 -13.446 347 1HB PHE 46 2HB PHE 46 -8.486 -2.937 -10.975 348 2HB PHE 46 1HB PHE 46 -7.250 -3.410 -12.141 349 HD1 PHE 46 HD1 PHE 46 -7.798 -2.347 -8.825 350 HD2 PHE 46 HD2 PHE 46 -5.059 -1.891 -12.104 351 HE1 PHE 46 HE1 PHE 46 -6.025 -1.633 -7.245 352 HE2 PHE 46 HE2 PHE 46 -3.287 -1.176 -10.523 353 HZ PHE 46 HZ PHE 46 -3.769 -1.048 -8.095 354 H ALA 47 H ALA 47 -9.902 -2.666 -13.606 355 HA ALA 47 HA ALA 47 -12.042 -1.278 -12.080 356 1HB ALA 47 1HB ALA 47 -11.483 -0.170 -14.384 357 2HB ALA 47 2HB ALA 47 -13.170 -0.481 -13.976 358 3HB ALA 47 3HB ALA 47 -12.310 -1.571 -15.063 359 H GLU 48 H GLU 48 -14.145 -2.408 -12.302 360 HA GLU 48 HA GLU 48 -13.712 -5.326 -12.667 361 1HB GLU 48 2HB GLU 48 -14.964 -3.934 -10.661 362 2HB GLU 48 1HB GLU 48 -16.332 -4.385 -11.681 363 1HG GLU 48 2HG GLU 48 -15.924 -6.142 -10.025 364 2HG GLU 48 1HG GLU 48 -15.552 -6.747 -11.641 365 H ASP 49 H ASP 49 -15.040 -2.647 -14.283 366 HA ASP 49 HA ASP 49 -16.706 -4.461 -15.983 367 1HB ASP 49 2HB ASP 49 -17.199 -1.772 -14.873 368 2HB ASP 49 1HB ASP 49 -17.577 -1.929 -16.589 369 H PHE 50 H PHE 50 -15.911 -4.736 -18.008 370 HA PHE 50 HA PHE 50 -13.539 -3.472 -18.942 371 1HB PHE 50 2HB PHE 50 -15.395 -4.387 -21.041 372 2HB PHE 50 1HB PHE 50 -13.740 -4.898 -20.701 373 HD1 PHE 50 HD1 PHE 50 -16.575 -6.437 -21.196 374 HD2 PHE 50 HD2 PHE 50 -13.993 -5.705 -17.844 375 HE1 PHE 50 HE1 PHE 50 -17.431 -8.485 -20.090 376 HE2 PHE 50 HE2 PHE 50 -14.849 -7.752 -16.737 377 HZ PHE 50 HZ PHE 50 -16.568 -9.142 -17.860 378 H ASP 51 H ASP 51 -16.912 -2.568 -19.181 379 HA ASP 51 HA ASP 51 -16.526 -0.566 -21.250 380 1HB ASP 51 2HB ASP 51 -18.787 0.265 -20.093 381 2HB ASP 51 1HB ASP 51 -18.759 -1.154 -21.140 382 H LYS 52 H LYS 52 -16.821 -0.474 -17.697 383 HA LYS 52 HA LYS 52 -16.498 2.367 -17.458 384 1HB LYS 52 2HB LYS 52 -17.215 0.522 -15.695 385 2HB LYS 52 1HB LYS 52 -15.488 0.498 -15.340 386 1HG LYS 52 2HG LYS 52 -15.971 2.236 -13.956 387 2HG LYS 52 1HG LYS 52 -15.975 3.191 -15.439 388 1HD LYS 52 2HD LYS 52 -18.033 3.601 -14.160 389 2HD LYS 52 1HD LYS 52 -18.408 2.788 -15.679 390 1HE LYS 52 2HE LYS 52 -17.832 0.889 -13.540 391 2HE LYS 52 1HE LYS 52 -19.186 1.944 -13.139 392 1HZ LYS 52 1HZ LYS 52 -19.454 1.192 -15.810 393 2HZ LYS 52 2HZ LYS 52 -20.447 0.766 -14.499 394 3HZ LYS 52 3HZ LYS 52 -19.130 -0.219 -14.926 395 H LEU 53 H LEU 53 -14.305 -0.200 -18.135 396 HA LEU 53 HA LEU 53 -11.895 1.134 -17.209 397 1HB LEU 53 2HB LEU 53 -12.185 -1.370 -17.590 398 2HB LEU 53 1HB LEU 53 -12.095 -1.030 -19.318 399 HG LEU 53 HG LEU 53 -9.965 0.079 -17.527 400 1HD1 LEU 53 1HD1 LEU 53 -10.279 -2.804 -18.378 401 2HD1 LEU 53 2HD1 LEU 53 -9.931 -2.174 -16.768 402 3HD1 LEU 53 3HD1 LEU 53 -8.699 -2.106 -18.028 403 1HD2 LEU 53 1HD2 LEU 53 -8.632 -0.520 -19.634 404 2HD2 LEU 53 2HD2 LEU 53 -9.846 0.745 -19.821 405 3HD2 LEU 53 3HD2 LEU 53 -10.183 -0.890 -20.387 406 H GLU 54 H GLU 54 -13.268 0.533 -20.467 407 HA GLU 54 HA GLU 54 -11.367 2.137 -21.867 408 1HB GLU 54 2HB GLU 54 -14.236 1.417 -22.537 409 2HB GLU 54 1HB GLU 54 -13.135 2.214 -23.661 410 1HG GLU 54 2HG GLU 54 -11.537 0.203 -23.025 411 2HG GLU 54 1HG GLU 54 -13.056 -0.586 -22.599 412 H LYS 55 H LYS 55 -14.437 2.940 -20.298 413 HA LYS 55 HA LYS 55 -14.654 5.609 -21.309 414 1HB LYS 55 2HB LYS 55 -15.686 4.278 -18.797 415 2HB LYS 55 1HB LYS 55 -16.045 5.961 -19.188 416 1HG LYS 55 2HG LYS 55 -17.116 5.321 -21.260 417 2HG LYS 55 1HG LYS 55 -16.605 3.645 -21.060 418 1HD LYS 55 2HD LYS 55 -17.989 3.429 -19.052 419 2HD LYS 55 1HD LYS 55 -18.459 5.126 -19.172 420 1HE LYS 55 2HE LYS 55 -19.082 2.934 -21.171 421 2HE LYS 55 1HE LYS 55 -20.233 3.762 -20.122 422 1HZ LYS 55 1HZ LYS 55 -19.028 5.810 -21.377 423 2HZ LYS 55 2HZ LYS 55 -20.497 5.111 -21.866 424 3HZ LYS 55 3HZ LYS 55 -19.040 4.634 -22.600 425 H ALA 56 H ALA 56 -13.649 4.636 -18.005 426 HA ALA 56 HA ALA 56 -12.569 7.145 -17.280 427 1HB ALA 56 1HB ALA 56 -12.475 5.945 -15.370 428 2HB ALA 56 2HB ALA 56 -10.968 5.260 -15.977 429 3HB ALA 56 3HB ALA 56 -12.493 4.419 -16.254 430 H ALA 57 H ALA 57 -10.852 4.300 -18.622 431 HA ALA 57 HA ALA 57 -8.271 5.415 -18.731 432 1HB ALA 57 1HB ALA 57 -7.890 3.852 -20.658 433 2HB ALA 57 2HB ALA 57 -9.621 3.513 -20.671 434 3HB ALA 57 3HB ALA 57 -8.646 3.073 -19.268 435 H VAL 58 H VAL 58 -10.878 5.623 -21.164 436 HA VAL 58 HA VAL 58 -9.501 7.056 -23.150 437 HB VAL 58 HB VAL 58 -12.357 6.902 -22.279 438 1HG1 VAL 58 1HG1 VAL 58 -11.185 9.017 -24.089 439 2HG1 VAL 58 2HG1 VAL 58 -12.316 9.227 -22.751 440 3HG1 VAL 58 3HG1 VAL 58 -12.857 8.481 -24.255 441 1HG2 VAL 58 1HG2 VAL 58 -10.840 6.439 -24.865 442 2HG2 VAL 58 2HG2 VAL 58 -12.582 6.223 -24.686 443 3HG2 VAL 58 3HG2 VAL 58 -11.468 5.202 -23.775 444 H GLU 59 H GLU 59 -11.594 8.559 -20.651 445 HA GLU 59 HA GLU 59 -10.862 11.222 -21.091 446 1HB GLU 59 2HB GLU 59 -12.359 9.876 -19.184 447 2HB GLU 59 1HB GLU 59 -11.052 10.589 -18.235 448 1HG GLU 59 2HG GLU 59 -11.529 12.793 -19.321 449 2HG GLU 59 1HG GLU 59 -12.914 12.054 -20.128 450 H ALA 60 H ALA 60 -8.987 8.669 -19.629 451 HA ALA 60 HA ALA 60 -7.077 10.387 -18.295 452 1HB ALA 60 1HB ALA 60 -7.568 7.759 -18.117 453 2HB ALA 60 2HB ALA 60 -5.993 8.440 -17.708 454 3HB ALA 60 3HB ALA 60 -6.250 7.697 -19.286 455 H PHE 61 H PHE 61 -7.002 8.617 -21.405 456 HA PHE 61 HA PHE 61 -4.443 9.606 -22.217 457 1HB PHE 61 2HB PHE 61 -5.236 7.746 -23.433 458 2HB PHE 61 1HB PHE 61 -6.813 8.486 -23.707 459 HD1 PHE 61 HD1 PHE 61 -6.905 10.617 -25.153 460 HD2 PHE 61 HD2 PHE 61 -3.505 7.996 -25.013 461 HE1 PHE 61 HE1 PHE 61 -6.091 11.559 -27.298 462 HE2 PHE 61 HE2 PHE 61 -2.691 8.937 -27.157 463 HZ PHE 61 HZ PHE 61 -3.984 10.718 -28.301 464 H LYS 62 H LYS 62 -7.701 10.933 -22.480 465 HA LYS 62 HA LYS 62 -7.023 13.031 -24.342 466 1HB LYS 62 2HB LYS 62 -9.362 12.218 -23.807 467 2HB LYS 62 1HB LYS 62 -9.235 13.078 -22.272 468 1HG LYS 62 2HG LYS 62 -8.848 15.192 -23.465 469 2HG LYS 62 1HG LYS 62 -8.924 14.345 -25.010 470 1HD LYS 62 2HD LYS 62 -11.130 14.896 -24.952 471 2HD LYS 62 1HD LYS 62 -11.264 13.533 -23.842 472 1HE LYS 62 2HE LYS 62 -10.674 16.369 -22.953 473 2HE LYS 62 1HE LYS 62 -12.292 15.667 -22.976 474 1HZ LYS 62 1HZ LYS 62 -11.132 13.786 -21.634 475 2HZ LYS 62 2HZ LYS 62 -11.628 15.209 -20.850 476 3HZ LYS 62 3HZ LYS 62 -9.997 14.993 -21.273 477 H MET 63 H MET 63 -6.911 12.743 -20.823 478 HA MET 63 HA MET 63 -6.423 15.558 -20.345 479 1HB MET 63 2HB MET 63 -6.464 13.069 -18.763 480 2HB MET 63 1HB MET 63 -5.319 14.278 -18.183 481 1HG MET 63 2HG MET 63 -7.164 15.977 -18.258 482 2HG MET 63 1HG MET 63 -8.285 14.677 -18.664 483 1HE MET 63 1HE MET 63 -8.766 12.605 -15.639 484 2HE MET 63 2HE MET 63 -8.012 12.302 -17.203 485 3HE MET 63 3HE MET 63 -9.464 13.295 -17.111 486 H GLY 64 H GLY 64 -4.287 12.694 -20.524 487 1HA GLY 64 2HA GLY 64 -2.176 13.530 -21.931 488 2HA GLY 64 1HA GLY 64 -1.926 14.483 -20.468 489 H PHE 65 H PHE 65 -3.428 11.457 -19.925 490 HA PHE 65 HA PHE 65 -0.907 10.463 -18.706 491 1HB PHE 65 2HB PHE 65 -3.807 9.643 -18.395 492 2HB PHE 65 1HB PHE 65 -2.471 8.755 -17.661 493 HD1 PHE 65 HD1 PHE 65 -1.316 9.595 -15.735 494 HD2 PHE 65 HD2 PHE 65 -4.220 12.028 -17.759 495 HE1 PHE 65 HE1 PHE 65 -1.272 11.212 -13.855 496 HE2 PHE 65 HE2 PHE 65 -4.175 13.644 -15.878 497 HZ PHE 65 HZ PHE 65 -2.701 13.237 -13.926 498 H GLU 66 H GLU 66 0.293 9.207 -20.054 499 HA GLU 66 HA GLU 66 -0.667 7.950 -22.417 500 1HB GLU 66 2HB GLU 66 1.795 7.796 -20.761 501 2HB GLU 66 1HB GLU 66 1.481 6.416 -21.814 502 1HG GLU 66 2HG GLU 66 1.103 9.107 -23.019 503 2HG GLU 66 1HG GLU 66 2.764 8.632 -22.667 504 H VAL 67 H VAL 67 -2.634 6.880 -21.724 505 HA VAL 67 HA VAL 67 -2.724 4.853 -19.711 506 HB VAL 67 HB VAL 67 -4.676 6.028 -20.919 507 1HG1 VAL 67 1HG1 VAL 67 -3.769 5.371 -23.200 508 2HG1 VAL 67 2HG1 VAL 67 -5.479 5.026 -22.947 509 3HG1 VAL 67 3HG1 VAL 67 -4.292 3.725 -22.845 510 1HG2 VAL 67 1HG2 VAL 67 -4.422 3.450 -19.705 511 2HG2 VAL 67 2HG2 VAL 67 -5.579 3.310 -21.029 512 3HG2 VAL 67 3HG2 VAL 67 -5.843 4.494 -19.750 513 H LEU 68 H LEU 68 -2.230 2.678 -19.790 514 HA LEU 68 HA LEU 68 -1.121 1.662 -22.377 515 1HB LEU 68 2HB LEU 68 0.292 1.911 -20.103 516 2HB LEU 68 1HB LEU 68 -0.424 0.326 -19.805 517 HG LEU 68 HG LEU 68 0.350 0.001 -22.378 518 1HD1 LEU 68 1HD1 LEU 68 2.257 1.983 -21.110 519 2HD1 LEU 68 2HD1 LEU 68 1.392 2.153 -22.637 520 3HD1 LEU 68 3HD1 LEU 68 2.693 0.972 -22.488 521 1HD2 LEU 68 1HD2 LEU 68 2.413 -1.086 -21.410 522 2HD2 LEU 68 2HD2 LEU 68 0.915 -1.539 -20.595 523 3HD2 LEU 68 3HD2 LEU 68 1.999 -0.359 -19.858 524 H GLU 69 H GLU 69 -1.908 -0.297 -23.135 525 HA GLU 69 HA GLU 69 -4.470 -1.179 -22.495 526 1HB GLU 69 2HB GLU 69 -3.542 -2.057 -24.481 527 2HB GLU 69 1HB GLU 69 -2.094 -2.631 -23.653 528 1HG GLU 69 2HG GLU 69 -3.711 -4.465 -24.237 529 2HG GLU 69 1HG GLU 69 -3.358 -4.357 -22.511 530 H ALA 70 H ALA 70 -5.286 -2.899 -21.180 531 HA ALA 70 HA ALA 70 -3.561 -3.465 -18.818 532 1HB ALA 70 1HB ALA 70 -5.672 -2.433 -18.244 533 2HB ALA 70 2HB ALA 70 -5.746 -4.122 -17.745 534 3HB ALA 70 3HB ALA 70 -6.562 -3.601 -19.219 535 H GLU 71 H GLU 71 -3.768 -5.681 -17.874 536 HA GLU 71 HA GLU 71 -4.281 -7.737 -19.986 537 1HB GLU 71 2HB GLU 71 -1.852 -7.444 -19.602 538 2HB GLU 71 1HB GLU 71 -2.092 -7.763 -17.884 539 1HG GLU 71 2HG GLU 71 -1.731 -9.936 -18.404 540 2HG GLU 71 1HG GLU 71 -3.360 -9.909 -19.082 541 H GLU 72 H GLU 72 -5.446 -9.528 -19.301 542 HA GLU 72 HA GLU 72 -7.042 -9.325 -16.951 543 1HB GLU 72 2HB GLU 72 -6.949 -12.046 -17.585 544 2HB GLU 72 1HB GLU 72 -8.116 -10.872 -18.194 545 1HG GLU 72 2HG GLU 72 -5.411 -11.287 -19.483 546 2HG GLU 72 1HG GLU 72 -6.841 -12.197 -19.969 547 H THR 73 H THR 73 -6.443 -9.638 -14.869 548 HA THR 73 HA THR 73 -4.226 -11.570 -14.320 549 HB THR 73 HB THR 73 -3.421 -9.260 -14.007 550 HG1 THR 73 HG1 THR 73 -2.515 -9.738 -12.143 551 1HG2 THR 73 1HG2 THR 73 -6.033 -8.784 -13.158 552 2HG2 THR 73 2HG2 THR 73 -4.690 -7.643 -13.082 553 3HG2 THR 73 3HG2 THR 73 -5.073 -8.647 -11.684 554 H GLU 74 H GLU 74 -4.398 -11.533 -11.535 555 HA GLU 74 HA GLU 74 -7.242 -12.150 -10.921 556 1HB GLU 74 2HB GLU 74 -6.592 -14.335 -11.379 557 2HB GLU 74 1HB GLU 74 -4.927 -14.055 -10.869 558 1HG GLU 74 2HG GLU 74 -5.455 -14.233 -8.595 559 2HG GLU 74 1HG GLU 74 -7.159 -13.867 -8.863 560 H ASP 75 H ASP 75 -7.790 -11.626 -8.823 561 HA ASP 75 HA ASP 75 -5.697 -10.297 -7.210 562 1HB ASP 75 2HB ASP 75 -7.519 -9.392 -5.911 563 2HB ASP 75 1HB ASP 75 -7.969 -9.252 -7.611 564 H GLU 76 H GLU 76 -6.371 -10.705 -4.650 565 HA GLU 76 HA GLU 76 -5.563 -13.460 -4.184 566 1HB GLU 76 2HB GLU 76 -6.534 -11.428 -2.156 567 2HB GLU 76 1HB GLU 76 -5.552 -12.858 -1.840 568 1HG GLU 76 2HG GLU 76 -3.639 -11.919 -2.752 569 2HG GLU 76 1HG GLU 76 -4.548 -10.846 -3.817 570 H ASP 77 H ASP 77 -8.190 -13.017 -5.505 571 HA ASP 77 HA ASP 77 -9.773 -14.746 -3.696 572 1HB ASP 77 2HB ASP 77 -10.324 -12.142 -3.531 573 2HB ASP 77 1HB ASP 77 -11.241 -12.489 -4.998 574 H GLY 78 H GLY 78 -9.765 -13.038 -6.839 575 1HA GLY 78 2HA GLY 78 -9.663 -14.523 -8.865 576 2HA GLY 78 1HA GLY 78 -10.837 -15.557 -8.050 577 H ASN 79 H ASN 79 -10.616 -12.032 -8.668 578 HA ASN 79 HA ASN 79 -13.486 -12.115 -9.460 579 1HB ASN 79 2HB ASN 79 -12.277 -10.440 -7.723 580 2HB ASN 79 1HB ASN 79 -12.051 -9.521 -9.213 581 1HD2 ASN 79 1HD2 ASN 79 -14.282 -9.698 -10.646 582 2HD2 ASN 79 2HD2 ASN 79 -15.676 -9.301 -9.764 583 H LYS 80 H LYS 80 -10.516 -12.286 -10.906 584 HA LYS 80 HA LYS 80 -9.710 -11.718 -13.050 585 1HB LYS 80 2HB LYS 80 -11.612 -13.367 -13.452 586 2HB LYS 80 1HB LYS 80 -12.629 -11.972 -13.809 587 1HG LYS 80 2HG LYS 80 -11.597 -11.557 -15.805 588 2HG LYS 80 1HG LYS 80 -10.013 -12.048 -15.204 589 1HD LYS 80 2HD LYS 80 -12.245 -14.019 -15.744 590 2HD LYS 80 1HD LYS 80 -11.032 -13.591 -16.951 591 1HE LYS 80 2HE LYS 80 -9.696 -15.164 -16.046 592 2HE LYS 80 1HE LYS 80 -9.572 -14.141 -14.615 593 1HZ LYS 80 1HZ LYS 80 -10.398 -16.495 -14.277 594 2HZ LYS 80 2HZ LYS 80 -11.841 -15.994 -15.022 595 3HZ LYS 80 3HZ LYS 80 -11.325 -15.259 -13.580 596 H LEU 81 H LEU 81 -9.102 -9.531 -12.837 597 HA LEU 81 HA LEU 81 -11.135 -7.577 -13.834 598 1HB LEU 81 2HB LEU 81 -9.260 -6.198 -12.201 599 2HB LEU 81 1HB LEU 81 -10.979 -6.444 -11.896 600 HG LEU 81 HG LEU 81 -10.399 -8.709 -10.940 601 1HD1 LEU 81 1HD1 LEU 81 -8.282 -9.490 -11.010 602 2HD1 LEU 81 2HD1 LEU 81 -7.637 -7.979 -10.366 603 3HD1 LEU 81 3HD1 LEU 81 -7.913 -8.151 -12.098 604 1HD2 LEU 81 1HD2 LEU 81 -9.420 -6.118 -9.753 605 2HD2 LEU 81 2HD2 LEU 81 -9.227 -7.630 -8.865 606 3HD2 LEU 81 3HD2 LEU 81 -10.838 -7.070 -9.313 607 H LEU 82 H LEU 82 -10.056 -5.590 -14.773 608 HA LEU 82 HA LEU 82 -7.556 -6.407 -16.188 609 1HB LEU 82 2HB LEU 82 -9.789 -4.504 -16.932 610 2HB LEU 82 1HB LEU 82 -8.252 -4.545 -17.798 611 HG LEU 82 HG LEU 82 -8.609 -7.009 -18.166 612 1HD1 LEU 82 1HD1 LEU 82 -10.964 -6.363 -16.515 613 2HD1 LEU 82 2HD1 LEU 82 -10.157 -7.911 -16.767 614 3HD1 LEU 82 3HD1 LEU 82 -11.327 -7.324 -17.949 615 1HD2 LEU 82 1HD2 LEU 82 -10.664 -5.044 -19.218 616 2HD2 LEU 82 2HD2 LEU 82 -10.440 -6.664 -19.878 617 3HD2 LEU 82 3HD2 LEU 82 -9.130 -5.485 -19.969 618 H CYS 83 H CYS 83 -5.748 -5.079 -16.068 619 HA CYS 83 HA CYS 83 -6.032 -2.601 -14.418 620 1HB CYS 83 2HB CYS 83 -4.915 -4.104 -12.979 621 2HB CYS 83 1HB CYS 83 -3.964 -4.791 -14.296 622 HG CYS 83 HG CYS 83 -3.158 -2.395 -12.662 623 H PHE 84 H PHE 84 -5.769 -0.972 -15.886 624 HA PHE 84 HA PHE 84 -3.785 -1.298 -18.065 625 1HB PHE 84 2HB PHE 84 -4.711 1.057 -18.675 626 2HB PHE 84 1HB PHE 84 -5.765 -0.337 -18.909 627 HD1 PHE 84 HD1 PHE 84 -5.513 2.881 -17.467 628 HD2 PHE 84 HD2 PHE 84 -7.238 -0.996 -16.804 629 HE1 PHE 84 HE1 PHE 84 -7.183 3.886 -15.933 630 HE2 PHE 84 HE2 PHE 84 -8.907 0.008 -15.269 631 HZ PHE 84 HZ PHE 84 -8.879 2.450 -14.834 632 H ASP 85 H ASP 85 -2.035 0.220 -18.321 633 HA ASP 85 HA ASP 85 -1.232 1.461 -15.730 634 1HB ASP 85 2HB ASP 85 0.631 1.153 -18.065 635 2HB ASP 85 1HB ASP 85 0.994 1.137 -16.340 636 H ALA 86 H ALA 86 -0.445 3.630 -15.708 637 HA ALA 86 HA ALA 86 -1.027 5.213 -18.176 638 1HB ALA 86 1HB ALA 86 -1.493 6.844 -15.886 639 2HB ALA 86 2HB ALA 86 -2.380 5.337 -15.647 640 3HB ALA 86 3HB ALA 86 -2.666 6.310 -17.090 641 H THR 87 H THR 87 0.481 6.819 -18.620 642 HA THR 87 HA THR 87 2.677 7.164 -16.615 643 HB THR 87 HB THR 87 3.797 7.685 -19.117 644 HG1 THR 87 HG1 THR 87 3.051 5.231 -19.694 645 1HG2 THR 87 1HG2 THR 87 3.858 5.243 -17.332 646 2HG2 THR 87 2HG2 THR 87 4.992 6.593 -17.341 647 3HG2 THR 87 3HG2 THR 87 4.948 5.469 -18.699 648 H MET 88 H MET 88 3.446 9.283 -16.367 649 HA MET 88 HA MET 88 2.418 11.393 -18.164 650 1HB MET 88 2HB MET 88 0.725 11.026 -16.293 651 2HB MET 88 1HB MET 88 1.969 11.587 -15.176 652 1HG MET 88 2HG MET 88 1.485 13.724 -15.679 653 2HG MET 88 1HG MET 88 1.828 13.418 -17.381 654 1HE MET 88 1HE MET 88 -0.135 15.313 -15.804 655 2HE MET 88 2HE MET 88 -1.707 15.272 -16.599 656 3HE MET 88 3HE MET 88 -0.248 15.506 -17.559 657 H GLN 89 H GLN 89 4.237 12.517 -18.644 658 HA GLN 89 HA GLN 89 6.566 12.475 -16.896 659 1HB GLN 89 2HB GLN 89 5.885 13.544 -19.579 660 2HB GLN 89 1HB GLN 89 7.134 14.425 -18.701 661 1HG GLN 89 2HG GLN 89 8.287 12.740 -19.937 662 2HG GLN 89 1HG GLN 89 8.237 12.155 -18.274 663 1HE2 GLN 89 1HE2 GLN 89 7.553 10.021 -18.094 664 2HE2 GLN 89 2HE2 GLN 89 6.538 9.223 -19.196 665 H SER 90 H SER 90 7.135 14.004 -15.391 666 HA SER 90 HA SER 90 6.169 16.735 -15.492 667 1HB SER 90 2HB SER 90 4.573 16.737 -13.785 668 2HB SER 90 1HB SER 90 4.210 15.222 -14.608 669 HG SER 90 HG SER 90 4.600 15.358 -12.151 670 H ALA 91 H ALA 91 6.992 17.985 -13.599 671 HA ALA 91 HA ALA 91 9.656 17.156 -12.888 672 1HB ALA 91 1HB ALA 91 9.172 19.137 -11.121 673 2HB ALA 91 2HB ALA 91 7.873 19.455 -12.271 674 3HB ALA 91 3HB ALA 91 9.550 19.447 -12.815 675 H LEU 92 H LEU 92 10.357 16.037 -11.104 676 HA LEU 92 HA LEU 92 8.461 14.632 -9.461 677 1HB LEU 92 2HB LEU 92 10.744 13.780 -9.934 678 2HB LEU 92 1HB LEU 92 11.422 15.101 -8.982 679 HG LEU 92 HG LEU 92 9.477 13.954 -7.321 680 1HD1 LEU 92 1HD1 LEU 92 10.299 11.553 -7.276 681 2HD1 LEU 92 2HD1 LEU 92 11.062 11.864 -8.835 682 3HD1 LEU 92 3HD1 LEU 92 9.309 11.971 -8.674 683 1HD2 LEU 92 1HD2 LEU 92 12.484 13.875 -7.491 684 2HD2 LEU 92 2HD2 LEU 92 11.646 13.003 -6.208 685 3HD2 LEU 92 3HD2 LEU 92 11.464 14.751 -6.350 686 H ASP 93 H ASP 93 7.149 16.373 -8.577 687 HA ASP 93 HA ASP 93 8.464 17.682 -6.238 688 1HB ASP 93 2HB ASP 93 7.000 18.930 -8.494 689 2HB ASP 93 1HB ASP 93 6.558 19.508 -6.887 690 H ALA 94 H ALA 94 7.381 17.220 -4.383 691 HA ALA 94 HA ALA 94 5.209 15.506 -4.148 692 1HB ALA 94 1HB ALA 94 5.707 17.875 -2.321 693 2HB ALA 94 2HB ALA 94 6.618 16.366 -2.249 694 3HB ALA 94 3HB ALA 94 4.890 16.370 -1.901 695 H LYS 95 H LYS 95 4.942 19.077 -3.916 696 HA LYS 95 HA LYS 95 2.186 19.340 -3.883 697 1HB LYS 95 2HB LYS 95 4.425 20.998 -4.717 698 2HB LYS 95 1HB LYS 95 3.001 21.304 -5.711 699 1HG LYS 95 2HG LYS 95 2.944 21.236 -2.683 700 2HG LYS 95 1HG LYS 95 3.123 22.717 -3.623 701 1HD LYS 95 2HD LYS 95 0.975 21.752 -4.875 702 2HD LYS 95 1HD LYS 95 0.744 20.933 -3.331 703 1HE LYS 95 2HE LYS 95 -0.415 23.022 -3.157 704 2HE LYS 95 1HE LYS 95 1.066 23.198 -2.216 705 1HZ LYS 95 1HZ LYS 95 0.264 24.881 -4.160 706 2HZ LYS 95 2HZ LYS 95 1.354 23.884 -4.999 707 3HZ LYS 95 3HZ LYS 95 1.861 24.726 -3.613 708 H LEU 96 H LEU 96 4.199 18.977 -6.817 709 HA LEU 96 HA LEU 96 2.075 19.018 -8.698 710 1HB LEU 96 2HB LEU 96 4.887 18.273 -8.672 711 2HB LEU 96 1HB LEU 96 3.949 17.191 -9.701 712 HG LEU 96 HG LEU 96 2.906 19.274 -10.730 713 1HD1 LEU 96 1HD1 LEU 96 4.237 21.359 -10.467 714 2HD1 LEU 96 2HD1 LEU 96 5.214 20.559 -9.237 715 3HD1 LEU 96 3HD1 LEU 96 3.500 20.851 -8.948 716 1HD2 LEU 96 1HD2 LEU 96 5.914 19.051 -11.038 717 2HD2 LEU 96 2HD2 LEU 96 4.755 19.587 -12.254 718 3HD2 LEU 96 3HD2 LEU 96 4.777 17.901 -11.741 719 H ILE 97 H ILE 97 3.688 16.153 -7.269 720 HA ILE 97 HA ILE 97 1.943 14.218 -8.368 721 HB ILE 97 HB ILE 97 3.284 14.091 -5.653 722 1HG1 ILE 97 2HG1 ILE 97 4.389 13.199 -8.330 723 2HG1 ILE 97 1HG1 ILE 97 4.783 14.755 -7.599 724 1HG2 ILE 97 1HG2 ILE 97 3.415 11.604 -6.547 725 2HG2 ILE 97 2HG2 ILE 97 2.035 12.108 -7.524 726 3HG2 ILE 97 3HG2 ILE 97 1.947 12.191 -5.765 727 1HD1 ILE 97 1HD1 ILE 97 5.675 12.036 -6.845 728 2HD1 ILE 97 2HD1 ILE 97 5.238 13.084 -5.495 729 3HD1 ILE 97 3HD1 ILE 97 6.488 13.588 -6.634 730 H ASP 98 H ASP 98 1.434 16.473 -5.768 731 HA ASP 98 HA ASP 98 -0.703 15.058 -4.449 732 1HB ASP 98 2HB ASP 98 -0.237 18.052 -4.615 733 2HB ASP 98 1HB ASP 98 -1.231 17.215 -3.422 734 H GLU 99 H GLU 99 -0.782 17.770 -6.795 735 HA GLU 99 HA GLU 99 -3.634 17.612 -7.170 736 1HB GLU 99 2HB GLU 99 -1.360 18.934 -8.618 737 2HB GLU 99 1HB GLU 99 -2.938 18.847 -9.402 738 1HG GLU 99 2HG GLU 99 -3.889 19.788 -7.197 739 2HG GLU 99 1HG GLU 99 -2.219 20.191 -6.795 740 H GLN 100 H GLN 100 -0.869 16.124 -8.804 741 HA GLN 100 HA GLN 100 -2.257 15.072 -11.056 742 1HB GLN 100 2HB GLN 100 0.334 14.777 -9.845 743 2HB GLN 100 1HB GLN 100 -0.295 13.177 -10.237 744 1HG GLN 100 2HG GLN 100 -0.600 13.750 -12.535 745 2HG GLN 100 1HG GLN 100 -0.359 15.467 -12.211 746 1HE2 GLN 100 1HE2 GLN 100 1.920 15.974 -11.211 747 2HE2 GLN 100 2HE2 GLN 100 3.231 15.106 -11.852 748 H VAL 101 H VAL 101 -1.557 13.552 -7.894 749 HA VAL 101 HA VAL 101 -3.029 11.155 -8.427 750 HB VAL 101 HB VAL 101 -2.361 12.516 -5.800 751 1HG1 VAL 101 1HG1 VAL 101 -2.598 9.821 -5.308 752 2HG1 VAL 101 2HG1 VAL 101 -3.902 10.094 -6.463 753 3HG1 VAL 101 3HG1 VAL 101 -3.848 11.016 -4.961 754 1HG2 VAL 101 1HG2 VAL 101 -0.474 11.767 -7.347 755 2HG2 VAL 101 2HG2 VAL 101 -1.061 10.120 -7.120 756 3HG2 VAL 101 3HG2 VAL 101 -0.468 11.042 -5.739 757 H GLU 102 H GLU 102 -3.959 14.199 -6.812 758 HA GLU 102 HA GLU 102 -6.581 13.453 -6.054 759 1HB GLU 102 2HB GLU 102 -5.326 15.623 -5.513 760 2HB GLU 102 1HB GLU 102 -5.852 16.196 -7.096 761 1HG GLU 102 2HG GLU 102 -8.157 16.038 -6.499 762 2HG GLU 102 1HG GLU 102 -7.790 15.095 -5.053 763 H LYS 103 H LYS 103 -5.272 14.332 -9.190 764 HA LYS 103 HA LYS 103 -7.839 14.754 -10.466 765 1HB LYS 103 2HB LYS 103 -5.012 14.392 -11.390 766 2HB LYS 103 1HB LYS 103 -6.313 14.198 -12.564 767 1HG LYS 103 2HG LYS 103 -7.208 16.431 -11.868 768 2HG LYS 103 1HG LYS 103 -5.797 16.629 -10.830 769 1HD LYS 103 2HD LYS 103 -4.900 15.831 -13.435 770 2HD LYS 103 1HD LYS 103 -6.010 17.190 -13.616 771 1HE LYS 103 2HE LYS 103 -3.639 17.127 -11.726 772 2HE LYS 103 1HE LYS 103 -3.669 17.949 -13.286 773 1HZ LYS 103 1HZ LYS 103 -4.307 19.151 -11.024 774 2HZ LYS 103 2HZ LYS 103 -5.842 18.555 -11.444 775 3HZ LYS 103 3HZ LYS 103 -5.002 19.577 -12.511 776 H LEU 104 H LEU 104 -5.564 11.999 -10.356 777 HA LEU 104 HA LEU 104 -7.237 10.264 -11.936 778 1HB LEU 104 2HB LEU 104 -5.075 9.604 -9.911 779 2HB LEU 104 1HB LEU 104 -5.795 8.447 -11.032 780 HG LEU 104 HG LEU 104 -4.371 10.990 -11.868 781 1HD1 LEU 104 1HD1 LEU 104 -2.522 9.568 -12.515 782 2HD1 LEU 104 2HD1 LEU 104 -3.424 8.118 -12.074 783 3HD1 LEU 104 3HD1 LEU 104 -2.891 9.240 -10.821 784 1HD2 LEU 104 1HD2 LEU 104 -5.766 10.509 -13.656 785 2HD2 LEU 104 2HD2 LEU 104 -5.818 8.786 -13.286 786 3HD2 LEU 104 3HD2 LEU 104 -4.395 9.478 -14.063 787 H VAL 105 H VAL 105 -6.917 10.831 -8.444 788 HA VAL 105 HA VAL 105 -8.684 8.707 -7.643 789 HB VAL 105 HB VAL 105 -7.767 11.264 -6.322 790 1HG1 VAL 105 1HG1 VAL 105 -9.822 9.256 -5.403 791 2HG1 VAL 105 2HG1 VAL 105 -9.919 11.017 -5.379 792 3HG1 VAL 105 3HG1 VAL 105 -8.864 10.177 -4.243 793 1HG2 VAL 105 1HG2 VAL 105 -7.333 8.673 -5.021 794 2HG2 VAL 105 2HG2 VAL 105 -6.170 9.941 -5.405 795 3HG2 VAL 105 3HG2 VAL 105 -6.618 8.756 -6.631 796 H ASN 106 H ASN 106 -9.199 12.097 -8.541 797 HA ASN 106 HA ASN 106 -11.970 12.212 -7.794 798 1HB ASN 106 2HB ASN 106 -10.145 13.806 -9.539 799 2HB ASN 106 1HB ASN 106 -11.879 14.007 -9.785 800 1HD2 ASN 106 1HD2 ASN 106 -9.682 13.697 -6.922 801 2HD2 ASN 106 2HD2 ASN 106 -10.393 14.977 -6.063 802 H LEU 107 H LEU 107 -10.511 11.854 -11.052 803 HA LEU 107 HA LEU 107 -12.925 11.189 -12.390 804 1HB LEU 107 2HB LEU 107 -10.831 11.766 -13.572 805 2HB LEU 107 1HB LEU 107 -10.101 10.261 -13.013 806 HG LEU 107 HG LEU 107 -12.442 9.362 -14.139 807 1HD1 LEU 107 1HD1 LEU 107 -12.920 11.636 -15.009 808 2HD1 LEU 107 2HD1 LEU 107 -12.649 10.482 -16.314 809 3HD1 LEU 107 3HD1 LEU 107 -11.378 11.619 -15.865 810 1HD2 LEU 107 1HD2 LEU 107 -9.788 9.779 -15.551 811 2HD2 LEU 107 2HD2 LEU 107 -11.007 8.572 -15.961 812 3HD2 LEU 107 3HD2 LEU 107 -10.137 8.463 -14.432 813 H ALA 108 H ALA 108 -10.630 9.186 -10.595 814 HA ALA 108 HA ALA 108 -11.718 6.650 -11.359 815 1HB ALA 108 1HB ALA 108 -10.687 5.957 -9.069 816 2HB ALA 108 2HB ALA 108 -10.086 7.614 -9.018 817 3HB ALA 108 3HB ALA 108 -9.605 6.541 -10.333 818 H GLU 109 H GLU 109 -12.197 8.479 -8.305 819 HA GLU 109 HA GLU 109 -14.300 6.807 -7.352 820 1HB GLU 109 2HB GLU 109 -12.911 9.011 -6.386 821 2HB GLU 109 1HB GLU 109 -14.561 9.610 -6.553 822 1HG GLU 109 2HG GLU 109 -13.882 6.997 -5.182 823 2HG GLU 109 1HG GLU 109 -14.044 8.527 -4.319 824 H LYS 110 H LYS 110 -14.271 9.233 -9.807 825 HA LYS 110 HA LYS 110 -17.149 9.770 -9.651 826 1HB LYS 110 2HB LYS 110 -15.504 11.460 -10.500 827 2HB LYS 110 1HB LYS 110 -15.206 10.415 -11.889 828 1HG LYS 110 2HG LYS 110 -17.011 11.263 -12.924 829 2HG LYS 110 1HG LYS 110 -18.035 10.704 -11.603 830 1HD LYS 110 2HD LYS 110 -17.218 12.815 -10.343 831 2HD LYS 110 1HD LYS 110 -16.692 13.384 -11.928 832 1HE LYS 110 2HE LYS 110 -19.398 13.194 -10.824 833 2HE LYS 110 1HE LYS 110 -18.807 14.146 -12.186 834 1HZ LYS 110 1HZ LYS 110 -19.893 11.430 -12.144 835 2HZ LYS 110 2HZ LYS 110 -18.681 11.779 -13.282 836 3HZ LYS 110 3HZ LYS 110 -20.127 12.672 -13.275 837 H PHE 111 H PHE 111 -15.054 7.488 -11.247 838 HA PHE 111 HA PHE 111 -17.265 6.667 -13.062 839 1HB PHE 111 2HB PHE 111 -14.335 6.477 -13.117 840 2HB PHE 111 1HB PHE 111 -15.142 4.978 -13.580 841 HD1 PHE 111 HD1 PHE 111 -13.758 7.780 -14.958 842 HD2 PHE 111 HD2 PHE 111 -17.472 5.622 -15.004 843 HE1 PHE 111 HE1 PHE 111 -14.297 8.752 -17.176 844 HE2 PHE 111 HE2 PHE 111 -18.010 6.593 -17.221 845 HZ PHE 111 HZ PHE 111 -16.422 8.159 -18.307 846 H ASP 112 H ASP 112 -14.805 4.666 -11.428 847 HA ASP 112 HA ASP 112 -16.273 3.432 -9.443 848 1HB ASP 112 2HB ASP 112 -17.240 2.672 -12.131 849 2HB ASP 112 1HB ASP 112 -16.924 1.317 -11.048 850 H ILE 113 H ILE 113 -13.551 3.876 -10.307 851 HA ILE 113 HA ILE 113 -12.561 1.051 -10.329 852 HB ILE 113 HB ILE 113 -10.512 1.941 -11.436 853 1HG1 ILE 113 2HG1 ILE 113 -12.136 4.505 -11.484 854 2HG1 ILE 113 1HG1 ILE 113 -10.622 4.245 -10.617 855 1HG2 ILE 113 1HG2 ILE 113 -12.774 1.206 -12.619 856 2HG2 ILE 113 2HG2 ILE 113 -11.439 1.872 -13.560 857 3HG2 ILE 113 3HG2 ILE 113 -12.802 2.898 -13.113 858 1HD1 ILE 113 1HD1 ILE 113 -11.060 4.341 -13.606 859 2HD1 ILE 113 2HD1 ILE 113 -9.593 3.669 -12.893 860 3HD1 ILE 113 3HD1 ILE 113 -10.006 5.363 -12.629 861 H ILE 114 H ILE 114 -10.226 1.003 -9.339 862 HA ILE 114 HA ILE 114 -10.278 2.702 -6.876 863 HB ILE 114 HB ILE 114 -10.554 0.277 -6.450 864 1HG1 ILE 114 2HG1 ILE 114 -7.943 1.567 -5.618 865 2HG1 ILE 114 1HG1 ILE 114 -9.455 1.517 -4.712 866 1HG2 ILE 114 1HG2 ILE 114 -8.982 -1.325 -7.152 867 2HG2 ILE 114 2HG2 ILE 114 -7.743 -0.109 -7.463 868 3HG2 ILE 114 3HG2 ILE 114 -9.118 -0.267 -8.556 869 1HD1 ILE 114 1HD1 ILE 114 -9.257 -0.950 -4.550 870 2HD1 ILE 114 2HD1 ILE 114 -7.881 -0.133 -3.809 871 3HD1 ILE 114 3HD1 ILE 114 -7.716 -0.871 -5.403 872 H TYR 115 H TYR 115 -8.496 3.953 -6.453 873 HA TYR 115 HA TYR 115 -6.239 3.748 -8.396 874 1HB TYR 115 2HB TYR 115 -7.108 5.934 -8.539 875 2HB TYR 115 1HB TYR 115 -7.389 6.032 -6.800 876 HD1 TYR 115 HD1 TYR 115 -4.722 5.886 -9.397 877 HD2 TYR 115 HD2 TYR 115 -5.708 6.820 -5.322 878 HE1 TYR 115 HE1 TYR 115 -2.479 6.897 -9.086 879 HE2 TYR 115 HE2 TYR 115 -3.465 7.829 -5.011 880 HH TYR 115 HH TYR 115 -1.673 8.751 -6.276 881 H ASP 116 H ASP 116 -5.084 2.107 -7.244 882 HA ASP 116 HA ASP 116 -3.638 3.151 -4.877 883 1HB ASP 116 2HB ASP 116 -5.593 1.823 -4.035 884 2HB ASP 116 1HB ASP 116 -4.953 0.419 -4.891 885 H GLY 117 H GLY 117 -1.975 3.235 -6.636 886 1HA GLY 117 2HA GLY 117 -0.086 1.174 -6.471 887 2HA GLY 117 1HA GLY 117 -1.057 0.805 -7.895 888 H TRP 118 H TRP 118 0.510 3.693 -6.446 889 HA TRP 118 HA TRP 118 1.337 4.442 -9.219 890 1HB TRP 118 2HB TRP 118 0.974 6.654 -8.720 891 2HB TRP 118 1HB TRP 118 -0.154 5.961 -7.557 892 HD1 TRP 118 HD1 TRP 118 0.385 6.212 -5.029 893 HE1 TRP 118 HE1 TRP 118 2.229 7.438 -3.709 894 HE3 TRP 118 HE3 TRP 118 3.589 7.349 -8.839 895 HZ2 TRP 118 HZ2 TRP 118 4.735 8.731 -4.205 896 HZ3 TRP 118 HZ3 TRP 118 5.693 8.576 -8.390 897 HH2 TRP 118 HH2 TRP 118 6.270 9.267 -6.079 898 H GLY 119 H GLY 119 3.502 5.599 -9.290 899 1HA GLY 119 2HA GLY 119 5.404 5.638 -7.248 900 2HA GLY 119 1HA GLY 119 5.486 4.005 -7.910 901 H THR 120 H THR 120 7.626 5.878 -8.084 902 HA THR 120 HA THR 120 7.638 6.474 -11.017 903 HB THR 120 HB THR 120 7.911 8.554 -9.931 904 HG1 THR 120 HG1 THR 120 10.199 8.968 -10.162 905 1HG2 THR 120 1HG2 THR 120 8.320 8.516 -7.719 906 2HG2 THR 120 2HG2 THR 120 10.024 8.271 -8.102 907 3HG2 THR 120 3HG2 THR 120 8.975 6.881 -7.817 908 H TYR 121 H TYR 121 9.895 6.297 -11.987 909 HA TYR 121 HA TYR 121 11.460 4.139 -10.629 910 1HB TYR 121 2HB TYR 121 9.994 3.803 -12.951 911 2HB TYR 121 1HB TYR 121 11.614 4.146 -13.562 912 HD1 TYR 121 HD1 TYR 121 13.543 2.731 -12.879 913 HD2 TYR 121 HD2 TYR 121 9.512 1.770 -11.747 914 HE1 TYR 121 HE1 TYR 121 14.257 0.431 -12.289 915 HE2 TYR 121 HE2 TYR 121 10.227 -0.530 -11.156 916 HH TYR 121 HH TYR 121 12.017 -2.088 -11.672 917 H TYR 122 H TYR 122 13.763 4.129 -11.225 918 HA TYR 122 HA TYR 122 14.899 6.759 -11.248 919 1HB TYR 122 2HB TYR 122 15.952 3.971 -11.433 920 2HB TYR 122 1HB TYR 122 17.019 5.283 -11.932 921 HD1 TYR 122 HD1 TYR 122 15.912 3.380 -9.179 922 HD2 TYR 122 HD2 TYR 122 17.041 7.377 -10.280 923 HE1 TYR 122 HE1 TYR 122 16.382 3.903 -6.801 924 HE2 TYR 122 HE2 TYR 122 17.510 7.899 -7.901 925 HH TYR 122 HH TYR 122 16.468 5.973 -5.358 926 H GLU 123 H GLU 123 13.732 7.586 -13.196 927 HA GLU 123 HA GLU 123 13.544 7.978 -15.523 928 1HB GLU 123 2HB GLU 123 15.725 9.067 -14.689 929 2HB GLU 123 1HB GLU 123 16.550 7.708 -15.452 930 1HG GLU 123 2HG GLU 123 15.824 8.312 -17.607 931 2HG GLU 123 1HG GLU 123 14.518 9.320 -16.981 932 H GLY 124 H GLY 124 12.891 5.406 -15.278 933 1HA GLY 124 2HA GLY 124 12.869 3.345 -16.401 934 2HA GLY 124 1HA GLY 124 13.616 4.212 -17.744 935 H LEU 125 H LEU 125 14.124 1.510 -16.274 936 HA LEU 125 HA LEU 125 16.953 1.438 -16.745 937 1HB LEU 125 2HB LEU 125 16.867 2.753 -14.582 938 2HB LEU 125 1HB LEU 125 16.180 1.319 -13.817 939 HG LEU 125 HG LEU 125 18.232 0.075 -14.819 940 1HD1 LEU 125 1HD1 LEU 125 18.698 2.666 -15.825 941 2HD1 LEU 125 2HD1 LEU 125 19.805 1.294 -15.878 942 3HD1 LEU 125 3HD1 LEU 125 19.887 2.440 -14.542 943 1HD2 LEU 125 1HD2 LEU 125 18.088 0.283 -12.460 944 2HD2 LEU 125 2HD2 LEU 125 18.297 2.033 -12.518 945 3HD2 LEU 125 3HD2 LEU 125 19.662 0.969 -12.860 946 H GLU 126 H GLU 126 17.194 -0.636 -17.414 947 HA GLU 126 HA GLU 126 15.923 -2.802 -15.827 948 1HB GLU 126 2HB GLU 126 15.236 -2.018 -18.589 949 2HB GLU 126 1HB GLU 126 15.566 -3.738 -18.378 950 1HG GLU 126 2HG GLU 126 13.806 -2.357 -16.384 951 2HG GLU 126 1HG GLU 126 13.133 -2.785 -17.956 952 H HIS 127 H HIS 127 18.231 -3.025 -15.203 953 HA HIS 127 HA HIS 127 19.547 -5.080 -16.712 954 1HB HIS 127 2HB HIS 127 19.998 -2.890 -18.056 955 2HB HIS 127 1HB HIS 127 21.104 -2.499 -16.739 956 HD2 HIS 127 HD2 HIS 127 21.808 -5.991 -16.621 957 HE1 HIS 127 HE1 HIS 127 23.858 -4.908 -20.152 958 HE2 HIS 127 HE2 HIS 127 23.611 -6.696 -18.369 959 H HIS 128 H HIS 128 19.110 -5.526 -14.282 960 HA HIS 128 HA HIS 128 21.621 -4.903 -12.809 961 1HB HIS 128 2HB HIS 128 18.958 -3.974 -12.139 962 2HB HIS 128 1HB HIS 128 19.580 -5.022 -10.865 963 HD2 HIS 128 HD2 HIS 128 21.112 -1.931 -12.894 964 HE1 HIS 128 HE1 HIS 128 22.457 -1.798 -8.892 965 HE2 HIS 128 HE2 HIS 128 22.536 -0.626 -11.140 966 H HIS 129 H HIS 129 21.086 -6.297 -10.489 967 HA HIS 129 HA HIS 129 20.920 -9.076 -11.525 968 1HB HIS 129 2HB HIS 129 21.935 -9.700 -9.358 969 2HB HIS 129 1HB HIS 129 22.902 -8.477 -10.183 970 HD2 HIS 129 HD2 HIS 129 22.622 -8.781 -6.755 971 HE1 HIS 129 HE1 HIS 129 20.897 -4.949 -7.162 972 HE2 HIS 129 HE2 HIS 129 21.937 -6.585 -5.527 973 H HIS 130 H HIS 130 20.251 -10.211 -8.934 974 HA HIS 130 HA HIS 130 17.731 -9.096 -8.029 975 1HB HIS 130 2HB HIS 130 16.898 -9.961 -10.134 976 2HB HIS 130 1HB HIS 130 17.689 -11.512 -9.859 977 HD2 HIS 130 HD2 HIS 130 15.613 -9.779 -6.985 978 HE1 HIS 130 HE1 HIS 130 13.572 -13.276 -8.181 979 HE2 HIS 130 HE2 HIS 130 13.620 -11.386 -6.491 980 H HIS 131 H HIS 131 20.401 -11.005 -7.656 981 HA HIS 131 HA HIS 131 19.256 -12.999 -5.841 982 1HB HIS 131 2HB HIS 131 22.026 -12.253 -6.734 983 2HB HIS 131 1HB HIS 131 21.820 -13.258 -5.300 984 HD2 HIS 131 HD2 HIS 131 20.373 -15.760 -5.847 985 HE1 HIS 131 HE1 HIS 131 21.164 -15.621 -9.993 986 HE2 HIS 131 HE2 HIS 131 20.340 -17.086 -8.094 987 H HIS 132 HN HIS 132 18.241 -11.814 -4.178 988 HA HIS 132 HA HIS 132 19.945 -9.929 -2.628 989 1HB HIS 132 2HB HIS 132 17.969 -8.995 -1.781 990 2HB HIS 132 1HB HIS 132 17.492 -9.448 -3.417 991 HD2 HIS 132 HD2 HIS 132 16.333 -10.101 0.156 992 HE1 HIS 132 HE1 HIS 132 14.658 -13.199 -2.175 993 HE2 HIS 132 HE2 HIS 132 14.612 -12.059 0.092 Start of MODEL 9 1 1H MET 1 1H MET 1 -29.786 9.211 0.644 2 2H MET 1 2H MET 1 -28.905 10.602 1.061 3 3H MET 1 3H MET 1 -29.813 9.783 2.241 4 HA MET 1 HA MET 1 -27.879 8.111 0.919 5 1HB MET 1 2HB MET 1 -26.667 10.290 0.963 6 2HB MET 1 1HB MET 1 -26.942 10.378 2.703 7 1HG MET 1 2HG MET 1 -24.917 9.329 2.811 8 2HG MET 1 1HG MET 1 -25.880 7.883 2.505 9 1HE MET 1 1HE MET 1 -23.298 10.353 -0.271 10 2HE MET 1 2HE MET 1 -22.625 9.609 1.177 11 3HE MET 1 3HE MET 1 -23.973 10.734 1.318 12 H SER 2 H SER 2 -29.127 6.542 2.073 13 HA SER 2 HA SER 2 -29.859 6.662 4.799 14 1HB SER 2 2HB SER 2 -28.936 4.055 3.662 15 2HB SER 2 1HB SER 2 -30.379 4.415 4.605 16 HG SER 2 HG SER 2 -30.947 5.724 2.631 17 H HIS 3 H HIS 3 -28.431 4.146 5.631 18 HA HIS 3 HA HIS 3 -25.936 5.492 6.549 19 1HB HIS 3 2HB HIS 3 -27.835 4.264 8.042 20 2HB HIS 3 1HB HIS 3 -26.756 2.901 7.744 21 HD2 HIS 3 HD2 HIS 3 -24.580 2.865 9.451 22 HE1 HIS 3 HE1 HIS 3 -24.698 6.913 10.651 23 HE2 HIS 3 HE2 HIS 3 -23.527 4.688 10.991 24 H GLN 4 H GLN 4 -23.940 4.602 6.082 25 HA GLN 4 HA GLN 4 -23.957 2.272 4.223 26 1HB GLN 4 2HB GLN 4 -22.420 4.743 4.404 27 2HB GLN 4 1HB GLN 4 -21.370 3.329 4.297 28 1HG GLN 4 2HG GLN 4 -23.724 3.734 2.442 29 2HG GLN 4 1HG GLN 4 -22.112 4.348 2.070 30 1HE2 GLN 4 1HE2 GLN 4 -23.987 1.363 2.570 31 2HE2 GLN 4 2HE2 GLN 4 -22.840 0.327 1.870 32 H ASP 5 H ASP 5 -21.266 3.384 6.230 33 HA ASP 5 HA ASP 5 -21.427 1.497 8.325 34 1HB ASP 5 2HB ASP 5 -19.437 0.054 7.119 35 2HB ASP 5 1HB ASP 5 -21.133 -0.435 7.151 36 H ASP 6 H ASP 6 -18.709 2.119 6.077 37 HA ASP 6 HA ASP 6 -17.082 3.063 8.337 38 1HB ASP 6 2HB ASP 6 -16.576 2.545 5.413 39 2HB ASP 6 1HB ASP 6 -15.410 3.461 6.370 40 H TYR 7 H TYR 7 -16.607 5.200 8.764 41 HA TYR 7 HA TYR 7 -18.147 7.226 7.280 42 1HB TYR 7 2HB TYR 7 -16.265 7.643 9.618 43 2HB TYR 7 1HB TYR 7 -17.528 8.737 9.054 44 HD1 TYR 7 HD1 TYR 7 -19.950 7.619 8.891 45 HD2 TYR 7 HD2 TYR 7 -16.757 6.241 11.412 46 HE1 TYR 7 HE1 TYR 7 -21.597 6.473 10.348 47 HE2 TYR 7 HE2 TYR 7 -18.404 5.095 12.870 48 HH TYR 7 HH TYR 7 -21.669 5.721 12.802 49 H LEU 8 H LEU 8 -17.261 8.673 5.854 50 HA LEU 8 HA LEU 8 -15.656 9.658 4.455 51 1HB LEU 8 2HB LEU 8 -13.754 9.081 6.745 52 2HB LEU 8 1HB LEU 8 -13.552 10.293 5.478 53 HG LEU 8 HG LEU 8 -16.050 10.399 7.110 54 1HD1 LEU 8 1HD1 LEU 8 -13.370 11.436 8.084 55 2HD1 LEU 8 2HD1 LEU 8 -14.227 10.057 8.772 56 3HD1 LEU 8 3HD1 LEU 8 -14.928 11.671 8.877 57 1HD2 LEU 8 1HD2 LEU 8 -15.329 11.911 5.124 58 2HD2 LEU 8 2HD2 LEU 8 -14.214 12.645 6.278 59 3HD2 LEU 8 3HD2 LEU 8 -15.953 12.698 6.574 60 H SER 9 H SER 9 -13.568 9.141 3.274 61 HA SER 9 HA SER 9 -12.350 6.550 3.499 62 1HB SER 9 2HB SER 9 -13.653 6.330 0.954 63 2HB SER 9 1HB SER 9 -13.749 5.234 2.329 64 HG SER 9 HG SER 9 -15.238 7.640 2.079 65 H VAL 10 H VAL 10 -13.388 8.319 0.576 66 HA VAL 10 HA VAL 10 -11.030 8.282 -0.844 67 HB VAL 10 HB VAL 10 -12.876 10.671 -0.534 68 1HG1 VAL 10 1HG1 VAL 10 -10.824 9.953 -2.647 69 2HG1 VAL 10 2HG1 VAL 10 -10.785 11.348 -1.570 70 3HG1 VAL 10 3HG1 VAL 10 -12.020 11.237 -2.824 71 1HG2 VAL 10 1HG2 VAL 10 -14.349 9.548 -1.828 72 2HG2 VAL 10 2HG2 VAL 10 -13.380 8.102 -1.539 73 3HG2 VAL 10 3HG2 VAL 10 -13.086 9.090 -2.971 74 H GLU 11 H GLU 11 -11.687 10.115 2.063 75 HA GLU 11 HA GLU 11 -9.375 11.861 1.826 76 1HB GLU 11 2HB GLU 11 -11.428 12.318 3.244 77 2HB GLU 11 1HB GLU 11 -10.843 11.084 4.360 78 1HG GLU 11 2HG GLU 11 -9.809 12.885 5.331 79 2HG GLU 11 1HG GLU 11 -8.589 12.545 4.103 80 H GLU 12 H GLU 12 -9.990 8.670 3.165 81 HA GLU 12 HA GLU 12 -7.567 8.483 4.714 82 1HB GLU 12 2HB GLU 12 -9.098 6.208 3.424 83 2HB GLU 12 1HB GLU 12 -8.040 6.117 4.833 84 1HG GLU 12 2HG GLU 12 -10.256 8.078 5.020 85 2HG GLU 12 1HG GLU 12 -10.735 6.380 5.016 86 H LEU 13 H LEU 13 -8.418 7.500 1.397 87 HA LEU 13 HA LEU 13 -5.893 6.310 0.770 88 1HB LEU 13 2HB LEU 13 -7.772 7.721 -1.147 89 2HB LEU 13 1HB LEU 13 -6.591 6.471 -1.544 90 HG LEU 13 HG LEU 13 -8.875 6.026 0.392 91 1HD1 LEU 13 1HD1 LEU 13 -9.514 6.594 -2.055 92 2HD1 LEU 13 2HD1 LEU 13 -10.167 5.111 -1.360 93 3HD1 LEU 13 3HD1 LEU 13 -8.789 5.037 -2.457 94 1HD2 LEU 13 1HD2 LEU 13 -8.295 3.603 -0.423 95 2HD2 LEU 13 2HD2 LEU 13 -7.248 4.374 0.769 96 3HD2 LEU 13 3HD2 LEU 13 -6.767 4.325 -0.927 97 H ILE 14 H ILE 14 -7.128 9.508 -0.289 98 HA ILE 14 HA ILE 14 -4.739 10.528 -1.319 99 HB ILE 14 HB ILE 14 -7.018 11.887 0.125 100 1HG1 ILE 14 2HG1 ILE 14 -6.199 12.217 -2.753 101 2HG1 ILE 14 1HG1 ILE 14 -7.108 10.788 -2.258 102 1HG2 ILE 14 1HG2 ILE 14 -4.399 12.977 -0.775 103 2HG2 ILE 14 2HG2 ILE 14 -5.477 13.547 0.499 104 3HG2 ILE 14 3HG2 ILE 14 -5.830 13.922 -1.188 105 1HD1 ILE 14 1HD1 ILE 14 -8.803 12.331 -1.202 106 2HD1 ILE 14 2HD1 ILE 14 -8.704 12.461 -2.959 107 3HD1 ILE 14 3HD1 ILE 14 -7.942 13.683 -1.940 108 H GLU 15 H GLU 15 -5.904 10.869 2.049 109 HA GLU 15 HA GLU 15 -3.822 12.297 3.180 110 1HB GLU 15 2HB GLU 15 -5.432 9.978 4.231 111 2HB GLU 15 1HB GLU 15 -4.191 10.735 5.228 112 1HG GLU 15 2HG GLU 15 -6.105 12.555 3.849 113 2HG GLU 15 1HG GLU 15 -6.737 11.608 5.194 114 H ILE 16 H ILE 16 -3.845 8.709 3.191 115 HA ILE 16 HA ILE 16 -1.104 8.450 3.897 116 HB ILE 16 HB ILE 16 -2.799 6.533 2.265 117 1HG1 ILE 16 2HG1 ILE 16 -2.335 6.683 5.262 118 2HG1 ILE 16 1HG1 ILE 16 -3.807 7.215 4.450 119 1HG2 ILE 16 1HG2 ILE 16 -0.724 5.548 4.126 120 2HG2 ILE 16 2HG2 ILE 16 -0.102 6.413 2.721 121 3HG2 ILE 16 3HG2 ILE 16 -1.130 4.999 2.500 122 1HD1 ILE 16 1HD1 ILE 16 -4.193 4.970 5.249 123 2HD1 ILE 16 2HD1 ILE 16 -2.683 4.403 4.537 124 3HD1 ILE 16 3HD1 ILE 16 -4.021 4.887 3.496 125 H GLN 17 H GLN 17 -2.551 7.956 0.649 126 HA GLN 17 HA GLN 17 -0.357 7.619 -0.926 127 1HB GLN 17 2HB GLN 17 -2.802 9.312 -1.337 128 2HB GLN 17 1HB GLN 17 -1.525 9.331 -2.555 129 1HG GLN 17 2HG GLN 17 -1.809 7.081 -3.087 130 2HG GLN 17 1HG GLN 17 -2.521 6.696 -1.519 131 1HE2 GLN 17 1HE2 GLN 17 -4.445 5.747 -2.524 132 2HE2 GLN 17 2HE2 GLN 17 -5.616 6.722 -3.274 133 H LYS 18 H LYS 18 -1.245 10.648 0.675 134 HA LYS 18 HA LYS 18 0.824 12.220 -0.612 135 1HB LYS 18 2HB LYS 18 -0.931 12.605 1.808 136 2HB LYS 18 1HB LYS 18 0.380 13.733 1.464 137 1HG LYS 18 2HG LYS 18 -0.578 14.422 -0.571 138 2HG LYS 18 1HG LYS 18 -1.600 12.988 -0.681 139 1HD LYS 18 2HD LYS 18 -3.071 13.767 1.005 140 2HD LYS 18 1HD LYS 18 -1.918 14.979 1.566 141 1HE LYS 18 2HE LYS 18 -2.158 16.199 -0.566 142 2HE LYS 18 1HE LYS 18 -3.311 14.989 -1.129 143 1HZ LYS 18 1HZ LYS 18 -4.891 16.155 -0.134 144 2HZ LYS 18 2HZ LYS 18 -3.758 17.227 0.539 145 3HZ LYS 18 3HZ LYS 18 -4.182 15.805 1.366 146 H GLU 19 H GLU 19 0.565 11.300 2.844 147 HA GLU 19 HA GLU 19 3.129 11.800 3.688 148 1HB GLU 19 2HB GLU 19 1.332 9.451 4.301 149 2HB GLU 19 1HB GLU 19 2.901 9.635 5.086 150 1HG GLU 19 2HG GLU 19 2.148 11.291 6.429 151 2HG GLU 19 1HG GLU 19 1.339 12.111 5.093 152 H GLU 20 H GLU 20 2.095 9.105 1.644 153 HA GLU 20 HA GLU 20 4.619 7.718 1.666 154 1HB GLU 20 2HB GLU 20 2.240 7.716 -0.192 155 2HB GLU 20 1HB GLU 20 3.691 6.785 -0.568 156 1HG GLU 20 2HG GLU 20 2.355 6.555 2.126 157 2HG GLU 20 1HG GLU 20 1.807 5.593 0.752 158 H THR 21 H THR 21 3.154 9.600 -1.013 159 HA THR 21 HA THR 21 5.275 9.856 -2.718 160 HB THR 21 HB THR 21 3.625 12.240 -1.826 161 HG1 THR 21 HG1 THR 21 2.013 11.395 -2.888 162 1HG2 THR 21 1HG2 THR 21 5.527 11.699 -3.995 163 2HG2 THR 21 2HG2 THR 21 4.938 13.240 -3.375 164 3HG2 THR 21 3HG2 THR 21 3.985 12.343 -4.557 165 H ARG 22 H ARG 22 4.837 11.792 0.250 166 HA ARG 22 HA ARG 22 7.218 13.330 0.004 167 1HB ARG 22 2HB ARG 22 5.471 12.492 2.294 168 2HB ARG 22 1HB ARG 22 7.028 13.246 2.643 169 1HG ARG 22 2HG ARG 22 6.386 15.119 1.091 170 2HG ARG 22 1HG ARG 22 4.779 14.399 0.974 171 1HD ARG 22 2HD ARG 22 5.285 14.486 3.714 172 2HD ARG 22 1HD ARG 22 5.930 16.013 3.116 173 HE ARG 22 HE ARG 22 3.217 15.576 3.536 174 1HH1 ARG 22 1HH2 ARG 22 5.235 16.285 0.823 175 2HH1 ARG 22 2HH2 ARG 22 3.967 17.036 -0.084 176 1HH2 ARG 22 2HH1 ARG 22 1.564 16.554 2.365 177 2HH2 ARG 22 1HH1 ARG 22 1.892 17.190 0.788 178 H ASP 23 H ASP 23 6.642 10.127 1.437 179 HA ASP 23 HA ASP 23 9.248 9.748 2.529 180 1HB ASP 23 2HB ASP 23 7.453 8.230 3.119 181 2HB ASP 23 1HB ASP 23 7.248 7.749 1.435 182 H ILE 24 H ILE 24 7.924 8.964 -0.689 183 HA ILE 24 HA ILE 24 10.358 7.808 -1.696 184 HB ILE 24 HB ILE 24 8.128 9.166 -3.242 185 1HG1 ILE 24 2HG1 ILE 24 8.470 6.225 -2.585 186 2HG1 ILE 24 1HG1 ILE 24 7.418 7.307 -1.672 187 1HG2 ILE 24 1HG2 ILE 24 10.587 7.736 -3.979 188 2HG2 ILE 24 2HG2 ILE 24 9.555 8.777 -4.961 189 3HG2 ILE 24 3HG2 ILE 24 9.140 7.077 -4.741 190 1HD1 ILE 24 1HD1 ILE 24 6.740 7.795 -4.334 191 2HD1 ILE 24 2HD1 ILE 24 5.810 6.833 -3.184 192 3HD1 ILE 24 3HD1 ILE 24 6.965 6.047 -4.262 193 H ILE 25 H ILE 25 8.881 10.957 -2.564 194 HA ILE 25 HA ILE 25 11.044 12.091 -3.891 195 HB ILE 25 HB ILE 25 8.839 13.211 -2.209 196 1HG1 ILE 25 2HG1 ILE 25 8.467 14.464 -4.369 197 2HG1 ILE 25 1HG1 ILE 25 9.833 13.580 -5.050 198 1HG2 ILE 25 1HG2 ILE 25 10.579 14.670 -1.479 199 2HG2 ILE 25 2HG2 ILE 25 9.766 15.529 -2.788 200 3HG2 ILE 25 3HG2 ILE 25 11.307 14.724 -3.085 201 1HD1 ILE 25 1HD1 ILE 25 7.838 11.877 -3.702 202 2HD1 ILE 25 2HD1 ILE 25 8.642 11.656 -5.257 203 3HD1 ILE 25 3HD1 ILE 25 7.234 12.711 -5.134 204 H GLN 26 H GLN 26 10.558 11.810 -0.389 205 HA GLN 26 HA GLN 26 12.774 13.411 0.424 206 1HB GLN 26 2HB GLN 26 11.392 11.049 1.715 207 2HB GLN 26 1HB GLN 26 12.697 11.934 2.507 208 1HG GLN 26 2HG GLN 26 10.544 13.613 1.364 209 2HG GLN 26 1HG GLN 26 10.073 12.611 2.738 210 1HE2 GLN 26 1HE2 GLN 26 13.419 13.629 2.514 211 2HE2 GLN 26 2HE2 GLN 26 13.352 14.784 3.756 212 H ALA 27 H ALA 27 12.543 9.940 -0.347 213 HA ALA 27 HA ALA 27 15.273 9.323 0.279 214 1HB ALA 27 1HB ALA 27 13.066 7.865 -0.498 215 2HB ALA 27 2HB ALA 27 14.705 7.224 -0.373 216 3HB ALA 27 3HB ALA 27 14.092 7.782 -1.930 217 H LEU 28 H LEU 28 13.691 10.047 -2.852 218 HA LEU 28 HA LEU 28 15.993 9.930 -4.474 219 1HB LEU 28 2HB LEU 28 13.634 11.823 -4.713 220 2HB LEU 28 1HB LEU 28 14.790 11.468 -5.997 221 HG LEU 28 HG LEU 28 13.348 9.210 -4.638 222 1HD1 LEU 28 1HD1 LEU 28 11.378 10.145 -5.289 223 2HD1 LEU 28 2HD1 LEU 28 11.872 9.641 -6.905 224 3HD1 LEU 28 3HD1 LEU 28 12.171 11.294 -6.367 225 1HD2 LEU 28 1HD2 LEU 28 13.936 8.017 -6.562 226 2HD2 LEU 28 2HD2 LEU 28 15.309 9.111 -6.392 227 3HD2 LEU 28 3HD2 LEU 28 14.033 9.472 -7.555 228 H LEU 29 H LEU 29 14.567 12.938 -3.124 229 HA LEU 29 HA LEU 29 16.667 14.674 -3.740 230 1HB LEU 29 2HB LEU 29 14.589 14.572 -1.617 231 2HB LEU 29 1HB LEU 29 15.965 15.632 -1.304 232 HG LEU 29 HG LEU 29 14.128 16.817 -2.490 233 1HD1 LEU 29 1HD1 LEU 29 15.694 18.067 -3.532 234 2HD1 LEU 29 2HD1 LEU 29 16.086 16.763 -4.653 235 3HD1 LEU 29 3HD1 LEU 29 16.857 16.825 -3.069 236 1HD2 LEU 29 1HD2 LEU 29 13.487 16.189 -4.717 237 2HD2 LEU 29 2HD2 LEU 29 13.409 14.719 -3.748 238 3HD2 LEU 29 3HD2 LEU 29 14.781 14.996 -4.821 239 H GLU 30 H GLU 30 16.325 12.687 -0.787 240 HA GLU 30 HA GLU 30 18.721 13.395 0.493 241 1HB GLU 30 2HB GLU 30 17.295 11.962 1.708 242 2HB GLU 30 1HB GLU 30 17.161 10.817 0.374 243 1HG GLU 30 2HG GLU 30 18.637 10.000 2.226 244 2HG GLU 30 1HG GLU 30 19.472 10.117 0.677 245 H ASP 31 H ASP 31 18.196 11.036 -2.117 246 HA ASP 31 HA ASP 31 20.849 9.995 -2.195 247 1HB ASP 31 2HB ASP 31 18.514 10.057 -4.010 248 2HB ASP 31 1HB ASP 31 20.075 9.870 -4.808 249 H GLY 32 H GLY 32 19.372 12.692 -4.025 250 1HA GLY 32 2HA GLY 32 20.990 14.708 -4.084 251 2HA GLY 32 1HA GLY 32 22.138 13.553 -4.760 252 H SER 33 H SER 33 18.898 12.993 -5.709 253 HA SER 33 HA SER 33 19.533 13.591 -8.480 254 1HB SER 33 2HB SER 33 16.758 13.281 -8.286 255 2HB SER 33 1HB SER 33 17.925 12.021 -8.676 256 HG SER 33 HG SER 33 16.401 11.873 -6.715 257 H ASP 34 H ASP 34 18.115 15.081 -9.804 258 HA ASP 34 HA ASP 34 17.163 17.417 -8.205 259 1HB ASP 34 2HB ASP 34 18.261 18.233 -10.758 260 2HB ASP 34 1HB ASP 34 18.683 18.793 -9.140 261 HA PRO 35 HA PRO 35 13.590 17.239 -10.774 262 1HB PRO 35 2HB PRO 35 12.912 19.896 -10.909 263 2HB PRO 35 1HB PRO 35 12.654 18.889 -9.472 264 1HG PRO 35 2HG PRO 35 14.792 20.872 -10.035 265 2HG PRO 35 1HG PRO 35 13.960 20.503 -8.515 266 1HD PRO 35 2HD PRO 35 16.488 19.602 -9.113 267 2HD PRO 35 1HD PRO 35 15.380 18.757 -8.010 268 H ASP 36 H ASP 36 16.454 18.356 -11.929 269 HA ASP 36 HA ASP 36 15.400 19.511 -14.441 270 1HB ASP 36 2HB ASP 36 18.258 18.991 -13.562 271 2HB ASP 36 1HB ASP 36 17.767 19.900 -14.991 272 H ALA 37 H ALA 37 16.043 16.455 -13.212 273 HA ALA 37 HA ALA 37 16.860 15.357 -15.853 274 1HB ALA 37 1HB ALA 37 17.340 14.614 -13.112 275 2HB ALA 37 2HB ALA 37 18.058 13.943 -14.576 276 3HB ALA 37 3HB ALA 37 16.550 13.277 -13.949 277 H LEU 38 H LEU 38 14.051 16.303 -14.700 278 HA LEU 38 HA LEU 38 11.819 15.630 -14.997 279 1HB LEU 38 2HB LEU 38 13.360 14.414 -17.234 280 2HB LEU 38 1HB LEU 38 11.741 13.771 -16.955 281 HG LEU 38 HG LEU 38 11.708 15.668 -18.551 282 1HD1 LEU 38 1HD1 LEU 38 9.716 16.391 -17.721 283 2HD1 LEU 38 2HD1 LEU 38 10.436 16.912 -16.198 284 3HD1 LEU 38 3HD1 LEU 38 10.016 15.217 -16.440 285 1HD2 LEU 38 1HD2 LEU 38 12.699 17.277 -16.176 286 2HD2 LEU 38 2HD2 LEU 38 12.275 17.918 -17.763 287 3HD2 LEU 38 3HD2 LEU 38 13.673 16.858 -17.584 288 H TYR 39 H TYR 39 10.376 13.570 -15.008 289 HA TYR 39 HA TYR 39 11.653 11.182 -13.856 290 1HB TYR 39 2HB TYR 39 10.307 13.213 -12.217 291 2HB TYR 39 1HB TYR 39 9.645 11.592 -11.999 292 HD1 TYR 39 HD1 TYR 39 12.708 13.661 -11.780 293 HD2 TYR 39 HD2 TYR 39 10.948 9.820 -11.004 294 HE1 TYR 39 HE1 TYR 39 14.670 13.041 -10.396 295 HE2 TYR 39 HE2 TYR 39 12.910 9.200 -9.620 296 HH TYR 39 HH TYR 39 15.381 9.927 -9.507 297 H GLU 40 H GLU 40 10.230 9.354 -13.910 298 HA GLU 40 HA GLU 40 7.831 9.802 -15.622 299 1HB GLU 40 2HB GLU 40 9.015 7.096 -15.062 300 2HB GLU 40 1HB GLU 40 8.135 7.650 -16.486 301 1HG GLU 40 2HG GLU 40 10.321 7.639 -17.291 302 2HG GLU 40 1HG GLU 40 10.173 9.306 -16.734 303 H ILE 41 H ILE 41 5.907 9.732 -14.588 304 HA ILE 41 HA ILE 41 5.737 8.228 -12.014 305 HB ILE 41 HB ILE 41 4.154 10.540 -13.151 306 1HG1 ILE 41 2HG1 ILE 41 4.798 11.517 -10.913 307 2HG1 ILE 41 1HG1 ILE 41 5.789 10.083 -10.638 308 1HG2 ILE 41 1HG2 ILE 41 2.972 10.217 -10.793 309 2HG2 ILE 41 2HG2 ILE 41 3.417 8.531 -11.058 310 3HG2 ILE 41 3HG2 ILE 41 2.386 9.365 -12.221 311 1HD1 ILE 41 1HD1 ILE 41 6.255 11.310 -13.260 312 2HD1 ILE 41 2HD1 ILE 41 7.417 10.808 -12.032 313 3HD1 ILE 41 3HD1 ILE 41 6.637 12.385 -11.916 314 H GLU 42 H GLU 42 4.531 6.380 -11.997 315 HA GLU 42 HA GLU 42 2.694 5.928 -14.316 316 1HB GLU 42 2HB GLU 42 4.655 4.411 -14.282 317 2HB GLU 42 1HB GLU 42 4.192 3.868 -12.669 318 1HG GLU 42 2HG GLU 42 2.290 2.754 -13.442 319 2HG GLU 42 1HG GLU 42 2.193 3.732 -14.907 320 H HIS 43 H HIS 43 0.592 5.409 -13.852 321 HA HIS 43 HA HIS 43 -0.102 5.028 -10.966 322 1HB HIS 43 2HB HIS 43 -1.633 6.393 -13.198 323 2HB HIS 43 1HB HIS 43 -2.349 5.994 -11.635 324 HD2 HIS 43 HD2 HIS 43 -0.509 8.912 -13.176 325 HE1 HIS 43 HE1 HIS 43 0.243 9.214 -9.032 326 HE2 HIS 43 HE2 HIS 43 0.394 10.427 -11.255 327 H HIS 44 H HIS 44 -1.725 3.439 -10.507 328 HA HIS 44 HA HIS 44 -2.245 1.565 -12.782 329 1HB HIS 44 2HB HIS 44 -1.841 0.974 -9.835 330 2HB HIS 44 1HB HIS 44 -2.341 -0.225 -11.028 331 HD2 HIS 44 HD2 HIS 44 -0.127 1.025 -13.367 332 HE1 HIS 44 HE1 HIS 44 2.695 -0.406 -10.568 333 HE2 HIS 44 HE2 HIS 44 2.361 0.351 -12.967 334 H LEU 45 H LEU 45 -4.365 1.126 -13.209 335 HA LEU 45 HA LEU 45 -6.387 1.615 -11.087 336 1HB LEU 45 2HB LEU 45 -7.092 2.553 -13.824 337 2HB LEU 45 1HB LEU 45 -7.577 3.198 -12.254 338 HG LEU 45 HG LEU 45 -5.140 3.952 -11.986 339 1HD1 LEU 45 1HD1 LEU 45 -4.738 4.199 -14.845 340 2HD1 LEU 45 2HD1 LEU 45 -4.892 2.502 -14.390 341 3HD1 LEU 45 3HD1 LEU 45 -3.662 3.512 -13.629 342 1HD2 LEU 45 1HD2 LEU 45 -5.539 5.995 -13.276 343 2HD2 LEU 45 2HD2 LEU 45 -7.048 5.469 -12.531 344 3HD2 LEU 45 3HD2 LEU 45 -6.760 5.172 -14.246 345 H PHE 46 H PHE 46 -7.929 0.024 -11.091 346 HA PHE 46 HA PHE 46 -8.128 -1.679 -13.543 347 1HB PHE 46 2HB PHE 46 -8.845 -3.378 -11.520 348 2HB PHE 46 1HB PHE 46 -7.230 -3.297 -12.220 349 HD1 PHE 46 HD1 PHE 46 -5.753 -1.259 -11.222 350 HD2 PHE 46 HD2 PHE 46 -8.992 -3.234 -9.207 351 HE1 PHE 46 HE1 PHE 46 -4.841 -0.525 -9.036 352 HE2 PHE 46 HE2 PHE 46 -8.078 -2.502 -7.021 353 HZ PHE 46 HZ PHE 46 -6.003 -1.147 -6.935 354 H ALA 47 H ALA 47 -10.255 -2.845 -13.668 355 HA ALA 47 HA ALA 47 -12.442 -1.644 -12.085 356 1HB ALA 47 1HB ALA 47 -13.361 -0.386 -13.733 357 2HB ALA 47 2HB ALA 47 -13.046 -1.613 -14.961 358 3HB ALA 47 3HB ALA 47 -11.775 -0.481 -14.499 359 H GLU 48 H GLU 48 -14.564 -2.745 -12.659 360 HA GLU 48 HA GLU 48 -14.008 -5.604 -13.294 361 1HB GLU 48 2HB GLU 48 -16.201 -4.223 -11.738 362 2HB GLU 48 1HB GLU 48 -16.331 -5.908 -12.243 363 1HG GLU 48 2HG GLU 48 -14.422 -6.545 -10.963 364 2HG GLU 48 1HG GLU 48 -13.942 -4.866 -10.711 365 H ASP 49 H ASP 49 -16.022 -2.844 -14.184 366 HA ASP 49 HA ASP 49 -17.319 -4.478 -16.305 367 1HB ASP 49 2HB ASP 49 -17.886 -1.699 -15.235 368 2HB ASP 49 1HB ASP 49 -18.732 -2.405 -16.613 369 H PHE 50 H PHE 50 -16.087 -4.558 -18.130 370 HA PHE 50 HA PHE 50 -14.005 -2.846 -18.878 371 1HB PHE 50 2HB PHE 50 -15.414 -3.654 -21.252 372 2HB PHE 50 1HB PHE 50 -13.909 -4.297 -20.596 373 HD1 PHE 50 HD1 PHE 50 -14.102 -5.976 -18.624 374 HD2 PHE 50 HD2 PHE 50 -17.366 -4.961 -21.225 375 HE1 PHE 50 HE1 PHE 50 -15.280 -8.056 -17.958 376 HE2 PHE 50 HE2 PHE 50 -18.543 -7.040 -20.558 377 HZ PHE 50 HZ PHE 50 -17.501 -8.587 -18.927 378 H ASP 51 H ASP 51 -17.429 -2.274 -19.024 379 HA ASP 51 HA ASP 51 -17.519 -0.277 -21.047 380 1HB ASP 51 2HB ASP 51 -19.161 -0.525 -18.508 381 2HB ASP 51 1HB ASP 51 -19.560 0.525 -19.869 382 H LYS 52 H LYS 52 -17.593 0.369 -17.524 383 HA LYS 52 HA LYS 52 -16.871 3.111 -17.776 384 1HB LYS 52 2HB LYS 52 -16.554 3.088 -15.400 385 2HB LYS 52 1HB LYS 52 -17.862 1.952 -15.736 386 1HG LYS 52 2HG LYS 52 -15.966 0.169 -15.866 387 2HG LYS 52 1HG LYS 52 -15.002 1.365 -14.999 388 1HD LYS 52 2HD LYS 52 -16.533 1.397 -13.155 389 2HD LYS 52 1HD LYS 52 -17.733 0.466 -14.055 390 1HE LYS 52 2HE LYS 52 -15.497 -1.156 -14.174 391 2HE LYS 52 1HE LYS 52 -15.391 -0.468 -12.553 392 1HZ LYS 52 1HZ LYS 52 -16.984 -2.548 -13.324 393 2HZ LYS 52 2HZ LYS 52 -18.057 -1.235 -13.225 394 3HZ LYS 52 3HZ LYS 52 -17.116 -1.669 -11.880 395 H LEU 53 H LEU 53 -14.907 0.192 -17.540 396 HA LEU 53 HA LEU 53 -12.405 1.333 -16.903 397 1HB LEU 53 2HB LEU 53 -12.885 -1.122 -17.119 398 2HB LEU 53 1HB LEU 53 -12.883 -0.923 -18.871 399 HG LEU 53 HG LEU 53 -10.534 0.218 -17.485 400 1HD1 LEU 53 1HD1 LEU 53 -10.612 -1.725 -16.127 401 2HD1 LEU 53 2HD1 LEU 53 -9.517 -2.156 -17.441 402 3HD1 LEU 53 3HD1 LEU 53 -11.185 -2.731 -17.458 403 1HD2 LEU 53 1HD2 LEU 53 -9.414 -0.551 -19.439 404 2HD2 LEU 53 2HD2 LEU 53 -11.000 -0.032 -20.009 405 3HD2 LEU 53 3HD2 LEU 53 -10.665 -1.748 -19.779 406 H GLU 54 H GLU 54 -13.961 0.979 -20.094 407 HA GLU 54 HA GLU 54 -11.755 2.174 -21.533 408 1HB GLU 54 2HB GLU 54 -13.453 0.706 -22.607 409 2HB GLU 54 1HB GLU 54 -14.671 1.955 -22.343 410 1HG GLU 54 2HG GLU 54 -13.995 2.445 -24.517 411 2HG GLU 54 1HG GLU 54 -12.929 3.497 -23.585 412 H LYS 55 H LYS 55 -14.904 3.438 -20.410 413 HA LYS 55 HA LYS 55 -14.628 6.065 -21.427 414 1HB LYS 55 2HB LYS 55 -16.001 5.083 -18.908 415 2HB LYS 55 1HB LYS 55 -16.185 6.711 -19.562 416 1HG LYS 55 2HG LYS 55 -16.674 5.215 -21.788 417 2HG LYS 55 1HG LYS 55 -17.313 4.156 -20.530 418 1HD LYS 55 2HD LYS 55 -19.180 5.463 -20.881 419 2HD LYS 55 1HD LYS 55 -18.372 6.453 -19.664 420 1HE LYS 55 2HE LYS 55 -18.877 8.001 -21.367 421 2HE LYS 55 1HE LYS 55 -17.192 7.585 -21.683 422 1HZ LYS 55 1HZ LYS 55 -18.075 5.836 -23.224 423 2HZ LYS 55 2HZ LYS 55 -18.321 7.440 -23.731 424 3HZ LYS 55 3HZ LYS 55 -19.604 6.551 -23.058 425 H ALA 56 H ALA 56 -13.526 4.705 -18.319 426 HA ALA 56 HA ALA 56 -12.472 7.194 -17.323 427 1HB ALA 56 1HB ALA 56 -12.911 5.427 -15.750 428 2HB ALA 56 2HB ALA 56 -11.166 5.675 -15.769 429 3HB ALA 56 3HB ALA 56 -11.872 4.308 -16.630 430 H ALA 57 H ALA 57 -11.061 4.543 -19.218 431 HA ALA 57 HA ALA 57 -8.353 5.482 -19.083 432 1HB ALA 57 1HB ALA 57 -9.370 3.208 -19.970 433 2HB ALA 57 2HB ALA 57 -7.867 3.832 -20.647 434 3HB ALA 57 3HB ALA 57 -9.386 4.061 -21.513 435 H VAL 58 H VAL 58 -10.885 5.941 -21.574 436 HA VAL 58 HA VAL 58 -9.408 7.539 -23.359 437 HB VAL 58 HB VAL 58 -12.342 7.662 -22.610 438 1HG1 VAL 58 1HG1 VAL 58 -10.701 9.265 -24.503 439 2HG1 VAL 58 2HG1 VAL 58 -12.201 9.688 -23.676 440 3HG1 VAL 58 3HG1 VAL 58 -12.244 8.668 -25.115 441 1HG2 VAL 58 1HG2 VAL 58 -12.590 6.427 -24.755 442 2HG2 VAL 58 2HG2 VAL 58 -11.604 5.537 -23.595 443 3HG2 VAL 58 3HG2 VAL 58 -10.836 6.403 -24.926 444 H GLU 59 H GLU 59 -11.647 8.797 -20.851 445 HA GLU 59 HA GLU 59 -10.998 11.497 -21.016 446 1HB GLU 59 2HB GLU 59 -12.439 9.922 -19.248 447 2HB GLU 59 1HB GLU 59 -11.165 10.599 -18.232 448 1HG GLU 59 2HG GLU 59 -12.896 12.214 -18.147 449 2HG GLU 59 1HG GLU 59 -11.751 12.863 -19.320 450 H ALA 60 H ALA 60 -9.261 8.999 -19.144 451 HA ALA 60 HA ALA 60 -7.318 10.699 -17.972 452 1HB ALA 60 1HB ALA 60 -5.942 8.684 -17.738 453 2HB ALA 60 2HB ALA 60 -6.933 7.847 -18.933 454 3HB ALA 60 3HB ALA 60 -7.626 8.303 -17.377 455 H PHE 61 H PHE 61 -7.261 8.993 -21.109 456 HA PHE 61 HA PHE 61 -4.667 9.761 -21.926 457 1HB PHE 61 2HB PHE 61 -6.090 8.145 -23.160 458 2HB PHE 61 1HB PHE 61 -7.135 9.473 -23.666 459 HD1 PHE 61 HD1 PHE 61 -6.072 11.412 -24.976 460 HD2 PHE 61 HD2 PHE 61 -4.133 7.627 -24.372 461 HE1 PHE 61 HE1 PHE 61 -4.550 11.889 -26.875 462 HE2 PHE 61 HE2 PHE 61 -2.612 8.103 -26.271 463 HZ PHE 61 HZ PHE 61 -2.820 10.234 -27.523 464 H LYS 62 H LYS 62 -7.751 11.513 -22.209 465 HA LYS 62 HA LYS 62 -6.557 13.760 -23.616 466 1HB LYS 62 2HB LYS 62 -9.167 12.895 -23.007 467 2HB LYS 62 1HB LYS 62 -8.980 14.438 -22.174 468 1HG LYS 62 2HG LYS 62 -8.239 15.501 -24.257 469 2HG LYS 62 1HG LYS 62 -8.355 13.957 -25.103 470 1HD LYS 62 2HD LYS 62 -10.761 13.868 -24.690 471 2HD LYS 62 1HD LYS 62 -10.677 15.355 -23.743 472 1HE LYS 62 2HE LYS 62 -9.880 15.151 -26.661 473 2HE LYS 62 1HE LYS 62 -11.451 15.726 -26.100 474 1HZ LYS 62 1HZ LYS 62 -10.369 17.693 -26.189 475 2HZ LYS 62 2HZ LYS 62 -8.835 17.006 -25.941 476 3HZ LYS 62 3HZ LYS 62 -9.886 17.241 -24.626 477 H MET 63 H MET 63 -6.925 12.827 -20.279 478 HA MET 63 HA MET 63 -6.544 15.495 -19.184 479 1HB MET 63 2HB MET 63 -6.363 12.713 -18.011 480 2HB MET 63 1HB MET 63 -6.017 14.159 -17.062 481 1HG MET 63 2HG MET 63 -8.211 14.836 -17.036 482 2HG MET 63 1HG MET 63 -8.544 14.165 -18.632 483 1HE MET 63 1HE MET 63 -7.274 13.274 -15.209 484 2HE MET 63 2HE MET 63 -8.316 11.981 -14.622 485 3HE MET 63 3HE MET 63 -8.960 13.613 -14.795 486 H GLY 64 H GLY 64 -4.431 12.688 -19.776 487 1HA GLY 64 2HA GLY 64 -2.134 13.537 -20.645 488 2HA GLY 64 1HA GLY 64 -2.087 14.413 -19.114 489 H PHE 65 H PHE 65 -2.388 11.113 -20.438 490 HA PHE 65 HA PHE 65 -0.494 10.107 -18.468 491 1HB PHE 65 2HB PHE 65 -3.415 9.314 -18.266 492 2HB PHE 65 1HB PHE 65 -2.097 8.482 -17.442 493 HD1 PHE 65 HD1 PHE 65 -4.138 11.533 -17.571 494 HD2 PHE 65 HD2 PHE 65 -0.848 9.570 -15.630 495 HE1 PHE 65 HE1 PHE 65 -4.232 13.195 -15.733 496 HE2 PHE 65 HE2 PHE 65 -0.939 11.232 -13.792 497 HZ PHE 65 HZ PHE 65 -2.632 13.045 -13.844 498 H GLU 66 H GLU 66 0.674 8.932 -19.939 499 HA GLU 66 HA GLU 66 -0.348 7.734 -22.301 500 1HB GLU 66 2HB GLU 66 2.130 7.404 -20.659 501 2HB GLU 66 1HB GLU 66 1.775 6.174 -21.873 502 1HG GLU 66 2HG GLU 66 1.439 8.970 -22.781 503 2HG GLU 66 1HG GLU 66 3.097 8.493 -22.419 504 H VAL 67 H VAL 67 -2.318 6.670 -21.606 505 HA VAL 67 HA VAL 67 -2.433 4.641 -19.613 506 HB VAL 67 HB VAL 67 -4.500 5.515 -20.406 507 1HG1 VAL 67 1HG1 VAL 67 -5.168 5.290 -22.803 508 2HG1 VAL 67 2HG1 VAL 67 -3.559 4.661 -23.159 509 3HG1 VAL 67 3HG1 VAL 67 -3.751 6.317 -22.584 510 1HG2 VAL 67 1HG2 VAL 67 -4.030 2.814 -20.301 511 2HG2 VAL 67 2HG2 VAL 67 -4.725 2.986 -21.912 512 3HG2 VAL 67 3HG2 VAL 67 -5.626 3.537 -20.499 513 H LEU 68 H LEU 68 -2.037 2.439 -19.686 514 HA LEU 68 HA LEU 68 -0.891 1.383 -22.241 515 1HB LEU 68 2HB LEU 68 0.631 1.724 -20.125 516 2HB LEU 68 1HB LEU 68 -0.163 0.258 -19.551 517 HG LEU 68 HG LEU 68 0.429 -0.643 -21.961 518 1HD1 LEU 68 1HD1 LEU 68 2.068 0.451 -23.128 519 2HD1 LEU 68 2HD1 LEU 68 2.865 1.032 -21.666 520 3HD1 LEU 68 3HD1 LEU 68 1.427 1.855 -22.274 521 1HD2 LEU 68 1HD2 LEU 68 2.744 -1.278 -21.009 522 2HD2 LEU 68 2HD2 LEU 68 1.333 -1.738 -20.057 523 3HD2 LEU 68 3HD2 LEU 68 2.286 -0.326 -19.596 524 H GLU 69 H GLU 69 -1.523 -0.729 -22.832 525 HA GLU 69 HA GLU 69 -4.114 -1.584 -22.282 526 1HB GLU 69 2HB GLU 69 -2.827 -2.539 -24.117 527 2HB GLU 69 1HB GLU 69 -1.703 -3.285 -22.979 528 1HG GLU 69 2HG GLU 69 -3.167 -4.956 -22.419 529 2HG GLU 69 1HG GLU 69 -4.580 -3.914 -22.582 530 H ALA 70 H ALA 70 -4.910 -3.414 -20.995 531 HA ALA 70 HA ALA 70 -3.518 -3.548 -18.367 532 1HB ALA 70 1HB ALA 70 -5.748 -2.913 -18.000 533 2HB ALA 70 2HB ALA 70 -5.805 -4.657 -17.743 534 3HB ALA 70 3HB ALA 70 -6.358 -3.972 -19.271 535 H GLU 71 H GLU 71 -3.760 -5.766 -17.252 536 HA GLU 71 HA GLU 71 -3.568 -7.989 -19.231 537 1HB GLU 71 2HB GLU 71 -1.276 -7.495 -18.803 538 2HB GLU 71 1HB GLU 71 -1.572 -7.258 -17.080 539 1HG GLU 71 2HG GLU 71 -1.680 -9.524 -16.645 540 2HG GLU 71 1HG GLU 71 -2.265 -9.914 -18.263 541 H GLU 72 H GLU 72 -5.268 -9.259 -18.642 542 HA GLU 72 HA GLU 72 -6.750 -9.396 -16.365 543 1HB GLU 72 2HB GLU 72 -7.008 -11.867 -16.764 544 2HB GLU 72 1HB GLU 72 -7.210 -10.891 -18.220 545 1HG GLU 72 2HG GLU 72 -5.724 -12.422 -19.069 546 2HG GLU 72 1HG GLU 72 -4.555 -11.307 -18.361 547 H THR 73 H THR 73 -6.051 -9.313 -14.279 548 HA THR 73 HA THR 73 -3.832 -11.163 -13.499 549 HB THR 73 HB THR 73 -2.886 -8.988 -13.343 550 HG1 THR 73 HG1 THR 73 -3.589 -8.776 -10.791 551 1HG2 THR 73 1HG2 THR 73 -4.638 -7.530 -11.661 552 2HG2 THR 73 2HG2 THR 73 -5.628 -8.219 -12.946 553 3HG2 THR 73 3HG2 THR 73 -4.246 -7.201 -13.348 554 H GLU 74 H GLU 74 -4.504 -9.824 -10.718 555 HA GLU 74 HA GLU 74 -7.136 -10.797 -10.045 556 1HB GLU 74 2HB GLU 74 -6.543 -12.769 -8.776 557 2HB GLU 74 1HB GLU 74 -5.890 -12.961 -10.404 558 1HG GLU 74 2HG GLU 74 -3.821 -11.680 -9.165 559 2HG GLU 74 1HG GLU 74 -4.471 -12.632 -7.832 560 H ASP 75 H ASP 75 -7.730 -9.866 -8.114 561 HA ASP 75 HA ASP 75 -6.188 -7.886 -6.869 562 1HB ASP 75 2HB ASP 75 -8.560 -9.506 -6.056 563 2HB ASP 75 1HB ASP 75 -7.726 -8.601 -4.793 564 H GLU 76 H GLU 76 -7.048 -10.401 -4.618 565 HA GLU 76 HA GLU 76 -4.197 -11.174 -4.296 566 1HB GLU 76 2HB GLU 76 -4.815 -9.220 -2.758 567 2HB GLU 76 1HB GLU 76 -5.883 -10.349 -1.924 568 1HG GLU 76 2HG GLU 76 -4.142 -11.209 -0.790 569 2HG GLU 76 1HG GLU 76 -3.319 -11.596 -2.301 570 H ASP 77 H ASP 77 -6.747 -12.482 -5.213 571 HA ASP 77 HA ASP 77 -6.591 -14.809 -3.357 572 1HB ASP 77 2HB ASP 77 -9.133 -13.563 -4.447 573 2HB ASP 77 1HB ASP 77 -9.061 -15.112 -3.606 574 H GLY 78 H GLY 78 -7.928 -13.691 -6.489 575 1HA GLY 78 2HA GLY 78 -6.591 -15.155 -8.306 576 2HA GLY 78 1HA GLY 78 -7.596 -16.413 -7.588 577 H ASN 79 H ASN 79 -8.446 -13.013 -8.219 578 HA ASN 79 HA ASN 79 -10.789 -14.001 -9.763 579 1HB ASN 79 2HB ASN 79 -10.579 -12.058 -7.808 580 2HB ASN 79 1HB ASN 79 -10.593 -11.109 -9.294 581 1HD2 ASN 79 1HD2 ASN 79 -12.275 -14.192 -8.454 582 2HD2 ASN 79 2HD2 ASN 79 -13.829 -13.609 -8.809 583 H LYS 80 H LYS 80 -11.330 -12.868 -11.799 584 HA LYS 80 HA LYS 80 -8.847 -12.098 -13.261 585 1HB LYS 80 2HB LYS 80 -10.452 -14.022 -14.011 586 2HB LYS 80 1HB LYS 80 -11.482 -12.708 -14.580 587 1HG LYS 80 2HG LYS 80 -8.982 -11.966 -15.504 588 2HG LYS 80 1HG LYS 80 -8.968 -13.720 -15.699 589 1HD LYS 80 2HD LYS 80 -11.305 -13.433 -16.758 590 2HD LYS 80 1HD LYS 80 -10.896 -11.722 -16.881 591 1HE LYS 80 2HE LYS 80 -9.953 -12.308 -18.865 592 2HE LYS 80 1HE LYS 80 -8.623 -12.896 -17.868 593 1HZ LYS 80 1HZ LYS 80 -9.306 -15.055 -18.061 594 2HZ LYS 80 2HZ LYS 80 -9.779 -14.457 -19.580 595 3HZ LYS 80 3HZ LYS 80 -10.929 -14.649 -18.343 596 H LEU 81 H LEU 81 -8.651 -9.887 -13.032 597 HA LEU 81 HA LEU 81 -11.006 -8.260 -13.897 598 1HB LEU 81 2HB LEU 81 -10.197 -6.492 -12.306 599 2HB LEU 81 1HB LEU 81 -10.757 -7.957 -11.500 600 HG LEU 81 HG LEU 81 -8.085 -8.499 -11.968 601 1HD1 LEU 81 1HD1 LEU 81 -8.443 -5.578 -11.241 602 2HD1 LEU 81 2HD1 LEU 81 -7.593 -6.226 -12.644 603 3HD1 LEU 81 3HD1 LEU 81 -6.935 -6.466 -11.026 604 1HD2 LEU 81 1HD2 LEU 81 -7.852 -8.141 -9.528 605 2HD2 LEU 81 2HD2 LEU 81 -9.359 -8.972 -9.910 606 3HD2 LEU 81 3HD2 LEU 81 -9.375 -7.253 -9.519 607 H LEU 82 H LEU 82 -10.248 -6.013 -14.645 608 HA LEU 82 HA LEU 82 -7.808 -6.391 -16.310 609 1HB LEU 82 2HB LEU 82 -10.067 -4.380 -16.541 610 2HB LEU 82 1HB LEU 82 -8.715 -4.531 -17.666 611 HG LEU 82 HG LEU 82 -9.548 -7.090 -17.665 612 1HD1 LEU 82 1HD1 LEU 82 -11.825 -7.369 -17.294 613 2HD1 LEU 82 2HD1 LEU 82 -12.184 -5.664 -17.569 614 3HD1 LEU 82 3HD1 LEU 82 -11.439 -6.175 -16.054 615 1HD2 LEU 82 1HD2 LEU 82 -10.964 -6.419 -19.685 616 2HD2 LEU 82 2HD2 LEU 82 -9.295 -5.849 -19.699 617 3HD2 LEU 82 3HD2 LEU 82 -10.601 -4.745 -19.267 618 H CYS 83 H CYS 83 -6.054 -5.033 -16.092 619 HA CYS 83 HA CYS 83 -6.317 -2.702 -14.247 620 1HB CYS 83 2HB CYS 83 -5.283 -4.144 -12.753 621 2HB CYS 83 1HB CYS 83 -4.482 -5.057 -14.031 622 HG CYS 83 HG CYS 83 -3.426 -2.204 -13.843 623 H PHE 84 H PHE 84 -6.050 -1.135 -15.854 624 HA PHE 84 HA PHE 84 -3.824 -1.457 -17.780 625 1HB PHE 84 2HB PHE 84 -4.728 0.819 -18.600 626 2HB PHE 84 1HB PHE 84 -5.756 -0.593 -18.835 627 HD1 PHE 84 HD1 PHE 84 -5.542 2.685 -17.434 628 HD2 PHE 84 HD2 PHE 84 -7.484 -1.117 -16.963 629 HE1 PHE 84 HE1 PHE 84 -7.336 3.767 -16.107 630 HE2 PHE 84 HE2 PHE 84 -9.278 -0.035 -15.635 631 HZ PHE 84 HZ PHE 84 -9.204 2.408 -15.209 632 H ASP 85 H ASP 85 -2.233 0.323 -18.020 633 HA ASP 85 HA ASP 85 -1.660 1.560 -15.356 634 1HB ASP 85 2HB ASP 85 0.336 1.097 -17.581 635 2HB ASP 85 1HB ASP 85 0.667 1.453 -15.885 636 H ALA 86 H ALA 86 -0.391 3.668 -15.551 637 HA ALA 86 HA ALA 86 -1.091 5.225 -17.982 638 1HB ALA 86 1HB ALA 86 -2.800 6.229 -16.895 639 2HB ALA 86 2HB ALA 86 -1.577 7.002 -15.888 640 3HB ALA 86 3HB ALA 86 -2.338 5.502 -15.357 641 H THR 87 H THR 87 0.843 6.044 -18.621 642 HA THR 87 HA THR 87 2.886 6.664 -16.551 643 HB THR 87 HB THR 87 4.025 7.124 -19.051 644 HG1 THR 87 HG1 THR 87 3.307 5.542 -20.358 645 1HG2 THR 87 1HG2 THR 87 5.174 4.977 -18.626 646 2HG2 THR 87 2HG2 THR 87 3.964 4.577 -17.407 647 3HG2 THR 87 3HG2 THR 87 5.053 5.941 -17.154 648 H MET 88 H MET 88 3.952 8.745 -16.576 649 HA MET 88 HA MET 88 2.855 10.877 -18.273 650 1HB MET 88 2HB MET 88 1.161 10.781 -16.510 651 2HB MET 88 1HB MET 88 2.412 10.862 -15.270 652 1HG MET 88 2HG MET 88 1.563 13.083 -15.479 653 2HG MET 88 1HG MET 88 3.113 13.089 -16.316 654 1HE MET 88 1HE MET 88 1.052 15.353 -16.766 655 2HE MET 88 2HE MET 88 -0.257 14.257 -16.328 656 3HE MET 88 3HE MET 88 -0.273 15.054 -17.900 657 H GLN 89 H GLN 89 4.886 11.542 -18.918 658 HA GLN 89 HA GLN 89 7.165 11.628 -17.141 659 1HB GLN 89 2HB GLN 89 6.912 11.663 -19.834 660 2HB GLN 89 1HB GLN 89 7.131 13.388 -19.536 661 1HG GLN 89 2HG GLN 89 9.337 12.591 -19.785 662 2HG GLN 89 1HG GLN 89 9.120 12.660 -18.036 663 1HE2 GLN 89 1HE2 GLN 89 7.173 10.158 -18.998 664 2HE2 GLN 89 2HE2 GLN 89 8.263 8.868 -18.837 665 H SER 90 H SER 90 7.472 13.127 -15.565 666 HA SER 90 HA SER 90 6.831 15.949 -16.087 667 1HB SER 90 2HB SER 90 4.741 15.638 -15.180 668 2HB SER 90 1HB SER 90 5.234 14.213 -14.270 669 HG SER 90 HG SER 90 6.213 15.539 -12.772 670 H ALA 91 H ALA 91 7.829 17.363 -14.501 671 HA ALA 91 HA ALA 91 10.380 16.574 -13.613 672 1HB ALA 91 1HB ALA 91 10.427 18.808 -13.307 673 2HB ALA 91 2HB ALA 91 9.515 18.570 -11.816 674 3HB ALA 91 3HB ALA 91 8.666 18.890 -13.328 675 H LEU 92 H LEU 92 10.784 17.016 -10.988 676 HA LEU 92 HA LEU 92 9.109 14.919 -9.667 677 1HB LEU 92 2HB LEU 92 11.556 14.395 -10.006 678 2HB LEU 92 1HB LEU 92 11.932 15.747 -8.937 679 HG LEU 92 HG LEU 92 10.127 14.463 -7.397 680 1HD1 LEU 92 1HD1 LEU 92 11.626 12.132 -8.532 681 2HD1 LEU 92 2HD1 LEU 92 10.179 12.687 -9.374 682 3HD1 LEU 92 3HD1 LEU 92 10.075 12.164 -7.693 683 1HD2 LEU 92 1HD2 LEU 92 13.019 13.577 -7.576 684 2HD2 LEU 92 2HD2 LEU 92 12.004 13.631 -6.136 685 3HD2 LEU 92 3HD2 LEU 92 12.527 15.130 -6.903 686 H ASP 93 H ASP 93 7.647 15.936 -8.368 687 HA ASP 93 HA ASP 93 8.627 17.721 -6.265 688 1HB ASP 93 2HB ASP 93 8.351 19.431 -7.895 689 2HB ASP 93 1HB ASP 93 6.853 18.720 -8.500 690 H ALA 94 H ALA 94 7.515 17.097 -4.482 691 HA ALA 94 HA ALA 94 5.389 15.257 -4.459 692 1HB ALA 94 1HB ALA 94 5.508 15.478 -2.200 693 2HB ALA 94 2HB ALA 94 5.290 17.227 -2.270 694 3HB ALA 94 3HB ALA 94 6.887 16.527 -2.532 695 H LYS 95 H LYS 95 5.243 18.821 -4.340 696 HA LYS 95 HA LYS 95 2.434 19.083 -4.093 697 1HB LYS 95 2HB LYS 95 4.462 20.854 -4.241 698 2HB LYS 95 1HB LYS 95 3.840 20.999 -5.885 699 1HG LYS 95 2HG LYS 95 2.543 22.575 -4.747 700 2HG LYS 95 1HG LYS 95 1.505 21.148 -4.696 701 1HD LYS 95 2HD LYS 95 2.942 20.707 -2.462 702 2HD LYS 95 1HD LYS 95 3.018 22.469 -2.501 703 1HE LYS 95 2HE LYS 95 0.466 20.840 -2.672 704 2HE LYS 95 1HE LYS 95 1.049 21.656 -1.222 705 1HZ LYS 95 1HZ LYS 95 -0.318 23.247 -2.074 706 2HZ LYS 95 2HZ LYS 95 -0.046 22.796 -3.688 707 3HZ LYS 95 3HZ LYS 95 1.127 23.689 -2.842 708 H LEU 96 H LEU 96 4.233 19.539 -7.161 709 HA LEU 96 HA LEU 96 2.141 19.462 -8.948 710 1HB LEU 96 2HB LEU 96 4.821 19.385 -9.249 711 2HB LEU 96 1HB LEU 96 4.441 17.719 -9.682 712 HG LEU 96 HG LEU 96 4.381 19.086 -11.695 713 1HD1 LEU 96 1HD1 LEU 96 2.628 17.285 -11.303 714 2HD1 LEU 96 2HD1 LEU 96 2.183 18.521 -12.479 715 3HD1 LEU 96 3HD1 LEU 96 1.517 18.578 -10.849 716 1HD2 LEU 96 1HD2 LEU 96 3.627 21.125 -10.063 717 2HD2 LEU 96 2HD2 LEU 96 2.070 20.706 -10.777 718 3HD2 LEU 96 3HD2 LEU 96 3.421 21.160 -11.815 719 H ILE 97 H ILE 97 3.807 16.569 -7.656 720 HA ILE 97 HA ILE 97 2.104 14.669 -8.942 721 HB ILE 97 HB ILE 97 3.658 14.442 -6.345 722 1HG1 ILE 97 2HG1 ILE 97 4.445 13.266 -9.000 723 2HG1 ILE 97 1HG1 ILE 97 4.795 14.962 -8.661 724 1HG2 ILE 97 1HG2 ILE 97 2.165 12.634 -6.279 725 2HG2 ILE 97 2HG2 ILE 97 3.558 11.941 -7.107 726 3HG2 ILE 97 3HG2 ILE 97 2.149 12.458 -8.033 727 1HD1 ILE 97 1HD1 ILE 97 6.477 14.430 -7.250 728 2HD1 ILE 97 2HD1 ILE 97 6.362 12.794 -7.897 729 3HD1 ILE 97 3HD1 ILE 97 5.496 13.221 -6.422 730 H ASP 98 H ASP 98 1.605 16.725 -6.204 731 HA ASP 98 HA ASP 98 -0.463 15.130 -4.942 732 1HB ASP 98 2HB ASP 98 0.872 17.001 -3.844 733 2HB ASP 98 1HB ASP 98 -0.125 18.134 -4.758 734 H GLU 99 H GLU 99 -0.439 17.769 -7.321 735 HA GLU 99 HA GLU 99 -3.346 17.904 -7.464 736 1HB GLU 99 2HB GLU 99 -1.762 18.877 -9.769 737 2HB GLU 99 1HB GLU 99 -3.003 19.703 -8.826 738 1HG GLU 99 2HG GLU 99 -1.182 19.656 -6.925 739 2HG GLU 99 1HG GLU 99 -0.063 19.449 -8.274 740 H GLN 100 H GLN 100 -0.774 16.523 -9.520 741 HA GLN 100 HA GLN 100 -2.398 15.522 -11.599 742 1HB GLN 100 2HB GLN 100 0.135 14.412 -10.357 743 2HB GLN 100 1HB GLN 100 -0.603 13.732 -11.808 744 1HG GLN 100 2HG GLN 100 -0.150 16.682 -11.749 745 2HG GLN 100 1HG GLN 100 1.261 15.644 -11.955 746 1HE2 GLN 100 1HE2 GLN 100 -2.014 16.217 -13.333 747 2HE2 GLN 100 2HE2 GLN 100 -1.608 15.704 -14.899 748 H VAL 101 H VAL 101 -1.428 13.885 -8.563 749 HA VAL 101 HA VAL 101 -2.965 11.519 -9.011 750 HB VAL 101 HB VAL 101 -2.077 12.862 -6.442 751 1HG1 VAL 101 1HG1 VAL 101 -4.035 11.407 -6.045 752 2HG1 VAL 101 2HG1 VAL 101 -2.572 10.700 -5.360 753 3HG1 VAL 101 3HG1 VAL 101 -3.220 10.085 -6.881 754 1HG2 VAL 101 1HG2 VAL 101 -0.938 10.281 -7.292 755 2HG2 VAL 101 2HG2 VAL 101 -0.122 11.729 -6.702 756 3HG2 VAL 101 3HG2 VAL 101 -0.597 11.612 -8.397 757 H GLU 102 H GLU 102 -3.740 14.310 -6.892 758 HA GLU 102 HA GLU 102 -6.317 13.698 -6.143 759 1HB GLU 102 2HB GLU 102 -5.133 15.830 -5.584 760 2HB GLU 102 1HB GLU 102 -5.474 16.409 -7.214 761 1HG GLU 102 2HG GLU 102 -7.884 15.386 -5.962 762 2HG GLU 102 1HG GLU 102 -7.146 16.641 -4.967 763 H LYS 103 H LYS 103 -5.307 14.958 -9.312 764 HA LYS 103 HA LYS 103 -7.921 15.203 -10.435 765 1HB LYS 103 2HB LYS 103 -5.808 16.119 -11.447 766 2HB LYS 103 1HB LYS 103 -5.369 14.473 -11.902 767 1HG LYS 103 2HG LYS 103 -6.467 15.030 -13.835 768 2HG LYS 103 1HG LYS 103 -7.880 14.549 -12.894 769 1HD LYS 103 2HD LYS 103 -8.642 16.625 -13.448 770 2HD LYS 103 1HD LYS 103 -7.622 17.143 -12.106 771 1HE LYS 103 2HE LYS 103 -5.775 17.602 -13.633 772 2HE LYS 103 1HE LYS 103 -6.708 16.976 -14.992 773 1HZ LYS 103 1HZ LYS 103 -8.329 18.723 -14.653 774 2HZ LYS 103 2HZ LYS 103 -6.785 19.394 -14.883 775 3HZ LYS 103 3HZ LYS 103 -7.458 19.317 -13.325 776 H LEU 104 H LEU 104 -5.615 12.485 -10.388 777 HA LEU 104 HA LEU 104 -7.217 10.704 -11.959 778 1HB LEU 104 2HB LEU 104 -5.001 10.326 -9.956 779 2HB LEU 104 1HB LEU 104 -5.862 8.929 -10.599 780 HG LEU 104 HG LEU 104 -4.529 11.055 -12.301 781 1HD1 LEU 104 1HD1 LEU 104 -3.582 8.217 -12.079 782 2HD1 LEU 104 2HD1 LEU 104 -3.111 9.373 -10.832 783 3HD1 LEU 104 3HD1 LEU 104 -2.675 9.666 -12.515 784 1HD2 LEU 104 1HD2 LEU 104 -6.279 8.725 -12.822 785 2HD2 LEU 104 2HD2 LEU 104 -4.844 8.819 -13.842 786 3HD2 LEU 104 3HD2 LEU 104 -5.991 10.158 -13.808 787 H VAL 105 H VAL 105 -6.688 10.605 -8.413 788 HA VAL 105 HA VAL 105 -8.668 8.799 -7.710 789 HB VAL 105 HB VAL 105 -7.707 11.306 -6.333 790 1HG1 VAL 105 1HG1 VAL 105 -8.938 10.001 -4.329 791 2HG1 VAL 105 2HG1 VAL 105 -10.013 9.547 -5.652 792 3HG1 VAL 105 3HG1 VAL 105 -9.749 11.249 -5.276 793 1HG2 VAL 105 1HG2 VAL 105 -7.484 8.452 -5.393 794 2HG2 VAL 105 2HG2 VAL 105 -6.435 9.822 -5.027 795 3HG2 VAL 105 3HG2 VAL 105 -6.381 9.072 -6.622 796 H ASN 106 H ASN 106 -9.099 12.213 -8.565 797 HA ASN 106 HA ASN 106 -11.864 12.406 -7.857 798 1HB ASN 106 2HB ASN 106 -9.994 13.916 -9.628 799 2HB ASN 106 1HB ASN 106 -11.724 14.162 -9.878 800 1HD2 ASN 106 1HD2 ASN 106 -9.058 14.710 -7.645 801 2HD2 ASN 106 2HD2 ASN 106 -9.931 15.659 -6.542 802 H LEU 107 H LEU 107 -10.324 11.709 -11.013 803 HA LEU 107 HA LEU 107 -12.800 11.197 -12.375 804 1HB LEU 107 2HB LEU 107 -10.647 11.680 -13.536 805 2HB LEU 107 1HB LEU 107 -10.039 10.112 -13.006 806 HG LEU 107 HG LEU 107 -12.158 9.134 -14.128 807 1HD1 LEU 107 1HD1 LEU 107 -13.570 10.611 -15.068 808 2HD1 LEU 107 2HD1 LEU 107 -12.295 11.081 -16.190 809 3HD1 LEU 107 3HD1 LEU 107 -12.489 11.944 -14.665 810 1HD2 LEU 107 1HD2 LEU 107 -9.845 8.875 -14.986 811 2HD2 LEU 107 2HD2 LEU 107 -9.999 10.411 -15.838 812 3HD2 LEU 107 3HD2 LEU 107 -11.009 9.040 -16.301 813 H ALA 108 H ALA 108 -10.344 8.940 -11.069 814 HA ALA 108 HA ALA 108 -11.561 6.510 -11.603 815 1HB ALA 108 1HB ALA 108 -9.768 7.525 -9.501 816 2HB ALA 108 2HB ALA 108 -9.674 6.030 -10.433 817 3HB ALA 108 3HB ALA 108 -10.715 6.118 -9.011 818 H GLU 109 H GLU 109 -12.333 8.709 -8.902 819 HA GLU 109 HA GLU 109 -14.474 6.971 -7.937 820 1HB GLU 109 2HB GLU 109 -13.850 9.866 -7.269 821 2HB GLU 109 1HB GLU 109 -14.955 8.816 -6.379 822 1HG GLU 109 2HG GLU 109 -12.067 8.057 -6.820 823 2HG GLU 109 1HG GLU 109 -12.565 9.047 -5.447 824 H LYS 110 H LYS 110 -14.166 9.377 -10.368 825 HA LYS 110 HA LYS 110 -16.933 10.271 -10.338 826 1HB LYS 110 2HB LYS 110 -15.132 11.646 -11.326 827 2HB LYS 110 1HB LYS 110 -14.859 10.404 -12.548 828 1HG LYS 110 2HG LYS 110 -17.663 11.319 -12.280 829 2HG LYS 110 1HG LYS 110 -16.533 12.521 -12.906 830 1HD LYS 110 2HD LYS 110 -15.728 10.744 -14.539 831 2HD LYS 110 1HD LYS 110 -17.106 9.769 -14.027 832 1HE LYS 110 2HE LYS 110 -17.666 12.592 -14.793 833 2HE LYS 110 1HE LYS 110 -17.256 11.477 -16.096 834 1HZ LYS 110 1HZ LYS 110 -19.265 10.770 -14.052 835 2HZ LYS 110 2HZ LYS 110 -19.052 10.115 -15.606 836 3HZ LYS 110 3HZ LYS 110 -19.691 11.679 -15.419 837 H PHE 111 H PHE 111 -15.190 7.596 -11.777 838 HA PHE 111 HA PHE 111 -17.576 6.913 -13.421 839 1HB PHE 111 2HB PHE 111 -14.679 6.218 -13.518 840 2HB PHE 111 1HB PHE 111 -15.818 4.991 -14.076 841 HD1 PHE 111 HD1 PHE 111 -13.839 7.578 -15.209 842 HD2 PHE 111 HD2 PHE 111 -17.890 6.175 -15.475 843 HE1 PHE 111 HE1 PHE 111 -14.127 8.812 -17.341 844 HE2 PHE 111 HE2 PHE 111 -18.177 7.409 -17.607 845 HZ PHE 111 HZ PHE 111 -16.296 8.728 -18.539 846 H ASP 112 H ASP 112 -15.253 4.760 -11.762 847 HA ASP 112 HA ASP 112 -16.820 3.870 -9.636 848 1HB ASP 112 2HB ASP 112 -17.832 2.956 -12.248 849 2HB ASP 112 1HB ASP 112 -17.589 1.661 -11.075 850 H ILE 113 H ILE 113 -14.045 4.005 -10.584 851 HA ILE 113 HA ILE 113 -13.307 1.122 -10.267 852 HB ILE 113 HB ILE 113 -11.356 1.502 -11.583 853 1HG1 ILE 113 2HG1 ILE 113 -12.036 4.420 -11.194 854 2HG1 ILE 113 1HG1 ILE 113 -10.556 3.579 -10.732 855 1HG2 ILE 113 1HG2 ILE 113 -12.299 1.977 -13.669 856 2HG2 ILE 113 2HG2 ILE 113 -13.330 3.252 -13.021 857 3HG2 ILE 113 3HG2 ILE 113 -13.722 1.561 -12.714 858 1HD1 ILE 113 1HD1 ILE 113 -9.858 4.611 -12.691 859 2HD1 ILE 113 2HD1 ILE 113 -11.449 4.488 -13.444 860 3HD1 ILE 113 3HD1 ILE 113 -10.417 3.063 -13.322 861 H ILE 114 H ILE 114 -11.105 0.876 -9.171 862 HA ILE 114 HA ILE 114 -10.898 2.887 -6.967 863 HB ILE 114 HB ILE 114 -11.505 0.821 -5.982 864 1HG1 ILE 114 2HG1 ILE 114 -9.532 0.157 -4.718 865 2HG1 ILE 114 1HG1 ILE 114 -8.470 0.843 -5.948 866 1HG2 ILE 114 1HG2 ILE 114 -9.786 -1.170 -6.697 867 2HG2 ILE 114 2HG2 ILE 114 -9.896 -0.273 -8.212 868 3HG2 ILE 114 3HG2 ILE 114 -11.357 -0.911 -7.456 869 1HD1 ILE 114 1HD1 ILE 114 -9.150 2.213 -3.749 870 2HD1 ILE 114 2HD1 ILE 114 -10.528 2.645 -4.761 871 3HD1 ILE 114 3HD1 ILE 114 -8.889 3.013 -5.300 872 H TYR 115 H TYR 115 -9.286 4.246 -7.706 873 HA TYR 115 HA TYR 115 -6.854 3.081 -8.921 874 1HB TYR 115 2HB TYR 115 -7.350 5.008 -10.101 875 2HB TYR 115 1HB TYR 115 -8.043 5.814 -8.695 876 HD1 TYR 115 HD1 TYR 115 -4.728 4.120 -9.006 877 HD2 TYR 115 HD2 TYR 115 -6.831 7.837 -8.549 878 HE1 TYR 115 HE1 TYR 115 -2.578 5.288 -8.610 879 HE2 TYR 115 HE2 TYR 115 -4.680 9.006 -8.153 880 HH TYR 115 HH TYR 115 -2.454 8.817 -8.186 881 H ASP 116 H ASP 116 -5.324 2.369 -7.517 882 HA ASP 116 HA ASP 116 -4.322 4.157 -5.433 883 1HB ASP 116 2HB ASP 116 -4.654 2.418 -3.617 884 2HB ASP 116 1HB ASP 116 -6.132 3.217 -4.154 885 H GLY 117 H GLY 117 -2.479 3.796 -6.923 886 1HA GLY 117 2HA GLY 117 -0.546 2.023 -5.937 887 2HA GLY 117 1HA GLY 117 -1.335 1.170 -7.265 888 H TRP 118 H TRP 118 0.543 4.053 -6.444 889 HA TRP 118 HA TRP 118 1.210 4.307 -9.352 890 1HB TRP 118 2HB TRP 118 1.203 6.625 -9.190 891 2HB TRP 118 1HB TRP 118 -0.075 6.221 -8.045 892 HD1 TRP 118 HD1 TRP 118 0.392 6.576 -5.486 893 HE1 TRP 118 HE1 TRP 118 2.257 7.803 -4.196 894 HE3 TRP 118 HE3 TRP 118 3.788 7.220 -9.245 895 HZ2 TRP 118 HZ2 TRP 118 4.847 8.911 -4.694 896 HZ3 TRP 118 HZ3 TRP 118 5.944 8.362 -8.810 897 HH2 TRP 118 HH2 TRP 118 6.478 9.208 -6.541 898 H GLY 119 H GLY 119 3.430 4.765 -9.844 899 1HA GLY 119 2HA GLY 119 5.417 4.977 -7.726 900 2HA GLY 119 1HA GLY 119 5.402 3.382 -8.480 901 H THR 120 H THR 120 7.620 5.170 -8.658 902 HA THR 120 HA THR 120 7.613 5.648 -11.606 903 HB THR 120 HB THR 120 7.397 7.842 -10.623 904 HG1 THR 120 HG1 THR 120 9.197 7.293 -12.190 905 1HG2 THR 120 1HG2 THR 120 8.259 6.927 -8.343 906 2HG2 THR 120 2HG2 THR 120 8.603 8.605 -8.762 907 3HG2 THR 120 3HG2 THR 120 9.853 7.375 -8.950 908 H TYR 121 H TYR 121 9.932 5.813 -12.436 909 HA TYR 121 HA TYR 121 11.631 3.869 -10.929 910 1HB TYR 121 2HB TYR 121 11.805 4.570 -13.872 911 2HB TYR 121 1HB TYR 121 12.586 3.222 -13.045 912 HD1 TYR 121 HD1 TYR 121 11.514 1.139 -12.918 913 HD2 TYR 121 HD2 TYR 121 9.205 4.656 -13.782 914 HE1 TYR 121 HE1 TYR 121 9.516 -0.272 -13.326 915 HE2 TYR 121 HE2 TYR 121 7.208 3.245 -14.190 916 HH TYR 121 HH TYR 121 7.135 0.334 -14.931 917 H TYR 122 H TYR 122 13.978 4.273 -10.992 918 HA TYR 122 HA TYR 122 14.623 7.030 -10.457 919 1HB TYR 122 2HB TYR 122 15.875 5.244 -9.370 920 2HB TYR 122 1HB TYR 122 16.408 4.623 -10.932 921 HD1 TYR 122 HD1 TYR 122 16.360 7.876 -9.050 922 HD2 TYR 122 HD2 TYR 122 18.528 5.243 -11.661 923 HE1 TYR 122 HE1 TYR 122 18.292 9.429 -9.011 924 HE2 TYR 122 HE2 TYR 122 20.461 6.797 -11.622 925 HH TYR 122 HH TYR 122 20.255 9.943 -10.030 926 H GLU 123 H GLU 123 16.773 7.869 -11.687 927 HA GLU 123 HA GLU 123 16.022 7.878 -14.572 928 1HB GLU 123 2HB GLU 123 17.903 9.780 -13.153 929 2HB GLU 123 1HB GLU 123 17.131 10.000 -14.724 930 1HG GLU 123 2HG GLU 123 15.765 11.288 -13.327 931 2HG GLU 123 1HG GLU 123 14.902 9.751 -13.371 932 H GLY 124 H GLY 124 17.438 7.089 -16.092 933 1HA GLY 124 2HA GLY 124 19.325 5.997 -16.960 934 2HA GLY 124 1HA GLY 124 20.267 6.948 -15.810 935 H LEU 125 H LEU 125 18.778 3.861 -16.410 936 HA LEU 125 HA LEU 125 20.026 2.853 -13.884 937 1HB LEU 125 2HB LEU 125 18.111 1.030 -14.216 938 2HB LEU 125 1HB LEU 125 17.790 2.542 -13.365 939 HG LEU 125 HG LEU 125 17.465 2.504 -16.338 940 1HD1 LEU 125 1HD1 LEU 125 15.198 1.635 -16.157 941 2HD1 LEU 125 2HD1 LEU 125 15.368 1.463 -14.409 942 3HD1 LEU 125 3HD1 LEU 125 16.318 0.445 -15.492 943 1HD2 LEU 125 1HD2 LEU 125 15.921 4.246 -15.900 944 2HD2 LEU 125 2HD2 LEU 125 17.212 4.516 -14.729 945 3HD2 LEU 125 3HD2 LEU 125 15.707 3.749 -14.222 946 H GLU 126 H GLU 126 21.887 1.964 -14.776 947 HA GLU 126 HA GLU 126 22.197 0.753 -17.285 948 1HB GLU 126 2HB GLU 126 23.512 -0.090 -14.681 949 2HB GLU 126 1HB GLU 126 24.100 -0.471 -16.301 950 1HG GLU 126 2HG GLU 126 23.625 2.363 -16.115 951 2HG GLU 126 1HG GLU 126 24.644 1.856 -14.766 952 H HIS 127 H HIS 127 20.658 -0.685 -18.012 953 HA HIS 127 HA HIS 127 20.574 -3.327 -16.763 954 1HB HIS 127 2HB HIS 127 18.472 -1.349 -16.258 955 2HB HIS 127 1HB HIS 127 17.848 -2.843 -16.958 956 HD2 HIS 127 HD2 HIS 127 19.034 -5.226 -15.442 957 HE1 HIS 127 HE1 HIS 127 18.979 -3.019 -11.841 958 HE2 HIS 127 HE2 HIS 127 19.188 -5.341 -12.840 959 H HIS 128 H HIS 128 21.211 -2.032 -19.381 960 HA HIS 128 HA HIS 128 19.553 -3.845 -21.042 961 1HB HIS 128 2HB HIS 128 18.805 -1.261 -20.947 962 2HB HIS 128 1HB HIS 128 20.053 -1.141 -22.186 963 HD2 HIS 128 HD2 HIS 128 16.593 -2.987 -21.661 964 HE1 HIS 128 HE1 HIS 128 17.651 -3.239 -25.743 965 HE2 HIS 128 HE2 HIS 128 15.831 -3.726 -24.044 966 H HIS 129 H HIS 129 20.584 -3.033 -23.531 967 HA HIS 129 HA HIS 129 22.443 -3.694 -24.838 968 1HB HIS 129 2HB HIS 129 24.555 -2.335 -23.868 969 2HB HIS 129 1HB HIS 129 23.255 -1.543 -24.757 970 HD2 HIS 129 HD2 HIS 129 21.666 0.201 -23.222 971 HE1 HIS 129 HE1 HIS 129 23.576 -0.507 -19.522 972 HE2 HIS 129 HE2 HIS 129 21.870 0.933 -20.727 973 H HIS 130 H HIS 130 22.102 -5.857 -23.493 974 HA HIS 130 HA HIS 130 24.779 -6.540 -22.375 975 1HB HIS 130 2HB HIS 130 22.699 -6.149 -20.694 976 2HB HIS 130 1HB HIS 130 22.428 -7.842 -21.104 977 HD2 HIS 130 HD2 HIS 130 23.697 -9.328 -19.159 978 HE1 HIS 130 HE1 HIS 130 27.175 -6.968 -18.758 979 HE2 HIS 130 HE2 HIS 130 26.007 -9.079 -17.975 980 H HIS 131 H HIS 131 25.423 -8.688 -22.812 981 HA HIS 131 HA HIS 131 24.401 -9.914 -25.159 982 1HB HIS 131 2HB HIS 131 25.829 -11.439 -22.977 983 2HB HIS 131 1HB HIS 131 25.917 -11.686 -24.722 984 HD2 HIS 131 HD2 HIS 131 27.282 -9.431 -26.102 985 HE1 HIS 131 HE1 HIS 131 29.418 -8.331 -22.630 986 HE2 HIS 131 HE2 HIS 131 29.257 -8.023 -25.142 987 H HIS 132 HN HIS 132 24.393 -11.695 -22.083 988 HA HIS 132 HA HIS 132 21.488 -12.244 -22.484 989 1HB HIS 132 2HB HIS 132 22.499 -14.621 -21.466 990 2HB HIS 132 1HB HIS 132 22.033 -14.339 -23.144 991 HD2 HIS 132 HD2 HIS 132 24.182 -15.658 -24.383 992 HE1 HIS 132 HE1 HIS 132 27.273 -13.462 -22.523 993 HE2 HIS 132 HE2 HIS 132 26.746 -15.184 -24.310 Start of MODEL 10 1 1H MET 1 1H MET 1 -12.983 -7.055 8.210 2 2H MET 1 2H MET 1 -14.581 -7.443 7.783 3 3H MET 1 3H MET 1 -13.579 -8.617 8.494 4 HA MET 1 HA MET 1 -14.396 -8.054 10.459 5 1HB MET 1 2HB MET 1 -12.719 -5.729 9.658 6 2HB MET 1 1HB MET 1 -13.771 -5.499 11.055 7 1HG MET 1 2HG MET 1 -12.078 -7.976 10.849 8 2HG MET 1 1HG MET 1 -11.365 -6.469 11.422 9 1HE MET 1 1HE MET 1 -11.679 -7.734 14.886 10 2HE MET 1 2HE MET 1 -10.752 -6.917 13.630 11 3HE MET 1 3HE MET 1 -11.103 -8.637 13.478 12 H SER 2 H SER 2 -14.766 -4.723 9.347 13 HA SER 2 HA SER 2 -17.682 -4.970 9.851 14 1HB SER 2 2HB SER 2 -16.719 -3.102 10.983 15 2HB SER 2 1HB SER 2 -15.808 -2.614 9.557 16 HG SER 2 HG SER 2 -17.961 -1.553 10.169 17 H HIS 3 H HIS 3 -18.507 -2.813 8.183 18 HA HIS 3 HA HIS 3 -18.195 -4.109 5.510 19 1HB HIS 3 2HB HIS 3 -20.503 -3.613 6.860 20 2HB HIS 3 1HB HIS 3 -20.356 -2.123 5.927 21 HD2 HIS 3 HD2 HIS 3 -22.255 -2.803 3.952 22 HE1 HIS 3 HE1 HIS 3 -20.315 -6.299 2.593 23 HE2 HIS 3 HE2 HIS 3 -22.213 -4.679 2.140 24 H GLN 4 H GLN 4 -17.464 -2.878 3.787 25 HA GLN 4 HA GLN 4 -17.354 0.048 3.978 26 1HB GLN 4 2HB GLN 4 -14.952 0.251 3.856 27 2HB GLN 4 1HB GLN 4 -15.325 -0.775 5.242 28 1HG GLN 4 2HG GLN 4 -15.165 -2.608 3.193 29 2HG GLN 4 1HG GLN 4 -13.919 -1.442 2.747 30 1HE2 GLN 4 1HE2 GLN 4 -13.541 -4.219 3.819 31 2HE2 GLN 4 2HE2 GLN 4 -12.625 -4.039 5.236 32 H ASP 5 H ASP 5 -17.433 -2.846 2.248 33 HA ASP 5 HA ASP 5 -16.254 -2.079 -0.240 34 1HB ASP 5 2HB ASP 5 -17.190 -4.397 0.590 35 2HB ASP 5 1HB ASP 5 -18.695 -3.827 -0.132 36 H ASP 6 H ASP 6 -18.402 -0.293 1.254 37 HA ASP 6 HA ASP 6 -19.652 0.609 -1.283 38 1HB ASP 6 2HB ASP 6 -21.319 0.397 1.221 39 2HB ASP 6 1HB ASP 6 -21.858 0.578 -0.449 40 H TYR 7 H TYR 7 -19.019 1.241 2.157 41 HA TYR 7 HA TYR 7 -19.402 4.144 1.691 42 1HB TYR 7 2HB TYR 7 -19.199 2.381 4.096 43 2HB TYR 7 1HB TYR 7 -18.715 4.068 4.263 44 HD1 TYR 7 HD1 TYR 7 -21.503 1.763 3.806 45 HD2 TYR 7 HD2 TYR 7 -20.334 5.896 3.734 46 HE1 TYR 7 HE1 TYR 7 -23.886 2.439 3.920 47 HE2 TYR 7 HE2 TYR 7 -22.717 6.572 3.848 48 HH TYR 7 HH TYR 7 -25.286 4.328 3.397 49 H LEU 8 H LEU 8 -17.352 3.671 0.185 50 HA LEU 8 HA LEU 8 -14.786 3.409 1.457 51 1HB LEU 8 2HB LEU 8 -15.567 4.657 -1.197 52 2HB LEU 8 1HB LEU 8 -13.905 4.337 -0.698 53 HG LEU 8 HG LEU 8 -15.961 2.136 -0.666 54 1HD1 LEU 8 1HD1 LEU 8 -15.952 3.190 -2.936 55 2HD1 LEU 8 2HD1 LEU 8 -15.327 1.541 -2.944 56 3HD1 LEU 8 3HD1 LEU 8 -14.213 2.906 -3.023 57 1HD2 LEU 8 1HD2 LEU 8 -13.375 2.271 0.210 58 2HD2 LEU 8 2HD2 LEU 8 -13.139 1.697 -1.440 59 3HD2 LEU 8 3HD2 LEU 8 -14.154 0.782 -0.326 60 H SER 9 H SER 9 -13.298 5.594 0.559 61 HA SER 9 HA SER 9 -14.492 8.112 1.327 62 1HB SER 9 2HB SER 9 -12.660 6.739 3.312 63 2HB SER 9 1HB SER 9 -13.127 8.436 3.396 64 HG SER 9 HG SER 9 -15.159 7.866 3.862 65 H VAL 10 H VAL 10 -13.450 8.649 -0.691 66 HA VAL 10 HA VAL 10 -10.753 8.261 -1.364 67 HB VAL 10 HB VAL 10 -10.985 10.363 -2.716 68 1HG1 VAL 10 1HG1 VAL 10 -13.053 9.539 -3.982 69 2HG1 VAL 10 2HG1 VAL 10 -13.202 8.305 -2.732 70 3HG1 VAL 10 3HG1 VAL 10 -11.764 8.358 -3.752 71 1HG2 VAL 10 1HG2 VAL 10 -12.298 11.799 -1.384 72 2HG2 VAL 10 2HG2 VAL 10 -13.487 10.543 -1.041 73 3HG2 VAL 10 3HG2 VAL 10 -13.422 11.283 -2.640 74 H GLU 11 H GLU 11 -12.196 10.632 0.813 75 HA GLU 11 HA GLU 11 -10.129 12.462 1.162 76 1HB GLU 11 2HB GLU 11 -12.464 11.893 2.498 77 2HB GLU 11 1HB GLU 11 -11.246 11.498 3.710 78 1HG GLU 11 2HG GLU 11 -10.246 13.700 3.505 79 2HG GLU 11 1HG GLU 11 -11.314 14.101 2.160 80 H GLU 12 H GLU 12 -10.343 9.168 2.462 81 HA GLU 12 HA GLU 12 -7.906 9.411 4.028 82 1HB GLU 12 2HB GLU 12 -8.969 6.771 3.070 83 2HB GLU 12 1HB GLU 12 -8.264 7.188 4.633 84 1HG GLU 12 2HG GLU 12 -10.969 8.103 3.616 85 2HG GLU 12 1HG GLU 12 -10.697 6.864 4.840 86 H LEU 13 H LEU 13 -8.595 7.326 1.198 87 HA LEU 13 HA LEU 13 -6.089 6.521 0.486 88 1HB LEU 13 2HB LEU 13 -7.709 7.744 -1.716 89 2HB LEU 13 1HB LEU 13 -6.880 6.187 -1.667 90 HG LEU 13 HG LEU 13 -9.440 6.921 -0.218 91 1HD1 LEU 13 1HD1 LEU 13 -10.541 5.755 -1.838 92 2HD1 LEU 13 2HD1 LEU 13 -9.258 4.553 -1.979 93 3HD1 LEU 13 3HD1 LEU 13 -9.108 6.105 -2.804 94 1HD2 LEU 13 1HD2 LEU 13 -8.451 5.477 1.310 95 2HD2 LEU 13 2HD2 LEU 13 -7.512 4.643 0.072 96 3HD2 LEU 13 3HD2 LEU 13 -9.236 4.313 0.242 97 H ILE 14 H ILE 14 -7.371 9.797 0.021 98 HA ILE 14 HA ILE 14 -5.093 10.776 -1.452 99 HB ILE 14 HB ILE 14 -7.332 12.077 0.085 100 1HG1 ILE 14 2HG1 ILE 14 -6.515 12.586 -2.764 101 2HG1 ILE 14 1HG1 ILE 14 -7.385 11.107 -2.359 102 1HG2 ILE 14 1HG2 ILE 14 -5.807 13.731 0.557 103 2HG2 ILE 14 2HG2 ILE 14 -6.181 14.202 -1.100 104 3HG2 ILE 14 3HG2 ILE 14 -4.731 13.258 -0.758 105 1HD1 ILE 14 1HD1 ILE 14 -9.275 12.295 -1.573 106 2HD1 ILE 14 2HD1 ILE 14 -8.799 13.161 -3.034 107 3HD1 ILE 14 3HD1 ILE 14 -8.376 13.808 -1.449 108 H GLU 15 H GLU 15 -6.046 11.244 1.973 109 HA GLU 15 HA GLU 15 -3.732 12.577 2.838 110 1HB GLU 15 2HB GLU 15 -5.968 11.291 4.059 111 2HB GLU 15 1HB GLU 15 -4.515 10.709 4.872 112 1HG GLU 15 2HG GLU 15 -5.056 12.672 6.059 113 2HG GLU 15 1HG GLU 15 -3.807 13.207 4.935 114 H ILE 16 H ILE 16 -4.325 9.046 2.931 115 HA ILE 16 HA ILE 16 -1.852 8.194 3.897 116 HB ILE 16 HB ILE 16 -3.406 6.890 1.641 117 1HG1 ILE 16 2HG1 ILE 16 -3.651 6.510 4.643 118 2HG1 ILE 16 1HG1 ILE 16 -4.787 7.433 3.658 119 1HG2 ILE 16 1HG2 ILE 16 -2.001 5.283 3.686 120 2HG2 ILE 16 2HG2 ILE 16 -0.944 6.206 2.617 121 3HG2 ILE 16 3HG2 ILE 16 -2.093 5.051 1.941 122 1HD1 ILE 16 1HD1 ILE 16 -4.162 4.677 2.731 123 2HD1 ILE 16 2HD1 ILE 16 -5.690 5.555 2.697 124 3HD1 ILE 16 3HD1 ILE 16 -5.133 4.814 4.196 125 H GLN 17 H GLN 17 -2.653 8.506 0.414 126 HA GLN 17 HA GLN 17 -0.087 8.056 -0.613 127 1HB GLN 17 2HB GLN 17 -2.554 9.256 -1.558 128 2HB GLN 17 1HB GLN 17 -1.154 10.115 -2.203 129 1HG GLN 17 2HG GLN 17 -1.632 8.327 -3.736 130 2HG GLN 17 1HG GLN 17 -0.193 7.851 -2.833 131 1HE2 GLN 17 1HE2 GLN 17 -3.745 7.668 -2.168 132 2HE2 GLN 17 2HE2 GLN 17 -3.721 6.029 -1.727 133 H LYS 18 H LYS 18 -1.496 11.242 0.231 134 HA LYS 18 HA LYS 18 0.587 12.942 -0.323 135 1HB LYS 18 2HB LYS 18 -1.456 12.845 1.819 136 2HB LYS 18 1HB LYS 18 -0.072 13.891 2.140 137 1HG LYS 18 2HG LYS 18 -0.430 14.887 -0.169 138 2HG LYS 18 1HG LYS 18 -1.956 14.004 -0.227 139 1HD LYS 18 2HD LYS 18 -1.698 15.411 2.293 140 2HD LYS 18 1HD LYS 18 -1.512 16.527 0.940 141 1HE LYS 18 2HE LYS 18 -3.615 15.697 -0.043 142 2HE LYS 18 1HE LYS 18 -3.801 14.570 1.300 143 1HZ LYS 18 1HZ LYS 18 -4.147 16.292 2.799 144 2HZ LYS 18 2HZ LYS 18 -5.014 16.794 1.426 145 3HZ LYS 18 3HZ LYS 18 -3.492 17.469 1.767 146 H GLU 19 H GLU 19 0.363 10.985 2.671 147 HA GLU 19 HA GLU 19 2.987 11.797 3.587 148 1HB GLU 19 2HB GLU 19 1.150 10.947 5.080 149 2HB GLU 19 1HB GLU 19 1.413 9.339 4.403 150 1HG GLU 19 2HG GLU 19 3.802 9.473 5.125 151 2HG GLU 19 1HG GLU 19 3.447 11.016 5.903 152 H GLU 20 H GLU 20 1.764 8.760 2.131 153 HA GLU 20 HA GLU 20 4.149 7.305 2.080 154 1HB GLU 20 2HB GLU 20 1.734 6.747 1.166 155 2HB GLU 20 1HB GLU 20 2.414 7.296 -0.366 156 1HG GLU 20 2HG GLU 20 4.271 5.688 -0.122 157 2HG GLU 20 1HG GLU 20 3.589 5.133 1.408 158 H THR 21 H THR 21 2.979 9.340 -0.636 159 HA THR 21 HA THR 21 5.314 9.223 -2.193 160 HB THR 21 HB THR 21 3.675 11.746 -1.918 161 HG1 THR 21 HG1 THR 21 3.004 9.513 -3.511 162 1HG2 THR 21 1HG2 THR 21 5.653 10.709 -3.759 163 2HG2 THR 21 2HG2 THR 21 4.924 12.313 -3.700 164 3HG2 THR 21 3HG2 THR 21 4.132 11.018 -4.597 165 H ARG 22 H ARG 22 4.464 11.907 0.035 166 HA ARG 22 HA ARG 22 6.718 13.432 0.004 167 1HB ARG 22 2HB ARG 22 5.171 12.445 2.406 168 2HB ARG 22 1HB ARG 22 6.477 13.620 2.558 169 1HG ARG 22 2HG ARG 22 4.651 14.327 0.400 170 2HG ARG 22 1HG ARG 22 3.806 14.186 1.942 171 1HD ARG 22 2HD ARG 22 6.408 15.681 1.839 172 2HD ARG 22 1HD ARG 22 4.938 16.470 1.268 173 HE ARG 22 HE ARG 22 4.211 15.447 3.735 174 1HH1 ARG 22 1HH2 ARG 22 6.755 17.419 2.501 175 2HH1 ARG 22 2HH2 ARG 22 6.940 18.328 3.965 176 1HH2 ARG 22 2HH1 ARG 22 4.436 16.624 5.652 177 2HH2 ARG 22 1HH1 ARG 22 5.627 17.879 5.748 178 H ASP 23 H ASP 23 6.472 10.322 1.750 179 HA ASP 23 HA ASP 23 9.139 10.323 2.764 180 1HB ASP 23 2HB ASP 23 7.119 8.718 3.258 181 2HB ASP 23 1HB ASP 23 7.772 7.782 1.914 182 H ILE 24 H ILE 24 7.782 9.087 -0.287 183 HA ILE 24 HA ILE 24 10.244 7.969 -1.257 184 HB ILE 24 HB ILE 24 7.936 9.063 -2.890 185 1HG1 ILE 24 2HG1 ILE 24 8.350 6.343 -1.607 186 2HG1 ILE 24 1HG1 ILE 24 7.089 7.510 -1.204 187 1HG2 ILE 24 1HG2 ILE 24 8.772 7.816 -4.664 188 2HG2 ILE 24 2HG2 ILE 24 9.620 6.687 -3.606 189 3HG2 ILE 24 3HG2 ILE 24 10.274 8.303 -3.877 190 1HD1 ILE 24 1HD1 ILE 24 6.663 7.293 -3.864 191 2HD1 ILE 24 2HD1 ILE 24 5.870 6.252 -2.681 192 3HD1 ILE 24 3HD1 ILE 24 7.302 5.682 -3.537 193 H ILE 25 H ILE 25 8.587 10.905 -2.476 194 HA ILE 25 HA ILE 25 10.654 11.998 -3.955 195 HB ILE 25 HB ILE 25 8.906 13.634 -2.096 196 1HG1 ILE 25 2HG1 ILE 25 7.388 12.212 -3.246 197 2HG1 ILE 25 1HG1 ILE 25 7.412 13.695 -4.200 198 1HG2 ILE 25 1HG2 ILE 25 9.375 14.655 -4.771 199 2HG2 ILE 25 2HG2 ILE 25 10.902 14.343 -3.947 200 3HG2 ILE 25 3HG2 ILE 25 9.710 15.416 -3.217 201 1HD1 ILE 25 1HD1 ILE 25 9.251 12.596 -5.599 202 2HD1 ILE 25 2HD1 ILE 25 7.632 11.918 -5.778 203 3HD1 ILE 25 3HD1 ILE 25 8.831 11.089 -4.784 204 H GLN 26 H GLN 26 10.343 11.954 -0.440 205 HA GLN 26 HA GLN 26 12.512 13.786 0.074 206 1HB GLN 26 2HB GLN 26 11.171 11.646 1.740 207 2HB GLN 26 1HB GLN 26 12.496 12.631 2.360 208 1HG GLN 26 2HG GLN 26 10.112 13.942 1.075 209 2HG GLN 26 1HG GLN 26 10.044 13.436 2.763 210 1HE2 GLN 26 1HE2 GLN 26 10.281 15.397 3.896 211 2HE2 GLN 26 2HE2 GLN 26 11.567 16.481 3.665 212 H ALA 27 H ALA 27 12.395 10.221 0.476 213 HA ALA 27 HA ALA 27 15.102 9.744 0.897 214 1HB ALA 27 1HB ALA 27 14.359 7.692 -0.841 215 2HB ALA 27 2HB ALA 27 12.836 8.207 -0.115 216 3HB ALA 27 3HB ALA 27 14.172 7.685 0.912 217 H LEU 28 H LEU 28 13.479 9.978 -2.284 218 HA LEU 28 HA LEU 28 15.808 9.642 -3.875 219 1HB LEU 28 2HB LEU 28 13.083 10.721 -4.262 220 2HB LEU 28 1HB LEU 28 14.297 11.360 -5.371 221 HG LEU 28 HG LEU 28 14.999 8.964 -5.818 222 1HD1 LEU 28 1HD1 LEU 28 12.897 7.413 -5.299 223 2HD1 LEU 28 2HD1 LEU 28 12.679 8.556 -3.975 224 3HD1 LEU 28 3HD1 LEU 28 14.178 7.637 -4.107 225 1HD2 LEU 28 1HD2 LEU 28 13.104 10.502 -7.012 226 2HD2 LEU 28 2HD2 LEU 28 12.131 9.099 -6.571 227 3HD2 LEU 28 3HD2 LEU 28 13.555 8.900 -7.594 228 H LEU 29 H LEU 29 14.157 12.782 -3.417 229 HA LEU 29 HA LEU 29 16.074 14.527 -4.260 230 1HB LEU 29 2HB LEU 29 14.212 14.639 -1.913 231 2HB LEU 29 1HB LEU 29 15.403 15.925 -2.109 232 HG LEU 29 HG LEU 29 13.501 15.040 -4.297 233 1HD1 LEU 29 1HD1 LEU 29 12.404 16.082 -2.245 234 2HD1 LEU 29 2HD1 LEU 29 12.140 16.941 -3.763 235 3HD1 LEU 29 3HD1 LEU 29 13.324 17.543 -2.602 236 1HD2 LEU 29 1HD2 LEU 29 14.325 17.644 -4.751 237 2HD2 LEU 29 2HD2 LEU 29 15.001 16.213 -5.530 238 3HD2 LEU 29 3HD2 LEU 29 15.777 16.886 -4.096 239 H GLU 30 H GLU 30 16.043 13.176 -0.941 240 HA GLU 30 HA GLU 30 18.464 14.295 -0.047 241 1HB GLU 30 2HB GLU 30 17.008 11.745 0.598 242 2HB GLU 30 1HB GLU 30 18.594 12.050 1.308 243 1HG GLU 30 2HG GLU 30 17.770 13.603 2.730 244 2HG GLU 30 1HG GLU 30 16.832 14.381 1.455 245 H ASP 31 H ASP 31 17.940 11.320 -1.932 246 HA ASP 31 HA ASP 31 20.601 10.359 -1.927 247 1HB ASP 31 2HB ASP 31 18.295 9.504 -3.063 248 2HB ASP 31 1HB ASP 31 19.110 10.150 -4.488 249 H GLY 32 H GLY 32 19.150 13.030 -3.668 250 1HA GLY 32 2HA GLY 32 20.793 14.819 -4.326 251 2HA GLY 32 1HA GLY 32 21.803 13.521 -4.964 252 H SER 33 H SER 33 18.742 12.564 -5.623 253 HA SER 33 HA SER 33 18.989 13.187 -8.445 254 1HB SER 33 2HB SER 33 17.881 11.161 -8.067 255 2HB SER 33 1HB SER 33 16.937 11.813 -6.730 256 HG SER 33 HG SER 33 16.482 13.170 -9.027 257 H ASP 34 H ASP 34 18.561 15.197 -9.218 258 HA ASP 34 HA ASP 34 16.476 16.826 -7.838 259 1HB ASP 34 2HB ASP 34 17.683 18.510 -9.646 260 2HB ASP 34 1HB ASP 34 18.161 18.346 -7.956 261 HA PRO 35 HA PRO 35 13.645 16.420 -11.177 262 1HB PRO 35 2HB PRO 35 12.704 19.032 -11.333 263 2HB PRO 35 1HB PRO 35 12.138 17.815 -10.175 264 1HG PRO 35 2HG PRO 35 14.056 20.045 -9.792 265 2HG PRO 35 1HG PRO 35 12.868 19.366 -8.668 266 1HD PRO 35 2HD PRO 35 15.531 18.827 -8.475 267 2HD PRO 35 1HD PRO 35 14.282 17.659 -7.987 268 H ASP 36 H ASP 36 16.188 18.792 -11.364 269 HA ASP 36 HA ASP 36 15.775 19.822 -13.969 270 1HB ASP 36 2HB ASP 36 18.346 19.209 -12.483 271 2HB ASP 36 1HB ASP 36 18.281 20.112 -13.997 272 H ALA 37 H ALA 37 16.168 16.626 -13.076 273 HA ALA 37 HA ALA 37 17.367 15.905 -15.717 274 1HB ALA 37 1HB ALA 37 18.676 14.628 -14.365 275 2HB ALA 37 2HB ALA 37 17.270 13.565 -14.275 276 3HB ALA 37 3HB ALA 37 17.556 14.759 -13.008 277 H LEU 38 H LEU 38 14.455 16.542 -14.725 278 HA LEU 38 HA LEU 38 12.301 15.773 -15.251 279 1HB LEU 38 2HB LEU 38 14.081 14.789 -17.409 280 2HB LEU 38 1HB LEU 38 12.517 13.982 -17.282 281 HG LEU 38 HG LEU 38 12.652 16.983 -17.184 282 1HD1 LEU 38 1HD1 LEU 38 13.905 16.462 -19.187 283 2HD1 LEU 38 2HD1 LEU 38 12.279 16.941 -19.677 284 3HD1 LEU 38 3HD1 LEU 38 12.728 15.236 -19.659 285 1HD2 LEU 38 1HD2 LEU 38 10.622 14.926 -18.104 286 2HD2 LEU 38 2HD2 LEU 38 10.400 16.667 -18.264 287 3HD2 LEU 38 3HD2 LEU 38 10.524 15.938 -16.664 288 H TYR 39 H TYR 39 10.900 13.839 -15.144 289 HA TYR 39 HA TYR 39 12.140 11.316 -14.278 290 1HB TYR 39 2HB TYR 39 11.048 13.282 -12.390 291 2HB TYR 39 1HB TYR 39 10.309 11.688 -12.234 292 HD1 TYR 39 HD1 TYR 39 13.422 13.624 -11.944 293 HD2 TYR 39 HD2 TYR 39 11.654 9.721 -11.648 294 HE1 TYR 39 HE1 TYR 39 15.441 12.800 -10.765 295 HE2 TYR 39 HE2 TYR 39 13.674 8.896 -10.468 296 HH TYR 39 HH TYR 39 15.801 10.693 -8.995 297 H GLU 40 H GLU 40 10.657 9.566 -14.453 298 HA GLU 40 HA GLU 40 8.075 10.305 -15.762 299 1HB GLU 40 2HB GLU 40 8.196 8.309 -17.001 300 2HB GLU 40 1HB GLU 40 9.875 8.847 -16.949 301 1HG GLU 40 2HG GLU 40 9.990 7.409 -14.759 302 2HG GLU 40 1HG GLU 40 8.560 6.617 -15.422 303 H ILE 41 H ILE 41 6.153 9.398 -14.995 304 HA ILE 41 HA ILE 41 6.376 7.752 -12.506 305 HB ILE 41 HB ILE 41 4.402 9.978 -13.104 306 1HG1 ILE 41 2HG1 ILE 41 5.600 10.621 -10.760 307 2HG1 ILE 41 1HG1 ILE 41 6.925 9.762 -11.548 308 1HG2 ILE 41 1HG2 ILE 41 3.331 8.152 -11.878 309 2HG2 ILE 41 2HG2 ILE 41 3.600 9.513 -10.790 310 3HG2 ILE 41 3HG2 ILE 41 4.667 8.111 -10.728 311 1HD1 ILE 41 1HD1 ILE 41 5.380 12.108 -12.690 312 2HD1 ILE 41 2HD1 ILE 41 6.625 11.207 -13.555 313 3HD1 ILE 41 3HD1 ILE 41 7.047 12.135 -12.116 314 H GLU 42 H GLU 42 4.436 6.372 -12.134 315 HA GLU 42 HA GLU 42 2.770 5.921 -14.553 316 1HB GLU 42 2HB GLU 42 4.758 4.392 -14.667 317 2HB GLU 42 1HB GLU 42 4.245 3.685 -13.134 318 1HG GLU 42 2HG GLU 42 2.125 2.987 -14.114 319 2HG GLU 42 1HG GLU 42 2.531 3.789 -15.632 320 H HIS 43 H HIS 43 0.685 5.354 -14.029 321 HA HIS 43 HA HIS 43 0.128 4.808 -11.139 322 1HB HIS 43 2HB HIS 43 -1.684 6.103 -13.201 323 2HB HIS 43 1HB HIS 43 -2.065 5.853 -11.498 324 HD2 HIS 43 HD2 HIS 43 0.809 7.816 -13.465 325 HE1 HIS 43 HE1 HIS 43 -0.131 9.891 -9.908 326 HE2 HIS 43 HE2 HIS 43 1.294 9.924 -12.006 327 H HIS 44 H HIS 44 -1.482 3.199 -10.686 328 HA HIS 44 HA HIS 44 -2.099 1.423 -13.016 329 1HB HIS 44 2HB HIS 44 -1.692 0.609 -10.121 330 2HB HIS 44 1HB HIS 44 -1.989 -0.476 -11.479 331 HD2 HIS 44 HD2 HIS 44 0.230 1.094 -13.532 332 HE1 HIS 44 HE1 HIS 44 3.010 -0.151 -10.608 333 HE2 HIS 44 HE2 HIS 44 2.746 0.680 -12.990 334 H LEU 45 H LEU 45 -4.250 1.388 -13.452 335 HA LEU 45 HA LEU 45 -6.138 1.702 -11.150 336 1HB LEU 45 2HB LEU 45 -6.709 2.749 -13.925 337 2HB LEU 45 1HB LEU 45 -7.536 3.142 -12.418 338 HG LEU 45 HG LEU 45 -5.002 3.886 -11.783 339 1HD1 LEU 45 1HD1 LEU 45 -4.070 3.428 -13.968 340 2HD1 LEU 45 2HD1 LEU 45 -4.171 5.179 -13.784 341 3HD1 LEU 45 3HD1 LEU 45 -5.366 4.323 -14.760 342 1HD2 LEU 45 1HD2 LEU 45 -7.109 5.522 -13.230 343 2HD2 LEU 45 2HD2 LEU 45 -5.763 6.205 -12.320 344 3HD2 LEU 45 3HD2 LEU 45 -7.000 5.263 -11.489 345 H PHE 46 H PHE 46 -7.892 0.300 -11.168 346 HA PHE 46 HA PHE 46 -8.179 -1.463 -13.561 347 1HB PHE 46 2HB PHE 46 -8.894 -3.074 -11.424 348 2HB PHE 46 1HB PHE 46 -7.357 -3.146 -12.287 349 HD1 PHE 46 HD1 PHE 46 -5.482 -1.533 -11.494 350 HD2 PHE 46 HD2 PHE 46 -8.935 -2.521 -9.140 351 HE1 PHE 46 HE1 PHE 46 -4.291 -0.807 -9.443 352 HE2 PHE 46 HE2 PHE 46 -7.745 -1.795 -7.089 353 HZ PHE 46 HZ PHE 46 -5.423 -0.938 -7.240 354 H ALA 47 H ALA 47 -10.333 -2.349 -13.823 355 HA ALA 47 HA ALA 47 -12.427 -1.028 -12.157 356 1HB ALA 47 1HB ALA 47 -13.536 -0.125 -13.977 357 2HB ALA 47 2HB ALA 47 -12.899 -1.329 -15.095 358 3HB ALA 47 3HB ALA 47 -11.875 0.001 -14.553 359 H GLU 48 H GLU 48 -14.675 -2.070 -12.950 360 HA GLU 48 HA GLU 48 -14.204 -5.017 -13.185 361 1HB GLU 48 2HB GLU 48 -15.097 -3.999 -10.937 362 2HB GLU 48 1HB GLU 48 -16.622 -3.871 -11.815 363 1HG GLU 48 2HG GLU 48 -16.428 -6.302 -12.397 364 2HG GLU 48 1HG GLU 48 -15.004 -6.393 -11.361 365 H ASP 49 H ASP 49 -15.765 -2.244 -14.452 366 HA ASP 49 HA ASP 49 -17.559 -3.983 -16.098 367 1HB ASP 49 2HB ASP 49 -18.439 -2.004 -14.566 368 2HB ASP 49 1HB ASP 49 -17.923 -1.013 -15.932 369 H PHE 50 H PHE 50 -16.361 -4.417 -17.922 370 HA PHE 50 HA PHE 50 -14.303 -3.129 -19.142 371 1HB PHE 50 2HB PHE 50 -16.087 -5.044 -19.970 372 2HB PHE 50 1HB PHE 50 -16.427 -3.731 -21.097 373 HD1 PHE 50 HD1 PHE 50 -14.542 -6.587 -20.760 374 HD2 PHE 50 HD2 PHE 50 -14.066 -2.443 -21.789 375 HE1 PHE 50 HE1 PHE 50 -12.480 -7.137 -22.025 376 HE2 PHE 50 HE2 PHE 50 -12.004 -2.994 -23.054 377 HZ PHE 50 HZ PHE 50 -11.212 -5.341 -23.171 378 H ASP 51 H ASP 51 -17.714 -2.135 -19.477 379 HA ASP 51 HA ASP 51 -17.249 0.055 -21.241 380 1HB ASP 51 2HB ASP 51 -19.474 -1.081 -20.145 381 2HB ASP 51 1HB ASP 51 -19.375 0.413 -19.213 382 H LYS 52 H LYS 52 -17.593 0.053 -17.673 383 HA LYS 52 HA LYS 52 -16.942 2.826 -17.365 384 1HB LYS 52 2HB LYS 52 -18.012 1.227 -15.651 385 2HB LYS 52 1HB LYS 52 -16.367 0.698 -15.299 386 1HG LYS 52 2HG LYS 52 -16.565 2.415 -13.760 387 2HG LYS 52 1HG LYS 52 -15.928 3.315 -15.137 388 1HD LYS 52 2HD LYS 52 -17.861 4.491 -14.193 389 2HD LYS 52 1HD LYS 52 -18.251 3.892 -15.805 390 1HE LYS 52 2HE LYS 52 -19.844 2.487 -15.018 391 2HE LYS 52 1HE LYS 52 -18.828 1.952 -13.679 392 1HZ LYS 52 1HZ LYS 52 -20.450 4.433 -13.820 393 2HZ LYS 52 2HZ LYS 52 -19.327 4.105 -12.586 394 3HZ LYS 52 3HZ LYS 52 -20.688 3.109 -12.787 395 H LEU 53 H LEU 53 -15.002 0.090 -18.094 396 HA LEU 53 HA LEU 53 -12.519 1.171 -16.990 397 1HB LEU 53 2HB LEU 53 -12.972 -1.290 -17.325 398 2HB LEU 53 1HB LEU 53 -12.862 -1.013 -19.064 399 HG LEU 53 HG LEU 53 -10.618 0.152 -17.585 400 1HD1 LEU 53 1HD1 LEU 53 -9.605 -2.251 -17.375 401 2HD1 LEU 53 2HD1 LEU 53 -11.290 -2.771 -17.320 402 3HD1 LEU 53 3HD1 LEU 53 -10.669 -1.662 -16.098 403 1HD2 LEU 53 1HD2 LEU 53 -11.018 -0.375 -20.127 404 2HD2 LEU 53 2HD2 LEU 53 -10.482 -1.997 -19.687 405 3HD2 LEU 53 3HD2 LEU 53 -9.412 -0.616 -19.442 406 H GLU 54 H GLU 54 -13.596 0.517 -20.351 407 HA GLU 54 HA GLU 54 -11.528 2.035 -21.585 408 1HB GLU 54 2HB GLU 54 -14.086 0.824 -22.405 409 2HB GLU 54 1HB GLU 54 -13.626 2.241 -23.350 410 1HG GLU 54 2HG GLU 54 -11.545 1.267 -23.987 411 2HG GLU 54 1HG GLU 54 -11.690 -0.009 -22.780 412 H LYS 55 H LYS 55 -14.369 3.034 -19.902 413 HA LYS 55 HA LYS 55 -14.534 5.657 -21.193 414 1HB LYS 55 2HB LYS 55 -16.043 4.152 -19.178 415 2HB LYS 55 1HB LYS 55 -15.892 5.866 -18.789 416 1HG LYS 55 2HG LYS 55 -16.759 6.475 -20.996 417 2HG LYS 55 1HG LYS 55 -16.843 4.774 -21.454 418 1HD LYS 55 2HD LYS 55 -18.556 4.327 -19.846 419 2HD LYS 55 1HD LYS 55 -18.315 5.885 -19.057 420 1HE LYS 55 2HE LYS 55 -18.947 6.930 -21.330 421 2HE LYS 55 1HE LYS 55 -19.550 5.329 -21.754 422 1HZ LYS 55 1HZ LYS 55 -21.197 6.921 -20.730 423 2HZ LYS 55 2HZ LYS 55 -20.359 6.713 -19.267 424 3HZ LYS 55 3HZ LYS 55 -21.103 5.384 -20.020 425 H ALA 56 H ALA 56 -13.496 4.467 -17.978 426 HA ALA 56 HA ALA 56 -12.517 7.047 -17.129 427 1HB ALA 56 1HB ALA 56 -11.095 4.993 -15.770 428 2HB ALA 56 2HB ALA 56 -12.738 4.402 -16.024 429 3HB ALA 56 3HB ALA 56 -12.469 5.926 -15.177 430 H ALA 57 H ALA 57 -11.109 4.329 -18.869 431 HA ALA 57 HA ALA 57 -8.365 5.161 -18.640 432 1HB ALA 57 1HB ALA 57 -8.396 3.014 -19.437 433 2HB ALA 57 2HB ALA 57 -8.398 3.829 -21.001 434 3HB ALA 57 3HB ALA 57 -9.912 3.251 -20.306 435 H VAL 58 H VAL 58 -10.633 5.471 -21.407 436 HA VAL 58 HA VAL 58 -9.057 7.109 -23.036 437 HB VAL 58 HB VAL 58 -12.044 7.044 -22.583 438 1HG1 VAL 58 1HG1 VAL 58 -10.385 8.906 -24.245 439 2HG1 VAL 58 2HG1 VAL 58 -11.886 9.221 -23.373 440 3HG1 VAL 58 3HG1 VAL 58 -11.922 8.336 -24.898 441 1HG2 VAL 58 1HG2 VAL 58 -10.266 6.205 -24.898 442 2HG2 VAL 58 2HG2 VAL 58 -12.014 5.987 -24.808 443 3HG2 VAL 58 3HG2 VAL 58 -10.957 5.111 -23.700 444 H GLU 59 H GLU 59 -11.438 8.236 -20.605 445 HA GLU 59 HA GLU 59 -10.994 10.979 -20.760 446 1HB GLU 59 2HB GLU 59 -11.308 9.391 -18.193 447 2HB GLU 59 1HB GLU 59 -11.656 11.107 -18.404 448 1HG GLU 59 2HG GLU 59 -12.992 9.212 -20.277 449 2HG GLU 59 1HG GLU 59 -13.567 9.232 -18.610 450 H ALA 60 H ALA 60 -9.067 8.591 -18.939 451 HA ALA 60 HA ALA 60 -7.228 10.425 -17.782 452 1HB ALA 60 1HB ALA 60 -7.452 7.944 -17.264 453 2HB ALA 60 2HB ALA 60 -5.795 8.530 -17.419 454 3HB ALA 60 3HB ALA 60 -6.542 7.635 -18.743 455 H PHE 61 H PHE 61 -7.349 8.944 -20.988 456 HA PHE 61 HA PHE 61 -4.727 9.828 -21.814 457 1HB PHE 61 2HB PHE 61 -5.490 8.162 -23.225 458 2HB PHE 61 1HB PHE 61 -7.159 8.728 -23.162 459 HD1 PHE 61 HD1 PHE 61 -7.914 10.602 -24.565 460 HD2 PHE 61 HD2 PHE 61 -3.892 9.112 -24.797 461 HE1 PHE 61 HE1 PHE 61 -7.585 11.822 -26.698 462 HE2 PHE 61 HE2 PHE 61 -3.563 10.333 -26.931 463 HZ PHE 61 HZ PHE 61 -5.410 11.689 -27.881 464 H LYS 62 H LYS 62 -7.995 11.200 -22.092 465 HA LYS 62 HA LYS 62 -7.346 13.420 -23.743 466 1HB LYS 62 2HB LYS 62 -9.531 12.670 -21.918 467 2HB LYS 62 1HB LYS 62 -9.280 14.411 -22.048 468 1HG LYS 62 2HG LYS 62 -9.364 14.220 -24.522 469 2HG LYS 62 1HG LYS 62 -9.686 12.493 -24.362 470 1HD LYS 62 2HD LYS 62 -11.864 12.844 -23.878 471 2HD LYS 62 1HD LYS 62 -11.476 14.111 -22.713 472 1HE LYS 62 2HE LYS 62 -12.798 14.991 -24.620 473 2HE LYS 62 1HE LYS 62 -11.199 15.731 -24.533 474 1HZ LYS 62 1HZ LYS 62 -10.515 13.873 -26.121 475 2HZ LYS 62 2HZ LYS 62 -11.435 15.155 -26.753 476 3HZ LYS 62 3HZ LYS 62 -12.175 13.665 -26.403 477 H MET 63 H MET 63 -7.013 12.943 -20.251 478 HA MET 63 HA MET 63 -6.367 15.665 -19.612 479 1HB MET 63 2HB MET 63 -6.163 13.027 -18.281 480 2HB MET 63 1HB MET 63 -5.016 14.245 -17.721 481 1HG MET 63 2HG MET 63 -7.090 14.366 -16.408 482 2HG MET 63 1HG MET 63 -6.889 15.830 -17.371 483 1HE MET 63 1HE MET 63 -10.042 12.609 -17.557 484 2HE MET 63 2HE MET 63 -9.599 13.607 -16.175 485 3HE MET 63 3HE MET 63 -8.418 12.494 -16.863 486 H GLY 64 H GLY 64 -4.167 12.843 -19.927 487 1HA GLY 64 2HA GLY 64 -2.292 13.822 -21.674 488 2HA GLY 64 1HA GLY 64 -1.857 14.625 -20.164 489 H PHE 65 H PHE 65 -3.302 11.602 -19.629 490 HA PHE 65 HA PHE 65 -0.671 10.486 -18.856 491 1HB PHE 65 2HB PHE 65 -3.527 9.629 -18.331 492 2HB PHE 65 1HB PHE 65 -2.134 8.656 -17.857 493 HD1 PHE 65 HD1 PHE 65 -0.800 9.230 -15.961 494 HD2 PHE 65 HD2 PHE 65 -3.785 11.957 -17.412 495 HE1 PHE 65 HE1 PHE 65 -0.515 10.622 -13.929 496 HE2 PHE 65 HE2 PHE 65 -3.502 13.349 -15.379 497 HZ PHE 65 HZ PHE 65 -1.867 12.682 -13.638 498 H GLU 66 H GLU 66 0.264 8.744 -19.900 499 HA GLU 66 HA GLU 66 -0.932 7.956 -22.476 500 1HB GLU 66 2HB GLU 66 1.712 8.157 -21.430 501 2HB GLU 66 1HB GLU 66 1.445 6.466 -21.855 502 1HG GLU 66 2HG GLU 66 0.991 8.853 -23.671 503 2HG GLU 66 1HG GLU 66 2.309 7.689 -23.796 504 H VAL 67 H VAL 67 -2.759 6.760 -21.603 505 HA VAL 67 HA VAL 67 -2.671 4.659 -19.748 506 HB VAL 67 HB VAL 67 -4.817 5.281 -20.513 507 1HG1 VAL 67 1HG1 VAL 67 -5.418 5.104 -22.961 508 2HG1 VAL 67 2HG1 VAL 67 -3.712 4.804 -23.294 509 3HG1 VAL 67 3HG1 VAL 67 -4.217 6.343 -22.597 510 1HG2 VAL 67 1HG2 VAL 67 -4.365 2.763 -20.302 511 2HG2 VAL 67 2HG2 VAL 67 -4.320 2.732 -22.064 512 3HG2 VAL 67 3HG2 VAL 67 -5.793 3.225 -21.229 513 H LEU 68 H LEU 68 -2.354 2.385 -19.968 514 HA LEU 68 HA LEU 68 -0.969 1.542 -22.480 515 1HB LEU 68 2HB LEU 68 0.130 1.715 -19.841 516 2HB LEU 68 1HB LEU 68 0.006 0.009 -20.273 517 HG LEU 68 HG LEU 68 1.189 2.069 -22.145 518 1HD1 LEU 68 1HD1 LEU 68 3.343 0.703 -21.259 519 2HD1 LEU 68 2HD1 LEU 68 2.367 0.685 -19.791 520 3HD1 LEU 68 3HD1 LEU 68 2.814 2.221 -20.533 521 1HD2 LEU 68 1HD2 LEU 68 0.355 -0.203 -22.965 522 2HD2 LEU 68 2HD2 LEU 68 1.629 -0.922 -21.980 523 3HD2 LEU 68 3HD2 LEU 68 2.047 0.157 -23.310 524 H GLU 69 H GLU 69 -1.533 -0.510 -23.216 525 HA GLU 69 HA GLU 69 -4.001 -1.614 -22.765 526 1HB GLU 69 2HB GLU 69 -2.080 -2.362 -24.380 527 2HB GLU 69 1HB GLU 69 -1.673 -3.490 -23.087 528 1HG GLU 69 2HG GLU 69 -4.373 -3.841 -23.232 529 2HG GLU 69 1HG GLU 69 -3.996 -3.481 -24.917 530 H ALA 70 H ALA 70 -4.934 -3.084 -21.325 531 HA ALA 70 HA ALA 70 -3.516 -3.361 -18.736 532 1HB ALA 70 1HB ALA 70 -5.724 -4.037 -17.862 533 2HB ALA 70 2HB ALA 70 -6.387 -3.986 -19.495 534 3HB ALA 70 3HB ALA 70 -5.837 -2.502 -18.721 535 H GLU 71 H GLU 71 -4.239 -5.613 -17.628 536 HA GLU 71 HA GLU 71 -4.175 -7.848 -19.550 537 1HB GLU 71 2HB GLU 71 -1.774 -7.151 -19.188 538 2HB GLU 71 1HB GLU 71 -1.978 -7.556 -17.483 539 1HG GLU 71 2HG GLU 71 -2.815 -9.855 -18.351 540 2HG GLU 71 1HG GLU 71 -2.052 -9.392 -19.872 541 H GLU 72 H GLU 72 -5.693 -9.209 -18.743 542 HA GLU 72 HA GLU 72 -6.958 -9.109 -16.282 543 1HB GLU 72 2HB GLU 72 -6.605 -11.137 -18.361 544 2HB GLU 72 1HB GLU 72 -6.816 -11.847 -16.759 545 1HG GLU 72 2HG GLU 72 -8.850 -10.488 -16.422 546 2HG GLU 72 1HG GLU 72 -8.645 -9.786 -18.027 547 H THR 73 H THR 73 -5.700 -8.782 -14.452 548 HA THR 73 HA THR 73 -3.599 -10.830 -13.881 549 HB THR 73 HB THR 73 -2.850 -8.446 -13.930 550 HG1 THR 73 HG1 THR 73 -2.162 -8.564 -11.561 551 1HG2 THR 73 1HG2 THR 73 -4.487 -8.066 -11.426 552 2HG2 THR 73 2HG2 THR 73 -5.133 -7.658 -13.016 553 3HG2 THR 73 3HG2 THR 73 -3.691 -6.841 -12.415 554 H GLU 74 H GLU 74 -3.493 -10.320 -11.073 555 HA GLU 74 HA GLU 74 -6.224 -11.072 -10.146 556 1HB GLU 74 2HB GLU 74 -3.848 -12.771 -10.214 557 2HB GLU 74 1HB GLU 74 -4.518 -12.622 -8.588 558 1HG GLU 74 2HG GLU 74 -5.567 -14.503 -9.776 559 2HG GLU 74 1HG GLU 74 -6.752 -13.233 -9.464 560 H ASP 75 H ASP 75 -6.702 -10.340 -8.066 561 HA ASP 75 HA ASP 75 -4.581 -8.667 -6.783 562 1HB ASP 75 2HB ASP 75 -6.895 -7.713 -7.708 563 2HB ASP 75 1HB ASP 75 -7.478 -8.288 -6.146 564 H GLU 76 H GLU 76 -4.612 -11.400 -6.227 565 HA GLU 76 HA GLU 76 -4.690 -12.894 -4.420 566 1HB GLU 76 2HB GLU 76 -5.010 -10.296 -2.886 567 2HB GLU 76 1HB GLU 76 -4.635 -11.860 -2.160 568 1HG GLU 76 2HG GLU 76 -2.459 -11.722 -2.753 569 2HG GLU 76 1HG GLU 76 -2.863 -11.220 -4.396 570 H ASP 77 H ASP 77 -7.279 -11.302 -5.547 571 HA ASP 77 HA ASP 77 -9.135 -12.443 -3.498 572 1HB ASP 77 2HB ASP 77 -9.155 -9.971 -5.089 573 2HB ASP 77 1HB ASP 77 -10.683 -10.850 -5.135 574 H GLY 78 H GLY 78 -7.882 -12.911 -6.598 575 1HA GLY 78 2HA GLY 78 -8.495 -14.346 -8.350 576 2HA GLY 78 1HA GLY 78 -9.444 -15.214 -7.142 577 H ASN 79 H ASN 79 -9.547 -12.509 -9.432 578 HA ASN 79 HA ASN 79 -12.431 -13.010 -9.804 579 1HB ASN 79 2HB ASN 79 -11.340 -10.687 -8.357 580 2HB ASN 79 1HB ASN 79 -12.443 -10.262 -9.667 581 1HD2 ASN 79 1HD2 ASN 79 -14.624 -11.422 -9.628 582 2HD2 ASN 79 2HD2 ASN 79 -15.280 -11.839 -8.119 583 H LYS 80 H LYS 80 -9.566 -12.729 -11.180 584 HA LYS 80 HA LYS 80 -8.749 -11.873 -13.234 585 1HB LYS 80 2HB LYS 80 -11.576 -12.727 -13.929 586 2HB LYS 80 1HB LYS 80 -10.304 -12.416 -15.109 587 1HG LYS 80 2HG LYS 80 -9.564 -14.520 -14.846 588 2HG LYS 80 1HG LYS 80 -9.213 -14.172 -13.153 589 1HD LYS 80 2HD LYS 80 -11.366 -14.901 -12.445 590 2HD LYS 80 1HD LYS 80 -11.995 -14.889 -14.093 591 1HE LYS 80 2HE LYS 80 -11.534 -17.112 -14.071 592 2HE LYS 80 1HE LYS 80 -9.862 -16.612 -14.319 593 1HZ LYS 80 1HZ LYS 80 -10.205 -16.351 -11.645 594 2HZ LYS 80 2HZ LYS 80 -9.464 -17.669 -12.417 595 3HZ LYS 80 3HZ LYS 80 -11.108 -17.743 -11.994 596 H LEU 81 H LEU 81 -8.745 -9.618 -12.350 597 HA LEU 81 HA LEU 81 -10.981 -7.940 -13.375 598 1HB LEU 81 2HB LEU 81 -9.819 -6.140 -11.999 599 2HB LEU 81 1HB LEU 81 -10.486 -7.486 -11.072 600 HG LEU 81 HG LEU 81 -7.687 -7.792 -12.035 601 1HD1 LEU 81 1HD1 LEU 81 -8.492 -5.909 -9.797 602 2HD1 LEU 81 2HD1 LEU 81 -7.636 -5.476 -11.278 603 3HD1 LEU 81 3HD1 LEU 81 -6.850 -6.492 -10.070 604 1HD2 LEU 81 1HD2 LEU 81 -7.495 -9.144 -10.142 605 2HD2 LEU 81 2HD2 LEU 81 -9.204 -9.340 -10.530 606 3HD2 LEU 81 3HD2 LEU 81 -8.713 -8.236 -9.246 607 H LEU 82 H LEU 82 -10.280 -5.805 -14.359 608 HA LEU 82 HA LEU 82 -7.976 -6.300 -16.189 609 1HB LEU 82 2HB LEU 82 -10.467 -4.604 -16.424 610 2HB LEU 82 1HB LEU 82 -9.094 -4.397 -17.513 611 HG LEU 82 HG LEU 82 -9.268 -6.965 -17.865 612 1HD1 LEU 82 1HD1 LEU 82 -10.823 -7.440 -16.049 613 2HD1 LEU 82 2HD1 LEU 82 -11.611 -7.799 -17.586 614 3HD1 LEU 82 3HD1 LEU 82 -12.000 -6.312 -16.722 615 1HD2 LEU 82 1HD2 LEU 82 -11.509 -5.200 -18.900 616 2HD2 LEU 82 2HD2 LEU 82 -10.849 -6.636 -19.684 617 3HD2 LEU 82 3HD2 LEU 82 -9.863 -5.182 -19.532 618 H CYS 83 H CYS 83 -6.179 -5.054 -15.935 619 HA CYS 83 HA CYS 83 -6.465 -2.505 -14.401 620 1HB CYS 83 2HB CYS 83 -5.389 -4.041 -12.916 621 2HB CYS 83 1HB CYS 83 -4.332 -4.638 -14.194 622 HG CYS 83 HG CYS 83 -3.483 -2.512 -12.442 623 H PHE 84 H PHE 84 -6.061 -0.871 -15.814 624 HA PHE 84 HA PHE 84 -4.120 -1.332 -18.016 625 1HB PHE 84 2HB PHE 84 -4.981 1.070 -18.640 626 2HB PHE 84 1HB PHE 84 -6.020 -0.323 -18.935 627 HD1 PHE 84 HD1 PHE 84 -7.525 -1.028 -16.835 628 HD2 PHE 84 HD2 PHE 84 -5.885 2.885 -17.504 629 HE1 PHE 84 HE1 PHE 84 -9.257 -0.050 -15.355 630 HE2 PHE 84 HE2 PHE 84 -7.617 3.863 -16.024 631 HZ PHE 84 HZ PHE 84 -9.303 2.397 -14.949 632 H ASP 85 H ASP 85 -2.373 0.214 -18.348 633 HA ASP 85 HA ASP 85 -1.525 1.462 -15.767 634 1HB ASP 85 2HB ASP 85 0.031 0.362 -18.110 635 2HB ASP 85 1HB ASP 85 0.781 1.400 -16.898 636 H ALA 86 H ALA 86 -0.676 3.585 -15.786 637 HA ALA 86 HA ALA 86 -1.068 5.121 -18.318 638 1HB ALA 86 1HB ALA 86 -2.557 6.527 -17.352 639 2HB ALA 86 2HB ALA 86 -1.576 6.673 -15.894 640 3HB ALA 86 3HB ALA 86 -2.701 5.327 -16.069 641 H THR 87 H THR 87 0.719 6.322 -18.823 642 HA THR 87 HA THR 87 2.771 6.657 -16.675 643 HB THR 87 HB THR 87 3.955 7.203 -19.167 644 HG1 THR 87 HG1 THR 87 3.260 5.657 -20.492 645 1HG2 THR 87 1HG2 THR 87 3.960 4.847 -17.284 646 2HG2 THR 87 2HG2 THR 87 5.184 6.103 -17.471 647 3HG2 THR 87 3HG2 THR 87 4.978 4.879 -18.724 648 H MET 88 H MET 88 3.941 8.687 -16.626 649 HA MET 88 HA MET 88 2.855 10.939 -18.191 650 1HB MET 88 2HB MET 88 1.356 10.747 -16.197 651 2HB MET 88 1HB MET 88 2.766 10.948 -15.158 652 1HG MET 88 2HG MET 88 3.215 13.146 -16.166 653 2HG MET 88 1HG MET 88 1.828 12.947 -17.237 654 1HE MET 88 1HE MET 88 0.220 14.885 -16.577 655 2HE MET 88 2HE MET 88 -1.019 14.251 -15.497 656 3HE MET 88 3HE MET 88 -0.401 13.244 -16.804 657 H GLN 89 H GLN 89 4.641 12.048 -18.823 658 HA GLN 89 HA GLN 89 7.130 11.778 -17.236 659 1HB GLN 89 2HB GLN 89 6.783 13.216 -19.876 660 2HB GLN 89 1HB GLN 89 8.275 12.592 -19.173 661 1HG GLN 89 2HG GLN 89 6.450 10.416 -19.311 662 2HG GLN 89 1HG GLN 89 6.397 11.235 -20.872 663 1HE2 GLN 89 1HE2 GLN 89 9.024 10.483 -18.495 664 2HE2 GLN 89 2HE2 GLN 89 10.082 9.842 -19.656 665 H SER 90 H SER 90 7.807 13.388 -15.906 666 HA SER 90 HA SER 90 7.315 16.194 -16.494 667 1HB SER 90 2HB SER 90 5.190 16.036 -15.564 668 2HB SER 90 1HB SER 90 5.651 14.734 -14.472 669 HG SER 90 HG SER 90 6.637 16.188 -13.157 670 H ALA 91 H ALA 91 8.024 17.503 -14.380 671 HA ALA 91 HA ALA 91 10.701 16.588 -13.757 672 1HB ALA 91 1HB ALA 91 9.045 18.858 -12.616 673 2HB ALA 91 2HB ALA 91 10.235 18.976 -13.911 674 3HB ALA 91 3HB ALA 91 10.754 18.598 -12.268 675 H LEU 92 H LEU 92 11.352 16.698 -11.278 676 HA LEU 92 HA LEU 92 9.604 14.726 -9.914 677 1HB LEU 92 2HB LEU 92 12.069 14.297 -10.162 678 2HB LEU 92 1HB LEU 92 12.368 15.692 -9.124 679 HG LEU 92 HG LEU 92 10.643 14.432 -7.534 680 1HD1 LEU 92 1HD1 LEU 92 11.181 11.942 -7.703 681 2HD1 LEU 92 2HD1 LEU 92 11.806 12.280 -9.316 682 3HD1 LEU 92 3HD1 LEU 92 10.107 12.578 -8.949 683 1HD2 LEU 92 1HD2 LEU 92 12.620 13.315 -6.465 684 2HD2 LEU 92 2HD2 LEU 92 12.922 15.000 -6.889 685 3HD2 LEU 92 3HD2 LEU 92 13.567 13.706 -7.900 686 H ASP 93 H ASP 93 7.990 15.820 -8.831 687 HA ASP 93 HA ASP 93 8.853 17.656 -6.676 688 1HB ASP 93 2HB ASP 93 8.116 18.853 -8.946 689 2HB ASP 93 1HB ASP 93 6.504 18.549 -8.295 690 H ALA 94 H ALA 94 7.559 17.440 -4.863 691 HA ALA 94 HA ALA 94 5.606 15.267 -4.882 692 1HB ALA 94 1HB ALA 94 5.407 15.777 -2.454 693 2HB ALA 94 2HB ALA 94 6.457 17.175 -2.684 694 3HB ALA 94 3HB ALA 94 7.083 15.549 -2.953 695 H LYS 95 H LYS 95 5.482 18.797 -4.326 696 HA LYS 95 HA LYS 95 2.755 19.063 -3.735 697 1HB LYS 95 2HB LYS 95 4.694 20.853 -4.039 698 2HB LYS 95 1HB LYS 95 3.985 21.014 -5.646 699 1HG LYS 95 2HG LYS 95 1.748 21.352 -4.568 700 2HG LYS 95 1HG LYS 95 2.550 21.344 -2.997 701 1HD LYS 95 2HD LYS 95 3.613 23.185 -5.098 702 2HD LYS 95 1HD LYS 95 2.102 23.624 -4.300 703 1HE LYS 95 2HE LYS 95 3.120 24.010 -2.292 704 2HE LYS 95 1HE LYS 95 4.266 22.686 -2.506 705 1HZ LYS 95 1HZ LYS 95 4.385 25.330 -3.851 706 2HZ LYS 95 2HZ LYS 95 5.472 24.050 -4.107 707 3HZ LYS 95 3HZ LYS 95 5.390 24.809 -2.589 708 H LEU 96 H LEU 96 4.249 19.095 -6.991 709 HA LEU 96 HA LEU 96 1.774 19.236 -8.414 710 1HB LEU 96 2HB LEU 96 4.345 19.412 -9.179 711 2HB LEU 96 1HB LEU 96 4.046 17.731 -9.623 712 HG LEU 96 HG LEU 96 1.868 18.667 -10.719 713 1HD1 LEU 96 1HD1 LEU 96 2.901 21.030 -9.649 714 2HD1 LEU 96 2HD1 LEU 96 1.614 20.909 -10.849 715 3HD1 LEU 96 3HD1 LEU 96 3.285 21.133 -11.367 716 1HD2 LEU 96 1HD2 LEU 96 3.702 17.700 -12.009 717 2HD2 LEU 96 2HD2 LEU 96 4.636 19.188 -11.847 718 3HD2 LEU 96 3HD2 LEU 96 3.155 19.176 -12.805 719 H ILE 97 H ILE 97 3.852 16.409 -7.687 720 HA ILE 97 HA ILE 97 2.220 14.413 -8.796 721 HB ILE 97 HB ILE 97 4.020 14.411 -6.369 722 1HG1 ILE 97 2HG1 ILE 97 4.273 12.953 -9.011 723 2HG1 ILE 97 1HG1 ILE 97 4.891 14.587 -8.771 724 1HG2 ILE 97 1HG2 ILE 97 2.840 12.585 -5.691 725 2HG2 ILE 97 2HG2 ILE 97 3.690 11.770 -7.003 726 3HG2 ILE 97 3HG2 ILE 97 2.060 12.388 -7.260 727 1HD1 ILE 97 1HD1 ILE 97 5.982 13.454 -6.611 728 2HD1 ILE 97 2HD1 ILE 97 6.777 13.394 -8.184 729 3HD1 ILE 97 3HD1 ILE 97 5.849 12.008 -7.611 730 H ASP 98 H ASP 98 1.799 16.233 -5.823 731 HA ASP 98 HA ASP 98 -0.216 14.510 -4.676 732 1HB ASP 98 2HB ASP 98 0.789 16.001 -3.148 733 2HB ASP 98 1HB ASP 98 0.599 17.380 -4.232 734 H GLU 99 H GLU 99 -0.371 17.471 -6.666 735 HA GLU 99 HA GLU 99 -3.257 17.536 -6.739 736 1HB GLU 99 2HB GLU 99 -1.344 18.687 -8.790 737 2HB GLU 99 1HB GLU 99 -2.996 19.210 -8.461 738 1HG GLU 99 2HG GLU 99 -0.765 19.301 -6.412 739 2HG GLU 99 1HG GLU 99 -1.233 20.676 -7.414 740 H GLN 100 H GLN 100 -0.766 16.169 -8.871 741 HA GLN 100 HA GLN 100 -2.510 15.339 -10.971 742 1HB GLN 100 2HB GLN 100 0.016 13.944 -10.035 743 2HB GLN 100 1HB GLN 100 -0.712 13.847 -11.639 744 1HG GLN 100 2HG GLN 100 0.087 16.511 -10.483 745 2HG GLN 100 1HG GLN 100 1.279 15.487 -11.286 746 1HE2 GLN 100 1HE2 GLN 100 -0.008 14.438 -13.448 747 2HE2 GLN 100 2HE2 GLN 100 -0.634 15.655 -14.451 748 H VAL 101 H VAL 101 -1.259 13.490 -8.166 749 HA VAL 101 HA VAL 101 -2.764 11.127 -8.663 750 HB VAL 101 HB VAL 101 -1.717 12.340 -6.092 751 1HG1 VAL 101 1HG1 VAL 101 -3.358 10.972 -5.201 752 2HG1 VAL 101 2HG1 VAL 101 -2.068 9.787 -5.409 753 3HG1 VAL 101 3HG1 VAL 101 -3.367 9.896 -6.598 754 1HG2 VAL 101 1HG2 VAL 101 -0.822 9.910 -7.671 755 2HG2 VAL 101 2HG2 VAL 101 0.017 10.667 -6.317 756 3HG2 VAL 101 3HG2 VAL 101 -0.110 11.513 -7.860 757 H GLU 102 H GLU 102 -3.530 13.936 -6.582 758 HA GLU 102 HA GLU 102 -6.080 13.047 -5.719 759 1HB GLU 102 2HB GLU 102 -5.123 14.984 -4.669 760 2HB GLU 102 1HB GLU 102 -4.994 15.831 -6.212 761 1HG GLU 102 2HG GLU 102 -7.160 16.497 -6.157 762 2HG GLU 102 1HG GLU 102 -7.721 14.921 -5.599 763 H LYS 103 H LYS 103 -5.007 14.310 -8.779 764 HA LYS 103 HA LYS 103 -7.622 15.039 -9.791 765 1HB LYS 103 2HB LYS 103 -5.017 15.379 -10.654 766 2HB LYS 103 1HB LYS 103 -5.642 14.178 -11.784 767 1HG LYS 103 2HG LYS 103 -7.719 15.774 -11.911 768 2HG LYS 103 1HG LYS 103 -6.595 16.984 -11.290 769 1HD LYS 103 2HD LYS 103 -5.010 16.184 -13.177 770 2HD LYS 103 1HD LYS 103 -6.449 15.441 -13.877 771 1HE LYS 103 2HE LYS 103 -7.181 18.075 -13.114 772 2HE LYS 103 1HE LYS 103 -5.638 18.199 -13.958 773 1HZ LYS 103 1HZ LYS 103 -6.513 17.123 -15.835 774 2HZ LYS 103 2HZ LYS 103 -7.695 18.256 -15.382 775 3HZ LYS 103 3HZ LYS 103 -7.903 16.610 -15.010 776 H LEU 104 H LEU 104 -5.503 12.207 -10.362 777 HA LEU 104 HA LEU 104 -7.464 10.764 -11.890 778 1HB LEU 104 2HB LEU 104 -5.183 9.615 -10.255 779 2HB LEU 104 1HB LEU 104 -5.994 8.850 -11.622 780 HG LEU 104 HG LEU 104 -4.562 11.506 -11.849 781 1HD1 LEU 104 1HD1 LEU 104 -2.617 10.365 -12.619 782 2HD1 LEU 104 2HD1 LEU 104 -3.464 8.820 -12.698 783 3HD1 LEU 104 3HD1 LEU 104 -3.081 9.536 -11.133 784 1HD2 LEU 104 1HD2 LEU 104 -4.546 10.107 -14.270 785 2HD2 LEU 104 2HD2 LEU 104 -5.606 11.454 -13.854 786 3HD2 LEU 104 3HD2 LEU 104 -6.148 9.795 -13.602 787 H VAL 105 H VAL 105 -6.831 11.063 -8.448 788 HA VAL 105 HA VAL 105 -8.341 8.785 -7.583 789 HB VAL 105 HB VAL 105 -7.675 11.412 -6.230 790 1HG1 VAL 105 1HG1 VAL 105 -9.676 10.626 -5.162 791 2HG1 VAL 105 2HG1 VAL 105 -8.335 10.144 -4.124 792 3HG1 VAL 105 3HG1 VAL 105 -9.105 8.958 -5.179 793 1HG2 VAL 105 1HG2 VAL 105 -6.088 9.250 -6.851 794 2HG2 VAL 105 2HG2 VAL 105 -6.626 8.848 -5.219 795 3HG2 VAL 105 3HG2 VAL 105 -5.782 10.367 -5.520 796 H ASN 106 H ASN 106 -9.273 12.240 -7.795 797 HA ASN 106 HA ASN 106 -12.000 11.868 -7.088 798 1HB ASN 106 2HB ASN 106 -10.451 13.959 -8.553 799 2HB ASN 106 1HB ASN 106 -12.209 13.991 -8.700 800 1HD2 ASN 106 1HD2 ASN 106 -9.548 14.700 -6.583 801 2HD2 ASN 106 2HD2 ASN 106 -10.471 15.172 -5.240 802 H LEU 107 H LEU 107 -10.382 11.719 -10.255 803 HA LEU 107 HA LEU 107 -12.791 11.372 -11.785 804 1HB LEU 107 2HB LEU 107 -10.838 12.003 -12.994 805 2HB LEU 107 1HB LEU 107 -9.893 10.682 -12.305 806 HG LEU 107 HG LEU 107 -12.319 9.792 -13.709 807 1HD1 LEU 107 1HD1 LEU 107 -10.139 11.321 -15.141 808 2HD1 LEU 107 2HD1 LEU 107 -11.883 11.555 -15.253 809 3HD1 LEU 107 3HD1 LEU 107 -11.139 10.123 -15.963 810 1HD2 LEU 107 1HD2 LEU 107 -10.197 8.522 -12.808 811 2HD2 LEU 107 2HD2 LEU 107 -9.480 9.024 -14.338 812 3HD2 LEU 107 3HD2 LEU 107 -10.928 8.017 -14.330 813 H ALA 108 H ALA 108 -10.554 9.086 -10.238 814 HA ALA 108 HA ALA 108 -11.660 6.690 -11.288 815 1HB ALA 108 1HB ALA 108 -9.626 6.459 -10.101 816 2HB ALA 108 2HB ALA 108 -10.820 5.709 -9.042 817 3HB ALA 108 3HB ALA 108 -10.242 7.341 -8.704 818 H GLU 109 H GLU 109 -12.291 8.049 -8.028 819 HA GLU 109 HA GLU 109 -14.554 6.412 -7.502 820 1HB GLU 109 2HB GLU 109 -13.143 8.304 -6.090 821 2HB GLU 109 1HB GLU 109 -14.682 9.122 -6.357 822 1HG GLU 109 2HG GLU 109 -14.938 7.896 -4.320 823 2HG GLU 109 1HG GLU 109 -15.810 6.980 -5.550 824 H LYS 110 H LYS 110 -14.231 9.426 -9.284 825 HA LYS 110 HA LYS 110 -16.975 10.176 -9.379 826 1HB LYS 110 2HB LYS 110 -15.171 11.649 -10.176 827 2HB LYS 110 1HB LYS 110 -14.830 10.530 -11.497 828 1HG LYS 110 2HG LYS 110 -17.036 10.890 -12.445 829 2HG LYS 110 1HG LYS 110 -17.508 11.882 -11.066 830 1HD LYS 110 2HD LYS 110 -15.443 13.340 -11.708 831 2HD LYS 110 1HD LYS 110 -15.560 12.526 -13.269 832 1HE LYS 110 2HE LYS 110 -18.193 13.265 -12.650 833 2HE LYS 110 1HE LYS 110 -17.213 14.655 -12.187 834 1HZ LYS 110 1HZ LYS 110 -16.404 14.906 -14.319 835 2HZ LYS 110 2HZ LYS 110 -18.015 14.448 -14.606 836 3HZ LYS 110 3HZ LYS 110 -16.763 13.310 -14.769 837 H PHE 111 H PHE 111 -15.140 7.785 -11.216 838 HA PHE 111 HA PHE 111 -17.498 7.235 -12.923 839 1HB PHE 111 2HB PHE 111 -14.605 6.464 -12.964 840 2HB PHE 111 1HB PHE 111 -15.766 5.403 -13.764 841 HD1 PHE 111 HD1 PHE 111 -17.679 6.893 -15.087 842 HD2 PHE 111 HD2 PHE 111 -13.597 8.016 -14.367 843 HE1 PHE 111 HE1 PHE 111 -17.765 8.444 -17.021 844 HE2 PHE 111 HE2 PHE 111 -13.683 9.567 -16.301 845 HZ PHE 111 HZ PHE 111 -15.767 9.781 -17.626 846 H ASP 112 H ASP 112 -15.228 4.938 -11.415 847 HA ASP 112 HA ASP 112 -16.808 3.817 -9.433 848 1HB ASP 112 2HB ASP 112 -17.888 3.280 -12.095 849 2HB ASP 112 1HB ASP 112 -17.542 1.796 -11.207 850 H ILE 113 H ILE 113 -14.059 4.074 -10.233 851 HA ILE 113 HA ILE 113 -13.269 1.187 -10.271 852 HB ILE 113 HB ILE 113 -11.231 1.840 -11.466 853 1HG1 ILE 113 2HG1 ILE 113 -12.430 4.625 -11.322 854 2HG1 ILE 113 1HG1 ILE 113 -10.946 4.082 -10.537 855 1HG2 ILE 113 1HG2 ILE 113 -13.292 3.256 -13.073 856 2HG2 ILE 113 2HG2 ILE 113 -13.695 1.618 -12.558 857 3HG2 ILE 113 3HG2 ILE 113 -12.245 1.907 -13.520 858 1HD1 ILE 113 1HD1 ILE 113 -11.469 4.432 -13.490 859 2HD1 ILE 113 2HD1 ILE 113 -10.116 3.474 -12.891 860 3HD1 ILE 113 3HD1 ILE 113 -10.219 5.193 -12.507 861 H ILE 114 H ILE 114 -10.795 1.144 -9.446 862 HA ILE 114 HA ILE 114 -10.697 2.823 -6.973 863 HB ILE 114 HB ILE 114 -11.084 0.751 -6.032 864 1HG1 ILE 114 2HG1 ILE 114 -8.995 -0.220 -5.265 865 2HG1 ILE 114 1HG1 ILE 114 -8.120 0.479 -6.626 866 1HG2 ILE 114 1HG2 ILE 114 -9.891 -1.322 -7.215 867 2HG2 ILE 114 2HG2 ILE 114 -9.944 -0.242 -8.607 868 3HG2 ILE 114 3HG2 ILE 114 -11.438 -0.700 -7.790 869 1HD1 ILE 114 1HD1 ILE 114 -8.399 1.646 -4.131 870 2HD1 ILE 114 2HD1 ILE 114 -9.626 2.472 -5.090 871 3HD1 ILE 114 3HD1 ILE 114 -7.940 2.493 -5.606 872 H TYR 115 H TYR 115 -8.945 4.137 -6.990 873 HA TYR 115 HA TYR 115 -6.633 3.406 -8.720 874 1HB TYR 115 2HB TYR 115 -7.236 5.585 -9.285 875 2HB TYR 115 1HB TYR 115 -7.727 5.983 -7.638 876 HD1 TYR 115 HD1 TYR 115 -4.813 5.445 -9.870 877 HD2 TYR 115 HD2 TYR 115 -6.152 6.800 -6.020 878 HE1 TYR 115 HE1 TYR 115 -2.574 6.417 -9.432 879 HE2 TYR 115 HE2 TYR 115 -3.914 7.772 -5.583 880 HH TYR 115 HH TYR 115 -1.371 7.089 -6.673 881 H ASP 116 H ASP 116 -5.134 2.247 -7.584 882 HA ASP 116 HA ASP 116 -3.937 3.440 -5.197 883 1HB ASP 116 2HB ASP 116 -5.830 2.274 -4.170 884 2HB ASP 116 1HB ASP 116 -5.394 0.786 -5.009 885 H GLY 117 H GLY 117 -2.083 3.368 -6.621 886 1HA GLY 117 2HA GLY 117 -0.232 1.367 -6.257 887 2HA GLY 117 1HA GLY 117 -1.148 0.798 -7.655 888 H TRP 118 H TRP 118 0.778 3.540 -6.462 889 HA TRP 118 HA TRP 118 1.414 4.157 -9.319 890 1HB TRP 118 2HB TRP 118 1.226 6.431 -8.946 891 2HB TRP 118 1HB TRP 118 0.013 5.849 -7.808 892 HD1 TRP 118 HD1 TRP 118 0.487 6.118 -5.257 893 HE1 TRP 118 HE1 TRP 118 2.326 7.326 -3.913 894 HE3 TRP 118 HE3 TRP 118 3.827 7.066 -8.996 895 HZ2 TRP 118 HZ2 TRP 118 4.881 8.536 -4.368 896 HZ3 TRP 118 HZ3 TRP 118 5.954 8.246 -8.516 897 HH2 TRP 118 HH2 TRP 118 6.484 8.982 -6.209 898 H GLY 119 H GLY 119 3.601 5.034 -9.646 899 1HA GLY 119 2HA GLY 119 5.570 5.120 -7.569 900 2HA GLY 119 1HA GLY 119 5.632 3.545 -8.361 901 H THR 120 H THR 120 7.884 4.886 -8.709 902 HA THR 120 HA THR 120 7.741 5.736 -11.547 903 HB THR 120 HB THR 120 7.711 7.885 -10.599 904 HG1 THR 120 HG1 THR 120 9.410 8.273 -11.756 905 1HG2 THR 120 1HG2 THR 120 9.664 6.862 -8.518 906 2HG2 THR 120 2HG2 THR 120 7.944 7.147 -8.259 907 3HG2 THR 120 3HG2 THR 120 9.021 8.502 -8.601 908 H TYR 121 H TYR 121 9.871 5.631 -12.599 909 HA TYR 121 HA TYR 121 11.558 3.540 -11.354 910 1HB TYR 121 2HB TYR 121 11.377 4.700 -14.139 911 2HB TYR 121 1HB TYR 121 12.698 3.637 -13.659 912 HD1 TYR 121 HD1 TYR 121 9.039 3.877 -14.153 913 HD2 TYR 121 HD2 TYR 121 12.342 1.280 -13.264 914 HE1 TYR 121 HE1 TYR 121 7.585 1.902 -14.517 915 HE2 TYR 121 HE2 TYR 121 10.888 -0.695 -13.628 916 HH TYR 121 HH TYR 121 7.693 -0.398 -14.979 917 H TYR 122 H TYR 122 13.536 3.990 -10.494 918 HA TYR 122 HA TYR 122 14.422 6.779 -10.385 919 1HB TYR 122 2HB TYR 122 14.763 5.584 -8.367 920 2HB TYR 122 1HB TYR 122 15.439 4.190 -9.210 921 HD1 TYR 122 HD1 TYR 122 17.662 3.965 -8.502 922 HD2 TYR 122 HD2 TYR 122 16.160 7.851 -9.550 923 HE1 TYR 122 HE1 TYR 122 19.940 4.913 -8.251 924 HE2 TYR 122 HE2 TYR 122 18.439 8.799 -9.299 925 HH TYR 122 HH TYR 122 21.070 6.925 -7.960 926 H GLU 123 H GLU 123 16.345 7.589 -11.317 927 HA GLU 123 HA GLU 123 17.104 6.430 -13.843 928 1HB GLU 123 2HB GLU 123 18.143 8.702 -12.162 929 2HB GLU 123 1HB GLU 123 19.019 8.185 -13.603 930 1HG GLU 123 2HG GLU 123 17.486 9.098 -14.993 931 2HG GLU 123 1HG GLU 123 16.135 8.458 -14.054 932 H GLY 124 H GLY 124 19.744 6.371 -14.133 933 1HA GLY 124 2HA GLY 124 21.779 5.337 -13.477 934 2HA GLY 124 1HA GLY 124 21.054 4.975 -11.908 935 H LEU 125 H LEU 125 19.648 4.156 -15.051 936 HA LEU 125 HA LEU 125 19.738 1.294 -14.231 937 1HB LEU 125 2HB LEU 125 17.657 2.805 -15.203 938 2HB LEU 125 1HB LEU 125 18.240 2.014 -16.667 939 HG LEU 125 HG LEU 125 16.519 0.643 -15.552 940 1HD1 LEU 125 1HD1 LEU 125 17.720 -1.433 -15.590 941 2HD1 LEU 125 2HD1 LEU 125 19.237 -0.637 -15.174 942 3HD1 LEU 125 3HD1 LEU 125 18.512 -0.378 -16.760 943 1HD2 LEU 125 1HD2 LEU 125 17.628 1.573 -13.218 944 2HD2 LEU 125 2HD2 LEU 125 18.267 -0.071 -13.282 945 3HD2 LEU 125 3HD2 LEU 125 16.524 0.199 -13.318 946 H GLU 126 H GLU 126 21.898 0.822 -14.863 947 HA GLU 126 HA GLU 126 23.080 1.536 -17.346 948 1HB GLU 126 2HB GLU 126 24.286 0.557 -15.367 949 2HB GLU 126 1HB GLU 126 23.587 -1.009 -15.780 950 1HG GLU 126 2HG GLU 126 25.652 -1.097 -16.877 951 2HG GLU 126 1HG GLU 126 24.581 -0.526 -18.158 952 H HIS 127 H HIS 127 22.657 0.845 -19.383 953 HA HIS 127 HA HIS 127 20.731 -1.372 -19.750 954 1HB HIS 127 2HB HIS 127 21.989 0.420 -21.848 955 2HB HIS 127 1HB HIS 127 20.564 -0.603 -22.040 956 HD2 HIS 127 HD2 HIS 127 18.627 0.251 -19.683 957 HE1 HIS 127 HE1 HIS 127 19.522 4.280 -20.588 958 HE2 HIS 127 HE2 HIS 127 17.907 2.741 -19.380 959 H HIS 128 H HIS 128 22.454 -1.273 -22.528 960 HA HIS 128 HA HIS 128 23.942 -2.802 -23.511 961 1HB HIS 128 2HB HIS 128 25.323 -1.451 -21.629 962 2HB HIS 128 1HB HIS 128 25.469 -3.082 -20.972 963 HD2 HIS 128 HD2 HIS 128 26.460 -1.150 -24.289 964 HE1 HIS 128 HE1 HIS 128 28.626 -4.773 -24.129 965 HE2 HIS 128 HE2 HIS 128 28.315 -2.603 -25.406 966 H HIS 129 H HIS 129 21.593 -3.889 -22.176 967 HA HIS 129 HA HIS 129 22.315 -6.196 -20.605 968 1HB HIS 129 2HB HIS 129 19.840 -5.413 -22.150 969 2HB HIS 129 1HB HIS 129 19.962 -6.970 -21.327 970 HD2 HIS 129 HD2 HIS 129 18.503 -3.717 -20.436 971 HE1 HIS 129 HE1 HIS 129 20.278 -4.975 -16.817 972 HE2 HIS 129 HE2 HIS 129 18.640 -3.342 -17.859 973 H HIS 130 H HIS 130 22.706 -5.497 -23.890 974 HA HIS 130 HA HIS 130 22.281 -8.165 -24.956 975 1HB HIS 130 2HB HIS 130 23.713 -5.709 -25.989 976 2HB HIS 130 1HB HIS 130 23.678 -7.225 -26.891 977 HD2 HIS 130 HD2 HIS 130 20.589 -8.109 -26.670 978 HE1 HIS 130 HE1 HIS 130 19.612 -4.168 -27.833 979 HE2 HIS 130 HE2 HIS 130 18.732 -6.537 -27.609 980 H HIS 131 H HIS 131 24.310 -9.205 -26.123 981 HA HIS 131 HA HIS 131 26.675 -9.070 -24.307 982 1HB HIS 131 2HB HIS 131 24.988 -11.053 -23.916 983 2HB HIS 131 1HB HIS 131 25.732 -11.717 -25.370 984 HD2 HIS 131 HD2 HIS 131 26.979 -13.688 -23.587 985 HE1 HIS 131 HE1 HIS 131 29.745 -10.916 -22.004 986 HE2 HIS 131 HE2 HIS 131 29.155 -13.376 -22.183 987 H HIS 132 HN HIS 132 25.366 -10.224 -27.414 988 HA HIS 132 HA HIS 132 28.091 -9.785 -28.573 989 1HB HIS 132 2HB HIS 132 27.658 -11.630 -30.127 990 2HB HIS 132 1HB HIS 132 27.502 -12.202 -28.466 991 HD2 HIS 132 HD2 HIS 132 24.733 -12.547 -27.605 992 HE1 HIS 132 HE1 HIS 132 23.193 -12.544 -31.537 993 HE2 HIS 132 HE2 HIS 132 22.657 -13.036 -29.107 Start of MODEL 11 1 1H MET 1 1H MET 1 -27.248 13.830 12.096 2 2H MET 1 2H MET 1 -28.755 14.378 12.658 3 3H MET 1 3H MET 1 -27.328 14.832 13.462 4 HA MET 1 HA MET 1 -28.623 16.246 11.497 5 1HB MET 1 2HB MET 1 -26.076 16.376 13.024 6 2HB MET 1 1HB MET 1 -26.173 17.391 11.584 7 1HG MET 1 2HG MET 1 -26.981 18.571 13.622 8 2HG MET 1 1HG MET 1 -28.242 18.408 12.400 9 1HE MET 1 1HE MET 1 -26.574 17.340 15.426 10 2HE MET 1 2HE MET 1 -27.699 16.404 16.407 11 3HE MET 1 3HE MET 1 -27.915 18.146 16.252 12 H SER 2 H SER 2 -28.768 14.746 9.642 13 HA SER 2 HA SER 2 -28.025 13.878 7.586 14 1HB SER 2 2HB SER 2 -26.018 15.560 6.763 15 2HB SER 2 1HB SER 2 -27.737 15.884 6.560 16 HG SER 2 HG SER 2 -25.997 17.269 7.952 17 H HIS 3 H HIS 3 -26.715 12.838 9.988 18 HA HIS 3 HA HIS 3 -23.889 12.669 9.718 19 1HB HIS 3 2HB HIS 3 -25.845 11.559 11.402 20 2HB HIS 3 1HB HIS 3 -25.055 10.173 10.651 21 HD2 HIS 3 HD2 HIS 3 -23.139 9.439 12.512 22 HE1 HIS 3 HE1 HIS 3 -21.579 13.284 13.295 23 HE2 HIS 3 HE2 HIS 3 -21.315 10.807 13.777 24 H GLN 4 H GLN 4 -26.392 11.353 7.777 25 HA GLN 4 HA GLN 4 -25.074 9.000 6.801 26 1HB GLN 4 2HB GLN 4 -27.208 10.810 5.660 27 2HB GLN 4 1HB GLN 4 -26.589 9.428 4.754 28 1HG GLN 4 2HG GLN 4 -27.377 8.928 7.581 29 2HG GLN 4 1HG GLN 4 -28.682 9.225 6.434 30 1HE2 GLN 4 1HE2 GLN 4 -28.392 6.648 7.587 31 2HE2 GLN 4 2HE2 GLN 4 -27.886 5.559 6.387 32 H ASP 5 H ASP 5 -24.701 9.100 4.161 33 HA ASP 5 HA ASP 5 -22.970 9.634 2.649 34 1HB ASP 5 2HB ASP 5 -24.035 12.384 3.360 35 2HB ASP 5 1HB ASP 5 -23.035 12.020 1.953 36 H ASP 6 H ASP 6 -22.183 12.738 3.680 37 HA ASP 6 HA ASP 6 -20.183 13.584 4.579 38 1HB ASP 6 2HB ASP 6 -21.065 11.451 6.503 39 2HB ASP 6 1HB ASP 6 -19.522 12.268 6.758 40 H TYR 7 H TYR 7 -19.014 12.806 2.640 41 HA TYR 7 HA TYR 7 -17.843 10.430 2.055 42 1HB TYR 7 2HB TYR 7 -15.749 12.462 2.120 43 2HB TYR 7 1HB TYR 7 -16.488 11.663 0.732 44 HD1 TYR 7 HD1 TYR 7 -16.959 14.405 3.211 45 HD2 TYR 7 HD2 TYR 7 -18.170 12.740 -0.559 46 HE1 TYR 7 HE1 TYR 7 -18.266 16.457 2.724 47 HE2 TYR 7 HE2 TYR 7 -19.476 14.791 -1.046 48 HH TYR 7 HH TYR 7 -20.312 16.691 -0.159 49 H LEU 8 H LEU 8 -16.297 9.052 2.905 50 HA LEU 8 HA LEU 8 -14.621 9.932 5.163 51 1HB LEU 8 2HB LEU 8 -16.876 9.162 6.103 52 2HB LEU 8 1HB LEU 8 -16.445 7.547 5.538 53 HG LEU 8 HG LEU 8 -14.169 8.543 6.898 54 1HD1 LEU 8 1HD1 LEU 8 -16.734 8.925 8.472 55 2HD1 LEU 8 2HD1 LEU 8 -15.650 10.214 7.949 56 3HD1 LEU 8 3HD1 LEU 8 -15.103 9.025 9.132 57 1HD2 LEU 8 1HD2 LEU 8 -16.302 6.559 7.758 58 2HD2 LEU 8 2HD2 LEU 8 -14.681 6.676 8.445 59 3HD2 LEU 8 3HD2 LEU 8 -14.893 6.190 6.762 60 H SER 9 H SER 9 -14.382 8.803 2.360 61 HA SER 9 HA SER 9 -12.454 6.661 3.084 62 1HB SER 9 2HB SER 9 -14.519 6.415 0.877 63 2HB SER 9 1HB SER 9 -13.234 5.256 1.210 64 HG SER 9 HG SER 9 -14.192 5.198 3.403 65 H VAL 10 H VAL 10 -13.750 8.253 0.143 66 HA VAL 10 HA VAL 10 -11.356 8.238 -1.333 67 HB VAL 10 HB VAL 10 -13.385 8.910 -2.427 68 1HG1 VAL 10 1HG1 VAL 10 -13.485 11.363 -0.661 69 2HG1 VAL 10 2HG1 VAL 10 -14.349 9.879 -0.260 70 3HG1 VAL 10 3HG1 VAL 10 -14.737 10.752 -1.742 71 1HG2 VAL 10 1HG2 VAL 10 -11.288 10.025 -3.200 72 2HG2 VAL 10 2HG2 VAL 10 -11.641 11.376 -2.122 73 3HG2 VAL 10 3HG2 VAL 10 -12.719 11.019 -3.472 74 H GLU 11 H GLU 11 -12.327 10.283 1.334 75 HA GLU 11 HA GLU 11 -10.154 12.206 0.899 76 1HB GLU 11 2HB GLU 11 -12.369 12.791 1.978 77 2HB GLU 11 1HB GLU 11 -11.861 11.843 3.375 78 1HG GLU 11 2HG GLU 11 -10.920 13.768 4.114 79 2HG GLU 11 1HG GLU 11 -9.660 13.441 2.923 80 H GLU 12 H GLU 12 -10.709 9.281 2.742 81 HA GLU 12 HA GLU 12 -8.525 9.586 4.588 82 1HB GLU 12 2HB GLU 12 -9.620 6.972 3.520 83 2HB GLU 12 1HB GLU 12 -8.837 7.255 5.076 84 1HG GLU 12 2HG GLU 12 -11.336 8.767 4.352 85 2HG GLU 12 1HG GLU 12 -11.447 7.125 4.986 86 H LEU 13 H LEU 13 -8.789 7.902 1.449 87 HA LEU 13 HA LEU 13 -6.072 6.993 1.398 88 1HB LEU 13 2HB LEU 13 -7.666 7.684 -1.069 89 2HB LEU 13 1HB LEU 13 -6.473 6.402 -0.858 90 HG LEU 13 HG LEU 13 -9.242 6.541 0.365 91 1HD1 LEU 13 1HD1 LEU 13 -9.300 4.246 -0.840 92 2HD1 LEU 13 2HD1 LEU 13 -7.886 4.831 -1.718 93 3HD1 LEU 13 3HD1 LEU 13 -9.419 5.698 -1.832 94 1HD2 LEU 13 1HD2 LEU 13 -7.852 5.632 2.076 95 2HD2 LEU 13 2HD2 LEU 13 -6.890 4.718 0.914 96 3HD2 LEU 13 3HD2 LEU 13 -8.550 4.233 1.260 97 H ILE 14 H ILE 14 -7.525 10.088 0.722 98 HA ILE 14 HA ILE 14 -5.349 11.116 -0.890 99 HB ILE 14 HB ILE 14 -7.709 12.301 0.530 100 1HG1 ILE 14 2HG1 ILE 14 -6.741 12.813 -2.278 101 2HG1 ILE 14 1HG1 ILE 14 -7.580 11.313 -1.885 102 1HG2 ILE 14 1HG2 ILE 14 -5.989 13.894 1.092 103 2HG2 ILE 14 2HG2 ILE 14 -6.888 14.561 -0.270 104 3HG2 ILE 14 3HG2 ILE 14 -5.310 13.817 -0.534 105 1HD1 ILE 14 1HD1 ILE 14 -9.582 12.350 -1.770 106 2HD1 ILE 14 2HD1 ILE 14 -8.793 13.730 -2.533 107 3HD1 ILE 14 3HD1 ILE 14 -8.930 13.653 -0.777 108 H GLU 15 H GLU 15 -6.213 11.439 2.565 109 HA GLU 15 HA GLU 15 -3.985 13.078 3.275 110 1HB GLU 15 2HB GLU 15 -6.154 12.241 4.622 111 2HB GLU 15 1HB GLU 15 -4.986 11.074 5.244 112 1HG GLU 15 2HG GLU 15 -4.665 12.806 6.750 113 2HG GLU 15 1HG GLU 15 -3.477 13.241 5.520 114 H ILE 16 H ILE 16 -4.403 9.534 3.632 115 HA ILE 16 HA ILE 16 -1.744 9.011 4.494 116 HB ILE 16 HB ILE 16 -3.445 7.155 2.811 117 1HG1 ILE 16 2HG1 ILE 16 -3.494 7.472 5.825 118 2HG1 ILE 16 1HG1 ILE 16 -4.684 8.217 4.758 119 1HG2 ILE 16 1HG2 ILE 16 -0.900 6.838 3.781 120 2HG2 ILE 16 2HG2 ILE 16 -2.019 5.508 3.476 121 3HG2 ILE 16 3HG2 ILE 16 -1.861 6.173 5.102 122 1HD1 ILE 16 1HD1 ILE 16 -5.728 6.239 4.333 123 2HD1 ILE 16 2HD1 ILE 16 -4.952 5.719 5.829 124 3HD1 ILE 16 3HD1 ILE 16 -4.212 5.341 4.273 125 H GLN 17 H GLN 17 -3.077 8.439 1.210 126 HA GLN 17 HA GLN 17 -0.842 7.833 -0.222 127 1HB GLN 17 2HB GLN 17 -3.101 8.287 -1.214 128 2HB GLN 17 1HB GLN 17 -2.763 10.014 -1.091 129 1HG GLN 17 2HG GLN 17 -2.123 9.491 -3.298 130 2HG GLN 17 1HG GLN 17 -0.597 9.463 -2.414 131 1HE2 GLN 17 1HE2 GLN 17 -2.017 7.794 -4.790 132 2HE2 GLN 17 2HE2 GLN 17 -1.521 6.213 -4.424 133 H LYS 18 H LYS 18 -1.707 11.165 0.754 134 HA LYS 18 HA LYS 18 0.502 12.506 -0.368 135 1HB LYS 18 2HB LYS 18 -1.482 13.046 1.682 136 2HB LYS 18 1HB LYS 18 0.088 13.707 2.143 137 1HG LYS 18 2HG LYS 18 -1.036 15.400 0.853 138 2HG LYS 18 1HG LYS 18 0.229 14.722 -0.173 139 1HD LYS 18 2HD LYS 18 -1.279 13.601 -1.532 140 2HD LYS 18 1HD LYS 18 -2.496 13.485 -0.262 141 1HE LYS 18 2HE LYS 18 -2.845 15.187 -2.233 142 2HE LYS 18 1HE LYS 18 -3.237 15.675 -0.583 143 1HZ LYS 18 1HZ LYS 18 -1.660 17.088 -2.162 144 2HZ LYS 18 2HZ LYS 18 -0.488 16.086 -1.450 145 3HZ LYS 18 3HZ LYS 18 -1.480 17.063 -0.476 146 H GLU 19 H GLU 19 0.252 11.266 2.990 147 HA GLU 19 HA GLU 19 2.889 11.720 3.801 148 1HB GLU 19 2HB GLU 19 1.170 9.292 4.409 149 2HB GLU 19 1HB GLU 19 2.605 9.771 5.315 150 1HG GLU 19 2HG GLU 19 1.354 12.079 5.513 151 2HG GLU 19 1HG GLU 19 -0.079 11.107 5.175 152 H GLU 20 H GLU 20 1.617 8.962 1.942 153 HA GLU 20 HA GLU 20 4.030 7.470 1.777 154 1HB GLU 20 2HB GLU 20 1.493 7.621 0.243 155 2HB GLU 20 1HB GLU 20 2.869 6.929 -0.615 156 1HG GLU 20 2HG GLU 20 2.164 6.037 2.179 157 2HG GLU 20 1HG GLU 20 1.394 5.315 0.766 158 H THR 21 H THR 21 2.688 9.836 -0.554 159 HA THR 21 HA THR 21 4.863 9.841 -2.354 160 HB THR 21 HB THR 21 3.475 12.418 -1.722 161 HG1 THR 21 HG1 THR 21 2.065 10.724 -3.331 162 1HG2 THR 21 1HG2 THR 21 5.099 12.094 -3.630 163 2HG2 THR 21 2HG2 THR 21 3.500 12.657 -4.117 164 3HG2 THR 21 3HG2 THR 21 3.943 10.964 -4.334 165 H ARG 22 H ARG 22 4.277 12.317 0.175 166 HA ARG 22 HA ARG 22 6.673 13.684 0.071 167 1HB ARG 22 2HB ARG 22 5.219 12.797 2.582 168 2HB ARG 22 1HB ARG 22 6.434 14.075 2.517 169 1HG ARG 22 2HG ARG 22 4.795 14.911 0.535 170 2HG ARG 22 1HG ARG 22 3.621 14.089 1.564 171 1HD ARG 22 2HD ARG 22 5.457 16.375 2.301 172 2HD ARG 22 1HD ARG 22 3.695 16.335 2.359 173 HE ARG 22 HE ARG 22 4.455 14.317 4.098 174 1HH1 ARG 22 1HH2 ARG 22 5.180 17.661 3.671 175 2HH1 ARG 22 2HH2 ARG 22 5.458 17.953 5.357 176 1HH2 ARG 22 2HH1 ARG 22 4.811 14.678 6.300 177 2HH2 ARG 22 1HH1 ARG 22 5.249 16.264 6.845 178 H ASP 23 H ASP 23 6.131 10.514 1.579 179 HA ASP 23 HA ASP 23 8.690 10.241 2.797 180 1HB ASP 23 2HB ASP 23 6.715 8.728 3.169 181 2HB ASP 23 1HB ASP 23 7.023 8.020 1.583 182 H ILE 24 H ILE 24 7.570 9.168 -0.430 183 HA ILE 24 HA ILE 24 10.126 8.153 -1.248 184 HB ILE 24 HB ILE 24 7.871 9.227 -2.969 185 1HG1 ILE 24 2HG1 ILE 24 8.400 6.331 -2.320 186 2HG1 ILE 24 1HG1 ILE 24 7.427 7.325 -1.235 187 1HG2 ILE 24 1HG2 ILE 24 9.781 8.994 -4.355 188 2HG2 ILE 24 2HG2 ILE 24 8.902 7.479 -4.567 189 3HG2 ILE 24 3HG2 ILE 24 10.316 7.538 -3.514 190 1HD1 ILE 24 1HD1 ILE 24 6.499 5.999 -3.497 191 2HD1 ILE 24 2HD1 ILE 24 6.663 7.671 -4.033 192 3HD1 ILE 24 3HD1 ILE 24 5.656 7.287 -2.637 193 H ILE 25 H ILE 25 8.485 11.180 -2.260 194 HA ILE 25 HA ILE 25 10.519 12.376 -3.695 195 HB ILE 25 HB ILE 25 8.947 13.917 -1.620 196 1HG1 ILE 25 2HG1 ILE 25 7.316 12.511 -2.672 197 2HG1 ILE 25 1HG1 ILE 25 7.209 14.072 -3.487 198 1HG2 ILE 25 1HG2 ILE 25 8.910 15.420 -3.836 199 2HG2 ILE 25 2HG2 ILE 25 10.383 14.512 -4.171 200 3HG2 ILE 25 3HG2 ILE 25 10.258 15.477 -2.702 201 1HD1 ILE 25 1HD1 ILE 25 7.276 12.589 -5.293 202 2HD1 ILE 25 2HD1 ILE 25 8.402 11.499 -4.483 203 3HD1 ILE 25 3HD1 ILE 25 8.973 13.039 -5.127 204 H GLN 26 H GLN 26 10.408 11.877 -0.222 205 HA GLN 26 HA GLN 26 12.659 13.648 0.329 206 1HB GLN 26 2HB GLN 26 11.138 11.591 1.922 207 2HB GLN 26 1HB GLN 26 12.622 12.305 2.555 208 1HG GLN 26 2HG GLN 26 10.348 13.998 1.509 209 2HG GLN 26 1HG GLN 26 10.436 13.483 3.194 210 1HE2 GLN 26 1HE2 GLN 26 11.262 16.029 1.198 211 2HE2 GLN 26 2HE2 GLN 26 12.554 16.670 2.092 212 H ALA 27 H ALA 27 12.254 10.086 0.292 213 HA ALA 27 HA ALA 27 15.005 9.471 0.697 214 1HB ALA 27 1HB ALA 27 13.269 7.764 0.914 215 2HB ALA 27 2HB ALA 27 14.432 7.263 -0.316 216 3HB ALA 27 3HB ALA 27 12.867 7.921 -0.797 217 H LEU 28 H LEU 28 13.190 10.293 -2.214 218 HA LEU 28 HA LEU 28 15.251 9.543 -4.085 219 1HB LEU 28 2HB LEU 28 12.742 11.148 -4.165 220 2HB LEU 28 1HB LEU 28 13.923 11.450 -5.439 221 HG LEU 28 HG LEU 28 12.956 8.680 -4.692 222 1HD1 LEU 28 1HD1 LEU 28 11.174 10.296 -5.603 223 2HD1 LEU 28 2HD1 LEU 28 11.398 8.784 -6.483 224 3HD1 LEU 28 3HD1 LEU 28 12.095 10.279 -7.108 225 1HD2 LEU 28 1HD2 LEU 28 14.622 8.037 -6.068 226 2HD2 LEU 28 2HD2 LEU 28 15.049 9.720 -6.375 227 3HD2 LEU 28 3HD2 LEU 28 13.845 8.918 -7.383 228 H LEU 29 H LEU 29 14.389 12.647 -2.538 229 HA LEU 29 HA LEU 29 16.490 14.138 -3.826 230 1HB LEU 29 2HB LEU 29 14.519 14.593 -1.689 231 2HB LEU 29 1HB LEU 29 16.036 15.456 -1.445 232 HG LEU 29 HG LEU 29 14.264 16.689 -2.806 233 1HD1 LEU 29 1HD1 LEU 29 17.107 16.216 -3.519 234 2HD1 LEU 29 2HD1 LEU 29 16.280 17.722 -3.127 235 3HD1 LEU 29 3HD1 LEU 29 16.130 17.028 -4.741 236 1HD2 LEU 29 1HD2 LEU 29 13.551 15.880 -4.824 237 2HD2 LEU 29 2HD2 LEU 29 13.990 14.326 -4.117 238 3HD2 LEU 29 3HD2 LEU 29 15.112 15.150 -5.199 239 H GLU 30 H GLU 30 16.233 12.799 -0.512 240 HA GLU 30 HA GLU 30 18.771 13.459 0.438 241 1HB GLU 30 2HB GLU 30 17.046 11.022 0.869 242 2HB GLU 30 1HB GLU 30 18.612 11.180 1.667 243 1HG GLU 30 2HG GLU 30 17.941 13.151 2.821 244 2HG GLU 30 1HG GLU 30 16.516 13.354 1.801 245 H ASP 31 H ASP 31 17.879 10.662 -1.589 246 HA ASP 31 HA ASP 31 20.381 9.383 -1.696 247 1HB ASP 31 2HB ASP 31 18.047 9.591 -3.548 248 2HB ASP 31 1HB ASP 31 19.550 8.941 -4.203 249 H GLY 32 H GLY 32 19.241 12.251 -3.418 250 1HA GLY 32 2HA GLY 32 20.927 13.969 -3.998 251 2HA GLY 32 1HA GLY 32 22.043 12.655 -4.379 252 H SER 33 H SER 33 18.742 12.276 -5.337 253 HA SER 33 HA SER 33 19.245 11.743 -8.028 254 1HB SER 33 2HB SER 33 16.885 12.179 -8.435 255 2HB SER 33 1HB SER 33 17.055 11.406 -6.861 256 HG SER 33 HG SER 33 16.126 13.880 -7.507 257 H ASP 34 H ASP 34 18.577 13.147 -9.943 258 HA ASP 34 HA ASP 34 19.339 16.000 -9.469 259 1HB ASP 34 2HB ASP 34 20.569 13.984 -11.203 260 2HB ASP 34 1HB ASP 34 20.113 15.446 -12.077 261 HA PRO 35 HA PRO 35 15.083 15.624 -11.363 262 1HB PRO 35 2HB PRO 35 14.937 18.266 -10.003 263 2HB PRO 35 1HB PRO 35 13.782 16.922 -9.985 264 1HG PRO 35 2HG PRO 35 15.344 17.482 -7.886 265 2HG PRO 35 1HG PRO 35 14.874 15.825 -8.302 266 1HD PRO 35 2HD PRO 35 17.507 17.179 -8.660 267 2HD PRO 35 1HD PRO 35 17.148 15.463 -8.373 268 H ASP 36 H ASP 36 17.616 18.025 -11.477 269 HA ASP 36 HA ASP 36 16.597 19.936 -13.245 270 1HB ASP 36 2HB ASP 36 18.887 20.330 -13.959 271 2HB ASP 36 1HB ASP 36 18.894 19.959 -12.235 272 H ALA 37 H ALA 37 17.089 16.585 -13.824 273 HA ALA 37 HA ALA 37 17.178 16.926 -16.761 274 1HB ALA 37 1HB ALA 37 17.439 14.607 -14.871 275 2HB ALA 37 2HB ALA 37 18.525 15.119 -16.163 276 3HB ALA 37 3HB ALA 37 17.012 14.302 -16.555 277 H LEU 38 H LEU 38 15.405 14.222 -15.599 278 HA LEU 38 HA LEU 38 12.779 15.522 -15.840 279 1HB LEU 38 2HB LEU 38 13.797 14.844 -18.202 280 2HB LEU 38 1HB LEU 38 13.235 13.241 -17.727 281 HG LEU 38 HG LEU 38 11.016 14.511 -17.113 282 1HD1 LEU 38 1HD1 LEU 38 11.802 16.278 -19.393 283 2HD1 LEU 38 2HD1 LEU 38 12.382 16.707 -17.784 284 3HD1 LEU 38 3HD1 LEU 38 10.651 16.574 -18.090 285 1HD2 LEU 38 1HD2 LEU 38 11.236 12.799 -18.878 286 2HD2 LEU 38 2HD2 LEU 38 11.872 14.016 -19.984 287 3HD2 LEU 38 3HD2 LEU 38 10.206 14.123 -19.420 288 H TYR 39 H TYR 39 11.014 13.920 -15.390 289 HA TYR 39 HA TYR 39 11.973 11.408 -14.119 290 1HB TYR 39 2HB TYR 39 10.878 13.755 -12.737 291 2HB TYR 39 1HB TYR 39 10.013 12.263 -12.365 292 HD1 TYR 39 HD1 TYR 39 10.957 10.626 -10.943 293 HD2 TYR 39 HD2 TYR 39 13.423 13.776 -12.507 294 HE1 TYR 39 HE1 TYR 39 12.809 9.916 -9.455 295 HE2 TYR 39 HE2 TYR 39 15.274 13.067 -11.017 296 HH TYR 39 HH TYR 39 15.484 10.181 -9.599 297 H GLU 40 H GLU 40 10.530 9.721 -14.384 298 HA GLU 40 HA GLU 40 7.993 10.386 -15.815 299 1HB GLU 40 2HB GLU 40 8.093 8.018 -16.611 300 2HB GLU 40 1HB GLU 40 9.489 8.969 -17.119 301 1HG GLU 40 2HG GLU 40 10.468 8.063 -14.800 302 2HG GLU 40 1HG GLU 40 9.328 6.756 -15.124 303 H ILE 41 H ILE 41 6.046 9.571 -15.023 304 HA ILE 41 HA ILE 41 6.198 8.045 -12.453 305 HB ILE 41 HB ILE 41 4.215 10.221 -13.196 306 1HG1 ILE 41 2HG1 ILE 41 5.326 11.345 -11.177 307 2HG1 ILE 41 1HG1 ILE 41 6.604 10.142 -11.340 308 1HG2 ILE 41 1HG2 ILE 41 2.911 9.233 -11.645 309 2HG2 ILE 41 2HG2 ILE 41 4.129 9.663 -10.445 310 3HG2 ILE 41 3HG2 ILE 41 4.182 8.084 -11.228 311 1HD1 ILE 41 1HD1 ILE 41 5.990 11.315 -13.915 312 2HD1 ILE 41 2HD1 ILE 41 7.530 11.271 -13.054 313 3HD1 ILE 41 3HD1 ILE 41 6.381 12.572 -12.743 314 H GLU 42 H GLU 42 4.326 6.628 -12.080 315 HA GLU 42 HA GLU 42 2.657 6.111 -14.488 316 1HB GLU 42 2HB GLU 42 3.441 3.625 -13.212 317 2HB GLU 42 1HB GLU 42 3.572 4.095 -14.908 318 1HG GLU 42 2HG GLU 42 5.650 5.322 -14.418 319 2HG GLU 42 1HG GLU 42 5.518 4.876 -12.717 320 H HIS 43 H HIS 43 0.564 5.623 -13.958 321 HA HIS 43 HA HIS 43 -0.013 5.072 -11.072 322 1HB HIS 43 2HB HIS 43 -1.912 6.440 -12.988 323 2HB HIS 43 1HB HIS 43 -1.992 6.389 -11.227 324 HD2 HIS 43 HD2 HIS 43 -0.005 8.303 -14.040 325 HE1 HIS 43 HE1 HIS 43 0.925 10.076 -10.321 326 HE2 HIS 43 HE2 HIS 43 1.202 10.277 -12.835 327 H HIS 44 H HIS 44 -1.272 3.275 -10.674 328 HA HIS 44 HA HIS 44 -2.195 1.760 -13.072 329 1HB HIS 44 2HB HIS 44 -1.569 0.858 -10.247 330 2HB HIS 44 1HB HIS 44 -2.240 -0.196 -11.493 331 HD2 HIS 44 HD2 HIS 44 -0.262 -1.442 -12.959 332 HE1 HIS 44 HE1 HIS 44 2.846 1.333 -12.271 333 HE2 HIS 44 HE2 HIS 44 2.247 -0.869 -13.379 334 H LEU 45 H LEU 45 -4.345 1.253 -13.304 335 HA LEU 45 HA LEU 45 -6.182 1.750 -11.022 336 1HB LEU 45 2HB LEU 45 -6.310 3.062 -13.745 337 2HB LEU 45 1HB LEU 45 -7.742 2.891 -12.730 338 HG LEU 45 HG LEU 45 -5.938 3.906 -10.934 339 1HD1 LEU 45 1HD1 LEU 45 -5.361 5.119 -13.654 340 2HD1 LEU 45 2HD1 LEU 45 -4.217 4.259 -12.622 341 3HD1 LEU 45 3HD1 LEU 45 -4.854 5.825 -12.119 342 1HD2 LEU 45 1HD2 LEU 45 -7.070 6.167 -11.638 343 2HD2 LEU 45 2HD2 LEU 45 -8.077 4.861 -11.014 344 3HD2 LEU 45 3HD2 LEU 45 -7.988 5.153 -12.751 345 H PHE 46 H PHE 46 -7.583 0.063 -10.861 346 HA PHE 46 HA PHE 46 -7.897 -1.691 -13.258 347 1HB PHE 46 2HB PHE 46 -8.909 -3.024 -10.992 348 2HB PHE 46 1HB PHE 46 -7.387 -3.350 -11.820 349 HD1 PHE 46 HD1 PHE 46 -8.695 -2.758 -8.695 350 HD2 PHE 46 HD2 PHE 46 -5.560 -1.334 -11.264 351 HE1 PHE 46 HE1 PHE 46 -7.443 -1.941 -6.717 352 HE2 PHE 46 HE2 PHE 46 -4.308 -0.517 -9.285 353 HZ PHE 46 HZ PHE 46 -5.251 -0.822 -7.011 354 H ALA 47 H ALA 47 -10.060 -2.649 -13.573 355 HA ALA 47 HA ALA 47 -12.265 -1.064 -12.339 356 1HB ALA 47 1HB ALA 47 -13.001 -0.223 -14.317 357 2HB ALA 47 2HB ALA 47 -12.672 -1.726 -15.178 358 3HB ALA 47 3HB ALA 47 -11.371 -0.569 -14.896 359 H GLU 48 H GLU 48 -14.422 -2.148 -12.752 360 HA GLU 48 HA GLU 48 -14.050 -5.108 -12.684 361 1HB GLU 48 2HB GLU 48 -16.281 -3.337 -11.640 362 2HB GLU 48 1HB GLU 48 -16.322 -5.100 -11.607 363 1HG GLU 48 2HG GLU 48 -13.995 -4.864 -10.419 364 2HG GLU 48 1HG GLU 48 -14.546 -3.224 -10.074 365 H ASP 49 H ASP 49 -15.533 -2.501 -14.438 366 HA ASP 49 HA ASP 49 -16.943 -4.499 -16.162 367 1HB ASP 49 2HB ASP 49 -17.550 -1.544 -16.114 368 2HB ASP 49 1HB ASP 49 -18.575 -2.865 -16.671 369 H PHE 50 H PHE 50 -15.826 -4.847 -18.024 370 HA PHE 50 HA PHE 50 -13.596 -3.516 -18.971 371 1HB PHE 50 2HB PHE 50 -14.566 -4.177 -21.335 372 2HB PHE 50 1HB PHE 50 -14.101 -5.435 -20.190 373 HD1 PHE 50 HD1 PHE 50 -15.800 -6.690 -18.928 374 HD2 PHE 50 HD2 PHE 50 -16.904 -3.714 -21.822 375 HE1 PHE 50 HE1 PHE 50 -18.125 -7.552 -18.929 376 HE2 PHE 50 HE2 PHE 50 -19.229 -4.577 -21.822 377 HZ PHE 50 HZ PHE 50 -19.840 -6.496 -20.375 378 H ASP 51 H ASP 51 -16.986 -2.611 -19.488 379 HA ASP 51 HA ASP 51 -16.507 -0.488 -21.341 380 1HB ASP 51 2HB ASP 51 -18.702 -0.136 -19.372 381 2HB ASP 51 1HB ASP 51 -18.749 -0.064 -21.134 382 H LYS 52 H LYS 52 -17.500 0.007 -17.940 383 HA LYS 52 HA LYS 52 -16.797 2.619 -17.567 384 1HB LYS 52 2HB LYS 52 -17.510 0.745 -15.837 385 2HB LYS 52 1HB LYS 52 -15.777 0.688 -15.510 386 1HG LYS 52 2HG LYS 52 -16.449 2.330 -14.007 387 2HG LYS 52 1HG LYS 52 -16.021 3.315 -15.407 388 1HD LYS 52 2HD LYS 52 -18.171 4.083 -14.663 389 2HD LYS 52 1HD LYS 52 -18.450 3.144 -16.130 390 1HE LYS 52 2HE LYS 52 -18.492 1.613 -13.589 391 2HE LYS 52 1HE LYS 52 -19.828 2.739 -13.832 392 1HZ LYS 52 1HZ LYS 52 -19.782 1.635 -16.209 393 2HZ LYS 52 2HZ LYS 52 -20.646 0.944 -14.919 394 3HZ LYS 52 3HZ LYS 52 -19.115 0.341 -15.340 395 H LEU 53 H LEU 53 -14.554 -0.082 -17.895 396 HA LEU 53 HA LEU 53 -12.175 1.323 -17.142 397 1HB LEU 53 2HB LEU 53 -12.588 -1.230 -17.580 398 2HB LEU 53 1HB LEU 53 -12.191 -0.828 -19.250 399 HG LEU 53 HG LEU 53 -10.384 0.097 -17.032 400 1HD1 LEU 53 1HD1 LEU 53 -10.405 -2.173 -16.466 401 2HD1 LEU 53 2HD1 LEU 53 -9.092 -2.098 -17.641 402 3HD1 LEU 53 3HD1 LEU 53 -10.681 -2.685 -18.131 403 1HD2 LEU 53 1HD2 LEU 53 -9.225 -0.931 -19.504 404 2HD2 LEU 53 2HD2 LEU 53 -9.043 0.660 -18.764 405 3HD2 LEU 53 3HD2 LEU 53 -10.415 0.330 -19.821 406 H GLU 54 H GLU 54 -13.797 0.878 -20.278 407 HA GLU 54 HA GLU 54 -11.793 2.289 -21.799 408 1HB GLU 54 2HB GLU 54 -13.465 0.719 -22.791 409 2HB GLU 54 1HB GLU 54 -14.730 1.899 -22.446 410 1HG GLU 54 2HG GLU 54 -12.962 3.486 -23.750 411 2HG GLU 54 1HG GLU 54 -12.623 1.943 -24.534 412 H LYS 55 H LYS 55 -14.527 3.313 -19.872 413 HA LYS 55 HA LYS 55 -14.644 5.987 -21.041 414 1HB LYS 55 2HB LYS 55 -16.411 4.526 -19.585 415 2HB LYS 55 1HB LYS 55 -15.734 5.552 -18.320 416 1HG LYS 55 2HG LYS 55 -16.342 7.551 -19.486 417 2HG LYS 55 1HG LYS 55 -16.731 6.657 -20.955 418 1HD LYS 55 2HD LYS 55 -18.186 6.213 -18.339 419 2HD LYS 55 1HD LYS 55 -18.732 7.373 -19.550 420 1HE LYS 55 2HE LYS 55 -19.898 5.571 -20.342 421 2HE LYS 55 1HE LYS 55 -18.362 5.200 -21.125 422 1HZ LYS 55 1HZ LYS 55 -18.154 3.386 -19.898 423 2HZ LYS 55 2HZ LYS 55 -19.718 3.650 -19.288 424 3HZ LYS 55 3HZ LYS 55 -18.366 4.257 -18.458 425 H ALA 56 H ALA 56 -13.828 4.917 -17.716 426 HA ALA 56 HA ALA 56 -12.643 7.330 -16.884 427 1HB ALA 56 1HB ALA 56 -13.139 5.452 -15.356 428 2HB ALA 56 2HB ALA 56 -11.468 5.986 -15.186 429 3HB ALA 56 3HB ALA 56 -11.836 4.516 -16.088 430 H ALA 57 H ALA 57 -11.325 4.778 -18.903 431 HA ALA 57 HA ALA 57 -8.572 5.676 -18.705 432 1HB ALA 57 1HB ALA 57 -9.148 3.370 -19.379 433 2HB ALA 57 2HB ALA 57 -8.185 4.171 -20.620 434 3HB ALA 57 3HB ALA 57 -9.926 3.991 -20.834 435 H VAL 58 H VAL 58 -11.157 6.118 -21.131 436 HA VAL 58 HA VAL 58 -9.642 7.673 -22.966 437 HB VAL 58 HB VAL 58 -12.584 7.530 -22.318 438 1HG1 VAL 58 1HG1 VAL 58 -12.463 9.764 -23.032 439 2HG1 VAL 58 2HG1 VAL 58 -12.757 8.895 -24.538 440 3HG1 VAL 58 3HG1 VAL 58 -11.127 9.438 -24.136 441 1HG2 VAL 58 1HG2 VAL 58 -11.305 6.978 -24.974 442 2HG2 VAL 58 2HG2 VAL 58 -12.717 6.222 -24.236 443 3HG2 VAL 58 3HG2 VAL 58 -11.099 5.802 -23.676 444 H GLU 59 H GLU 59 -11.161 8.519 -19.922 445 HA GLU 59 HA GLU 59 -11.046 11.386 -20.323 446 1HB GLU 59 2HB GLU 59 -12.329 9.840 -18.528 447 2HB GLU 59 1HB GLU 59 -10.915 10.271 -17.566 448 1HG GLU 59 2HG GLU 59 -12.476 11.997 -17.116 449 2HG GLU 59 1HG GLU 59 -11.377 12.699 -18.306 450 H ALA 60 H ALA 60 -9.049 9.163 -18.338 451 HA ALA 60 HA ALA 60 -7.115 11.045 -17.526 452 1HB ALA 60 1HB ALA 60 -6.515 9.140 -16.470 453 2HB ALA 60 2HB ALA 60 -5.666 8.702 -17.952 454 3HB ALA 60 3HB ALA 60 -7.315 8.137 -17.679 455 H PHE 61 H PHE 61 -7.226 9.089 -20.502 456 HA PHE 61 HA PHE 61 -4.712 9.922 -21.554 457 1HB PHE 61 2HB PHE 61 -6.199 8.054 -22.428 458 2HB PHE 61 1HB PHE 61 -7.184 9.302 -23.189 459 HD1 PHE 61 HD1 PHE 61 -3.527 8.510 -22.818 460 HD2 PHE 61 HD2 PHE 61 -6.717 9.726 -25.425 461 HE1 PHE 61 HE1 PHE 61 -1.937 8.605 -24.719 462 HE2 PHE 61 HE2 PHE 61 -5.127 9.821 -27.327 463 HZ PHE 61 HZ PHE 61 -2.737 9.261 -26.973 464 H LYS 62 H LYS 62 -7.958 11.352 -21.827 465 HA LYS 62 HA LYS 62 -7.244 13.420 -23.674 466 1HB LYS 62 2HB LYS 62 -9.495 12.853 -21.835 467 2HB LYS 62 1HB LYS 62 -9.253 14.556 -22.229 468 1HG LYS 62 2HG LYS 62 -9.228 12.487 -24.413 469 2HG LYS 62 1HG LYS 62 -10.761 13.104 -23.796 470 1HD LYS 62 2HD LYS 62 -10.039 15.409 -24.282 471 2HD LYS 62 1HD LYS 62 -8.498 14.803 -24.889 472 1HE LYS 62 2HE LYS 62 -10.647 13.383 -26.176 473 2HE LYS 62 1HE LYS 62 -10.919 15.119 -26.333 474 1HZ LYS 62 1HZ LYS 62 -8.866 13.466 -27.498 475 2HZ LYS 62 2HZ LYS 62 -8.279 14.902 -26.804 476 3HZ LYS 62 3HZ LYS 62 -9.473 14.965 -28.011 477 H MET 63 H MET 63 -6.775 13.063 -20.231 478 HA MET 63 HA MET 63 -6.218 15.892 -19.765 479 1HB MET 63 2HB MET 63 -6.194 13.386 -18.175 480 2HB MET 63 1HB MET 63 -5.076 14.642 -17.647 481 1HG MET 63 2HG MET 63 -6.872 16.252 -17.452 482 2HG MET 63 1HG MET 63 -8.019 15.128 -18.182 483 1HE MET 63 1HE MET 63 -9.645 13.572 -16.424 484 2HE MET 63 2HE MET 63 -8.520 12.347 -15.844 485 3HE MET 63 3HE MET 63 -8.389 12.939 -17.498 486 H GLY 64 H GLY 64 -4.385 13.030 -20.638 487 1HA GLY 64 2HA GLY 64 -2.280 13.822 -21.954 488 2HA GLY 64 1HA GLY 64 -1.856 14.599 -20.427 489 H PHE 65 H PHE 65 -3.286 12.129 -19.148 490 HA PHE 65 HA PHE 65 -0.922 10.682 -18.495 491 1HB PHE 65 2HB PHE 65 -3.851 9.945 -18.295 492 2HB PHE 65 1HB PHE 65 -2.559 8.923 -17.664 493 HD1 PHE 65 HD1 PHE 65 -4.382 12.089 -17.272 494 HD2 PHE 65 HD2 PHE 65 -1.180 9.650 -15.769 495 HE1 PHE 65 HE1 PHE 65 -4.290 13.474 -15.217 496 HE2 PHE 65 HE2 PHE 65 -1.088 11.036 -13.715 497 HZ PHE 65 HZ PHE 65 -2.644 12.948 -13.440 498 H GLU 66 H GLU 66 0.091 8.990 -19.506 499 HA GLU 66 HA GLU 66 -0.900 8.193 -22.160 500 1HB GLU 66 2HB GLU 66 1.647 8.157 -20.736 501 2HB GLU 66 1HB GLU 66 1.332 6.628 -21.559 502 1HG GLU 66 2HG GLU 66 2.482 8.131 -23.094 503 2HG GLU 66 1HG GLU 66 0.821 7.907 -23.644 504 H VAL 67 H VAL 67 -2.846 7.084 -21.317 505 HA VAL 67 HA VAL 67 -2.839 4.930 -19.499 506 HB VAL 67 HB VAL 67 -4.913 5.894 -20.399 507 1HG1 VAL 67 1HG1 VAL 67 -5.613 5.403 -22.697 508 2HG1 VAL 67 2HG1 VAL 67 -4.117 4.512 -22.981 509 3HG1 VAL 67 3HG1 VAL 67 -4.069 6.255 -22.711 510 1HG2 VAL 67 1HG2 VAL 67 -6.000 3.934 -20.062 511 2HG2 VAL 67 2HG2 VAL 67 -4.401 3.204 -19.925 512 3HG2 VAL 67 3HG2 VAL 67 -5.248 3.188 -21.471 513 H LEU 68 H LEU 68 -2.117 2.842 -19.624 514 HA LEU 68 HA LEU 68 -1.044 1.943 -22.268 515 1HB LEU 68 2HB LEU 68 0.376 2.245 -19.962 516 2HB LEU 68 1HB LEU 68 -0.133 0.562 -19.811 517 HG LEU 68 HG LEU 68 1.156 1.693 -22.307 518 1HD1 LEU 68 1HD1 LEU 68 3.146 0.305 -21.449 519 2HD1 LEU 68 2HD1 LEU 68 2.346 0.345 -19.878 520 3HD1 LEU 68 3HD1 LEU 68 2.851 1.849 -20.649 521 1HD2 LEU 68 1HD2 LEU 68 0.407 -1.066 -21.321 522 2HD2 LEU 68 2HD2 LEU 68 1.596 -0.830 -22.603 523 3HD2 LEU 68 3HD2 LEU 68 -0.064 -0.281 -22.828 524 H GLU 69 H GLU 69 -1.745 -0.031 -23.050 525 HA GLU 69 HA GLU 69 -4.182 -1.130 -22.475 526 1HB GLU 69 2HB GLU 69 -1.663 -2.249 -23.572 527 2HB GLU 69 1HB GLU 69 -2.848 -3.433 -23.018 528 1HG GLU 69 2HG GLU 69 -3.227 -2.895 -25.387 529 2HG GLU 69 1HG GLU 69 -4.581 -2.333 -24.405 530 H ALA 70 H ALA 70 -4.808 -3.126 -21.269 531 HA ALA 70 HA ALA 70 -3.426 -3.180 -18.628 532 1HB ALA 70 1HB ALA 70 -5.556 -4.266 -17.846 533 2HB ALA 70 2HB ALA 70 -6.212 -4.030 -19.466 534 3HB ALA 70 3HB ALA 70 -5.783 -2.635 -18.477 535 H GLU 71 H GLU 71 -3.833 -5.512 -17.563 536 HA GLU 71 HA GLU 71 -3.426 -7.676 -19.539 537 1HB GLU 71 2HB GLU 71 -1.160 -6.687 -18.956 538 2HB GLU 71 1HB GLU 71 -1.438 -7.225 -17.299 539 1HG GLU 71 2HG GLU 71 -1.943 -9.541 -18.407 540 2HG GLU 71 1HG GLU 71 -1.052 -8.881 -19.779 541 H GLU 72 H GLU 72 -5.163 -8.878 -18.845 542 HA GLU 72 HA GLU 72 -6.447 -9.106 -16.471 543 1HB GLU 72 2HB GLU 72 -5.576 -11.313 -18.336 544 2HB GLU 72 1HB GLU 72 -6.575 -11.647 -16.921 545 1HG GLU 72 2HG GLU 72 -8.193 -9.901 -17.737 546 2HG GLU 72 1HG GLU 72 -7.239 -9.782 -19.216 547 H THR 73 H THR 73 -5.565 -9.047 -14.458 548 HA THR 73 HA THR 73 -3.268 -10.887 -13.903 549 HB THR 73 HB THR 73 -2.712 -8.444 -13.750 550 HG1 THR 73 HG1 THR 73 -2.512 -9.020 -11.144 551 1HG2 THR 73 1HG2 THR 73 -4.743 -8.523 -11.502 552 2HG2 THR 73 2HG2 THR 73 -4.928 -7.656 -13.026 553 3HG2 THR 73 3HG2 THR 73 -3.686 -7.163 -11.876 554 H GLU 74 H GLU 74 -3.364 -10.596 -11.088 555 HA GLU 74 HA GLU 74 -6.045 -11.767 -10.458 556 1HB GLU 74 2HB GLU 74 -3.279 -12.639 -9.622 557 2HB GLU 74 1HB GLU 74 -4.702 -13.080 -8.677 558 1HG GLU 74 2HG GLU 74 -5.628 -14.349 -10.426 559 2HG GLU 74 1HG GLU 74 -4.634 -13.557 -11.649 560 H ASP 75 H ASP 75 -7.025 -10.984 -8.601 561 HA ASP 75 HA ASP 75 -6.169 -8.486 -7.522 562 1HB ASP 75 2HB ASP 75 -8.510 -9.742 -7.461 563 2HB ASP 75 1HB ASP 75 -7.910 -10.307 -5.902 564 H GLU 76 H GLU 76 -6.830 -9.731 -4.680 565 HA GLU 76 HA GLU 76 -3.962 -10.297 -4.066 566 1HB GLU 76 2HB GLU 76 -6.118 -8.820 -2.682 567 2HB GLU 76 1HB GLU 76 -5.138 -9.851 -1.638 568 1HG GLU 76 2HG GLU 76 -3.997 -7.837 -3.597 569 2HG GLU 76 1HG GLU 76 -4.218 -7.530 -1.873 570 H ASP 77 H ASP 77 -7.075 -11.707 -4.212 571 HA ASP 77 HA ASP 77 -6.236 -13.922 -2.395 572 1HB ASP 77 2HB ASP 77 -8.480 -12.761 -2.049 573 2HB ASP 77 1HB ASP 77 -8.985 -13.475 -3.581 574 H GLY 78 H GLY 78 -6.894 -13.092 -5.705 575 1HA GLY 78 2HA GLY 78 -5.773 -14.640 -7.351 576 2HA GLY 78 1HA GLY 78 -6.509 -15.965 -6.449 577 H ASN 79 H ASN 79 -7.185 -13.263 -8.613 578 HA ASN 79 HA ASN 79 -9.630 -14.684 -9.501 579 1HB ASN 79 2HB ASN 79 -9.546 -12.023 -8.156 580 2HB ASN 79 1HB ASN 79 -10.632 -12.194 -9.535 581 1HD2 ASN 79 1HD2 ASN 79 -9.744 -14.036 -6.553 582 2HD2 ASN 79 2HD2 ASN 79 -11.329 -14.547 -6.224 583 H LYS 80 H LYS 80 -10.538 -12.591 -11.198 584 HA LYS 80 HA LYS 80 -8.184 -12.069 -12.952 585 1HB LYS 80 2HB LYS 80 -10.826 -13.300 -13.789 586 2HB LYS 80 1HB LYS 80 -9.613 -12.697 -14.920 587 1HG LYS 80 2HG LYS 80 -8.015 -14.258 -13.455 588 2HG LYS 80 1HG LYS 80 -9.532 -15.111 -13.165 589 1HD LYS 80 2HD LYS 80 -8.438 -16.058 -15.131 590 2HD LYS 80 1HD LYS 80 -9.905 -15.213 -15.628 591 1HE LYS 80 2HE LYS 80 -8.735 -13.751 -16.885 592 2HE LYS 80 1HE LYS 80 -7.613 -13.419 -15.564 593 1HZ LYS 80 1HZ LYS 80 -7.387 -15.303 -17.763 594 2HZ LYS 80 2HZ LYS 80 -6.843 -15.861 -16.254 595 3HZ LYS 80 3HZ LYS 80 -6.177 -14.452 -16.932 596 H LEU 81 H LEU 81 -8.123 -9.886 -13.129 597 HA LEU 81 HA LEU 81 -10.668 -8.463 -13.739 598 1HB LEU 81 2HB LEU 81 -9.768 -6.581 -12.233 599 2HB LEU 81 1HB LEU 81 -10.428 -8.001 -11.419 600 HG LEU 81 HG LEU 81 -7.542 -8.127 -12.094 601 1HD1 LEU 81 1HD1 LEU 81 -7.080 -6.821 -9.923 602 2HD1 LEU 81 2HD1 LEU 81 -8.708 -6.170 -10.109 603 3HD1 LEU 81 3HD1 LEU 81 -7.491 -5.872 -11.351 604 1HD2 LEU 81 1HD2 LEU 81 -9.126 -8.719 -9.573 605 2HD2 LEU 81 2HD2 LEU 81 -7.463 -9.209 -9.898 606 3HD2 LEU 81 3HD2 LEU 81 -8.784 -9.892 -10.845 607 H LEU 82 H LEU 82 -10.278 -6.364 -14.799 608 HA LEU 82 HA LEU 82 -7.874 -6.483 -16.508 609 1HB LEU 82 2HB LEU 82 -10.374 -4.777 -16.526 610 2HB LEU 82 1HB LEU 82 -9.015 -4.473 -17.610 611 HG LEU 82 HG LEU 82 -9.222 -6.999 -18.204 612 1HD1 LEU 82 1HD1 LEU 82 -11.910 -6.403 -16.938 613 2HD1 LEU 82 2HD1 LEU 82 -10.770 -7.666 -16.473 614 3HD1 LEU 82 3HD1 LEU 82 -11.619 -7.769 -18.015 615 1HD2 LEU 82 1HD2 LEU 82 -9.717 -5.297 -19.835 616 2HD2 LEU 82 2HD2 LEU 82 -11.231 -4.886 -19.031 617 3HD2 LEU 82 3HD2 LEU 82 -11.064 -6.435 -19.857 618 H CYS 83 H CYS 83 -6.095 -5.253 -16.115 619 HA CYS 83 HA CYS 83 -6.410 -2.920 -14.272 620 1HB CYS 83 2HB CYS 83 -4.176 -3.428 -13.380 621 2HB CYS 83 1HB CYS 83 -5.255 -4.806 -13.161 622 HG CYS 83 HG CYS 83 -2.823 -4.715 -15.053 623 H PHE 84 H PHE 84 -6.244 -1.183 -15.649 624 HA PHE 84 HA PHE 84 -4.186 -1.278 -17.793 625 1HB PHE 84 2HB PHE 84 -5.270 0.846 -18.565 626 2HB PHE 84 1HB PHE 84 -6.382 -0.522 -18.521 627 HD1 PHE 84 HD1 PHE 84 -5.756 2.813 -17.373 628 HD2 PHE 84 HD2 PHE 84 -7.810 -0.828 -16.384 629 HE1 PHE 84 HE1 PHE 84 -7.242 4.069 -15.836 630 HE2 PHE 84 HE2 PHE 84 -9.296 0.429 -14.846 631 HZ PHE 84 HZ PHE 84 -9.011 2.877 -14.573 632 H ASP 85 H ASP 85 -2.666 0.540 -17.981 633 HA ASP 85 HA ASP 85 -2.230 1.935 -15.369 634 1HB ASP 85 2HB ASP 85 0.233 1.556 -16.838 635 2HB ASP 85 1HB ASP 85 -0.172 1.041 -15.200 636 H ALA 86 H ALA 86 -0.770 3.893 -15.656 637 HA ALA 86 HA ALA 86 -0.977 5.123 -18.352 638 1HB ALA 86 1HB ALA 86 -1.567 7.201 -16.552 639 2HB ALA 86 2HB ALA 86 -2.578 5.849 -16.040 640 3HB ALA 86 3HB ALA 86 -2.682 6.451 -17.696 641 H THR 87 H THR 87 0.586 6.831 -18.660 642 HA THR 87 HA THR 87 2.606 7.058 -16.470 643 HB THR 87 HB THR 87 4.264 7.214 -18.515 644 HG1 THR 87 HG1 THR 87 3.513 5.753 -20.159 645 1HG2 THR 87 1HG2 THR 87 4.470 4.675 -18.419 646 2HG2 THR 87 2HG2 THR 87 3.045 4.691 -17.382 647 3HG2 THR 87 3HG2 THR 87 4.520 5.506 -16.863 648 H MET 88 H MET 88 3.877 9.047 -16.566 649 HA MET 88 HA MET 88 2.984 11.147 -18.427 650 1HB MET 88 2HB MET 88 1.288 11.307 -16.673 651 2HB MET 88 1HB MET 88 2.542 11.351 -15.433 652 1HG MET 88 2HG MET 88 3.434 13.444 -16.494 653 2HG MET 88 1HG MET 88 2.052 13.425 -17.589 654 1HE MET 88 1HE MET 88 0.284 15.408 -16.891 655 2HE MET 88 2HE MET 88 -0.867 14.562 -15.860 656 3HE MET 88 3HE MET 88 -0.105 13.711 -17.202 657 H GLN 89 H GLN 89 4.891 12.037 -19.047 658 HA GLN 89 HA GLN 89 7.229 11.913 -17.260 659 1HB GLN 89 2HB GLN 89 6.742 12.603 -20.129 660 2HB GLN 89 1HB GLN 89 8.173 13.281 -19.351 661 1HG GLN 89 2HG GLN 89 8.660 11.099 -20.428 662 2HG GLN 89 1HG GLN 89 8.900 11.036 -18.682 663 1HE2 GLN 89 1HE2 GLN 89 5.633 11.115 -20.000 664 2HE2 GLN 89 2HE2 GLN 89 5.247 9.504 -19.633 665 H SER 90 H SER 90 7.977 13.633 -16.066 666 HA SER 90 HA SER 90 7.388 16.387 -16.772 667 1HB SER 90 2HB SER 90 5.863 16.959 -15.054 668 2HB SER 90 1HB SER 90 5.226 15.453 -15.708 669 HG SER 90 HG SER 90 6.525 15.970 -13.283 670 H ALA 91 H ALA 91 7.859 17.697 -14.459 671 HA ALA 91 HA ALA 91 10.596 16.792 -13.780 672 1HB ALA 91 1HB ALA 91 10.697 19.066 -12.644 673 2HB ALA 91 2HB ALA 91 9.091 19.376 -13.305 674 3HB ALA 91 3HB ALA 91 10.455 19.108 -14.391 675 H LEU 92 H LEU 92 10.895 15.617 -11.959 676 HA LEU 92 HA LEU 92 9.073 14.739 -10.124 677 1HB LEU 92 2HB LEU 92 11.417 14.044 -10.041 678 2HB LEU 92 1HB LEU 92 11.901 15.652 -9.504 679 HG LEU 92 HG LEU 92 10.357 15.306 -7.499 680 1HD1 LEU 92 1HD1 LEU 92 10.552 12.431 -7.545 681 2HD1 LEU 92 2HD1 LEU 92 9.689 12.982 -8.980 682 3HD1 LEU 92 3HD1 LEU 92 9.113 13.434 -7.376 683 1HD2 LEU 92 1HD2 LEU 92 12.854 15.068 -7.448 684 2HD2 LEU 92 2HD2 LEU 92 12.657 13.348 -7.786 685 3HD2 LEU 92 3HD2 LEU 92 12.033 14.029 -6.283 686 H ASP 93 H ASP 93 7.856 15.598 -8.483 687 HA ASP 93 HA ASP 93 8.541 17.895 -6.942 688 1HB ASP 93 2HB ASP 93 7.039 18.380 -9.477 689 2HB ASP 93 1HB ASP 93 6.521 19.267 -8.043 690 H ALA 94 H ALA 94 7.536 17.215 -5.111 691 HA ALA 94 HA ALA 94 5.442 15.412 -4.850 692 1HB ALA 94 1HB ALA 94 5.726 17.835 -3.058 693 2HB ALA 94 2HB ALA 94 6.835 16.466 -2.991 694 3HB ALA 94 3HB ALA 94 5.125 16.235 -2.623 695 H LYS 95 H LYS 95 4.882 18.924 -4.415 696 HA LYS 95 HA LYS 95 2.144 19.009 -4.533 697 1HB LYS 95 2HB LYS 95 3.716 20.938 -6.233 698 2HB LYS 95 1HB LYS 95 2.294 21.253 -5.237 699 1HG LYS 95 2HG LYS 95 4.165 20.253 -3.429 700 2HG LYS 95 1HG LYS 95 5.115 21.291 -4.492 701 1HD LYS 95 2HD LYS 95 2.522 22.143 -3.174 702 2HD LYS 95 1HD LYS 95 4.122 22.504 -2.525 703 1HE LYS 95 2HE LYS 95 4.636 23.521 -4.836 704 2HE LYS 95 1HE LYS 95 2.895 23.468 -5.109 705 1HZ LYS 95 1HZ LYS 95 2.630 25.256 -3.856 706 2HZ LYS 95 2HZ LYS 95 4.319 25.401 -3.739 707 3HZ LYS 95 3HZ LYS 95 3.454 24.543 -2.555 708 H LEU 96 H LEU 96 4.261 18.910 -7.417 709 HA LEU 96 HA LEU 96 2.185 18.921 -9.353 710 1HB LEU 96 2HB LEU 96 4.898 18.882 -9.480 711 2HB LEU 96 1HB LEU 96 4.538 17.215 -9.936 712 HG LEU 96 HG LEU 96 3.200 19.621 -11.200 713 1HD1 LEU 96 1HD1 LEU 96 5.682 19.536 -11.609 714 2HD1 LEU 96 2HD1 LEU 96 4.716 19.339 -13.072 715 3HD1 LEU 96 3HD1 LEU 96 5.461 17.933 -12.311 716 1HD2 LEU 96 1HD2 LEU 96 3.089 17.546 -12.975 717 2HD2 LEU 96 2HD2 LEU 96 1.809 17.919 -11.822 718 3HD2 LEU 96 3HD2 LEU 96 3.001 16.677 -11.444 719 H ILE 97 H ILE 97 3.927 16.093 -7.999 720 HA ILE 97 HA ILE 97 2.335 14.115 -9.258 721 HB ILE 97 HB ILE 97 3.682 13.988 -6.542 722 1HG1 ILE 97 2HG1 ILE 97 4.788 12.860 -9.098 723 2HG1 ILE 97 1HG1 ILE 97 4.995 14.577 -8.754 724 1HG2 ILE 97 1HG2 ILE 97 2.616 11.872 -8.428 725 2HG2 ILE 97 2HG2 ILE 97 2.157 12.146 -6.747 726 3HG2 ILE 97 3HG2 ILE 97 3.758 11.513 -7.132 727 1HD1 ILE 97 1HD1 ILE 97 5.817 12.310 -6.915 728 2HD1 ILE 97 2HD1 ILE 97 6.037 14.030 -6.591 729 3HD1 ILE 97 3HD1 ILE 97 6.914 13.263 -7.915 730 H ASP 98 H ASP 98 1.730 16.062 -6.395 731 HA ASP 98 HA ASP 98 -0.410 14.509 -5.305 732 1HB ASP 98 2HB ASP 98 0.184 17.478 -5.191 733 2HB ASP 98 1HB ASP 98 -1.118 16.715 -4.279 734 H GLU 99 H GLU 99 -0.360 17.117 -7.727 735 HA GLU 99 HA GLU 99 -3.208 17.275 -8.051 736 1HB GLU 99 2HB GLU 99 -0.812 18.207 -9.529 737 2HB GLU 99 1HB GLU 99 -2.269 18.001 -10.501 738 1HG GLU 99 2HG GLU 99 -3.513 19.363 -8.782 739 2HG GLU 99 1HG GLU 99 -1.961 19.701 -8.013 740 H GLN 100 H GLN 100 -0.701 15.338 -9.668 741 HA GLN 100 HA GLN 100 -2.430 14.145 -11.614 742 1HB GLN 100 2HB GLN 100 -0.019 12.803 -10.376 743 2HB GLN 100 1HB GLN 100 -0.660 12.591 -12.005 744 1HG GLN 100 2HG GLN 100 0.791 14.978 -10.864 745 2HG GLN 100 1HG GLN 100 1.203 14.028 -12.292 746 1HE2 GLN 100 1HE2 GLN 100 0.321 17.025 -11.757 747 2HE2 GLN 100 2HE2 GLN 100 -0.825 17.290 -12.981 748 H VAL 101 H VAL 101 -1.352 12.967 -8.409 749 HA VAL 101 HA VAL 101 -2.932 10.571 -8.495 750 HB VAL 101 HB VAL 101 -1.959 12.136 -6.083 751 1HG1 VAL 101 1HG1 VAL 101 -2.021 9.396 -5.528 752 2HG1 VAL 101 2HG1 VAL 101 -3.522 9.695 -6.404 753 3HG1 VAL 101 3HG1 VAL 101 -3.162 10.605 -4.937 754 1HG2 VAL 101 1HG2 VAL 101 -0.693 9.721 -7.401 755 2HG2 VAL 101 2HG2 VAL 101 0.006 10.771 -6.168 756 3HG2 VAL 101 3HG2 VAL 101 -0.230 11.373 -7.810 757 H GLU 102 H GLU 102 -3.499 13.561 -6.591 758 HA GLU 102 HA GLU 102 -6.060 13.024 -5.666 759 1HB GLU 102 2HB GLU 102 -4.771 15.108 -5.179 760 2HB GLU 102 1HB GLU 102 -5.159 15.691 -6.799 761 1HG GLU 102 2HG GLU 102 -7.585 15.476 -6.254 762 2HG GLU 102 1HG GLU 102 -7.145 15.018 -4.608 763 H LYS 103 H LYS 103 -5.098 13.887 -8.943 764 HA LYS 103 HA LYS 103 -7.795 14.349 -9.901 765 1HB LYS 103 2HB LYS 103 -5.116 13.915 -11.193 766 2HB LYS 103 1HB LYS 103 -6.580 13.858 -12.177 767 1HG LYS 103 2HG LYS 103 -7.139 16.096 -11.693 768 2HG LYS 103 1HG LYS 103 -6.081 16.149 -10.283 769 1HD LYS 103 2HD LYS 103 -4.255 16.666 -11.527 770 2HD LYS 103 1HD LYS 103 -4.682 15.516 -12.794 771 1HE LYS 103 2HE LYS 103 -6.349 17.984 -12.500 772 2HE LYS 103 1HE LYS 103 -4.760 18.130 -13.253 773 1HZ LYS 103 1HZ LYS 103 -6.271 17.675 -14.978 774 2HZ LYS 103 2HZ LYS 103 -7.031 16.431 -14.107 775 3HZ LYS 103 3HZ LYS 103 -5.453 16.216 -14.701 776 H LEU 104 H LEU 104 -5.520 11.655 -10.571 777 HA LEU 104 HA LEU 104 -7.437 9.929 -11.739 778 1HB LEU 104 2HB LEU 104 -4.890 9.363 -10.207 779 2HB LEU 104 1HB LEU 104 -5.847 8.084 -10.954 780 HG LEU 104 HG LEU 104 -5.105 10.472 -12.605 781 1HD1 LEU 104 1HD1 LEU 104 -3.271 8.172 -11.876 782 2HD1 LEU 104 2HD1 LEU 104 -2.972 9.892 -11.631 783 3HD1 LEU 104 3HD1 LEU 104 -3.008 9.227 -13.264 784 1HD2 LEU 104 1HD2 LEU 104 -4.917 7.697 -13.616 785 2HD2 LEU 104 2HD2 LEU 104 -5.691 9.107 -14.338 786 3HD2 LEU 104 3HD2 LEU 104 -6.527 8.185 -13.088 787 H VAL 105 H VAL 105 -7.105 10.945 -8.487 788 HA VAL 105 HA VAL 105 -8.416 8.582 -7.330 789 HB VAL 105 HB VAL 105 -7.758 11.299 -6.149 790 1HG1 VAL 105 1HG1 VAL 105 -9.462 10.499 -4.762 791 2HG1 VAL 105 2HG1 VAL 105 -8.029 9.821 -3.991 792 3HG1 VAL 105 3HG1 VAL 105 -9.031 8.812 -5.037 793 1HG2 VAL 105 1HG2 VAL 105 -6.004 9.366 -6.901 794 2HG2 VAL 105 2HG2 VAL 105 -6.401 8.808 -5.276 795 3HG2 VAL 105 3HG2 VAL 105 -5.739 10.425 -5.515 796 H ASN 106 H ASN 106 -9.319 12.046 -7.215 797 HA ASN 106 HA ASN 106 -12.029 11.685 -6.613 798 1HB ASN 106 2HB ASN 106 -11.338 13.830 -8.572 799 2HB ASN 106 1HB ASN 106 -12.281 13.929 -7.084 800 1HD2 ASN 106 1HD2 ASN 106 -10.234 12.554 -5.432 801 2HD2 ASN 106 2HD2 ASN 106 -8.959 13.659 -5.240 802 H LEU 107 H LEU 107 -10.429 11.569 -9.778 803 HA LEU 107 HA LEU 107 -12.898 11.313 -11.276 804 1HB LEU 107 2HB LEU 107 -10.996 12.089 -12.492 805 2HB LEU 107 1HB LEU 107 -10.000 10.745 -11.931 806 HG LEU 107 HG LEU 107 -12.455 9.905 -13.320 807 1HD1 LEU 107 1HD1 LEU 107 -10.246 11.201 -14.937 808 2HD1 LEU 107 2HD1 LEU 107 -11.764 12.014 -14.557 809 3HD1 LEU 107 3HD1 LEU 107 -11.771 10.545 -15.534 810 1HD2 LEU 107 1HD2 LEU 107 -9.649 9.222 -14.128 811 2HD2 LEU 107 2HD2 LEU 107 -11.073 8.184 -14.055 812 3HD2 LEU 107 3HD2 LEU 107 -10.242 8.647 -12.570 813 H ALA 108 H ALA 108 -10.533 9.023 -9.946 814 HA ALA 108 HA ALA 108 -11.486 6.640 -11.097 815 1HB ALA 108 1HB ALA 108 -9.566 6.317 -9.828 816 2HB ALA 108 2HB ALA 108 -10.790 5.679 -8.729 817 3HB ALA 108 3HB ALA 108 -10.158 7.309 -8.496 818 H GLU 109 H GLU 109 -12.499 8.062 -7.966 819 HA GLU 109 HA GLU 109 -14.676 6.186 -7.640 820 1HB GLU 109 2HB GLU 109 -14.107 8.868 -6.342 821 2HB GLU 109 1HB GLU 109 -15.417 7.791 -5.850 822 1HG GLU 109 2HG GLU 109 -12.468 7.077 -5.874 823 2HG GLU 109 1HG GLU 109 -13.419 7.456 -4.437 824 H LYS 110 H LYS 110 -14.377 9.411 -9.056 825 HA LYS 110 HA LYS 110 -17.145 10.021 -9.284 826 1HB LYS 110 2HB LYS 110 -15.206 11.575 -9.788 827 2HB LYS 110 1HB LYS 110 -15.016 10.725 -11.321 828 1HG LYS 110 2HG LYS 110 -17.194 11.382 -12.061 829 2HG LYS 110 1HG LYS 110 -17.638 11.956 -10.453 830 1HD LYS 110 2HD LYS 110 -15.638 13.584 -10.704 831 2HD LYS 110 1HD LYS 110 -15.717 13.193 -12.422 832 1HE LYS 110 2HE LYS 110 -17.809 14.525 -10.703 833 2HE LYS 110 1HE LYS 110 -17.103 15.095 -12.216 834 1HZ LYS 110 1HZ LYS 110 -18.965 12.814 -11.855 835 2HZ LYS 110 2HZ LYS 110 -18.157 13.153 -13.310 836 3HZ LYS 110 3HZ LYS 110 -19.270 14.267 -12.673 837 H PHE 111 H PHE 111 -15.172 7.712 -10.953 838 HA PHE 111 HA PHE 111 -17.273 7.317 -13.028 839 1HB PHE 111 2HB PHE 111 -14.403 6.424 -12.760 840 2HB PHE 111 1HB PHE 111 -15.497 5.621 -13.886 841 HD1 PHE 111 HD1 PHE 111 -14.854 9.173 -12.845 842 HD2 PHE 111 HD2 PHE 111 -15.287 6.375 -16.073 843 HE1 PHE 111 HE1 PHE 111 -14.513 11.008 -14.478 844 HE2 PHE 111 HE2 PHE 111 -14.946 8.209 -17.707 845 HZ PHE 111 HZ PHE 111 -14.559 10.525 -16.910 846 H ASP 112 H ASP 112 -15.134 4.970 -11.411 847 HA ASP 112 HA ASP 112 -16.863 3.706 -9.666 848 1HB ASP 112 2HB ASP 112 -17.715 3.327 -12.435 849 2HB ASP 112 1HB ASP 112 -17.425 1.793 -11.612 850 H ILE 113 H ILE 113 -14.032 4.021 -10.343 851 HA ILE 113 HA ILE 113 -13.249 1.133 -10.431 852 HB ILE 113 HB ILE 113 -11.049 1.955 -11.327 853 1HG1 ILE 113 2HG1 ILE 113 -12.590 4.567 -11.437 854 2HG1 ILE 113 1HG1 ILE 113 -11.111 4.250 -10.528 855 1HG2 ILE 113 1HG2 ILE 113 -13.227 2.961 -13.135 856 2HG2 ILE 113 2HG2 ILE 113 -13.183 1.253 -12.697 857 3HG2 ILE 113 3HG2 ILE 113 -11.813 1.985 -13.533 858 1HD1 ILE 113 1HD1 ILE 113 -10.370 5.356 -12.491 859 2HD1 ILE 113 2HD1 ILE 113 -11.463 4.432 -13.521 860 3HD1 ILE 113 3HD1 ILE 113 -10.056 3.649 -12.802 861 H ILE 114 H ILE 114 -10.876 0.990 -9.397 862 HA ILE 114 HA ILE 114 -10.974 2.528 -6.831 863 HB ILE 114 HB ILE 114 -11.485 0.277 -6.266 864 1HG1 ILE 114 2HG1 ILE 114 -9.540 -0.455 -4.990 865 2HG1 ILE 114 1HG1 ILE 114 -8.471 0.518 -6.000 866 1HG2 ILE 114 1HG2 ILE 114 -11.100 -1.145 -8.012 867 2HG2 ILE 114 2HG2 ILE 114 -9.579 -1.439 -7.170 868 3HG2 ILE 114 3HG2 ILE 114 -9.639 -0.295 -8.512 869 1HD1 ILE 114 1HD1 ILE 114 -10.746 1.922 -4.680 870 2HD1 ILE 114 2HD1 ILE 114 -9.113 2.497 -5.017 871 3HD1 ILE 114 3HD1 ILE 114 -9.404 1.417 -3.654 872 H TYR 115 H TYR 115 -9.345 4.006 -6.932 873 HA TYR 115 HA TYR 115 -6.891 3.404 -8.449 874 1HB TYR 115 2HB TYR 115 -7.605 5.641 -8.737 875 2HB TYR 115 1HB TYR 115 -7.953 5.840 -7.019 876 HD1 TYR 115 HD1 TYR 115 -5.394 5.962 -9.610 877 HD2 TYR 115 HD2 TYR 115 -6.079 5.984 -5.370 878 HE1 TYR 115 HE1 TYR 115 -3.098 6.826 -9.243 879 HE2 TYR 115 HE2 TYR 115 -3.783 6.846 -5.003 880 HH TYR 115 HH TYR 115 -1.566 6.775 -6.293 881 H ASP 116 H ASP 116 -5.102 2.559 -7.499 882 HA ASP 116 HA ASP 116 -4.157 3.287 -4.900 883 1HB ASP 116 2HB ASP 116 -6.090 1.984 -4.113 884 2HB ASP 116 1HB ASP 116 -5.556 0.600 -5.069 885 H GLY 117 H GLY 117 -2.319 3.406 -6.414 886 1HA GLY 117 2HA GLY 117 -0.382 1.476 -6.157 887 2HA GLY 117 1HA GLY 117 -1.288 0.923 -7.566 888 H TRP 118 H TRP 118 0.571 3.666 -6.287 889 HA TRP 118 HA TRP 118 1.104 4.458 -9.122 890 1HB TRP 118 2HB TRP 118 0.840 6.688 -8.622 891 2HB TRP 118 1HB TRP 118 -0.255 6.025 -7.409 892 HD1 TRP 118 HD1 TRP 118 0.527 6.045 -4.886 893 HE1 TRP 118 HE1 TRP 118 2.409 7.310 -3.657 894 HE3 TRP 118 HE3 TRP 118 3.284 7.626 -8.883 895 HZ2 TRP 118 HZ2 TRP 118 4.771 8.796 -4.288 896 HZ3 TRP 118 HZ3 TRP 118 5.342 8.963 -8.542 897 HH2 TRP 118 HH2 TRP 118 6.089 9.550 -6.250 898 H GLY 119 H GLY 119 3.270 5.018 -9.607 899 1HA GLY 119 2HA GLY 119 5.300 5.108 -7.513 900 2HA GLY 119 1HA GLY 119 5.356 3.623 -8.465 901 H THR 120 H THR 120 7.562 5.172 -8.634 902 HA THR 120 HA THR 120 7.344 6.285 -11.389 903 HB THR 120 HB THR 120 7.416 8.310 -10.224 904 HG1 THR 120 HG1 THR 120 9.134 8.733 -11.353 905 1HG2 THR 120 1HG2 THR 120 8.696 8.654 -8.157 906 2HG2 THR 120 2HG2 THR 120 9.334 7.014 -8.266 907 3HG2 THR 120 3HG2 THR 120 7.612 7.273 -7.985 908 H TYR 121 H TYR 121 9.763 6.715 -12.167 909 HA TYR 121 HA TYR 121 11.383 4.355 -11.291 910 1HB TYR 121 2HB TYR 121 10.286 4.450 -13.687 911 2HB TYR 121 1HB TYR 121 11.628 5.538 -14.040 912 HD1 TYR 121 HD1 TYR 121 13.996 4.751 -13.658 913 HD2 TYR 121 HD2 TYR 121 10.622 2.099 -13.466 914 HE1 TYR 121 HE1 TYR 121 15.512 2.804 -13.897 915 HE2 TYR 121 HE2 TYR 121 12.140 0.151 -13.705 916 HH TYR 121 HH TYR 121 15.149 0.084 -13.087 917 H TYR 122 H TYR 122 13.334 4.904 -10.455 918 HA TYR 122 HA TYR 122 14.221 7.654 -10.392 919 1HB TYR 122 2HB TYR 122 14.877 6.342 -8.533 920 2HB TYR 122 1HB TYR 122 15.459 5.030 -9.558 921 HD1 TYR 122 HD1 TYR 122 17.663 5.058 -10.499 922 HD2 TYR 122 HD2 TYR 122 16.143 8.500 -8.428 923 HE1 TYR 122 HE1 TYR 122 19.932 6.061 -10.501 924 HE2 TYR 122 HE2 TYR 122 18.412 9.503 -8.430 925 HH TYR 122 HH TYR 122 20.567 9.169 -10.047 926 H GLU 123 H GLU 123 15.804 8.657 -11.634 927 HA GLU 123 HA GLU 123 16.960 7.022 -13.859 928 1HB GLU 123 2HB GLU 123 15.167 9.092 -14.147 929 2HB GLU 123 1HB GLU 123 16.716 9.915 -14.337 930 1HG GLU 123 2HG GLU 123 17.370 8.462 -16.128 931 2HG GLU 123 1HG GLU 123 16.021 7.368 -15.818 932 H GLY 124 H GLY 124 18.918 8.373 -14.838 933 1HA GLY 124 2HA GLY 124 20.686 10.039 -14.131 934 2HA GLY 124 1HA GLY 124 20.551 9.333 -12.519 935 H LEU 125 H LEU 125 20.235 6.597 -13.710 936 HA LEU 125 HA LEU 125 23.063 5.932 -13.783 937 1HB LEU 125 2HB LEU 125 22.132 3.606 -14.331 938 2HB LEU 125 1HB LEU 125 21.635 4.303 -12.788 939 HG LEU 125 HG LEU 125 19.800 5.205 -14.787 940 1HD1 LEU 125 1HD1 LEU 125 18.865 2.935 -15.404 941 2HD1 LEU 125 2HD1 LEU 125 20.364 2.228 -14.801 942 3HD1 LEU 125 3HD1 LEU 125 20.400 3.328 -16.178 943 1HD2 LEU 125 1HD2 LEU 125 19.541 4.751 -12.261 944 2HD2 LEU 125 2HD2 LEU 125 19.308 3.062 -12.711 945 3HD2 LEU 125 3HD2 LEU 125 18.188 4.293 -13.296 946 H GLU 126 H GLU 126 24.310 6.083 -15.580 947 HA GLU 126 HA GLU 126 23.239 6.671 -18.178 948 1HB GLU 126 2HB GLU 126 25.831 6.462 -16.957 949 2HB GLU 126 1HB GLU 126 25.839 5.538 -18.459 950 1HG GLU 126 2HG GLU 126 24.816 8.382 -18.235 951 2HG GLU 126 1HG GLU 126 26.446 7.962 -18.761 952 H HIS 127 H HIS 127 24.676 3.681 -16.838 953 HA HIS 127 HA HIS 127 24.410 1.450 -17.504 954 1HB HIS 127 2HB HIS 127 21.979 2.092 -17.230 955 2HB HIS 127 1HB HIS 127 21.946 2.448 -18.958 956 HD2 HIS 127 HD2 HIS 127 22.435 -0.718 -16.620 957 HE1 HIS 127 HE1 HIS 127 21.588 -2.043 -20.540 958 HE2 HIS 127 HE2 HIS 127 21.945 -2.781 -18.140 959 H HIS 128 H HIS 128 26.272 2.677 -18.974 960 HA HIS 128 HA HIS 128 26.023 1.368 -21.577 961 1HB HIS 128 2HB HIS 128 24.967 3.365 -22.289 962 2HB HIS 128 1HB HIS 128 26.029 4.375 -21.308 963 HD2 HIS 128 HD2 HIS 128 28.481 5.045 -22.526 964 HE1 HIS 128 HE1 HIS 128 27.874 2.871 -26.096 965 HE2 HIS 128 HE2 HIS 128 29.374 4.548 -24.926 966 H HIS 129 H HIS 129 27.863 3.615 -19.526 967 HA HIS 129 HA HIS 129 30.367 2.352 -20.572 968 1HB HIS 129 2HB HIS 129 31.516 4.433 -19.915 969 2HB HIS 129 1HB HIS 129 30.205 4.778 -21.043 970 HD2 HIS 129 HD2 HIS 129 27.791 5.820 -19.712 971 HE1 HIS 129 HE1 HIS 129 29.909 7.048 -16.270 972 HE2 HIS 129 HE2 HIS 129 27.710 7.233 -17.522 973 H HIS 130 H HIS 130 32.059 3.281 -18.509 974 HA HIS 130 HA HIS 130 32.782 2.652 -16.365 975 1HB HIS 130 2HB HIS 130 30.773 4.066 -15.756 976 2HB HIS 130 1HB HIS 130 29.826 2.580 -15.695 977 HD2 HIS 130 HD2 HIS 130 31.905 0.651 -14.044 978 HE1 HIS 130 HE1 HIS 130 31.952 3.733 -11.157 979 HE2 HIS 130 HE2 HIS 130 32.477 1.287 -11.580 980 H HIS 131 H HIS 131 33.621 0.598 -16.598 981 HA HIS 131 HA HIS 131 31.694 -1.664 -16.244 982 1HB HIS 131 2HB HIS 131 33.243 -3.021 -17.671 983 2HB HIS 131 1HB HIS 131 32.483 -1.692 -18.545 984 HD2 HIS 131 HD2 HIS 131 35.767 -3.036 -18.862 985 HE1 HIS 131 HE1 HIS 131 36.658 1.057 -18.309 986 HE2 HIS 131 HE2 HIS 131 37.580 -1.173 -19.089 987 H HIS 132 HN HIS 132 35.240 -1.129 -16.218 988 HA HIS 132 HA HIS 132 35.509 -2.985 -13.960 989 1HB HIS 132 2HB HIS 132 37.169 -2.583 -15.950 990 2HB HIS 132 1HB HIS 132 37.727 -1.226 -14.972 991 HD2 HIS 132 HD2 HIS 132 38.858 -2.003 -12.412 992 HE1 HIS 132 HE1 HIS 132 39.235 -6.082 -13.442 993 HE2 HIS 132 HE2 HIS 132 39.887 -4.306 -11.751 Start of MODEL 12 1 1H MET 1 1H MET 1 -21.834 17.847 5.846 2 2H MET 1 2H MET 1 -21.426 17.164 7.348 3 3H MET 1 3H MET 1 -20.826 18.694 6.915 4 HA MET 1 HA MET 1 -22.879 18.437 8.512 5 1HB MET 1 2HB MET 1 -21.809 20.556 7.768 6 2HB MET 1 1HB MET 1 -22.732 20.474 6.268 7 1HG MET 1 2HG MET 1 -24.571 20.123 8.418 8 2HG MET 1 1HG MET 1 -23.562 21.516 8.806 9 1HE MET 1 1HE MET 1 -22.643 22.826 7.009 10 2HE MET 1 2HE MET 1 -23.889 24.071 7.007 11 3HE MET 1 3HE MET 1 -23.422 23.300 5.493 12 H SER 2 H SER 2 -24.366 19.943 5.846 13 HA SER 2 HA SER 2 -26.150 17.571 5.463 14 1HB SER 2 2HB SER 2 -26.973 19.740 6.785 15 2HB SER 2 1HB SER 2 -27.231 20.341 5.149 16 HG SER 2 HG SER 2 -29.042 19.190 6.076 17 H HIS 3 H HIS 3 -24.337 20.155 4.030 18 HA HIS 3 HA HIS 3 -25.518 19.559 1.358 19 1HB HIS 3 2HB HIS 3 -24.886 21.970 2.518 20 2HB HIS 3 1HB HIS 3 -23.457 21.656 1.534 21 HD2 HIS 3 HD2 HIS 3 -27.342 22.178 1.005 22 HE1 HIS 3 HE1 HIS 3 -25.425 22.436 -2.749 23 HE2 HIS 3 HE2 HIS 3 -27.633 22.710 -1.531 24 H GLN 4 H GLN 4 -24.384 18.280 -0.021 25 HA GLN 4 HA GLN 4 -22.608 17.040 -0.925 26 1HB GLN 4 2HB GLN 4 -20.677 18.970 0.333 27 2HB GLN 4 1HB GLN 4 -20.604 18.196 -1.251 28 1HG GLN 4 2HG GLN 4 -22.289 20.536 -0.376 29 2HG GLN 4 1HG GLN 4 -21.221 20.405 -1.774 30 1HE2 GLN 4 1HE2 GLN 4 -22.096 17.932 -2.859 31 2HE2 GLN 4 2HE2 GLN 4 -23.706 18.095 -3.372 32 H ASP 5 H ASP 5 -23.301 15.520 0.914 33 HA ASP 5 HA ASP 5 -20.890 14.918 2.538 34 1HB ASP 5 2HB ASP 5 -22.842 16.251 3.778 35 2HB ASP 5 1HB ASP 5 -23.543 14.636 3.888 36 H ASP 6 H ASP 6 -20.413 12.795 2.280 37 HA ASP 6 HA ASP 6 -22.656 10.884 1.812 38 1HB ASP 6 2HB ASP 6 -21.006 9.717 0.192 39 2HB ASP 6 1HB ASP 6 -21.829 11.166 -0.386 40 H TYR 7 H TYR 7 -19.135 10.397 1.761 41 HA TYR 7 HA TYR 7 -19.276 9.099 4.425 42 1HB TYR 7 2HB TYR 7 -18.459 7.724 1.855 43 2HB TYR 7 1HB TYR 7 -17.992 7.122 3.446 44 HD1 TYR 7 HD1 TYR 7 -20.822 7.748 1.158 45 HD2 TYR 7 HD2 TYR 7 -19.624 6.158 4.964 46 HE1 TYR 7 HE1 TYR 7 -23.035 6.655 1.396 47 HE2 TYR 7 HE2 TYR 7 -21.837 5.064 5.203 48 HH TYR 7 HH TYR 7 -23.727 4.481 4.100 49 H LEU 8 H LEU 8 -16.916 8.352 5.009 50 HA LEU 8 HA LEU 8 -15.023 10.432 3.984 51 1HB LEU 8 2HB LEU 8 -15.415 9.325 6.772 52 2HB LEU 8 1HB LEU 8 -13.953 10.194 6.300 53 HG LEU 8 HG LEU 8 -16.700 11.359 5.837 54 1HD1 LEU 8 1HD1 LEU 8 -14.933 11.700 8.280 55 2HD1 LEU 8 2HD1 LEU 8 -16.480 10.854 8.244 56 3HD1 LEU 8 3HD1 LEU 8 -16.419 12.592 7.955 57 1HD2 LEU 8 1HD2 LEU 8 -14.015 12.122 5.231 58 2HD2 LEU 8 2HD2 LEU 8 -14.619 13.235 6.458 59 3HD2 LEU 8 3HD2 LEU 8 -15.494 13.037 4.940 60 H SER 9 H SER 9 -13.922 9.138 2.491 61 HA SER 9 HA SER 9 -12.122 7.121 3.656 62 1HB SER 9 2HB SER 9 -13.317 6.037 1.230 63 2HB SER 9 1HB SER 9 -13.089 5.271 2.800 64 HG SER 9 HG SER 9 -15.163 5.518 2.999 65 H VAL 10 H VAL 10 -13.256 7.942 0.357 66 HA VAL 10 HA VAL 10 -10.867 7.778 -1.010 67 HB VAL 10 HB VAL 10 -12.846 10.053 -1.338 68 1HG1 VAL 10 1HG1 VAL 10 -11.637 8.883 -3.722 69 2HG1 VAL 10 2HG1 VAL 10 -10.424 9.544 -2.626 70 3HG1 VAL 10 3HG1 VAL 10 -11.724 10.573 -3.228 71 1HG2 VAL 10 1HG2 VAL 10 -13.834 7.707 -1.276 72 2HG2 VAL 10 2HG2 VAL 10 -12.859 7.348 -2.702 73 3HG2 VAL 10 3HG2 VAL 10 -14.104 8.595 -2.776 74 H GLU 11 H GLU 11 -11.824 10.307 1.250 75 HA GLU 11 HA GLU 11 -9.571 12.040 0.605 76 1HB GLU 11 2HB GLU 11 -10.259 13.278 2.640 77 2HB GLU 11 1HB GLU 11 -11.631 12.968 1.575 78 1HG GLU 11 2HG GLU 11 -12.611 12.171 3.471 79 2HG GLU 11 1HG GLU 11 -11.671 10.721 3.118 80 H GLU 12 H GLU 12 -10.187 9.419 2.864 81 HA GLU 12 HA GLU 12 -7.944 9.903 4.592 82 1HB GLU 12 2HB GLU 12 -9.095 7.181 3.949 83 2HB GLU 12 1HB GLU 12 -8.340 7.713 5.452 84 1HG GLU 12 2HG GLU 12 -10.855 9.010 4.393 85 2HG GLU 12 1HG GLU 12 -10.909 7.585 5.431 86 H LEU 13 H LEU 13 -8.339 7.765 1.750 87 HA LEU 13 HA LEU 13 -5.718 6.697 1.730 88 1HB LEU 13 2HB LEU 13 -7.311 7.410 -0.745 89 2HB LEU 13 1HB LEU 13 -6.117 6.124 -0.569 90 HG LEU 13 HG LEU 13 -8.856 6.285 0.707 91 1HD1 LEU 13 1HD1 LEU 13 -9.438 4.909 -0.976 92 2HD1 LEU 13 2HD1 LEU 13 -8.176 3.772 -0.502 93 3HD1 LEU 13 3HD1 LEU 13 -7.815 5.062 -1.648 94 1HD2 LEU 13 1HD2 LEU 13 -6.480 4.521 1.334 95 2HD2 LEU 13 2HD2 LEU 13 -8.131 4.031 1.711 96 3HD2 LEU 13 3HD2 LEU 13 -7.448 5.478 2.455 97 H ILE 14 H ILE 14 -6.938 9.801 0.564 98 HA ILE 14 HA ILE 14 -4.582 10.564 -0.888 99 HB ILE 14 HB ILE 14 -6.738 12.209 0.462 100 1HG1 ILE 14 2HG1 ILE 14 -6.183 11.591 -2.458 101 2HG1 ILE 14 1HG1 ILE 14 -7.401 10.777 -1.477 102 1HG2 ILE 14 1HG2 ILE 14 -5.224 13.899 0.276 103 2HG2 ILE 14 2HG2 ILE 14 -5.614 13.826 -1.442 104 3HG2 ILE 14 3HG2 ILE 14 -4.195 12.981 -0.823 105 1HD1 ILE 14 1HD1 ILE 14 -8.855 12.431 -1.934 106 2HD1 ILE 14 2HD1 ILE 14 -7.621 13.273 -2.870 107 3HD1 ILE 14 3HD1 ILE 14 -7.779 13.580 -1.140 108 H GLU 15 H GLU 15 -5.647 11.362 2.441 109 HA GLU 15 HA GLU 15 -3.418 12.871 3.238 110 1HB GLU 15 2HB GLU 15 -5.551 11.398 4.556 111 2HB GLU 15 1HB GLU 15 -4.045 11.287 5.467 112 1HG GLU 15 2HG GLU 15 -4.960 13.943 4.390 113 2HG GLU 15 1HG GLU 15 -5.630 13.321 5.899 114 H ILE 16 H ILE 16 -3.833 9.376 3.925 115 HA ILE 16 HA ILE 16 -1.188 8.879 4.754 116 HB ILE 16 HB ILE 16 -3.333 7.187 3.511 117 1HG1 ILE 16 2HG1 ILE 16 -3.280 6.095 5.661 118 2HG1 ILE 16 1HG1 ILE 16 -1.768 6.896 6.090 119 1HG2 ILE 16 1HG2 ILE 16 -1.555 6.075 2.496 120 2HG2 ILE 16 2HG2 ILE 16 -1.615 5.258 4.057 121 3HG2 ILE 16 3HG2 ILE 16 -0.417 6.521 3.767 122 1HD1 ILE 16 1HD1 ILE 16 -2.814 9.010 6.302 123 2HD1 ILE 16 2HD1 ILE 16 -3.941 7.889 7.064 124 3HD1 ILE 16 3HD1 ILE 16 -4.252 8.478 5.431 125 H GLN 17 H GLN 17 -2.564 8.701 1.468 126 HA GLN 17 HA GLN 17 -0.210 7.838 0.138 127 1HB GLN 17 2HB GLN 17 -2.288 7.828 -1.065 128 2HB GLN 17 1HB GLN 17 -2.521 9.556 -0.796 129 1HG GLN 17 2HG GLN 17 -1.643 8.869 -3.108 130 2HG GLN 17 1HG GLN 17 -0.745 10.133 -2.269 131 1HE2 GLN 17 1HE2 GLN 17 -0.665 6.593 -1.654 132 2HE2 GLN 17 2HE2 GLN 17 0.990 6.419 -1.987 133 H LYS 18 H LYS 18 -0.965 10.874 1.598 134 HA LYS 18 HA LYS 18 0.978 12.387 -0.001 135 1HB LYS 18 2HB LYS 18 -1.103 12.990 1.931 136 2HB LYS 18 1HB LYS 18 0.391 13.839 2.330 137 1HG LYS 18 2HG LYS 18 0.500 14.533 -0.123 138 2HG LYS 18 1HG LYS 18 -1.153 13.935 -0.269 139 1HD LYS 18 2HD LYS 18 -0.568 15.788 1.994 140 2HD LYS 18 1HD LYS 18 -0.622 16.482 0.374 141 1HE LYS 18 2HE LYS 18 -2.853 15.284 0.073 142 2HE LYS 18 1HE LYS 18 -2.807 14.957 1.805 143 1HZ LYS 18 1HZ LYS 18 -3.939 17.104 0.873 144 2HZ LYS 18 2HZ LYS 18 -2.348 17.701 0.887 145 3HZ LYS 18 3HZ LYS 18 -3.063 17.147 2.324 146 H GLU 19 H GLU 19 0.756 11.614 3.502 147 HA GLU 19 HA GLU 19 3.342 12.374 4.237 148 1HB GLU 19 2HB GLU 19 1.839 9.926 5.222 149 2HB GLU 19 1HB GLU 19 3.173 10.721 6.057 150 1HG GLU 19 2HG GLU 19 0.712 12.273 5.273 151 2HG GLU 19 1HG GLU 19 0.748 11.334 6.766 152 H GLU 20 H GLU 20 2.299 9.409 2.614 153 HA GLU 20 HA GLU 20 4.863 8.090 2.767 154 1HB GLU 20 2HB GLU 20 2.477 7.140 2.183 155 2HB GLU 20 1HB GLU 20 2.918 7.586 0.534 156 1HG GLU 20 2HG GLU 20 3.630 5.320 0.814 157 2HG GLU 20 1HG GLU 20 5.092 6.302 0.910 158 H THR 21 H THR 21 3.230 9.858 0.112 159 HA THR 21 HA THR 21 5.332 9.714 -1.766 160 HB THR 21 HB THR 21 3.582 12.152 -1.394 161 HG1 THR 21 HG1 THR 21 2.034 11.015 -2.577 162 1HG2 THR 21 1HG2 THR 21 3.698 12.103 -3.907 163 2HG2 THR 21 2HG2 THR 21 4.864 10.787 -3.772 164 3HG2 THR 21 3HG2 THR 21 5.254 12.379 -3.122 165 H ARG 22 H ARG 22 4.935 11.809 1.040 166 HA ARG 22 HA ARG 22 7.024 13.667 0.356 167 1HB ARG 22 2HB ARG 22 6.093 12.862 3.127 168 2HB ARG 22 1HB ARG 22 6.925 14.352 2.683 169 1HG ARG 22 2HG ARG 22 4.602 14.024 1.010 170 2HG ARG 22 1HG ARG 22 4.129 13.880 2.702 171 1HD ARG 22 2HD ARG 22 5.528 16.189 1.345 172 2HD ARG 22 1HD ARG 22 4.007 16.207 2.237 173 HE ARG 22 HE ARG 22 5.862 15.397 4.126 174 1HH1 ARG 22 1HH2 ARG 22 5.538 18.002 1.892 175 2HH1 ARG 22 2HH2 ARG 22 6.406 19.132 2.878 176 1HH2 ARG 22 2HH1 ARG 22 7.002 16.855 5.425 177 2HH2 ARG 22 1HH1 ARG 22 7.235 18.483 4.877 178 H ASP 23 H ASP 23 7.001 10.753 2.429 179 HA ASP 23 HA ASP 23 9.734 10.835 3.182 180 1HB ASP 23 2HB ASP 23 7.585 8.823 3.133 181 2HB ASP 23 1HB ASP 23 9.207 8.142 2.996 182 H ILE 24 H ILE 24 8.211 9.133 0.424 183 HA ILE 24 HA ILE 24 10.598 8.048 -0.659 184 HB ILE 24 HB ILE 24 7.969 8.864 -1.896 185 1HG1 ILE 24 2HG1 ILE 24 9.307 6.162 -1.552 186 2HG1 ILE 24 1HG1 ILE 24 8.156 6.842 -0.402 187 1HG2 ILE 24 1HG2 ILE 24 9.320 9.131 -3.776 188 2HG2 ILE 24 2HG2 ILE 24 8.954 7.408 -3.862 189 3HG2 ILE 24 3HG2 ILE 24 10.504 7.949 -3.218 190 1HD1 ILE 24 1HD1 ILE 24 6.812 7.151 -2.774 191 2HD1 ILE 24 2HD1 ILE 24 6.587 5.796 -1.668 192 3HD1 ILE 24 3HD1 ILE 24 7.674 5.638 -3.048 193 H ILE 25 H ILE 25 8.902 11.033 -1.708 194 HA ILE 25 HA ILE 25 10.754 11.987 -3.544 195 HB ILE 25 HB ILE 25 8.885 13.311 -1.626 196 1HG1 ILE 25 2HG1 ILE 25 7.829 14.054 -3.625 197 2HG1 ILE 25 1HG1 ILE 25 9.280 13.774 -4.588 198 1HG2 ILE 25 1HG2 ILE 25 10.752 14.807 -1.414 199 2HG2 ILE 25 2HG2 ILE 25 9.639 15.547 -2.563 200 3HG2 ILE 25 3HG2 ILE 25 11.090 14.728 -3.142 201 1HD1 ILE 25 1HD1 ILE 25 8.945 11.483 -4.680 202 2HD1 ILE 25 2HD1 ILE 25 7.272 12.037 -4.618 203 3HD1 ILE 25 3HD1 ILE 25 8.059 11.446 -3.157 204 H GLN 26 H GLN 26 10.792 12.857 -0.061 205 HA GLN 26 HA GLN 26 13.212 14.226 0.020 206 1HB GLN 26 2HB GLN 26 12.009 12.309 2.027 207 2HB GLN 26 1HB GLN 26 13.449 13.268 2.371 208 1HG GLN 26 2HG GLN 26 10.940 14.578 1.336 209 2HG GLN 26 1HG GLN 26 11.141 14.247 3.056 210 1HE2 GLN 26 1HE2 GLN 26 13.434 15.029 3.917 211 2HE2 GLN 26 2HE2 GLN 26 13.936 16.555 3.365 212 H ALA 27 H ALA 27 12.734 10.703 0.031 213 HA ALA 27 HA ALA 27 15.522 10.062 0.375 214 1HB ALA 27 1HB ALA 27 13.692 8.238 -1.137 215 2HB ALA 27 2HB ALA 27 13.328 8.573 0.556 216 3HB ALA 27 3HB ALA 27 14.875 7.852 0.111 217 H LEU 28 H LEU 28 13.523 9.612 -2.567 218 HA LEU 28 HA LEU 28 15.448 9.141 -4.450 219 1HB LEU 28 2HB LEU 28 13.129 11.078 -4.710 220 2HB LEU 28 1HB LEU 28 14.071 10.473 -6.073 221 HG LEU 28 HG LEU 28 12.514 8.762 -4.113 222 1HD1 LEU 28 1HD1 LEU 28 11.103 8.286 -6.116 223 2HD1 LEU 28 2HD1 LEU 28 12.021 9.493 -7.015 224 3HD1 LEU 28 3HD1 LEU 28 11.040 9.982 -5.634 225 1HD2 LEU 28 1HD2 LEU 28 14.116 7.267 -4.795 226 2HD2 LEU 28 2HD2 LEU 28 14.513 8.197 -6.240 227 3HD2 LEU 28 3HD2 LEU 28 13.086 7.162 -6.223 228 H LEU 29 H LEU 29 14.743 12.317 -3.013 229 HA LEU 29 HA LEU 29 16.576 13.789 -4.659 230 1HB LEU 29 2HB LEU 29 14.733 14.428 -2.691 231 2HB LEU 29 1HB LEU 29 16.275 14.802 -1.922 232 HG LEU 29 HG LEU 29 15.388 16.755 -3.154 233 1HD1 LEU 29 1HD1 LEU 29 17.412 17.296 -4.344 234 2HD1 LEU 29 2HD1 LEU 29 17.790 15.593 -4.591 235 3HD1 LEU 29 3HD1 LEU 29 17.868 16.287 -2.973 236 1HD2 LEU 29 1HD2 LEU 29 14.569 16.615 -5.263 237 2HD2 LEU 29 2HD2 LEU 29 14.560 14.870 -5.001 238 3HD2 LEU 29 3HD2 LEU 29 15.927 15.633 -5.812 239 H GLU 30 H GLU 30 16.962 12.866 -1.211 240 HA GLU 30 HA GLU 30 19.629 13.467 -0.847 241 1HB GLU 30 2HB GLU 30 17.885 12.184 0.690 242 2HB GLU 30 1HB GLU 30 18.732 10.762 0.079 243 1HG GLU 30 2HG GLU 30 19.916 13.107 1.583 244 2HG GLU 30 1HG GLU 30 19.865 11.419 2.091 245 H ASP 31 H ASP 31 18.299 10.835 -2.761 246 HA ASP 31 HA ASP 31 20.797 9.426 -3.128 247 1HB ASP 31 2HB ASP 31 18.856 8.161 -3.606 248 2HB ASP 31 1HB ASP 31 18.158 9.445 -4.594 249 H GLY 32 H GLY 32 19.490 12.331 -4.429 250 1HA GLY 32 2HA GLY 32 20.678 13.900 -5.772 251 2HA GLY 32 1HA GLY 32 21.885 12.658 -6.109 252 H SER 33 H SER 33 18.408 12.204 -6.506 253 HA SER 33 HA SER 33 18.669 11.121 -9.130 254 1HB SER 33 2HB SER 33 16.190 11.452 -9.259 255 2HB SER 33 1HB SER 33 16.702 10.653 -7.775 256 HG SER 33 HG SER 33 15.285 12.295 -7.245 257 H ASP 34 H ASP 34 18.414 14.405 -7.989 258 HA ASP 34 HA ASP 34 18.466 16.446 -9.143 259 1HB ASP 34 2HB ASP 34 19.310 15.280 -11.710 260 2HB ASP 34 1HB ASP 34 20.098 16.509 -10.720 261 HA PRO 35 HA PRO 35 14.352 15.504 -11.005 262 1HB PRO 35 2HB PRO 35 13.891 18.287 -10.098 263 2HB PRO 35 1HB PRO 35 12.937 16.827 -9.784 264 1HG PRO 35 2HG PRO 35 14.449 17.991 -7.897 265 2HG PRO 35 1HG PRO 35 14.181 16.242 -7.961 266 1HD PRO 35 2HD PRO 35 16.613 17.804 -8.723 267 2HD PRO 35 1HD PRO 35 16.489 16.169 -8.036 268 H ASP 36 H ASP 36 16.910 17.493 -11.812 269 HA ASP 36 HA ASP 36 15.706 19.305 -13.683 270 1HB ASP 36 2HB ASP 36 18.381 18.523 -12.885 271 2HB ASP 36 1HB ASP 36 18.280 18.675 -14.640 272 H ALA 37 H ALA 37 16.639 15.926 -13.887 273 HA ALA 37 HA ALA 37 16.328 15.871 -16.812 274 1HB ALA 37 1HB ALA 37 16.810 13.705 -14.748 275 2HB ALA 37 2HB ALA 37 17.978 14.371 -15.889 276 3HB ALA 37 3HB ALA 37 16.640 13.380 -16.473 277 H LEU 38 H LEU 38 14.073 16.602 -14.907 278 HA LEU 38 HA LEU 38 11.767 16.196 -14.752 279 1HB LEU 38 2HB LEU 38 12.574 15.138 -17.422 280 2HB LEU 38 1HB LEU 38 10.978 14.681 -16.822 281 HG LEU 38 HG LEU 38 11.962 17.544 -16.881 282 1HD1 LEU 38 1HD1 LEU 38 9.923 16.550 -18.817 283 2HD1 LEU 38 2HD1 LEU 38 11.607 16.140 -19.143 284 3HD1 LEU 38 3HD1 LEU 38 11.122 17.829 -19.006 285 1HD2 LEU 38 1HD2 LEU 38 9.275 17.661 -16.971 286 2HD2 LEU 38 2HD2 LEU 38 10.158 17.576 -15.446 287 3HD2 LEU 38 3HD2 LEU 38 9.450 16.116 -16.137 288 H TYR 39 H TYR 39 10.164 14.387 -14.408 289 HA TYR 39 HA TYR 39 11.541 11.826 -13.721 290 1HB TYR 39 2HB TYR 39 10.292 13.712 -11.936 291 2HB TYR 39 1HB TYR 39 9.377 12.205 -11.919 292 HD1 TYR 39 HD1 TYR 39 12.752 13.687 -11.447 293 HD2 TYR 39 HD2 TYR 39 10.281 10.206 -10.967 294 HE1 TYR 39 HE1 TYR 39 14.507 12.633 -10.047 295 HE2 TYR 39 HE2 TYR 39 12.038 9.151 -9.569 296 HH TYR 39 HH TYR 39 14.740 9.509 -9.439 297 H GLU 40 H GLU 40 10.131 9.951 -13.778 298 HA GLU 40 HA GLU 40 7.782 10.374 -15.568 299 1HB GLU 40 2HB GLU 40 9.923 8.681 -15.877 300 2HB GLU 40 1HB GLU 40 8.727 7.616 -15.135 301 1HG GLU 40 2HG GLU 40 7.074 8.289 -16.851 302 2HG GLU 40 1HG GLU 40 8.292 9.320 -17.607 303 H ILE 41 H ILE 41 5.813 10.157 -14.634 304 HA ILE 41 HA ILE 41 5.640 8.780 -12.001 305 HB ILE 41 HB ILE 41 3.338 10.250 -13.240 306 1HG1 ILE 41 2HG1 ILE 41 5.387 11.672 -13.573 307 2HG1 ILE 41 1HG1 ILE 41 4.208 12.388 -12.476 308 1HG2 ILE 41 1HG2 ILE 41 4.434 9.791 -10.460 309 2HG2 ILE 41 2HG2 ILE 41 2.899 9.235 -11.125 310 3HG2 ILE 41 3HG2 ILE 41 3.143 10.948 -10.787 311 1HD1 ILE 41 1HD1 ILE 41 6.543 10.721 -11.514 312 2HD1 ILE 41 2HD1 ILE 41 5.476 11.738 -10.547 313 3HD1 ILE 41 3HD1 ILE 41 6.617 12.475 -11.672 314 H GLU 42 H GLU 42 4.267 7.002 -11.702 315 HA GLU 42 HA GLU 42 2.829 6.007 -14.123 316 1HB GLU 42 2HB GLU 42 5.045 4.834 -13.777 317 2HB GLU 42 1HB GLU 42 4.416 4.244 -12.237 318 1HG GLU 42 2HG GLU 42 2.368 3.496 -13.765 319 2HG GLU 42 1HG GLU 42 3.605 3.513 -15.022 320 H HIS 43 H HIS 43 0.828 5.102 -13.682 321 HA HIS 43 HA HIS 43 0.107 4.723 -10.808 322 1HB HIS 43 2HB HIS 43 -1.508 6.152 -12.941 323 2HB HIS 43 1HB HIS 43 -2.148 5.688 -11.364 324 HD2 HIS 43 HD2 HIS 43 0.541 8.200 -12.827 325 HE1 HIS 43 HE1 HIS 43 -0.254 9.258 -8.816 326 HE2 HIS 43 HE2 HIS 43 0.975 9.935 -10.928 327 H HIS 44 H HIS 44 -1.748 3.232 -10.532 328 HA HIS 44 HA HIS 44 -2.234 1.498 -12.911 329 1HB HIS 44 2HB HIS 44 -0.797 0.807 -10.485 330 2HB HIS 44 1HB HIS 44 -2.226 -0.210 -10.674 331 HD2 HIS 44 HD2 HIS 44 -2.297 -0.996 -13.729 332 HE1 HIS 44 HE1 HIS 44 1.865 -1.685 -13.530 333 HE2 HIS 44 HE2 HIS 44 -0.240 -2.113 -14.880 334 H LEU 45 H LEU 45 -4.392 1.327 -13.228 335 HA LEU 45 HA LEU 45 -6.173 1.403 -10.824 336 1HB LEU 45 2HB LEU 45 -6.696 2.674 -13.530 337 2HB LEU 45 1HB LEU 45 -7.828 2.643 -12.178 338 HG LEU 45 HG LEU 45 -5.772 3.707 -10.875 339 1HD1 LEU 45 1HD1 LEU 45 -4.117 3.686 -12.580 340 2HD1 LEU 45 2HD1 LEU 45 -4.673 5.359 -12.512 341 3HD1 LEU 45 3HD1 LEU 45 -5.244 4.291 -13.793 342 1HD2 LEU 45 1HD2 LEU 45 -6.668 5.974 -11.562 343 2HD2 LEU 45 2HD2 LEU 45 -7.906 4.819 -11.070 344 3HD2 LEU 45 3HD2 LEU 45 -7.638 5.146 -12.782 345 H PHE 46 H PHE 46 -8.084 0.084 -11.008 346 HA PHE 46 HA PHE 46 -8.120 -1.746 -13.365 347 1HB PHE 46 2HB PHE 46 -9.009 -3.194 -11.084 348 2HB PHE 46 1HB PHE 46 -7.572 -3.493 -12.062 349 HD1 PHE 46 HD1 PHE 46 -5.546 -1.829 -11.590 350 HD2 PHE 46 HD2 PHE 46 -8.721 -2.686 -8.828 351 HE1 PHE 46 HE1 PHE 46 -4.109 -1.090 -9.711 352 HE2 PHE 46 HE2 PHE 46 -7.284 -1.946 -6.947 353 HZ PHE 46 HZ PHE 46 -4.978 -1.147 -7.388 354 H ALA 47 H ALA 47 -10.232 -2.826 -13.656 355 HA ALA 47 HA ALA 47 -12.510 -1.574 -12.237 356 1HB ALA 47 1HB ALA 47 -12.617 -1.602 -15.234 357 2HB ALA 47 2HB ALA 47 -11.764 -0.285 -14.427 358 3HB ALA 47 3HB ALA 47 -13.475 -0.562 -14.096 359 H GLU 48 H GLU 48 -14.590 -2.691 -12.854 360 HA GLU 48 HA GLU 48 -14.024 -5.536 -13.582 361 1HB GLU 48 2HB GLU 48 -16.498 -4.623 -12.126 362 2HB GLU 48 1HB GLU 48 -15.731 -6.211 -12.117 363 1HG GLU 48 2HG GLU 48 -14.444 -3.725 -10.959 364 2HG GLU 48 1HG GLU 48 -15.368 -4.883 -10.003 365 H ASP 49 H ASP 49 -15.291 -2.745 -14.843 366 HA ASP 49 HA ASP 49 -17.268 -4.268 -16.497 367 1HB ASP 49 2HB ASP 49 -17.233 -1.286 -15.948 368 2HB ASP 49 1HB ASP 49 -18.486 -2.187 -16.802 369 H PHE 50 H PHE 50 -16.679 -4.494 -18.600 370 HA PHE 50 HA PHE 50 -14.267 -3.360 -19.655 371 1HB PHE 50 2HB PHE 50 -16.646 -4.705 -20.949 372 2HB PHE 50 1HB PHE 50 -15.267 -4.133 -21.889 373 HD1 PHE 50 HD1 PHE 50 -16.462 -6.618 -19.477 374 HD2 PHE 50 HD2 PHE 50 -13.024 -5.120 -21.571 375 HE1 PHE 50 HE1 PHE 50 -15.211 -8.676 -18.893 376 HE2 PHE 50 HE2 PHE 50 -11.772 -7.180 -20.985 377 HZ PHE 50 HZ PHE 50 -12.865 -8.958 -19.647 378 H ASP 51 H ASP 51 -17.585 -2.263 -19.591 379 HA ASP 51 HA ASP 51 -17.279 -0.260 -21.671 380 1HB ASP 51 2HB ASP 51 -19.297 -0.361 -19.406 381 2HB ASP 51 1HB ASP 51 -19.438 0.575 -20.896 382 H LYS 52 H LYS 52 -17.506 -0.018 -18.099 383 HA LYS 52 HA LYS 52 -16.819 2.755 -17.993 384 1HB LYS 52 2HB LYS 52 -17.778 1.157 -16.146 385 2HB LYS 52 1HB LYS 52 -16.079 0.844 -15.793 386 1HG LYS 52 2HG LYS 52 -16.171 2.709 -14.512 387 2HG LYS 52 1HG LYS 52 -16.152 3.597 -16.036 388 1HD LYS 52 2HD LYS 52 -18.680 2.612 -14.689 389 2HD LYS 52 1HD LYS 52 -18.047 4.249 -14.519 390 1HE LYS 52 2HE LYS 52 -18.091 4.400 -17.061 391 2HE LYS 52 1HE LYS 52 -19.013 2.896 -17.047 392 1HZ LYS 52 1HZ LYS 52 -20.790 4.181 -16.780 393 2HZ LYS 52 2HZ LYS 52 -19.859 5.557 -16.423 394 3HZ LYS 52 3HZ LYS 52 -20.258 4.454 -15.194 395 H LEU 53 H LEU 53 -14.876 -0.168 -18.157 396 HA LEU 53 HA LEU 53 -12.367 0.995 -17.406 397 1HB LEU 53 2HB LEU 53 -13.023 -1.502 -17.733 398 2HB LEU 53 1HB LEU 53 -12.634 -1.224 -19.429 399 HG LEU 53 HG LEU 53 -10.713 -0.456 -17.232 400 1HD1 LEU 53 1HD1 LEU 53 -11.271 -2.867 -17.001 401 2HD1 LEU 53 2HD1 LEU 53 -9.609 -2.623 -17.539 402 3HD1 LEU 53 3HD1 LEU 53 -10.847 -3.109 -18.696 403 1HD2 LEU 53 1HD2 LEU 53 -10.646 -0.805 -20.214 404 2HD2 LEU 53 2HD2 LEU 53 -9.170 -1.088 -19.292 405 3HD2 LEU 53 3HD2 LEU 53 -9.963 0.486 -19.226 406 H GLU 54 H GLU 54 -13.973 0.609 -20.564 407 HA GLU 54 HA GLU 54 -11.786 1.826 -22.036 408 1HB GLU 54 2HB GLU 54 -13.429 0.257 -23.067 409 2HB GLU 54 1HB GLU 54 -14.684 1.479 -22.857 410 1HG GLU 54 2HG GLU 54 -12.242 2.467 -24.181 411 2HG GLU 54 1HG GLU 54 -13.121 1.241 -25.096 412 H LYS 55 H LYS 55 -14.494 3.043 -20.239 413 HA LYS 55 HA LYS 55 -14.512 5.643 -21.595 414 1HB LYS 55 2HB LYS 55 -15.946 4.449 -19.238 415 2HB LYS 55 1HB LYS 55 -15.951 6.199 -19.467 416 1HG LYS 55 2HG LYS 55 -16.778 5.835 -21.806 417 2HG LYS 55 1HG LYS 55 -16.909 4.113 -21.448 418 1HD LYS 55 2HD LYS 55 -18.514 4.554 -19.672 419 2HD LYS 55 1HD LYS 55 -18.315 6.295 -19.881 420 1HE LYS 55 2HE LYS 55 -18.984 4.914 -22.379 421 2HE LYS 55 1HE LYS 55 -20.230 4.743 -21.142 422 1HZ LYS 55 1HZ LYS 55 -19.211 7.176 -22.432 423 2HZ LYS 55 2HZ LYS 55 -19.805 7.279 -20.845 424 3HZ LYS 55 3HZ LYS 55 -20.811 6.724 -22.096 425 H ALA 56 H ALA 56 -13.773 4.639 -18.231 426 HA ALA 56 HA ALA 56 -12.572 7.079 -17.447 427 1HB ALA 56 1HB ALA 56 -12.958 4.516 -16.317 428 2HB ALA 56 2HB ALA 56 -12.385 5.969 -15.497 429 3HB ALA 56 3HB ALA 56 -11.229 4.842 -16.208 430 H ALA 57 H ALA 57 -11.210 4.304 -19.166 431 HA ALA 57 HA ALA 57 -8.469 5.229 -18.991 432 1HB ALA 57 1HB ALA 57 -8.672 2.927 -19.433 433 2HB ALA 57 2HB ALA 57 -8.229 3.595 -21.003 434 3HB ALA 57 3HB ALA 57 -9.909 3.178 -20.665 435 H VAL 58 H VAL 58 -10.939 5.346 -21.575 436 HA VAL 58 HA VAL 58 -9.405 6.661 -23.537 437 HB VAL 58 HB VAL 58 -12.343 6.683 -22.874 438 1HG1 VAL 58 1HG1 VAL 58 -10.839 8.448 -24.774 439 2HG1 VAL 58 2HG1 VAL 58 -12.265 8.812 -23.801 440 3HG1 VAL 58 3HG1 VAL 58 -12.419 7.833 -25.261 441 1HG2 VAL 58 1HG2 VAL 58 -11.117 5.880 -25.486 442 2HG2 VAL 58 2HG2 VAL 58 -12.515 5.204 -24.652 443 3HG2 VAL 58 3HG2 VAL 58 -10.887 4.819 -24.096 444 H GLU 59 H GLU 59 -11.326 8.094 -20.887 445 HA GLU 59 HA GLU 59 -10.719 10.816 -21.603 446 1HB GLU 59 2HB GLU 59 -12.597 10.028 -20.078 447 2HB GLU 59 1HB GLU 59 -11.371 9.802 -18.827 448 1HG GLU 59 2HG GLU 59 -10.778 12.141 -18.885 449 2HG GLU 59 1HG GLU 59 -11.793 12.414 -20.301 450 H ALA 60 H ALA 60 -9.192 8.487 -19.395 451 HA ALA 60 HA ALA 60 -7.364 10.160 -18.091 452 1HB ALA 60 1HB ALA 60 -6.592 8.192 -17.312 453 2HB ALA 60 2HB ALA 60 -6.046 7.717 -18.920 454 3HB ALA 60 3HB ALA 60 -7.704 7.383 -18.416 455 H PHE 61 H PHE 61 -6.970 8.582 -21.275 456 HA PHE 61 HA PHE 61 -4.377 9.729 -21.778 457 1HB PHE 61 2HB PHE 61 -4.897 7.845 -23.097 458 2HB PHE 61 1HB PHE 61 -6.490 8.472 -23.522 459 HD1 PHE 61 HD1 PHE 61 -6.774 10.118 -25.282 460 HD2 PHE 61 HD2 PHE 61 -2.860 8.760 -24.146 461 HE1 PHE 61 HE1 PHE 61 -5.820 11.164 -27.318 462 HE2 PHE 61 HE2 PHE 61 -1.906 9.805 -26.182 463 HZ PHE 61 HZ PHE 61 -3.386 11.008 -27.768 464 H LYS 62 H LYS 62 -7.549 10.552 -23.245 465 HA LYS 62 HA LYS 62 -6.949 12.783 -24.692 466 1HB LYS 62 2HB LYS 62 -9.275 11.860 -24.113 467 2HB LYS 62 1HB LYS 62 -9.206 12.894 -22.685 468 1HG LYS 62 2HG LYS 62 -8.402 14.573 -24.755 469 2HG LYS 62 1HG LYS 62 -9.703 13.619 -25.470 470 1HD LYS 62 2HD LYS 62 -11.071 14.144 -23.391 471 2HD LYS 62 1HD LYS 62 -9.818 15.308 -22.961 472 1HE LYS 62 2HE LYS 62 -11.584 15.322 -25.417 473 2HE LYS 62 1HE LYS 62 -11.496 16.541 -24.146 474 1HZ LYS 62 1HZ LYS 62 -10.250 16.944 -26.340 475 2HZ LYS 62 2HZ LYS 62 -9.103 15.854 -25.722 476 3HZ LYS 62 3HZ LYS 62 -9.457 17.288 -24.882 477 H MET 63 H MET 63 -6.953 12.596 -21.162 478 HA MET 63 HA MET 63 -6.574 15.428 -20.732 479 1HB MET 63 2HB MET 63 -6.517 12.964 -19.107 480 2HB MET 63 1HB MET 63 -5.444 14.241 -18.532 481 1HG MET 63 2HG MET 63 -7.422 15.831 -18.744 482 2HG MET 63 1HG MET 63 -8.431 14.405 -18.989 483 1HE MET 63 1HE MET 63 -6.880 12.240 -17.056 484 2HE MET 63 2HE MET 63 -8.561 12.468 -17.534 485 3HE MET 63 3HE MET 63 -8.143 12.373 -15.825 486 H GLY 64 H GLY 64 -4.273 12.685 -20.534 487 1HA GLY 64 2HA GLY 64 -2.187 13.678 -22.032 488 2HA GLY 64 1HA GLY 64 -1.988 14.499 -20.483 489 H PHE 65 H PHE 65 -3.205 12.081 -19.112 490 HA PHE 65 HA PHE 65 -0.783 10.767 -18.397 491 1HB PHE 65 2HB PHE 65 -3.684 9.946 -18.115 492 2HB PHE 65 1HB PHE 65 -2.356 8.994 -17.452 493 HD1 PHE 65 HD1 PHE 65 -1.080 9.763 -15.543 494 HD2 PHE 65 HD2 PHE 65 -4.157 12.218 -17.264 495 HE1 PHE 65 HE1 PHE 65 -1.003 11.251 -13.559 496 HE2 PHE 65 HE2 PHE 65 -4.079 13.706 -15.280 497 HZ PHE 65 HZ PHE 65 -2.502 13.221 -13.429 498 H GLU 66 H GLU 66 0.389 9.333 -19.577 499 HA GLU 66 HA GLU 66 -0.597 8.262 -22.075 500 1HB GLU 66 2HB GLU 66 1.916 8.325 -20.611 501 2HB GLU 66 1HB GLU 66 1.630 6.737 -21.323 502 1HG GLU 66 2HG GLU 66 2.752 8.006 -23.007 503 2HG GLU 66 1HG GLU 66 1.057 7.965 -23.490 504 H VAL 67 H VAL 67 -2.515 7.111 -21.422 505 HA VAL 67 HA VAL 67 -2.600 5.080 -19.437 506 HB VAL 67 HB VAL 67 -4.494 6.200 -20.905 507 1HG1 VAL 67 1HG1 VAL 67 -5.250 4.829 -22.735 508 2HG1 VAL 67 2HG1 VAL 67 -4.044 3.593 -22.380 509 3HG1 VAL 67 3HG1 VAL 67 -3.540 5.162 -23.008 510 1HG2 VAL 67 1HG2 VAL 67 -4.418 3.382 -19.813 511 2HG2 VAL 67 2HG2 VAL 67 -5.903 4.087 -20.451 512 3HG2 VAL 67 3HG2 VAL 67 -5.100 4.826 -19.064 513 H LEU 68 H LEU 68 -2.268 2.831 -19.559 514 HA LEU 68 HA LEU 68 -0.907 1.867 -22.043 515 1HB LEU 68 2HB LEU 68 0.223 2.133 -19.488 516 2HB LEU 68 1HB LEU 68 -0.132 0.413 -19.647 517 HG LEU 68 HG LEU 68 1.269 1.970 -21.828 518 1HD1 LEU 68 1HD1 LEU 68 3.319 0.685 -20.806 519 2HD1 LEU 68 2HD1 LEU 68 2.357 0.704 -19.327 520 3HD1 LEU 68 3HD1 LEU 68 2.821 2.221 -20.097 521 1HD2 LEU 68 1HD2 LEU 68 0.116 -0.409 -22.029 522 2HD2 LEU 68 2HD2 LEU 68 1.588 -0.952 -21.225 523 3HD2 LEU 68 3HD2 LEU 68 1.687 -0.115 -22.775 524 H GLU 69 H GLU 69 -1.679 -0.058 -22.843 525 HA GLU 69 HA GLU 69 -4.169 -1.079 -22.287 526 1HB GLU 69 2HB GLU 69 -1.827 -2.885 -22.938 527 2HB GLU 69 1HB GLU 69 -3.519 -3.120 -23.378 528 1HG GLU 69 2HG GLU 69 -2.496 -0.541 -24.291 529 2HG GLU 69 1HG GLU 69 -1.582 -1.894 -24.957 530 H ALA 70 H ALA 70 -4.969 -2.859 -21.006 531 HA ALA 70 HA ALA 70 -3.403 -3.236 -18.495 532 1HB ALA 70 1HB ALA 70 -5.632 -3.961 -17.553 533 2HB ALA 70 2HB ALA 70 -6.361 -3.504 -19.093 534 3HB ALA 70 3HB ALA 70 -5.585 -2.282 -18.087 535 H GLU 71 H GLU 71 -3.458 -5.408 -17.525 536 HA GLU 71 HA GLU 71 -3.773 -7.550 -19.592 537 1HB GLU 71 2HB GLU 71 -1.788 -7.444 -17.296 538 2HB GLU 71 1HB GLU 71 -1.927 -8.739 -18.486 539 1HG GLU 71 2HG GLU 71 -1.342 -5.850 -19.194 540 2HG GLU 71 1HG GLU 71 -0.100 -7.088 -19.004 541 H GLU 72 H GLU 72 -3.837 -9.798 -18.254 542 HA GLU 72 HA GLU 72 -6.164 -9.495 -16.455 543 1HB GLU 72 2HB GLU 72 -4.853 -12.011 -17.528 544 2HB GLU 72 1HB GLU 72 -6.410 -11.914 -16.704 545 1HG GLU 72 2HG GLU 72 -7.379 -10.645 -18.494 546 2HG GLU 72 1HG GLU 72 -5.805 -10.397 -19.252 547 H THR 73 H THR 73 -5.797 -9.330 -14.306 548 HA THR 73 HA THR 73 -3.819 -11.115 -13.036 549 HB THR 73 HB THR 73 -2.452 -9.162 -13.502 550 HG1 THR 73 HG1 THR 73 -3.207 -8.710 -10.851 551 1HG2 THR 73 1HG2 THR 73 -3.136 -6.926 -12.659 552 2HG2 THR 73 2HG2 THR 73 -4.693 -7.605 -12.181 553 3HG2 THR 73 3HG2 THR 73 -4.242 -7.542 -13.886 554 H GLU 74 H GLU 74 -3.898 -9.892 -10.485 555 HA GLU 74 HA GLU 74 -6.721 -9.447 -9.795 556 1HB GLU 74 2HB GLU 74 -6.981 -11.368 -8.390 557 2HB GLU 74 1HB GLU 74 -6.377 -11.971 -9.933 558 1HG GLU 74 2HG GLU 74 -4.050 -11.877 -8.981 559 2HG GLU 74 1HG GLU 74 -4.760 -11.471 -7.419 560 H ASP 75 H ASP 75 -6.677 -9.676 -7.111 561 HA ASP 75 HA ASP 75 -4.192 -8.378 -6.129 562 1HB ASP 75 2HB ASP 75 -5.794 -6.745 -4.875 563 2HB ASP 75 1HB ASP 75 -5.423 -6.423 -6.569 564 H GLU 76 H GLU 76 -7.300 -8.402 -4.475 565 HA GLU 76 HA GLU 76 -6.582 -10.814 -2.937 566 1HB GLU 76 2HB GLU 76 -6.135 -8.095 -1.958 567 2HB GLU 76 1HB GLU 76 -7.199 -9.023 -0.899 568 1HG GLU 76 2HG GLU 76 -5.494 -10.901 -1.013 569 2HG GLU 76 1HG GLU 76 -4.408 -9.763 -1.812 570 H ASP 77 H ASP 77 -8.807 -9.581 -4.683 571 HA ASP 77 HA ASP 77 -11.009 -10.794 -3.277 572 1HB ASP 77 2HB ASP 77 -10.465 -8.121 -2.538 573 2HB ASP 77 1HB ASP 77 -11.874 -8.054 -3.597 574 H GLY 78 H GLY 78 -9.508 -9.785 -5.998 575 1HA GLY 78 2HA GLY 78 -12.027 -9.502 -7.572 576 2HA GLY 78 1HA GLY 78 -10.423 -9.036 -8.141 577 H ASN 79 H ASN 79 -8.893 -11.228 -7.655 578 HA ASN 79 HA ASN 79 -8.368 -13.356 -8.489 579 1HB ASN 79 2HB ASN 79 -10.436 -13.899 -7.055 580 2HB ASN 79 1HB ASN 79 -11.337 -13.902 -8.571 581 1HD2 ASN 79 1HD2 ASN 79 -10.617 -15.496 -10.256 582 2HD2 ASN 79 2HD2 ASN 79 -9.821 -16.914 -9.771 583 H LYS 80 H LYS 80 -10.165 -11.082 -10.152 584 HA LYS 80 HA LYS 80 -9.257 -11.956 -12.720 585 1HB LYS 80 2HB LYS 80 -11.151 -13.634 -12.154 586 2HB LYS 80 1HB LYS 80 -12.242 -12.275 -12.428 587 1HG LYS 80 2HG LYS 80 -10.730 -12.033 -14.635 588 2HG LYS 80 1HG LYS 80 -10.550 -13.767 -14.374 589 1HD LYS 80 2HD LYS 80 -12.976 -14.054 -14.347 590 2HD LYS 80 1HD LYS 80 -13.207 -12.312 -14.497 591 1HE LYS 80 2HE LYS 80 -12.944 -12.397 -16.733 592 2HE LYS 80 1HE LYS 80 -11.438 -13.301 -16.575 593 1HZ LYS 80 1HZ LYS 80 -12.665 -15.329 -16.364 594 2HZ LYS 80 2HZ LYS 80 -13.196 -14.526 -17.763 595 3HZ LYS 80 3HZ LYS 80 -14.145 -14.500 -16.354 596 H LEU 81 H LEU 81 -8.747 -9.789 -13.074 597 HA LEU 81 HA LEU 81 -10.989 -8.044 -13.803 598 1HB LEU 81 2HB LEU 81 -10.059 -6.171 -12.326 599 2HB LEU 81 1HB LEU 81 -10.936 -7.454 -11.488 600 HG LEU 81 HG LEU 81 -8.706 -8.586 -11.093 601 1HD1 LEU 81 1HD1 LEU 81 -6.851 -6.640 -11.175 602 2HD1 LEU 81 2HD1 LEU 81 -7.850 -6.122 -12.533 603 3HD1 LEU 81 3HD1 LEU 81 -7.129 -7.731 -12.532 604 1HD2 LEU 81 1HD2 LEU 81 -9.884 -7.176 -9.387 605 2HD2 LEU 81 2HD2 LEU 81 -8.965 -5.783 -9.959 606 3HD2 LEU 81 3HD2 LEU 81 -8.130 -7.145 -9.212 607 H LEU 82 H LEU 82 -10.017 -5.849 -14.597 608 HA LEU 82 HA LEU 82 -7.445 -6.467 -15.996 609 1HB LEU 82 2HB LEU 82 -9.766 -4.696 -16.813 610 2HB LEU 82 1HB LEU 82 -8.238 -4.789 -17.691 611 HG LEU 82 HG LEU 82 -8.892 -7.445 -17.404 612 1HD1 LEU 82 1HD1 LEU 82 -11.119 -6.760 -16.490 613 2HD1 LEU 82 2HD1 LEU 82 -11.247 -7.679 -17.990 614 3HD1 LEU 82 3HD1 LEU 82 -11.449 -5.928 -18.009 615 1HD2 LEU 82 1HD2 LEU 82 -8.109 -6.178 -19.440 616 2HD2 LEU 82 2HD2 LEU 82 -9.775 -5.656 -19.688 617 3HD2 LEU 82 3HD2 LEU 82 -9.364 -7.369 -19.780 618 H CYS 83 H CYS 83 -5.789 -4.936 -15.900 619 HA CYS 83 HA CYS 83 -6.346 -2.437 -14.374 620 1HB CYS 83 2HB CYS 83 -4.228 -2.747 -13.136 621 2HB CYS 83 1HB CYS 83 -5.358 -4.064 -12.816 622 HG CYS 83 HG CYS 83 -3.521 -5.545 -13.571 623 H PHE 84 H PHE 84 -5.820 -0.785 -15.705 624 HA PHE 84 HA PHE 84 -3.696 -1.201 -17.739 625 1HB PHE 84 2HB PHE 84 -4.571 1.213 -18.384 626 2HB PHE 84 1HB PHE 84 -5.495 -0.218 -18.836 627 HD1 PHE 84 HD1 PHE 84 -7.187 -1.078 -16.966 628 HD2 PHE 84 HD2 PHE 84 -5.671 2.930 -17.260 629 HE1 PHE 84 HE1 PHE 84 -9.114 -0.251 -15.641 630 HE2 PHE 84 HE2 PHE 84 -7.597 3.756 -15.936 631 HZ PHE 84 HZ PHE 84 -9.320 2.165 -15.126 632 H ASP 85 H ASP 85 -2.061 0.539 -17.999 633 HA ASP 85 HA ASP 85 -1.413 1.766 -15.346 634 1HB ASP 85 2HB ASP 85 0.598 1.214 -17.528 635 2HB ASP 85 1HB ASP 85 0.888 1.467 -15.807 636 H ALA 86 H ALA 86 -0.706 3.932 -15.319 637 HA ALA 86 HA ALA 86 -1.081 5.416 -17.891 638 1HB ALA 86 1HB ALA 86 -2.573 6.759 -16.864 639 2HB ALA 86 2HB ALA 86 -1.433 7.090 -15.560 640 3HB ALA 86 3HB ALA 86 -2.502 5.692 -15.462 641 H THR 87 H THR 87 0.513 6.915 -18.414 642 HA THR 87 HA THR 87 2.719 7.252 -16.420 643 HB THR 87 HB THR 87 3.979 7.493 -18.850 644 HG1 THR 87 HG1 THR 87 3.242 5.597 -19.979 645 1HG2 THR 87 1HG2 THR 87 3.588 5.097 -17.047 646 2HG2 THR 87 2HG2 THR 87 4.917 6.257 -17.027 647 3HG2 THR 87 3HG2 THR 87 4.757 5.122 -18.368 648 H MET 88 H MET 88 3.726 9.307 -16.423 649 HA MET 88 HA MET 88 2.965 11.344 -18.375 650 1HB MET 88 2HB MET 88 0.990 11.266 -16.821 651 2HB MET 88 1HB MET 88 2.074 11.700 -15.498 652 1HG MET 88 2HG MET 88 1.592 13.845 -16.054 653 2HG MET 88 1HG MET 88 2.702 13.589 -17.400 654 1HE MET 88 1HE MET 88 -0.761 13.817 -16.051 655 2HE MET 88 2HE MET 88 -1.685 14.405 -17.432 656 3HE MET 88 3HE MET 88 -0.329 15.349 -16.821 657 H GLN 89 H GLN 89 4.728 12.644 -18.572 658 HA GLN 89 HA GLN 89 6.912 12.414 -16.645 659 1HB GLN 89 2HB GLN 89 6.493 13.771 -19.280 660 2HB GLN 89 1HB GLN 89 7.803 14.341 -18.245 661 1HG GLN 89 2HG GLN 89 8.772 12.651 -19.619 662 2HG GLN 89 1HG GLN 89 8.517 11.890 -18.049 663 1HE2 GLN 89 1HE2 GLN 89 8.663 10.345 -20.475 664 2HE2 GLN 89 2HE2 GLN 89 7.136 9.657 -20.754 665 H SER 90 H SER 90 7.120 13.681 -14.872 666 HA SER 90 HA SER 90 6.069 16.463 -14.963 667 1HB SER 90 2HB SER 90 4.721 16.237 -13.089 668 2HB SER 90 1HB SER 90 4.518 14.640 -13.804 669 HG SER 90 HG SER 90 5.740 15.395 -11.475 670 H ALA 91 H ALA 91 6.722 17.333 -12.483 671 HA ALA 91 HA ALA 91 9.669 16.907 -12.428 672 1HB ALA 91 1HB ALA 91 9.057 18.986 -10.673 673 2HB ALA 91 2HB ALA 91 7.903 19.190 -11.991 674 3HB ALA 91 3HB ALA 91 9.634 19.164 -12.330 675 H LEU 92 H LEU 92 10.671 16.070 -10.611 676 HA LEU 92 HA LEU 92 9.195 14.510 -8.759 677 1HB LEU 92 2HB LEU 92 11.690 14.355 -9.297 678 2HB LEU 92 1HB LEU 92 11.915 15.710 -8.190 679 HG LEU 92 HG LEU 92 10.351 14.080 -6.669 680 1HD1 LEU 92 1HD1 LEU 92 10.884 11.807 -6.976 681 2HD1 LEU 92 2HD1 LEU 92 12.260 12.176 -8.015 682 3HD1 LEU 92 3HD1 LEU 92 10.617 12.384 -8.621 683 1HD2 LEU 92 1HD2 LEU 92 12.494 13.402 -5.568 684 2HD2 LEU 92 2HD2 LEU 92 12.433 15.127 -5.934 685 3HD2 LEU 92 3HD2 LEU 92 13.372 14.040 -6.958 686 H ASP 93 H ASP 93 7.627 15.515 -7.537 687 HA ASP 93 HA ASP 93 8.487 17.287 -5.394 688 1HB ASP 93 2HB ASP 93 7.071 18.364 -7.802 689 2HB ASP 93 1HB ASP 93 6.633 19.008 -6.220 690 H ALA 94 H ALA 94 7.018 17.182 -3.696 691 HA ALA 94 HA ALA 94 4.990 15.149 -3.781 692 1HB ALA 94 1HB ALA 94 5.870 17.217 -1.807 693 2HB ALA 94 2HB ALA 94 5.748 15.469 -1.617 694 3HB ALA 94 3HB ALA 94 4.293 16.463 -1.568 695 H LYS 95 H LYS 95 4.432 18.591 -2.988 696 HA LYS 95 HA LYS 95 1.745 18.808 -3.348 697 1HB LYS 95 2HB LYS 95 3.817 20.697 -4.505 698 2HB LYS 95 1HB LYS 95 2.111 21.094 -4.284 699 1HG LYS 95 2HG LYS 95 2.307 20.731 -1.871 700 2HG LYS 95 1HG LYS 95 3.994 20.247 -2.061 701 1HD LYS 95 2HD LYS 95 4.299 22.474 -1.525 702 2HD LYS 95 1HD LYS 95 4.157 22.615 -3.277 703 1HE LYS 95 2HE LYS 95 2.667 24.253 -2.420 704 2HE LYS 95 1HE LYS 95 1.632 22.901 -2.880 705 1HZ LYS 95 1HZ LYS 95 1.704 24.081 -0.436 706 2HZ LYS 95 2HZ LYS 95 2.640 22.681 -0.206 707 3HZ LYS 95 3HZ LYS 95 1.044 22.556 -0.776 708 H LEU 96 H LEU 96 4.092 18.749 -6.042 709 HA LEU 96 HA LEU 96 2.202 18.990 -8.151 710 1HB LEU 96 2HB LEU 96 4.867 18.892 -8.124 711 2HB LEU 96 1HB LEU 96 4.570 17.194 -8.499 712 HG LEU 96 HG LEU 96 4.787 18.488 -10.572 713 1HD1 LEU 96 1HD1 LEU 96 2.756 17.751 -11.642 714 2HD1 LEU 96 2HD1 LEU 96 1.876 17.786 -10.114 715 3HD1 LEU 96 3HD1 LEU 96 3.137 16.582 -10.379 716 1HD2 LEU 96 1HD2 LEU 96 2.274 19.970 -10.258 717 2HD2 LEU 96 2HD2 LEU 96 3.834 20.525 -10.867 718 3HD2 LEU 96 3HD2 LEU 96 3.526 20.494 -9.131 719 H ILE 97 H ILE 97 3.650 16.004 -6.785 720 HA ILE 97 HA ILE 97 2.082 14.166 -8.259 721 HB ILE 97 HB ILE 97 3.397 14.041 -5.549 722 1HG1 ILE 97 2HG1 ILE 97 3.931 12.167 -7.811 723 2HG1 ILE 97 1HG1 ILE 97 4.451 13.840 -8.011 724 1HG2 ILE 97 1HG2 ILE 97 2.831 11.472 -5.899 725 2HG2 ILE 97 2HG2 ILE 97 1.452 12.125 -6.785 726 3HG2 ILE 97 3HG2 ILE 97 1.686 12.541 -5.087 727 1HD1 ILE 97 1HD1 ILE 97 6.288 12.645 -7.014 728 2HD1 ILE 97 2HD1 ILE 97 5.232 11.930 -5.795 729 3HD1 ILE 97 3HD1 ILE 97 5.583 13.658 -5.755 730 H ASP 98 H ASP 98 1.284 16.120 -5.462 731 HA ASP 98 HA ASP 98 -1.068 14.701 -4.642 732 1HB ASP 98 2HB ASP 98 0.105 16.513 -3.328 733 2HB ASP 98 1HB ASP 98 -0.591 17.688 -4.445 734 H GLU 99 H GLU 99 -0.576 17.395 -6.927 735 HA GLU 99 HA GLU 99 -3.321 17.781 -7.590 736 1HB GLU 99 2HB GLU 99 -0.703 18.477 -8.790 737 2HB GLU 99 1HB GLU 99 -2.053 18.398 -9.922 738 1HG GLU 99 2HG GLU 99 -2.461 19.835 -7.329 739 2HG GLU 99 1HG GLU 99 -1.527 20.637 -8.592 740 H GLN 100 H GLN 100 -0.825 15.805 -9.237 741 HA GLN 100 HA GLN 100 -2.547 14.693 -11.206 742 1HB GLN 100 2HB GLN 100 -0.190 13.326 -9.873 743 2HB GLN 100 1HB GLN 100 -0.868 12.946 -11.458 744 1HG GLN 100 2HG GLN 100 0.427 15.572 -10.664 745 2HG GLN 100 1HG GLN 100 1.139 14.340 -11.707 746 1HE2 GLN 100 1HE2 GLN 100 -0.326 13.763 -13.699 747 2HE2 GLN 100 2HE2 GLN 100 -1.116 15.064 -14.451 748 H VAL 101 H VAL 101 -1.504 13.214 -8.109 749 HA VAL 101 HA VAL 101 -3.194 10.963 -8.194 750 HB VAL 101 HB VAL 101 -2.377 12.589 -5.765 751 1HG1 VAL 101 1HG1 VAL 101 -2.601 10.167 -4.765 752 2HG1 VAL 101 2HG1 VAL 101 -3.680 9.908 -6.135 753 3HG1 VAL 101 3HG1 VAL 101 -4.041 11.166 -4.954 754 1HG2 VAL 101 1HG2 VAL 101 -0.413 11.321 -5.698 755 2HG2 VAL 101 2HG2 VAL 101 -0.622 11.559 -7.433 756 3HG2 VAL 101 3HG2 VAL 101 -1.094 10.032 -6.691 757 H GLU 102 H GLU 102 -3.964 14.307 -7.618 758 HA GLU 102 HA GLU 102 -6.537 13.823 -6.361 759 1HB GLU 102 2HB GLU 102 -4.910 16.081 -6.966 760 2HB GLU 102 1HB GLU 102 -6.472 16.344 -7.742 761 1HG GLU 102 2HG GLU 102 -7.649 16.134 -5.689 762 2HG GLU 102 1HG GLU 102 -6.258 15.422 -4.873 763 H LYS 103 H LYS 103 -5.503 14.664 -9.676 764 HA LYS 103 HA LYS 103 -8.128 14.679 -10.812 765 1HB LYS 103 2HB LYS 103 -5.996 15.558 -11.883 766 2HB LYS 103 1HB LYS 103 -5.581 13.882 -12.242 767 1HG LYS 103 2HG LYS 103 -6.679 14.518 -14.201 768 2HG LYS 103 1HG LYS 103 -7.995 13.796 -13.276 769 1HD LYS 103 2HD LYS 103 -8.186 16.303 -12.345 770 2HD LYS 103 1HD LYS 103 -7.482 16.661 -13.923 771 1HE LYS 103 2HE LYS 103 -9.272 15.377 -15.024 772 2HE LYS 103 1HE LYS 103 -9.974 14.995 -13.451 773 1HZ LYS 103 1HZ LYS 103 -11.045 16.896 -14.561 774 2HZ LYS 103 2HZ LYS 103 -9.576 17.747 -14.492 775 3HZ LYS 103 3HZ LYS 103 -10.375 17.308 -13.058 776 H LEU 104 H LEU 104 -5.698 12.088 -10.500 777 HA LEU 104 HA LEU 104 -7.255 10.097 -11.873 778 1HB LEU 104 2HB LEU 104 -5.049 9.847 -9.808 779 2HB LEU 104 1HB LEU 104 -5.726 8.482 -10.696 780 HG LEU 104 HG LEU 104 -4.431 10.914 -11.964 781 1HD1 LEU 104 1HD1 LEU 104 -3.049 9.051 -10.658 782 2HD1 LEU 104 2HD1 LEU 104 -2.482 9.685 -12.203 783 3HD1 LEU 104 3HD1 LEU 104 -3.327 8.138 -12.141 784 1HD2 LEU 104 1HD2 LEU 104 -4.491 9.098 -13.917 785 2HD2 LEU 104 2HD2 LEU 104 -5.869 10.157 -13.614 786 3HD2 LEU 104 3HD2 LEU 104 -5.874 8.504 -12.998 787 H VAL 105 H VAL 105 -7.198 11.251 -8.552 788 HA VAL 105 HA VAL 105 -8.768 9.039 -7.502 789 HB VAL 105 HB VAL 105 -7.871 11.713 -6.470 790 1HG1 VAL 105 1HG1 VAL 105 -10.059 9.959 -5.339 791 2HG1 VAL 105 2HG1 VAL 105 -10.106 11.695 -5.647 792 3HG1 VAL 105 3HG1 VAL 105 -9.125 11.060 -4.327 793 1HG2 VAL 105 1HG2 VAL 105 -6.701 10.391 -4.879 794 2HG2 VAL 105 2HG2 VAL 105 -6.536 9.507 -6.396 795 3HG2 VAL 105 3HG2 VAL 105 -7.710 8.978 -5.191 796 H ASN 106 H ASN 106 -9.516 12.446 -8.304 797 HA ASN 106 HA ASN 106 -12.316 12.250 -7.759 798 1HB ASN 106 2HB ASN 106 -10.497 14.163 -9.039 799 2HB ASN 106 1HB ASN 106 -12.108 14.154 -9.758 800 1HD2 ASN 106 1HD2 ASN 106 -10.670 14.050 -6.438 801 2HD2 ASN 106 2HD2 ASN 106 -11.805 15.115 -5.762 802 H LEU 107 H LEU 107 -10.522 11.975 -10.842 803 HA LEU 107 HA LEU 107 -12.806 11.421 -12.464 804 1HB LEU 107 2HB LEU 107 -10.592 12.046 -13.383 805 2HB LEU 107 1HB LEU 107 -9.941 10.497 -12.845 806 HG LEU 107 HG LEU 107 -12.195 9.747 -14.253 807 1HD1 LEU 107 1HD1 LEU 107 -12.552 11.993 -15.118 808 2HD1 LEU 107 2HD1 LEU 107 -11.968 10.967 -16.428 809 3HD1 LEU 107 3HD1 LEU 107 -10.868 12.097 -15.635 810 1HD2 LEU 107 1HD2 LEU 107 -9.261 9.915 -14.856 811 2HD2 LEU 107 2HD2 LEU 107 -10.360 9.378 -16.125 812 3HD2 LEU 107 3HD2 LEU 107 -10.267 8.489 -14.605 813 H ALA 108 H ALA 108 -10.525 9.224 -10.816 814 HA ALA 108 HA ALA 108 -11.597 6.777 -11.716 815 1HB ALA 108 1HB ALA 108 -10.334 7.521 -9.067 816 2HB ALA 108 2HB ALA 108 -9.548 6.775 -10.458 817 3HB ALA 108 3HB ALA 108 -10.727 5.862 -9.515 818 H GLU 109 H GLU 109 -12.366 8.366 -8.590 819 HA GLU 109 HA GLU 109 -14.575 6.644 -8.016 820 1HB GLU 109 2HB GLU 109 -13.556 9.243 -6.971 821 2HB GLU 109 1HB GLU 109 -15.228 8.824 -6.595 822 1HG GLU 109 2HG GLU 109 -13.176 6.690 -6.240 823 2HG GLU 109 1HG GLU 109 -13.190 8.002 -5.061 824 H LYS 110 H LYS 110 -14.284 9.355 -10.147 825 HA LYS 110 HA LYS 110 -17.080 10.105 -10.144 826 1HB LYS 110 2HB LYS 110 -15.217 11.574 -10.974 827 2HB LYS 110 1HB LYS 110 -15.049 10.497 -12.361 828 1HG LYS 110 2HG LYS 110 -16.587 11.844 -13.346 829 2HG LYS 110 1HG LYS 110 -17.755 10.982 -12.346 830 1HD LYS 110 2HD LYS 110 -17.335 12.697 -10.535 831 2HD LYS 110 1HD LYS 110 -16.388 13.609 -11.711 832 1HE LYS 110 2HE LYS 110 -18.236 14.255 -12.900 833 2HE LYS 110 1HE LYS 110 -19.089 12.742 -12.596 834 1HZ LYS 110 1HZ LYS 110 -19.210 15.205 -11.165 835 2HZ LYS 110 2HZ LYS 110 -18.831 13.909 -10.134 836 3HZ LYS 110 3HZ LYS 110 -20.240 13.860 -11.083 837 H PHE 111 H PHE 111 -15.172 7.690 -11.838 838 HA PHE 111 HA PHE 111 -17.494 7.036 -13.574 839 1HB PHE 111 2HB PHE 111 -14.578 6.307 -13.581 840 2HB PHE 111 1HB PHE 111 -15.734 5.282 -14.433 841 HD1 PHE 111 HD1 PHE 111 -13.948 8.445 -14.438 842 HD2 PHE 111 HD2 PHE 111 -17.191 6.273 -16.229 843 HE1 PHE 111 HE1 PHE 111 -13.981 10.053 -16.327 844 HE2 PHE 111 HE2 PHE 111 -17.224 7.880 -18.119 845 HZ PHE 111 HZ PHE 111 -15.619 9.770 -18.168 846 H ASP 112 H ASP 112 -15.134 4.857 -12.026 847 HA ASP 112 HA ASP 112 -16.737 3.722 -10.039 848 1HB ASP 112 2HB ASP 112 -17.502 2.886 -12.776 849 2HB ASP 112 1HB ASP 112 -17.293 1.572 -11.618 850 H ILE 113 H ILE 113 -13.958 4.151 -10.767 851 HA ILE 113 HA ILE 113 -12.984 1.329 -10.557 852 HB ILE 113 HB ILE 113 -10.929 2.053 -11.724 853 1HG1 ILE 113 2HG1 ILE 113 -12.416 4.690 -11.839 854 2HG1 ILE 113 1HG1 ILE 113 -10.822 4.381 -11.150 855 1HG2 ILE 113 1HG2 ILE 113 -11.846 1.995 -13.889 856 2HG2 ILE 113 2HG2 ILE 113 -13.254 2.949 -13.418 857 3HG2 ILE 113 3HG2 ILE 113 -13.116 1.266 -12.906 858 1HD1 ILE 113 1HD1 ILE 113 -11.616 4.347 -14.068 859 2HD1 ILE 113 2HD1 ILE 113 -10.098 3.661 -13.491 860 3HD1 ILE 113 3HD1 ILE 113 -10.423 5.382 -13.284 861 H ILE 114 H ILE 114 -10.668 1.360 -9.531 862 HA ILE 114 HA ILE 114 -10.685 3.351 -7.296 863 HB ILE 114 HB ILE 114 -11.183 1.256 -6.302 864 1HG1 ILE 114 2HG1 ILE 114 -8.157 1.443 -6.182 865 2HG1 ILE 114 1HG1 ILE 114 -9.235 2.525 -5.300 866 1HG2 ILE 114 1HG2 ILE 114 -9.314 -0.621 -6.937 867 2HG2 ILE 114 2HG2 ILE 114 -9.425 0.252 -8.466 868 3HG2 ILE 114 3HG2 ILE 114 -10.868 -0.476 -7.758 869 1HD1 ILE 114 1HD1 ILE 114 -9.078 0.951 -3.660 870 2HD1 ILE 114 2HD1 ILE 114 -8.579 -0.312 -4.786 871 3HD1 ILE 114 3HD1 ILE 114 -10.287 0.102 -4.624 872 H TYR 115 H TYR 115 -8.676 4.234 -6.704 873 HA TYR 115 HA TYR 115 -6.457 3.687 -8.631 874 1HB TYR 115 2HB TYR 115 -6.826 5.936 -8.965 875 2HB TYR 115 1HB TYR 115 -7.500 6.171 -7.353 876 HD1 TYR 115 HD1 TYR 115 -4.259 5.321 -9.045 877 HD2 TYR 115 HD2 TYR 115 -6.204 7.225 -5.722 878 HE1 TYR 115 HE1 TYR 115 -2.069 6.171 -8.249 879 HE2 TYR 115 HE2 TYR 115 -4.015 8.074 -4.926 880 HH TYR 115 HH TYR 115 -1.786 7.927 -5.179 881 H ASP 116 H ASP 116 -5.328 2.094 -7.497 882 HA ASP 116 HA ASP 116 -4.102 2.997 -4.937 883 1HB ASP 116 2HB ASP 116 -5.943 0.760 -5.307 884 2HB ASP 116 1HB ASP 116 -4.399 0.243 -4.628 885 H GLY 117 H GLY 117 -2.256 3.390 -6.415 886 1HA GLY 117 2HA GLY 117 -0.220 1.533 -6.312 887 2HA GLY 117 1HA GLY 117 -1.063 1.116 -7.804 888 H TRP 118 H TRP 118 0.609 3.782 -6.146 889 HA TRP 118 HA TRP 118 1.107 4.985 -8.840 890 1HB TRP 118 2HB TRP 118 0.878 7.094 -7.954 891 2HB TRP 118 1HB TRP 118 -0.145 6.236 -6.804 892 HD1 TRP 118 HD1 TRP 118 0.821 5.786 -4.375 893 HE1 TRP 118 HE1 TRP 118 2.774 6.846 -3.068 894 HE3 TRP 118 HE3 TRP 118 3.270 8.134 -8.193 895 HZ2 TRP 118 HZ2 TRP 118 5.069 8.475 -3.574 896 HZ3 TRP 118 HZ3 TRP 118 5.334 9.432 -7.753 897 HH2 TRP 118 HH2 TRP 118 6.237 9.604 -5.450 898 H GLY 119 H GLY 119 3.160 4.552 -9.497 899 1HA GLY 119 2HA GLY 119 5.329 4.690 -7.449 900 2HA GLY 119 1HA GLY 119 5.279 3.354 -8.601 901 H THR 120 H THR 120 7.448 5.221 -8.395 902 HA THR 120 HA THR 120 7.235 6.509 -11.084 903 HB THR 120 HB THR 120 7.214 8.340 -9.561 904 HG1 THR 120 HG1 THR 120 9.938 8.349 -9.780 905 1HG2 THR 120 1HG2 THR 120 7.747 7.169 -7.512 906 2HG2 THR 120 2HG2 THR 120 8.905 8.485 -7.706 907 3HG2 THR 120 3HG2 THR 120 9.381 6.829 -8.081 908 H TYR 121 H TYR 121 9.465 6.858 -12.061 909 HA TYR 121 HA TYR 121 11.147 4.476 -11.452 910 1HB TYR 121 2HB TYR 121 10.246 5.659 -13.875 911 2HB TYR 121 1HB TYR 121 11.993 5.895 -13.811 912 HD1 TYR 121 HD1 TYR 121 13.438 4.130 -14.364 913 HD2 TYR 121 HD2 TYR 121 9.363 3.277 -13.310 914 HE1 TYR 121 HE1 TYR 121 13.783 1.748 -14.959 915 HE2 TYR 121 HE2 TYR 121 9.706 0.895 -13.905 916 HH TYR 121 HH TYR 121 12.688 -0.208 -15.424 917 H TYR 122 H TYR 122 13.289 4.719 -10.839 918 HA TYR 122 HA TYR 122 14.105 7.411 -9.980 919 1HB TYR 122 2HB TYR 122 14.711 5.833 -8.373 920 2HB TYR 122 1HB TYR 122 15.148 4.623 -9.580 921 HD1 TYR 122 HD1 TYR 122 17.421 4.128 -9.470 922 HD2 TYR 122 HD2 TYR 122 16.139 8.203 -9.031 923 HE1 TYR 122 HE1 TYR 122 19.787 4.859 -9.354 924 HE2 TYR 122 HE2 TYR 122 18.505 8.936 -8.913 925 HH TYR 122 HH TYR 122 21.037 6.881 -8.341 926 H GLU 123 H GLU 123 14.752 8.639 -11.736 927 HA GLU 123 HA GLU 123 15.869 7.920 -14.142 928 1HB GLU 123 2HB GLU 123 15.805 10.299 -12.563 929 2HB GLU 123 1HB GLU 123 17.444 10.115 -13.186 930 1HG GLU 123 2HG GLU 123 16.218 11.331 -14.850 931 2HG GLU 123 1HG GLU 123 16.409 9.690 -15.468 932 H GLY 124 H GLY 124 17.488 6.496 -14.549 933 1HA GLY 124 2HA GLY 124 20.080 6.501 -14.358 934 2HA GLY 124 1HA GLY 124 19.768 6.365 -12.626 935 H LEU 125 H LEU 125 17.302 4.677 -13.418 936 HA LEU 125 HA LEU 125 18.708 2.114 -13.266 937 1HB LEU 125 2HB LEU 125 16.003 3.107 -12.795 938 2HB LEU 125 1HB LEU 125 15.998 1.579 -13.677 939 HG LEU 125 HG LEU 125 17.731 1.958 -11.240 940 1HD1 LEU 125 1HD1 LEU 125 14.855 1.959 -11.311 941 2HD1 LEU 125 2HD1 LEU 125 15.920 2.010 -9.906 942 3HD1 LEU 125 3HD1 LEU 125 15.410 0.458 -10.570 943 1HD2 LEU 125 1HD2 LEU 125 16.395 -0.543 -12.283 944 2HD2 LEU 125 2HD2 LEU 125 17.804 -0.413 -11.233 945 3HD2 LEU 125 3HD2 LEU 125 17.934 0.017 -12.938 946 H GLU 126 H GLU 126 19.293 3.481 -15.661 947 HA GLU 126 HA GLU 126 19.437 3.050 -17.962 948 1HB GLU 126 2HB GLU 126 19.695 0.682 -17.049 949 2HB GLU 126 1HB GLU 126 17.973 0.470 -17.367 950 1HG GLU 126 2HG GLU 126 18.258 0.804 -19.710 951 2HG GLU 126 1HG GLU 126 19.896 1.425 -19.495 952 H HIS 127 H HIS 127 17.952 2.574 -19.920 953 HA HIS 127 HA HIS 127 15.085 2.747 -19.526 954 1HB HIS 127 2HB HIS 127 15.001 5.060 -20.709 955 2HB HIS 127 1HB HIS 127 15.365 5.027 -18.983 956 HD2 HIS 127 HD2 HIS 127 17.192 5.799 -22.374 957 HE1 HIS 127 HE1 HIS 127 19.867 6.663 -19.221 958 HE2 HIS 127 HE2 HIS 127 19.497 6.834 -21.725 959 H HIS 128 H HIS 128 16.853 1.088 -21.030 960 HA HIS 128 HA HIS 128 16.428 1.973 -23.841 961 1HB HIS 128 2HB HIS 128 18.172 -0.136 -22.561 962 2HB HIS 128 1HB HIS 128 17.875 -0.112 -24.300 963 HD2 HIS 128 HD2 HIS 128 20.704 0.657 -24.535 964 HE1 HIS 128 HE1 HIS 128 20.018 4.607 -23.210 965 HE2 HIS 128 HE2 HIS 128 21.694 3.060 -24.320 966 H HIS 129 H HIS 129 14.940 0.942 -25.130 967 HA HIS 129 HA HIS 129 13.216 -1.081 -23.851 968 1HB HIS 129 2HB HIS 129 12.297 0.851 -25.201 969 2HB HIS 129 1HB HIS 129 12.989 0.093 -26.636 970 HD2 HIS 129 HD2 HIS 129 9.714 -0.005 -24.764 971 HE1 HIS 129 HE1 HIS 129 9.967 -3.746 -26.707 972 HE2 HIS 129 HE2 HIS 129 8.424 -2.161 -25.466 973 H HIS 130 H HIS 130 14.228 -3.071 -23.877 974 HA HIS 130 HA HIS 130 14.604 -4.335 -26.499 975 1HB HIS 130 2HB HIS 130 16.802 -3.115 -25.758 976 2HB HIS 130 1HB HIS 130 16.954 -4.458 -24.626 977 HD2 HIS 130 HD2 HIS 130 16.274 -4.249 -28.565 978 HE1 HIS 130 HE1 HIS 130 18.787 -7.542 -27.740 979 HE2 HIS 130 HE2 HIS 130 17.625 -6.236 -29.579 980 H HIS 131 H HIS 131 13.537 -4.440 -23.418 981 HA HIS 131 HA HIS 131 12.786 -6.188 -22.043 982 1HB HIS 131 2HB HIS 131 11.953 -7.012 -24.301 983 2HB HIS 131 1HB HIS 131 13.414 -7.996 -24.390 984 HD2 HIS 131 HD2 HIS 131 11.518 -10.260 -24.129 985 HE1 HIS 131 HE1 HIS 131 11.011 -9.645 -19.980 986 HE2 HIS 131 HE2 HIS 131 10.627 -11.267 -21.893 987 H HIS 132 HN HIS 132 14.001 -8.995 -22.624 988 HA HIS 132 HA HIS 132 16.733 -8.470 -21.544 989 1HB HIS 132 2HB HIS 132 15.441 -8.980 -19.587 990 2HB HIS 132 1HB HIS 132 14.625 -10.317 -20.396 991 HD2 HIS 132 HD2 HIS 132 15.833 -12.737 -19.852 992 HE1 HIS 132 HE1 HIS 132 19.675 -11.290 -18.860 993 HE2 HIS 132 HE2 HIS 132 18.231 -13.368 -19.041 Start of MODEL 13 1 1H MET 1 1H MET 1 -31.523 18.799 6.727 2 2H MET 1 2H MET 1 -32.793 19.909 6.932 3 3H MET 1 3H MET 1 -31.785 19.515 8.242 4 HA MET 1 HA MET 1 -30.235 20.457 6.065 5 1HB MET 1 2HB MET 1 -32.437 21.633 5.604 6 2HB MET 1 1HB MET 1 -32.261 22.417 7.174 7 1HG MET 1 2HG MET 1 -29.824 22.576 5.563 8 2HG MET 1 1HG MET 1 -31.205 23.342 4.778 9 1HE MET 1 1HE MET 1 -31.307 25.779 4.971 10 2HE MET 1 2HE MET 1 -31.876 26.459 6.494 11 3HE MET 1 3HE MET 1 -32.704 25.071 5.793 12 H SER 2 H SER 2 -29.114 19.478 8.108 13 HA SER 2 HA SER 2 -28.540 21.746 9.968 14 1HB SER 2 2HB SER 2 -29.673 20.331 11.424 15 2HB SER 2 1HB SER 2 -29.165 18.876 10.572 16 HG SER 2 HG SER 2 -28.127 19.702 12.725 17 H HIS 3 H HIS 3 -27.059 21.277 7.645 18 HA HIS 3 HA HIS 3 -24.898 20.745 6.869 19 1HB HIS 3 2HB HIS 3 -24.395 22.591 8.396 20 2HB HIS 3 1HB HIS 3 -24.333 21.473 9.760 21 HD2 HIS 3 HD2 HIS 3 -21.700 23.202 8.052 22 HE1 HIS 3 HE1 HIS 3 -20.228 19.245 7.997 23 HE2 HIS 3 HE2 HIS 3 -19.609 21.686 7.694 24 H GLN 4 H GLN 4 -25.264 18.458 6.552 25 HA GLN 4 HA GLN 4 -24.487 16.667 8.786 26 1HB GLN 4 2HB GLN 4 -26.219 16.449 6.496 27 2HB GLN 4 1HB GLN 4 -24.994 15.182 6.418 28 1HG GLN 4 2HG GLN 4 -26.642 15.778 8.891 29 2HG GLN 4 1HG GLN 4 -27.056 14.532 7.714 30 1HE2 GLN 4 1HE2 GLN 4 -26.623 12.670 9.007 31 2HE2 GLN 4 2HE2 GLN 4 -25.083 12.305 9.619 32 H ASP 5 H ASP 5 -22.495 15.710 8.864 33 HA ASP 5 HA ASP 5 -20.547 16.419 6.776 34 1HB ASP 5 2HB ASP 5 -19.009 15.040 8.357 35 2HB ASP 5 1HB ASP 5 -19.630 16.586 8.940 36 H ASP 6 H ASP 6 -20.714 13.282 8.431 37 HA ASP 6 HA ASP 6 -20.568 11.115 7.531 38 1HB ASP 6 2HB ASP 6 -22.905 12.130 6.728 39 2HB ASP 6 1HB ASP 6 -22.141 11.990 5.144 40 H TYR 7 H TYR 7 -18.401 12.810 6.875 41 HA TYR 7 HA TYR 7 -17.817 12.854 4.066 42 1HB TYR 7 2HB TYR 7 -16.284 13.223 6.590 43 2HB TYR 7 1HB TYR 7 -15.351 12.814 5.150 44 HD1 TYR 7 HD1 TYR 7 -16.944 15.442 6.955 45 HD2 TYR 7 HD2 TYR 7 -15.885 14.178 2.988 46 HE1 TYR 7 HE1 TYR 7 -17.151 17.781 6.154 47 HE2 TYR 7 HE2 TYR 7 -16.093 16.516 2.188 48 HH TYR 7 HH TYR 7 -17.284 18.591 2.875 49 H LEU 8 H LEU 8 -16.732 11.355 2.778 50 HA LEU 8 HA LEU 8 -16.770 8.583 3.733 51 1HB LEU 8 2HB LEU 8 -15.621 9.486 1.097 52 2HB LEU 8 1HB LEU 8 -16.433 7.969 1.484 53 HG LEU 8 HG LEU 8 -18.313 9.955 2.096 54 1HD1 LEU 8 1HD1 LEU 8 -18.452 11.251 -0.008 55 2HD1 LEU 8 2HD1 LEU 8 -16.940 10.523 -0.550 56 3HD1 LEU 8 3HD1 LEU 8 -16.951 11.589 0.856 57 1HD2 LEU 8 1HD2 LEU 8 -17.941 8.107 -0.275 58 2HD2 LEU 8 2HD2 LEU 8 -19.407 9.056 -0.027 59 3HD2 LEU 8 3HD2 LEU 8 -18.934 7.838 1.157 60 H SER 9 H SER 9 -14.567 7.450 2.512 61 HA SER 9 HA SER 9 -12.383 8.495 4.221 62 1HB SER 9 2HB SER 9 -12.289 5.968 2.578 63 2HB SER 9 1HB SER 9 -11.387 6.358 4.040 64 HG SER 9 HG SER 9 -13.849 6.582 4.755 65 H VAL 10 H VAL 10 -13.445 8.715 1.028 66 HA VAL 10 HA VAL 10 -11.215 8.511 -0.602 67 HB VAL 10 HB VAL 10 -13.297 10.715 -0.547 68 1HG1 VAL 10 1HG1 VAL 10 -12.310 10.452 -3.145 69 2HG1 VAL 10 2HG1 VAL 10 -10.866 10.410 -2.133 70 3HG1 VAL 10 3HG1 VAL 10 -11.972 11.780 -2.035 71 1HG2 VAL 10 1HG2 VAL 10 -14.177 8.450 -0.942 72 2HG2 VAL 10 2HG2 VAL 10 -12.983 8.197 -2.217 73 3HG2 VAL 10 3HG2 VAL 10 -14.256 9.400 -2.426 74 H GLU 11 H GLU 11 -11.895 10.967 1.830 75 HA GLU 11 HA GLU 11 -9.599 12.620 1.118 76 1HB GLU 11 2HB GLU 11 -11.210 12.551 3.692 77 2HB GLU 11 1HB GLU 11 -10.113 13.836 3.185 78 1HG GLU 11 2HG GLU 11 -12.196 13.119 1.211 79 2HG GLU 11 1HG GLU 11 -12.795 13.855 2.697 80 H GLU 12 H GLU 12 -10.142 9.755 2.936 81 HA GLU 12 HA GLU 12 -7.883 9.987 4.735 82 1HB GLU 12 2HB GLU 12 -9.416 7.559 3.746 83 2HB GLU 12 1HB GLU 12 -8.227 7.533 5.048 84 1HG GLU 12 2HG GLU 12 -10.467 9.513 5.199 85 2HG GLU 12 1HG GLU 12 -10.804 7.825 5.587 86 H LEU 13 H LEU 13 -8.391 8.002 1.790 87 HA LEU 13 HA LEU 13 -5.795 7.003 1.507 88 1HB LEU 13 2HB LEU 13 -7.610 7.974 -0.723 89 2HB LEU 13 1HB LEU 13 -6.262 6.851 -0.906 90 HG LEU 13 HG LEU 13 -8.289 6.151 1.152 91 1HD1 LEU 13 1HD1 LEU 13 -9.629 6.986 -0.808 92 2HD1 LEU 13 2HD1 LEU 13 -9.864 5.271 -0.469 93 3HD1 LEU 13 3HD1 LEU 13 -8.831 5.772 -1.808 94 1HD2 LEU 13 1HD2 LEU 13 -6.692 4.688 -0.969 95 2HD2 LEU 13 2HD2 LEU 13 -7.866 3.889 0.077 96 3HD2 LEU 13 3HD2 LEU 13 -6.439 4.653 0.776 97 H ILE 14 H ILE 14 -7.066 10.102 0.260 98 HA ILE 14 HA ILE 14 -4.745 11.050 -1.001 99 HB ILE 14 HB ILE 14 -6.930 12.474 0.521 100 1HG1 ILE 14 2HG1 ILE 14 -6.281 12.749 -2.399 101 2HG1 ILE 14 1HG1 ILE 14 -7.113 11.299 -1.836 102 1HG2 ILE 14 1HG2 ILE 14 -5.907 14.523 -0.760 103 2HG2 ILE 14 2HG2 ILE 14 -4.422 13.570 -0.724 104 3HG2 ILE 14 3HG2 ILE 14 -5.209 14.036 0.785 105 1HD1 ILE 14 1HD1 ILE 14 -8.594 13.268 -2.580 106 2HD1 ILE 14 2HD1 ILE 14 -8.071 14.066 -1.096 107 3HD1 ILE 14 3HD1 ILE 14 -8.960 12.544 -1.014 108 H GLU 15 H GLU 15 -5.717 12.006 2.315 109 HA GLU 15 HA GLU 15 -3.386 13.204 3.169 110 1HB GLU 15 2HB GLU 15 -5.179 11.293 4.688 111 2HB GLU 15 1HB GLU 15 -3.896 12.226 5.459 112 1HG GLU 15 2HG GLU 15 -5.772 13.737 3.711 113 2HG GLU 15 1HG GLU 15 -6.420 13.146 5.242 114 H ILE 16 H ILE 16 -4.017 9.693 3.544 115 HA ILE 16 HA ILE 16 -1.489 8.913 4.448 116 HB ILE 16 HB ILE 16 -3.196 7.409 2.439 117 1HG1 ILE 16 2HG1 ILE 16 -3.243 7.366 5.475 118 2HG1 ILE 16 1HG1 ILE 16 -4.458 8.140 4.458 119 1HG2 ILE 16 1HG2 ILE 16 -1.447 5.971 2.551 120 2HG2 ILE 16 2HG2 ILE 16 -2.021 5.611 4.179 121 3HG2 ILE 16 3HG2 ILE 16 -0.746 6.804 3.939 122 1HD1 ILE 16 1HD1 ILE 16 -5.531 6.153 4.445 123 2HD1 ILE 16 2HD1 ILE 16 -4.140 5.318 5.135 124 3HD1 ILE 16 3HD1 ILE 16 -4.239 5.575 3.393 125 H GLN 17 H GLN 17 -2.460 8.602 1.009 126 HA GLN 17 HA GLN 17 -0.018 8.146 -0.158 127 1HB GLN 17 2HB GLN 17 -2.473 9.525 -1.010 128 2HB GLN 17 1HB GLN 17 -1.032 10.049 -1.880 129 1HG GLN 17 2HG GLN 17 -1.946 8.173 -3.084 130 2HG GLN 17 1HG GLN 17 -0.488 7.610 -2.266 131 1HE2 GLN 17 1HE2 GLN 17 -1.281 5.388 -2.149 132 2HE2 GLN 17 2HE2 GLN 17 -2.539 4.954 -1.095 133 H LYS 18 H LYS 18 -1.272 11.435 0.529 134 HA LYS 18 HA LYS 18 0.820 13.026 -0.237 135 1HB LYS 18 2HB LYS 18 -1.288 13.260 1.632 136 2HB LYS 18 1HB LYS 18 0.174 13.748 2.488 137 1HG LYS 18 2HG LYS 18 -0.505 15.752 1.484 138 2HG LYS 18 1HG LYS 18 0.672 15.136 0.325 139 1HD LYS 18 2HD LYS 18 -0.968 15.352 -1.219 140 2HD LYS 18 1HD LYS 18 -1.682 13.917 -0.480 141 1HE LYS 18 2HE LYS 18 -2.296 16.808 0.187 142 2HE LYS 18 1HE LYS 18 -3.385 15.631 -0.547 143 1HZ LYS 18 1HZ LYS 18 -2.434 14.495 1.795 144 2HZ LYS 18 2HZ LYS 18 -4.007 15.054 1.481 145 3HZ LYS 18 3HZ LYS 18 -2.860 16.089 2.187 146 H GLU 19 H GLU 19 0.716 11.490 3.001 147 HA GLU 19 HA GLU 19 3.373 12.124 3.739 148 1HB GLU 19 2HB GLU 19 1.268 10.350 4.681 149 2HB GLU 19 1HB GLU 19 2.859 9.611 4.866 150 1HG GLU 19 2HG GLU 19 3.641 11.338 6.253 151 2HG GLU 19 1HG GLU 19 2.402 12.467 5.704 152 H GLU 20 H GLU 20 2.282 8.882 2.669 153 HA GLU 20 HA GLU 20 4.650 7.604 2.248 154 1HB GLU 20 2HB GLU 20 2.063 7.583 0.827 155 2HB GLU 20 1HB GLU 20 3.419 6.965 -0.117 156 1HG GLU 20 2HG GLU 20 2.895 6.063 2.721 157 2HG GLU 20 1HG GLU 20 2.172 5.255 1.330 158 H THR 21 H THR 21 3.301 10.072 0.058 159 HA THR 21 HA THR 21 5.320 9.941 -1.935 160 HB THR 21 HB THR 21 4.084 12.559 -1.117 161 HG1 THR 21 HG1 THR 21 2.240 11.560 -1.182 162 1HG2 THR 21 1HG2 THR 21 5.592 11.647 -3.297 163 2HG2 THR 21 2HG2 THR 21 4.706 13.168 -3.194 164 3HG2 THR 21 3HG2 THR 21 3.938 11.747 -3.901 165 H ARG 22 H ARG 22 5.086 12.357 0.708 166 HA ARG 22 HA ARG 22 7.540 13.594 0.445 167 1HB ARG 22 2HB ARG 22 5.724 13.922 2.263 168 2HB ARG 22 1HB ARG 22 6.602 12.688 3.167 169 1HG ARG 22 2HG ARG 22 8.575 14.008 3.264 170 2HG ARG 22 1HG ARG 22 7.991 15.111 2.017 171 1HD ARG 22 2HD ARG 22 7.849 15.746 4.605 172 2HD ARG 22 1HD ARG 22 6.590 16.234 3.469 173 HE ARG 22 HE ARG 22 5.738 13.755 4.354 174 1HH1 ARG 22 1HH2 ARG 22 6.765 16.704 5.816 175 2HH1 ARG 22 2HH2 ARG 22 5.751 16.523 7.207 176 1HH2 ARG 22 2HH1 ARG 22 4.404 13.503 6.163 177 2HH2 ARG 22 1HH1 ARG 22 4.414 14.711 7.403 178 H ASP 23 H ASP 23 6.943 10.475 2.076 179 HA ASP 23 HA ASP 23 9.572 9.966 2.968 180 1HB ASP 23 2HB ASP 23 7.149 8.449 2.569 181 2HB ASP 23 1HB ASP 23 8.534 7.502 2.027 182 H ILE 24 H ILE 24 8.086 9.156 -0.176 183 HA ILE 24 HA ILE 24 10.523 8.063 -1.280 184 HB ILE 24 HB ILE 24 7.934 9.036 -2.505 185 1HG1 ILE 24 2HG1 ILE 24 9.021 6.256 -2.708 186 2HG1 ILE 24 1HG1 ILE 24 8.386 6.778 -1.148 187 1HG2 ILE 24 1HG2 ILE 24 10.442 7.994 -3.836 188 2HG2 ILE 24 2HG2 ILE 24 9.540 9.461 -4.214 189 3HG2 ILE 24 3HG2 ILE 24 8.855 7.882 -4.601 190 1HD1 ILE 24 1HD1 ILE 24 6.571 5.768 -2.396 191 2HD1 ILE 24 2HD1 ILE 24 6.919 6.778 -3.800 192 3HD1 ILE 24 3HD1 ILE 24 6.285 7.507 -2.324 193 H ILE 25 H ILE 25 8.781 11.026 -2.292 194 HA ILE 25 HA ILE 25 10.663 12.272 -3.823 195 HB ILE 25 HB ILE 25 9.236 13.727 -1.580 196 1HG1 ILE 25 2HG1 ILE 25 7.559 12.411 -2.662 197 2HG1 ILE 25 1HG1 ILE 25 7.443 14.015 -3.387 198 1HG2 ILE 25 1HG2 ILE 25 10.635 14.487 -4.095 199 2HG2 ILE 25 2HG2 ILE 25 10.477 15.378 -2.581 200 3HG2 ILE 25 3HG2 ILE 25 9.142 15.353 -3.731 201 1HD1 ILE 25 1HD1 ILE 25 8.701 11.527 -4.552 202 2HD1 ILE 25 2HD1 ILE 25 9.061 13.134 -5.184 203 3HD1 ILE 25 3HD1 ILE 25 7.410 12.517 -5.231 204 H GLN 26 H GLN 26 10.891 11.734 -0.364 205 HA GLN 26 HA GLN 26 13.182 13.497 0.005 206 1HB GLN 26 2HB GLN 26 11.930 11.321 1.694 207 2HB GLN 26 1HB GLN 26 13.377 12.196 2.198 208 1HG GLN 26 2HG GLN 26 11.169 13.913 1.248 209 2HG GLN 26 1HG GLN 26 10.826 13.026 2.733 210 1HE2 GLN 26 1HE2 GLN 26 12.441 15.779 1.466 211 2HE2 GLN 26 2HE2 GLN 26 13.322 16.187 2.859 212 H ALA 27 H ALA 27 12.791 9.936 -0.077 213 HA ALA 27 HA ALA 27 15.495 9.219 0.104 214 1HB ALA 27 1HB ALA 27 14.615 7.344 -1.635 215 2HB ALA 27 2HB ALA 27 13.067 7.989 -1.088 216 3HB ALA 27 3HB ALA 27 14.206 7.323 0.082 217 H LEU 28 H LEU 28 13.645 9.939 -2.878 218 HA LEU 28 HA LEU 28 15.823 9.601 -4.678 219 1HB LEU 28 2HB LEU 28 13.582 11.609 -5.017 220 2HB LEU 28 1HB LEU 28 14.491 10.785 -6.284 221 HG LEU 28 HG LEU 28 12.508 9.565 -4.349 222 1HD1 LEU 28 1HD1 LEU 28 12.599 10.214 -7.260 223 2HD1 LEU 28 2HD1 LEU 28 11.238 10.268 -6.140 224 3HD1 LEU 28 3HD1 LEU 28 11.783 8.722 -6.791 225 1HD2 LEU 28 1HD2 LEU 28 14.328 8.000 -4.478 226 2HD2 LEU 28 2HD2 LEU 28 14.510 8.260 -6.212 227 3HD2 LEU 28 3HD2 LEU 28 13.090 7.418 -5.591 228 H LEU 29 H LEU 29 14.475 12.728 -3.544 229 HA LEU 29 HA LEU 29 16.457 14.424 -4.475 230 1HB LEU 29 2HB LEU 29 14.516 14.488 -2.295 231 2HB LEU 29 1HB LEU 29 15.972 15.407 -1.912 232 HG LEU 29 HG LEU 29 14.625 15.713 -4.589 233 1HD1 LEU 29 1HD1 LEU 29 13.251 17.485 -3.734 234 2HD1 LEU 29 2HD1 LEU 29 14.027 17.407 -2.151 235 3HD1 LEU 29 3HD1 LEU 29 12.980 16.092 -2.686 236 1HD2 LEU 29 1HD2 LEU 29 16.902 16.630 -4.246 237 2HD2 LEU 29 2HD2 LEU 29 16.315 17.552 -2.862 238 3HD2 LEU 29 3HD2 LEU 29 15.721 17.920 -4.482 239 H GLU 30 H GLU 30 16.516 12.833 -1.261 240 HA GLU 30 HA GLU 30 19.084 13.667 -0.480 241 1HB GLU 30 2HB GLU 30 17.717 12.502 1.109 242 2HB GLU 30 1HB GLU 30 17.607 11.082 0.068 243 1HG GLU 30 2HG GLU 30 19.871 10.495 0.434 244 2HG GLU 30 1HG GLU 30 20.269 12.092 1.068 245 H ASP 31 H ASP 31 18.143 11.137 -2.744 246 HA ASP 31 HA ASP 31 20.722 9.871 -2.917 247 1HB ASP 31 2HB ASP 31 18.155 9.650 -4.219 248 2HB ASP 31 1HB ASP 31 19.438 9.649 -5.430 249 H GLY 32 H GLY 32 19.415 12.808 -4.244 250 1HA GLY 32 2HA GLY 32 20.767 14.561 -5.173 251 2HA GLY 32 1HA GLY 32 22.054 13.387 -5.449 252 H SER 33 H SER 33 18.702 12.859 -6.397 253 HA SER 33 HA SER 33 19.522 12.280 -9.124 254 1HB SER 33 2HB SER 33 17.648 11.040 -8.829 255 2HB SER 33 1HB SER 33 17.086 12.058 -7.507 256 HG SER 33 HG SER 33 16.526 13.607 -9.207 257 H ASP 34 H ASP 34 19.689 13.717 -10.767 258 HA ASP 34 HA ASP 34 19.623 16.456 -10.613 259 1HB ASP 34 2HB ASP 34 19.705 14.572 -12.700 260 2HB ASP 34 1HB ASP 34 18.402 15.682 -13.121 261 HA PRO 35 HA PRO 35 15.246 16.912 -9.365 262 1HB PRO 35 2HB PRO 35 16.087 19.760 -9.323 263 2HB PRO 35 1HB PRO 35 15.292 18.799 -8.063 264 1HG PRO 35 2HG PRO 35 17.872 19.501 -7.917 265 2HG PRO 35 1HG PRO 35 17.264 17.972 -7.262 266 1HD PRO 35 2HD PRO 35 18.864 18.457 -9.732 267 2HD PRO 35 1HD PRO 35 18.839 17.040 -8.658 268 H ASP 36 H ASP 36 16.942 18.067 -12.101 269 HA ASP 36 HA ASP 36 14.383 19.094 -13.266 270 1HB ASP 36 2HB ASP 36 16.383 20.714 -12.949 271 2HB ASP 36 1HB ASP 36 17.117 19.839 -14.293 272 H ALA 37 H ALA 37 15.918 16.344 -13.226 273 HA ALA 37 HA ALA 37 16.364 15.936 -16.107 274 1HB ALA 37 1HB ALA 37 16.516 13.451 -15.176 275 2HB ALA 37 2HB ALA 37 16.692 14.285 -13.631 276 3HB ALA 37 3HB ALA 37 17.842 14.589 -14.934 277 H LEU 38 H LEU 38 13.658 16.290 -14.346 278 HA LEU 38 HA LEU 38 11.420 15.700 -14.732 279 1HB LEU 38 2HB LEU 38 12.796 15.280 -17.268 280 2HB LEU 38 1HB LEU 38 11.444 14.164 -17.066 281 HG LEU 38 HG LEU 38 11.129 17.100 -16.462 282 1HD1 LEU 38 1HD1 LEU 38 10.603 15.776 -19.139 283 2HD1 LEU 38 2HD1 LEU 38 12.009 16.787 -18.802 284 3HD1 LEU 38 3HD1 LEU 38 10.389 17.479 -18.737 285 1HD2 LEU 38 1HD2 LEU 38 9.220 14.903 -17.331 286 2HD2 LEU 38 2HD2 LEU 38 8.765 16.568 -16.969 287 3HD2 LEU 38 3HD2 LEU 38 9.390 15.528 -15.690 288 H TYR 39 H TYR 39 10.109 13.952 -14.145 289 HA TYR 39 HA TYR 39 11.465 11.293 -13.969 290 1HB TYR 39 2HB TYR 39 10.372 12.964 -11.843 291 2HB TYR 39 1HB TYR 39 9.614 11.372 -11.877 292 HD1 TYR 39 HD1 TYR 39 13.082 12.644 -12.576 293 HD2 TYR 39 HD2 TYR 39 10.612 9.910 -10.368 294 HE1 TYR 39 HE1 TYR 39 15.105 11.657 -11.535 295 HE2 TYR 39 HE2 TYR 39 12.635 8.923 -9.327 296 HH TYR 39 HH TYR 39 15.381 10.231 -9.045 297 H GLU 40 H GLU 40 9.911 9.466 -13.915 298 HA GLU 40 HA GLU 40 7.429 10.155 -15.431 299 1HB GLU 40 2HB GLU 40 8.325 7.337 -15.352 300 2HB GLU 40 1HB GLU 40 7.755 8.299 -16.716 301 1HG GLU 40 2HG GLU 40 10.035 9.568 -16.421 302 2HG GLU 40 1HG GLU 40 10.524 8.106 -15.566 303 H ILE 41 H ILE 41 5.521 9.803 -14.401 304 HA ILE 41 HA ILE 41 5.582 8.244 -11.864 305 HB ILE 41 HB ILE 41 3.166 9.786 -12.714 306 1HG1 ILE 41 2HG1 ILE 41 5.152 11.248 -13.250 307 2HG1 ILE 41 1HG1 ILE 41 4.111 11.897 -11.984 308 1HG2 ILE 41 1HG2 ILE 41 4.650 9.430 -10.091 309 2HG2 ILE 41 2HG2 ILE 41 3.218 8.532 -10.595 310 3HG2 ILE 41 3HG2 ILE 41 3.109 10.265 -10.288 311 1HD1 ILE 41 1HD1 ILE 41 6.700 11.870 -11.601 312 2HD1 ILE 41 2HD1 ILE 41 6.454 10.160 -11.251 313 3HD1 ILE 41 3HD1 ILE 41 5.634 11.386 -10.283 314 H GLU 42 H GLU 42 4.524 6.309 -11.740 315 HA GLU 42 HA GLU 42 2.816 5.541 -14.074 316 1HB GLU 42 2HB GLU 42 4.941 4.245 -13.847 317 2HB GLU 42 1HB GLU 42 4.414 3.720 -12.248 318 1HG GLU 42 2HG GLU 42 2.954 2.206 -13.096 319 2HG GLU 42 1HG GLU 42 2.397 3.315 -14.349 320 H HIS 43 H HIS 43 0.701 5.239 -13.566 321 HA HIS 43 HA HIS 43 0.028 4.681 -10.704 322 1HB HIS 43 2HB HIS 43 -1.756 5.974 -12.786 323 2HB HIS 43 1HB HIS 43 -2.061 5.845 -11.053 324 HD2 HIS 43 HD2 HIS 43 1.092 7.345 -13.009 325 HE1 HIS 43 HE1 HIS 43 -0.123 10.051 -10.003 326 HE2 HIS 43 HE2 HIS 43 1.571 9.629 -11.843 327 H HIS 44 H HIS 44 -1.290 2.925 -10.274 328 HA HIS 44 HA HIS 44 -1.941 1.191 -12.609 329 1HB HIS 44 2HB HIS 44 -2.015 0.389 -9.694 330 2HB HIS 44 1HB HIS 44 -1.903 -0.660 -11.107 331 HD2 HIS 44 HD2 HIS 44 0.674 0.279 -12.658 332 HE1 HIS 44 HE1 HIS 44 2.673 0.556 -8.949 333 HE2 HIS 44 HE2 HIS 44 2.987 0.434 -11.463 334 H LEU 45 H LEU 45 -4.036 1.207 -13.259 335 HA LEU 45 HA LEU 45 -6.141 1.652 -11.180 336 1HB LEU 45 2HB LEU 45 -5.917 2.824 -13.961 337 2HB LEU 45 1HB LEU 45 -7.453 2.750 -13.100 338 HG LEU 45 HG LEU 45 -5.906 3.820 -11.157 339 1HD1 LEU 45 1HD1 LEU 45 -4.859 5.166 -13.642 340 2HD1 LEU 45 2HD1 LEU 45 -4.005 3.797 -12.931 341 3HD1 LEU 45 3HD1 LEU 45 -4.247 5.269 -11.991 342 1HD2 LEU 45 1HD2 LEU 45 -6.878 5.976 -11.781 343 2HD2 LEU 45 2HD2 LEU 45 -8.054 4.697 -12.083 344 3HD2 LEU 45 3HD2 LEU 45 -7.155 5.404 -13.425 345 H PHE 46 H PHE 46 -7.815 0.174 -11.255 346 HA PHE 46 HA PHE 46 -7.867 -1.673 -13.604 347 1HB PHE 46 2HB PHE 46 -8.848 -3.038 -11.311 348 2HB PHE 46 1HB PHE 46 -7.376 -3.378 -12.221 349 HD1 PHE 46 HD1 PHE 46 -5.381 -1.653 -11.735 350 HD2 PHE 46 HD2 PHE 46 -8.626 -2.514 -9.056 351 HE1 PHE 46 HE1 PHE 46 -4.015 -0.855 -9.826 352 HE2 PHE 46 HE2 PHE 46 -7.260 -1.715 -7.146 353 HZ PHE 46 HZ PHE 46 -4.955 -0.887 -7.530 354 H ALA 47 H ALA 47 -10.015 -2.865 -13.733 355 HA ALA 47 HA ALA 47 -12.299 -1.457 -12.509 356 1HB ALA 47 1HB ALA 47 -13.251 -0.643 -14.493 357 2HB ALA 47 2HB ALA 47 -12.264 -1.695 -15.510 358 3HB ALA 47 3HB ALA 47 -11.538 -0.293 -14.725 359 H GLU 48 H GLU 48 -14.410 -2.548 -13.530 360 HA GLU 48 HA GLU 48 -13.837 -5.482 -13.666 361 1HB GLU 48 2HB GLU 48 -15.152 -4.524 -11.667 362 2HB GLU 48 1HB GLU 48 -16.461 -4.250 -12.816 363 1HG GLU 48 2HG GLU 48 -16.540 -6.611 -13.376 364 2HG GLU 48 1HG GLU 48 -15.120 -6.932 -12.381 365 H ASP 49 H ASP 49 -15.550 -2.790 -15.125 366 HA ASP 49 HA ASP 49 -16.513 -4.661 -17.253 367 1HB ASP 49 2HB ASP 49 -18.148 -3.183 -15.736 368 2HB ASP 49 1HB ASP 49 -17.736 -1.956 -16.935 369 H PHE 50 H PHE 50 -15.146 -4.471 -18.965 370 HA PHE 50 HA PHE 50 -13.321 -2.438 -19.515 371 1HB PHE 50 2HB PHE 50 -13.170 -3.303 -21.715 372 2HB PHE 50 1HB PHE 50 -13.703 -4.680 -20.750 373 HD1 PHE 50 HD1 PHE 50 -14.557 -2.381 -23.427 374 HD2 PHE 50 HD2 PHE 50 -16.148 -5.288 -20.695 375 HE1 PHE 50 HE1 PHE 50 -16.599 -2.574 -24.822 376 HE2 PHE 50 HE2 PHE 50 -18.189 -5.482 -22.089 377 HZ PHE 50 HZ PHE 50 -18.415 -4.124 -24.152 378 H ASP 51 H ASP 51 -16.763 -2.344 -19.783 379 HA ASP 51 HA ASP 51 -17.010 -0.239 -21.720 380 1HB ASP 51 2HB ASP 51 -18.872 -1.744 -20.848 381 2HB ASP 51 1HB ASP 51 -18.882 -0.743 -19.395 382 H LYS 52 H LYS 52 -17.617 0.073 -18.203 383 HA LYS 52 HA LYS 52 -17.293 2.895 -18.169 384 1HB LYS 52 2HB LYS 52 -17.657 2.719 -15.915 385 2HB LYS 52 1HB LYS 52 -18.104 1.068 -16.336 386 1HG LYS 52 2HG LYS 52 -15.695 0.409 -15.949 387 2HG LYS 52 1HG LYS 52 -15.420 2.031 -15.315 388 1HD LYS 52 2HD LYS 52 -16.122 1.277 -13.311 389 2HD LYS 52 1HD LYS 52 -17.735 1.133 -14.009 390 1HE LYS 52 2HE LYS 52 -16.849 -1.154 -14.927 391 2HE LYS 52 1HE LYS 52 -15.631 -0.986 -13.664 392 1HZ LYS 52 1HZ LYS 52 -17.503 -2.193 -12.813 393 2HZ LYS 52 2HZ LYS 52 -18.577 -0.968 -13.297 394 3HZ LYS 52 3HZ LYS 52 -17.450 -0.674 -12.061 395 H LEU 53 H LEU 53 -14.958 0.305 -18.126 396 HA LEU 53 HA LEU 53 -12.724 1.774 -17.089 397 1HB LEU 53 2HB LEU 53 -12.934 -0.766 -17.496 398 2HB LEU 53 1HB LEU 53 -12.515 -0.405 -19.171 399 HG LEU 53 HG LEU 53 -10.846 0.483 -16.805 400 1HD1 LEU 53 1HD1 LEU 53 -9.719 -1.586 -18.530 401 2HD1 LEU 53 2HD1 LEU 53 -11.178 -2.133 -17.703 402 3HD1 LEU 53 3HD1 LEU 53 -9.812 -1.525 -16.770 403 1HD2 LEU 53 1HD2 LEU 53 -10.286 1.856 -18.617 404 2HD2 LEU 53 2HD2 LEU 53 -10.596 0.586 -19.801 405 3HD2 LEU 53 3HD2 LEU 53 -9.143 0.526 -18.803 406 H GLU 54 H GLU 54 -13.474 0.937 -20.497 407 HA GLU 54 HA GLU 54 -11.539 2.538 -21.732 408 1HB GLU 54 2HB GLU 54 -14.195 1.470 -22.510 409 2HB GLU 54 1HB GLU 54 -13.611 2.833 -23.467 410 1HG GLU 54 2HG GLU 54 -11.788 1.661 -24.284 411 2HG GLU 54 1HG GLU 54 -11.708 0.600 -22.875 412 H LYS 55 H LYS 55 -14.716 3.485 -20.473 413 HA LYS 55 HA LYS 55 -14.785 6.136 -21.482 414 1HB LYS 55 2HB LYS 55 -15.868 5.023 -18.877 415 2HB LYS 55 1HB LYS 55 -16.286 6.604 -19.537 416 1HG LYS 55 2HG LYS 55 -16.890 5.246 -21.697 417 2HG LYS 55 1HG LYS 55 -16.979 3.876 -20.589 418 1HD LYS 55 2HD LYS 55 -18.493 5.351 -19.135 419 2HD LYS 55 1HD LYS 55 -18.601 6.425 -20.531 420 1HE LYS 55 2HE LYS 55 -19.037 3.808 -21.515 421 2HE LYS 55 1HE LYS 55 -20.007 3.954 -20.048 422 1HZ LYS 55 1HZ LYS 55 -20.064 5.685 -22.450 423 2HZ LYS 55 2HZ LYS 55 -20.775 6.144 -20.976 424 3HZ LYS 55 3HZ LYS 55 -21.329 4.762 -21.797 425 H ALA 56 H ALA 56 -13.527 4.952 -18.343 426 HA ALA 56 HA ALA 56 -12.543 7.526 -17.519 427 1HB ALA 56 1HB ALA 56 -10.936 5.607 -16.271 428 2HB ALA 56 2HB ALA 56 -12.472 4.784 -16.537 429 3HB ALA 56 3HB ALA 56 -12.427 6.295 -15.629 430 H ALA 57 H ALA 57 -10.643 4.654 -18.517 431 HA ALA 57 HA ALA 57 -8.153 5.782 -18.815 432 1HB ALA 57 1HB ALA 57 -8.034 3.591 -19.458 433 2HB ALA 57 2HB ALA 57 -8.190 4.278 -21.074 434 3HB ALA 57 3HB ALA 57 -9.610 3.634 -20.251 435 H VAL 58 H VAL 58 -10.757 5.932 -21.262 436 HA VAL 58 HA VAL 58 -9.367 7.397 -23.229 437 HB VAL 58 HB VAL 58 -12.261 7.235 -22.431 438 1HG1 VAL 58 1HG1 VAL 58 -12.411 9.410 -23.184 439 2HG1 VAL 58 2HG1 VAL 58 -12.467 8.579 -24.738 440 3HG1 VAL 58 3HG1 VAL 58 -10.953 9.280 -24.168 441 1HG2 VAL 58 1HG2 VAL 58 -11.370 5.387 -23.714 442 2HG2 VAL 58 2HG2 VAL 58 -10.620 6.488 -24.869 443 3HG2 VAL 58 3HG2 VAL 58 -12.377 6.349 -24.796 444 H GLU 59 H GLU 59 -11.336 8.673 -20.520 445 HA GLU 59 HA GLU 59 -10.847 11.424 -21.054 446 1HB GLU 59 2HB GLU 59 -11.470 9.925 -18.504 447 2HB GLU 59 1HB GLU 59 -11.289 11.679 -18.539 448 1HG GLU 59 2HG GLU 59 -13.085 10.412 -20.566 449 2HG GLU 59 1HG GLU 59 -13.667 10.542 -18.905 450 H ALA 60 H ALA 60 -8.992 9.052 -19.169 451 HA ALA 60 HA ALA 60 -7.101 10.852 -18.043 452 1HB ALA 60 1HB ALA 60 -6.546 8.022 -18.979 453 2HB ALA 60 2HB ALA 60 -7.346 8.414 -17.456 454 3HB ALA 60 3HB ALA 60 -5.677 8.916 -17.731 455 H PHE 61 H PHE 61 -6.713 8.823 -20.975 456 HA PHE 61 HA PHE 61 -4.302 9.872 -21.904 457 1HB PHE 61 2HB PHE 61 -5.571 8.008 -22.982 458 2HB PHE 61 1HB PHE 61 -6.701 9.196 -23.632 459 HD1 PHE 61 HD1 PHE 61 -6.225 10.341 -25.636 460 HD2 PHE 61 HD2 PHE 61 -3.078 8.284 -23.556 461 HE1 PHE 61 HE1 PHE 61 -4.692 10.759 -27.541 462 HE2 PHE 61 HE2 PHE 61 -1.546 8.704 -25.460 463 HZ PHE 61 HZ PHE 61 -2.352 9.941 -27.452 464 H LYS 62 H LYS 62 -7.581 11.152 -22.516 465 HA LYS 62 HA LYS 62 -6.951 13.312 -24.170 466 1HB LYS 62 2HB LYS 62 -9.119 12.604 -22.367 467 2HB LYS 62 1HB LYS 62 -8.827 14.343 -22.356 468 1HG LYS 62 2HG LYS 62 -8.926 14.358 -24.837 469 2HG LYS 62 1HG LYS 62 -9.287 12.631 -24.817 470 1HD LYS 62 2HD LYS 62 -11.400 13.744 -24.992 471 2HD LYS 62 1HD LYS 62 -11.274 13.194 -23.321 472 1HE LYS 62 2HE LYS 62 -10.289 15.936 -24.055 473 2HE LYS 62 1HE LYS 62 -12.015 15.667 -23.813 474 1HZ LYS 62 1HZ LYS 62 -9.932 15.849 -21.883 475 2HZ LYS 62 2HZ LYS 62 -10.790 14.392 -21.717 476 3HZ LYS 62 3HZ LYS 62 -11.613 15.877 -21.656 477 H MET 63 H MET 63 -7.197 13.508 -20.594 478 HA MET 63 HA MET 63 -6.197 16.084 -20.238 479 1HB MET 63 2HB MET 63 -5.806 13.584 -18.581 480 2HB MET 63 1HB MET 63 -5.205 15.159 -18.058 481 1HG MET 63 2HG MET 63 -7.578 16.033 -18.446 482 2HG MET 63 1HG MET 63 -8.070 14.345 -18.575 483 1HE MET 63 1HE MET 63 -8.183 12.751 -17.053 484 2HE MET 63 2HE MET 63 -9.468 13.713 -16.324 485 3HE MET 63 3HE MET 63 -8.269 12.932 -15.295 486 H GLY 64 H GLY 64 -4.173 13.124 -20.116 487 1HA GLY 64 2HA GLY 64 -2.173 13.744 -21.874 488 2HA GLY 64 1HA GLY 64 -1.749 14.728 -20.474 489 H PHE 65 H PHE 65 -3.324 11.586 -20.238 490 HA PHE 65 HA PHE 65 -0.924 10.603 -18.771 491 1HB PHE 65 2HB PHE 65 -3.828 9.755 -18.778 492 2HB PHE 65 1HB PHE 65 -2.564 8.791 -18.015 493 HD1 PHE 65 HD1 PHE 65 -4.860 11.472 -17.568 494 HD2 PHE 65 HD2 PHE 65 -0.994 10.057 -16.339 495 HE1 PHE 65 HE1 PHE 65 -4.971 12.917 -15.558 496 HE2 PHE 65 HE2 PHE 65 -1.105 11.505 -14.327 497 HZ PHE 65 HZ PHE 65 -3.095 12.935 -13.937 498 H GLU 66 H GLU 66 -0.009 8.561 -19.319 499 HA GLU 66 HA GLU 66 -0.597 7.713 -22.109 500 1HB GLU 66 2HB GLU 66 1.785 7.669 -20.344 501 2HB GLU 66 1HB GLU 66 1.588 6.262 -21.390 502 1HG GLU 66 2HG GLU 66 2.892 7.954 -22.568 503 2HG GLU 66 1HG GLU 66 1.313 7.796 -23.339 504 H VAL 67 H VAL 67 -2.573 6.571 -21.453 505 HA VAL 67 HA VAL 67 -2.639 4.503 -19.502 506 HB VAL 67 HB VAL 67 -4.734 5.236 -20.337 507 1HG1 VAL 67 1HG1 VAL 67 -3.570 4.648 -23.071 508 2HG1 VAL 67 2HG1 VAL 67 -4.045 6.220 -22.428 509 3HG1 VAL 67 3HG1 VAL 67 -5.275 5.013 -22.801 510 1HG2 VAL 67 1HG2 VAL 67 -5.722 3.194 -20.605 511 2HG2 VAL 67 2HG2 VAL 67 -4.093 2.581 -20.322 512 3HG2 VAL 67 3HG2 VAL 67 -4.691 2.769 -21.971 513 H LEU 68 H LEU 68 -1.625 2.564 -19.493 514 HA LEU 68 HA LEU 68 -0.504 1.555 -22.065 515 1HB LEU 68 2HB LEU 68 0.674 1.851 -19.579 516 2HB LEU 68 1HB LEU 68 0.254 0.138 -19.607 517 HG LEU 68 HG LEU 68 1.765 1.573 -21.809 518 1HD1 LEU 68 1HD1 LEU 68 3.063 1.391 -19.696 519 2HD1 LEU 68 2HD1 LEU 68 3.733 0.375 -20.971 520 3HD1 LEU 68 3HD1 LEU 68 2.767 -0.347 -19.684 521 1HD2 LEU 68 1HD2 LEU 68 0.763 -1.222 -21.373 522 2HD2 LEU 68 2HD2 LEU 68 2.274 -0.990 -22.253 523 3HD2 LEU 68 3HD2 LEU 68 0.784 -0.263 -22.853 524 H GLU 69 H GLU 69 -1.020 -0.538 -22.779 525 HA GLU 69 HA GLU 69 -3.529 -1.597 -22.450 526 1HB GLU 69 2HB GLU 69 -1.046 -2.549 -23.492 527 2HB GLU 69 1HB GLU 69 -1.755 -3.846 -22.529 528 1HG GLU 69 2HG GLU 69 -2.662 -4.112 -24.718 529 2HG GLU 69 1HG GLU 69 -3.945 -3.370 -23.763 530 H ALA 70 H ALA 70 -4.263 -3.564 -21.215 531 HA ALA 70 HA ALA 70 -3.130 -3.491 -18.448 532 1HB ALA 70 1HB ALA 70 -5.406 -2.717 -18.430 533 2HB ALA 70 2HB ALA 70 -5.426 -4.362 -17.794 534 3HB ALA 70 3HB ALA 70 -5.932 -4.052 -19.455 535 H GLU 71 H GLU 71 -3.726 -5.683 -17.271 536 HA GLU 71 HA GLU 71 -3.300 -7.967 -19.144 537 1HB GLU 71 2HB GLU 71 -1.108 -7.309 -18.195 538 2HB GLU 71 1HB GLU 71 -1.767 -7.493 -16.569 539 1HG GLU 71 2HG GLU 71 -2.285 -9.852 -18.190 540 2HG GLU 71 1HG GLU 71 -0.559 -9.498 -18.105 541 H GLU 72 H GLU 72 -4.052 -10.008 -18.289 542 HA GLU 72 HA GLU 72 -6.364 -9.725 -16.543 543 1HB GLU 72 2HB GLU 72 -5.081 -12.309 -17.465 544 2HB GLU 72 1HB GLU 72 -6.759 -12.050 -16.983 545 1HG GLU 72 2HG GLU 72 -6.057 -10.211 -19.097 546 2HG GLU 72 1HG GLU 72 -5.682 -11.862 -19.591 547 H THR 73 H THR 73 -5.879 -9.322 -14.413 548 HA THR 73 HA THR 73 -4.025 -11.254 -13.080 549 HB THR 73 HB THR 73 -2.878 -9.135 -13.140 550 HG1 THR 73 HG1 THR 73 -2.510 -9.048 -11.050 551 1HG2 THR 73 1HG2 THR 73 -4.131 -7.150 -11.988 552 2HG2 THR 73 2HG2 THR 73 -5.586 -8.066 -12.385 553 3HG2 THR 73 3HG2 THR 73 -4.501 -7.533 -13.670 554 H GLU 74 H GLU 74 -4.727 -9.741 -10.530 555 HA GLU 74 HA GLU 74 -7.566 -10.022 -10.114 556 1HB GLU 74 2HB GLU 74 -7.688 -12.065 -8.928 557 2HB GLU 74 1HB GLU 74 -6.693 -12.451 -10.332 558 1HG GLU 74 2HG GLU 74 -4.685 -11.811 -8.808 559 2HG GLU 74 1HG GLU 74 -5.828 -12.010 -7.478 560 H ASP 75 H ASP 75 -8.046 -9.879 -7.679 561 HA ASP 75 HA ASP 75 -5.777 -8.780 -6.115 562 1HB ASP 75 2HB ASP 75 -8.365 -7.236 -6.320 563 2HB ASP 75 1HB ASP 75 -6.815 -6.693 -5.674 564 H GLU 76 H GLU 76 -8.540 -7.718 -4.685 565 HA GLU 76 HA GLU 76 -8.592 -10.078 -2.889 566 1HB GLU 76 2HB GLU 76 -9.235 -7.185 -2.623 567 2HB GLU 76 1HB GLU 76 -10.196 -8.301 -1.653 568 1HG GLU 76 2HG GLU 76 -8.294 -9.150 -0.531 569 2HG GLU 76 1HG GLU 76 -7.187 -8.491 -1.735 570 H ASP 77 H ASP 77 -10.030 -9.647 -5.632 571 HA ASP 77 HA ASP 77 -12.240 -11.296 -5.213 572 1HB ASP 77 2HB ASP 77 -12.709 -8.625 -4.218 573 2HB ASP 77 1HB ASP 77 -13.803 -8.963 -5.561 574 H GLY 78 H GLY 78 -10.232 -9.685 -7.125 575 1HA GLY 78 2HA GLY 78 -11.953 -9.053 -9.389 576 2HA GLY 78 1HA GLY 78 -10.189 -9.120 -9.419 577 H ASN 79 H ASN 79 -9.610 -11.666 -8.690 578 HA ASN 79 HA ASN 79 -9.499 -13.855 -9.518 579 1HB ASN 79 2HB ASN 79 -11.946 -13.746 -8.727 580 2HB ASN 79 1HB ASN 79 -12.359 -13.499 -10.425 581 1HD2 ASN 79 1HD2 ASN 79 -13.054 -15.882 -8.828 582 2HD2 ASN 79 2HD2 ASN 79 -12.289 -17.203 -9.572 583 H LYS 80 H LYS 80 -11.024 -11.461 -11.643 584 HA LYS 80 HA LYS 80 -9.221 -12.115 -13.802 585 1HB LYS 80 2HB LYS 80 -10.991 -14.007 -13.794 586 2HB LYS 80 1HB LYS 80 -12.103 -12.776 -14.393 587 1HG LYS 80 2HG LYS 80 -11.295 -13.549 -16.410 588 2HG LYS 80 1HG LYS 80 -10.086 -12.308 -16.080 589 1HD LYS 80 2HD LYS 80 -8.560 -13.948 -15.164 590 2HD LYS 80 1HD LYS 80 -9.787 -15.211 -15.264 591 1HE LYS 80 2HE LYS 80 -9.593 -15.412 -17.559 592 2HE LYS 80 1HE LYS 80 -9.087 -13.735 -17.769 593 1HZ LYS 80 1HZ LYS 80 -7.499 -16.084 -17.279 594 2HZ LYS 80 2HZ LYS 80 -7.101 -14.777 -16.270 595 3HZ LYS 80 3HZ LYS 80 -7.053 -14.596 -17.959 596 H LEU 81 H LEU 81 -9.175 -9.718 -13.205 597 HA LEU 81 HA LEU 81 -11.311 -8.270 -14.720 598 1HB LEU 81 2HB LEU 81 -10.398 -6.293 -13.208 599 2HB LEU 81 1HB LEU 81 -11.600 -7.420 -12.578 600 HG LEU 81 HG LEU 81 -9.736 -8.794 -11.626 601 1HD1 LEU 81 1HD1 LEU 81 -7.843 -8.273 -12.917 602 2HD1 LEU 81 2HD1 LEU 81 -7.538 -7.403 -11.413 603 3HD1 LEU 81 3HD1 LEU 81 -8.144 -6.538 -12.826 604 1HD2 LEU 81 1HD2 LEU 81 -9.852 -5.880 -10.785 605 2HD2 LEU 81 2HD2 LEU 81 -9.192 -7.185 -9.800 606 3HD2 LEU 81 3HD2 LEU 81 -10.908 -7.171 -10.211 607 H LEU 82 H LEU 82 -10.064 -5.805 -14.951 608 HA LEU 82 HA LEU 82 -7.592 -6.491 -16.492 609 1HB LEU 82 2HB LEU 82 -9.781 -4.491 -17.113 610 2HB LEU 82 1HB LEU 82 -8.236 -4.533 -17.962 611 HG LEU 82 HG LEU 82 -8.903 -7.136 -18.161 612 1HD1 LEU 82 1HD1 LEU 82 -11.575 -5.794 -18.501 613 2HD1 LEU 82 2HD1 LEU 82 -11.102 -6.439 -16.929 614 3HD1 LEU 82 3HD1 LEU 82 -11.213 -7.511 -18.326 615 1HD2 LEU 82 1HD2 LEU 82 -9.957 -4.920 -19.952 616 2HD2 LEU 82 2HD2 LEU 82 -9.718 -6.601 -20.428 617 3HD2 LEU 82 3HD2 LEU 82 -8.329 -5.597 -20.016 618 H CYS 83 H CYS 83 -5.823 -5.134 -16.220 619 HA CYS 83 HA CYS 83 -6.179 -2.797 -14.393 620 1HB CYS 83 2HB CYS 83 -5.127 -4.191 -12.886 621 2HB CYS 83 1HB CYS 83 -4.345 -5.139 -14.150 622 HG CYS 83 HG CYS 83 -3.214 -2.331 -14.084 623 H PHE 84 H PHE 84 -5.890 -1.173 -15.915 624 HA PHE 84 HA PHE 84 -3.692 -1.435 -17.880 625 1HB PHE 84 2HB PHE 84 -4.599 0.799 -18.690 626 2HB PHE 84 1HB PHE 84 -5.724 -0.553 -18.798 627 HD1 PHE 84 HD1 PHE 84 -7.345 -0.911 -16.804 628 HD2 PHE 84 HD2 PHE 84 -5.192 2.740 -17.506 629 HE1 PHE 84 HE1 PHE 84 -8.959 0.316 -15.375 630 HE2 PHE 84 HE2 PHE 84 -6.806 3.966 -16.078 631 HZ PHE 84 HZ PHE 84 -8.689 2.755 -15.012 632 H ASP 85 H ASP 85 -1.951 0.074 -17.979 633 HA ASP 85 HA ASP 85 -1.396 1.389 -15.360 634 1HB ASP 85 2HB ASP 85 0.703 1.123 -17.472 635 2HB ASP 85 1HB ASP 85 0.853 0.998 -15.719 636 H ALA 86 H ALA 86 -0.455 3.549 -15.395 637 HA ALA 86 HA ALA 86 -0.977 5.058 -17.919 638 1HB ALA 86 1HB ALA 86 -2.602 6.245 -16.912 639 2HB ALA 86 2HB ALA 86 -1.458 6.760 -15.673 640 3HB ALA 86 3HB ALA 86 -2.398 5.285 -15.447 641 H THR 87 H THR 87 0.711 6.365 -18.483 642 HA THR 87 HA THR 87 2.814 6.845 -16.408 643 HB THR 87 HB THR 87 4.015 7.234 -18.886 644 HG1 THR 87 HG1 THR 87 3.319 4.905 -19.604 645 1HG2 THR 87 1HG2 THR 87 5.261 5.244 -18.337 646 2HG2 THR 87 2HG2 THR 87 3.952 4.644 -17.321 647 3HG2 THR 87 3HG2 THR 87 4.874 6.062 -16.824 648 H MET 88 H MET 88 3.624 8.952 -16.226 649 HA MET 88 HA MET 88 2.704 11.008 -18.141 650 1HB MET 88 2HB MET 88 1.119 10.568 -15.983 651 2HB MET 88 1HB MET 88 2.259 11.726 -15.296 652 1HG MET 88 2HG MET 88 1.792 12.969 -17.622 653 2HG MET 88 1HG MET 88 0.266 12.096 -17.484 654 1HE MET 88 1HE MET 88 -1.678 14.637 -15.841 655 2HE MET 88 2HE MET 88 -1.549 13.161 -16.794 656 3HE MET 88 3HE MET 88 -0.873 14.664 -17.415 657 H GLN 89 H GLN 89 4.527 12.152 -18.573 658 HA GLN 89 HA GLN 89 6.850 12.059 -16.847 659 1HB GLN 89 2HB GLN 89 6.480 14.168 -18.959 660 2HB GLN 89 1HB GLN 89 7.943 13.294 -18.506 661 1HG GLN 89 2HG GLN 89 5.547 12.063 -19.900 662 2HG GLN 89 1HG GLN 89 7.051 12.530 -20.692 663 1HE2 GLN 89 1HE2 GLN 89 6.716 9.957 -21.086 664 2HE2 GLN 89 2HE2 GLN 89 7.562 8.977 -19.989 665 H SER 90 H SER 90 7.069 13.240 -15.004 666 HA SER 90 HA SER 90 5.993 16.011 -14.971 667 1HB SER 90 2HB SER 90 4.256 15.297 -13.699 668 2HB SER 90 1HB SER 90 5.015 13.738 -13.387 669 HG SER 90 HG SER 90 5.091 16.097 -11.943 670 H ALA 91 H ALA 91 7.275 17.422 -13.787 671 HA ALA 91 HA ALA 91 9.963 16.698 -13.199 672 1HB ALA 91 1HB ALA 91 8.372 19.015 -12.055 673 2HB ALA 91 2HB ALA 91 9.199 19.033 -13.613 674 3HB ALA 91 3HB ALA 91 10.131 18.892 -12.122 675 H LEU 92 H LEU 92 10.972 16.115 -11.258 676 HA LEU 92 HA LEU 92 9.480 14.633 -9.353 677 1HB LEU 92 2HB LEU 92 12.135 14.932 -9.881 678 2HB LEU 92 1HB LEU 92 11.998 15.857 -8.385 679 HG LEU 92 HG LEU 92 10.850 13.073 -8.674 680 1HD1 LEU 92 1HD1 LEU 92 12.890 12.158 -8.407 681 2HD1 LEU 92 2HD1 LEU 92 13.253 13.238 -7.061 682 3HD1 LEU 92 3HD1 LEU 92 13.582 13.750 -8.717 683 1HD2 LEU 92 1HD2 LEU 92 11.582 14.837 -6.314 684 2HD2 LEU 92 2HD2 LEU 92 11.019 13.170 -6.181 685 3HD2 LEU 92 3HD2 LEU 92 9.952 14.411 -6.838 686 H ASP 93 H ASP 93 7.918 15.545 -8.098 687 HA ASP 93 HA ASP 93 8.609 17.533 -6.121 688 1HB ASP 93 2HB ASP 93 7.622 18.469 -8.683 689 2HB ASP 93 1HB ASP 93 6.494 18.888 -7.393 690 H ALA 94 H ALA 94 7.259 17.171 -4.410 691 HA ALA 94 HA ALA 94 5.217 15.176 -4.521 692 1HB ALA 94 1HB ALA 94 6.412 15.795 -2.441 693 2HB ALA 94 2HB ALA 94 4.663 15.899 -2.236 694 3HB ALA 94 3HB ALA 94 5.613 17.367 -2.460 695 H LYS 95 H LYS 95 4.955 18.740 -4.279 696 HA LYS 95 HA LYS 95 2.154 18.947 -4.283 697 1HB LYS 95 2HB LYS 95 4.148 20.760 -4.291 698 2HB LYS 95 1HB LYS 95 3.644 20.893 -5.976 699 1HG LYS 95 2HG LYS 95 1.409 21.470 -5.365 700 2HG LYS 95 1HG LYS 95 1.671 20.999 -3.686 701 1HD LYS 95 2HD LYS 95 1.771 23.404 -3.773 702 2HD LYS 95 1HD LYS 95 3.420 22.820 -3.544 703 1HE LYS 95 2HE LYS 95 2.449 23.185 -6.345 704 2HE LYS 95 1HE LYS 95 2.844 24.630 -5.415 705 1HZ LYS 95 1HZ LYS 95 5.001 24.204 -5.588 706 2HZ LYS 95 2HZ LYS 95 4.612 23.009 -6.730 707 3HZ LYS 95 3HZ LYS 95 4.810 22.592 -5.095 708 H LEU 96 H LEU 96 4.329 18.190 -6.929 709 HA LEU 96 HA LEU 96 2.356 18.601 -9.020 710 1HB LEU 96 2HB LEU 96 5.064 18.289 -9.019 711 2HB LEU 96 1HB LEU 96 4.552 16.672 -9.502 712 HG LEU 96 HG LEU 96 4.871 18.110 -11.476 713 1HD1 LEU 96 1HD1 LEU 96 3.154 16.376 -11.597 714 2HD1 LEU 96 2HD1 LEU 96 2.603 17.809 -12.468 715 3HD1 LEU 96 3HD1 LEU 96 1.974 17.458 -10.858 716 1HD2 LEU 96 1HD2 LEU 96 3.906 20.124 -9.880 717 2HD2 LEU 96 2HD2 LEU 96 2.507 19.782 -10.896 718 3HD2 LEU 96 3HD2 LEU 96 4.046 20.228 -11.634 719 H ILE 97 H ILE 97 3.702 15.680 -7.450 720 HA ILE 97 HA ILE 97 1.969 13.841 -8.799 721 HB ILE 97 HB ILE 97 3.402 13.651 -6.135 722 1HG1 ILE 97 2HG1 ILE 97 4.083 12.184 -8.674 723 2HG1 ILE 97 1HG1 ILE 97 4.618 13.851 -8.451 724 1HG2 ILE 97 1HG2 ILE 97 3.054 11.111 -6.699 725 2HG2 ILE 97 2HG2 ILE 97 1.698 11.699 -7.662 726 3HG2 ILE 97 3HG2 ILE 97 1.748 12.009 -5.926 727 1HD1 ILE 97 1HD1 ILE 97 5.991 11.652 -7.552 728 2HD1 ILE 97 2HD1 ILE 97 5.075 12.109 -6.115 729 3HD1 ILE 97 3HD1 ILE 97 6.156 13.273 -6.880 730 H ASP 98 H ASP 98 1.542 15.859 -5.961 731 HA ASP 98 HA ASP 98 -0.758 14.495 -4.898 732 1HB ASP 98 2HB ASP 98 0.171 15.967 -3.357 733 2HB ASP 98 1HB ASP 98 0.458 17.215 -4.568 734 H GLU 99 H GLU 99 -0.469 17.394 -6.979 735 HA GLU 99 HA GLU 99 -3.251 17.817 -7.340 736 1HB GLU 99 2HB GLU 99 -0.968 18.360 -9.264 737 2HB GLU 99 1HB GLU 99 -2.594 19.028 -9.411 738 1HG GLU 99 2HG GLU 99 -1.505 19.439 -6.740 739 2HG GLU 99 1HG GLU 99 -0.470 20.149 -7.980 740 H GLN 100 H GLN 100 -0.968 15.919 -9.339 741 HA GLN 100 HA GLN 100 -2.936 15.031 -11.221 742 1HB GLN 100 2HB GLN 100 -0.165 14.272 -10.483 743 2HB GLN 100 1HB GLN 100 -1.121 13.010 -11.260 744 1HG GLN 100 2HG GLN 100 0.206 14.577 -12.811 745 2HG GLN 100 1HG GLN 100 -1.499 14.333 -13.195 746 1HE2 GLN 100 1HE2 GLN 100 -1.482 16.495 -14.269 747 2HE2 GLN 100 2HE2 GLN 100 -1.551 17.905 -13.326 748 H VAL 101 H VAL 101 -1.729 13.601 -8.189 749 HA VAL 101 HA VAL 101 -3.137 11.142 -8.345 750 HB VAL 101 HB VAL 101 -2.022 12.808 -6.124 751 1HG1 VAL 101 1HG1 VAL 101 -3.941 12.174 -4.948 752 2HG1 VAL 101 2HG1 VAL 101 -2.854 10.826 -4.614 753 3HG1 VAL 101 3HG1 VAL 101 -4.111 10.662 -5.841 754 1HG2 VAL 101 1HG2 VAL 101 -0.672 10.844 -5.766 755 2HG2 VAL 101 2HG2 VAL 101 -0.721 11.122 -7.507 756 3HG2 VAL 101 3HG2 VAL 101 -1.726 9.865 -6.786 757 H GLU 102 H GLU 102 -4.120 14.033 -6.459 758 HA GLU 102 HA GLU 102 -6.682 13.247 -5.743 759 1HB GLU 102 2HB GLU 102 -5.718 15.973 -6.645 760 2HB GLU 102 1HB GLU 102 -7.301 15.697 -5.919 761 1HG GLU 102 2HG GLU 102 -5.767 14.426 -4.102 762 2HG GLU 102 1HG GLU 102 -4.604 15.627 -4.666 763 H LYS 103 H LYS 103 -5.720 14.716 -8.852 764 HA LYS 103 HA LYS 103 -8.280 14.870 -10.030 765 1HB LYS 103 2HB LYS 103 -5.528 14.429 -11.187 766 2HB LYS 103 1HB LYS 103 -6.955 14.507 -12.221 767 1HG LYS 103 2HG LYS 103 -6.735 16.660 -10.198 768 2HG LYS 103 1HG LYS 103 -5.525 16.698 -11.482 769 1HD LYS 103 2HD LYS 103 -7.151 16.890 -13.177 770 2HD LYS 103 1HD LYS 103 -8.447 16.329 -12.119 771 1HE LYS 103 2HE LYS 103 -7.920 18.443 -10.707 772 2HE LYS 103 1HE LYS 103 -7.074 19.011 -12.146 773 1HZ LYS 103 1HZ LYS 103 -9.496 19.639 -11.933 774 2HZ LYS 103 2HZ LYS 103 -9.855 18.008 -12.248 775 3HZ LYS 103 3HZ LYS 103 -9.029 18.938 -13.406 776 H LEU 104 H LEU 104 -5.908 12.204 -10.390 777 HA LEU 104 HA LEU 104 -7.679 10.465 -11.791 778 1HB LEU 104 2HB LEU 104 -5.396 9.688 -9.953 779 2HB LEU 104 1HB LEU 104 -6.095 8.696 -11.234 780 HG LEU 104 HG LEU 104 -4.754 11.381 -11.665 781 1HD1 LEU 104 1HD1 LEU 104 -3.437 9.130 -11.001 782 2HD1 LEU 104 2HD1 LEU 104 -2.797 10.286 -12.170 783 3HD1 LEU 104 3HD1 LEU 104 -3.631 8.836 -12.730 784 1HD2 LEU 104 1HD2 LEU 104 -6.048 9.338 -13.469 785 2HD2 LEU 104 2HD2 LEU 104 -4.807 10.430 -14.084 786 3HD2 LEU 104 3HD2 LEU 104 -6.305 11.082 -13.421 787 H VAL 105 H VAL 105 -7.183 11.007 -8.332 788 HA VAL 105 HA VAL 105 -8.676 8.724 -7.433 789 HB VAL 105 HB VAL 105 -7.899 11.352 -6.182 790 1HG1 VAL 105 1HG1 VAL 105 -9.745 9.224 -5.079 791 2HG1 VAL 105 2HG1 VAL 105 -10.039 10.959 -5.193 792 3HG1 VAL 105 3HG1 VAL 105 -8.858 10.338 -4.040 793 1HG2 VAL 105 1HG2 VAL 105 -6.713 9.729 -4.640 794 2HG2 VAL 105 2HG2 VAL 105 -6.153 9.687 -6.312 795 3HG2 VAL 105 3HG2 VAL 105 -7.235 8.431 -5.712 796 H ASN 106 H ASN 106 -9.623 12.118 -8.016 797 HA ASN 106 HA ASN 106 -12.349 11.804 -7.212 798 1HB ASN 106 2HB ASN 106 -11.242 13.698 -9.306 799 2HB ASN 106 1HB ASN 106 -12.758 13.881 -8.422 800 1HD2 ASN 106 1HD2 ASN 106 -10.336 12.526 -6.430 801 2HD2 ASN 106 2HD2 ASN 106 -9.870 13.946 -5.626 802 H LEU 107 H LEU 107 -10.965 11.853 -10.521 803 HA LEU 107 HA LEU 107 -13.354 11.118 -11.860 804 1HB LEU 107 2HB LEU 107 -11.286 11.951 -12.983 805 2HB LEU 107 1HB LEU 107 -10.520 10.395 -12.658 806 HG LEU 107 HG LEU 107 -12.657 9.416 -13.834 807 1HD1 LEU 107 1HD1 LEU 107 -13.928 11.447 -14.064 808 2HD1 LEU 107 2HD1 LEU 107 -13.379 11.004 -15.680 809 3HD1 LEU 107 3HD1 LEU 107 -12.560 12.289 -14.793 810 1HD2 LEU 107 1HD2 LEU 107 -10.639 8.972 -14.910 811 2HD2 LEU 107 2HD2 LEU 107 -10.215 10.679 -15.039 812 3HD2 LEU 107 3HD2 LEU 107 -11.435 9.990 -16.110 813 H ALA 108 H ALA 108 -10.703 9.042 -10.652 814 HA ALA 108 HA ALA 108 -11.619 6.549 -11.501 815 1HB ALA 108 1HB ALA 108 -10.599 5.660 -9.351 816 2HB ALA 108 2HB ALA 108 -10.331 7.337 -8.876 817 3HB ALA 108 3HB ALA 108 -9.535 6.689 -10.311 818 H GLU 109 H GLU 109 -12.655 8.343 -8.591 819 HA GLU 109 HA GLU 109 -14.614 6.303 -7.875 820 1HB GLU 109 2HB GLU 109 -13.384 8.237 -6.445 821 2HB GLU 109 1HB GLU 109 -14.893 9.068 -6.818 822 1HG GLU 109 2HG GLU 109 -14.525 6.448 -5.360 823 2HG GLU 109 1HG GLU 109 -15.306 7.917 -4.775 824 H LYS 110 H LYS 110 -14.574 9.179 -9.850 825 HA LYS 110 HA LYS 110 -17.377 9.736 -9.875 826 1HB LYS 110 2HB LYS 110 -15.382 11.097 -10.869 827 2HB LYS 110 1HB LYS 110 -15.637 10.103 -12.304 828 1HG LYS 110 2HG LYS 110 -18.116 10.770 -12.118 829 2HG LYS 110 1HG LYS 110 -17.571 12.016 -10.994 830 1HD LYS 110 2HD LYS 110 -16.099 12.965 -12.689 831 2HD LYS 110 1HD LYS 110 -16.506 11.665 -13.810 832 1HE LYS 110 2HE LYS 110 -17.822 14.116 -13.592 833 2HE LYS 110 1HE LYS 110 -18.416 12.689 -14.442 834 1HZ LYS 110 1HZ LYS 110 -18.874 13.298 -11.571 835 2HZ LYS 110 2HZ LYS 110 -19.464 11.942 -12.408 836 3HZ LYS 110 3HZ LYS 110 -20.014 13.497 -12.812 837 H PHE 111 H PHE 111 -15.419 7.371 -11.610 838 HA PHE 111 HA PHE 111 -17.810 6.543 -13.173 839 1HB PHE 111 2HB PHE 111 -14.872 6.228 -13.482 840 2HB PHE 111 1HB PHE 111 -15.861 4.871 -14.023 841 HD1 PHE 111 HD1 PHE 111 -18.018 5.560 -15.419 842 HD2 PHE 111 HD2 PHE 111 -14.499 7.982 -14.975 843 HE1 PHE 111 HE1 PHE 111 -18.620 6.811 -17.474 844 HE2 PHE 111 HE2 PHE 111 -15.099 9.232 -17.032 845 HZ PHE 111 HZ PHE 111 -17.160 8.646 -18.281 846 H ASP 112 H ASP 112 -15.173 4.563 -11.815 847 HA ASP 112 HA ASP 112 -16.472 3.335 -9.689 848 1HB ASP 112 2HB ASP 112 -17.606 2.541 -12.280 849 2HB ASP 112 1HB ASP 112 -17.091 1.172 -11.294 850 H ILE 113 H ILE 113 -13.813 3.871 -10.724 851 HA ILE 113 HA ILE 113 -12.726 1.082 -10.761 852 HB ILE 113 HB ILE 113 -10.750 2.040 -11.940 853 1HG1 ILE 113 2HG1 ILE 113 -12.465 4.544 -12.014 854 2HG1 ILE 113 1HG1 ILE 113 -10.966 4.352 -11.104 855 1HG2 ILE 113 1HG2 ILE 113 -13.089 2.919 -13.571 856 2HG2 ILE 113 2HG2 ILE 113 -13.072 1.246 -13.017 857 3HG2 ILE 113 3HG2 ILE 113 -11.748 1.859 -14.008 858 1HD1 ILE 113 1HD1 ILE 113 -9.796 3.847 -13.274 859 2HD1 ILE 113 2HD1 ILE 113 -10.438 5.487 -13.177 860 3HD1 ILE 113 3HD1 ILE 113 -11.289 4.260 -14.116 861 H ILE 114 H ILE 114 -11.213 0.583 -9.202 862 HA ILE 114 HA ILE 114 -10.820 2.563 -7.058 863 HB ILE 114 HB ILE 114 -11.261 0.426 -6.190 864 1HG1 ILE 114 2HG1 ILE 114 -9.223 -0.261 -5.075 865 2HG1 ILE 114 1HG1 ILE 114 -8.231 0.480 -6.331 866 1HG2 ILE 114 1HG2 ILE 114 -9.755 -1.544 -7.082 867 2HG2 ILE 114 2HG2 ILE 114 -9.560 -0.496 -8.486 868 3HG2 ILE 114 3HG2 ILE 114 -11.169 -1.034 -8.005 869 1HD1 ILE 114 1HD1 ILE 114 -10.201 2.246 -4.970 870 2HD1 ILE 114 2HD1 ILE 114 -8.572 2.608 -5.538 871 3HD1 ILE 114 3HD1 ILE 114 -8.805 1.738 -4.022 872 H TYR 115 H TYR 115 -9.172 3.992 -7.283 873 HA TYR 115 HA TYR 115 -6.743 3.157 -8.786 874 1HB TYR 115 2HB TYR 115 -7.465 5.225 -9.626 875 2HB TYR 115 1HB TYR 115 -7.946 5.812 -8.034 876 HD1 TYR 115 HD1 TYR 115 -6.664 7.785 -7.779 877 HD2 TYR 115 HD2 TYR 115 -4.755 4.136 -8.999 878 HE1 TYR 115 HE1 TYR 115 -4.443 8.853 -7.498 879 HE2 TYR 115 HE2 TYR 115 -2.534 5.204 -8.717 880 HH TYR 115 HH TYR 115 -1.805 7.976 -8.796 881 H ASP 116 H ASP 116 -5.423 2.077 -7.342 882 HA ASP 116 HA ASP 116 -4.357 3.654 -5.090 883 1HB ASP 116 2HB ASP 116 -6.392 2.242 -4.314 884 2HB ASP 116 1HB ASP 116 -5.322 0.855 -4.524 885 H GLY 117 H GLY 117 -2.407 3.568 -6.343 886 1HA GLY 117 2HA GLY 117 -0.499 1.681 -5.694 887 2HA GLY 117 1HA GLY 117 -1.261 1.008 -7.137 888 H TRP 118 H TRP 118 0.265 4.005 -5.937 889 HA TRP 118 HA TRP 118 1.043 4.604 -8.756 890 1HB TRP 118 2HB TRP 118 0.944 6.861 -8.262 891 2HB TRP 118 1HB TRP 118 -0.267 6.262 -7.131 892 HD1 TRP 118 HD1 TRP 118 0.434 6.060 -4.558 893 HE1 TRP 118 HE1 TRP 118 2.276 7.243 -3.196 894 HE3 TRP 118 HE3 TRP 118 3.334 7.845 -8.363 895 HZ2 TRP 118 HZ2 TRP 118 4.664 8.747 -3.661 896 HZ3 TRP 118 HZ3 TRP 118 5.384 9.148 -7.876 897 HH2 TRP 118 HH2 TRP 118 6.054 9.600 -5.532 898 H GLY 119 H GLY 119 3.174 4.434 -9.284 899 1HA GLY 119 2HA GLY 119 5.211 4.662 -7.135 900 2HA GLY 119 1HA GLY 119 5.188 3.181 -8.095 901 H THR 120 H THR 120 7.180 5.485 -7.899 902 HA THR 120 HA THR 120 7.130 6.420 -10.725 903 HB THR 120 HB THR 120 7.490 8.210 -9.161 904 HG1 THR 120 HG1 THR 120 9.194 8.972 -10.153 905 1HG2 THR 120 1HG2 THR 120 9.975 7.385 -7.948 906 2HG2 THR 120 2HG2 THR 120 8.721 6.190 -7.621 907 3HG2 THR 120 3HG2 THR 120 8.471 7.875 -7.168 908 H TYR 121 H TYR 121 9.553 6.606 -11.591 909 HA TYR 121 HA TYR 121 11.011 4.091 -10.925 910 1HB TYR 121 2HB TYR 121 10.061 3.337 -12.889 911 2HB TYR 121 1HB TYR 121 9.885 4.960 -13.552 912 HD1 TYR 121 HD1 TYR 121 11.263 5.503 -15.341 913 HD2 TYR 121 HD2 TYR 121 12.656 2.692 -12.409 914 HE1 TYR 121 HE1 TYR 121 13.366 5.212 -16.620 915 HE2 TYR 121 HE2 TYR 121 14.761 2.401 -13.688 916 HH TYR 121 HH TYR 121 15.280 4.098 -16.780 917 H TYR 122 H TYR 122 13.177 4.442 -10.679 918 HA TYR 122 HA TYR 122 14.302 7.028 -10.622 919 1HB TYR 122 2HB TYR 122 15.170 4.522 -9.929 920 2HB TYR 122 1HB TYR 122 16.193 4.874 -11.322 921 HD1 TYR 122 HD1 TYR 122 15.627 5.500 -7.831 922 HD2 TYR 122 HD2 TYR 122 17.413 7.142 -11.376 923 HE1 TYR 122 HE1 TYR 122 17.016 7.005 -6.434 924 HE2 TYR 122 HE2 TYR 122 18.802 8.648 -9.978 925 HH TYR 122 HH TYR 122 18.186 9.250 -6.758 926 H GLU 123 H GLU 123 15.682 8.140 -12.102 927 HA GLU 123 HA GLU 123 14.975 7.753 -14.901 928 1HB GLU 123 2HB GLU 123 15.432 9.988 -13.721 929 2HB GLU 123 1HB GLU 123 17.143 9.574 -13.837 930 1HG GLU 123 2HG GLU 123 15.969 9.091 -16.393 931 2HG GLU 123 1HG GLU 123 15.447 10.689 -15.860 932 H GLY 124 H GLY 124 16.267 5.451 -13.914 933 1HA GLY 124 2HA GLY 124 17.803 4.191 -15.468 934 2HA GLY 124 1HA GLY 124 18.884 5.583 -15.363 935 H LEU 125 H LEU 125 20.041 3.259 -14.700 936 HA LEU 125 HA LEU 125 20.184 3.387 -11.716 937 1HB LEU 125 2HB LEU 125 20.468 0.870 -13.382 938 2HB LEU 125 1HB LEU 125 20.474 0.979 -11.621 939 HG LEU 125 HG LEU 125 18.127 1.961 -13.248 940 1HD1 LEU 125 1HD1 LEU 125 17.980 -0.698 -11.921 941 2HD1 LEU 125 2HD1 LEU 125 18.896 -0.627 -13.427 942 3HD1 LEU 125 3HD1 LEU 125 17.203 -0.134 -13.399 943 1HD2 LEU 125 1HD2 LEU 125 16.969 1.452 -11.065 944 2HD2 LEU 125 2HD2 LEU 125 18.193 2.715 -10.948 945 3HD2 LEU 125 3HD2 LEU 125 18.550 1.086 -10.376 946 H GLU 126 H GLU 126 22.290 3.213 -10.862 947 HA GLU 126 HA GLU 126 24.501 2.995 -12.861 948 1HB GLU 126 2HB GLU 126 24.420 4.938 -10.534 949 2HB GLU 126 1HB GLU 126 25.687 4.807 -11.753 950 1HG GLU 126 2HG GLU 126 23.342 5.101 -13.239 951 2HG GLU 126 1HG GLU 126 23.141 6.217 -11.888 952 H HIS 127 H HIS 127 24.486 0.728 -11.973 953 HA HIS 127 HA HIS 127 26.452 0.499 -9.832 954 1HB HIS 127 2HB HIS 127 23.758 -0.786 -9.334 955 2HB HIS 127 1HB HIS 127 25.122 -0.668 -8.224 956 HD2 HIS 127 HD2 HIS 127 25.094 1.619 -6.641 957 HE1 HIS 127 HE1 HIS 127 22.092 3.723 -8.737 958 HE2 HIS 127 HE2 HIS 127 23.589 3.748 -6.691 959 H HIS 128 H HIS 128 24.819 -0.642 -12.540 960 HA HIS 128 HA HIS 128 25.475 -3.475 -12.193 961 1HB HIS 128 2HB HIS 128 23.985 -1.840 -14.096 962 2HB HIS 128 1HB HIS 128 25.002 -3.032 -14.908 963 HD2 HIS 128 HD2 HIS 128 23.669 -5.431 -15.126 964 HE1 HIS 128 HE1 HIS 128 21.247 -5.111 -11.681 965 HE2 HIS 128 HE2 HIS 128 21.823 -6.567 -13.676 966 H HIS 129 H HIS 129 26.937 -4.591 -13.749 967 HA HIS 129 HA HIS 129 29.117 -2.836 -14.780 968 1HB HIS 129 2HB HIS 129 30.465 -5.082 -13.912 969 2HB HIS 129 1HB HIS 129 30.393 -3.548 -13.042 970 HD2 HIS 129 HD2 HIS 129 27.464 -6.237 -13.207 971 HE1 HIS 129 HE1 HIS 129 28.551 -5.627 -9.172 972 HE2 HIS 129 HE2 HIS 129 26.929 -6.814 -10.720 973 H HIS 130 H HIS 130 30.041 -3.596 -16.701 974 HA HIS 130 HA HIS 130 29.028 -6.221 -17.710 975 1HB HIS 130 2HB HIS 130 27.907 -4.079 -18.680 976 2HB HIS 130 1HB HIS 130 29.434 -3.858 -19.536 977 HD2 HIS 130 HD2 HIS 130 27.699 -7.394 -19.041 978 HE1 HIS 130 HE1 HIS 130 27.888 -6.533 -23.171 979 HE2 HIS 130 HE2 HIS 130 27.273 -8.293 -21.452 980 H HIS 131 H HIS 131 30.391 -6.861 -19.739 981 HA HIS 131 HA HIS 131 33.086 -5.807 -19.921 982 1HB HIS 131 2HB HIS 131 32.511 -8.098 -18.123 983 2HB HIS 131 1HB HIS 131 33.890 -8.296 -19.204 984 HD2 HIS 131 HD2 HIS 131 35.437 -5.547 -19.094 985 HE1 HIS 131 HE1 HIS 131 34.902 -5.549 -14.904 986 HE2 HIS 131 HE2 HIS 131 36.219 -4.536 -16.819 987 H HIS 132 HN HIS 132 32.454 -9.248 -20.151 988 HA HIS 132 HA HIS 132 33.371 -9.682 -22.705 989 1HB HIS 132 2HB HIS 132 31.187 -11.343 -22.705 990 2HB HIS 132 1HB HIS 132 32.713 -11.704 -21.896 991 HD2 HIS 132 HD2 HIS 132 29.630 -9.459 -20.685 992 HE1 HIS 132 HE1 HIS 132 30.771 -12.082 -17.577 993 HE2 HIS 132 HE2 HIS 132 29.179 -10.219 -18.231 Start of MODEL 14 1 1H MET 1 1H MET 1 -15.750 23.182 2.451 2 2H MET 1 2H MET 1 -15.506 21.843 1.435 3 3H MET 1 3H MET 1 -15.158 23.411 0.878 4 HA MET 1 HA MET 1 -13.254 21.846 1.693 5 1HB MET 1 2HB MET 1 -13.441 24.746 2.563 6 2HB MET 1 1HB MET 1 -11.963 23.836 2.255 7 1HG MET 1 2HG MET 1 -13.726 23.637 -0.024 8 2HG MET 1 1HG MET 1 -13.462 25.333 0.386 9 1HE MET 1 1HE MET 1 -11.112 24.863 -2.538 10 2HE MET 1 2HE MET 1 -12.790 25.057 -2.033 11 3HE MET 1 3HE MET 1 -12.161 23.448 -2.375 12 H SER 2 H SER 2 -15.472 23.356 3.960 13 HA SER 2 HA SER 2 -14.533 21.560 6.076 14 1HB SER 2 2HB SER 2 -14.349 23.716 7.609 15 2HB SER 2 1HB SER 2 -12.962 23.158 6.677 16 HG SER 2 HG SER 2 -13.339 24.718 5.184 17 H HIS 3 H HIS 3 -17.021 22.270 4.544 18 HA HIS 3 HA HIS 3 -18.757 22.743 6.927 19 1HB HIS 3 2HB HIS 3 -20.318 23.866 5.121 20 2HB HIS 3 1HB HIS 3 -19.018 24.801 5.863 21 HD2 HIS 3 HD2 HIS 3 -18.508 22.235 2.870 22 HE1 HIS 3 HE1 HIS 3 -17.326 26.084 1.596 23 HE2 HIS 3 HE2 HIS 3 -17.444 23.635 0.944 24 H GLN 4 H GLN 4 -18.002 20.221 5.763 25 HA GLN 4 HA GLN 4 -20.684 19.171 5.211 26 1HB GLN 4 2HB GLN 4 -19.293 19.961 3.004 27 2HB GLN 4 1HB GLN 4 -18.731 18.296 3.164 28 1HG GLN 4 2HG GLN 4 -21.571 19.280 2.846 29 2HG GLN 4 1HG GLN 4 -20.684 18.163 1.811 30 1HE2 GLN 4 1HE2 GLN 4 -20.260 15.961 2.685 31 2HE2 GLN 4 2HE2 GLN 4 -21.234 15.340 3.929 32 H ASP 5 H ASP 5 -20.790 16.926 5.649 33 HA ASP 5 HA ASP 5 -18.305 15.428 6.114 34 1HB ASP 5 2HB ASP 5 -18.542 16.610 8.241 35 2HB ASP 5 1HB ASP 5 -20.216 16.069 8.380 36 H ASP 6 H ASP 6 -18.697 13.393 5.408 37 HA ASP 6 HA ASP 6 -21.216 12.037 6.038 38 1HB ASP 6 2HB ASP 6 -21.925 13.238 4.047 39 2HB ASP 6 1HB ASP 6 -20.479 12.722 3.176 40 H TYR 7 H TYR 7 -19.657 10.622 7.089 41 HA TYR 7 HA TYR 7 -18.001 8.929 7.146 42 1HB TYR 7 2HB TYR 7 -20.263 8.060 5.945 43 2HB TYR 7 1HB TYR 7 -19.115 7.799 4.631 44 HD1 TYR 7 HD1 TYR 7 -16.753 6.787 5.500 45 HD2 TYR 7 HD2 TYR 7 -20.559 6.293 7.431 46 HE1 TYR 7 HE1 TYR 7 -15.911 4.752 6.638 47 HE2 TYR 7 HE2 TYR 7 -19.715 4.256 8.569 48 HH TYR 7 HH TYR 7 -17.624 3.244 9.210 49 H LEU 8 H LEU 8 -16.275 10.470 6.513 50 HA LEU 8 HA LEU 8 -15.511 10.912 3.798 51 1HB LEU 8 2HB LEU 8 -14.160 11.140 6.457 52 2HB LEU 8 1HB LEU 8 -13.153 11.172 5.009 53 HG LEU 8 HG LEU 8 -14.521 13.004 4.090 54 1HD1 LEU 8 1HD1 LEU 8 -16.153 14.105 5.705 55 2HD1 LEU 8 2HD1 LEU 8 -16.024 12.652 6.694 56 3HD1 LEU 8 3HD1 LEU 8 -16.670 12.549 5.056 57 1HD2 LEU 8 1HD2 LEU 8 -13.397 13.369 6.878 58 2HD2 LEU 8 2HD2 LEU 8 -13.949 14.726 5.895 59 3HD2 LEU 8 3HD2 LEU 8 -12.610 13.723 5.339 60 H SER 9 H SER 9 -13.488 10.017 2.791 61 HA SER 9 HA SER 9 -12.371 7.518 3.667 62 1HB SER 9 2HB SER 9 -14.152 7.196 1.259 63 2HB SER 9 1HB SER 9 -13.439 5.948 2.275 64 HG SER 9 HG SER 9 -14.941 6.296 3.779 65 H VAL 10 H VAL 10 -13.297 9.208 0.645 66 HA VAL 10 HA VAL 10 -10.991 8.505 -0.845 67 HB VAL 10 HB VAL 10 -12.121 11.244 -1.199 68 1HG1 VAL 10 1HG1 VAL 10 -10.564 10.361 -2.841 69 2HG1 VAL 10 2HG1 VAL 10 -12.166 10.429 -3.573 70 3HG1 VAL 10 3HG1 VAL 10 -11.519 8.888 -3.011 71 1HG2 VAL 10 1HG2 VAL 10 -13.696 8.672 -1.504 72 2HG2 VAL 10 2HG2 VAL 10 -14.140 10.173 -2.317 73 3HG2 VAL 10 3HG2 VAL 10 -14.135 10.093 -0.555 74 H GLU 11 H GLU 11 -11.454 10.861 1.693 75 HA GLU 11 HA GLU 11 -9.050 12.385 1.155 76 1HB GLU 11 2HB GLU 11 -11.228 12.648 2.864 77 2HB GLU 11 1HB GLU 11 -9.887 12.308 3.959 78 1HG GLU 11 2HG GLU 11 -8.576 14.121 2.937 79 2HG GLU 11 1HG GLU 11 -9.898 14.456 1.817 80 H GLU 12 H GLU 12 -9.718 9.347 2.676 81 HA GLU 12 HA GLU 12 -7.305 9.249 4.294 82 1HB GLU 12 2HB GLU 12 -9.103 7.022 3.285 83 2HB GLU 12 1HB GLU 12 -7.847 6.839 4.510 84 1HG GLU 12 2HG GLU 12 -9.575 9.062 5.180 85 2HG GLU 12 1HG GLU 12 -10.531 7.601 4.929 86 H LEU 13 H LEU 13 -8.269 7.820 1.166 87 HA LEU 13 HA LEU 13 -5.778 6.546 0.621 88 1HB LEU 13 2HB LEU 13 -7.569 7.740 -1.500 89 2HB LEU 13 1HB LEU 13 -6.568 6.292 -1.605 90 HG LEU 13 HG LEU 13 -9.126 6.676 -0.042 91 1HD1 LEU 13 1HD1 LEU 13 -9.180 5.944 -2.455 92 2HD1 LEU 13 2HD1 LEU 13 -9.876 4.773 -1.334 93 3HD1 LEU 13 3HD1 LEU 13 -8.256 4.517 -1.984 94 1HD2 LEU 13 1HD2 LEU 13 -7.041 4.485 0.201 95 2HD2 LEU 13 2HD2 LEU 13 -8.676 4.368 0.850 96 3HD2 LEU 13 3HD2 LEU 13 -7.566 5.588 1.472 97 H ILE 14 H ILE 14 -6.980 9.786 -0.282 98 HA ILE 14 HA ILE 14 -4.659 10.590 -1.734 99 HB ILE 14 HB ILE 14 -6.736 12.172 -0.204 100 1HG1 ILE 14 2HG1 ILE 14 -6.252 11.962 -3.185 101 2HG1 ILE 14 1HG1 ILE 14 -7.319 10.856 -2.321 102 1HG2 ILE 14 1HG2 ILE 14 -5.274 13.898 -0.297 103 2HG2 ILE 14 2HG2 ILE 14 -5.551 13.883 -2.039 104 3HG2 ILE 14 3HG2 ILE 14 -4.178 13.012 -1.357 105 1HD1 ILE 14 1HD1 ILE 14 -8.873 12.457 -2.886 106 2HD1 ILE 14 2HD1 ILE 14 -7.679 13.753 -2.923 107 3HD1 ILE 14 3HD1 ILE 14 -8.298 13.169 -1.379 108 H GLU 15 H GLU 15 -5.570 11.315 1.657 109 HA GLU 15 HA GLU 15 -3.221 12.650 2.419 110 1HB GLU 15 2HB GLU 15 -5.232 10.976 3.872 111 2HB GLU 15 1HB GLU 15 -3.747 11.417 4.718 112 1HG GLU 15 2HG GLU 15 -4.169 13.800 4.205 113 2HG GLU 15 1HG GLU 15 -5.667 13.353 3.389 114 H ILE 16 H ILE 16 -3.878 9.145 2.779 115 HA ILE 16 HA ILE 16 -1.411 8.314 3.760 116 HB ILE 16 HB ILE 16 -3.348 7.023 1.848 117 1HG1 ILE 16 2HG1 ILE 16 -2.425 6.283 4.643 118 2HG1 ILE 16 1HG1 ILE 16 -3.845 7.273 4.304 119 1HG2 ILE 16 1HG2 ILE 16 -1.855 4.920 2.473 120 2HG2 ILE 16 2HG2 ILE 16 -0.587 6.138 2.603 121 3HG2 ILE 16 3HG2 ILE 16 -1.453 5.926 1.081 122 1HD1 ILE 16 1HD1 ILE 16 -3.516 4.373 4.106 123 2HD1 ILE 16 2HD1 ILE 16 -4.189 5.081 2.637 124 3HD1 ILE 16 3HD1 ILE 16 -4.995 5.331 4.185 125 H GLN 17 H GLN 17 -2.237 9.146 0.411 126 HA GLN 17 HA GLN 17 0.333 8.324 -0.655 127 1HB GLN 17 2HB GLN 17 -2.137 9.476 -1.667 128 2HB GLN 17 1HB GLN 17 -0.729 10.271 -2.371 129 1HG GLN 17 2HG GLN 17 -1.340 8.338 -3.739 130 2HG GLN 17 1HG GLN 17 0.207 8.034 -2.947 131 1HE2 GLN 17 1HE2 GLN 17 -3.307 7.565 -2.218 132 2HE2 GLN 17 2HE2 GLN 17 -3.101 6.032 -1.521 133 H LYS 18 H LYS 18 -1.014 11.358 0.572 134 HA LYS 18 HA LYS 18 1.065 13.101 -0.279 135 1HB LYS 18 2HB LYS 18 -0.912 13.127 1.979 136 2HB LYS 18 1HB LYS 18 0.380 14.328 1.955 137 1HG LYS 18 2HG LYS 18 -0.306 14.851 -0.436 138 2HG LYS 18 1HG LYS 18 -1.732 13.852 -0.159 139 1HD LYS 18 2HD LYS 18 -2.135 15.312 1.924 140 2HD LYS 18 1HD LYS 18 -0.955 16.421 1.226 141 1HE LYS 18 2HE LYS 18 -2.313 16.934 -0.599 142 2HE LYS 18 1HE LYS 18 -3.225 15.429 -0.472 143 1HZ LYS 18 1HZ LYS 18 -4.105 16.297 1.676 144 2HZ LYS 18 2HZ LYS 18 -4.608 17.169 0.308 145 3HZ LYS 18 3HZ LYS 18 -3.387 17.791 1.314 146 H GLU 19 H GLU 19 0.756 11.152 2.694 147 HA GLU 19 HA GLU 19 3.246 12.048 3.832 148 1HB GLU 19 2HB GLU 19 1.169 10.675 4.837 149 2HB GLU 19 1HB GLU 19 2.228 9.316 4.458 150 1HG GLU 19 2HG GLU 19 3.990 10.191 5.829 151 2HG GLU 19 1HG GLU 19 3.160 11.737 6.015 152 H GLU 20 H GLU 20 2.395 8.962 2.219 153 HA GLU 20 HA GLU 20 5.006 7.886 2.140 154 1HB GLU 20 2HB GLU 20 2.677 6.883 1.419 155 2HB GLU 20 1HB GLU 20 3.136 7.485 -0.174 156 1HG GLU 20 2HG GLU 20 4.160 5.442 -0.325 157 2HG GLU 20 1HG GLU 20 5.451 6.282 0.535 158 H THR 21 H THR 21 3.528 10.373 0.160 159 HA THR 21 HA THR 21 5.434 10.284 -1.995 160 HB THR 21 HB THR 21 3.819 12.650 -0.997 161 HG1 THR 21 HG1 THR 21 2.314 11.943 -2.514 162 1HG2 THR 21 1HG2 THR 21 5.486 12.095 -3.416 163 2HG2 THR 21 2HG2 THR 21 5.289 13.596 -2.510 164 3HG2 THR 21 3HG2 THR 21 4.022 13.059 -3.614 165 H ARG 22 H ARG 22 5.203 12.461 0.844 166 HA ARG 22 HA ARG 22 7.634 13.845 0.372 167 1HB ARG 22 2HB ARG 22 5.872 13.372 2.720 168 2HB ARG 22 1HB ARG 22 7.523 13.883 3.072 169 1HG ARG 22 2HG ARG 22 7.265 15.931 1.999 170 2HG ARG 22 1HG ARG 22 5.979 15.334 0.950 171 1HD ARG 22 2HD ARG 22 5.248 16.916 2.819 172 2HD ARG 22 1HD ARG 22 4.378 15.385 2.720 173 HE ARG 22 HE ARG 22 6.443 14.852 4.485 174 1HH1 ARG 22 1HH2 ARG 22 3.967 17.231 4.179 175 2HH1 ARG 22 2HH2 ARG 22 3.803 17.473 5.887 176 1HH2 ARG 22 2HH1 ARG 22 6.243 15.153 6.717 177 2HH2 ARG 22 1HH1 ARG 22 5.091 16.295 7.323 178 H ASP 23 H ASP 23 7.026 10.662 1.691 179 HA ASP 23 HA ASP 23 9.664 10.336 2.865 180 1HB ASP 23 2HB ASP 23 7.230 8.852 2.762 181 2HB ASP 23 1HB ASP 23 8.510 7.811 2.138 182 H ILE 24 H ILE 24 8.138 9.070 -0.121 183 HA ILE 24 HA ILE 24 10.504 7.845 -1.142 184 HB ILE 24 HB ILE 24 8.062 8.958 -2.550 185 1HG1 ILE 24 2HG1 ILE 24 8.882 6.084 -2.074 186 2HG1 ILE 24 1HG1 ILE 24 7.886 6.982 -0.928 187 1HG2 ILE 24 1HG2 ILE 24 10.322 7.243 -3.629 188 2HG2 ILE 24 2HG2 ILE 24 9.957 8.901 -4.110 189 3HG2 ILE 24 3HG2 ILE 24 8.824 7.603 -4.490 190 1HD1 ILE 24 1HD1 ILE 24 6.268 5.955 -2.264 191 2HD1 ILE 24 2HD1 ILE 24 7.232 6.122 -3.732 192 3HD1 ILE 24 3HD1 ILE 24 6.429 7.532 -3.039 193 H ILE 25 H ILE 25 9.045 11.010 -2.004 194 HA ILE 25 HA ILE 25 11.123 11.900 -3.693 195 HB ILE 25 HB ILE 25 9.067 13.266 -1.998 196 1HG1 ILE 25 2HG1 ILE 25 8.294 14.059 -4.128 197 2HG1 ILE 25 1HG1 ILE 25 9.809 13.616 -4.914 198 1HG2 ILE 25 1HG2 ILE 25 11.573 14.512 -3.088 199 2HG2 ILE 25 2HG2 ILE 25 10.736 14.838 -1.570 200 3HG2 ILE 25 3HG2 ILE 25 10.074 15.441 -3.090 201 1HD1 ILE 25 1HD1 ILE 25 7.742 12.030 -5.166 202 2HD1 ILE 25 2HD1 ILE 25 8.162 11.512 -3.532 203 3HD1 ILE 25 3HD1 ILE 25 9.326 11.325 -4.844 204 H GLN 26 H GLN 26 10.921 11.848 -0.173 205 HA GLN 26 HA GLN 26 13.221 13.520 0.301 206 1HB GLN 26 2HB GLN 26 11.957 13.300 2.227 207 2HB GLN 26 1HB GLN 26 11.581 11.606 1.912 208 1HG GLN 26 2HG GLN 26 13.175 11.979 3.838 209 2HG GLN 26 1HG GLN 26 13.795 10.915 2.574 210 1HE2 GLN 26 1HE2 GLN 26 15.912 11.404 2.010 211 2HE2 GLN 26 2HE2 GLN 26 16.605 12.952 2.057 212 H ALA 27 H ALA 27 12.864 9.956 0.525 213 HA ALA 27 HA ALA 27 15.580 9.338 0.888 214 1HB ALA 27 1HB ALA 27 14.624 7.301 0.947 215 2HB ALA 27 2HB ALA 27 14.537 7.335 -0.814 216 3HB ALA 27 3HB ALA 27 13.178 7.916 0.148 217 H LEU 28 H LEU 28 13.813 9.530 -2.224 218 HA LEU 28 HA LEU 28 16.049 9.046 -3.900 219 1HB LEU 28 2HB LEU 28 13.404 10.390 -4.238 220 2HB LEU 28 1HB LEU 28 14.623 10.661 -5.482 221 HG LEU 28 HG LEU 28 14.305 7.852 -4.591 222 1HD1 LEU 28 1HD1 LEU 28 12.128 9.425 -5.956 223 2HD1 LEU 28 2HD1 LEU 28 11.988 8.248 -4.650 224 3HD1 LEU 28 3HD1 LEU 28 12.336 7.705 -6.291 225 1HD2 LEU 28 1HD2 LEU 28 14.809 7.406 -6.870 226 2HD2 LEU 28 2HD2 LEU 28 15.786 8.819 -6.470 227 3HD2 LEU 28 3HD2 LEU 28 14.289 9.011 -7.382 228 H LEU 29 H LEU 29 14.729 12.159 -2.740 229 HA LEU 29 HA LEU 29 16.557 13.876 -4.016 230 1HB LEU 29 2HB LEU 29 14.955 14.012 -1.497 231 2HB LEU 29 1HB LEU 29 16.228 15.212 -1.724 232 HG LEU 29 HG LEU 29 14.069 14.612 -3.765 233 1HD1 LEU 29 1HD1 LEU 29 13.099 15.624 -1.749 234 2HD1 LEU 29 2HD1 LEU 29 13.127 16.800 -3.062 235 3HD1 LEU 29 3HD1 LEU 29 14.328 16.887 -1.774 236 1HD2 LEU 29 1HD2 LEU 29 16.517 16.253 -3.705 237 2HD2 LEU 29 2HD2 LEU 29 15.083 17.129 -4.239 238 3HD2 LEU 29 3HD2 LEU 29 15.591 15.668 -5.087 239 H GLU 30 H GLU 30 16.886 12.198 -0.883 240 HA GLU 30 HA GLU 30 19.513 13.248 -0.326 241 1HB GLU 30 2HB GLU 30 17.690 11.258 0.829 242 2HB GLU 30 1HB GLU 30 19.390 10.818 0.990 243 1HG GLU 30 2HG GLU 30 19.899 12.931 2.060 244 2HG GLU 30 1HG GLU 30 18.266 13.526 1.757 245 H ASP 31 H ASP 31 18.322 10.487 -2.151 246 HA ASP 31 HA ASP 31 20.762 9.024 -2.339 247 1HB ASP 31 2HB ASP 31 18.267 9.208 -3.991 248 2HB ASP 31 1HB ASP 31 19.667 8.374 -4.666 249 H GLY 32 H GLY 32 19.521 11.784 -4.183 250 1HA GLY 32 2HA GLY 32 21.391 13.328 -4.949 251 2HA GLY 32 1HA GLY 32 22.156 11.879 -5.600 252 H SER 33 H SER 33 18.737 11.913 -5.866 253 HA SER 33 HA SER 33 18.636 11.610 -8.638 254 1HB SER 33 2HB SER 33 16.741 11.586 -6.769 255 2HB SER 33 1HB SER 33 16.479 13.232 -7.339 256 HG SER 33 HG SER 33 16.806 11.655 -9.450 257 H ASP 34 H ASP 34 17.283 13.473 -9.982 258 HA ASP 34 HA ASP 34 18.610 16.096 -9.533 259 1HB ASP 34 2HB ASP 34 19.142 14.214 -11.739 260 2HB ASP 34 1HB ASP 34 18.771 15.857 -12.266 261 HA PRO 35 HA PRO 35 14.086 16.564 -10.322 262 1HB PRO 35 2HB PRO 35 14.791 19.225 -9.193 263 2HB PRO 35 1HB PRO 35 13.471 18.126 -8.753 264 1HG PRO 35 2HG PRO 35 15.630 18.444 -7.208 265 2HG PRO 35 1HG PRO 35 14.784 16.893 -7.344 266 1HD PRO 35 2HD PRO 35 17.404 17.717 -8.511 267 2HD PRO 35 1HD PRO 35 16.851 16.109 -7.994 268 H ASP 36 H ASP 36 16.884 18.305 -11.398 269 HA ASP 36 HA ASP 36 15.333 20.047 -13.209 270 1HB ASP 36 2HB ASP 36 17.727 20.658 -13.985 271 2HB ASP 36 1HB ASP 36 17.254 21.129 -12.352 272 H ALA 37 H ALA 37 15.777 16.908 -13.328 273 HA ALA 37 HA ALA 37 16.450 16.888 -16.245 274 1HB ALA 37 1HB ALA 37 17.700 15.482 -14.161 275 2HB ALA 37 2HB ALA 37 17.883 15.183 -15.889 276 3HB ALA 37 3HB ALA 37 16.675 14.291 -14.964 277 H LEU 38 H LEU 38 13.814 17.226 -14.831 278 HA LEU 38 HA LEU 38 11.620 16.415 -15.041 279 1HB LEU 38 2HB LEU 38 13.013 15.317 -17.477 280 2HB LEU 38 1HB LEU 38 11.324 14.924 -17.158 281 HG LEU 38 HG LEU 38 12.343 17.771 -17.162 282 1HD1 LEU 38 1HD1 LEU 38 11.181 16.162 -19.455 283 2HD1 LEU 38 2HD1 LEU 38 12.804 16.844 -19.371 284 3HD1 LEU 38 3HD1 LEU 38 11.404 17.911 -19.471 285 1HD2 LEU 38 1HD2 LEU 38 10.250 17.952 -16.258 286 2HD2 LEU 38 2HD2 LEU 38 9.733 16.389 -16.887 287 3HD2 LEU 38 3HD2 LEU 38 9.731 17.805 -17.937 288 H TYR 39 H TYR 39 10.307 14.413 -14.821 289 HA TYR 39 HA TYR 39 11.878 11.988 -14.120 290 1HB TYR 39 2HB TYR 39 10.829 13.763 -12.188 291 2HB TYR 39 1HB TYR 39 9.743 12.373 -12.204 292 HD1 TYR 39 HD1 TYR 39 13.344 13.339 -11.977 293 HD2 TYR 39 HD2 TYR 39 10.386 10.316 -11.228 294 HE1 TYR 39 HE1 TYR 39 15.018 12.014 -10.713 295 HE2 TYR 39 HE2 TYR 39 12.060 8.991 -9.965 296 HH TYR 39 HH TYR 39 15.305 9.477 -10.146 297 H GLU 40 H GLU 40 10.250 10.122 -13.649 298 HA GLU 40 HA GLU 40 7.895 10.436 -15.469 299 1HB GLU 40 2HB GLU 40 10.059 8.854 -15.985 300 2HB GLU 40 1HB GLU 40 9.015 7.720 -15.127 301 1HG GLU 40 2HG GLU 40 7.137 8.461 -16.675 302 2HG GLU 40 1HG GLU 40 8.365 9.298 -17.625 303 H ILE 41 H ILE 41 5.967 9.947 -14.535 304 HA ILE 41 HA ILE 41 6.015 8.331 -12.017 305 HB ILE 41 HB ILE 41 4.314 10.733 -12.738 306 1HG1 ILE 41 2HG1 ILE 41 5.277 11.530 -10.527 307 2HG1 ILE 41 1HG1 ILE 41 6.351 10.130 -10.576 308 1HG2 ILE 41 1HG2 ILE 41 4.050 8.706 -10.505 309 2HG2 ILE 41 2HG2 ILE 41 2.825 9.182 -11.682 310 3HG2 ILE 41 3HG2 ILE 41 3.325 10.312 -10.424 311 1HD1 ILE 41 1HD1 ILE 41 6.326 11.603 -13.101 312 2HD1 ILE 41 2HD1 ILE 41 7.696 11.094 -12.114 313 3HD1 ILE 41 3HD1 ILE 41 6.854 12.600 -11.746 314 H GLU 42 H GLU 42 4.744 6.528 -12.090 315 HA GLU 42 HA GLU 42 2.749 6.355 -14.314 316 1HB GLU 42 2HB GLU 42 3.104 3.860 -14.115 317 2HB GLU 42 1HB GLU 42 4.517 4.752 -14.683 318 1HG GLU 42 2HG GLU 42 5.537 4.679 -12.504 319 2HG GLU 42 1HG GLU 42 4.064 4.039 -11.775 320 H HIS 43 H HIS 43 0.696 5.505 -13.807 321 HA HIS 43 HA HIS 43 0.173 5.116 -10.887 322 1HB HIS 43 2HB HIS 43 -1.924 6.123 -12.794 323 2HB HIS 43 1HB HIS 43 -1.824 6.331 -11.045 324 HD2 HIS 43 HD2 HIS 43 0.581 7.503 -14.023 325 HE1 HIS 43 HE1 HIS 43 0.187 10.630 -11.211 326 HE2 HIS 43 HE2 HIS 43 1.268 9.941 -13.401 327 H HIS 44 H HIS 44 -1.500 3.560 -10.382 328 HA HIS 44 HA HIS 44 -2.064 1.662 -12.627 329 1HB HIS 44 2HB HIS 44 -0.585 1.155 -10.324 330 2HB HIS 44 1HB HIS 44 -2.178 0.503 -9.943 331 HD2 HIS 44 HD2 HIS 44 0.631 -0.034 -12.693 332 HE1 HIS 44 HE1 HIS 44 -1.987 -3.349 -12.754 333 HE2 HIS 44 HE2 HIS 44 0.163 -2.394 -13.703 334 H LEU 45 H LEU 45 -4.203 1.095 -12.890 335 HA LEU 45 HA LEU 45 -6.114 1.664 -10.692 336 1HB LEU 45 2HB LEU 45 -6.633 2.653 -13.503 337 2HB LEU 45 1HB LEU 45 -7.545 3.022 -12.040 338 HG LEU 45 HG LEU 45 -5.309 4.014 -11.162 339 1HD1 LEU 45 1HD1 LEU 45 -4.479 3.077 -13.697 340 2HD1 LEU 45 2HD1 LEU 45 -3.549 4.061 -12.567 341 3HD1 LEU 45 3HD1 LEU 45 -4.519 4.836 -13.819 342 1HD2 LEU 45 1HD2 LEU 45 -7.297 5.356 -11.735 343 2HD2 LEU 45 2HD2 LEU 45 -6.825 5.339 -13.433 344 3HD2 LEU 45 3HD2 LEU 45 -5.824 6.179 -12.249 345 H PHE 46 H PHE 46 -7.980 0.352 -10.793 346 HA PHE 46 HA PHE 46 -8.019 -1.635 -13.025 347 1HB PHE 46 2HB PHE 46 -9.185 -2.750 -10.657 348 2HB PHE 46 1HB PHE 46 -7.764 -3.305 -11.541 349 HD1 PHE 46 HD1 PHE 46 -8.844 -2.257 -8.415 350 HD2 PHE 46 HD2 PHE 46 -5.642 -1.610 -11.204 351 HE1 PHE 46 HE1 PHE 46 -7.388 -1.480 -6.564 352 HE2 PHE 46 HE2 PHE 46 -4.186 -0.833 -9.353 353 HZ PHE 46 HZ PHE 46 -5.059 -0.768 -7.032 354 H ALA 47 H ALA 47 -10.182 -2.591 -13.398 355 HA ALA 47 HA ALA 47 -12.435 -0.969 -12.337 356 1HB ALA 47 1HB ALA 47 -11.500 -0.138 -14.637 357 2HB ALA 47 2HB ALA 47 -13.242 -0.328 -14.440 358 3HB ALA 47 3HB ALA 47 -12.310 -1.566 -15.282 359 H GLU 48 H GLU 48 -14.568 -2.022 -13.439 360 HA GLU 48 HA GLU 48 -14.261 -4.960 -12.990 361 1HB GLU 48 2HB GLU 48 -16.179 -2.980 -12.078 362 2HB GLU 48 1HB GLU 48 -16.991 -4.304 -12.916 363 1HG GLU 48 2HG GLU 48 -14.888 -4.791 -10.800 364 2HG GLU 48 1HG GLU 48 -16.600 -4.626 -10.404 365 H ASP 49 H ASP 49 -15.991 -2.588 -15.036 366 HA ASP 49 HA ASP 49 -16.586 -4.794 -16.947 367 1HB ASP 49 2HB ASP 49 -18.349 -3.079 -16.114 368 2HB ASP 49 1HB ASP 49 -17.554 -1.952 -17.213 369 H PHE 50 H PHE 50 -15.815 -4.742 -19.074 370 HA PHE 50 HA PHE 50 -13.327 -3.394 -19.540 371 1HB PHE 50 2HB PHE 50 -14.437 -4.054 -22.051 372 2HB PHE 50 1HB PHE 50 -13.284 -5.005 -21.118 373 HD1 PHE 50 HD1 PHE 50 -16.613 -4.867 -22.427 374 HD2 PHE 50 HD2 PHE 50 -14.241 -6.541 -19.261 375 HE1 PHE 50 HE1 PHE 50 -18.347 -6.599 -22.042 376 HE2 PHE 50 HE2 PHE 50 -15.974 -8.272 -18.877 377 HZ PHE 50 HZ PHE 50 -18.028 -8.301 -20.267 378 H ASP 51 H ASP 51 -16.672 -2.572 -20.230 379 HA ASP 51 HA ASP 51 -16.090 -0.418 -22.070 380 1HB ASP 51 2HB ASP 51 -18.525 -0.666 -20.288 381 2HB ASP 51 1HB ASP 51 -18.405 0.172 -21.835 382 H LYS 52 H LYS 52 -17.526 -0.091 -18.809 383 HA LYS 52 HA LYS 52 -17.003 2.562 -18.317 384 1HB LYS 52 2HB LYS 52 -18.080 1.042 -16.677 385 2HB LYS 52 1HB LYS 52 -16.509 0.319 -16.332 386 1HG LYS 52 2HG LYS 52 -16.497 1.892 -14.664 387 2HG LYS 52 1HG LYS 52 -15.880 2.916 -15.960 388 1HD LYS 52 2HD LYS 52 -17.693 4.104 -14.894 389 2HD LYS 52 1HD LYS 52 -18.263 3.563 -16.474 390 1HE LYS 52 2HE LYS 52 -18.777 1.457 -14.630 391 2HE LYS 52 1HE LYS 52 -19.345 2.952 -13.888 392 1HZ LYS 52 1HZ LYS 52 -20.102 3.089 -16.532 393 2HZ LYS 52 2HZ LYS 52 -21.110 2.806 -15.193 394 3HZ LYS 52 3HZ LYS 52 -20.451 1.499 -16.057 395 H LEU 53 H LEU 53 -14.655 -0.077 -18.266 396 HA LEU 53 HA LEU 53 -12.464 1.444 -17.196 397 1HB LEU 53 2HB LEU 53 -12.717 -1.133 -17.539 398 2HB LEU 53 1HB LEU 53 -12.103 -0.810 -19.160 399 HG LEU 53 HG LEU 53 -10.701 0.172 -16.667 400 1HD1 LEU 53 1HD1 LEU 53 -11.012 -2.498 -17.338 401 2HD1 LEU 53 2HD1 LEU 53 -9.696 -1.836 -16.369 402 3HD1 LEU 53 3HD1 LEU 53 -9.480 -2.076 -18.102 403 1HD2 LEU 53 1HD2 LEU 53 -9.967 1.371 -18.580 404 2HD2 LEU 53 2HD2 LEU 53 -10.021 -0.065 -19.602 405 3HD2 LEU 53 3HD2 LEU 53 -8.763 0.098 -18.376 406 H GLU 54 H GLU 54 -13.252 0.542 -20.577 407 HA GLU 54 HA GLU 54 -11.195 2.030 -21.820 408 1HB GLU 54 2HB GLU 54 -12.680 0.416 -23.003 409 2HB GLU 54 1HB GLU 54 -14.005 1.574 -22.871 410 1HG GLU 54 2HG GLU 54 -13.040 3.058 -24.381 411 2HG GLU 54 1HG GLU 54 -11.407 2.470 -24.073 412 H LYS 55 H LYS 55 -14.166 3.098 -20.338 413 HA LYS 55 HA LYS 55 -14.176 5.716 -21.619 414 1HB LYS 55 2HB LYS 55 -15.565 4.768 -19.093 415 2HB LYS 55 1HB LYS 55 -15.918 6.260 -19.966 416 1HG LYS 55 2HG LYS 55 -16.187 3.456 -21.090 417 2HG LYS 55 1HG LYS 55 -17.522 4.490 -20.581 418 1HD LYS 55 2HD LYS 55 -16.256 6.183 -22.270 419 2HD LYS 55 1HD LYS 55 -15.834 4.643 -23.019 420 1HE LYS 55 2HE LYS 55 -18.168 4.017 -23.191 421 2HE LYS 55 1HE LYS 55 -18.660 5.436 -22.267 422 1HZ LYS 55 1HZ LYS 55 -17.145 5.667 -24.797 423 2HZ LYS 55 2HZ LYS 55 -18.048 6.860 -23.993 424 3HZ LYS 55 3HZ LYS 55 -18.839 5.576 -24.775 425 H ALA 56 H ALA 56 -13.724 4.837 -18.170 426 HA ALA 56 HA ALA 56 -12.619 7.254 -17.308 427 1HB ALA 56 1HB ALA 56 -11.225 4.927 -16.186 428 2HB ALA 56 2HB ALA 56 -12.979 4.749 -16.187 429 3HB ALA 56 3HB ALA 56 -12.233 6.128 -15.378 430 H ALA 57 H ALA 57 -10.969 4.521 -18.876 431 HA ALA 57 HA ALA 57 -8.325 5.625 -18.705 432 1HB ALA 57 1HB ALA 57 -8.240 3.390 -19.295 433 2HB ALA 57 2HB ALA 57 -8.103 4.113 -20.897 434 3HB ALA 57 3HB ALA 57 -9.659 3.502 -20.336 435 H VAL 58 H VAL 58 -10.756 5.697 -21.332 436 HA VAL 58 HA VAL 58 -9.319 7.187 -23.220 437 HB VAL 58 HB VAL 58 -12.253 7.145 -22.503 438 1HG1 VAL 58 1HG1 VAL 58 -12.208 8.284 -24.974 439 2HG1 VAL 58 2HG1 VAL 58 -10.778 9.026 -24.256 440 3HG1 VAL 58 3HG1 VAL 58 -12.352 9.209 -23.479 441 1HG2 VAL 58 1HG2 VAL 58 -10.787 5.304 -23.774 442 2HG2 VAL 58 2HG2 VAL 58 -11.090 6.367 -25.146 443 3HG2 VAL 58 3HG2 VAL 58 -12.443 5.657 -24.265 444 H GLU 59 H GLU 59 -11.446 8.500 -20.647 445 HA GLU 59 HA GLU 59 -10.965 11.232 -21.076 446 1HB GLU 59 2HB GLU 59 -11.830 9.561 -18.815 447 2HB GLU 59 1HB GLU 59 -11.035 11.056 -18.322 448 1HG GLU 59 2HG GLU 59 -13.296 10.916 -20.337 449 2HG GLU 59 1HG GLU 59 -13.511 11.307 -18.630 450 H ALA 60 H ALA 60 -9.015 8.893 -19.232 451 HA ALA 60 HA ALA 60 -7.096 10.667 -18.169 452 1HB ALA 60 1HB ALA 60 -7.337 7.822 -18.586 453 2HB ALA 60 2HB ALA 60 -6.363 8.683 -17.393 454 3HB ALA 60 3HB ALA 60 -5.701 8.341 -18.992 455 H PHE 61 H PHE 61 -6.816 8.805 -21.222 456 HA PHE 61 HA PHE 61 -4.466 9.936 -22.205 457 1HB PHE 61 2HB PHE 61 -5.664 8.140 -23.378 458 2HB PHE 61 1HB PHE 61 -6.968 9.258 -23.782 459 HD1 PHE 61 HD1 PHE 61 -3.767 7.962 -24.768 460 HD2 PHE 61 HD2 PHE 61 -6.366 11.363 -25.142 461 HE1 PHE 61 HE1 PHE 61 -2.518 8.696 -26.781 462 HE2 PHE 61 HE2 PHE 61 -5.116 12.096 -27.154 463 HZ PHE 61 HZ PHE 61 -3.192 10.762 -27.974 464 H LYS 62 H LYS 62 -7.750 11.134 -23.006 465 HA LYS 62 HA LYS 62 -7.030 13.483 -24.327 466 1HB LYS 62 2HB LYS 62 -9.327 13.092 -22.382 467 2HB LYS 62 1HB LYS 62 -9.198 14.417 -23.541 468 1HG LYS 62 2HG LYS 62 -8.752 12.121 -25.072 469 2HG LYS 62 1HG LYS 62 -10.062 11.670 -23.978 470 1HD LYS 62 2HD LYS 62 -11.183 12.646 -25.812 471 2HD LYS 62 1HD LYS 62 -11.111 13.950 -24.627 472 1HE LYS 62 2HE LYS 62 -10.217 15.153 -26.339 473 2HE LYS 62 1HE LYS 62 -8.733 14.293 -25.931 474 1HZ LYS 62 1HZ LYS 62 -9.492 12.529 -27.511 475 2HZ LYS 62 2HZ LYS 62 -9.083 14.012 -28.235 476 3HZ LYS 62 3HZ LYS 62 -10.715 13.590 -28.019 477 H MET 63 H MET 63 -7.295 12.973 -20.807 478 HA MET 63 HA MET 63 -6.709 15.694 -20.092 479 1HB MET 63 2HB MET 63 -6.701 13.058 -18.678 480 2HB MET 63 1HB MET 63 -5.846 14.401 -17.918 481 1HG MET 63 2HG MET 63 -8.015 15.758 -18.362 482 2HG MET 63 1HG MET 63 -8.776 14.185 -18.600 483 1HE MET 63 1HE MET 63 -8.558 12.306 -17.182 484 2HE MET 63 2HE MET 63 -8.545 12.325 -15.421 485 3HE MET 63 3HE MET 63 -7.021 12.344 -16.306 486 H GLY 64 H GLY 64 -4.716 13.013 -21.084 487 1HA GLY 64 2HA GLY 64 -2.481 13.625 -21.998 488 2HA GLY 64 1HA GLY 64 -2.312 14.735 -20.638 489 H PHE 65 H PHE 65 -3.289 11.301 -20.883 490 HA PHE 65 HA PHE 65 -1.048 10.649 -19.020 491 1HB PHE 65 2HB PHE 65 -3.973 10.016 -18.762 492 2HB PHE 65 1HB PHE 65 -2.783 8.889 -18.112 493 HD1 PHE 65 HD1 PHE 65 -0.901 9.931 -16.618 494 HD2 PHE 65 HD2 PHE 65 -4.643 11.855 -17.480 495 HE1 PHE 65 HE1 PHE 65 -0.614 11.381 -14.626 496 HE2 PHE 65 HE2 PHE 65 -4.356 13.306 -15.488 497 HZ PHE 65 HZ PHE 65 -2.341 13.069 -14.061 498 H GLU 66 H GLU 66 0.238 9.191 -20.045 499 HA GLU 66 HA GLU 66 -0.551 7.801 -22.425 500 1HB GLU 66 2HB GLU 66 1.790 8.202 -22.056 501 2HB GLU 66 1HB GLU 66 1.746 7.380 -20.496 502 1HG GLU 66 2HG GLU 66 2.027 5.359 -21.458 503 2HG GLU 66 1HG GLU 66 0.749 5.672 -22.635 504 H VAL 67 H VAL 67 -2.516 6.706 -21.880 505 HA VAL 67 HA VAL 67 -2.692 4.837 -19.687 506 HB VAL 67 HB VAL 67 -4.688 5.863 -20.716 507 1HG1 VAL 67 1HG1 VAL 67 -3.834 5.882 -23.046 508 2HG1 VAL 67 2HG1 VAL 67 -5.425 5.127 -22.941 509 3HG1 VAL 67 3HG1 VAL 67 -3.983 4.125 -23.102 510 1HG2 VAL 67 1HG2 VAL 67 -5.176 3.053 -21.437 511 2HG2 VAL 67 2HG2 VAL 67 -5.934 4.039 -20.187 512 3HG2 VAL 67 3HG2 VAL 67 -4.389 3.251 -19.871 513 H LEU 68 H LEU 68 -2.488 2.572 -19.726 514 HA LEU 68 HA LEU 68 -1.295 1.431 -22.219 515 1HB LEU 68 2HB LEU 68 -0.203 1.578 -19.527 516 2HB LEU 68 1HB LEU 68 -0.347 -0.096 -20.062 517 HG LEU 68 HG LEU 68 1.840 1.034 -20.669 518 1HD1 LEU 68 1HD1 LEU 68 -0.034 -0.329 -22.536 519 2HD1 LEU 68 2HD1 LEU 68 1.565 -0.824 -21.986 520 3HD1 LEU 68 3HD1 LEU 68 1.408 0.393 -23.251 521 1HD2 LEU 68 1HD2 LEU 68 0.240 3.129 -21.400 522 2HD2 LEU 68 2HD2 LEU 68 0.536 2.372 -22.965 523 3HD2 LEU 68 3HD2 LEU 68 1.892 2.906 -21.974 524 H GLU 69 H GLU 69 -2.120 -0.558 -22.843 525 HA GLU 69 HA GLU 69 -4.663 -1.393 -22.109 526 1HB GLU 69 2HB GLU 69 -2.304 -2.999 -23.112 527 2HB GLU 69 1HB GLU 69 -3.903 -3.714 -22.894 528 1HG GLU 69 2HG GLU 69 -3.557 -1.175 -24.483 529 2HG GLU 69 1HG GLU 69 -3.305 -2.752 -25.234 530 H ALA 70 H ALA 70 -5.307 -3.395 -20.872 531 HA ALA 70 HA ALA 70 -3.721 -3.548 -18.346 532 1HB ALA 70 1HB ALA 70 -5.887 -4.437 -17.378 533 2HB ALA 70 2HB ALA 70 -6.653 -4.057 -18.921 534 3HB ALA 70 3HB ALA 70 -5.967 -2.766 -17.935 535 H GLU 71 H GLU 71 -4.298 -5.838 -17.233 536 HA GLU 71 HA GLU 71 -4.297 -8.015 -19.237 537 1HB GLU 71 2HB GLU 71 -2.234 -9.011 -18.275 538 2HB GLU 71 1HB GLU 71 -1.918 -7.444 -19.021 539 1HG GLU 71 2HG GLU 71 -2.617 -6.811 -16.396 540 2HG GLU 71 1HG GLU 71 -1.615 -8.255 -16.237 541 H GLU 72 H GLU 72 -5.756 -9.452 -18.447 542 HA GLU 72 HA GLU 72 -7.027 -9.452 -16.006 543 1HB GLU 72 2HB GLU 72 -6.639 -12.194 -16.529 544 2HB GLU 72 1HB GLU 72 -8.003 -11.199 -17.042 545 1HG GLU 72 2HG GLU 72 -6.838 -10.595 -19.101 546 2HG GLU 72 1HG GLU 72 -5.405 -11.482 -18.581 547 H THR 73 H THR 73 -6.201 -9.453 -13.978 548 HA THR 73 HA THR 73 -3.739 -11.077 -13.475 549 HB THR 73 HB THR 73 -3.478 -8.589 -13.210 550 HG1 THR 73 HG1 THR 73 -2.658 -10.493 -11.702 551 1HG2 THR 73 1HG2 THR 73 -5.840 -8.259 -12.387 552 2HG2 THR 73 2HG2 THR 73 -4.611 -7.455 -11.410 553 3HG2 THR 73 3HG2 THR 73 -5.337 -8.962 -10.850 554 H GLU 74 H GLU 74 -4.083 -10.634 -10.562 555 HA GLU 74 HA GLU 74 -6.630 -12.011 -9.963 556 1HB GLU 74 2HB GLU 74 -4.004 -13.332 -10.030 557 2HB GLU 74 1HB GLU 74 -4.861 -13.543 -8.503 558 1HG GLU 74 2HG GLU 74 -6.863 -14.308 -9.743 559 2HG GLU 74 1HG GLU 74 -5.981 -14.131 -11.260 560 H ASP 75 H ASP 75 -7.425 -11.016 -8.181 561 HA ASP 75 HA ASP 75 -5.584 -9.485 -6.442 562 1HB ASP 75 2HB ASP 75 -7.833 -8.599 -7.323 563 2HB ASP 75 1HB ASP 75 -8.587 -9.689 -6.160 564 H GLU 76 H GLU 76 -8.308 -11.751 -5.891 565 HA GLU 76 HA GLU 76 -7.050 -12.519 -3.313 566 1HB GLU 76 2HB GLU 76 -9.600 -11.958 -3.738 567 2HB GLU 76 1HB GLU 76 -9.661 -13.636 -4.280 568 1HG GLU 76 2HG GLU 76 -8.270 -13.970 -1.994 569 2HG GLU 76 1HG GLU 76 -9.209 -12.543 -1.552 570 H ASP 77 H ASP 77 -5.961 -13.362 -5.948 571 HA ASP 77 HA ASP 77 -5.197 -15.321 -6.997 572 1HB ASP 77 2HB ASP 77 -5.415 -16.001 -4.088 573 2HB ASP 77 1HB ASP 77 -5.064 -17.298 -5.231 574 H GLY 78 H GLY 78 -8.279 -14.849 -6.322 575 1HA GLY 78 2HA GLY 78 -9.096 -17.422 -7.561 576 2HA GLY 78 1HA GLY 78 -9.906 -16.924 -6.074 577 H ASN 79 H ASN 79 -8.905 -14.356 -8.113 578 HA ASN 79 HA ASN 79 -11.639 -14.169 -9.303 579 1HB ASN 79 2HB ASN 79 -10.287 -12.317 -7.448 580 2HB ASN 79 1HB ASN 79 -10.956 -11.542 -8.885 581 1HD2 ASN 79 1HD2 ASN 79 -11.762 -12.691 -5.780 582 2HD2 ASN 79 2HD2 ASN 79 -13.449 -12.715 -5.963 583 H LYS 80 H LYS 80 -11.485 -12.096 -10.921 584 HA LYS 80 HA LYS 80 -8.882 -11.940 -12.272 585 1HB LYS 80 2HB LYS 80 -9.902 -12.689 -14.469 586 2HB LYS 80 1HB LYS 80 -9.672 -13.977 -13.286 587 1HG LYS 80 2HG LYS 80 -11.868 -14.445 -13.392 588 2HG LYS 80 1HG LYS 80 -12.229 -12.828 -12.786 589 1HD LYS 80 2HD LYS 80 -11.947 -12.003 -15.181 590 2HD LYS 80 1HD LYS 80 -11.934 -13.698 -15.670 591 1HE LYS 80 2HE LYS 80 -14.179 -13.777 -15.562 592 2HE LYS 80 1HE LYS 80 -14.138 -13.261 -13.875 593 1HZ LYS 80 1HZ LYS 80 -13.597 -11.147 -15.749 594 2HZ LYS 80 2HZ LYS 80 -14.662 -11.181 -14.425 595 3HZ LYS 80 3HZ LYS 80 -15.145 -11.817 -15.924 596 H LEU 81 H LEU 81 -8.802 -9.744 -12.466 597 HA LEU 81 HA LEU 81 -11.170 -8.397 -13.700 598 1HB LEU 81 2HB LEU 81 -10.679 -6.415 -12.288 599 2HB LEU 81 1HB LEU 81 -11.090 -7.825 -11.313 600 HG LEU 81 HG LEU 81 -8.246 -7.778 -11.856 601 1HD1 LEU 81 1HD1 LEU 81 -8.290 -5.413 -11.996 602 2HD1 LEU 81 2HD1 LEU 81 -7.873 -5.742 -10.314 603 3HD1 LEU 81 3HD1 LEU 81 -9.520 -5.278 -10.740 604 1HD2 LEU 81 1HD2 LEU 81 -9.241 -9.046 -10.037 605 2HD2 LEU 81 2HD2 LEU 81 -9.948 -7.584 -9.351 606 3HD2 LEU 81 3HD2 LEU 81 -8.199 -7.806 -9.340 607 H LEU 82 H LEU 82 -10.481 -6.216 -14.674 608 HA LEU 82 HA LEU 82 -7.914 -6.645 -16.110 609 1HB LEU 82 2HB LEU 82 -10.173 -4.697 -16.673 610 2HB LEU 82 1HB LEU 82 -8.766 -4.970 -17.700 611 HG LEU 82 HG LEU 82 -9.467 -7.427 -17.772 612 1HD1 LEU 82 1HD1 LEU 82 -11.081 -7.929 -16.253 613 2HD1 LEU 82 2HD1 LEU 82 -12.190 -7.258 -17.449 614 3HD1 LEU 82 3HD1 LEU 82 -11.609 -6.252 -16.122 615 1HD2 LEU 82 1HD2 LEU 82 -11.154 -7.003 -19.525 616 2HD2 LEU 82 2HD2 LEU 82 -9.816 -5.862 -19.653 617 3HD2 LEU 82 3HD2 LEU 82 -11.347 -5.350 -18.943 618 H CYS 83 H CYS 83 -6.177 -5.344 -15.734 619 HA CYS 83 HA CYS 83 -6.630 -2.864 -14.130 620 1HB CYS 83 2HB CYS 83 -4.225 -3.369 -13.282 621 2HB CYS 83 1HB CYS 83 -5.559 -4.301 -12.603 622 HG CYS 83 HG CYS 83 -4.100 -5.547 -15.039 623 H PHE 84 H PHE 84 -6.201 -1.154 -15.444 624 HA PHE 84 HA PHE 84 -4.130 -1.487 -17.560 625 1HB PHE 84 2HB PHE 84 -5.073 0.690 -18.423 626 2HB PHE 84 1HB PHE 84 -6.227 -0.641 -18.410 627 HD1 PHE 84 HD1 PHE 84 -7.684 -0.884 -16.240 628 HD2 PHE 84 HD2 PHE 84 -5.634 2.711 -17.392 629 HE1 PHE 84 HE1 PHE 84 -9.202 0.445 -14.798 630 HE2 PHE 84 HE2 PHE 84 -7.152 4.039 -15.950 631 HZ PHE 84 HZ PHE 84 -8.935 2.907 -14.653 632 H ASP 85 H ASP 85 -2.612 0.375 -17.871 633 HA ASP 85 HA ASP 85 -2.004 1.697 -15.254 634 1HB ASP 85 2HB ASP 85 0.195 1.186 -17.200 635 2HB ASP 85 1HB ASP 85 0.227 1.163 -15.436 636 H ALA 86 H ALA 86 -0.680 3.728 -15.542 637 HA ALA 86 HA ALA 86 -1.125 5.057 -18.164 638 1HB ALA 86 1HB ALA 86 -1.888 7.114 -16.912 639 2HB ALA 86 2HB ALA 86 -1.999 6.117 -15.462 640 3HB ALA 86 3HB ALA 86 -3.028 5.769 -16.853 641 H THR 87 H THR 87 0.251 7.035 -18.371 642 HA THR 87 HA THR 87 2.494 7.115 -16.415 643 HB THR 87 HB THR 87 3.547 7.499 -19.056 644 HG1 THR 87 HG1 THR 87 3.098 5.020 -19.358 645 1HG2 THR 87 1HG2 THR 87 4.961 6.826 -17.264 646 2HG2 THR 87 2HG2 THR 87 4.863 5.426 -18.332 647 3HG2 THR 87 3HG2 THR 87 3.912 5.472 -16.847 648 H MET 88 H MET 88 3.568 9.140 -16.320 649 HA MET 88 HA MET 88 2.743 11.321 -18.101 650 1HB MET 88 2HB MET 88 0.944 11.097 -16.279 651 2HB MET 88 1HB MET 88 2.186 11.622 -15.142 652 1HG MET 88 2HG MET 88 2.541 13.668 -16.506 653 2HG MET 88 1HG MET 88 1.246 13.152 -17.587 654 1HE MET 88 1HE MET 88 -1.154 13.092 -17.122 655 2HE MET 88 2HE MET 88 -0.616 14.737 -17.444 656 3HE MET 88 3HE MET 88 -1.814 14.440 -16.186 657 H GLN 89 H GLN 89 4.499 12.640 -18.335 658 HA GLN 89 HA GLN 89 6.742 12.298 -16.419 659 1HB GLN 89 2HB GLN 89 6.895 13.960 -18.919 660 2HB GLN 89 1HB GLN 89 8.164 13.026 -18.124 661 1HG GLN 89 2HG GLN 89 6.559 10.990 -18.700 662 2HG GLN 89 1HG GLN 89 5.987 12.091 -19.954 663 1HE2 GLN 89 1HE2 GLN 89 8.303 9.727 -19.353 664 2HE2 GLN 89 2HE2 GLN 89 9.432 10.158 -20.544 665 H SER 90 H SER 90 7.580 14.022 -15.234 666 HA SER 90 HA SER 90 6.879 16.774 -15.671 667 1HB SER 90 2HB SER 90 5.326 17.164 -13.886 668 2HB SER 90 1HB SER 90 4.685 15.806 -14.807 669 HG SER 90 HG SER 90 4.764 15.550 -12.455 670 H ALA 91 H ALA 91 7.320 17.964 -13.344 671 HA ALA 91 HA ALA 91 10.045 17.132 -12.662 672 1HB ALA 91 1HB ALA 91 8.407 19.351 -11.409 673 2HB ALA 91 2HB ALA 91 9.306 19.543 -12.915 674 3HB ALA 91 3HB ALA 91 10.163 19.190 -11.415 675 H LEU 92 H LEU 92 10.266 15.463 -11.241 676 HA LEU 92 HA LEU 92 8.430 14.351 -9.508 677 1HB LEU 92 2HB LEU 92 10.813 13.570 -9.903 678 2HB LEU 92 1HB LEU 92 11.326 14.788 -8.736 679 HG LEU 92 HG LEU 92 9.582 13.721 -7.148 680 1HD1 LEU 92 1HD1 LEU 92 9.711 11.094 -7.914 681 2HD1 LEU 92 2HD1 LEU 92 9.521 11.895 -9.472 682 3HD1 LEU 92 3HD1 LEU 92 8.324 12.143 -8.202 683 1HD2 LEU 92 1HD2 LEU 92 11.228 12.071 -6.386 684 2HD2 LEU 92 2HD2 LEU 92 12.052 13.541 -6.905 685 3HD2 LEU 92 3HD2 LEU 92 12.032 12.124 -7.954 686 H ASP 93 H ASP 93 7.056 15.822 -8.458 687 HA ASP 93 HA ASP 93 8.288 17.245 -6.162 688 1HB ASP 93 2HB ASP 93 7.000 18.507 -8.499 689 2HB ASP 93 1HB ASP 93 6.397 19.068 -6.939 690 H ALA 94 H ALA 94 6.981 17.184 -4.350 691 HA ALA 94 HA ALA 94 4.816 15.346 -4.231 692 1HB ALA 94 1HB ALA 94 5.016 17.634 -2.296 693 2HB ALA 94 2HB ALA 94 6.289 16.413 -2.332 694 3HB ALA 94 3HB ALA 94 4.625 15.943 -1.984 695 H LYS 95 H LYS 95 4.796 18.915 -4.427 696 HA LYS 95 HA LYS 95 2.012 19.322 -4.260 697 1HB LYS 95 2HB LYS 95 3.864 20.833 -6.124 698 2HB LYS 95 1HB LYS 95 2.381 21.426 -5.378 699 1HG LYS 95 2HG LYS 95 3.522 22.079 -3.554 700 2HG LYS 95 1HG LYS 95 4.130 20.439 -3.320 701 1HD LYS 95 2HD LYS 95 5.955 20.871 -4.910 702 2HD LYS 95 1HD LYS 95 5.339 22.500 -5.188 703 1HE LYS 95 2HE LYS 95 5.928 23.231 -3.038 704 2HE LYS 95 1HE LYS 95 5.989 21.590 -2.395 705 1HZ LYS 95 1HZ LYS 95 8.122 21.449 -2.919 706 2HZ LYS 95 2HZ LYS 95 8.097 23.086 -3.372 707 3HZ LYS 95 3HZ LYS 95 7.819 21.875 -4.532 708 H LEU 96 H LEU 96 3.966 18.778 -7.214 709 HA LEU 96 HA LEU 96 1.768 18.737 -9.025 710 1HB LEU 96 2HB LEU 96 4.601 17.953 -9.067 711 2HB LEU 96 1HB LEU 96 3.586 16.970 -10.123 712 HG LEU 96 HG LEU 96 2.640 19.077 -11.092 713 1HD1 LEU 96 1HD1 LEU 96 2.945 20.745 -9.482 714 2HD1 LEU 96 2HD1 LEU 96 4.239 21.109 -10.623 715 3HD1 LEU 96 3HD1 LEU 96 4.598 20.241 -9.130 716 1HD2 LEU 96 1HD2 LEU 96 4.954 17.789 -11.726 717 2HD2 LEU 96 2HD2 LEU 96 5.565 19.419 -11.445 718 3HD2 LEU 96 3HD2 LEU 96 4.311 19.144 -12.653 719 H ILE 97 H ILE 97 3.591 15.880 -7.861 720 HA ILE 97 HA ILE 97 1.906 13.862 -8.701 721 HB ILE 97 HB ILE 97 3.428 14.158 -6.108 722 1HG1 ILE 97 2HG1 ILE 97 3.916 12.170 -8.313 723 2HG1 ILE 97 1HG1 ILE 97 4.458 13.838 -8.502 724 1HG2 ILE 97 1HG2 ILE 97 1.537 12.020 -6.993 725 2HG2 ILE 97 2HG2 ILE 97 1.896 12.597 -5.366 726 3HG2 ILE 97 3HG2 ILE 97 3.025 11.522 -6.190 727 1HD1 ILE 97 1HD1 ILE 97 5.115 12.221 -6.035 728 2HD1 ILE 97 2HD1 ILE 97 5.880 13.706 -6.602 729 3HD1 ILE 97 3HD1 ILE 97 6.142 12.191 -7.468 730 H ASP 98 H ASP 98 1.423 15.969 -5.886 731 HA ASP 98 HA ASP 98 -0.866 14.630 -4.830 732 1HB ASP 98 2HB ASP 98 0.440 17.247 -4.498 733 2HB ASP 98 1HB ASP 98 -1.301 17.274 -4.212 734 H GLU 99 H GLU 99 -0.707 17.508 -6.962 735 HA GLU 99 HA GLU 99 -3.527 17.659 -7.397 736 1HB GLU 99 2HB GLU 99 -1.336 18.532 -9.303 737 2HB GLU 99 1HB GLU 99 -2.989 19.145 -9.237 738 1HG GLU 99 2HG GLU 99 -2.625 20.301 -7.240 739 2HG GLU 99 1HG GLU 99 -1.258 19.283 -6.785 740 H GLN 100 H GLN 100 -0.944 16.117 -9.337 741 HA GLN 100 HA GLN 100 -2.581 15.189 -11.451 742 1HB GLN 100 2HB GLN 100 -0.172 13.804 -10.231 743 2HB GLN 100 1HB GLN 100 -0.835 13.502 -11.838 744 1HG GLN 100 2HG GLN 100 0.349 16.111 -10.845 745 2HG GLN 100 1HG GLN 100 1.068 15.018 -12.028 746 1HE2 GLN 100 1HE2 GLN 100 0.105 17.891 -12.353 747 2HE2 GLN 100 2HE2 GLN 100 -0.994 17.831 -13.646 748 H VAL 101 H VAL 101 -1.629 13.437 -8.472 749 HA VAL 101 HA VAL 101 -3.264 11.153 -8.964 750 HB VAL 101 HB VAL 101 -2.221 12.385 -6.401 751 1HG1 VAL 101 1HG1 VAL 101 -4.102 11.190 -5.635 752 2HG1 VAL 101 2HG1 VAL 101 -2.799 10.009 -5.511 753 3HG1 VAL 101 3HG1 VAL 101 -3.923 9.941 -6.868 754 1HG2 VAL 101 1HG2 VAL 101 -0.733 10.376 -6.495 755 2HG2 VAL 101 2HG2 VAL 101 -0.522 11.442 -7.884 756 3HG2 VAL 101 3HG2 VAL 101 -1.454 9.954 -8.049 757 H GLU 102 H GLU 102 -3.905 13.981 -6.857 758 HA GLU 102 HA GLU 102 -6.462 13.434 -5.986 759 1HB GLU 102 2HB GLU 102 -5.126 15.969 -6.853 760 2HB GLU 102 1HB GLU 102 -6.858 16.009 -6.515 761 1HG GLU 102 2HG GLU 102 -6.411 14.972 -4.291 762 2HG GLU 102 1HG GLU 102 -4.682 15.065 -4.627 763 H LYS 103 H LYS 103 -5.521 14.428 -9.250 764 HA LYS 103 HA LYS 103 -8.206 14.779 -10.237 765 1HB LYS 103 2HB LYS 103 -5.487 14.688 -11.355 766 2HB LYS 103 1HB LYS 103 -6.719 14.048 -12.443 767 1HG LYS 103 2HG LYS 103 -8.069 16.128 -12.035 768 2HG LYS 103 1HG LYS 103 -6.707 16.774 -11.120 769 1HD LYS 103 2HD LYS 103 -5.261 16.486 -13.128 770 2HD LYS 103 1HD LYS 103 -6.672 15.946 -14.037 771 1HE LYS 103 2HE LYS 103 -6.626 18.219 -14.561 772 2HE LYS 103 1HE LYS 103 -7.731 18.197 -13.186 773 1HZ LYS 103 1HZ LYS 103 -5.037 18.369 -12.316 774 2HZ LYS 103 2HZ LYS 103 -6.332 19.425 -12.012 775 3HZ LYS 103 3HZ LYS 103 -5.382 19.622 -13.406 776 H LEU 104 H LEU 104 -5.885 12.132 -10.930 777 HA LEU 104 HA LEU 104 -7.728 10.358 -12.099 778 1HB LEU 104 2HB LEU 104 -5.447 9.512 -10.294 779 2HB LEU 104 1HB LEU 104 -6.144 8.604 -11.636 780 HG LEU 104 HG LEU 104 -4.761 11.286 -11.928 781 1HD1 LEU 104 1HD1 LEU 104 -2.943 9.914 -12.982 782 2HD1 LEU 104 2HD1 LEU 104 -3.774 8.462 -12.424 783 3HD1 LEU 104 3HD1 LEU 104 -3.131 9.614 -11.254 784 1HD2 LEU 104 1HD2 LEU 104 -6.044 11.161 -13.834 785 2HD2 LEU 104 2HD2 LEU 104 -6.189 9.406 -13.745 786 3HD2 LEU 104 3HD2 LEU 104 -4.711 10.137 -14.368 787 H VAL 105 H VAL 105 -7.409 11.315 -8.789 788 HA VAL 105 HA VAL 105 -8.726 8.993 -7.642 789 HB VAL 105 HB VAL 105 -8.113 11.774 -6.637 790 1HG1 VAL 105 1HG1 VAL 105 -8.894 10.425 -4.406 791 2HG1 VAL 105 2HG1 VAL 105 -10.027 9.770 -5.589 792 3HG1 VAL 105 3HG1 VAL 105 -9.951 11.510 -5.307 793 1HG2 VAL 105 1HG2 VAL 105 -6.698 10.470 -5.053 794 2HG2 VAL 105 2HG2 VAL 105 -6.253 10.179 -6.734 795 3HG2 VAL 105 3HG2 VAL 105 -7.208 8.984 -5.855 796 H ASN 106 H ASN 106 -9.868 12.384 -7.845 797 HA ASN 106 HA ASN 106 -12.578 11.879 -7.346 798 1HB ASN 106 2HB ASN 106 -11.152 13.980 -8.958 799 2HB ASN 106 1HB ASN 106 -12.915 13.935 -8.939 800 1HD2 ASN 106 1HD2 ASN 106 -10.935 15.896 -7.650 801 2HD2 ASN 106 2HD2 ASN 106 -11.398 15.943 -6.018 802 H LEU 107 H LEU 107 -10.972 12.011 -10.544 803 HA LEU 107 HA LEU 107 -13.214 11.364 -12.127 804 1HB LEU 107 2HB LEU 107 -11.216 12.006 -13.253 805 2HB LEU 107 1HB LEU 107 -10.274 10.744 -12.458 806 HG LEU 107 HG LEU 107 -12.599 9.748 -13.974 807 1HD1 LEU 107 1HD1 LEU 107 -11.774 11.677 -15.382 808 2HD1 LEU 107 2HD1 LEU 107 -11.646 10.101 -16.165 809 3HD1 LEU 107 3HD1 LEU 107 -10.212 10.861 -15.473 810 1HD2 LEU 107 1HD2 LEU 107 -10.769 8.379 -12.900 811 2HD2 LEU 107 2HD2 LEU 107 -9.650 9.046 -14.088 812 3HD2 LEU 107 3HD2 LEU 107 -11.001 8.044 -14.616 813 H ALA 108 H ALA 108 -10.885 9.162 -10.552 814 HA ALA 108 HA ALA 108 -11.903 6.717 -11.494 815 1HB ALA 108 1HB ALA 108 -10.035 6.316 -10.232 816 2HB ALA 108 2HB ALA 108 -11.226 6.038 -8.961 817 3HB ALA 108 3HB ALA 108 -10.413 7.598 -9.081 818 H GLU 109 H GLU 109 -12.734 8.158 -8.315 819 HA GLU 109 HA GLU 109 -14.911 6.455 -7.755 820 1HB GLU 109 2HB GLU 109 -14.201 9.255 -6.920 821 2HB GLU 109 1HB GLU 109 -15.750 8.564 -6.436 822 1HG GLU 109 2HG GLU 109 -13.878 8.203 -4.772 823 2HG GLU 109 1HG GLU 109 -14.666 6.723 -5.321 824 H LYS 110 H LYS 110 -14.860 9.528 -9.554 825 HA LYS 110 HA LYS 110 -17.639 9.863 -9.913 826 1HB LYS 110 2HB LYS 110 -15.280 10.538 -11.677 827 2HB LYS 110 1HB LYS 110 -16.933 10.953 -12.135 828 1HG LYS 110 2HG LYS 110 -16.593 11.735 -9.419 829 2HG LYS 110 1HG LYS 110 -15.193 12.329 -10.314 830 1HD LYS 110 2HD LYS 110 -16.814 13.239 -12.040 831 2HD LYS 110 1HD LYS 110 -18.115 12.846 -10.916 832 1HE LYS 110 2HE LYS 110 -17.737 14.968 -10.160 833 2HE LYS 110 1HE LYS 110 -16.442 14.187 -9.253 834 1HZ LYS 110 1HZ LYS 110 -16.292 15.888 -11.615 835 2HZ LYS 110 2HZ LYS 110 -15.194 14.593 -11.536 836 3HZ LYS 110 3HZ LYS 110 -15.227 15.758 -10.301 837 H PHE 111 H PHE 111 -15.416 7.629 -11.465 838 HA PHE 111 HA PHE 111 -17.520 6.783 -13.378 839 1HB PHE 111 2HB PHE 111 -14.582 6.182 -13.065 840 2HB PHE 111 1HB PHE 111 -15.606 5.172 -14.086 841 HD1 PHE 111 HD1 PHE 111 -15.498 5.718 -16.341 842 HD2 PHE 111 HD2 PHE 111 -15.271 8.857 -13.418 843 HE1 PHE 111 HE1 PHE 111 -15.350 7.399 -18.158 844 HE2 PHE 111 HE2 PHE 111 -15.123 10.538 -15.234 845 HZ PHE 111 HZ PHE 111 -15.162 9.809 -17.605 846 H ASP 112 H ASP 112 -15.182 4.824 -11.551 847 HA ASP 112 HA ASP 112 -16.741 3.578 -9.658 848 1HB ASP 112 2HB ASP 112 -17.567 2.805 -12.390 849 2HB ASP 112 1HB ASP 112 -17.280 1.450 -11.297 850 H ILE 113 H ILE 113 -13.987 4.063 -10.472 851 HA ILE 113 HA ILE 113 -12.944 1.260 -10.413 852 HB ILE 113 HB ILE 113 -10.838 2.309 -11.387 853 1HG1 ILE 113 2HG1 ILE 113 -12.702 4.584 -12.104 854 2HG1 ILE 113 1HG1 ILE 113 -11.633 4.657 -10.703 855 1HG2 ILE 113 1HG2 ILE 113 -12.875 1.156 -12.627 856 2HG2 ILE 113 2HG2 ILE 113 -11.600 1.945 -13.554 857 3HG2 ILE 113 3HG2 ILE 113 -13.127 2.777 -13.268 858 1HD1 ILE 113 1HD1 ILE 113 -9.747 4.853 -11.981 859 2HD1 ILE 113 2HD1 ILE 113 -10.887 5.485 -13.170 860 3HD1 ILE 113 3HD1 ILE 113 -10.374 3.800 -13.249 861 H ILE 114 H ILE 114 -10.790 1.113 -9.249 862 HA ILE 114 HA ILE 114 -10.790 2.978 -6.910 863 HB ILE 114 HB ILE 114 -11.229 0.930 -5.920 864 1HG1 ILE 114 2HG1 ILE 114 -9.190 0.074 -4.927 865 2HG1 ILE 114 1HG1 ILE 114 -8.219 0.719 -6.250 866 1HG2 ILE 114 1HG2 ILE 114 -11.354 -0.477 -7.822 867 2HG2 ILE 114 2HG2 ILE 114 -10.094 -1.202 -6.824 868 3HG2 ILE 114 3HG2 ILE 114 -9.656 -0.223 -8.224 869 1HD1 ILE 114 1HD1 ILE 114 -8.627 2.023 -3.888 870 2HD1 ILE 114 2HD1 ILE 114 -9.923 2.704 -4.869 871 3HD1 ILE 114 3HD1 ILE 114 -8.249 2.838 -5.405 872 H TYR 115 H TYR 115 -9.132 4.392 -7.108 873 HA TYR 115 HA TYR 115 -6.694 3.590 -8.586 874 1HB TYR 115 2HB TYR 115 -7.244 5.733 -9.273 875 2HB TYR 115 1HB TYR 115 -7.917 6.175 -7.706 876 HD1 TYR 115 HD1 TYR 115 -4.846 5.868 -9.706 877 HD2 TYR 115 HD2 TYR 115 -6.470 6.901 -5.866 878 HE1 TYR 115 HE1 TYR 115 -2.696 6.937 -9.084 879 HE2 TYR 115 HE2 TYR 115 -4.321 7.970 -5.244 880 HH TYR 115 HH TYR 115 -1.567 7.425 -6.501 881 H ASP 116 H ASP 116 -5.131 2.611 -7.398 882 HA ASP 116 HA ASP 116 -4.141 3.858 -4.956 883 1HB ASP 116 2HB ASP 116 -6.008 2.615 -3.992 884 2HB ASP 116 1HB ASP 116 -5.490 1.144 -4.819 885 H GLY 117 H GLY 117 -2.248 3.868 -6.361 886 1HA GLY 117 2HA GLY 117 -0.306 1.967 -5.867 887 2HA GLY 117 1HA GLY 117 -1.124 1.351 -7.304 888 H TRP 118 H TRP 118 0.705 4.107 -6.032 889 HA TRP 118 HA TRP 118 1.297 4.871 -8.864 890 1HB TRP 118 2HB TRP 118 1.203 7.120 -8.316 891 2HB TRP 118 1HB TRP 118 0.003 6.488 -7.189 892 HD1 TRP 118 HD1 TRP 118 0.851 6.048 -4.637 893 HE1 TRP 118 HE1 TRP 118 2.657 7.264 -3.257 894 HE3 TRP 118 HE3 TRP 118 3.422 8.362 -8.395 895 HZ2 TRP 118 HZ2 TRP 118 4.898 8.990 -3.691 896 HZ3 TRP 118 HZ3 TRP 118 5.385 9.784 -7.885 897 HH2 TRP 118 HH2 TRP 118 6.127 10.101 -5.539 898 H GLY 119 H GLY 119 3.507 5.684 -9.222 899 1HA GLY 119 2HA GLY 119 5.564 5.710 -7.286 900 2HA GLY 119 1HA GLY 119 5.498 4.071 -7.933 901 H THR 120 H THR 120 7.700 5.895 -8.289 902 HA THR 120 HA THR 120 7.543 6.313 -11.248 903 HB THR 120 HB THR 120 7.764 8.477 -10.251 904 HG1 THR 120 HG1 THR 120 10.465 7.957 -10.643 905 1HG2 THR 120 1HG2 THR 120 9.544 8.950 -8.570 906 2HG2 THR 120 2HG2 THR 120 9.931 7.229 -8.538 907 3HG2 THR 120 3HG2 THR 120 8.352 7.789 -7.988 908 H TYR 121 H TYR 121 9.779 6.163 -12.285 909 HA TYR 121 HA TYR 121 11.338 3.988 -10.944 910 1HB TYR 121 2HB TYR 121 10.074 3.970 -13.443 911 2HB TYR 121 1HB TYR 121 11.779 4.233 -13.816 912 HD1 TYR 121 HD1 TYR 121 9.609 2.118 -11.597 913 HD2 TYR 121 HD2 TYR 121 13.188 2.380 -13.959 914 HE1 TYR 121 HE1 TYR 121 10.075 -0.278 -11.158 915 HE2 TYR 121 HE2 TYR 121 13.654 -0.015 -13.519 916 HH TYR 121 HH TYR 121 11.316 -2.080 -11.929 917 H TYR 122 H TYR 122 13.622 4.157 -11.001 918 HA TYR 122 HA TYR 122 14.706 6.805 -10.962 919 1HB TYR 122 2HB TYR 122 15.616 4.615 -9.882 920 2HB TYR 122 1HB TYR 122 16.388 4.351 -11.446 921 HD1 TYR 122 HD1 TYR 122 18.531 5.205 -11.749 922 HD2 TYR 122 HD2 TYR 122 15.890 7.120 -8.955 923 HE1 TYR 122 HE1 TYR 122 20.337 6.787 -11.126 924 HE2 TYR 122 HE2 TYR 122 17.696 8.702 -8.333 925 HH TYR 122 HH TYR 122 20.976 8.346 -9.619 926 H GLU 123 H GLU 123 15.782 7.978 -12.553 927 HA GLU 123 HA GLU 123 15.583 6.873 -15.310 928 1HB GLU 123 2HB GLU 123 15.338 9.537 -14.115 929 2HB GLU 123 1HB GLU 123 16.388 9.519 -15.532 930 1HG GLU 123 2HG GLU 123 13.622 8.284 -15.471 931 2HG GLU 123 1HG GLU 123 13.961 9.907 -16.074 932 H GLY 124 H GLY 124 17.448 5.753 -15.760 933 1HA GLY 124 2HA GLY 124 19.728 5.983 -16.628 934 2HA GLY 124 1HA GLY 124 20.007 7.251 -15.436 935 H LEU 125 H LEU 125 19.257 3.760 -15.638 936 HA LEU 125 HA LEU 125 20.327 3.335 -12.931 937 1HB LEU 125 2HB LEU 125 19.491 1.279 -15.000 938 2HB LEU 125 1HB LEU 125 19.724 1.005 -13.273 939 HG LEU 125 HG LEU 125 17.859 3.197 -13.882 940 1HD1 LEU 125 1HD1 LEU 125 17.004 0.357 -14.494 941 2HD1 LEU 125 2HD1 LEU 125 17.429 1.526 -15.744 942 3HD1 LEU 125 3HD1 LEU 125 16.052 1.829 -14.686 943 1HD2 LEU 125 1HD2 LEU 125 16.517 1.898 -12.184 944 2HD2 LEU 125 2HD2 LEU 125 18.125 2.356 -11.626 945 3HD2 LEU 125 3HD2 LEU 125 17.813 0.703 -12.158 946 H GLU 126 H GLU 126 22.478 4.308 -13.745 947 HA GLU 126 HA GLU 126 24.249 2.054 -14.463 948 1HB GLU 126 2HB GLU 126 25.321 3.240 -16.294 949 2HB GLU 126 1HB GLU 126 23.591 3.146 -16.627 950 1HG GLU 126 2HG GLU 126 23.286 5.428 -15.761 951 2HG GLU 126 1HG GLU 126 25.009 5.528 -15.394 952 H HIS 127 H HIS 127 23.604 4.321 -12.336 953 HA HIS 127 HA HIS 127 26.436 5.225 -12.019 954 1HB HIS 127 2HB HIS 127 24.152 6.750 -12.025 955 2HB HIS 127 1HB HIS 127 24.387 6.463 -10.301 956 HD2 HIS 127 HD2 HIS 127 27.814 6.503 -10.620 957 HE1 HIS 127 HE1 HIS 127 27.082 10.530 -11.666 958 HE2 HIS 127 HE2 HIS 127 28.853 8.878 -10.910 959 H HIS 128 H HIS 128 26.080 2.655 -11.263 960 HA HIS 128 HA HIS 128 25.645 2.741 -8.308 961 1HB HIS 128 2HB HIS 128 25.655 0.408 -10.248 962 2HB HIS 128 1HB HIS 128 25.479 0.250 -8.500 963 HD2 HIS 128 HD2 HIS 128 22.995 1.312 -7.459 964 HE1 HIS 128 HE1 HIS 128 21.154 1.676 -11.242 965 HE2 HIS 128 HE2 HIS 128 20.761 1.736 -8.736 966 H HIS 129 H HIS 129 27.411 2.511 -7.011 967 HA HIS 129 HA HIS 129 30.058 2.360 -8.153 968 1HB HIS 129 2HB HIS 129 29.859 3.552 -6.102 969 2HB HIS 129 1HB HIS 129 29.001 2.221 -5.325 970 HD2 HIS 129 HD2 HIS 129 31.398 2.557 -3.491 971 HE1 HIS 129 HE1 HIS 129 33.782 0.158 -6.021 972 HE2 HIS 129 HE2 HIS 129 33.608 1.188 -3.710 973 H HIS 130 H HIS 130 29.490 0.285 -5.420 974 HA HIS 130 HA HIS 130 30.433 -2.018 -7.049 975 1HB HIS 130 2HB HIS 130 31.459 -1.224 -4.762 976 2HB HIS 130 1HB HIS 130 30.091 -2.093 -4.064 977 HD2 HIS 130 HD2 HIS 130 30.356 -4.483 -6.603 978 HE1 HIS 130 HE1 HIS 130 33.903 -5.357 -4.483 979 HE2 HIS 130 HE2 HIS 130 32.250 -6.231 -6.198 980 H HIS 131 H HIS 131 27.598 -0.924 -6.953 981 HA HIS 131 HA HIS 131 25.419 -1.791 -6.847 982 1HB HIS 131 2HB HIS 131 27.016 -3.670 -8.073 983 2HB HIS 131 1HB HIS 131 26.280 -4.604 -6.772 984 HD2 HIS 131 HD2 HIS 131 25.393 -4.033 -10.276 985 HE1 HIS 131 HE1 HIS 131 21.654 -3.779 -8.328 986 HE2 HIS 131 HE2 HIS 131 22.802 -4.038 -10.574 987 H HIS 132 HN HIS 132 27.515 -2.001 -4.375 988 HA HIS 132 HA HIS 132 25.698 -3.630 -2.657 989 1HB HIS 132 2HB HIS 132 28.571 -2.747 -2.274 990 2HB HIS 132 1HB HIS 132 27.626 -3.568 -1.032 991 HD2 HIS 132 HD2 HIS 132 29.517 -5.795 -1.436 992 HE1 HIS 132 HE1 HIS 132 27.746 -6.968 -5.087 993 HE2 HIS 132 HE2 HIS 132 29.353 -7.662 -3.251 Start of MODEL 15 1 1H MET 1 1H MET 1 -30.279 13.715 5.235 2 2H MET 1 2H MET 1 -31.029 15.201 5.577 3 3H MET 1 3H MET 1 -30.329 14.930 4.053 4 HA MET 1 HA MET 1 -32.954 14.561 4.710 5 1HB MET 1 2HB MET 1 -31.277 13.451 2.440 6 2HB MET 1 1HB MET 1 -33.041 13.483 2.445 7 1HG MET 1 2HG MET 1 -31.232 15.907 2.674 8 2HG MET 1 1HG MET 1 -32.139 15.433 1.238 9 1HE MET 1 1HE MET 1 -34.487 17.191 0.922 10 2HE MET 1 2HE MET 1 -32.776 17.576 1.093 11 3HE MET 1 3HE MET 1 -33.971 18.468 2.031 12 H SER 2 H SER 2 -30.589 11.949 4.046 13 HA SER 2 HA SER 2 -32.508 10.050 5.317 14 1HB SER 2 2HB SER 2 -31.744 8.426 3.891 15 2HB SER 2 1HB SER 2 -31.288 9.817 2.911 16 HG SER 2 HG SER 2 -29.651 8.486 4.817 17 H HIS 3 H HIS 3 -29.077 11.010 5.291 18 HA HIS 3 HA HIS 3 -28.862 10.496 8.143 19 1HB HIS 3 2HB HIS 3 -28.673 8.191 6.981 20 2HB HIS 3 1HB HIS 3 -27.108 8.763 6.400 21 HD2 HIS 3 HD2 HIS 3 -28.290 6.812 9.336 22 HE1 HIS 3 HE1 HIS 3 -25.073 9.082 10.866 23 HE2 HIS 3 HE2 HIS 3 -26.618 7.121 11.315 24 H GLN 4 H GLN 4 -26.310 10.095 5.706 25 HA GLN 4 HA GLN 4 -25.372 12.861 6.205 26 1HB GLN 4 2HB GLN 4 -23.858 10.352 6.943 27 2HB GLN 4 1HB GLN 4 -23.026 11.874 6.618 28 1HG GLN 4 2HG GLN 4 -25.285 11.637 8.619 29 2HG GLN 4 1HG GLN 4 -23.589 11.445 9.062 30 1HE2 GLN 4 1HE2 GLN 4 -24.374 13.502 10.405 31 2HE2 GLN 4 2HE2 GLN 4 -24.107 14.999 9.650 32 H ASP 5 H ASP 5 -23.629 13.463 4.668 33 HA ASP 5 HA ASP 5 -23.744 11.784 2.192 34 1HB ASP 5 2HB ASP 5 -24.831 13.877 1.749 35 2HB ASP 5 1HB ASP 5 -23.547 14.785 2.550 36 H ASP 6 H ASP 6 -21.740 11.924 0.840 37 HA ASP 6 HA ASP 6 -19.418 11.609 0.667 38 1HB ASP 6 2HB ASP 6 -19.221 13.790 2.756 39 2HB ASP 6 1HB ASP 6 -18.063 13.402 1.483 40 H TYR 7 H TYR 7 -17.552 10.734 1.858 41 HA TYR 7 HA TYR 7 -18.263 9.811 4.611 42 1HB TYR 7 2HB TYR 7 -17.141 8.222 2.298 43 2HB TYR 7 1HB TYR 7 -16.988 7.678 3.968 44 HD1 TYR 7 HD1 TYR 7 -19.050 7.278 5.344 45 HD2 TYR 7 HD2 TYR 7 -19.224 8.080 1.128 46 HE1 TYR 7 HE1 TYR 7 -21.369 6.402 5.273 47 HE2 TYR 7 HE2 TYR 7 -21.544 7.204 1.058 48 HH TYR 7 HH TYR 7 -23.397 6.795 2.503 49 H LEU 8 H LEU 8 -16.359 9.291 5.944 50 HA LEU 8 HA LEU 8 -14.190 11.201 5.462 51 1HB LEU 8 2HB LEU 8 -13.336 10.214 7.671 52 2HB LEU 8 1HB LEU 8 -14.897 11.035 7.733 53 HG LEU 8 HG LEU 8 -15.321 8.283 7.014 54 1HD1 LEU 8 1HD1 LEU 8 -13.786 8.700 9.596 55 2HD1 LEU 8 2HD1 LEU 8 -13.132 7.927 8.153 56 3HD1 LEU 8 3HD1 LEU 8 -14.472 7.181 9.022 57 1HD2 LEU 8 1HD2 LEU 8 -17.052 9.579 8.036 58 2HD2 LEU 8 2HD2 LEU 8 -16.008 10.041 9.381 59 3HD2 LEU 8 3HD2 LEU 8 -16.582 8.378 9.240 60 H SER 9 H SER 9 -13.950 9.564 3.385 61 HA SER 9 HA SER 9 -11.641 7.812 4.116 62 1HB SER 9 2HB SER 9 -12.776 6.724 1.791 63 2HB SER 9 1HB SER 9 -12.830 6.033 3.411 64 HG SER 9 HG SER 9 -14.896 6.543 2.215 65 H VAL 10 H VAL 10 -13.299 9.275 1.292 66 HA VAL 10 HA VAL 10 -11.282 9.323 -0.572 67 HB VAL 10 HB VAL 10 -12.241 11.329 -1.483 68 1HG1 VAL 10 1HG1 VAL 10 -14.651 10.841 -1.350 69 2HG1 VAL 10 2HG1 VAL 10 -14.378 9.850 0.083 70 3HG1 VAL 10 3HG1 VAL 10 -13.723 9.347 -1.475 71 1HG2 VAL 10 1HG2 VAL 10 -13.104 11.805 1.373 72 2HG2 VAL 10 2HG2 VAL 10 -13.887 12.634 0.027 73 3HG2 VAL 10 3HG2 VAL 10 -12.164 12.865 0.322 74 H GLU 11 H GLU 11 -11.425 11.191 2.402 75 HA GLU 11 HA GLU 11 -9.081 12.808 1.705 76 1HB GLU 11 2HB GLU 11 -11.101 13.320 3.366 77 2HB GLU 11 1HB GLU 11 -10.035 12.527 4.527 78 1HG GLU 11 2HG GLU 11 -9.450 14.825 4.645 79 2HG GLU 11 1HG GLU 11 -8.193 14.093 3.646 80 H GLU 12 H GLU 12 -9.707 10.452 4.345 81 HA GLU 12 HA GLU 12 -7.151 10.070 5.285 82 1HB GLU 12 2HB GLU 12 -7.895 8.086 6.190 83 2HB GLU 12 1HB GLU 12 -9.452 8.748 5.698 84 1HG GLU 12 2HG GLU 12 -9.483 6.562 4.819 85 2HG GLU 12 1HG GLU 12 -9.010 7.551 3.438 86 H LEU 13 H LEU 13 -8.426 9.010 2.184 87 HA LEU 13 HA LEU 13 -6.198 7.315 1.479 88 1HB LEU 13 2HB LEU 13 -8.423 8.663 -0.024 89 2HB LEU 13 1HB LEU 13 -7.077 7.964 -0.925 90 HG LEU 13 HG LEU 13 -8.127 6.211 1.192 91 1HD1 LEU 13 1HD1 LEU 13 -10.220 7.327 0.413 92 2HD1 LEU 13 2HD1 LEU 13 -10.173 5.612 0.002 93 3HD1 LEU 13 3HD1 LEU 13 -9.840 6.825 -1.234 94 1HD2 LEU 13 1HD2 LEU 13 -6.485 5.482 -0.481 95 2HD2 LEU 13 2HD2 LEU 13 -7.601 5.899 -1.782 96 3HD2 LEU 13 3HD2 LEU 13 -7.986 4.576 -0.680 97 H ILE 14 H ILE 14 -7.064 10.599 0.334 98 HA ILE 14 HA ILE 14 -4.640 11.176 -0.980 99 HB ILE 14 HB ILE 14 -6.676 12.901 0.423 100 1HG1 ILE 14 2HG1 ILE 14 -5.838 13.036 -2.462 101 2HG1 ILE 14 1HG1 ILE 14 -6.890 11.726 -1.923 102 1HG2 ILE 14 1HG2 ILE 14 -5.418 14.842 -0.679 103 2HG2 ILE 14 2HG2 ILE 14 -4.053 13.736 -0.830 104 3HG2 ILE 14 3HG2 ILE 14 -4.677 14.154 0.766 105 1HD1 ILE 14 1HD1 ILE 14 -7.748 14.313 -0.877 106 2HD1 ILE 14 2HD1 ILE 14 -8.673 13.102 -1.763 107 3HD1 ILE 14 3HD1 ILE 14 -7.711 14.291 -2.640 108 H GLU 15 H GLU 15 -5.475 11.379 2.445 109 HA GLU 15 HA GLU 15 -3.173 12.799 3.342 110 1HB GLU 15 2HB GLU 15 -5.172 10.962 4.588 111 2HB GLU 15 1HB GLU 15 -3.673 11.251 5.472 112 1HG GLU 15 2HG GLU 15 -4.917 13.678 4.341 113 2HG GLU 15 1HG GLU 15 -5.862 12.884 5.601 114 H ILE 16 H ILE 16 -3.732 9.264 3.582 115 HA ILE 16 HA ILE 16 -1.089 8.564 4.251 116 HB ILE 16 HB ILE 16 -3.135 7.022 2.632 117 1HG1 ILE 16 2HG1 ILE 16 -2.343 6.570 5.505 118 2HG1 ILE 16 1HG1 ILE 16 -3.548 7.790 5.092 119 1HG2 ILE 16 1HG2 ILE 16 -0.354 6.454 3.251 120 2HG2 ILE 16 2HG2 ILE 16 -1.479 5.541 2.245 121 3HG2 ILE 16 3HG2 ILE 16 -1.422 5.257 3.985 122 1HD1 ILE 16 1HD1 ILE 16 -4.895 6.092 3.933 123 2HD1 ILE 16 2HD1 ILE 16 -4.609 5.612 5.606 124 3HD1 ILE 16 3HD1 ILE 16 -3.683 4.865 4.304 125 H GLN 17 H GLN 17 -2.520 8.321 0.967 126 HA GLN 17 HA GLN 17 -0.213 7.748 -0.469 127 1HB GLN 17 2HB GLN 17 -2.628 9.417 -1.144 128 2HB GLN 17 1HB GLN 17 -1.309 9.248 -2.305 129 1HG GLN 17 2HG GLN 17 -2.362 6.768 -1.007 130 2HG GLN 17 1HG GLN 17 -3.336 7.520 -2.271 131 1HE2 GLN 17 1HE2 GLN 17 -0.864 5.286 -1.794 132 2HE2 GLN 17 2HE2 GLN 17 -0.180 5.319 -3.348 133 H LYS 18 H LYS 18 -1.364 11.018 0.428 134 HA LYS 18 HA LYS 18 0.797 12.456 -0.735 135 1HB LYS 18 2HB LYS 18 -1.361 13.408 0.233 136 2HB LYS 18 1HB LYS 18 -0.621 13.230 1.824 137 1HG LYS 18 2HG LYS 18 0.911 14.909 1.455 138 2HG LYS 18 1HG LYS 18 0.986 14.603 -0.281 139 1HD LYS 18 2HD LYS 18 -0.147 16.765 0.298 140 2HD LYS 18 1HD LYS 18 -1.174 15.660 -0.615 141 1HE LYS 18 2HE LYS 18 -2.177 16.817 1.490 142 2HE LYS 18 1HE LYS 18 -2.451 15.088 1.276 143 1HZ LYS 18 1HZ LYS 18 -0.448 16.401 3.021 144 2HZ LYS 18 2HZ LYS 18 -0.417 14.740 2.663 145 3HZ LYS 18 3HZ LYS 18 -1.741 15.409 3.491 146 H GLU 19 H GLU 19 0.382 11.520 2.703 147 HA GLU 19 HA GLU 19 2.900 12.306 3.640 148 1HB GLU 19 2HB GLU 19 1.114 11.438 5.108 149 2HB GLU 19 1HB GLU 19 1.347 9.824 4.436 150 1HG GLU 19 2HG GLU 19 2.869 9.497 6.071 151 2HG GLU 19 1HG GLU 19 3.913 10.608 5.185 152 H GLU 20 H GLU 20 2.107 8.939 2.694 153 HA GLU 20 HA GLU 20 4.626 7.826 2.689 154 1HB GLU 20 2HB GLU 20 2.512 6.656 2.009 155 2HB GLU 20 1HB GLU 20 2.635 7.441 0.435 156 1HG GLU 20 2HG GLU 20 4.969 6.436 0.254 157 2HG GLU 20 1HG GLU 20 4.563 5.463 1.667 158 H THR 21 H THR 21 3.263 9.165 -0.344 159 HA THR 21 HA THR 21 5.539 9.247 -1.891 160 HB THR 21 HB THR 21 3.527 11.506 -1.667 161 HG1 THR 21 HG1 THR 21 3.332 9.697 -3.707 162 1HG2 THR 21 1HG2 THR 21 4.213 11.498 -4.239 163 2HG2 THR 21 2HG2 THR 21 5.705 10.816 -3.592 164 3HG2 THR 21 3HG2 THR 21 5.149 12.399 -3.047 165 H ARG 22 H ARG 22 4.538 12.104 0.036 166 HA ARG 22 HA ARG 22 6.717 13.718 -0.152 167 1HB ARG 22 2HB ARG 22 4.738 13.240 1.887 168 2HB ARG 22 1HB ARG 22 6.294 13.558 2.652 169 1HG ARG 22 2HG ARG 22 6.544 15.629 1.405 170 2HG ARG 22 1HG ARG 22 5.079 15.293 0.484 171 1HD ARG 22 2HD ARG 22 5.253 15.798 3.468 172 2HD ARG 22 1HD ARG 22 4.547 16.872 2.261 173 HE ARG 22 HE ARG 22 3.129 14.511 1.955 174 1HH1 ARG 22 1HH2 ARG 22 3.932 16.634 4.550 175 2HH1 ARG 22 2HH2 ARG 22 2.484 16.306 5.442 176 1HH2 ARG 22 2HH1 ARG 22 1.234 14.071 3.104 177 2HH2 ARG 22 1HH1 ARG 22 0.956 14.854 4.624 178 H ASP 23 H ASP 23 6.637 10.656 1.618 179 HA ASP 23 HA ASP 23 9.303 10.974 2.730 180 1HB ASP 23 2HB ASP 23 7.219 9.297 3.271 181 2HB ASP 23 1HB ASP 23 8.267 8.231 2.336 182 H ILE 24 H ILE 24 7.942 9.204 -0.051 183 HA ILE 24 HA ILE 24 10.377 8.014 -0.926 184 HB ILE 24 HB ILE 24 8.068 8.969 -2.645 185 1HG1 ILE 24 2HG1 ILE 24 8.510 6.294 -1.278 186 2HG1 ILE 24 1HG1 ILE 24 7.353 7.516 -0.751 187 1HG2 ILE 24 1HG2 ILE 24 9.394 6.505 -3.420 188 2HG2 ILE 24 2HG2 ILE 24 10.547 7.835 -3.332 189 3HG2 ILE 24 3HG2 ILE 24 9.125 7.968 -4.366 190 1HD1 ILE 24 1HD1 ILE 24 6.761 5.494 -2.498 191 2HD1 ILE 24 2HD1 ILE 24 7.159 6.806 -3.607 192 3HD1 ILE 24 3HD1 ILE 24 5.881 7.019 -2.410 193 H ILE 25 H ILE 25 8.809 11.030 -2.064 194 HA ILE 25 HA ILE 25 10.817 11.880 -3.832 195 HB ILE 25 HB ILE 25 9.355 13.779 -1.992 196 1HG1 ILE 25 2HG1 ILE 25 7.713 12.149 -2.772 197 2HG1 ILE 25 1HG1 ILE 25 7.486 13.661 -3.650 198 1HG2 ILE 25 1HG2 ILE 25 9.338 14.581 -4.706 199 2HG2 ILE 25 2HG2 ILE 25 10.970 14.001 -4.377 200 3HG2 ILE 25 3HG2 ILE 25 10.275 15.286 -3.390 201 1HD1 ILE 25 1HD1 ILE 25 8.462 11.031 -4.629 202 2HD1 ILE 25 2HD1 ILE 25 9.263 12.456 -5.290 203 3HD1 ILE 25 3HD1 ILE 25 7.519 12.264 -5.466 204 H GLN 26 H GLN 26 10.505 12.837 -0.389 205 HA GLN 26 HA GLN 26 12.918 14.250 -0.160 206 1HB GLN 26 2HB GLN 26 11.625 12.438 1.904 207 2HB GLN 26 1HB GLN 26 12.845 13.664 2.249 208 1HG GLN 26 2HG GLN 26 10.514 14.616 0.694 209 2HG GLN 26 1HG GLN 26 10.164 14.136 2.355 210 1HE2 GLN 26 1HE2 GLN 26 12.651 16.052 0.562 211 2HE2 GLN 26 2HE2 GLN 26 12.791 17.252 1.755 212 H ALA 27 H ALA 27 12.379 10.788 -0.324 213 HA ALA 27 HA ALA 27 15.015 10.025 0.595 214 1HB ALA 27 1HB ALA 27 14.235 7.908 0.354 215 2HB ALA 27 2HB ALA 27 13.714 8.198 -1.305 216 3HB ALA 27 3HB ALA 27 12.676 8.670 0.040 217 H LEU 28 H LEU 28 13.625 9.765 -2.699 218 HA LEU 28 HA LEU 28 16.052 9.388 -4.064 219 1HB LEU 28 2HB LEU 28 13.621 10.920 -5.038 220 2HB LEU 28 1HB LEU 28 14.882 10.231 -6.061 221 HG LEU 28 HG LEU 28 13.124 8.635 -4.174 222 1HD1 LEU 28 1HD1 LEU 28 11.742 8.123 -5.953 223 2HD1 LEU 28 2HD1 LEU 28 13.014 8.370 -7.149 224 3HD1 LEU 28 3HD1 LEU 28 12.209 9.759 -6.418 225 1HD2 LEU 28 1HD2 LEU 28 15.453 8.020 -5.940 226 2HD2 LEU 28 2HD2 LEU 28 14.145 6.838 -5.889 227 3HD2 LEU 28 3HD2 LEU 28 14.984 7.288 -4.405 228 H LEU 29 H LEU 29 14.483 12.423 -3.091 229 HA LEU 29 HA LEU 29 16.322 14.174 -4.415 230 1HB LEU 29 2HB LEU 29 14.012 14.533 -3.003 231 2HB LEU 29 1HB LEU 29 15.205 15.090 -1.830 232 HG LEU 29 HG LEU 29 14.446 16.952 -3.251 233 1HD1 LEU 29 1HD1 LEU 29 16.706 17.639 -4.120 234 2HD1 LEU 29 2HD1 LEU 29 17.288 16.019 -3.742 235 3HD1 LEU 29 3HD1 LEU 29 16.726 17.077 -2.449 236 1HD2 LEU 29 1HD2 LEU 29 14.344 15.061 -5.249 237 2HD2 LEU 29 2HD2 LEU 29 15.800 15.961 -5.673 238 3HD2 LEU 29 3HD2 LEU 29 14.259 16.803 -5.512 239 H GLU 30 H GLU 30 16.173 13.219 -0.960 240 HA GLU 30 HA GLU 30 18.578 14.410 -0.129 241 1HB GLU 30 2HB GLU 30 17.084 11.957 0.765 242 2HB GLU 30 1HB GLU 30 18.644 12.349 1.488 243 1HG GLU 30 2HG GLU 30 17.862 14.324 2.441 244 2HG GLU 30 1HG GLU 30 16.560 14.497 1.263 245 H ASP 31 H ASP 31 18.072 11.556 -2.078 246 HA ASP 31 HA ASP 31 20.713 10.435 -1.733 247 1HB ASP 31 2HB ASP 31 18.338 9.887 -3.329 248 2HB ASP 31 1HB ASP 31 19.815 9.668 -4.268 249 H GLY 32 H GLY 32 19.291 12.745 -4.019 250 1HA GLY 32 2HA GLY 32 20.959 14.526 -4.742 251 2HA GLY 32 1HA GLY 32 22.038 13.184 -5.123 252 H SER 33 H SER 33 18.701 12.640 -5.745 253 HA SER 33 HA SER 33 18.956 11.956 -8.427 254 1HB SER 33 2HB SER 33 16.522 12.506 -8.638 255 2HB SER 33 1HB SER 33 16.892 11.550 -7.205 256 HG SER 33 HG SER 33 15.518 13.413 -6.842 257 H ASP 34 H ASP 34 18.030 13.220 -10.350 258 HA ASP 34 HA ASP 34 18.927 16.073 -10.186 259 1HB ASP 34 2HB ASP 34 19.286 13.989 -12.334 260 2HB ASP 34 1HB ASP 34 19.332 15.708 -12.730 261 HA PRO 35 HA PRO 35 14.391 16.220 -10.975 262 1HB PRO 35 2HB PRO 35 15.017 19.086 -10.467 263 2HB PRO 35 1HB PRO 35 13.741 18.069 -9.774 264 1HG PRO 35 2HG PRO 35 15.905 18.771 -8.374 265 2HG PRO 35 1HG PRO 35 15.119 17.197 -8.168 266 1HD PRO 35 2HD PRO 35 17.687 17.852 -9.539 267 2HD PRO 35 1HD PRO 35 17.208 16.369 -8.684 268 H ASP 36 H ASP 36 17.020 18.100 -12.377 269 HA ASP 36 HA ASP 36 15.362 19.222 -14.506 270 1HB ASP 36 2HB ASP 36 17.856 19.555 -15.451 271 2HB ASP 36 1HB ASP 36 17.176 20.603 -14.205 272 H ALA 37 H ALA 37 16.025 16.140 -13.973 273 HA ALA 37 HA ALA 37 16.796 15.509 -16.785 274 1HB ALA 37 1HB ALA 37 17.950 13.768 -15.937 275 2HB ALA 37 2HB ALA 37 16.540 13.203 -15.040 276 3HB ALA 37 3HB ALA 37 17.611 14.411 -14.330 277 H LEU 38 H LEU 38 14.057 16.216 -15.355 278 HA LEU 38 HA LEU 38 11.815 15.629 -15.722 279 1HB LEU 38 2HB LEU 38 12.705 15.613 -18.112 280 2HB LEU 38 1HB LEU 38 12.877 13.866 -17.942 281 HG LEU 38 HG LEU 38 10.380 13.988 -17.124 282 1HD1 LEU 38 1HD1 LEU 38 10.253 16.284 -19.042 283 2HD1 LEU 38 2HD1 LEU 38 10.668 16.621 -17.362 284 3HD1 LEU 38 3HD1 LEU 38 9.136 15.841 -17.751 285 1HD2 LEU 38 1HD2 LEU 38 11.513 14.060 -19.897 286 2HD2 LEU 38 2HD2 LEU 38 9.760 14.087 -19.708 287 3HD2 LEU 38 3HD2 LEU 38 10.696 12.742 -19.057 288 H TYR 39 H TYR 39 10.369 13.990 -15.080 289 HA TYR 39 HA TYR 39 11.601 11.351 -14.406 290 1HB TYR 39 2HB TYR 39 10.346 13.334 -12.626 291 2HB TYR 39 1HB TYR 39 9.701 11.703 -12.448 292 HD1 TYR 39 HD1 TYR 39 11.089 9.870 -11.661 293 HD2 TYR 39 HD2 TYR 39 12.724 13.804 -12.202 294 HE1 TYR 39 HE1 TYR 39 13.111 9.203 -10.390 295 HE2 TYR 39 HE2 TYR 39 14.747 13.138 -10.929 296 HH TYR 39 HH TYR 39 15.200 9.798 -9.821 297 H GLU 40 H GLU 40 10.068 9.581 -14.386 298 HA GLU 40 HA GLU 40 7.556 10.208 -15.887 299 1HB GLU 40 2HB GLU 40 7.873 7.610 -16.431 300 2HB GLU 40 1HB GLU 40 8.674 8.856 -17.389 301 1HG GLU 40 2HG GLU 40 10.716 8.616 -16.101 302 2HG GLU 40 1HG GLU 40 9.927 7.501 -14.985 303 H ILE 41 H ILE 41 5.768 9.927 -14.653 304 HA ILE 41 HA ILE 41 5.942 8.171 -12.263 305 HB ILE 41 HB ILE 41 3.547 9.847 -12.975 306 1HG1 ILE 41 2HG1 ILE 41 5.323 11.428 -13.270 307 2HG1 ILE 41 1HG1 ILE 41 4.699 11.696 -11.642 308 1HG2 ILE 41 1HG2 ILE 41 2.942 9.348 -10.863 309 2HG2 ILE 41 2HG2 ILE 41 4.502 9.877 -10.232 310 3HG2 ILE 41 3HG2 ILE 41 4.300 8.224 -10.811 311 1HD1 ILE 41 1HD1 ILE 41 7.296 10.494 -12.504 312 2HD1 ILE 41 2HD1 ILE 41 6.555 9.884 -11.025 313 3HD1 ILE 41 3HD1 ILE 41 6.958 11.595 -11.168 314 H GLU 42 H GLU 42 4.208 6.605 -11.871 315 HA GLU 42 HA GLU 42 2.651 5.837 -14.290 316 1HB GLU 42 2HB GLU 42 4.612 4.411 -14.363 317 2HB GLU 42 1HB GLU 42 4.424 3.997 -12.658 318 1HG GLU 42 2HG GLU 42 2.731 2.518 -13.066 319 2HG GLU 42 1HG GLU 42 2.053 3.498 -14.367 320 H HIS 43 H HIS 43 0.555 5.530 -13.724 321 HA HIS 43 HA HIS 43 -0.039 4.967 -10.848 322 1HB HIS 43 2HB HIS 43 -1.817 6.236 -12.954 323 2HB HIS 43 1HB HIS 43 -2.220 6.019 -11.251 324 HD2 HIS 43 HD2 HIS 43 -0.514 8.624 -13.476 325 HE1 HIS 43 HE1 HIS 43 0.613 9.556 -9.514 326 HE2 HIS 43 HE2 HIS 43 0.600 10.387 -11.911 327 H HIS 44 H HIS 44 -1.174 3.119 -10.366 328 HA HIS 44 HA HIS 44 -1.897 1.356 -12.652 329 1HB HIS 44 2HB HIS 44 -1.170 0.924 -9.785 330 2HB HIS 44 1HB HIS 44 -2.261 -0.241 -10.535 331 HD2 HIS 44 HD2 HIS 44 -1.051 -1.069 -13.256 332 HE1 HIS 44 HE1 HIS 44 2.818 -0.936 -11.570 333 HE2 HIS 44 HE2 HIS 44 1.445 -1.775 -13.530 334 H LEU 45 H LEU 45 -4.024 1.207 -13.214 335 HA LEU 45 HA LEU 45 -6.062 1.708 -11.085 336 1HB LEU 45 2HB LEU 45 -6.309 2.680 -13.943 337 2HB LEU 45 1HB LEU 45 -7.379 3.050 -12.591 338 HG LEU 45 HG LEU 45 -5.044 3.901 -11.543 339 1HD1 LEU 45 1HD1 LEU 45 -3.671 4.957 -13.223 340 2HD1 LEU 45 2HD1 LEU 45 -4.814 4.534 -14.498 341 3HD1 LEU 45 3HD1 LEU 45 -3.876 3.271 -13.698 342 1HD2 LEU 45 1HD2 LEU 45 -7.112 5.221 -11.734 343 2HD2 LEU 45 2HD2 LEU 45 -6.817 5.454 -13.457 344 3HD2 LEU 45 3HD2 LEU 45 -5.730 6.175 -12.270 345 H PHE 46 H PHE 46 -7.732 0.241 -11.094 346 HA PHE 46 HA PHE 46 -7.881 -1.616 -13.434 347 1HB PHE 46 2HB PHE 46 -8.893 -2.988 -11.205 348 2HB PHE 46 1HB PHE 46 -7.348 -3.276 -12.004 349 HD1 PHE 46 HD1 PHE 46 -8.819 -2.578 -8.921 350 HD2 PHE 46 HD2 PHE 46 -5.482 -1.411 -11.361 351 HE1 PHE 46 HE1 PHE 46 -7.625 -1.769 -6.903 352 HE2 PHE 46 HE2 PHE 46 -4.288 -0.603 -9.343 353 HZ PHE 46 HZ PHE 46 -5.360 -0.781 -7.114 354 H ALA 47 H ALA 47 -10.021 -2.446 -13.893 355 HA ALA 47 HA ALA 47 -12.230 -0.911 -12.590 356 1HB ALA 47 1HB ALA 47 -11.802 0.168 -14.724 357 2HB ALA 47 2HB ALA 47 -13.302 -0.751 -14.855 358 3HB ALA 47 3HB ALA 47 -11.814 -1.388 -15.556 359 H GLU 48 H GLU 48 -14.422 -1.985 -13.514 360 HA GLU 48 HA GLU 48 -14.082 -4.917 -13.067 361 1HB GLU 48 2HB GLU 48 -15.508 -3.533 -11.466 362 2HB GLU 48 1HB GLU 48 -16.640 -3.323 -12.801 363 1HG GLU 48 2HG GLU 48 -16.383 -5.970 -12.963 364 2HG GLU 48 1HG GLU 48 -15.967 -5.791 -11.258 365 H ASP 49 H ASP 49 -15.535 -2.498 -15.190 366 HA ASP 49 HA ASP 49 -16.324 -4.720 -17.033 367 1HB ASP 49 2HB ASP 49 -17.795 -2.468 -16.083 368 2HB ASP 49 1HB ASP 49 -17.495 -2.216 -17.804 369 H PHE 50 H PHE 50 -15.500 -4.685 -19.111 370 HA PHE 50 HA PHE 50 -13.122 -3.195 -19.642 371 1HB PHE 50 2HB PHE 50 -13.540 -5.289 -20.798 372 2HB PHE 50 1HB PHE 50 -15.015 -4.642 -21.517 373 HD1 PHE 50 HD1 PHE 50 -14.942 -3.104 -23.385 374 HD2 PHE 50 HD2 PHE 50 -11.322 -4.470 -21.518 375 HE1 PHE 50 HE1 PHE 50 -13.623 -2.197 -25.279 376 HE2 PHE 50 HE2 PHE 50 -10.003 -3.563 -23.413 377 HZ PHE 50 HZ PHE 50 -11.154 -2.426 -25.294 378 H ASP 51 H ASP 51 -16.516 -2.588 -20.384 379 HA ASP 51 HA ASP 51 -16.150 -0.479 -22.267 380 1HB ASP 51 2HB ASP 51 -18.363 -0.896 -20.233 381 2HB ASP 51 1HB ASP 51 -18.440 0.225 -21.593 382 H LYS 52 H LYS 52 -17.144 -0.031 -18.852 383 HA LYS 52 HA LYS 52 -16.598 2.684 -18.624 384 1HB LYS 52 2HB LYS 52 -17.506 1.046 -16.840 385 2HB LYS 52 1HB LYS 52 -15.814 0.766 -16.429 386 1HG LYS 52 2HG LYS 52 -15.955 2.596 -15.113 387 2HG LYS 52 1HG LYS 52 -16.011 3.542 -16.600 388 1HD LYS 52 2HD LYS 52 -18.484 2.330 -15.349 389 2HD LYS 52 1HD LYS 52 -17.920 3.956 -14.961 390 1HE LYS 52 2HE LYS 52 -17.992 4.509 -17.401 391 2HE LYS 52 1HE LYS 52 -18.699 2.921 -17.702 392 1HZ LYS 52 1HZ LYS 52 -20.533 3.496 -16.244 393 2HZ LYS 52 2HZ LYS 52 -20.399 4.626 -17.507 394 3HZ LYS 52 3HZ LYS 52 -19.854 5.022 -15.947 395 H LEU 53 H LEU 53 -14.281 0.006 -18.174 396 HA LEU 53 HA LEU 53 -11.992 1.375 -17.431 397 1HB LEU 53 2HB LEU 53 -12.309 -1.134 -18.034 398 2HB LEU 53 1HB LEU 53 -11.878 -0.641 -19.671 399 HG LEU 53 HG LEU 53 -10.157 0.175 -17.340 400 1HD1 LEU 53 1HD1 LEU 53 -8.768 -1.898 -18.042 401 2HD1 LEU 53 2HD1 LEU 53 -10.274 -2.494 -18.740 402 3HD1 LEU 53 3HD1 LEU 53 -10.173 -2.163 -17.011 403 1HD2 LEU 53 1HD2 LEU 53 -9.593 1.268 -19.381 404 2HD2 LEU 53 2HD2 LEU 53 -9.814 -0.207 -20.321 405 3HD2 LEU 53 3HD2 LEU 53 -8.431 -0.051 -19.235 406 H GLU 54 H GLU 54 -13.239 1.032 -20.763 407 HA GLU 54 HA GLU 54 -11.182 2.662 -21.949 408 1HB GLU 54 2HB GLU 54 -12.563 1.098 -23.271 409 2HB GLU 54 1HB GLU 54 -13.992 2.074 -22.931 410 1HG GLU 54 2HG GLU 54 -13.362 3.749 -24.370 411 2HG GLU 54 1HG GLU 54 -11.640 3.497 -24.076 412 H LYS 55 H LYS 55 -14.189 3.370 -20.316 413 HA LYS 55 HA LYS 55 -14.461 6.077 -21.310 414 1HB LYS 55 2HB LYS 55 -15.562 4.722 -18.830 415 2HB LYS 55 1HB LYS 55 -16.019 6.341 -19.360 416 1HG LYS 55 2HG LYS 55 -16.201 4.087 -21.326 417 2HG LYS 55 1HG LYS 55 -17.451 4.233 -20.090 418 1HD LYS 55 2HD LYS 55 -16.657 6.688 -21.611 419 2HD LYS 55 1HD LYS 55 -17.693 5.501 -22.407 420 1HE LYS 55 2HE LYS 55 -19.239 5.601 -20.444 421 2HE LYS 55 1HE LYS 55 -18.240 6.888 -19.767 422 1HZ LYS 55 1HZ LYS 55 -20.310 7.397 -21.286 423 2HZ LYS 55 2HZ LYS 55 -19.165 7.190 -22.523 424 3HZ LYS 55 3HZ LYS 55 -18.922 8.370 -21.324 425 H ALA 56 H ALA 56 -13.293 4.761 -18.185 426 HA ALA 56 HA ALA 56 -12.385 7.325 -17.229 427 1HB ALA 56 1HB ALA 56 -12.884 5.292 -15.800 428 2HB ALA 56 2HB ALA 56 -11.357 6.094 -15.432 429 3HB ALA 56 3HB ALA 56 -11.365 4.603 -16.374 430 H ALA 57 H ALA 57 -10.805 4.668 -18.974 431 HA ALA 57 HA ALA 57 -8.143 5.748 -18.790 432 1HB ALA 57 1HB ALA 57 -9.507 3.711 -20.518 433 2HB ALA 57 2HB ALA 57 -8.131 3.512 -19.432 434 3HB ALA 57 3HB ALA 57 -7.915 4.302 -20.995 435 H VAL 58 H VAL 58 -10.729 6.072 -21.214 436 HA VAL 58 HA VAL 58 -9.268 7.546 -23.147 437 HB VAL 58 HB VAL 58 -12.170 7.378 -22.392 438 1HG1 VAL 58 1HG1 VAL 58 -10.872 9.405 -24.213 439 2HG1 VAL 58 2HG1 VAL 58 -12.093 9.669 -22.970 440 3HG1 VAL 58 3HG1 VAL 58 -12.529 8.867 -24.478 441 1HG2 VAL 58 1HG2 VAL 58 -12.367 6.278 -24.476 442 2HG2 VAL 58 2HG2 VAL 58 -10.816 5.713 -23.854 443 3HG2 VAL 58 3HG2 VAL 58 -10.865 6.976 -25.085 444 H GLU 59 H GLU 59 -11.478 8.883 -20.658 445 HA GLU 59 HA GLU 59 -10.846 11.591 -20.998 446 1HB GLU 59 2HB GLU 59 -12.557 10.453 -19.400 447 2HB GLU 59 1HB GLU 59 -11.222 10.424 -18.247 448 1HG GLU 59 2HG GLU 59 -11.739 12.551 -17.718 449 2HG GLU 59 1HG GLU 59 -11.186 13.015 -19.328 450 H ALA 60 H ALA 60 -9.071 9.108 -19.201 451 HA ALA 60 HA ALA 60 -7.202 10.868 -17.934 452 1HB ALA 60 1HB ALA 60 -6.724 8.016 -18.848 453 2HB ALA 60 2HB ALA 60 -7.534 8.453 -17.344 454 3HB ALA 60 3HB ALA 60 -5.841 8.881 -17.590 455 H PHE 61 H PHE 61 -6.831 8.897 -20.906 456 HA PHE 61 HA PHE 61 -4.311 9.832 -21.700 457 1HB PHE 61 2HB PHE 61 -5.268 8.071 -22.977 458 2HB PHE 61 1HB PHE 61 -6.730 9.000 -23.308 459 HD1 PHE 61 HD1 PHE 61 -3.055 8.894 -23.952 460 HD2 PHE 61 HD2 PHE 61 -6.872 10.419 -25.197 461 HE1 PHE 61 HE1 PHE 61 -2.024 9.783 -26.025 462 HE2 PHE 61 HE2 PHE 61 -5.842 11.308 -27.271 463 HZ PHE 61 HZ PHE 61 -3.416 10.989 -27.685 464 H LYS 62 H LYS 62 -7.498 11.244 -22.511 465 HA LYS 62 HA LYS 62 -6.615 13.405 -24.069 466 1HB LYS 62 2HB LYS 62 -9.015 12.779 -23.593 467 2HB LYS 62 1HB LYS 62 -8.840 13.553 -22.017 468 1HG LYS 62 2HG LYS 62 -7.942 15.578 -23.462 469 2HG LYS 62 1HG LYS 62 -8.867 14.796 -24.745 470 1HD LYS 62 2HD LYS 62 -10.397 16.305 -23.732 471 2HD LYS 62 1HD LYS 62 -10.816 14.726 -23.066 472 1HE LYS 62 2HE LYS 62 -8.769 15.842 -21.419 473 2HE LYS 62 1HE LYS 62 -10.004 17.080 -21.656 474 1HZ LYS 62 1HZ LYS 62 -10.369 15.494 -19.756 475 2HZ LYS 62 2HZ LYS 62 -10.665 14.290 -20.918 476 3HZ LYS 62 3HZ LYS 62 -11.666 15.661 -20.835 477 H MET 63 H MET 63 -7.183 13.445 -20.528 478 HA MET 63 HA MET 63 -6.337 15.995 -19.896 479 1HB MET 63 2HB MET 63 -5.588 13.446 -18.428 480 2HB MET 63 1HB MET 63 -5.495 15.071 -17.748 481 1HG MET 63 2HG MET 63 -8.068 14.990 -18.744 482 2HG MET 63 1HG MET 63 -7.837 13.346 -18.151 483 1HE MET 63 1HE MET 63 -8.356 12.658 -16.104 484 2HE MET 63 2HE MET 63 -9.760 13.711 -16.255 485 3HE MET 63 3HE MET 63 -8.875 13.648 -14.733 486 H GLY 64 H GLY 64 -4.243 13.213 -20.636 487 1HA GLY 64 2HA GLY 64 -2.212 14.146 -22.020 488 2HA GLY 64 1HA GLY 64 -1.881 15.022 -20.524 489 H PHE 65 H PHE 65 -3.296 11.890 -20.207 490 HA PHE 65 HA PHE 65 -0.724 10.896 -19.093 491 1HB PHE 65 2HB PHE 65 -3.584 9.932 -18.815 492 2HB PHE 65 1HB PHE 65 -2.198 9.068 -18.148 493 HD1 PHE 65 HD1 PHE 65 -3.559 12.570 -18.257 494 HD2 PHE 65 HD2 PHE 65 -1.631 9.511 -15.938 495 HE1 PHE 65 HE1 PHE 65 -3.589 14.056 -16.272 496 HE2 PHE 65 HE2 PHE 65 -1.661 10.998 -13.953 497 HZ PHE 65 HZ PHE 65 -2.640 13.271 -14.120 498 H GLU 66 H GLU 66 -0.141 8.605 -19.579 499 HA GLU 66 HA GLU 66 -0.930 7.887 -22.375 500 1HB GLU 66 2HB GLU 66 1.616 7.129 -20.908 501 2HB GLU 66 1HB GLU 66 1.256 6.851 -22.612 502 1HG GLU 66 2HG GLU 66 1.017 9.355 -22.876 503 2HG GLU 66 1HG GLU 66 1.642 9.520 -21.236 504 H VAL 67 H VAL 67 -2.715 6.588 -21.736 505 HA VAL 67 HA VAL 67 -2.633 4.610 -19.681 506 HB VAL 67 HB VAL 67 -4.707 5.499 -20.811 507 1HG1 VAL 67 1HG1 VAL 67 -3.835 5.290 -23.134 508 2HG1 VAL 67 2HG1 VAL 67 -5.382 4.468 -22.927 509 3HG1 VAL 67 3HG1 VAL 67 -3.887 3.534 -22.973 510 1HG2 VAL 67 1HG2 VAL 67 -5.911 3.540 -20.370 511 2HG2 VAL 67 2HG2 VAL 67 -4.417 3.250 -19.478 512 3HG2 VAL 67 3HG2 VAL 67 -4.661 2.501 -21.055 513 H LEU 68 H LEU 68 -2.344 2.332 -19.831 514 HA LEU 68 HA LEU 68 -0.950 1.392 -22.304 515 1HB LEU 68 2HB LEU 68 0.472 1.825 -20.125 516 2HB LEU 68 1HB LEU 68 -0.236 0.297 -19.600 517 HG LEU 68 HG LEU 68 0.533 -0.688 -21.814 518 1HD1 LEU 68 1HD1 LEU 68 1.154 0.891 -23.325 519 2HD1 LEU 68 2HD1 LEU 68 2.688 0.897 -22.455 520 3HD1 LEU 68 3HD1 LEU 68 1.453 2.098 -22.075 521 1HD2 LEU 68 1HD2 LEU 68 1.734 -1.036 -19.660 522 2HD2 LEU 68 2HD2 LEU 68 2.688 0.414 -19.980 523 3HD2 LEU 68 3HD2 LEU 68 2.840 -0.993 -21.035 524 H GLU 69 H GLU 69 -1.602 -0.641 -23.015 525 HA GLU 69 HA GLU 69 -4.095 -1.673 -22.473 526 1HB GLU 69 2HB GLU 69 -1.570 -3.193 -23.177 527 2HB GLU 69 1HB GLU 69 -3.180 -3.914 -23.206 528 1HG GLU 69 2HG GLU 69 -3.584 -1.606 -24.636 529 2HG GLU 69 1HG GLU 69 -1.934 -2.028 -25.098 530 H ALA 70 H ALA 70 -4.885 -3.432 -21.145 531 HA ALA 70 HA ALA 70 -3.405 -3.635 -18.562 532 1HB ALA 70 1HB ALA 70 -5.564 -4.213 -17.570 533 2HB ALA 70 2HB ALA 70 -6.316 -4.246 -19.165 534 3HB ALA 70 3HB ALA 70 -5.728 -2.723 -18.498 535 H GLU 71 H GLU 71 -3.720 -5.816 -17.433 536 HA GLU 71 HA GLU 71 -3.830 -8.053 -19.407 537 1HB GLU 71 2HB GLU 71 -1.526 -7.977 -19.135 538 2HB GLU 71 1HB GLU 71 -1.636 -7.331 -17.498 539 1HG GLU 71 2HG GLU 71 -2.058 -9.426 -16.555 540 2HG GLU 71 1HG GLU 71 -2.655 -10.098 -18.072 541 H GLU 72 H GLU 72 -5.635 -9.142 -18.743 542 HA GLU 72 HA GLU 72 -6.992 -9.133 -16.371 543 1HB GLU 72 2HB GLU 72 -7.637 -10.520 -18.328 544 2HB GLU 72 1HB GLU 72 -6.351 -11.659 -17.927 545 1HG GLU 72 2HG GLU 72 -7.496 -11.717 -15.570 546 2HG GLU 72 1HG GLU 72 -8.897 -11.084 -16.434 547 H THR 73 H THR 73 -6.208 -9.237 -14.328 548 HA THR 73 HA THR 73 -4.069 -11.252 -13.756 549 HB THR 73 HB THR 73 -3.187 -9.022 -13.432 550 HG1 THR 73 HG1 THR 73 -3.078 -9.086 -11.016 551 1HG2 THR 73 1HG2 THR 73 -5.545 -8.026 -13.210 552 2HG2 THR 73 2HG2 THR 73 -4.286 -7.319 -12.199 553 3HG2 THR 73 3HG2 THR 73 -5.439 -8.458 -11.503 554 H GLU 74 H GLU 74 -4.919 -9.979 -10.887 555 HA GLU 74 HA GLU 74 -7.476 -11.110 -10.306 556 1HB GLU 74 2HB GLU 74 -6.670 -13.116 -9.007 557 2HB GLU 74 1HB GLU 74 -6.477 -13.269 -10.754 558 1HG GLU 74 2HG GLU 74 -4.110 -12.092 -10.084 559 2HG GLU 74 1HG GLU 74 -4.417 -13.059 -8.641 560 H ASP 75 H ASP 75 -8.016 -10.806 -8.077 561 HA ASP 75 HA ASP 75 -6.302 -8.866 -6.710 562 1HB ASP 75 2HB ASP 75 -8.843 -8.780 -6.758 563 2HB ASP 75 1HB ASP 75 -8.830 -10.158 -5.656 564 H GLU 76 H GLU 76 -4.789 -11.093 -6.859 565 HA GLU 76 HA GLU 76 -3.625 -12.684 -5.583 566 1HB GLU 76 2HB GLU 76 -3.696 -10.417 -4.144 567 2HB GLU 76 1HB GLU 76 -4.609 -11.458 -3.051 568 1HG GLU 76 2HG GLU 76 -2.759 -13.139 -3.186 569 2HG GLU 76 1HG GLU 76 -1.833 -11.986 -4.146 570 H ASP 77 H ASP 77 -6.880 -12.593 -5.713 571 HA ASP 77 HA ASP 77 -7.200 -14.874 -3.804 572 1HB ASP 77 2HB ASP 77 -8.913 -12.585 -4.520 573 2HB ASP 77 1HB ASP 77 -9.755 -14.136 -4.501 574 H GLY 78 H GLY 78 -7.909 -13.721 -7.086 575 1HA GLY 78 2HA GLY 78 -7.483 -15.653 -8.762 576 2HA GLY 78 1HA GLY 78 -8.702 -16.507 -7.816 577 H ASN 79 H ASN 79 -9.590 -13.332 -7.735 578 HA ASN 79 HA ASN 79 -11.850 -13.729 -9.464 579 1HB ASN 79 2HB ASN 79 -11.330 -11.982 -7.480 580 2HB ASN 79 1HB ASN 79 -10.963 -10.951 -8.864 581 1HD2 ASN 79 1HD2 ASN 79 -13.139 -10.082 -7.529 582 2HD2 ASN 79 2HD2 ASN 79 -14.585 -10.522 -8.301 583 H LYS 80 H LYS 80 -12.284 -12.067 -11.311 584 HA LYS 80 HA LYS 80 -9.804 -11.877 -12.974 585 1HB LYS 80 2HB LYS 80 -12.651 -12.154 -13.976 586 2HB LYS 80 1HB LYS 80 -11.172 -12.249 -14.933 587 1HG LYS 80 2HG LYS 80 -11.011 -14.450 -14.504 588 2HG LYS 80 1HG LYS 80 -10.976 -14.123 -12.771 589 1HD LYS 80 2HD LYS 80 -12.872 -15.523 -13.094 590 2HD LYS 80 1HD LYS 80 -13.531 -13.895 -12.927 591 1HE LYS 80 2HE LYS 80 -13.691 -13.675 -15.357 592 2HE LYS 80 1HE LYS 80 -12.945 -15.258 -15.572 593 1HZ LYS 80 1HZ LYS 80 -15.655 -14.582 -14.854 594 2HZ LYS 80 2HZ LYS 80 -14.971 -15.803 -13.890 595 3HZ LYS 80 3HZ LYS 80 -15.043 -15.989 -15.577 596 H LEU 81 H LEU 81 -9.210 -9.821 -13.433 597 HA LEU 81 HA LEU 81 -11.259 -7.771 -13.952 598 1HB LEU 81 2HB LEU 81 -10.436 -6.213 -12.275 599 2HB LEU 81 1HB LEU 81 -10.894 -7.714 -11.470 600 HG LEU 81 HG LEU 81 -8.303 -8.264 -12.045 601 1HD1 LEU 81 1HD1 LEU 81 -6.937 -6.415 -12.105 602 2HD1 LEU 81 2HD1 LEU 81 -8.037 -5.440 -11.131 603 3HD1 LEU 81 3HD1 LEU 81 -8.367 -5.696 -12.845 604 1HD2 LEU 81 1HD2 LEU 81 -7.838 -7.674 -9.693 605 2HD2 LEU 81 2HD2 LEU 81 -9.418 -8.444 -9.841 606 3HD2 LEU 81 3HD2 LEU 81 -9.304 -6.695 -9.646 607 H LEU 82 H LEU 82 -10.250 -5.786 -14.858 608 HA LEU 82 HA LEU 82 -7.691 -6.469 -16.226 609 1HB LEU 82 2HB LEU 82 -9.851 -4.453 -16.908 610 2HB LEU 82 1HB LEU 82 -8.352 -4.650 -17.818 611 HG LEU 82 HG LEU 82 -9.308 -7.245 -17.610 612 1HD1 LEU 82 1HD1 LEU 82 -11.599 -5.306 -18.028 613 2HD1 LEU 82 2HD1 LEU 82 -11.464 -6.537 -16.772 614 3HD1 LEU 82 3HD1 LEU 82 -11.671 -7.015 -18.458 615 1HD2 LEU 82 1HD2 LEU 82 -8.384 -6.568 -19.653 616 2HD2 LEU 82 2HD2 LEU 82 -9.383 -5.116 -19.735 617 3HD2 LEU 82 3HD2 LEU 82 -10.096 -6.698 -20.053 618 H CYS 83 H CYS 83 -5.908 -5.141 -16.018 619 HA CYS 83 HA CYS 83 -6.221 -2.727 -14.284 620 1HB CYS 83 2HB CYS 83 -5.125 -4.281 -12.877 621 2HB CYS 83 1HB CYS 83 -4.145 -4.914 -14.199 622 HG CYS 83 HG CYS 83 -2.583 -2.935 -14.031 623 H PHE 84 H PHE 84 -6.023 -1.112 -15.818 624 HA PHE 84 HA PHE 84 -3.943 -1.380 -17.906 625 1HB PHE 84 2HB PHE 84 -4.906 0.832 -18.700 626 2HB PHE 84 1HB PHE 84 -6.029 -0.525 -18.728 627 HD1 PHE 84 HD1 PHE 84 -5.501 2.805 -17.594 628 HD2 PHE 84 HD2 PHE 84 -7.494 -0.863 -16.579 629 HE1 PHE 84 HE1 PHE 84 -7.049 4.056 -16.116 630 HE2 PHE 84 HE2 PHE 84 -9.040 0.389 -15.098 631 HZ PHE 84 HZ PHE 84 -8.819 2.848 -14.868 632 H ASP 85 H ASP 85 -2.315 0.308 -18.182 633 HA ASP 85 HA ASP 85 -1.655 1.625 -15.575 634 1HB ASP 85 2HB ASP 85 0.424 1.132 -17.673 635 2HB ASP 85 1HB ASP 85 0.590 1.163 -15.917 636 H ALA 86 H ALA 86 -0.921 3.775 -15.618 637 HA ALA 86 HA ALA 86 -1.071 5.177 -18.250 638 1HB ALA 86 1HB ALA 86 -1.934 6.938 -16.161 639 2HB ALA 86 2HB ALA 86 -2.884 5.456 -16.059 640 3HB ALA 86 3HB ALA 86 -2.848 6.378 -17.562 641 H THR 87 H THR 87 0.614 6.604 -18.561 642 HA THR 87 HA THR 87 2.422 7.048 -16.218 643 HB THR 87 HB THR 87 3.887 7.633 -18.510 644 HG1 THR 87 HG1 THR 87 1.886 6.384 -19.393 645 1HG2 THR 87 1HG2 THR 87 3.661 5.172 -16.775 646 2HG2 THR 87 2HG2 THR 87 4.860 6.463 -16.684 647 3HG2 THR 87 3HG2 THR 87 4.892 5.323 -18.029 648 H MET 88 H MET 88 3.641 9.154 -16.323 649 HA MET 88 HA MET 88 2.517 11.295 -17.963 650 1HB MET 88 2HB MET 88 0.824 11.029 -16.128 651 2HB MET 88 1HB MET 88 2.095 11.402 -14.963 652 1HG MET 88 2HG MET 88 2.438 13.592 -15.959 653 2HG MET 88 1HG MET 88 1.295 13.223 -17.251 654 1HE MET 88 1HE MET 88 0.476 15.637 -16.465 655 2HE MET 88 2HE MET 88 -1.135 15.561 -15.756 656 3HE MET 88 3HE MET 88 -0.756 14.582 -17.172 657 H GLN 89 H GLN 89 4.417 12.258 -18.511 658 HA GLN 89 HA GLN 89 6.764 12.184 -16.827 659 1HB GLN 89 2HB GLN 89 6.059 13.748 -19.321 660 2HB GLN 89 1HB GLN 89 7.625 13.890 -18.520 661 1HG GLN 89 2HG GLN 89 7.617 12.211 -20.384 662 2HG GLN 89 1HG GLN 89 8.056 11.519 -18.823 663 1HE2 GLN 89 1HE2 GLN 89 5.578 11.568 -21.327 664 2HE2 GLN 89 2HE2 GLN 89 4.626 10.326 -20.668 665 H SER 90 H SER 90 7.527 13.732 -15.402 666 HA SER 90 HA SER 90 6.257 16.391 -15.299 667 1HB SER 90 2HB SER 90 6.057 15.842 -12.670 668 2HB SER 90 1HB SER 90 4.726 15.580 -13.794 669 HG SER 90 HG SER 90 5.323 13.755 -12.409 670 H ALA 91 H ALA 91 7.254 17.116 -12.758 671 HA ALA 91 HA ALA 91 10.197 16.805 -13.205 672 1HB ALA 91 1HB ALA 91 10.311 19.072 -12.006 673 2HB ALA 91 2HB ALA 91 8.568 19.170 -12.258 674 3HB ALA 91 3HB ALA 91 9.656 19.083 -13.644 675 H LEU 92 H LEU 92 8.953 14.894 -11.661 676 HA LEU 92 HA LEU 92 8.665 14.106 -9.423 677 1HB LEU 92 2HB LEU 92 11.140 13.914 -10.205 678 2HB LEU 92 1HB LEU 92 11.435 15.247 -9.087 679 HG LEU 92 HG LEU 92 9.976 13.660 -7.474 680 1HD1 LEU 92 1HD1 LEU 92 10.829 11.304 -7.866 681 2HD1 LEU 92 2HD1 LEU 92 11.350 11.835 -9.464 682 3HD1 LEU 92 3HD1 LEU 92 9.638 11.864 -9.039 683 1HD2 LEU 92 1HD2 LEU 92 12.206 14.546 -6.966 684 2HD2 LEU 92 2HD2 LEU 92 12.941 13.376 -8.062 685 3HD2 LEU 92 3HD2 LEU 92 12.148 12.824 -6.587 686 H ASP 93 H ASP 93 7.152 15.433 -8.362 687 HA ASP 93 HA ASP 93 8.302 17.314 -6.415 688 1HB ASP 93 2HB ASP 93 6.868 18.187 -8.832 689 2HB ASP 93 1HB ASP 93 6.208 18.848 -7.335 690 H ALA 94 H ALA 94 7.271 16.893 -4.530 691 HA ALA 94 HA ALA 94 5.089 15.122 -4.261 692 1HB ALA 94 1HB ALA 94 6.766 16.284 -2.498 693 2HB ALA 94 2HB ALA 94 5.243 15.541 -2.008 694 3HB ALA 94 3HB ALA 94 5.340 17.287 -2.234 695 H LYS 95 H LYS 95 5.129 18.654 -4.596 696 HA LYS 95 HA LYS 95 2.346 19.081 -4.086 697 1HB LYS 95 2HB LYS 95 4.452 20.602 -5.614 698 2HB LYS 95 1HB LYS 95 2.772 21.139 -5.630 699 1HG LYS 95 2HG LYS 95 2.807 21.100 -3.115 700 2HG LYS 95 1HG LYS 95 4.537 20.764 -3.196 701 1HD LYS 95 2HD LYS 95 5.038 22.867 -4.096 702 2HD LYS 95 1HD LYS 95 3.393 23.116 -4.682 703 1HE LYS 95 2HE LYS 95 3.558 24.524 -2.782 704 2HE LYS 95 1HE LYS 95 2.697 23.099 -2.200 705 1HZ LYS 95 1HZ LYS 95 5.160 24.138 -1.327 706 2HZ LYS 95 2HZ LYS 95 5.419 22.582 -1.959 707 3HZ LYS 95 3HZ LYS 95 4.291 22.818 -0.712 708 H LEU 96 H LEU 96 4.127 18.492 -7.124 709 HA LEU 96 HA LEU 96 1.793 18.603 -8.805 710 1HB LEU 96 2HB LEU 96 4.372 18.637 -9.394 711 2HB LEU 96 1HB LEU 96 4.155 16.891 -9.503 712 HG LEU 96 HG LEU 96 2.061 17.523 -10.960 713 1HD1 LEU 96 1HD1 LEU 96 2.356 19.981 -10.430 714 2HD1 LEU 96 2HD1 LEU 96 2.261 19.610 -12.151 715 3HD1 LEU 96 3HD1 LEU 96 3.824 19.947 -11.407 716 1HD2 LEU 96 1HD2 LEU 96 4.907 17.847 -11.968 717 2HD2 LEU 96 2HD2 LEU 96 3.502 17.496 -12.975 718 3HD2 LEU 96 3HD2 LEU 96 4.050 16.317 -11.783 719 H ILE 97 H ILE 97 3.732 15.726 -7.892 720 HA ILE 97 HA ILE 97 2.041 13.715 -8.728 721 HB ILE 97 HB ILE 97 3.658 13.912 -6.178 722 1HG1 ILE 97 2HG1 ILE 97 4.184 12.083 -8.501 723 2HG1 ILE 97 1HG1 ILE 97 4.596 13.793 -8.649 724 1HG2 ILE 97 1HG2 ILE 97 2.299 12.205 -5.480 725 2HG2 ILE 97 2HG2 ILE 97 3.341 11.250 -6.535 726 3HG2 ILE 97 3HG2 ILE 97 1.775 11.813 -7.118 727 1HD1 ILE 97 1HD1 ILE 97 5.503 12.035 -6.353 728 2HD1 ILE 97 2HD1 ILE 97 6.026 13.682 -6.700 729 3HD1 ILE 97 3HD1 ILE 97 6.481 12.367 -7.782 730 H ASP 98 H ASP 98 1.612 15.794 -5.903 731 HA ASP 98 HA ASP 98 -0.591 14.340 -4.764 732 1HB ASP 98 2HB ASP 98 0.537 17.096 -4.476 733 2HB ASP 98 1HB ASP 98 -1.087 16.794 -3.857 734 H GLU 99 H GLU 99 -0.478 17.201 -6.908 735 HA GLU 99 HA GLU 99 -3.305 17.483 -7.181 736 1HB GLU 99 2HB GLU 99 -0.954 18.299 -8.882 737 2HB GLU 99 1HB GLU 99 -2.604 18.573 -9.439 738 1HG GLU 99 2HG GLU 99 -2.966 20.241 -7.939 739 2HG GLU 99 1HG GLU 99 -2.115 19.391 -6.648 740 H GLN 100 H GLN 100 -0.947 15.506 -8.939 741 HA GLN 100 HA GLN 100 -2.788 14.634 -10.985 742 1HB GLN 100 2HB GLN 100 -0.376 13.109 -9.975 743 2HB GLN 100 1HB GLN 100 -1.102 13.039 -11.581 744 1HG GLN 100 2HG GLN 100 0.184 15.509 -10.380 745 2HG GLN 100 1HG GLN 100 0.967 14.431 -11.534 746 1HE2 GLN 100 1HE2 GLN 100 0.015 17.352 -11.786 747 2HE2 GLN 100 2HE2 GLN 100 -0.940 17.351 -13.189 748 H VAL 101 H VAL 101 -1.610 13.061 -7.992 749 HA VAL 101 HA VAL 101 -3.245 10.736 -8.220 750 HB VAL 101 HB VAL 101 -1.970 12.142 -5.872 751 1HG1 VAL 101 1HG1 VAL 101 -3.781 11.144 -4.776 752 2HG1 VAL 101 2HG1 VAL 101 -2.570 9.863 -4.720 753 3HG1 VAL 101 3HG1 VAL 101 -3.861 9.804 -5.920 754 1HG2 VAL 101 1HG2 VAL 101 -0.513 10.174 -5.904 755 2HG2 VAL 101 2HG2 VAL 101 -0.546 10.907 -7.507 756 3HG2 VAL 101 3HG2 VAL 101 -1.483 9.449 -7.184 757 H GLU 102 H GLU 102 -3.835 13.864 -6.615 758 HA GLU 102 HA GLU 102 -6.348 13.187 -5.457 759 1HB GLU 102 2HB GLU 102 -5.307 15.205 -4.731 760 2HB GLU 102 1HB GLU 102 -5.170 15.814 -6.381 761 1HG GLU 102 2HG GLU 102 -7.409 16.392 -6.503 762 2HG GLU 102 1HG GLU 102 -7.897 15.161 -5.338 763 H LYS 103 H LYS 103 -5.520 14.445 -8.681 764 HA LYS 103 HA LYS 103 -8.280 14.754 -9.504 765 1HB LYS 103 2HB LYS 103 -5.638 14.679 -10.955 766 2HB LYS 103 1HB LYS 103 -7.159 14.710 -11.850 767 1HG LYS 103 2HG LYS 103 -7.801 16.734 -10.436 768 2HG LYS 103 1HG LYS 103 -6.122 16.771 -9.892 769 1HD LYS 103 2HD LYS 103 -6.868 16.751 -12.823 770 2HD LYS 103 1HD LYS 103 -6.685 18.248 -11.907 771 1HE LYS 103 2HE LYS 103 -4.580 16.125 -12.388 772 2HE LYS 103 1HE LYS 103 -4.564 17.794 -12.956 773 1HZ LYS 103 1HZ LYS 103 -4.713 18.367 -10.476 774 2HZ LYS 103 2HZ LYS 103 -3.217 17.847 -11.094 775 3HZ LYS 103 3HZ LYS 103 -4.196 16.772 -10.214 776 H LEU 104 H LEU 104 -5.887 12.153 -9.762 777 HA LEU 104 HA LEU 104 -7.500 10.491 -11.492 778 1HB LEU 104 2HB LEU 104 -5.225 9.819 -9.603 779 2HB LEU 104 1HB LEU 104 -5.944 8.669 -10.731 780 HG LEU 104 HG LEU 104 -4.718 11.319 -11.546 781 1HD1 LEU 104 1HD1 LEU 104 -2.951 9.884 -10.735 782 2HD1 LEU 104 2HD1 LEU 104 -2.911 9.833 -12.497 783 3HD1 LEU 104 3HD1 LEU 104 -3.619 8.495 -11.594 784 1HD2 LEU 104 1HD2 LEU 104 -6.030 9.029 -12.982 785 2HD2 LEU 104 2HD2 LEU 104 -4.750 9.932 -13.793 786 3HD2 LEU 104 3HD2 LEU 104 -6.209 10.763 -13.252 787 H VAL 105 H VAL 105 -7.209 10.869 -7.994 788 HA VAL 105 HA VAL 105 -8.741 8.539 -7.287 789 HB VAL 105 HB VAL 105 -7.933 11.072 -5.893 790 1HG1 VAL 105 1HG1 VAL 105 -9.151 9.910 -3.859 791 2HG1 VAL 105 2HG1 VAL 105 -10.165 9.217 -5.125 792 3HG1 VAL 105 3HG1 VAL 105 -10.056 10.967 -4.941 793 1HG2 VAL 105 1HG2 VAL 105 -6.476 9.005 -6.086 794 2HG2 VAL 105 2HG2 VAL 105 -7.671 8.156 -5.106 795 3HG2 VAL 105 3HG2 VAL 105 -6.792 9.529 -4.432 796 H ASN 106 H ASN 106 -9.766 11.969 -7.037 797 HA ASN 106 HA ASN 106 -12.494 11.556 -6.699 798 1HB ASN 106 2HB ASN 106 -10.938 13.719 -8.092 799 2HB ASN 106 1HB ASN 106 -12.701 13.751 -8.121 800 1HD2 ASN 106 1HD2 ASN 106 -9.933 13.580 -5.831 801 2HD2 ASN 106 2HD2 ASN 106 -10.756 14.320 -4.545 802 H LEU 107 H LEU 107 -10.708 11.620 -9.781 803 HA LEU 107 HA LEU 107 -13.001 11.318 -11.469 804 1HB LEU 107 2HB LEU 107 -10.902 12.016 -12.435 805 2HB LEU 107 1HB LEU 107 -10.097 10.553 -11.866 806 HG LEU 107 HG LEU 107 -12.490 10.041 -13.504 807 1HD1 LEU 107 1HD1 LEU 107 -11.643 12.037 -14.667 808 2HD1 LEU 107 2HD1 LEU 107 -11.346 10.591 -15.633 809 3HD1 LEU 107 3HD1 LEU 107 -10.029 11.329 -14.723 810 1HD2 LEU 107 1HD2 LEU 107 -9.675 9.101 -14.014 811 2HD2 LEU 107 2HD2 LEU 107 -11.193 8.239 -14.267 812 3HD2 LEU 107 3HD2 LEU 107 -10.576 8.476 -12.631 813 H ALA 108 H ALA 108 -10.663 8.859 -10.305 814 HA ALA 108 HA ALA 108 -11.750 6.566 -11.407 815 1HB ALA 108 1HB ALA 108 -11.174 5.532 -9.035 816 2HB ALA 108 2HB ALA 108 -10.460 7.121 -8.760 817 3HB ALA 108 3HB ALA 108 -9.890 6.117 -10.094 818 H GLU 109 H GLU 109 -12.765 7.897 -8.233 819 HA GLU 109 HA GLU 109 -14.967 6.134 -7.885 820 1HB GLU 109 2HB GLU 109 -14.681 8.984 -6.884 821 2HB GLU 109 1HB GLU 109 -15.778 7.764 -6.237 822 1HG GLU 109 2HG GLU 109 -12.819 7.227 -6.401 823 2HG GLU 109 1HG GLU 109 -13.494 8.124 -5.041 824 H LYS 110 H LYS 110 -14.800 9.351 -9.416 825 HA LYS 110 HA LYS 110 -17.523 9.799 -9.880 826 1HB LYS 110 2HB LYS 110 -15.213 11.031 -10.676 827 2HB LYS 110 1HB LYS 110 -15.789 10.371 -12.205 828 1HG LYS 110 2HG LYS 110 -18.114 11.369 -11.270 829 2HG LYS 110 1HG LYS 110 -16.991 12.476 -10.478 830 1HD LYS 110 2HD LYS 110 -16.881 11.847 -13.437 831 2HD LYS 110 1HD LYS 110 -17.777 13.215 -12.774 832 1HE LYS 110 2HE LYS 110 -15.415 13.606 -11.536 833 2HE LYS 110 1HE LYS 110 -14.840 12.805 -12.999 834 1HZ LYS 110 1HZ LYS 110 -15.776 15.449 -12.680 835 2HZ LYS 110 2HZ LYS 110 -16.765 14.631 -13.794 836 3HZ LYS 110 3HZ LYS 110 -15.088 14.722 -14.049 837 H PHE 111 H PHE 111 -15.338 7.579 -11.537 838 HA PHE 111 HA PHE 111 -17.448 6.872 -13.490 839 1HB PHE 111 2HB PHE 111 -14.529 6.288 -13.185 840 2HB PHE 111 1HB PHE 111 -15.516 5.137 -14.087 841 HD1 PHE 111 HD1 PHE 111 -17.286 6.357 -15.740 842 HD2 PHE 111 HD2 PHE 111 -13.541 7.995 -14.418 843 HE1 PHE 111 HE1 PHE 111 -17.249 7.864 -17.710 844 HE2 PHE 111 HE2 PHE 111 -13.505 9.502 -16.388 845 HZ PHE 111 HZ PHE 111 -15.359 9.436 -18.034 846 H ASP 112 H ASP 112 -15.243 4.751 -11.650 847 HA ASP 112 HA ASP 112 -16.929 3.520 -9.862 848 1HB ASP 112 2HB ASP 112 -17.680 2.864 -12.646 849 2HB ASP 112 1HB ASP 112 -17.514 1.471 -11.576 850 H ILE 113 H ILE 113 -14.122 3.878 -10.511 851 HA ILE 113 HA ILE 113 -13.244 1.016 -10.506 852 HB ILE 113 HB ILE 113 -11.110 1.796 -11.468 853 1HG1 ILE 113 2HG1 ILE 113 -12.492 4.480 -11.278 854 2HG1 ILE 113 1HG1 ILE 113 -10.923 4.018 -10.619 855 1HG2 ILE 113 1HG2 ILE 113 -13.467 2.857 -13.051 856 2HG2 ILE 113 2HG2 ILE 113 -13.041 1.150 -12.942 857 3HG2 ILE 113 3HG2 ILE 113 -11.928 2.289 -13.697 858 1HD1 ILE 113 1HD1 ILE 113 -10.230 3.572 -13.063 859 2HD1 ILE 113 2HD1 ILE 113 -10.393 5.256 -12.568 860 3HD1 ILE 113 3HD1 ILE 113 -11.673 4.486 -13.505 861 H ILE 114 H ILE 114 -10.911 0.947 -9.430 862 HA ILE 114 HA ILE 114 -10.985 2.650 -6.970 863 HB ILE 114 HB ILE 114 -11.627 0.538 -6.154 864 1HG1 ILE 114 2HG1 ILE 114 -9.722 -0.273 -4.896 865 2HG1 ILE 114 1HG1 ILE 114 -8.597 0.406 -6.072 866 1HG2 ILE 114 1HG2 ILE 114 -11.386 -0.747 -8.190 867 2HG2 ILE 114 2HG2 ILE 114 -10.474 -1.567 -6.922 868 3HG2 ILE 114 3HG2 ILE 114 -9.629 -0.599 -8.131 869 1HD1 ILE 114 1HD1 ILE 114 -8.901 2.569 -5.325 870 2HD1 ILE 114 2HD1 ILE 114 -9.210 1.705 -3.818 871 3HD1 ILE 114 3HD1 ILE 114 -10.558 2.266 -4.805 872 H TYR 115 H TYR 115 -9.292 4.041 -7.366 873 HA TYR 115 HA TYR 115 -6.813 2.962 -8.577 874 1HB TYR 115 2HB TYR 115 -7.382 5.024 -9.561 875 2HB TYR 115 1HB TYR 115 -7.856 5.733 -8.019 876 HD1 TYR 115 HD1 TYR 115 -6.422 7.680 -8.188 877 HD2 TYR 115 HD2 TYR 115 -4.781 3.716 -8.443 878 HE1 TYR 115 HE1 TYR 115 -4.139 8.604 -7.907 879 HE2 TYR 115 HE2 TYR 115 -2.501 4.642 -8.161 880 HH TYR 115 HH TYR 115 -1.440 7.106 -8.695 881 H ASP 116 H ASP 116 -5.239 2.228 -7.236 882 HA ASP 116 HA ASP 116 -4.456 3.740 -4.871 883 1HB ASP 116 2HB ASP 116 -6.523 2.146 -4.324 884 2HB ASP 116 1HB ASP 116 -5.248 0.932 -4.224 885 H GLY 117 H GLY 117 -2.579 3.565 -6.446 886 1HA GLY 117 2HA GLY 117 -0.554 1.888 -5.514 887 2HA GLY 117 1HA GLY 117 -1.301 0.999 -6.841 888 H TRP 118 H TRP 118 0.709 3.709 -6.003 889 HA TRP 118 HA TRP 118 1.118 4.221 -8.923 890 1HB TRP 118 2HB TRP 118 1.315 6.523 -8.545 891 2HB TRP 118 1HB TRP 118 0.026 6.076 -7.426 892 HD1 TRP 118 HD1 TRP 118 0.999 5.368 -4.860 893 HE1 TRP 118 HE1 TRP 118 2.769 6.627 -3.473 894 HE3 TRP 118 HE3 TRP 118 3.298 8.027 -8.566 895 HZ2 TRP 118 HZ2 TRP 118 4.881 8.513 -3.880 896 HZ3 TRP 118 HZ3 TRP 118 5.185 9.545 -8.038 897 HH2 TRP 118 HH2 TRP 118 5.978 9.791 -5.703 898 H GLY 119 H GLY 119 3.234 4.210 -9.621 899 1HA GLY 119 2HA GLY 119 5.373 4.031 -7.546 900 2HA GLY 119 1HA GLY 119 5.311 2.850 -8.858 901 H THR 120 H THR 120 7.526 4.620 -8.430 902 HA THR 120 HA THR 120 7.319 6.263 -10.921 903 HB THR 120 HB THR 120 7.345 7.739 -8.946 904 HG1 THR 120 HG1 THR 120 9.782 8.405 -9.554 905 1HG2 THR 120 1HG2 THR 120 9.265 7.734 -7.427 906 2HG2 THR 120 2HG2 THR 120 9.990 6.398 -8.320 907 3HG2 THR 120 3HG2 THR 120 8.492 6.149 -7.423 908 H TYR 121 H TYR 121 9.253 6.352 -12.186 909 HA TYR 121 HA TYR 121 11.029 4.026 -11.753 910 1HB TYR 121 2HB TYR 121 9.925 5.178 -14.026 911 2HB TYR 121 1HB TYR 121 11.602 5.721 -14.071 912 HD1 TYR 121 HD1 TYR 121 9.838 3.473 -15.663 913 HD2 TYR 121 HD2 TYR 121 12.972 3.453 -12.724 914 HE1 TYR 121 HE1 TYR 121 10.548 1.226 -16.436 915 HE2 TYR 121 HE2 TYR 121 13.682 1.206 -13.498 916 HH TYR 121 HH TYR 121 13.483 -0.132 -15.691 917 H TYR 122 H TYR 122 13.070 4.255 -10.948 918 HA TYR 122 HA TYR 122 14.088 7.034 -10.577 919 1HB TYR 122 2HB TYR 122 13.931 5.797 -8.504 920 2HB TYR 122 1HB TYR 122 14.790 4.425 -9.204 921 HD1 TYR 122 HD1 TYR 122 15.166 8.061 -8.421 922 HD2 TYR 122 HD2 TYR 122 17.141 4.307 -9.102 923 HE1 TYR 122 HE1 TYR 122 17.330 9.080 -7.764 924 HE2 TYR 122 HE2 TYR 122 19.305 5.326 -8.445 925 HH TYR 122 HH TYR 122 19.746 8.673 -8.162 926 H GLU 123 H GLU 123 15.902 7.681 -11.660 927 HA GLU 123 HA GLU 123 17.123 5.792 -13.561 928 1HB GLU 123 2HB GLU 123 16.560 8.192 -14.143 929 2HB GLU 123 1HB GLU 123 17.862 8.687 -13.061 930 1HG GLU 123 2HG GLU 123 19.516 7.589 -14.388 931 2HG GLU 123 1HG GLU 123 18.292 6.727 -15.322 932 H GLY 124 H GLY 124 18.420 4.378 -12.368 933 1HA GLY 124 2HA GLY 124 21.024 4.716 -11.839 934 2HA GLY 124 1HA GLY 124 20.338 5.509 -10.420 935 H LEU 125 H LEU 125 19.609 2.499 -12.227 936 HA LEU 125 HA LEU 125 20.101 0.949 -9.755 937 1HB LEU 125 2HB LEU 125 17.462 1.668 -10.677 938 2HB LEU 125 1HB LEU 125 17.675 -0.078 -10.797 939 HG LEU 125 HG LEU 125 18.281 1.568 -8.324 940 1HD1 LEU 125 1HD1 LEU 125 16.264 0.373 -7.409 941 2HD1 LEU 125 2HD1 LEU 125 15.930 -0.205 -9.042 942 3HD1 LEU 125 3HD1 LEU 125 15.886 1.522 -8.693 943 1HD2 LEU 125 1HD2 LEU 125 19.171 -0.979 -9.124 944 2HD2 LEU 125 2HD2 LEU 125 17.871 -1.285 -7.971 945 3HD2 LEU 125 3HD2 LEU 125 19.254 -0.295 -7.501 946 H GLU 126 H GLU 126 21.853 0.093 -11.054 947 HA GLU 126 HA GLU 126 21.154 -1.354 -13.525 948 1HB GLU 126 2HB GLU 126 23.834 -1.636 -12.237 949 2HB GLU 126 1HB GLU 126 23.421 -1.447 -13.942 950 1HG GLU 126 2HG GLU 126 22.832 0.921 -13.532 951 2HG GLU 126 1HG GLU 126 23.277 0.730 -11.834 952 H HIS 127 H HIS 127 23.217 -3.442 -12.930 953 HA HIS 127 HA HIS 127 22.012 -4.980 -10.720 954 1HB HIS 127 2HB HIS 127 21.778 -6.958 -12.423 955 2HB HIS 127 1HB HIS 127 20.498 -5.748 -12.335 956 HD2 HIS 127 HD2 HIS 127 23.093 -7.078 -14.889 957 HE1 HIS 127 HE1 HIS 127 21.257 -3.701 -16.640 958 HE2 HIS 127 HE2 HIS 127 22.794 -5.673 -17.066 959 H HIS 128 H HIS 128 23.727 -5.853 -9.677 960 HA HIS 128 HA HIS 128 25.709 -7.468 -10.948 961 1HB HIS 128 2HB HIS 128 26.209 -4.796 -11.398 962 2HB HIS 128 1HB HIS 128 27.163 -5.112 -9.948 963 HD2 HIS 128 HD2 HIS 128 27.161 -6.057 -13.740 964 HE1 HIS 128 HE1 HIS 128 30.466 -7.978 -11.947 965 HE2 HIS 128 HE2 HIS 128 29.335 -7.435 -14.152 966 H HIS 129 H HIS 129 25.307 -5.151 -8.250 967 HA HIS 129 HA HIS 129 26.185 -7.350 -6.419 968 1HB HIS 129 2HB HIS 129 26.895 -4.427 -6.459 969 2HB HIS 129 1HB HIS 129 26.884 -5.305 -4.929 970 HD2 HIS 129 HD2 HIS 129 28.710 -5.681 -8.454 971 HE1 HIS 129 HE1 HIS 129 31.047 -7.542 -5.469 972 HE2 HIS 129 HE2 HIS 129 30.948 -6.913 -7.924 973 H HIS 130 H HIS 130 25.429 -6.641 -4.042 974 HA HIS 130 HA HIS 130 22.533 -5.967 -4.308 975 1HB HIS 130 2HB HIS 130 24.074 -7.850 -2.620 976 2HB HIS 130 1HB HIS 130 22.774 -6.990 -1.795 977 HD2 HIS 130 HD2 HIS 130 21.369 -9.582 -1.865 978 HE1 HIS 130 HE1 HIS 130 20.447 -9.256 -5.973 979 HE2 HIS 130 HE2 HIS 130 19.939 -10.520 -3.834 980 H HIS 131 H HIS 131 21.988 -5.321 -1.664 981 HA HIS 131 HA HIS 131 23.534 -2.782 -1.360 982 1HB HIS 131 2HB HIS 131 20.896 -3.257 -0.014 983 2HB HIS 131 1HB HIS 131 21.595 -1.746 -0.595 984 HD2 HIS 131 HD2 HIS 131 19.881 -0.995 -2.642 985 HE1 HIS 131 HE1 HIS 131 19.638 -4.731 -4.598 986 HE2 HIS 131 HE2 HIS 131 18.949 -2.292 -4.705 987 H HIS 132 HN HIS 132 25.042 -4.547 -0.266 988 HA HIS 132 HA HIS 132 24.436 -5.724 2.215 989 1HB HIS 132 2HB HIS 132 27.012 -4.549 1.150 990 2HB HIS 132 1HB HIS 132 26.926 -5.386 2.700 991 HD2 HIS 132 HD2 HIS 132 24.822 -6.800 -0.294 992 HE1 HIS 132 HE1 HIS 132 28.041 -9.444 0.395 993 HE2 HIS 132 HE2 HIS 132 25.887 -9.103 -0.898 Start of MODEL 16 1 1H MET 1 1H MET 1 -22.432 23.339 15.242 2 2H MET 1 2H MET 1 -22.865 24.528 16.376 3 3H MET 1 3H MET 1 -21.982 23.163 16.867 4 HA MET 1 HA MET 1 -21.081 25.572 15.480 5 1HB MET 1 2HB MET 1 -20.375 23.900 17.804 6 2HB MET 1 1HB MET 1 -18.989 24.468 16.872 7 1HG MET 1 2HG MET 1 -19.500 26.724 17.241 8 2HG MET 1 1HG MET 1 -21.190 26.382 17.606 9 1HE MET 1 1HE MET 1 -21.531 25.675 21.101 10 2HE MET 1 2HE MET 1 -22.149 25.623 19.452 11 3HE MET 1 3HE MET 1 -21.723 27.170 20.177 12 H SER 2 H SER 2 -20.890 22.088 15.235 13 HA SER 2 HA SER 2 -18.797 22.403 13.122 14 1HB SER 2 2HB SER 2 -19.239 20.390 15.236 15 2HB SER 2 1HB SER 2 -18.870 19.716 13.651 16 HG SER 2 HG SER 2 -16.938 20.652 13.687 17 H HIS 3 H HIS 3 -20.291 22.827 11.421 18 HA HIS 3 HA HIS 3 -22.687 21.451 10.885 19 1HB HIS 3 2HB HIS 3 -21.947 21.924 8.388 20 2HB HIS 3 1HB HIS 3 -22.355 23.260 9.464 21 HD2 HIS 3 HD2 HIS 3 -19.334 22.006 7.429 22 HE1 HIS 3 HE1 HIS 3 -17.875 25.002 10.024 23 HE2 HIS 3 HE2 HIS 3 -17.315 23.546 8.024 24 H GLN 4 H GLN 4 -19.369 20.420 10.439 25 HA GLN 4 HA GLN 4 -18.553 18.250 10.007 26 1HB GLN 4 2HB GLN 4 -20.971 17.739 11.114 27 2HB GLN 4 1HB GLN 4 -21.247 17.109 9.488 28 1HG GLN 4 2HG GLN 4 -19.184 15.742 9.686 29 2HG GLN 4 1HG GLN 4 -18.964 16.337 11.332 30 1HE2 GLN 4 1HE2 GLN 4 -22.139 16.282 11.403 31 2HE2 GLN 4 2HE2 GLN 4 -22.460 14.662 11.797 32 H ASP 5 H ASP 5 -18.225 16.895 8.098 33 HA ASP 5 HA ASP 5 -18.952 18.322 5.622 34 1HB ASP 5 2HB ASP 5 -17.204 15.883 6.077 35 2HB ASP 5 1HB ASP 5 -17.378 16.744 4.546 36 H ASP 6 H ASP 6 -18.589 15.393 4.434 37 HA ASP 6 HA ASP 6 -20.978 13.977 5.148 38 1HB ASP 6 2HB ASP 6 -22.215 15.781 4.163 39 2HB ASP 6 1HB ASP 6 -21.141 15.836 2.764 40 H TYR 7 H TYR 7 -20.262 11.960 4.705 41 HA TYR 7 HA TYR 7 -19.060 10.228 3.650 42 1HB TYR 7 2HB TYR 7 -21.117 11.145 2.038 43 2HB TYR 7 1HB TYR 7 -19.731 11.150 0.948 44 HD1 TYR 7 HD1 TYR 7 -22.377 9.206 1.753 45 HD2 TYR 7 HD2 TYR 7 -18.089 8.947 1.698 46 HE1 TYR 7 HE1 TYR 7 -22.529 6.740 1.548 47 HE2 TYR 7 HE2 TYR 7 -18.242 6.479 1.494 48 HH TYR 7 HH TYR 7 -19.903 4.689 2.055 49 H LEU 8 H LEU 8 -16.871 10.667 3.944 50 HA LEU 8 HA LEU 8 -15.566 12.300 1.802 51 1HB LEU 8 2HB LEU 8 -13.675 12.168 3.754 52 2HB LEU 8 1HB LEU 8 -14.851 13.476 3.626 53 HG LEU 8 HG LEU 8 -15.556 10.966 5.125 54 1HD1 LEU 8 1HD1 LEU 8 -13.600 11.482 6.302 55 2HD1 LEU 8 2HD1 LEU 8 -14.810 12.423 7.176 56 3HD1 LEU 8 3HD1 LEU 8 -13.760 13.213 6.000 57 1HD2 LEU 8 1HD2 LEU 8 -17.371 12.177 5.734 58 2HD2 LEU 8 2HD2 LEU 8 -16.898 13.313 4.471 59 3HD2 LEU 8 3HD2 LEU 8 -16.387 13.585 6.137 60 H SER 9 H SER 9 -13.912 10.222 4.108 61 HA SER 9 HA SER 9 -12.606 8.301 3.773 62 1HB SER 9 2HB SER 9 -13.992 7.545 1.267 63 2HB SER 9 1HB SER 9 -13.677 6.587 2.711 64 HG SER 9 HG SER 9 -15.481 8.738 2.817 65 H VAL 10 H VAL 10 -13.452 9.578 0.528 66 HA VAL 10 HA VAL 10 -11.099 8.929 -0.816 67 HB VAL 10 HB VAL 10 -11.592 10.730 -2.342 68 1HG1 VAL 10 1HG1 VAL 10 -14.149 9.714 -1.061 69 2HG1 VAL 10 2HG1 VAL 10 -13.222 8.884 -2.311 70 3HG1 VAL 10 3HG1 VAL 10 -14.026 10.411 -2.676 71 1HG2 VAL 10 1HG2 VAL 10 -11.757 12.542 -0.686 72 2HG2 VAL 10 2HG2 VAL 10 -13.271 11.869 -0.082 73 3HG2 VAL 10 3HG2 VAL 10 -13.190 12.528 -1.716 74 H GLU 11 H GLU 11 -11.580 11.363 1.645 75 HA GLU 11 HA GLU 11 -9.080 12.762 1.098 76 1HB GLU 11 2HB GLU 11 -11.124 12.830 3.306 77 2HB GLU 11 1HB GLU 11 -9.571 13.643 3.511 78 1HG GLU 11 2HG GLU 11 -10.719 14.219 0.902 79 2HG GLU 11 1HG GLU 11 -11.827 14.669 2.200 80 H GLU 12 H GLU 12 -10.136 10.131 3.196 81 HA GLU 12 HA GLU 12 -7.836 10.013 4.881 82 1HB GLU 12 2HB GLU 12 -9.423 7.615 3.933 83 2HB GLU 12 1HB GLU 12 -8.564 7.809 5.462 84 1HG GLU 12 2HG GLU 12 -10.840 9.630 4.666 85 2HG GLU 12 1HG GLU 12 -11.112 8.119 5.536 86 H LEU 13 H LEU 13 -8.573 8.155 1.904 87 HA LEU 13 HA LEU 13 -6.122 6.790 1.682 88 1HB LEU 13 2HB LEU 13 -7.638 7.967 -0.663 89 2HB LEU 13 1HB LEU 13 -6.620 6.526 -0.658 90 HG LEU 13 HG LEU 13 -9.015 6.701 1.158 91 1HD1 LEU 13 1HD1 LEU 13 -9.008 6.593 -1.763 92 2HD1 LEU 13 2HD1 LEU 13 -10.362 6.811 -0.655 93 3HD1 LEU 13 3HD1 LEU 13 -9.796 5.187 -1.047 94 1HD2 LEU 13 1HD2 LEU 13 -8.904 4.259 0.965 95 2HD2 LEU 13 2HD2 LEU 13 -7.326 4.889 1.438 96 3HD2 LEU 13 3HD2 LEU 13 -7.614 4.393 -0.230 97 H ILE 14 H ILE 14 -6.987 9.981 0.314 98 HA ILE 14 HA ILE 14 -4.436 10.557 -0.803 99 HB ILE 14 HB ILE 14 -6.484 12.475 0.352 100 1HG1 ILE 14 2HG1 ILE 14 -6.065 11.680 -2.538 101 2HG1 ILE 14 1HG1 ILE 14 -7.206 10.839 -1.489 102 1HG2 ILE 14 1HG2 ILE 14 -4.174 12.884 -1.572 103 2HG2 ILE 14 2HG2 ILE 14 -4.321 13.563 0.048 104 3HG2 ILE 14 3HG2 ILE 14 -5.414 14.090 -1.231 105 1HD1 ILE 14 1HD1 ILE 14 -8.059 13.280 -0.964 106 2HD1 ILE 14 2HD1 ILE 14 -8.585 12.459 -2.435 107 3HD1 ILE 14 3HD1 ILE 14 -7.294 13.659 -2.507 108 H GLU 15 H GLU 15 -5.642 10.810 2.491 109 HA GLU 15 HA GLU 15 -3.592 12.498 3.544 110 1HB GLU 15 2HB GLU 15 -5.818 11.138 4.561 111 2HB GLU 15 1HB GLU 15 -4.444 10.438 5.416 112 1HG GLU 15 2HG GLU 15 -4.984 13.410 5.151 113 2HG GLU 15 1HG GLU 15 -5.353 12.443 6.580 114 H ILE 16 H ILE 16 -3.844 8.951 4.008 115 HA ILE 16 HA ILE 16 -1.217 8.540 4.905 116 HB ILE 16 HB ILE 16 -2.744 6.636 3.107 117 1HG1 ILE 16 2HG1 ILE 16 -2.900 6.809 6.126 118 2HG1 ILE 16 1HG1 ILE 16 -4.063 7.617 5.074 119 1HG2 ILE 16 1HG2 ILE 16 -0.227 6.484 4.392 120 2HG2 ILE 16 2HG2 ILE 16 -1.112 5.170 3.616 121 3HG2 ILE 16 3HG2 ILE 16 -1.322 5.478 5.340 122 1HD1 ILE 16 1HD1 ILE 16 -3.578 4.801 4.369 123 2HD1 ILE 16 2HD1 ILE 16 -5.102 5.675 4.534 124 3HD1 ILE 16 3HD1 ILE 16 -4.298 5.025 5.963 125 H GLN 17 H GLN 17 -2.423 8.651 1.556 126 HA GLN 17 HA GLN 17 0.010 7.930 0.268 127 1HB GLN 17 2HB GLN 17 -2.226 8.136 -0.854 128 2HB GLN 17 1HB GLN 17 -2.068 9.889 -0.750 129 1HG GLN 17 2HG GLN 17 -1.216 9.479 -2.882 130 2HG GLN 17 1HG GLN 17 0.255 9.461 -1.910 131 1HE2 GLN 17 1HE2 GLN 17 -1.803 7.533 -3.949 132 2HE2 GLN 17 2HE2 GLN 17 -0.942 6.079 -3.792 133 H LYS 18 H LYS 18 -1.304 11.243 0.708 134 HA LYS 18 HA LYS 18 0.812 12.759 -0.168 135 1HB LYS 18 2HB LYS 18 -1.384 13.186 1.570 136 2HB LYS 18 1HB LYS 18 0.037 13.805 2.412 137 1HG LYS 18 2HG LYS 18 0.608 14.915 0.114 138 2HG LYS 18 1HG LYS 18 -1.099 14.651 -0.244 139 1HD LYS 18 2HD LYS 18 -0.157 16.025 2.282 140 2HD LYS 18 1HD LYS 18 -0.525 16.907 0.799 141 1HE LYS 18 2HE LYS 18 -2.808 15.904 0.809 142 2HE LYS 18 1HE LYS 18 -2.431 15.127 2.347 143 1HZ LYS 18 1HZ LYS 18 -3.063 16.987 3.338 144 2HZ LYS 18 2HZ LYS 18 -3.252 17.789 1.852 145 3HZ LYS 18 3HZ LYS 18 -1.743 17.787 2.634 146 H GLU 19 H GLU 19 0.586 11.352 3.115 147 HA GLU 19 HA GLU 19 3.176 12.218 3.959 148 1HB GLU 19 2HB GLU 19 1.578 9.795 4.846 149 2HB GLU 19 1HB GLU 19 2.952 10.487 5.711 150 1HG GLU 19 2HG GLU 19 0.763 12.366 4.993 151 2HG GLU 19 1HG GLU 19 0.399 11.180 6.247 152 H GLU 20 H GLU 20 2.104 9.061 2.644 153 HA GLU 20 HA GLU 20 4.560 7.723 2.646 154 1HB GLU 20 2HB GLU 20 2.300 6.836 1.854 155 2HB GLU 20 1HB GLU 20 2.637 7.622 0.311 156 1HG GLU 20 2HG GLU 20 4.754 6.339 0.138 157 2HG GLU 20 1HG GLU 20 4.365 5.521 1.651 158 H THR 21 H THR 21 3.283 9.522 -0.187 159 HA THR 21 HA THR 21 5.526 9.518 -1.797 160 HB THR 21 HB THR 21 3.882 12.012 -1.282 161 HG1 THR 21 HG1 THR 21 2.540 11.116 -2.931 162 1HG2 THR 21 1HG2 THR 21 5.932 11.250 -3.188 163 2HG2 THR 21 2HG2 THR 21 5.175 12.822 -2.937 164 3HG2 THR 21 3HG2 THR 21 4.422 11.642 -4.010 165 H ARG 22 H ARG 22 4.895 11.955 0.758 166 HA ARG 22 HA ARG 22 7.213 13.455 0.617 167 1HB ARG 22 2HB ARG 22 5.401 13.779 2.305 168 2HB ARG 22 1HB ARG 22 6.024 12.390 3.197 169 1HG ARG 22 2HG ARG 22 7.982 13.495 3.822 170 2HG ARG 22 1HG ARG 22 7.891 14.629 2.474 171 1HD ARG 22 2HD ARG 22 7.275 15.936 4.340 172 2HD ARG 22 1HD ARG 22 5.730 15.496 3.616 173 HE ARG 22 HE ARG 22 6.200 13.481 5.463 174 1HH1 ARG 22 1HH2 ARG 22 6.112 16.928 5.473 175 2HH1 ARG 22 2HH2 ARG 22 5.572 17.043 7.114 176 1HH2 ARG 22 2HH1 ARG 22 5.492 13.611 7.607 177 2HH2 ARG 22 1HH1 ARG 22 5.220 15.165 8.322 178 H ASP 23 H ASP 23 6.869 10.282 2.210 179 HA ASP 23 HA ASP 23 9.574 10.104 3.119 180 1HB ASP 23 2HB ASP 23 7.833 7.773 2.279 181 2HB ASP 23 1HB ASP 23 9.130 7.771 3.476 182 H ILE 24 H ILE 24 8.020 9.161 0.067 183 HA ILE 24 HA ILE 24 10.373 7.894 -1.035 184 HB ILE 24 HB ILE 24 7.875 9.043 -2.305 185 1HG1 ILE 24 2HG1 ILE 24 8.738 6.161 -2.264 186 2HG1 ILE 24 1HG1 ILE 24 7.976 6.865 -0.837 187 1HG2 ILE 24 1HG2 ILE 24 10.414 8.154 -3.507 188 2HG2 ILE 24 2HG2 ILE 24 9.109 9.108 -4.213 189 3HG2 ILE 24 3HG2 ILE 24 8.990 7.349 -4.164 190 1HD1 ILE 24 1HD1 ILE 24 6.481 5.738 -2.686 191 2HD1 ILE 24 2HD1 ILE 24 6.713 7.268 -3.531 192 3HD1 ILE 24 3HD1 ILE 24 5.955 7.246 -1.939 193 H ILE 25 H ILE 25 8.825 10.985 -1.998 194 HA ILE 25 HA ILE 25 10.794 12.057 -3.589 195 HB ILE 25 HB ILE 25 9.513 13.698 -1.393 196 1HG1 ILE 25 2HG1 ILE 25 7.740 12.346 -2.337 197 2HG1 ILE 25 1HG1 ILE 25 7.610 13.963 -3.030 198 1HG2 ILE 25 1HG2 ILE 25 9.405 15.056 -3.805 199 2HG2 ILE 25 2HG2 ILE 25 10.956 14.220 -3.890 200 3HG2 ILE 25 3HG2 ILE 25 10.611 15.307 -2.544 201 1HD1 ILE 25 1HD1 ILE 25 8.986 13.126 -4.987 202 2HD1 ILE 25 2HD1 ILE 25 7.382 12.407 -4.848 203 3HD1 ILE 25 3HD1 ILE 25 8.802 11.501 -4.326 204 H GLN 26 H GLN 26 10.790 12.064 -0.027 205 HA GLN 26 HA GLN 26 13.181 13.514 0.383 206 1HB GLN 26 2HB GLN 26 11.883 11.273 1.942 207 2HB GLN 26 1HB GLN 26 13.354 12.070 2.500 208 1HG GLN 26 2HG GLN 26 11.128 13.851 1.659 209 2HG GLN 26 1HG GLN 26 10.887 12.946 3.154 210 1HE2 GLN 26 1HE2 GLN 26 14.058 14.068 1.958 211 2HE2 GLN 26 2HE2 GLN 26 14.337 15.154 3.233 212 H ALA 27 H ALA 27 12.836 9.944 0.318 213 HA ALA 27 HA ALA 27 15.518 9.229 0.393 214 1HB ALA 27 1HB ALA 27 13.569 7.933 -1.523 215 2HB ALA 27 2HB ALA 27 13.479 7.693 0.222 216 3HB ALA 27 3HB ALA 27 14.913 7.176 -0.666 217 H LEU 28 H LEU 28 13.748 9.514 -2.719 218 HA LEU 28 HA LEU 28 15.892 9.470 -4.457 219 1HB LEU 28 2HB LEU 28 13.606 11.450 -4.680 220 2HB LEU 28 1HB LEU 28 14.580 10.811 -6.004 221 HG LEU 28 HG LEU 28 13.071 8.939 -4.194 222 1HD1 LEU 28 1HD1 LEU 28 11.098 9.122 -5.480 223 2HD1 LEU 28 2HD1 LEU 28 11.910 10.031 -6.756 224 3HD1 LEU 28 3HD1 LEU 28 11.576 10.796 -5.203 225 1HD2 LEU 28 1HD2 LEU 28 13.592 8.682 -7.152 226 2HD2 LEU 28 2HD2 LEU 28 13.342 7.407 -5.960 227 3HD2 LEU 28 3HD2 LEU 28 14.860 8.303 -5.987 228 H LEU 29 H LEU 29 14.548 12.584 -3.285 229 HA LEU 29 HA LEU 29 16.450 14.358 -4.085 230 1HB LEU 29 2HB LEU 29 14.788 14.132 -1.669 231 2HB LEU 29 1HB LEU 29 16.236 15.112 -1.440 232 HG LEU 29 HG LEU 29 14.134 16.328 -2.287 233 1HD1 LEU 29 1HD1 LEU 29 15.450 17.819 -3.638 234 2HD1 LEU 29 2HD1 LEU 29 16.584 16.536 -4.056 235 3HD1 LEU 29 3HD1 LEU 29 16.528 17.160 -2.409 236 1HD2 LEU 29 1HD2 LEU 29 14.862 15.558 -5.043 237 2HD2 LEU 29 2HD2 LEU 29 13.270 15.832 -4.336 238 3HD2 LEU 29 3HD2 LEU 29 14.080 14.281 -4.112 239 H GLU 30 H GLU 30 16.829 12.351 -1.143 240 HA GLU 30 HA GLU 30 19.507 13.159 -0.588 241 1HB GLU 30 2HB GLU 30 18.006 11.894 0.984 242 2HB GLU 30 1HB GLU 30 18.265 10.455 -0.004 243 1HG GLU 30 2HG GLU 30 20.796 10.945 0.339 244 2HG GLU 30 1HG GLU 30 20.261 11.971 1.670 245 H ASP 31 H ASP 31 18.189 10.636 -2.690 246 HA ASP 31 HA ASP 31 20.887 10.382 -3.916 247 1HB ASP 31 2HB ASP 31 19.171 7.953 -3.391 248 2HB ASP 31 1HB ASP 31 20.874 8.010 -3.849 249 H GLY 32 H GLY 32 19.123 11.908 -5.155 250 1HA GLY 32 2HA GLY 32 18.738 10.849 -7.701 251 2HA GLY 32 1HA GLY 32 17.243 10.484 -6.841 252 H SER 33 H SER 33 19.157 13.359 -6.165 253 HA SER 33 HA SER 33 16.915 15.107 -6.430 254 1HB SER 33 2HB SER 33 18.931 15.672 -5.103 255 2HB SER 33 1HB SER 33 19.870 15.778 -6.590 256 HG SER 33 HG SER 33 18.116 17.557 -5.473 257 H ASP 34 H ASP 34 19.317 16.627 -8.171 258 HA ASP 34 HA ASP 34 19.276 17.453 -10.376 259 1HB ASP 34 2HB ASP 34 19.908 14.760 -10.357 260 2HB ASP 34 1HB ASP 34 18.618 14.848 -11.557 261 HA PRO 35 HA PRO 35 14.546 16.926 -10.476 262 1HB PRO 35 2HB PRO 35 13.928 19.438 -9.543 263 2HB PRO 35 1HB PRO 35 14.063 18.006 -8.505 264 1HG PRO 35 2HG PRO 35 16.017 20.197 -8.973 265 2HG PRO 35 1HG PRO 35 15.635 19.321 -7.482 266 1HD PRO 35 2HD PRO 35 17.864 18.795 -8.979 267 2HD PRO 35 1HD PRO 35 17.050 17.564 -7.991 268 H ASP 36 H ASP 36 16.970 18.929 -11.743 269 HA ASP 36 HA ASP 36 15.217 20.553 -13.442 270 1HB ASP 36 2HB ASP 36 17.429 21.197 -14.521 271 2HB ASP 36 1HB ASP 36 17.297 21.571 -12.802 272 H ALA 37 H ALA 37 15.902 17.367 -13.472 273 HA ALA 37 HA ALA 37 16.332 17.158 -16.402 274 1HB ALA 37 1HB ALA 37 17.646 15.672 -14.934 275 2HB ALA 37 2HB ALA 37 16.559 14.736 -15.961 276 3HB ALA 37 3HB ALA 37 16.154 15.009 -14.266 277 H LEU 38 H LEU 38 14.582 14.570 -15.073 278 HA LEU 38 HA LEU 38 11.907 15.621 -15.424 279 1HB LEU 38 2HB LEU 38 13.276 14.877 -17.794 280 2HB LEU 38 1HB LEU 38 12.106 13.598 -17.468 281 HG LEU 38 HG LEU 38 11.375 16.531 -17.381 282 1HD1 LEU 38 1HD1 LEU 38 11.751 14.704 -19.678 283 2HD1 LEU 38 2HD1 LEU 38 11.748 16.466 -19.630 284 3HD1 LEU 38 3HD1 LEU 38 10.223 15.583 -19.662 285 1HD2 LEU 38 1HD2 LEU 38 9.085 15.573 -17.698 286 2HD2 LEU 38 2HD2 LEU 38 9.848 15.032 -16.203 287 3HD2 LEU 38 3HD2 LEU 38 9.782 13.956 -17.599 288 H TYR 39 H TYR 39 10.374 14.131 -14.661 289 HA TYR 39 HA TYR 39 11.445 11.451 -13.880 290 1HB TYR 39 2HB TYR 39 10.216 13.576 -12.242 291 2HB TYR 39 1HB TYR 39 9.536 11.970 -11.982 292 HD1 TYR 39 HD1 TYR 39 10.647 10.440 -10.604 293 HD2 TYR 39 HD2 TYR 39 12.822 13.753 -12.255 294 HE1 TYR 39 HE1 TYR 39 12.627 9.813 -9.248 295 HE2 TYR 39 HE2 TYR 39 14.804 13.127 -10.900 296 HH TYR 39 HH TYR 39 15.211 11.851 -8.723 297 H GLU 40 H GLU 40 10.210 9.809 -14.676 298 HA GLU 40 HA GLU 40 7.535 10.496 -15.778 299 1HB GLU 40 2HB GLU 40 7.851 8.003 -16.640 300 2HB GLU 40 1HB GLU 40 8.655 9.346 -17.453 301 1HG GLU 40 2HG GLU 40 10.724 8.907 -16.341 302 2HG GLU 40 1HG GLU 40 9.958 7.794 -15.207 303 H ILE 41 H ILE 41 5.791 10.015 -14.548 304 HA ILE 41 HA ILE 41 6.105 8.105 -12.303 305 HB ILE 41 HB ILE 41 4.019 10.160 -13.040 306 1HG1 ILE 41 2HG1 ILE 41 4.654 11.130 -10.904 307 2HG1 ILE 41 1HG1 ILE 41 5.664 9.734 -10.525 308 1HG2 ILE 41 1HG2 ILE 41 2.740 8.273 -12.266 309 2HG2 ILE 41 2HG2 ILE 41 2.861 9.402 -10.916 310 3HG2 ILE 41 3HG2 ILE 41 3.881 7.964 -10.958 311 1HD1 ILE 41 1HD1 ILE 41 7.287 10.312 -12.109 312 2HD1 ILE 41 2HD1 ILE 41 6.790 11.891 -11.497 313 3HD1 ILE 41 3HD1 ILE 41 6.165 11.306 -13.039 314 H GLU 42 H GLU 42 4.751 6.279 -12.065 315 HA GLU 42 HA GLU 42 3.192 5.523 -14.505 316 1HB GLU 42 2HB GLU 42 5.368 4.254 -14.207 317 2HB GLU 42 1HB GLU 42 4.699 3.600 -12.712 318 1HG GLU 42 2HG GLU 42 2.912 2.513 -13.878 319 2HG GLU 42 1HG GLU 42 3.275 3.376 -15.372 320 H HIS 43 H HIS 43 1.074 5.564 -13.911 321 HA HIS 43 HA HIS 43 0.358 4.900 -11.107 322 1HB HIS 43 2HB HIS 43 -1.297 6.062 -13.368 323 2HB HIS 43 1HB HIS 43 -1.875 5.798 -11.722 324 HD2 HIS 43 HD2 HIS 43 0.087 8.454 -13.716 325 HE1 HIS 43 HE1 HIS 43 0.508 9.458 -9.636 326 HE2 HIS 43 HE2 HIS 43 0.883 10.260 -12.012 327 H HIS 44 H HIS 44 -1.444 3.404 -10.718 328 HA HIS 44 HA HIS 44 -1.879 1.445 -12.929 329 1HB HIS 44 2HB HIS 44 -1.611 0.493 -10.095 330 2HB HIS 44 1HB HIS 44 -1.330 -0.387 -11.597 331 HD2 HIS 44 HD2 HIS 44 0.953 1.345 -13.037 332 HE1 HIS 44 HE1 HIS 44 3.011 1.310 -9.348 333 HE2 HIS 44 HE2 HIS 44 3.244 1.710 -11.843 334 H LEU 45 H LEU 45 -4.032 1.785 -13.320 335 HA LEU 45 HA LEU 45 -5.862 1.748 -10.951 336 1HB LEU 45 2HB LEU 45 -6.744 2.934 -13.549 337 2HB LEU 45 1HB LEU 45 -7.190 3.384 -11.903 338 HG LEU 45 HG LEU 45 -4.634 4.048 -11.733 339 1HD1 LEU 45 1HD1 LEU 45 -4.515 3.125 -14.240 340 2HD1 LEU 45 2HD1 LEU 45 -3.529 4.488 -13.713 341 3HD1 LEU 45 3HD1 LEU 45 -5.022 4.774 -14.604 342 1HD2 LEU 45 1HD2 LEU 45 -5.250 6.333 -12.394 343 2HD2 LEU 45 2HD2 LEU 45 -6.580 5.580 -11.516 344 3HD2 LEU 45 3HD2 LEU 45 -6.650 5.717 -13.272 345 H PHE 46 H PHE 46 -7.449 0.183 -10.988 346 HA PHE 46 HA PHE 46 -7.672 -1.424 -13.501 347 1HB PHE 46 2HB PHE 46 -8.628 -3.003 -11.399 348 2HB PHE 46 1HB PHE 46 -7.069 -3.170 -12.205 349 HD1 PHE 46 HD1 PHE 46 -8.655 -2.618 -9.098 350 HD2 PHE 46 HD2 PHE 46 -5.199 -1.473 -11.377 351 HE1 PHE 46 HE1 PHE 46 -7.502 -1.944 -7.010 352 HE2 PHE 46 HE2 PHE 46 -4.044 -0.800 -9.288 353 HZ PHE 46 HZ PHE 46 -5.195 -1.035 -7.103 354 H ALA 47 H ALA 47 -9.797 -2.293 -13.973 355 HA ALA 47 HA ALA 47 -12.010 -0.782 -12.639 356 1HB ALA 47 1HB ALA 47 -11.345 -0.164 -15.089 357 2HB ALA 47 2HB ALA 47 -13.050 -0.401 -14.711 358 3HB ALA 47 3HB ALA 47 -12.138 -1.680 -15.511 359 H GLU 48 H GLU 48 -14.196 -1.956 -13.126 360 HA GLU 48 HA GLU 48 -13.731 -4.892 -12.783 361 1HB GLU 48 2HB GLU 48 -15.878 -3.070 -11.668 362 2HB GLU 48 1HB GLU 48 -15.988 -4.831 -11.613 363 1HG GLU 48 2HG GLU 48 -13.845 -4.925 -10.385 364 2HG GLU 48 1HG GLU 48 -13.748 -3.164 -10.426 365 H ASP 49 H ASP 49 -15.054 -2.512 -14.809 366 HA ASP 49 HA ASP 49 -16.568 -4.622 -16.287 367 1HB ASP 49 2HB ASP 49 -18.086 -2.996 -15.073 368 2HB ASP 49 1HB ASP 49 -17.417 -1.720 -16.091 369 H PHE 50 H PHE 50 -15.637 -4.881 -18.256 370 HA PHE 50 HA PHE 50 -13.564 -3.347 -19.333 371 1HB PHE 50 2HB PHE 50 -14.076 -4.382 -21.485 372 2HB PHE 50 1HB PHE 50 -14.305 -5.571 -20.201 373 HD1 PHE 50 HD1 PHE 50 -15.832 -3.887 -22.968 374 HD2 PHE 50 HD2 PHE 50 -16.692 -5.832 -19.236 375 HE1 PHE 50 HE1 PHE 50 -18.190 -4.199 -23.673 376 HE2 PHE 50 HE2 PHE 50 -19.049 -6.144 -19.941 377 HZ PHE 50 HZ PHE 50 -19.798 -5.326 -22.160 378 H ASP 51 H ASP 51 -16.996 -2.691 -19.350 379 HA ASP 51 HA ASP 51 -16.991 -0.745 -21.471 380 1HB ASP 51 2HB ASP 51 -18.828 -1.334 -19.155 381 2HB ASP 51 1HB ASP 51 -19.097 0.079 -20.177 382 H LYS 52 H LYS 52 -17.480 -0.044 -17.995 383 HA LYS 52 HA LYS 52 -16.787 2.680 -18.143 384 1HB LYS 52 2HB LYS 52 -17.780 1.380 -16.160 385 2HB LYS 52 1HB LYS 52 -16.117 0.951 -15.758 386 1HG LYS 52 2HG LYS 52 -16.065 2.910 -14.622 387 2HG LYS 52 1HG LYS 52 -15.944 3.672 -16.209 388 1HD LYS 52 2HD LYS 52 -18.593 2.998 -14.908 389 2HD LYS 52 1HD LYS 52 -17.804 4.565 -14.722 390 1HE LYS 52 2HE LYS 52 -19.206 4.937 -16.561 391 2HE LYS 52 1HE LYS 52 -17.677 4.524 -17.336 392 1HZ LYS 52 1HZ LYS 52 -20.001 3.316 -17.864 393 2HZ LYS 52 2HZ LYS 52 -19.372 2.272 -16.680 394 3HZ LYS 52 3HZ LYS 52 -18.484 2.592 -18.093 395 H LEU 53 H LEU 53 -14.747 -0.153 -18.096 396 HA LEU 53 HA LEU 53 -12.294 1.029 -17.285 397 1HB LEU 53 2HB LEU 53 -12.700 -1.429 -17.630 398 2HB LEU 53 1HB LEU 53 -12.651 -1.145 -19.369 399 HG LEU 53 HG LEU 53 -10.401 -0.334 -17.515 400 1HD1 LEU 53 1HD1 LEU 53 -10.285 -2.752 -19.291 401 2HD1 LEU 53 2HD1 LEU 53 -11.029 -2.888 -17.698 402 3HD1 LEU 53 3HD1 LEU 53 -9.345 -2.386 -17.846 403 1HD2 LEU 53 1HD2 LEU 53 -9.911 0.784 -19.450 404 2HD2 LEU 53 2HD2 LEU 53 -10.950 -0.252 -20.429 405 3HD2 LEU 53 3HD2 LEU 53 -9.336 -0.796 -19.978 406 H GLU 54 H GLU 54 -13.631 0.612 -20.581 407 HA GLU 54 HA GLU 54 -11.502 2.026 -21.885 408 1HB GLU 54 2HB GLU 54 -13.191 0.500 -22.996 409 2HB GLU 54 1HB GLU 54 -14.367 1.806 -22.841 410 1HG GLU 54 2HG GLU 54 -13.466 2.100 -25.009 411 2HG GLU 54 1HG GLU 54 -12.602 3.280 -24.020 412 H LYS 55 H LYS 55 -14.503 3.081 -20.359 413 HA LYS 55 HA LYS 55 -14.499 5.748 -21.436 414 1HB LYS 55 2HB LYS 55 -15.984 4.245 -19.436 415 2HB LYS 55 1HB LYS 55 -15.666 5.890 -18.889 416 1HG LYS 55 2HG LYS 55 -17.694 6.073 -20.085 417 2HG LYS 55 1HG LYS 55 -16.479 6.617 -21.239 418 1HD LYS 55 2HD LYS 55 -17.462 5.092 -22.619 419 2HD LYS 55 1HD LYS 55 -16.476 3.933 -21.726 420 1HE LYS 55 2HE LYS 55 -18.400 3.726 -20.081 421 2HE LYS 55 1HE LYS 55 -19.371 4.659 -21.220 422 1HZ LYS 55 1HZ LYS 55 -19.820 2.650 -22.073 423 2HZ LYS 55 2HZ LYS 55 -18.450 1.920 -21.381 424 3HZ LYS 55 3HZ LYS 55 -18.307 2.806 -22.823 425 H ALA 56 H ALA 56 -13.651 4.706 -18.109 426 HA ALA 56 HA ALA 56 -12.414 7.145 -17.363 427 1HB ALA 56 1HB ALA 56 -11.793 6.052 -15.427 428 2HB ALA 56 2HB ALA 56 -11.314 4.586 -16.282 429 3HB ALA 56 3HB ALA 56 -13.022 4.926 -16.004 430 H ALA 57 H ALA 57 -11.104 4.326 -19.054 431 HA ALA 57 HA ALA 57 -8.348 5.178 -18.902 432 1HB ALA 57 1HB ALA 57 -8.708 2.880 -19.399 433 2HB ALA 57 2HB ALA 57 -8.119 3.581 -20.907 434 3HB ALA 57 3HB ALA 57 -9.841 3.257 -20.698 435 H VAL 58 H VAL 58 -10.947 5.661 -21.271 436 HA VAL 58 HA VAL 58 -9.307 6.972 -23.238 437 HB VAL 58 HB VAL 58 -12.252 6.783 -22.694 438 1HG1 VAL 58 1HG1 VAL 58 -12.279 9.021 -23.361 439 2HG1 VAL 58 2HG1 VAL 58 -12.402 8.190 -24.911 440 3HG1 VAL 58 3HG1 VAL 58 -10.851 8.838 -24.379 441 1HG2 VAL 58 1HG2 VAL 58 -10.892 6.371 -25.332 442 2HG2 VAL 58 2HG2 VAL 58 -12.267 5.514 -24.639 443 3HG2 VAL 58 3HG2 VAL 58 -10.636 5.178 -24.060 444 H GLU 59 H GLU 59 -11.476 8.260 -20.698 445 HA GLU 59 HA GLU 59 -10.983 11.011 -21.202 446 1HB GLU 59 2HB GLU 59 -12.244 9.424 -19.142 447 2HB GLU 59 1HB GLU 59 -11.292 10.714 -18.408 448 1HG GLU 59 2HG GLU 59 -13.529 11.557 -18.853 449 2HG GLU 59 1HG GLU 59 -12.398 12.342 -19.957 450 H ALA 60 H ALA 60 -9.423 8.887 -18.768 451 HA ALA 60 HA ALA 60 -7.529 10.705 -17.795 452 1HB ALA 60 1HB ALA 60 -6.988 7.774 -18.356 453 2HB ALA 60 2HB ALA 60 -7.892 8.360 -16.959 454 3HB ALA 60 3HB ALA 60 -6.191 8.786 -17.151 455 H PHE 61 H PHE 61 -7.465 8.829 -20.796 456 HA PHE 61 HA PHE 61 -4.749 9.614 -21.480 457 1HB PHE 61 2HB PHE 61 -5.428 7.646 -22.565 458 2HB PHE 61 1HB PHE 61 -7.021 8.296 -22.951 459 HD1 PHE 61 HD1 PHE 61 -7.406 8.998 -25.138 460 HD2 PHE 61 HD2 PHE 61 -3.402 9.077 -23.584 461 HE1 PHE 61 HE1 PHE 61 -6.563 9.754 -27.344 462 HE2 PHE 61 HE2 PHE 61 -2.560 9.834 -25.790 463 HZ PHE 61 HZ PHE 61 -4.140 10.172 -27.670 464 H LYS 62 H LYS 62 -7.980 10.878 -22.092 465 HA LYS 62 HA LYS 62 -7.297 12.737 -24.152 466 1HB LYS 62 2HB LYS 62 -9.634 12.031 -23.193 467 2HB LYS 62 1HB LYS 62 -9.369 13.359 -22.061 468 1HG LYS 62 2HG LYS 62 -8.926 14.857 -24.035 469 2HG LYS 62 1HG LYS 62 -9.412 13.526 -25.086 470 1HD LYS 62 2HD LYS 62 -11.619 13.795 -24.612 471 2HD LYS 62 1HD LYS 62 -11.309 14.104 -22.903 472 1HE LYS 62 2HE LYS 62 -10.955 16.383 -23.239 473 2HE LYS 62 1HE LYS 62 -10.522 16.168 -24.935 474 1HZ LYS 62 1HZ LYS 62 -13.240 15.589 -23.925 475 2HZ LYS 62 2HZ LYS 62 -12.743 15.833 -25.530 476 3HZ LYS 62 3HZ LYS 62 -12.791 17.139 -24.445 477 H MET 63 H MET 63 -7.223 12.989 -20.609 478 HA MET 63 HA MET 63 -6.600 15.758 -20.437 479 1HB MET 63 2HB MET 63 -5.620 13.538 -18.616 480 2HB MET 63 1HB MET 63 -5.739 15.250 -18.209 481 1HG MET 63 2HG MET 63 -8.276 14.801 -19.035 482 2HG MET 63 1HG MET 63 -7.877 13.200 -18.411 483 1HE MET 63 1HE MET 63 -9.030 13.589 -15.012 484 2HE MET 63 2HE MET 63 -8.077 12.547 -16.067 485 3HE MET 63 3HE MET 63 -9.603 13.213 -16.643 486 H GLY 64 H GLY 64 -4.393 12.937 -20.506 487 1HA GLY 64 2HA GLY 64 -2.487 13.669 -22.262 488 2HA GLY 64 1HA GLY 64 -2.101 14.752 -20.924 489 H PHE 65 H PHE 65 -3.358 11.471 -20.548 490 HA PHE 65 HA PHE 65 -0.783 10.768 -19.202 491 1HB PHE 65 2HB PHE 65 -3.620 9.806 -18.772 492 2HB PHE 65 1HB PHE 65 -2.223 8.981 -18.081 493 HD1 PHE 65 HD1 PHE 65 -3.590 12.466 -18.414 494 HD2 PHE 65 HD2 PHE 65 -1.537 9.609 -15.949 495 HE1 PHE 65 HE1 PHE 65 -3.531 14.111 -16.558 496 HE2 PHE 65 HE2 PHE 65 -1.478 11.253 -14.094 497 HZ PHE 65 HZ PHE 65 -2.474 13.503 -14.397 498 H GLU 66 H GLU 66 0.274 8.874 -19.809 499 HA GLU 66 HA GLU 66 -0.531 7.727 -22.398 500 1HB GLU 66 2HB GLU 66 1.914 7.894 -20.799 501 2HB GLU 66 1HB GLU 66 1.662 6.282 -21.469 502 1HG GLU 66 2HG GLU 66 2.869 7.455 -23.144 503 2HG GLU 66 1HG GLU 66 1.197 7.466 -23.705 504 H VAL 67 H VAL 67 -2.521 6.697 -21.552 505 HA VAL 67 HA VAL 67 -2.502 4.739 -19.478 506 HB VAL 67 HB VAL 67 -4.601 5.642 -20.313 507 1HG1 VAL 67 1HG1 VAL 67 -5.364 5.350 -22.547 508 2HG1 VAL 67 2HG1 VAL 67 -4.128 4.140 -22.892 509 3HG1 VAL 67 3HG1 VAL 67 -3.674 5.833 -22.703 510 1HG2 VAL 67 1HG2 VAL 67 -4.346 2.704 -21.035 511 2HG2 VAL 67 2HG2 VAL 67 -5.841 3.546 -20.630 512 3HG2 VAL 67 3HG2 VAL 67 -4.594 3.325 -19.402 513 H LEU 68 H LEU 68 -1.655 2.716 -19.450 514 HA LEU 68 HA LEU 68 -0.681 1.581 -22.029 515 1HB LEU 68 2HB LEU 68 0.770 1.918 -19.839 516 2HB LEU 68 1HB LEU 68 0.000 0.406 -19.355 517 HG LEU 68 HG LEU 68 0.696 -0.413 -21.742 518 1HD1 LEU 68 1HD1 LEU 68 2.963 1.507 -21.369 519 2HD1 LEU 68 2HD1 LEU 68 1.489 2.092 -22.142 520 3HD1 LEU 68 3HD1 LEU 68 2.377 0.740 -22.846 521 1HD2 LEU 68 1HD2 LEU 68 2.207 -0.194 -19.209 522 2HD2 LEU 68 2HD2 LEU 68 3.189 -0.574 -20.623 523 3HD2 LEU 68 3HD2 LEU 68 1.840 -1.620 -20.181 524 H GLU 69 H GLU 69 -1.365 -0.472 -22.695 525 HA GLU 69 HA GLU 69 -3.932 -1.360 -22.194 526 1HB GLU 69 2HB GLU 69 -1.458 -2.967 -22.869 527 2HB GLU 69 1HB GLU 69 -3.072 -3.676 -22.837 528 1HG GLU 69 2HG GLU 69 -3.118 -1.201 -24.327 529 2HG GLU 69 1HG GLU 69 -1.870 -2.268 -24.972 530 H ALA 70 H ALA 70 -4.684 -3.313 -20.962 531 HA ALA 70 HA ALA 70 -3.315 -3.428 -18.307 532 1HB ALA 70 1HB ALA 70 -5.545 -2.477 -18.131 533 2HB ALA 70 2HB ALA 70 -5.571 -4.097 -17.434 534 3HB ALA 70 3HB ALA 70 -6.228 -3.820 -19.047 535 H GLU 71 H GLU 71 -3.810 -5.601 -17.153 536 HA GLU 71 HA GLU 71 -3.754 -7.835 -19.141 537 1HB GLU 71 2HB GLU 71 -1.471 -7.287 -18.209 538 2HB GLU 71 1HB GLU 71 -2.088 -7.708 -16.611 539 1HG GLU 71 2HG GLU 71 -2.877 -9.868 -18.138 540 2HG GLU 71 1HG GLU 71 -1.307 -9.464 -18.832 541 H GLU 72 H GLU 72 -4.890 -9.687 -18.510 542 HA GLU 72 HA GLU 72 -7.061 -9.452 -16.746 543 1HB GLU 72 2HB GLU 72 -6.981 -12.017 -16.707 544 2HB GLU 72 1HB GLU 72 -7.090 -11.262 -18.298 545 1HG GLU 72 2HG GLU 72 -4.862 -11.721 -18.819 546 2HG GLU 72 1HG GLU 72 -4.389 -11.849 -17.125 547 H THR 73 H THR 73 -7.308 -9.709 -14.552 548 HA THR 73 HA THR 73 -4.878 -10.546 -13.018 549 HB THR 73 HB THR 73 -6.665 -8.874 -11.473 550 HG1 THR 73 HG1 THR 73 -6.376 -8.209 -14.056 551 1HG2 THR 73 1HG2 THR 73 -4.167 -9.417 -11.202 552 2HG2 THR 73 2HG2 THR 73 -4.650 -7.741 -10.941 553 3HG2 THR 73 3HG2 THR 73 -3.891 -8.213 -12.462 554 H GLU 74 H GLU 74 -5.906 -10.806 -10.525 555 HA GLU 74 HA GLU 74 -8.464 -12.007 -10.269 556 1HB GLU 74 2HB GLU 74 -7.688 -14.429 -10.127 557 2HB GLU 74 1HB GLU 74 -7.758 -13.754 -11.754 558 1HG GLU 74 2HG GLU 74 -5.607 -14.400 -11.985 559 2HG GLU 74 1HG GLU 74 -5.197 -13.095 -10.873 560 H ASP 75 H ASP 75 -8.827 -12.609 -8.099 561 HA ASP 75 HA ASP 75 -6.593 -11.938 -6.263 562 1HB ASP 75 2HB ASP 75 -9.570 -12.282 -5.806 563 2HB ASP 75 1HB ASP 75 -8.411 -11.926 -4.525 564 H GLU 76 H GLU 76 -8.248 -14.662 -7.511 565 HA GLU 76 HA GLU 76 -6.618 -16.479 -5.952 566 1HB GLU 76 2HB GLU 76 -8.487 -15.803 -4.342 567 2HB GLU 76 1HB GLU 76 -9.595 -16.639 -5.430 568 1HG GLU 76 2HG GLU 76 -7.232 -18.244 -4.798 569 2HG GLU 76 1HG GLU 76 -8.164 -17.819 -3.363 570 H ASP 77 H ASP 77 -7.163 -15.989 -8.742 571 HA ASP 77 HA ASP 77 -7.588 -17.220 -10.696 572 1HB ASP 77 2HB ASP 77 -6.410 -18.957 -9.019 573 2HB ASP 77 1HB ASP 77 -7.987 -19.735 -9.145 574 H GLY 78 H GLY 78 -9.816 -16.115 -9.031 575 1HA GLY 78 2HA GLY 78 -11.973 -17.850 -10.154 576 2HA GLY 78 1HA GLY 78 -12.103 -17.213 -8.515 577 H ASN 79 H ASN 79 -10.559 -14.796 -9.991 578 HA ASN 79 HA ASN 79 -13.044 -13.581 -11.119 579 1HB ASN 79 2HB ASN 79 -11.857 -12.870 -8.677 580 2HB ASN 79 1HB ASN 79 -11.337 -11.624 -9.811 581 1HD2 ASN 79 1HD2 ASN 79 -13.650 -12.010 -7.596 582 2HD2 ASN 79 2HD2 ASN 79 -14.966 -11.254 -8.353 583 H LYS 80 H LYS 80 -12.601 -11.813 -12.640 584 HA LYS 80 HA LYS 80 -9.813 -11.851 -13.713 585 1HB LYS 80 2HB LYS 80 -12.396 -11.923 -15.303 586 2HB LYS 80 1HB LYS 80 -10.785 -11.744 -16.001 587 1HG LYS 80 2HG LYS 80 -10.482 -13.950 -14.369 588 2HG LYS 80 1HG LYS 80 -12.123 -14.154 -14.985 589 1HD LYS 80 2HD LYS 80 -11.287 -13.860 -17.295 590 2HD LYS 80 1HD LYS 80 -9.645 -13.693 -16.672 591 1HE LYS 80 2HE LYS 80 -9.487 -15.931 -16.091 592 2HE LYS 80 1HE LYS 80 -11.229 -16.105 -15.876 593 1HZ LYS 80 1HZ LYS 80 -9.734 -15.924 -18.428 594 2HZ LYS 80 2HZ LYS 80 -11.425 -15.795 -18.331 595 3HZ LYS 80 3HZ LYS 80 -10.652 -17.231 -17.857 596 H LEU 81 H LEU 81 -9.212 -9.814 -12.988 597 HA LEU 81 HA LEU 81 -11.024 -7.538 -13.661 598 1HB LEU 81 2HB LEU 81 -8.591 -7.128 -11.988 599 2HB LEU 81 1HB LEU 81 -10.194 -6.411 -11.833 600 HG LEU 81 HG LEU 81 -9.541 -9.300 -11.184 601 1HD1 LEU 81 1HD1 LEU 81 -9.297 -8.720 -8.962 602 2HD1 LEU 81 2HD1 LEU 81 -10.298 -7.277 -9.119 603 3HD1 LEU 81 3HD1 LEU 81 -8.638 -7.269 -9.716 604 1HD2 LEU 81 1HD2 LEU 81 -11.882 -8.858 -11.884 605 2HD2 LEU 81 2HD2 LEU 81 -12.001 -7.603 -10.651 606 3HD2 LEU 81 3HD2 LEU 81 -11.787 -9.289 -10.177 607 H LEU 82 H LEU 82 -9.634 -5.459 -14.162 608 HA LEU 82 HA LEU 82 -7.387 -6.225 -15.979 609 1HB LEU 82 2HB LEU 82 -9.671 -4.306 -16.509 610 2HB LEU 82 1HB LEU 82 -8.204 -4.358 -17.489 611 HG LEU 82 HG LEU 82 -8.941 -7.022 -17.339 612 1HD1 LEU 82 1HD1 LEU 82 -11.398 -5.259 -17.530 613 2HD1 LEU 82 2HD1 LEU 82 -11.098 -6.556 -16.374 614 3HD1 LEU 82 3HD1 LEU 82 -11.365 -6.936 -18.075 615 1HD2 LEU 82 1HD2 LEU 82 -8.138 -5.699 -19.313 616 2HD2 LEU 82 2HD2 LEU 82 -9.759 -5.024 -19.472 617 3HD2 LEU 82 3HD2 LEU 82 -9.498 -6.754 -19.695 618 H CYS 83 H CYS 83 -5.584 -4.925 -15.793 619 HA CYS 83 HA CYS 83 -5.861 -2.487 -14.083 620 1HB CYS 83 2HB CYS 83 -3.417 -4.265 -14.170 621 2HB CYS 83 1HB CYS 83 -3.785 -2.987 -13.012 622 HG CYS 83 HG CYS 83 -4.907 -5.846 -12.935 623 H PHE 84 H PHE 84 -5.782 -0.925 -15.698 624 HA PHE 84 HA PHE 84 -3.695 -1.129 -17.785 625 1HB PHE 84 2HB PHE 84 -4.760 1.108 -18.508 626 2HB PHE 84 1HB PHE 84 -5.755 -0.340 -18.661 627 HD1 PHE 84 HD1 PHE 84 -7.283 -0.936 -16.642 628 HD2 PHE 84 HD2 PHE 84 -5.538 2.939 -17.263 629 HE1 PHE 84 HE1 PHE 84 -8.984 0.071 -15.144 630 HE2 PHE 84 HE2 PHE 84 -7.238 3.946 -15.765 631 HZ PHE 84 HZ PHE 84 -8.962 2.511 -14.706 632 H ASP 85 H ASP 85 -1.921 0.296 -17.888 633 HA ASP 85 HA ASP 85 -1.412 1.788 -15.359 634 1HB ASP 85 2HB ASP 85 0.679 1.301 -17.457 635 2HB ASP 85 1HB ASP 85 0.868 1.449 -15.710 636 H ALA 86 H ALA 86 -0.278 3.895 -15.568 637 HA ALA 86 HA ALA 86 -0.796 5.286 -18.152 638 1HB ALA 86 1HB ALA 86 -2.373 5.634 -15.855 639 2HB ALA 86 2HB ALA 86 -2.320 6.696 -17.263 640 3HB ALA 86 3HB ALA 86 -1.287 7.023 -15.872 641 H THR 87 H THR 87 0.835 6.730 -18.687 642 HA THR 87 HA THR 87 2.975 7.113 -16.629 643 HB THR 87 HB THR 87 4.128 7.553 -19.139 644 HG1 THR 87 HG1 THR 87 3.489 5.836 -20.361 645 1HG2 THR 87 1HG2 THR 87 5.280 5.394 -18.652 646 2HG2 THR 87 2HG2 THR 87 4.114 5.098 -17.363 647 3HG2 THR 87 3HG2 THR 87 5.221 6.467 -17.254 648 H MET 88 H MET 88 3.643 9.204 -16.256 649 HA MET 88 HA MET 88 2.737 11.331 -18.132 650 1HB MET 88 2HB MET 88 1.061 11.157 -16.296 651 2HB MET 88 1HB MET 88 2.350 11.433 -15.124 652 1HG MET 88 2HG MET 88 1.323 13.564 -15.501 653 2HG MET 88 1HG MET 88 2.856 13.595 -16.372 654 1HE MET 88 1HE MET 88 -0.695 14.111 -16.297 655 2HE MET 88 2HE MET 88 -1.053 14.722 -17.910 656 3HE MET 88 3HE MET 88 0.174 15.517 -16.927 657 H GLN 89 H GLN 89 4.505 12.525 -18.639 658 HA GLN 89 HA GLN 89 6.924 12.347 -16.997 659 1HB GLN 89 2HB GLN 89 6.284 13.906 -19.518 660 2HB GLN 89 1HB GLN 89 7.873 13.872 -18.752 661 1HG GLN 89 2HG GLN 89 8.329 11.980 -19.878 662 2HG GLN 89 1HG GLN 89 7.049 11.175 -18.971 663 1HE2 GLN 89 1HE2 GLN 89 5.286 10.445 -20.185 664 2HE2 GLN 89 2HE2 GLN 89 4.929 10.943 -21.767 665 H SER 90 H SER 90 7.278 13.679 -15.298 666 HA SER 90 HA SER 90 6.417 16.508 -15.479 667 1HB SER 90 2HB SER 90 4.811 16.375 -13.897 668 2HB SER 90 1HB SER 90 4.903 14.624 -14.065 669 HG SER 90 HG SER 90 5.494 14.761 -12.040 670 H ALA 91 H ALA 91 7.231 17.604 -13.272 671 HA ALA 91 HA ALA 91 10.083 16.846 -13.073 672 1HB ALA 91 1HB ALA 91 8.762 19.182 -11.689 673 2HB ALA 91 2HB ALA 91 9.207 19.254 -13.394 674 3HB ALA 91 3HB ALA 91 10.450 19.005 -12.169 675 H LEU 92 H LEU 92 11.043 16.156 -11.152 676 HA LEU 92 HA LEU 92 9.519 14.672 -9.299 677 1HB LEU 92 2HB LEU 92 12.010 14.505 -9.662 678 2HB LEU 92 1HB LEU 92 12.189 15.990 -8.726 679 HG LEU 92 HG LEU 92 10.733 14.698 -6.950 680 1HD1 LEU 92 1HD1 LEU 92 10.651 12.400 -7.099 681 2HD1 LEU 92 2HD1 LEU 92 12.146 12.302 -8.029 682 3HD1 LEU 92 3HD1 LEU 92 10.645 12.782 -8.821 683 1HD2 LEU 92 1HD2 LEU 92 13.627 13.932 -7.457 684 2HD2 LEU 92 2HD2 LEU 92 12.792 13.902 -5.903 685 3HD2 LEU 92 3HD2 LEU 92 13.110 15.440 -6.703 686 H ASP 93 H ASP 93 7.845 15.690 -8.227 687 HA ASP 93 HA ASP 93 8.580 17.674 -6.189 688 1HB ASP 93 2HB ASP 93 7.192 18.404 -8.687 689 2HB ASP 93 1HB ASP 93 6.373 18.943 -7.222 690 H ALA 94 H ALA 94 7.443 17.140 -4.389 691 HA ALA 94 HA ALA 94 5.481 15.070 -4.360 692 1HB ALA 94 1HB ALA 94 5.658 15.269 -2.108 693 2HB ALA 94 2HB ALA 94 5.265 16.989 -2.148 694 3HB ALA 94 3HB ALA 94 6.920 16.453 -2.443 695 H LYS 95 H LYS 95 5.167 18.614 -4.373 696 HA LYS 95 HA LYS 95 2.330 18.700 -4.046 697 1HB LYS 95 2HB LYS 95 3.924 20.659 -5.709 698 2HB LYS 95 1HB LYS 95 2.465 20.967 -4.767 699 1HG LYS 95 2HG LYS 95 4.009 20.084 -2.775 700 2HG LYS 95 1HG LYS 95 5.289 20.663 -3.842 701 1HD LYS 95 2HD LYS 95 3.810 22.812 -4.034 702 2HD LYS 95 1HD LYS 95 3.065 22.219 -2.549 703 1HE LYS 95 2HE LYS 95 5.808 21.924 -2.106 704 2HE LYS 95 1HE LYS 95 5.664 23.477 -2.928 705 1HZ LYS 95 1HZ LYS 95 4.896 22.756 -0.279 706 2HZ LYS 95 2HZ LYS 95 3.599 23.443 -1.135 707 3HZ LYS 95 3HZ LYS 95 5.059 24.296 -0.972 708 H LEU 96 H LEU 96 4.266 18.949 -7.057 709 HA LEU 96 HA LEU 96 2.135 18.884 -8.886 710 1HB LEU 96 2HB LEU 96 5.008 18.110 -8.966 711 2HB LEU 96 1HB LEU 96 3.988 17.429 -10.233 712 HG LEU 96 HG LEU 96 3.118 19.875 -10.521 713 1HD1 LEU 96 1HD1 LEU 96 5.837 20.654 -9.562 714 2HD1 LEU 96 2HD1 LEU 96 4.585 20.404 -8.346 715 3HD1 LEU 96 3HD1 LEU 96 4.352 21.604 -9.617 716 1HD2 LEU 96 1HD2 LEU 96 4.295 19.094 -12.356 717 2HD2 LEU 96 2HD2 LEU 96 5.715 18.673 -11.397 718 3HD2 LEU 96 3HD2 LEU 96 5.397 20.358 -11.810 719 H ILE 97 H ILE 97 3.830 16.159 -7.343 720 HA ILE 97 HA ILE 97 2.354 14.095 -8.676 721 HB ILE 97 HB ILE 97 3.866 14.205 -6.063 722 1HG1 ILE 97 2HG1 ILE 97 4.398 12.518 -8.512 723 2HG1 ILE 97 1HG1 ILE 97 4.969 14.184 -8.404 724 1HG2 ILE 97 1HG2 ILE 97 2.535 12.468 -5.420 725 2HG2 ILE 97 2HG2 ILE 97 3.536 11.542 -6.538 726 3HG2 ILE 97 3HG2 ILE 97 1.971 12.162 -7.063 727 1HD1 ILE 97 1HD1 ILE 97 5.515 12.444 -6.055 728 2HD1 ILE 97 2HD1 ILE 97 6.522 13.693 -6.789 729 3HD1 ILE 97 3HD1 ILE 97 6.426 12.093 -7.523 730 H ASP 98 H ASP 98 1.662 16.127 -5.902 731 HA ASP 98 HA ASP 98 -0.500 14.547 -4.840 732 1HB ASP 98 2HB ASP 98 0.772 16.521 -3.737 733 2HB ASP 98 1HB ASP 98 -0.347 17.550 -4.632 734 H GLU 99 H GLU 99 -0.510 17.470 -6.920 735 HA GLU 99 HA GLU 99 -3.319 17.504 -7.368 736 1HB GLU 99 2HB GLU 99 -1.169 18.367 -9.324 737 2HB GLU 99 1HB GLU 99 -2.838 18.933 -9.270 738 1HG GLU 99 2HG GLU 99 -2.244 19.612 -6.807 739 2HG GLU 99 1HG GLU 99 -0.579 19.532 -7.382 740 H GLN 100 H GLN 100 -0.705 16.024 -9.309 741 HA GLN 100 HA GLN 100 -2.263 14.943 -11.379 742 1HB GLN 100 2HB GLN 100 0.142 13.716 -9.991 743 2HB GLN 100 1HB GLN 100 -0.505 13.177 -11.541 744 1HG GLN 100 2HG GLN 100 0.272 16.056 -11.094 745 2HG GLN 100 1HG GLN 100 1.466 14.854 -11.585 746 1HE2 GLN 100 1HE2 GLN 100 -0.026 17.213 -13.049 747 2HE2 GLN 100 2HE2 GLN 100 -0.521 16.494 -14.506 748 H VAL 101 H VAL 101 -1.409 13.361 -8.281 749 HA VAL 101 HA VAL 101 -3.014 11.038 -8.702 750 HB VAL 101 HB VAL 101 -2.191 12.384 -6.110 751 1HG1 VAL 101 1HG1 VAL 101 -2.449 9.847 -5.398 752 2HG1 VAL 101 2HG1 VAL 101 -3.577 9.803 -6.753 753 3HG1 VAL 101 3HG1 VAL 101 -3.853 10.915 -5.413 754 1HG2 VAL 101 1HG2 VAL 101 -0.197 11.265 -6.272 755 2HG2 VAL 101 2HG2 VAL 101 -0.544 11.350 -8.000 756 3HG2 VAL 101 3HG2 VAL 101 -0.923 9.883 -7.095 757 H GLU 102 H GLU 102 -3.728 13.864 -6.616 758 HA GLU 102 HA GLU 102 -6.335 13.292 -5.898 759 1HB GLU 102 2HB GLU 102 -5.128 15.336 -5.195 760 2HB GLU 102 1HB GLU 102 -5.325 16.001 -6.818 761 1HG GLU 102 2HG GLU 102 -7.834 15.684 -6.508 762 2HG GLU 102 1HG GLU 102 -7.492 15.361 -4.807 763 H LYS 103 H LYS 103 -5.193 14.346 -9.063 764 HA LYS 103 HA LYS 103 -7.805 14.898 -10.158 765 1HB LYS 103 2HB LYS 103 -5.616 15.683 -11.136 766 2HB LYS 103 1HB LYS 103 -5.323 14.025 -11.662 767 1HG LYS 103 2HG LYS 103 -6.373 14.773 -13.560 768 2HG LYS 103 1HG LYS 103 -7.814 14.350 -12.636 769 1HD LYS 103 2HD LYS 103 -7.810 16.725 -11.742 770 2HD LYS 103 1HD LYS 103 -6.559 17.088 -12.931 771 1HE LYS 103 2HE LYS 103 -8.740 15.670 -14.192 772 2HE LYS 103 1HE LYS 103 -9.349 17.093 -13.347 773 1HZ LYS 103 1HZ LYS 103 -8.242 18.488 -14.702 774 2HZ LYS 103 2HZ LYS 103 -8.314 17.181 -15.785 775 3HZ LYS 103 3HZ LYS 103 -6.906 17.458 -14.875 776 H LEU 104 H LEU 104 -5.645 12.056 -10.396 777 HA LEU 104 HA LEU 104 -7.541 10.471 -11.872 778 1HB LEU 104 2HB LEU 104 -5.069 9.828 -10.266 779 2HB LEU 104 1HB LEU 104 -6.063 8.546 -10.962 780 HG LEU 104 HG LEU 104 -5.130 10.857 -12.656 781 1HD1 LEU 104 1HD1 LEU 104 -3.169 9.739 -11.496 782 2HD1 LEU 104 2HD1 LEU 104 -3.140 9.646 -13.256 783 3HD1 LEU 104 3HD1 LEU 104 -3.636 8.244 -12.308 784 1HD2 LEU 104 1HD2 LEU 104 -6.808 8.672 -13.077 785 2HD2 LEU 104 2HD2 LEU 104 -5.277 8.164 -13.791 786 3HD2 LEU 104 3HD2 LEU 104 -6.054 9.651 -14.336 787 H VAL 105 H VAL 105 -7.127 11.188 -8.485 788 HA VAL 105 HA VAL 105 -8.644 8.935 -7.483 789 HB VAL 105 HB VAL 105 -8.147 11.651 -6.222 790 1HG1 VAL 105 1HG1 VAL 105 -8.821 9.015 -4.891 791 2HG1 VAL 105 2HG1 VAL 105 -10.035 10.232 -5.282 792 3HG1 VAL 105 3HG1 VAL 105 -8.745 10.608 -4.140 793 1HG2 VAL 105 1HG2 VAL 105 -6.117 10.871 -5.486 794 2HG2 VAL 105 2HG2 VAL 105 -6.230 9.879 -6.939 795 3HG2 VAL 105 3HG2 VAL 105 -6.682 9.205 -5.373 796 H ASN 106 H ASN 106 -9.487 12.395 -7.908 797 HA ASN 106 HA ASN 106 -12.246 12.114 -7.284 798 1HB ASN 106 2HB ASN 106 -10.532 14.128 -8.569 799 2HB ASN 106 1HB ASN 106 -12.190 14.131 -9.172 800 1HD2 ASN 106 1HD2 ASN 106 -10.575 13.783 -5.951 801 2HD2 ASN 106 2HD2 ASN 106 -11.646 14.825 -5.144 802 H LEU 107 H LEU 107 -10.589 12.005 -10.448 803 HA LEU 107 HA LEU 107 -12.930 11.518 -12.005 804 1HB LEU 107 2HB LEU 107 -10.964 12.138 -13.191 805 2HB LEU 107 1HB LEU 107 -10.008 10.867 -12.426 806 HG LEU 107 HG LEU 107 -12.388 9.917 -13.899 807 1HD1 LEU 107 1HD1 LEU 107 -11.879 11.470 -15.573 808 2HD1 LEU 107 2HD1 LEU 107 -10.906 10.081 -16.055 809 3HD1 LEU 107 3HD1 LEU 107 -10.152 11.437 -15.215 810 1HD2 LEU 107 1HD2 LEU 107 -10.834 8.326 -12.974 811 2HD2 LEU 107 2HD2 LEU 107 -9.461 9.158 -13.703 812 3HD2 LEU 107 3HD2 LEU 107 -10.614 8.298 -14.724 813 H ALA 108 H ALA 108 -10.602 9.254 -10.517 814 HA ALA 108 HA ALA 108 -11.584 6.824 -11.446 815 1HB ALA 108 1HB ALA 108 -9.667 6.891 -9.966 816 2HB ALA 108 2HB ALA 108 -10.902 5.880 -9.213 817 3HB ALA 108 3HB ALA 108 -10.650 7.533 -8.650 818 H GLU 109 H GLU 109 -12.722 8.452 -8.457 819 HA GLU 109 HA GLU 109 -14.965 6.683 -8.120 820 1HB GLU 109 2HB GLU 109 -14.034 9.241 -6.923 821 2HB GLU 109 1HB GLU 109 -15.757 8.892 -6.779 822 1HG GLU 109 2HG GLU 109 -14.264 8.010 -4.892 823 2HG GLU 109 1HG GLU 109 -15.352 6.839 -5.640 824 H LYS 110 H LYS 110 -14.411 9.423 -10.153 825 HA LYS 110 HA LYS 110 -17.153 10.244 -10.491 826 1HB LYS 110 2HB LYS 110 -14.980 11.491 -11.167 827 2HB LYS 110 1HB LYS 110 -15.036 10.498 -12.624 828 1HG LYS 110 2HG LYS 110 -17.571 11.318 -12.652 829 2HG LYS 110 1HG LYS 110 -16.895 12.663 -11.733 830 1HD LYS 110 2HD LYS 110 -15.311 13.157 -13.490 831 2HD LYS 110 1HD LYS 110 -15.764 11.698 -14.373 832 1HE LYS 110 2HE LYS 110 -16.834 14.180 -14.836 833 2HE LYS 110 1HE LYS 110 -17.628 12.660 -15.249 834 1HZ LYS 110 1HZ LYS 110 -19.245 13.515 -13.961 835 2HZ LYS 110 2HZ LYS 110 -18.192 14.526 -13.093 836 3HZ LYS 110 3HZ LYS 110 -18.309 12.878 -12.697 837 H PHE 111 H PHE 111 -15.157 7.741 -11.944 838 HA PHE 111 HA PHE 111 -17.373 7.077 -13.821 839 1HB PHE 111 2HB PHE 111 -14.432 6.549 -13.769 840 2HB PHE 111 1HB PHE 111 -15.468 5.361 -14.561 841 HD1 PHE 111 HD1 PHE 111 -13.658 8.338 -15.040 842 HD2 PHE 111 HD2 PHE 111 -17.345 6.430 -16.139 843 HE1 PHE 111 HE1 PHE 111 -13.829 9.813 -17.027 844 HE2 PHE 111 HE2 PHE 111 -17.517 7.905 -18.125 845 HZ PHE 111 HZ PHE 111 -15.759 9.597 -18.569 846 H ASP 112 H ASP 112 -14.990 4.993 -12.173 847 HA ASP 112 HA ASP 112 -16.522 3.763 -10.240 848 1HB ASP 112 2HB ASP 112 -17.480 3.092 -12.943 849 2HB ASP 112 1HB ASP 112 -17.166 1.685 -11.928 850 H ILE 113 H ILE 113 -13.814 4.138 -10.735 851 HA ILE 113 HA ILE 113 -12.852 1.314 -10.935 852 HB ILE 113 HB ILE 113 -10.696 2.321 -11.826 853 1HG1 ILE 113 2HG1 ILE 113 -12.484 4.727 -12.290 854 2HG1 ILE 113 1HG1 ILE 113 -11.248 4.646 -11.035 855 1HG2 ILE 113 1HG2 ILE 113 -12.993 1.523 -13.126 856 2HG2 ILE 113 2HG2 ILE 113 -11.454 1.864 -13.917 857 3HG2 ILE 113 3HG2 ILE 113 -12.697 3.112 -13.833 858 1HD1 ILE 113 1HD1 ILE 113 -9.489 4.523 -12.614 859 2HD1 ILE 113 2HD1 ILE 113 -10.583 5.736 -13.280 860 3HD1 ILE 113 3HD1 ILE 113 -10.586 4.095 -13.927 861 H ILE 114 H ILE 114 -11.092 0.792 -9.510 862 HA ILE 114 HA ILE 114 -10.971 2.583 -7.142 863 HB ILE 114 HB ILE 114 -11.504 0.374 -6.488 864 1HG1 ILE 114 2HG1 ILE 114 -9.584 -0.350 -5.198 865 2HG1 ILE 114 1HG1 ILE 114 -8.481 0.505 -6.277 866 1HG2 ILE 114 1HG2 ILE 114 -9.673 -1.427 -7.366 867 2HG2 ILE 114 2HG2 ILE 114 -9.696 -0.319 -8.736 868 3HG2 ILE 114 3HG2 ILE 114 -11.187 -1.099 -8.209 869 1HD1 ILE 114 1HD1 ILE 114 -9.337 1.581 -3.970 870 2HD1 ILE 114 2HD1 ILE 114 -10.654 2.109 -5.018 871 3HD1 ILE 114 3HD1 ILE 114 -8.992 2.565 -5.393 872 H TYR 115 H TYR 115 -9.328 4.046 -7.278 873 HA TYR 115 HA TYR 115 -6.837 3.338 -8.703 874 1HB TYR 115 2HB TYR 115 -7.486 5.548 -9.185 875 2HB TYR 115 1HB TYR 115 -7.967 5.868 -7.519 876 HD1 TYR 115 HD1 TYR 115 -5.031 5.270 -9.728 877 HD2 TYR 115 HD2 TYR 115 -6.412 6.691 -5.917 878 HE1 TYR 115 HE1 TYR 115 -2.771 6.172 -9.246 879 HE2 TYR 115 HE2 TYR 115 -4.153 7.594 -5.434 880 HH TYR 115 HH TYR 115 -1.599 6.811 -6.484 881 H ASP 116 H ASP 116 -5.054 2.611 -7.642 882 HA ASP 116 HA ASP 116 -4.213 3.514 -5.069 883 1HB ASP 116 2HB ASP 116 -5.899 2.354 -3.955 884 2HB ASP 116 1HB ASP 116 -5.935 1.057 -5.150 885 H GLY 117 H GLY 117 -2.329 3.533 -6.533 886 1HA GLY 117 2HA GLY 117 -0.413 1.600 -6.057 887 2HA GLY 117 1HA GLY 117 -1.245 1.004 -7.494 888 H TRP 118 H TRP 118 0.619 3.729 -6.211 889 HA TRP 118 HA TRP 118 1.255 4.468 -9.039 890 1HB TRP 118 2HB TRP 118 1.111 6.719 -8.542 891 2HB TRP 118 1HB TRP 118 -0.076 6.106 -7.392 892 HD1 TRP 118 HD1 TRP 118 0.610 6.009 -4.832 893 HE1 TRP 118 HE1 TRP 118 2.479 7.184 -3.498 894 HE3 TRP 118 HE3 TRP 118 3.564 7.610 -8.677 895 HZ2 TRP 118 HZ2 TRP 118 4.906 8.614 -3.998 896 HZ3 TRP 118 HZ3 TRP 118 5.646 8.875 -8.221 897 HH2 TRP 118 HH2 TRP 118 6.319 9.380 -5.887 898 H GLY 119 H GLY 119 3.411 4.429 -9.552 899 1HA GLY 119 2HA GLY 119 5.387 4.496 -7.326 900 2HA GLY 119 1HA GLY 119 5.439 3.154 -8.470 901 H THR 120 H THR 120 7.640 4.835 -8.200 902 HA THR 120 HA THR 120 7.651 6.150 -10.876 903 HB THR 120 HB THR 120 7.473 8.055 -9.508 904 HG1 THR 120 HG1 THR 120 9.356 8.980 -9.885 905 1HG2 THR 120 1HG2 THR 120 9.326 7.903 -7.452 906 2HG2 THR 120 2HG2 THR 120 8.673 6.266 -7.529 907 3HG2 THR 120 3HG2 THR 120 7.590 7.638 -7.291 908 H TYR 121 H TYR 121 9.735 6.121 -11.895 909 HA TYR 121 HA TYR 121 11.661 4.234 -10.598 910 1HB TYR 121 2HB TYR 121 10.412 4.084 -13.108 911 2HB TYR 121 1HB TYR 121 12.059 4.608 -13.455 912 HD1 TYR 121 HD1 TYR 121 13.880 3.347 -11.857 913 HD2 TYR 121 HD2 TYR 121 10.069 1.786 -13.077 914 HE1 TYR 121 HE1 TYR 121 14.700 1.039 -11.465 915 HE2 TYR 121 HE2 TYR 121 10.888 -0.522 -12.685 916 HH TYR 121 HH TYR 121 12.649 -1.634 -11.299 917 H TYR 122 H TYR 122 13.735 4.959 -10.279 918 HA TYR 122 HA TYR 122 14.307 7.775 -10.698 919 1HB TYR 122 2HB TYR 122 15.317 6.834 -8.775 920 2HB TYR 122 1HB TYR 122 15.907 5.432 -9.667 921 HD1 TYR 122 HD1 TYR 122 16.164 9.179 -9.777 922 HD2 TYR 122 HD2 TYR 122 18.154 5.405 -10.266 923 HE1 TYR 122 HE1 TYR 122 18.296 10.362 -10.229 924 HE2 TYR 122 HE2 TYR 122 20.286 6.588 -10.717 925 HH TYR 122 HH TYR 122 21.337 8.626 -10.507 926 H GLU 123 H GLU 123 14.633 8.438 -12.780 927 HA GLU 123 HA GLU 123 15.439 6.946 -14.988 928 1HB GLU 123 2HB GLU 123 14.682 9.310 -15.091 929 2HB GLU 123 1HB GLU 123 16.223 9.818 -14.404 930 1HG GLU 123 2HG GLU 123 16.397 8.041 -16.773 931 2HG GLU 123 1HG GLU 123 15.760 9.656 -17.077 932 H GLY 124 H GLY 124 17.106 5.468 -14.631 933 1HA GLY 124 2HA GLY 124 19.818 6.565 -14.652 934 2HA GLY 124 1HA GLY 124 19.434 5.657 -13.190 935 H LEU 125 H LEU 125 18.289 3.447 -13.750 936 HA LEU 125 HA LEU 125 18.750 1.287 -14.573 937 1HB LEU 125 2HB LEU 125 18.994 2.400 -17.329 938 2HB LEU 125 1HB LEU 125 18.017 1.053 -16.743 939 HG LEU 125 HG LEU 125 17.454 4.002 -16.317 940 1HD1 LEU 125 1HD1 LEU 125 16.887 2.370 -18.488 941 2HD1 LEU 125 2HD1 LEU 125 16.031 3.855 -18.071 942 3HD1 LEU 125 3HD1 LEU 125 15.407 2.296 -17.532 943 1HD2 LEU 125 1HD2 LEU 125 15.243 2.882 -15.416 944 2HD2 LEU 125 2HD2 LEU 125 16.642 3.032 -14.354 945 3HD2 LEU 125 3HD2 LEU 125 16.294 1.493 -15.140 946 H GLU 126 H GLU 126 20.792 0.635 -13.950 947 HA GLU 126 HA GLU 126 23.137 1.699 -15.435 948 1HB GLU 126 2HB GLU 126 23.704 -0.291 -13.376 949 2HB GLU 126 1HB GLU 126 24.294 1.365 -13.523 950 1HG GLU 126 2HG GLU 126 22.187 2.214 -12.576 951 2HG GLU 126 1HG GLU 126 21.574 0.565 -12.447 952 H HIS 127 H HIS 127 24.741 -0.688 -14.943 953 HA HIS 127 HA HIS 127 23.756 -2.295 -17.225 954 1HB HIS 127 2HB HIS 127 26.372 -2.441 -15.694 955 2HB HIS 127 1HB HIS 127 25.998 -3.310 -17.183 956 HD2 HIS 127 HD2 HIS 127 25.903 -1.667 -19.532 957 HE1 HIS 127 HE1 HIS 127 27.433 1.794 -17.655 958 HE2 HIS 127 HE2 HIS 127 26.848 0.738 -19.886 959 H HIS 128 H HIS 128 22.082 -3.530 -16.285 960 HA HIS 128 HA HIS 128 22.924 -5.916 -14.876 961 1HB HIS 128 2HB HIS 128 22.653 -3.898 -13.141 962 2HB HIS 128 1HB HIS 128 20.953 -4.349 -13.267 963 HD2 HIS 128 HD2 HIS 128 24.141 -6.743 -12.991 964 HE1 HIS 128 HE1 HIS 128 21.313 -7.824 -10.047 965 HE2 HIS 128 HE2 HIS 128 23.567 -8.398 -11.059 966 H HIS 129 H HIS 129 21.038 -7.390 -14.541 967 HA HIS 129 HA HIS 129 18.384 -6.768 -15.309 968 1HB HIS 129 2HB HIS 129 20.256 -7.161 -17.539 969 2HB HIS 129 1HB HIS 129 18.847 -8.218 -17.614 970 HD2 HIS 129 HD2 HIS 129 19.641 -4.860 -18.927 971 HE1 HIS 129 HE1 HIS 129 15.588 -4.519 -17.789 972 HE2 HIS 129 HE2 HIS 129 17.461 -3.441 -19.118 973 H HIS 130 H HIS 130 20.976 -9.141 -15.187 974 HA HIS 130 HA HIS 130 19.134 -11.054 -13.929 975 1HB HIS 130 2HB HIS 130 19.867 -12.877 -15.558 976 2HB HIS 130 1HB HIS 130 18.727 -11.694 -16.198 977 HD2 HIS 130 HD2 HIS 130 22.223 -13.052 -17.020 978 HE1 HIS 130 HE1 HIS 130 21.789 -9.486 -19.241 979 HE2 HIS 130 HE2 HIS 130 23.208 -11.564 -18.922 980 H HIS 131 H HIS 131 20.386 -11.348 -12.121 981 HA HIS 131 HA HIS 131 22.327 -11.718 -10.823 982 1HB HIS 131 2HB HIS 131 22.470 -13.715 -13.083 983 2HB HIS 131 1HB HIS 131 23.684 -13.693 -11.806 984 HD2 HIS 131 HD2 HIS 131 21.256 -12.979 -9.418 985 HE1 HIS 131 HE1 HIS 131 20.023 -16.885 -10.440 986 HE2 HIS 131 HE2 HIS 131 19.835 -15.044 -8.705 987 H HIS 132 HN HIS 132 24.300 -12.782 -13.407 988 HA HIS 132 HA HIS 132 26.200 -10.649 -12.981 989 1HB HIS 132 2HB HIS 132 25.980 -12.953 -14.901 990 2HB HIS 132 1HB HIS 132 27.203 -11.709 -15.161 991 HD2 HIS 132 HD2 HIS 132 29.458 -13.050 -14.203 992 HE1 HIS 132 HE1 HIS 132 27.902 -14.084 -10.415 993 HE2 HIS 132 HE2 HIS 132 29.981 -14.089 -11.867 Start of MODEL 17 1 1H MET 1 1H MET 1 -24.997 -0.100 -2.108 2 2H MET 1 2H MET 1 -24.636 0.438 -0.537 3 3H MET 1 3H MET 1 -25.814 1.238 -1.463 4 HA MET 1 HA MET 1 -26.488 -1.490 -1.283 5 1HB MET 1 2HB MET 1 -25.237 -0.370 1.078 6 2HB MET 1 1HB MET 1 -26.933 -0.735 1.398 7 1HG MET 1 2HG MET 1 -25.576 -2.708 1.880 8 2HG MET 1 1HG MET 1 -26.584 -3.021 0.466 9 1HE MET 1 1HE MET 1 -24.661 -5.143 -0.368 10 2HE MET 1 2HE MET 1 -24.485 -4.683 1.324 11 3HE MET 1 3HE MET 1 -23.057 -4.810 0.299 12 H SER 2 H SER 2 -27.294 1.318 0.777 13 HA SER 2 HA SER 2 -29.727 1.796 -0.837 14 1HB SER 2 2HB SER 2 -30.222 1.613 2.082 15 2HB SER 2 1HB SER 2 -31.260 1.157 0.734 16 HG SER 2 HG SER 2 -30.243 -0.755 0.583 17 H HIS 3 H HIS 3 -30.566 3.915 -0.525 18 HA HIS 3 HA HIS 3 -28.920 6.045 -0.106 19 1HB HIS 3 2HB HIS 3 -31.833 5.685 0.531 20 2HB HIS 3 1HB HIS 3 -31.037 7.203 0.948 21 HD2 HIS 3 HD2 HIS 3 -31.154 5.015 -2.401 22 HE1 HIS 3 HE1 HIS 3 -31.311 9.118 -3.389 23 HE2 HIS 3 HE2 HIS 3 -31.322 6.763 -4.330 24 H GLN 4 H GLN 4 -27.507 6.437 1.523 25 HA GLN 4 HA GLN 4 -28.455 5.984 4.325 26 1HB GLN 4 2HB GLN 4 -26.694 4.335 3.451 27 2HB GLN 4 1HB GLN 4 -25.580 5.701 3.436 28 1HG GLN 4 2HG GLN 4 -25.182 5.256 5.612 29 2HG GLN 4 1HG GLN 4 -26.809 5.856 5.937 30 1HE2 GLN 4 1HE2 GLN 4 -24.859 2.932 5.588 31 2HE2 GLN 4 2HE2 GLN 4 -26.057 1.852 6.117 32 H ASP 5 H ASP 5 -25.385 7.093 4.506 33 HA ASP 5 HA ASP 5 -26.319 9.926 4.670 34 1HB ASP 5 2HB ASP 5 -23.933 8.651 6.040 35 2HB ASP 5 1HB ASP 5 -24.575 10.269 6.328 36 H ASP 6 H ASP 6 -23.146 10.220 4.995 37 HA ASP 6 HA ASP 6 -22.272 9.859 2.225 38 1HB ASP 6 2HB ASP 6 -23.611 11.922 2.033 39 2HB ASP 6 1HB ASP 6 -22.673 12.656 3.334 40 H TYR 7 H TYR 7 -20.289 9.017 2.701 41 HA TYR 7 HA TYR 7 -18.708 10.262 4.898 42 1HB TYR 7 2HB TYR 7 -19.128 7.713 4.732 43 2HB TYR 7 1HB TYR 7 -17.970 7.745 3.401 44 HD1 TYR 7 HD1 TYR 7 -15.788 7.204 3.989 45 HD2 TYR 7 HD2 TYR 7 -18.257 9.291 6.818 46 HE1 TYR 7 HE1 TYR 7 -13.916 7.216 5.614 47 HE2 TYR 7 HE2 TYR 7 -16.385 9.303 8.443 48 HH TYR 7 HH TYR 7 -13.586 9.140 8.022 49 H LEU 8 H LEU 8 -16.160 9.920 4.224 50 HA LEU 8 HA LEU 8 -15.896 11.365 1.619 51 1HB LEU 8 2HB LEU 8 -13.858 11.374 3.852 52 2HB LEU 8 1HB LEU 8 -14.007 12.506 2.507 53 HG LEU 8 HG LEU 8 -16.487 12.462 3.967 54 1HD1 LEU 8 1HD1 LEU 8 -15.617 13.405 6.114 55 2HD1 LEU 8 2HD1 LEU 8 -13.987 12.955 5.613 56 3HD1 LEU 8 3HD1 LEU 8 -15.200 11.705 5.895 57 1HD2 LEU 8 1HD2 LEU 8 -15.829 14.344 2.624 58 2HD2 LEU 8 2HD2 LEU 8 -14.303 14.507 3.492 59 3HD2 LEU 8 3HD2 LEU 8 -15.822 14.896 4.300 60 H SER 9 H SER 9 -13.525 9.632 3.641 61 HA SER 9 HA SER 9 -12.293 7.674 3.141 62 1HB SER 9 2HB SER 9 -13.387 7.417 0.393 63 2HB SER 9 1HB SER 9 -13.127 6.180 1.620 64 HG SER 9 HG SER 9 -15.090 6.488 2.319 65 H VAL 10 H VAL 10 -12.833 9.521 0.111 66 HA VAL 10 HA VAL 10 -10.252 9.216 -0.953 67 HB VAL 10 HB VAL 10 -10.706 11.478 -2.057 68 1HG1 VAL 10 1HG1 VAL 10 -11.338 9.382 -3.134 69 2HG1 VAL 10 2HG1 VAL 10 -12.627 10.563 -3.368 70 3HG1 VAL 10 3HG1 VAL 10 -12.805 9.292 -2.159 71 1HG2 VAL 10 1HG2 VAL 10 -12.934 12.429 -1.726 72 2HG2 VAL 10 2HG2 VAL 10 -12.103 12.350 -0.172 73 3HG2 VAL 10 3HG2 VAL 10 -13.335 11.155 -0.575 74 H GLU 11 H GLU 11 -11.336 11.243 1.682 75 HA GLU 11 HA GLU 11 -9.044 13.002 1.718 76 1HB GLU 11 2HB GLU 11 -11.336 13.285 2.904 77 2HB GLU 11 1HB GLU 11 -10.650 12.251 4.159 78 1HG GLU 11 2HG GLU 11 -9.712 14.109 5.029 79 2HG GLU 11 1HG GLU 11 -8.639 14.120 3.628 80 H GLU 12 H GLU 12 -9.899 10.400 4.035 81 HA GLU 12 HA GLU 12 -7.484 10.167 5.366 82 1HB GLU 12 2HB GLU 12 -8.553 7.541 4.577 83 2HB GLU 12 1HB GLU 12 -8.347 8.233 6.186 84 1HG GLU 12 2HG GLU 12 -10.592 8.870 4.247 85 2HG GLU 12 1HG GLU 12 -10.732 7.905 5.717 86 H LEU 13 H LEU 13 -8.308 8.289 2.422 87 HA LEU 13 HA LEU 13 -5.800 7.117 1.982 88 1HB LEU 13 2HB LEU 13 -7.630 8.219 -0.171 89 2HB LEU 13 1HB LEU 13 -6.441 6.931 -0.361 90 HG LEU 13 HG LEU 13 -8.886 6.842 1.430 91 1HD1 LEU 13 1HD1 LEU 13 -9.125 6.621 -1.139 92 2HD1 LEU 13 2HD1 LEU 13 -9.829 5.348 -0.142 93 3HD1 LEU 13 3HD1 LEU 13 -8.282 5.083 -0.946 94 1HD2 LEU 13 1HD2 LEU 13 -6.448 5.160 1.177 95 2HD2 LEU 13 2HD2 LEU 13 -7.981 4.294 1.291 96 3HD2 LEU 13 3HD2 LEU 13 -7.500 5.410 2.569 97 H ILE 14 H ILE 14 -6.943 10.138 0.422 98 HA ILE 14 HA ILE 14 -4.587 10.950 -0.792 99 HB ILE 14 HB ILE 14 -6.702 12.573 0.632 100 1HG1 ILE 14 2HG1 ILE 14 -6.036 12.389 -2.316 101 2HG1 ILE 14 1HG1 ILE 14 -7.144 11.262 -1.531 102 1HG2 ILE 14 1HG2 ILE 14 -5.515 14.379 -0.990 103 2HG2 ILE 14 2HG2 ILE 14 -4.106 13.413 -0.553 104 3HG2 ILE 14 3HG2 ILE 14 -5.070 14.186 0.705 105 1HD1 ILE 14 1HD1 ILE 14 -7.972 13.801 -0.670 106 2HD1 ILE 14 2HD1 ILE 14 -8.778 12.777 -1.859 107 3HD1 ILE 14 3HD1 ILE 14 -7.618 13.995 -2.387 108 H GLU 15 H GLU 15 -5.498 11.555 2.615 109 HA GLU 15 HA GLU 15 -3.199 12.992 3.389 110 1HB GLU 15 2HB GLU 15 -5.403 11.859 4.693 111 2HB GLU 15 1HB GLU 15 -4.004 11.077 5.431 112 1HG GLU 15 2HG GLU 15 -3.019 13.496 5.533 113 2HG GLU 15 1HG GLU 15 -4.696 14.004 5.337 114 H ILE 16 H ILE 16 -3.721 9.451 3.503 115 HA ILE 16 HA ILE 16 -1.079 8.814 4.381 116 HB ILE 16 HB ILE 16 -3.028 7.183 2.722 117 1HG1 ILE 16 2HG1 ILE 16 -2.403 6.962 5.674 118 2HG1 ILE 16 1HG1 ILE 16 -3.690 8.004 5.068 119 1HG2 ILE 16 1HG2 ILE 16 -1.406 5.478 4.220 120 2HG2 ILE 16 2HG2 ILE 16 -0.285 6.688 3.597 121 3HG2 ILE 16 3HG2 ILE 16 -1.288 5.759 2.482 122 1HD1 ILE 16 1HD1 ILE 16 -4.858 6.026 5.463 123 2HD1 ILE 16 2HD1 ILE 16 -3.491 5.010 5.003 124 3HD1 ILE 16 3HD1 ILE 16 -4.431 5.839 3.762 125 H GLN 17 H GLN 17 -2.358 9.716 1.274 126 HA GLN 17 HA GLN 17 -0.150 8.660 -0.291 127 1HB GLN 17 2HB GLN 17 -2.125 10.870 -0.948 128 2HB GLN 17 1HB GLN 17 -1.065 10.061 -2.102 129 1HG GLN 17 2HG GLN 17 -2.908 8.421 -0.390 130 2HG GLN 17 1HG GLN 17 -3.544 9.232 -1.822 131 1HE2 GLN 17 1HE2 GLN 17 -2.964 8.389 -3.893 132 2HE2 GLN 17 2HE2 GLN 17 -2.007 7.000 -4.091 133 H LYS 18 H LYS 18 -0.929 11.809 1.166 134 HA LYS 18 HA LYS 18 1.313 13.223 0.079 135 1HB LYS 18 2HB LYS 18 -0.400 13.624 2.536 136 2HB LYS 18 1HB LYS 18 0.957 14.693 2.175 137 1HG LYS 18 2HG LYS 18 -0.243 15.787 0.617 138 2HG LYS 18 1HG LYS 18 -0.641 14.276 -0.201 139 1HD LYS 18 2HD LYS 18 -2.576 13.936 1.118 140 2HD LYS 18 1HD LYS 18 -2.060 15.114 2.327 141 1HE LYS 18 2HE LYS 18 -2.244 16.895 0.546 142 2HE LYS 18 1HE LYS 18 -2.975 15.682 -0.505 143 1HZ LYS 18 1HZ LYS 18 -4.900 16.140 0.458 144 2HZ LYS 18 2HZ LYS 18 -4.161 17.174 1.585 145 3HZ LYS 18 3HZ LYS 18 -4.298 15.513 1.914 146 H GLU 19 H GLU 19 0.922 11.141 2.900 147 HA GLU 19 HA GLU 19 3.517 11.765 4.040 148 1HB GLU 19 2HB GLU 19 1.537 9.518 4.449 149 2HB GLU 19 1HB GLU 19 3.091 9.551 5.281 150 1HG GLU 19 2HG GLU 19 2.559 11.522 6.458 151 2HG GLU 19 1HG GLU 19 1.256 11.940 5.344 152 H GLU 20 H GLU 20 2.401 8.649 2.667 153 HA GLU 20 HA GLU 20 4.806 7.389 2.275 154 1HB GLU 20 2HB GLU 20 2.460 6.620 1.543 155 2HB GLU 20 1HB GLU 20 2.775 7.483 0.038 156 1HG GLU 20 2HG GLU 20 4.088 5.819 -0.721 157 2HG GLU 20 1HG GLU 20 5.047 5.831 0.760 158 H THR 21 H THR 21 3.360 9.353 -0.356 159 HA THR 21 HA THR 21 5.543 9.523 -2.050 160 HB THR 21 HB THR 21 3.972 12.016 -1.425 161 HG1 THR 21 HG1 THR 21 3.049 9.777 -2.897 162 1HG2 THR 21 1HG2 THR 21 5.608 12.193 -3.196 163 2HG2 THR 21 2HG2 THR 21 4.008 12.142 -3.936 164 3HG2 THR 21 3HG2 THR 21 5.028 10.703 -3.941 165 H ARG 22 H ARG 22 4.852 12.146 0.288 166 HA ARG 22 HA ARG 22 7.199 13.543 0.233 167 1HB ARG 22 2HB ARG 22 5.778 14.396 1.838 168 2HB ARG 22 1HB ARG 22 5.353 12.804 2.459 169 1HG ARG 22 2HG ARG 22 7.489 12.620 3.605 170 2HG ARG 22 1HG ARG 22 8.062 14.104 2.853 171 1HD ARG 22 2HD ARG 22 7.091 15.361 4.438 172 2HD ARG 22 1HD ARG 22 5.533 14.585 4.174 173 HE ARG 22 HE ARG 22 7.166 14.181 6.438 174 1HH1 ARG 22 1HH2 ARG 22 5.654 12.268 3.993 175 2HH1 ARG 22 2HH2 ARG 22 5.633 10.830 4.955 176 1HH2 ARG 22 2HH1 ARG 22 7.141 12.321 7.694 177 2HH2 ARG 22 1HH1 ARG 22 6.472 10.860 7.048 178 H ASP 23 H ASP 23 6.727 10.446 1.933 179 HA ASP 23 HA ASP 23 9.353 10.274 3.042 180 1HB ASP 23 2HB ASP 23 7.044 8.676 3.005 181 2HB ASP 23 1HB ASP 23 8.295 7.681 2.260 182 H ILE 24 H ILE 24 8.027 9.011 -0.027 183 HA ILE 24 HA ILE 24 10.509 7.863 -0.916 184 HB ILE 24 HB ILE 24 8.141 8.861 -2.532 185 1HG1 ILE 24 2HG1 ILE 24 8.844 6.086 -1.517 186 2HG1 ILE 24 1HG1 ILE 24 7.591 7.125 -0.839 187 1HG2 ILE 24 1HG2 ILE 24 10.682 7.474 -3.221 188 2HG2 ILE 24 2HG2 ILE 24 9.680 8.541 -4.204 189 3HG2 ILE 24 3HG2 ILE 24 9.219 6.854 -3.985 190 1HD1 ILE 24 1HD1 ILE 24 6.173 6.205 -2.333 191 2HD1 ILE 24 2HD1 ILE 24 7.496 5.432 -3.208 192 3HD1 ILE 24 3HD1 ILE 24 7.047 7.097 -3.578 193 H ILE 25 H ILE 25 8.865 10.858 -2.017 194 HA ILE 25 HA ILE 25 10.784 11.957 -3.644 195 HB ILE 25 HB ILE 25 9.493 13.582 -1.442 196 1HG1 ILE 25 2HG1 ILE 25 7.688 12.304 -2.309 197 2HG1 ILE 25 1HG1 ILE 25 7.626 13.823 -3.203 198 1HG2 ILE 25 1HG2 ILE 25 9.522 14.656 -4.146 199 2HG2 ILE 25 2HG2 ILE 25 11.149 14.254 -3.596 200 3HG2 ILE 25 3HG2 ILE 25 10.150 15.364 -2.658 201 1HD1 ILE 25 1HD1 ILE 25 8.684 11.152 -4.134 202 2HD1 ILE 25 2HD1 ILE 25 9.102 12.654 -4.956 203 3HD1 ILE 25 3HD1 ILE 25 7.418 12.139 -4.865 204 H GLN 26 H GLN 26 10.817 12.115 -0.076 205 HA GLN 26 HA GLN 26 13.236 13.564 0.206 206 1HB GLN 26 2HB GLN 26 11.887 11.493 1.943 207 2HB GLN 26 1HB GLN 26 13.388 12.281 2.431 208 1HG GLN 26 2HG GLN 26 11.470 14.232 1.462 209 2HG GLN 26 1HG GLN 26 10.783 13.275 2.775 210 1HE2 GLN 26 1HE2 GLN 26 11.991 16.159 2.601 211 2HE2 GLN 26 2HE2 GLN 26 13.053 16.209 3.923 212 H ALA 27 H ALA 27 12.703 10.039 -0.002 213 HA ALA 27 HA ALA 27 15.438 9.285 0.279 214 1HB ALA 27 1HB ALA 27 13.002 7.967 -0.144 215 2HB ALA 27 2HB ALA 27 14.581 7.210 0.066 216 3HB ALA 27 3HB ALA 27 13.979 7.561 -1.555 217 H LEU 28 H LEU 28 13.509 10.034 -2.629 218 HA LEU 28 HA LEU 28 15.613 9.477 -4.500 219 1HB LEU 28 2HB LEU 28 13.250 11.365 -4.744 220 2HB LEU 28 1HB LEU 28 14.258 10.815 -6.085 221 HG LEU 28 HG LEU 28 12.525 9.089 -4.292 222 1HD1 LEU 28 1HD1 LEU 28 12.346 9.136 -7.270 223 2HD1 LEU 28 2HD1 LEU 28 11.707 10.531 -6.401 224 3HD1 LEU 28 3HD1 LEU 28 11.071 8.919 -6.073 225 1HD2 LEU 28 1HD2 LEU 28 14.722 8.452 -6.233 226 2HD2 LEU 28 2HD2 LEU 28 13.334 7.368 -6.143 227 3HD2 LEU 28 3HD2 LEU 28 14.315 7.664 -4.709 228 H LEU 29 H LEU 29 14.352 12.694 -3.518 229 HA LEU 29 HA LEU 29 16.423 14.239 -4.593 230 1HB LEU 29 2HB LEU 29 14.351 14.603 -2.587 231 2HB LEU 29 1HB LEU 29 15.823 15.470 -2.141 232 HG LEU 29 HG LEU 29 15.871 16.410 -4.490 233 1HD1 LEU 29 1HD1 LEU 29 13.580 14.608 -4.682 234 2HD1 LEU 29 2HD1 LEU 29 14.504 15.384 -5.968 235 3HD1 LEU 29 3HD1 LEU 29 13.178 16.247 -5.191 236 1HD2 LEU 29 1HD2 LEU 29 14.156 18.098 -4.028 237 2HD2 LEU 29 2HD2 LEU 29 14.983 17.673 -2.530 238 3HD2 LEU 29 3HD2 LEU 29 13.379 17.022 -2.865 239 H GLU 30 H GLU 30 16.263 13.230 -1.149 240 HA GLU 30 HA GLU 30 18.780 13.978 -0.305 241 1HB GLU 30 2HB GLU 30 17.052 12.738 1.061 242 2HB GLU 30 1HB GLU 30 17.605 11.249 0.294 243 1HG GLU 30 2HG GLU 30 19.695 13.009 1.483 244 2HG GLU 30 1HG GLU 30 18.652 12.135 2.605 245 H ASP 31 H ASP 31 18.033 10.910 -1.992 246 HA ASP 31 HA ASP 31 20.640 9.871 -2.130 247 1HB ASP 31 2HB ASP 31 18.432 8.824 -2.952 248 2HB ASP 31 1HB ASP 31 18.710 9.715 -4.449 249 H GLY 32 H GLY 32 19.056 12.200 -4.316 250 1HA GLY 32 2HA GLY 32 20.801 14.012 -4.989 251 2HA GLY 32 1HA GLY 32 21.698 12.636 -5.630 252 H SER 33 H SER 33 18.408 12.054 -5.962 253 HA SER 33 HA SER 33 18.264 11.809 -8.682 254 1HB SER 33 2HB SER 33 15.890 12.165 -8.548 255 2HB SER 33 1HB SER 33 16.382 11.440 -7.019 256 HG SER 33 HG SER 33 16.220 14.240 -7.429 257 H ASP 34 H ASP 34 17.552 13.244 -10.432 258 HA ASP 34 HA ASP 34 18.215 16.116 -9.904 259 1HB ASP 34 2HB ASP 34 19.149 14.226 -11.993 260 2HB ASP 34 1HB ASP 34 18.733 15.845 -12.555 261 HA PRO 35 HA PRO 35 13.826 15.994 -11.276 262 1HB PRO 35 2HB PRO 35 13.876 18.704 -10.097 263 2HB PRO 35 1HB PRO 35 12.796 17.343 -9.748 264 1HG PRO 35 2HG PRO 35 14.699 18.153 -8.035 265 2HG PRO 35 1HG PRO 35 14.194 16.460 -8.175 266 1HD PRO 35 2HD PRO 35 16.673 17.780 -9.212 267 2HD PRO 35 1HD PRO 35 16.445 16.127 -8.595 268 H ASP 36 H ASP 36 16.516 17.578 -12.365 269 HA ASP 36 HA ASP 36 15.139 19.616 -13.986 270 1HB ASP 36 2HB ASP 36 17.294 20.304 -13.311 271 2HB ASP 36 1HB ASP 36 18.007 18.734 -13.687 272 H ALA 37 H ALA 37 16.068 16.303 -14.283 273 HA ALA 37 HA ALA 37 15.905 16.404 -17.246 274 1HB ALA 37 1HB ALA 37 17.605 15.001 -15.779 275 2HB ALA 37 2HB ALA 37 16.939 14.322 -17.264 276 3HB ALA 37 3HB ALA 37 16.263 13.859 -15.701 277 H LEU 38 H LEU 38 13.565 16.795 -15.356 278 HA LEU 38 HA LEU 38 11.316 16.125 -15.253 279 1HB LEU 38 2HB LEU 38 12.260 15.237 -17.950 280 2HB LEU 38 1HB LEU 38 10.688 14.667 -17.390 281 HG LEU 38 HG LEU 38 11.305 17.569 -17.061 282 1HD1 LEU 38 1HD1 LEU 38 10.647 16.218 -19.694 283 2HD1 LEU 38 2HD1 LEU 38 12.038 17.241 -19.336 284 3HD1 LEU 38 3HD1 LEU 38 10.422 17.943 -19.401 285 1HD2 LEU 38 1HD2 LEU 38 8.769 16.374 -18.130 286 2HD2 LEU 38 2HD2 LEU 38 8.986 17.776 -17.083 287 3HD2 LEU 38 3HD2 LEU 38 9.160 16.150 -16.425 288 H TYR 39 H TYR 39 10.091 14.368 -14.466 289 HA TYR 39 HA TYR 39 11.616 11.809 -14.183 290 1HB TYR 39 2HB TYR 39 10.592 13.520 -12.182 291 2HB TYR 39 1HB TYR 39 9.522 12.120 -12.211 292 HD1 TYR 39 HD1 TYR 39 10.110 10.537 -10.615 293 HD2 TYR 39 HD2 TYR 39 13.212 12.627 -12.730 294 HE1 TYR 39 HE1 TYR 39 11.824 9.199 -9.424 295 HE2 TYR 39 HE2 TYR 39 14.926 11.288 -11.537 296 HH TYR 39 HH TYR 39 14.418 9.659 -8.813 297 H GLU 40 H GLU 40 10.091 9.892 -13.830 298 HA GLU 40 HA GLU 40 7.628 10.248 -15.493 299 1HB GLU 40 2HB GLU 40 9.590 8.936 -16.529 300 2HB GLU 40 1HB GLU 40 9.224 7.687 -15.338 301 1HG GLU 40 2HG GLU 40 7.994 7.101 -17.304 302 2HG GLU 40 1HG GLU 40 6.817 7.773 -16.176 303 H ILE 41 H ILE 41 5.758 9.448 -14.608 304 HA ILE 41 HA ILE 41 6.014 7.744 -12.165 305 HB ILE 41 HB ILE 41 4.097 10.056 -12.604 306 1HG1 ILE 41 2HG1 ILE 41 5.402 10.664 -10.346 307 2HG1 ILE 41 1HG1 ILE 41 6.658 9.686 -11.106 308 1HG2 ILE 41 1HG2 ILE 41 4.445 8.263 -10.183 309 2HG2 ILE 41 2HG2 ILE 41 3.144 8.090 -11.361 310 3HG2 ILE 41 3HG2 ILE 41 3.258 9.552 -10.382 311 1HD1 ILE 41 1HD1 ILE 41 6.660 11.093 -13.072 312 2HD1 ILE 41 2HD1 ILE 41 6.797 12.142 -11.661 313 3HD1 ILE 41 3HD1 ILE 41 5.250 11.982 -12.493 314 H GLU 42 H GLU 42 4.261 6.240 -11.864 315 HA GLU 42 HA GLU 42 2.425 5.978 -14.205 316 1HB GLU 42 2HB GLU 42 2.743 3.421 -13.778 317 2HB GLU 42 1HB GLU 42 3.985 4.289 -14.680 318 1HG GLU 42 2HG GLU 42 4.327 4.310 -11.742 319 2HG GLU 42 1HG GLU 42 4.510 2.731 -12.507 320 H HIS 43 H HIS 43 0.383 5.025 -13.708 321 HA HIS 43 HA HIS 43 -0.177 4.726 -10.782 322 1HB HIS 43 2HB HIS 43 -1.998 5.935 -12.889 323 2HB HIS 43 1HB HIS 43 -2.387 5.732 -11.180 324 HD2 HIS 43 HD2 HIS 43 0.686 7.514 -13.027 325 HE1 HIS 43 HE1 HIS 43 -0.628 9.929 -9.820 326 HE2 HIS 43 HE2 HIS 43 1.051 9.737 -11.712 327 H HIS 44 H HIS 44 -1.851 3.163 -10.276 328 HA HIS 44 HA HIS 44 -2.351 1.239 -12.513 329 1HB HIS 44 2HB HIS 44 -1.440 0.859 -9.720 330 2HB HIS 44 1HB HIS 44 -2.664 -0.283 -10.280 331 HD2 HIS 44 HD2 HIS 44 -1.827 -1.365 -13.027 332 HE1 HIS 44 HE1 HIS 44 2.236 -1.235 -11.881 333 HE2 HIS 44 HE2 HIS 44 0.593 -2.171 -13.572 334 H LEU 45 H LEU 45 -4.449 1.495 -13.121 335 HA LEU 45 HA LEU 45 -6.497 1.681 -10.946 336 1HB LEU 45 2HB LEU 45 -6.699 2.903 -13.715 337 2HB LEU 45 1HB LEU 45 -7.857 3.075 -12.399 338 HG LEU 45 HG LEU 45 -5.808 4.006 -11.059 339 1HD1 LEU 45 1HD1 LEU 45 -4.393 5.359 -12.808 340 2HD1 LEU 45 2HD1 LEU 45 -4.892 4.089 -13.925 341 3HD1 LEU 45 3HD1 LEU 45 -3.974 3.679 -12.477 342 1HD2 LEU 45 1HD2 LEU 45 -6.365 6.266 -11.820 343 2HD2 LEU 45 2HD2 LEU 45 -7.830 5.288 -11.756 344 3HD2 LEU 45 3HD2 LEU 45 -7.057 5.618 -13.307 345 H PHE 46 H PHE 46 -8.024 0.074 -11.023 346 HA PHE 46 HA PHE 46 -8.155 -1.545 -13.536 347 1HB PHE 46 2HB PHE 46 -9.138 -3.128 -11.436 348 2HB PHE 46 1HB PHE 46 -7.582 -3.303 -12.247 349 HD1 PHE 46 HD1 PHE 46 -9.038 -2.990 -9.118 350 HD2 PHE 46 HD2 PHE 46 -5.817 -1.361 -11.446 351 HE1 PHE 46 HE1 PHE 46 -7.871 -2.322 -7.034 352 HE2 PHE 46 HE2 PHE 46 -4.649 -0.694 -9.363 353 HZ PHE 46 HZ PHE 46 -5.675 -1.175 -7.157 354 H ALA 47 H ALA 47 -10.286 -2.621 -13.877 355 HA ALA 47 HA ALA 47 -12.565 -1.254 -12.548 356 1HB ALA 47 1HB ALA 47 -13.386 -0.274 -14.445 357 2HB ALA 47 2HB ALA 47 -12.818 -1.581 -15.484 358 3HB ALA 47 3HB ALA 47 -11.698 -0.326 -14.953 359 H GLU 48 H GLU 48 -14.690 -2.347 -13.544 360 HA GLU 48 HA GLU 48 -14.135 -5.281 -13.756 361 1HB GLU 48 2HB GLU 48 -16.724 -5.036 -12.763 362 2HB GLU 48 1HB GLU 48 -15.294 -5.453 -11.821 363 1HG GLU 48 2HG GLU 48 -16.534 -3.530 -10.842 364 2HG GLU 48 1HG GLU 48 -14.895 -3.091 -11.321 365 H ASP 49 H ASP 49 -15.332 -2.602 -15.344 366 HA ASP 49 HA ASP 49 -17.053 -4.333 -17.076 367 1HB ASP 49 2HB ASP 49 -17.980 -2.229 -15.592 368 2HB ASP 49 1HB ASP 49 -17.591 -1.429 -17.115 369 H PHE 50 H PHE 50 -15.774 -4.687 -18.852 370 HA PHE 50 HA PHE 50 -13.610 -3.356 -19.841 371 1HB PHE 50 2HB PHE 50 -14.617 -5.330 -20.950 372 2HB PHE 50 1HB PHE 50 -15.923 -4.312 -21.558 373 HD1 PHE 50 HD1 PHE 50 -15.651 -3.022 -23.527 374 HD2 PHE 50 HD2 PHE 50 -12.219 -4.762 -21.616 375 HE1 PHE 50 HE1 PHE 50 -14.242 -2.368 -25.461 376 HE2 PHE 50 HE2 PHE 50 -10.811 -4.109 -23.550 377 HZ PHE 50 HZ PHE 50 -11.822 -2.912 -25.473 378 H ASP 51 H ASP 51 -16.991 -2.385 -20.440 379 HA ASP 51 HA ASP 51 -16.387 -0.104 -22.045 380 1HB ASP 51 2HB ASP 51 -18.686 -1.294 -21.408 381 2HB ASP 51 1HB ASP 51 -18.722 -0.033 -20.176 382 H LYS 52 H LYS 52 -17.540 0.011 -18.656 383 HA LYS 52 HA LYS 52 -16.900 2.607 -18.016 384 1HB LYS 52 2HB LYS 52 -17.819 0.762 -16.476 385 2HB LYS 52 1HB LYS 52 -16.133 0.354 -16.153 386 1HG LYS 52 2HG LYS 52 -16.476 1.890 -14.462 387 2HG LYS 52 1HG LYS 52 -15.956 2.984 -15.744 388 1HD LYS 52 2HD LYS 52 -17.963 3.913 -14.779 389 2HD LYS 52 1HD LYS 52 -18.391 3.271 -16.365 390 1HE LYS 52 2HE LYS 52 -19.623 1.537 -15.487 391 2HE LYS 52 1HE LYS 52 -18.621 1.417 -14.040 392 1HZ LYS 52 1HZ LYS 52 -19.947 3.930 -14.183 393 2HZ LYS 52 2HZ LYS 52 -19.977 2.765 -12.946 394 3HZ LYS 52 3HZ LYS 52 -21.063 2.654 -14.248 395 H LEU 53 H LEU 53 -14.645 -0.054 -18.475 396 HA LEU 53 HA LEU 53 -12.318 1.275 -17.431 397 1HB LEU 53 2HB LEU 53 -12.607 -1.217 -17.970 398 2HB LEU 53 1HB LEU 53 -12.315 -0.778 -19.652 399 HG LEU 53 HG LEU 53 -10.420 0.055 -17.452 400 1HD1 LEU 53 1HD1 LEU 53 -10.898 -2.556 -17.836 401 2HD1 LEU 53 2HD1 LEU 53 -9.271 -1.943 -17.543 402 3HD1 LEU 53 3HD1 LEU 53 -9.799 -2.292 -19.190 403 1HD2 LEU 53 1HD2 LEU 53 -9.945 1.259 -19.408 404 2HD2 LEU 53 2HD2 LEU 53 -10.395 -0.083 -20.459 405 3HD2 LEU 53 3HD2 LEU 53 -8.878 -0.136 -19.562 406 H GLU 54 H GLU 54 -13.509 0.868 -20.786 407 HA GLU 54 HA GLU 54 -11.493 2.467 -22.009 408 1HB GLU 54 2HB GLU 54 -14.224 1.530 -22.769 409 2HB GLU 54 1HB GLU 54 -13.534 2.857 -23.702 410 1HG GLU 54 2HG GLU 54 -11.429 1.411 -23.921 411 2HG GLU 54 1HG GLU 54 -12.412 0.077 -23.316 412 H LYS 55 H LYS 55 -14.668 3.340 -20.655 413 HA LYS 55 HA LYS 55 -14.756 6.038 -21.473 414 1HB LYS 55 2HB LYS 55 -15.717 4.746 -18.906 415 2HB LYS 55 1HB LYS 55 -16.114 6.399 -19.378 416 1HG LYS 55 2HG LYS 55 -17.003 5.438 -21.560 417 2HG LYS 55 1HG LYS 55 -16.841 3.842 -20.825 418 1HD LYS 55 2HD LYS 55 -18.273 4.652 -18.920 419 2HD LYS 55 1HD LYS 55 -18.549 6.139 -19.830 420 1HE LYS 55 2HE LYS 55 -20.352 4.396 -20.125 421 2HE LYS 55 1HE LYS 55 -19.602 4.924 -21.632 422 1HZ LYS 55 1HZ LYS 55 -18.142 2.986 -21.521 423 2HZ LYS 55 2HZ LYS 55 -19.778 2.532 -21.573 424 3HZ LYS 55 3HZ LYS 55 -18.922 2.469 -20.107 425 H ALA 56 H ALA 56 -13.666 4.927 -18.241 426 HA ALA 56 HA ALA 56 -12.470 7.383 -17.490 427 1HB ALA 56 1HB ALA 56 -12.786 5.790 -15.765 428 2HB ALA 56 2HB ALA 56 -11.037 5.857 -15.976 429 3HB ALA 56 3HB ALA 56 -11.959 4.523 -16.670 430 H ALA 57 H ALA 57 -11.014 4.536 -19.079 431 HA ALA 57 HA ALA 57 -8.348 5.400 -19.190 432 1HB ALA 57 1HB ALA 57 -8.668 4.215 -21.645 433 2HB ALA 57 2HB ALA 57 -10.049 3.570 -20.758 434 3HB ALA 57 3HB ALA 57 -8.414 3.334 -20.139 435 H VAL 58 H VAL 58 -10.682 5.803 -21.887 436 HA VAL 58 HA VAL 58 -9.225 7.536 -23.482 437 HB VAL 58 HB VAL 58 -12.183 7.795 -22.855 438 1HG1 VAL 58 1HG1 VAL 58 -11.259 9.729 -24.072 439 2HG1 VAL 58 2HG1 VAL 58 -12.299 8.771 -25.126 440 3HG1 VAL 58 3HG1 VAL 58 -10.545 8.643 -25.266 441 1HG2 VAL 58 1HG2 VAL 58 -11.669 6.475 -25.326 442 2HG2 VAL 58 2HG2 VAL 58 -12.410 5.798 -23.876 443 3HG2 VAL 58 3HG2 VAL 58 -10.665 5.694 -24.105 444 H GLU 59 H GLU 59 -11.189 8.435 -20.640 445 HA GLU 59 HA GLU 59 -10.809 11.242 -20.801 446 1HB GLU 59 2HB GLU 59 -11.765 9.340 -18.842 447 2HB GLU 59 1HB GLU 59 -10.763 10.563 -18.058 448 1HG GLU 59 2HG GLU 59 -12.959 11.269 -20.015 449 2HG GLU 59 1HG GLU 59 -13.237 11.145 -18.278 450 H ALA 60 H ALA 60 -8.808 8.741 -19.237 451 HA ALA 60 HA ALA 60 -6.862 10.563 -18.176 452 1HB ALA 60 1HB ALA 60 -5.694 8.015 -18.891 453 2HB ALA 60 2HB ALA 60 -7.285 7.771 -18.172 454 3HB ALA 60 3HB ALA 60 -6.045 8.660 -17.288 455 H PHE 61 H PHE 61 -6.976 8.690 -21.216 456 HA PHE 61 HA PHE 61 -4.438 9.630 -22.187 457 1HB PHE 61 2HB PHE 61 -5.359 7.673 -23.215 458 2HB PHE 61 1HB PHE 61 -6.872 8.500 -23.587 459 HD1 PHE 61 HD1 PHE 61 -6.802 10.496 -25.194 460 HD2 PHE 61 HD2 PHE 61 -3.548 7.729 -24.734 461 HE1 PHE 61 HE1 PHE 61 -5.865 11.235 -27.368 462 HE2 PHE 61 HE2 PHE 61 -2.613 8.467 -26.909 463 HZ PHE 61 HZ PHE 61 -3.771 10.220 -28.226 464 H LYS 62 H LYS 62 -7.556 11.097 -21.980 465 HA LYS 62 HA LYS 62 -7.129 13.015 -24.137 466 1HB LYS 62 2HB LYS 62 -9.406 12.374 -23.411 467 2HB LYS 62 1HB LYS 62 -9.090 13.072 -21.821 468 1HG LYS 62 2HG LYS 62 -9.296 15.220 -22.576 469 2HG LYS 62 1HG LYS 62 -8.557 14.850 -24.135 470 1HD LYS 62 2HD LYS 62 -10.622 13.764 -24.886 471 2HD LYS 62 1HD LYS 62 -11.367 14.054 -23.314 472 1HE LYS 62 2HE LYS 62 -10.230 16.387 -24.806 473 2HE LYS 62 1HE LYS 62 -11.780 15.728 -25.328 474 1HZ LYS 62 1HZ LYS 62 -11.103 16.661 -22.590 475 2HZ LYS 62 2HZ LYS 62 -12.583 15.962 -23.047 476 3HZ LYS 62 3HZ LYS 62 -12.110 17.457 -23.699 477 H MET 63 H MET 63 -6.731 12.992 -20.612 478 HA MET 63 HA MET 63 -6.065 15.788 -20.391 479 1HB MET 63 2HB MET 63 -5.900 13.384 -18.649 480 2HB MET 63 1HB MET 63 -4.803 14.708 -18.258 481 1HG MET 63 2HG MET 63 -6.697 16.275 -18.184 482 2HG MET 63 1HG MET 63 -7.804 14.969 -18.609 483 1HE MET 63 1HE MET 63 -8.103 13.021 -17.601 484 2HE MET 63 2HE MET 63 -9.140 13.656 -16.325 485 3HE MET 63 3HE MET 63 -7.833 12.547 -15.917 486 H GLY 64 H GLY 64 -4.029 12.842 -20.511 487 1HA GLY 64 2HA GLY 64 -2.065 13.654 -22.234 488 2HA GLY 64 1HA GLY 64 -1.594 14.458 -20.735 489 H PHE 65 H PHE 65 -2.961 11.998 -19.364 490 HA PHE 65 HA PHE 65 -0.532 10.570 -18.839 491 1HB PHE 65 2HB PHE 65 -3.377 9.619 -18.398 492 2HB PHE 65 1HB PHE 65 -1.932 9.016 -17.589 493 HD1 PHE 65 HD1 PHE 65 -0.915 10.218 -15.773 494 HD2 PHE 65 HD2 PHE 65 -4.170 11.946 -17.978 495 HE1 PHE 65 HE1 PHE 65 -1.135 11.992 -14.056 496 HE2 PHE 65 HE2 PHE 65 -4.390 13.722 -16.262 497 HZ PHE 65 HZ PHE 65 -2.873 13.746 -14.300 498 H GLU 66 H GLU 66 0.381 8.869 -19.911 499 HA GLU 66 HA GLU 66 -0.926 7.915 -22.374 500 1HB GLU 66 2HB GLU 66 1.604 8.451 -22.045 501 2HB GLU 66 1HB GLU 66 1.678 6.865 -21.275 502 1HG GLU 66 2HG GLU 66 0.444 6.016 -23.397 503 2HG GLU 66 1HG GLU 66 0.957 7.539 -24.123 504 H VAL 67 H VAL 67 -2.567 6.480 -21.875 505 HA VAL 67 HA VAL 67 -2.527 4.650 -19.680 506 HB VAL 67 HB VAL 67 -4.603 5.295 -20.853 507 1HG1 VAL 67 1HG1 VAL 67 -3.685 3.491 -23.099 508 2HG1 VAL 67 2HG1 VAL 67 -3.459 5.239 -23.141 509 3HG1 VAL 67 3HG1 VAL 67 -5.086 4.562 -23.073 510 1HG2 VAL 67 1HG2 VAL 67 -5.464 3.358 -20.086 511 2HG2 VAL 67 2HG2 VAL 67 -3.835 2.686 -20.026 512 3HG2 VAL 67 3HG2 VAL 67 -4.816 2.490 -21.478 513 H LEU 68 H LEU 68 -1.808 2.541 -19.526 514 HA LEU 68 HA LEU 68 -0.276 1.503 -21.874 515 1HB LEU 68 2HB LEU 68 0.277 1.599 -18.978 516 2HB LEU 68 1HB LEU 68 0.593 0.032 -19.723 517 HG LEU 68 HG LEU 68 1.940 1.189 -21.482 518 1HD1 LEU 68 1HD1 LEU 68 0.812 3.399 -21.257 519 2HD1 LEU 68 2HD1 LEU 68 2.566 3.531 -21.137 520 3HD1 LEU 68 3HD1 LEU 68 1.575 3.603 -19.680 521 1HD2 LEU 68 1HD2 LEU 68 2.846 1.828 -18.657 522 2HD2 LEU 68 2HD2 LEU 68 3.880 1.579 -20.065 523 3HD2 LEU 68 3HD2 LEU 68 2.961 0.230 -19.395 524 H GLU 69 H GLU 69 -0.778 -0.554 -22.616 525 HA GLU 69 HA GLU 69 -3.277 -1.668 -22.367 526 1HB GLU 69 2HB GLU 69 -0.627 -3.090 -22.717 527 2HB GLU 69 1HB GLU 69 -2.183 -3.906 -22.881 528 1HG GLU 69 2HG GLU 69 -2.133 -1.418 -24.388 529 2HG GLU 69 1HG GLU 69 -0.828 -2.496 -24.886 530 H ALA 70 H ALA 70 -4.292 -3.193 -21.022 531 HA ALA 70 HA ALA 70 -3.155 -3.349 -18.288 532 1HB ALA 70 1HB ALA 70 -5.892 -4.139 -19.337 533 2HB ALA 70 2HB ALA 70 -5.503 -2.606 -18.557 534 3HB ALA 70 3HB ALA 70 -5.409 -4.110 -17.641 535 H GLU 71 H GLU 71 -3.894 -5.606 -17.207 536 HA GLU 71 HA GLU 71 -3.394 -7.855 -19.075 537 1HB GLU 71 2HB GLU 71 -1.161 -7.159 -18.242 538 2HB GLU 71 1HB GLU 71 -1.729 -7.365 -16.585 539 1HG GLU 71 2HG GLU 71 -0.967 -9.493 -16.782 540 2HG GLU 71 1HG GLU 71 -2.422 -9.768 -17.740 541 H GLU 72 H GLU 72 -5.247 -8.998 -18.662 542 HA GLU 72 HA GLU 72 -6.922 -9.018 -16.501 543 1HB GLU 72 2HB GLU 72 -6.380 -11.782 -17.243 544 2HB GLU 72 1HB GLU 72 -7.831 -10.818 -17.518 545 1HG GLU 72 2HG GLU 72 -6.983 -11.392 -19.685 546 2HG GLU 72 1HG GLU 72 -6.581 -9.695 -19.428 547 H THR 73 H THR 73 -6.425 -9.079 -14.367 548 HA THR 73 HA THR 73 -4.497 -11.165 -13.450 549 HB THR 73 HB THR 73 -3.211 -9.161 -13.329 550 HG1 THR 73 HG1 THR 73 -2.786 -9.827 -11.393 551 1HG2 THR 73 1HG2 THR 73 -5.509 -7.789 -11.923 552 2HG2 THR 73 2HG2 THR 73 -5.262 -7.687 -13.666 553 3HG2 THR 73 3HG2 THR 73 -4.040 -7.054 -12.564 554 H GLU 74 H GLU 74 -4.743 -10.474 -10.688 555 HA GLU 74 HA GLU 74 -7.644 -10.598 -10.113 556 1HB GLU 74 2HB GLU 74 -7.601 -12.695 -9.045 557 2HB GLU 74 1HB GLU 74 -6.617 -12.965 -10.485 558 1HG GLU 74 2HG GLU 74 -5.654 -12.446 -7.662 559 2HG GLU 74 1HG GLU 74 -5.384 -13.886 -8.645 560 H ASP 75 H ASP 75 -8.030 -10.442 -7.725 561 HA ASP 75 HA ASP 75 -5.721 -9.238 -6.268 562 1HB ASP 75 2HB ASP 75 -8.293 -7.989 -7.014 563 2HB ASP 75 1HB ASP 75 -7.842 -7.791 -5.320 564 H GLU 76 H GLU 76 -7.106 -11.890 -6.170 565 HA GLU 76 HA GLU 76 -7.675 -13.392 -4.453 566 1HB GLU 76 2HB GLU 76 -6.195 -11.411 -3.179 567 2HB GLU 76 1HB GLU 76 -7.689 -11.477 -2.243 568 1HG GLU 76 2HG GLU 76 -7.362 -14.056 -2.322 569 2HG GLU 76 1HG GLU 76 -5.697 -13.676 -2.762 570 H ASP 77 H ASP 77 -9.408 -10.788 -5.445 571 HA ASP 77 HA ASP 77 -11.868 -11.839 -4.199 572 1HB ASP 77 2HB ASP 77 -12.604 -9.638 -3.415 573 2HB ASP 77 1HB ASP 77 -11.074 -10.060 -2.645 574 H GLY 78 H GLY 78 -10.178 -10.391 -6.759 575 1HA GLY 78 2HA GLY 78 -12.687 -9.585 -8.145 576 2HA GLY 78 1HA GLY 78 -11.055 -9.155 -8.663 577 H ASN 79 H ASN 79 -10.179 -12.000 -8.123 578 HA ASN 79 HA ASN 79 -9.926 -13.968 -9.371 579 1HB ASN 79 2HB ASN 79 -12.329 -14.240 -8.730 580 2HB ASN 79 1HB ASN 79 -12.784 -13.413 -10.220 581 1HD2 ASN 79 1HD2 ASN 79 -13.707 -16.001 -9.983 582 2HD2 ASN 79 2HD2 ASN 79 -12.825 -17.049 -10.986 583 H LYS 80 H LYS 80 -12.041 -11.913 -11.419 584 HA LYS 80 HA LYS 80 -9.862 -11.928 -13.459 585 1HB LYS 80 2HB LYS 80 -11.960 -13.558 -13.776 586 2HB LYS 80 1HB LYS 80 -12.692 -12.078 -14.398 587 1HG LYS 80 2HG LYS 80 -10.343 -11.930 -15.682 588 2HG LYS 80 1HG LYS 80 -10.433 -13.681 -15.497 589 1HD LYS 80 2HD LYS 80 -12.961 -13.191 -16.312 590 2HD LYS 80 1HD LYS 80 -12.131 -11.859 -17.119 591 1HE LYS 80 2HE LYS 80 -12.125 -13.750 -18.626 592 2HE LYS 80 1HE LYS 80 -10.481 -13.537 -18.022 593 1HZ LYS 80 1HZ LYS 80 -10.645 -15.693 -17.509 594 2HZ LYS 80 2HZ LYS 80 -12.342 -15.699 -17.583 595 3HZ LYS 80 3HZ LYS 80 -11.552 -15.166 -16.177 596 H LEU 81 H LEU 81 -9.312 -9.783 -13.450 597 HA LEU 81 HA LEU 81 -11.469 -7.842 -14.091 598 1HB LEU 81 2HB LEU 81 -10.593 -6.232 -12.450 599 2HB LEU 81 1HB LEU 81 -11.102 -7.714 -11.642 600 HG LEU 81 HG LEU 81 -8.523 -8.345 -12.187 601 1HD1 LEU 81 1HD1 LEU 81 -7.881 -6.246 -13.145 602 2HD1 LEU 81 2HD1 LEU 81 -7.213 -6.260 -11.514 603 3HD1 LEU 81 3HD1 LEU 81 -8.676 -5.339 -11.860 604 1HD2 LEU 81 1HD2 LEU 81 -9.146 -8.670 -9.988 605 2HD2 LEU 81 2HD2 LEU 81 -9.921 -7.091 -9.865 606 3HD2 LEU 81 3HD2 LEU 81 -8.164 -7.219 -9.782 607 H LEU 82 H LEU 82 -10.353 -5.647 -14.685 608 HA LEU 82 HA LEU 82 -7.915 -6.304 -16.288 609 1HB LEU 82 2HB LEU 82 -10.162 -4.336 -16.784 610 2HB LEU 82 1HB LEU 82 -8.661 -4.336 -17.711 611 HG LEU 82 HG LEU 82 -9.112 -6.807 -18.185 612 1HD1 LEU 82 1HD1 LEU 82 -11.818 -7.004 -18.090 613 2HD1 LEU 82 2HD1 LEU 82 -11.531 -6.041 -16.641 614 3HD1 LEU 82 3HD1 LEU 82 -10.760 -7.617 -16.820 615 1HD2 LEU 82 1HD2 LEU 82 -9.515 -4.908 -19.791 616 2HD2 LEU 82 2HD2 LEU 82 -11.182 -4.847 -19.222 617 3HD2 LEU 82 3HD2 LEU 82 -10.583 -6.288 -20.043 618 H CYS 83 H CYS 83 -6.106 -5.034 -15.991 619 HA CYS 83 HA CYS 83 -6.400 -2.660 -14.196 620 1HB CYS 83 2HB CYS 83 -4.261 -3.239 -13.156 621 2HB CYS 83 1HB CYS 83 -5.381 -4.593 -13.002 622 HG CYS 83 HG CYS 83 -3.740 -4.926 -15.511 623 H PHE 84 H PHE 84 -6.165 -1.028 -15.708 624 HA PHE 84 HA PHE 84 -3.990 -1.257 -17.712 625 1HB PHE 84 2HB PHE 84 -4.977 0.901 -18.581 626 2HB PHE 84 1HB PHE 84 -6.086 -0.468 -18.610 627 HD1 PHE 84 HD1 PHE 84 -7.628 -0.775 -16.529 628 HD2 PHE 84 HD2 PHE 84 -5.596 2.886 -17.493 629 HE1 PHE 84 HE1 PHE 84 -9.225 0.485 -15.111 630 HE2 PHE 84 HE2 PHE 84 -7.194 4.145 -16.074 631 HZ PHE 84 HZ PHE 84 -9.008 2.945 -14.884 632 H ASP 85 H ASP 85 -2.288 0.300 -17.814 633 HA ASP 85 HA ASP 85 -1.908 1.794 -15.247 634 1HB ASP 85 2HB ASP 85 -0.172 0.199 -15.378 635 2HB ASP 85 1HB ASP 85 0.040 0.444 -17.111 636 H ALA 86 H ALA 86 -1.158 3.943 -15.353 637 HA ALA 86 HA ALA 86 -1.106 5.158 -18.086 638 1HB ALA 86 1HB ALA 86 -1.947 7.031 -16.038 639 2HB ALA 86 2HB ALA 86 -3.012 5.626 -16.064 640 3HB ALA 86 3HB ALA 86 -2.771 6.576 -17.529 641 H THR 87 H THR 87 0.507 6.725 -18.402 642 HA THR 87 HA THR 87 2.383 7.087 -16.099 643 HB THR 87 HB THR 87 4.013 7.564 -18.140 644 HG1 THR 87 HG1 THR 87 3.129 5.705 -19.639 645 1HG2 THR 87 1HG2 THR 87 4.068 4.831 -18.223 646 2HG2 THR 87 2HG2 THR 87 3.184 5.116 -16.722 647 3HG2 THR 87 3HG2 THR 87 4.794 5.801 -16.942 648 H MET 88 H MET 88 3.689 9.151 -16.280 649 HA MET 88 HA MET 88 2.665 11.335 -17.886 650 1HB MET 88 2HB MET 88 0.834 11.550 -16.454 651 2HB MET 88 1HB MET 88 1.744 11.000 -15.045 652 1HG MET 88 2HG MET 88 2.959 13.079 -14.925 653 2HG MET 88 1HG MET 88 2.302 13.612 -16.472 654 1HE MET 88 1HE MET 88 -0.966 15.052 -15.909 655 2HE MET 88 2HE MET 88 -0.686 13.490 -16.674 656 3HE MET 88 3HE MET 88 0.486 14.789 -16.882 657 H GLN 89 H GLN 89 4.255 12.893 -18.000 658 HA GLN 89 HA GLN 89 6.644 12.479 -16.299 659 1HB GLN 89 2HB GLN 89 7.531 14.344 -17.903 660 2HB GLN 89 1HB GLN 89 7.288 12.718 -18.540 661 1HG GLN 89 2HG GLN 89 4.855 14.335 -18.664 662 2HG GLN 89 1HG GLN 89 6.185 15.046 -19.580 663 1HE2 GLN 89 1HE2 GLN 89 6.014 11.552 -19.100 664 2HE2 GLN 89 2HE2 GLN 89 5.627 11.169 -20.707 665 H SER 90 H SER 90 7.502 14.112 -14.965 666 HA SER 90 HA SER 90 6.123 16.703 -14.765 667 1HB SER 90 2HB SER 90 5.511 16.442 -12.421 668 2HB SER 90 1HB SER 90 4.758 15.149 -13.352 669 HG SER 90 HG SER 90 6.151 13.724 -12.523 670 H ALA 91 H ALA 91 7.187 17.817 -12.626 671 HA ALA 91 HA ALA 91 10.116 17.492 -13.044 672 1HB ALA 91 1HB ALA 91 9.030 19.706 -11.372 673 2HB ALA 91 2HB ALA 91 8.657 19.752 -13.095 674 3HB ALA 91 3HB ALA 91 10.336 19.729 -12.556 675 H LEU 92 H LEU 92 8.907 15.491 -11.488 676 HA LEU 92 HA LEU 92 8.818 14.600 -9.286 677 1HB LEU 92 2HB LEU 92 11.388 14.965 -10.242 678 2HB LEU 92 1HB LEU 92 11.460 15.704 -8.642 679 HG LEU 92 HG LEU 92 10.289 12.958 -9.143 680 1HD1 LEU 92 1HD1 LEU 92 12.601 12.780 -9.745 681 2HD1 LEU 92 2HD1 LEU 92 12.477 12.181 -8.090 682 3HD1 LEU 92 3HD1 LEU 92 13.098 13.804 -8.398 683 1HD2 LEU 92 1HD2 LEU 92 10.912 14.662 -6.750 684 2HD2 LEU 92 2HD2 LEU 92 11.008 12.907 -6.597 685 3HD2 LEU 92 3HD2 LEU 92 9.489 13.669 -7.072 686 H ASP 93 H ASP 93 7.274 15.877 -8.187 687 HA ASP 93 HA ASP 93 8.374 17.615 -6.110 688 1HB ASP 93 2HB ASP 93 7.225 18.741 -8.546 689 2HB ASP 93 1HB ASP 93 6.353 19.262 -7.104 690 H ALA 94 H ALA 94 7.322 16.682 -4.416 691 HA ALA 94 HA ALA 94 5.063 15.141 -4.324 692 1HB ALA 94 1HB ALA 94 6.594 16.413 -2.418 693 2HB ALA 94 2HB ALA 94 5.179 15.418 -2.073 694 3HB ALA 94 3HB ALA 94 5.017 17.170 -2.194 695 H LYS 95 H LYS 95 4.794 18.629 -3.563 696 HA LYS 95 HA LYS 95 2.115 19.040 -3.629 697 1HB LYS 95 2HB LYS 95 3.695 20.901 -3.452 698 2HB LYS 95 1HB LYS 95 4.141 20.710 -5.149 699 1HG LYS 95 2HG LYS 95 2.056 21.476 -5.914 700 2HG LYS 95 1HG LYS 95 1.268 21.159 -4.368 701 1HD LYS 95 2HD LYS 95 2.287 23.031 -3.333 702 2HD LYS 95 1HD LYS 95 3.485 23.193 -4.618 703 1HE LYS 95 2HE LYS 95 1.893 24.914 -5.034 704 2HE LYS 95 1HE LYS 95 1.510 23.639 -6.192 705 1HZ LYS 95 1HZ LYS 95 -0.345 24.704 -4.724 706 2HZ LYS 95 2HZ LYS 95 0.212 23.595 -3.563 707 3HZ LYS 95 3HZ LYS 95 -0.364 23.041 -5.061 708 H LEU 96 H LEU 96 4.097 18.606 -6.565 709 HA LEU 96 HA LEU 96 1.863 18.857 -8.377 710 1HB LEU 96 2HB LEU 96 4.715 18.127 -8.547 711 2HB LEU 96 1HB LEU 96 3.690 17.333 -9.742 712 HG LEU 96 HG LEU 96 2.763 19.538 -10.393 713 1HD1 LEU 96 1HD1 LEU 96 4.933 20.850 -8.781 714 2HD1 LEU 96 2HD1 LEU 96 3.389 20.472 -8.017 715 3HD1 LEU 96 3HD1 LEU 96 3.443 21.547 -9.414 716 1HD2 LEU 96 1HD2 LEU 96 4.843 20.410 -11.458 717 2HD2 LEU 96 2HD2 LEU 96 4.693 18.660 -11.621 718 3HD2 LEU 96 3HD2 LEU 96 5.792 19.344 -10.423 719 H ILE 97 H ILE 97 3.731 15.963 -7.376 720 HA ILE 97 HA ILE 97 2.118 14.007 -8.549 721 HB ILE 97 HB ILE 97 3.408 13.844 -5.808 722 1HG1 ILE 97 2HG1 ILE 97 4.632 12.858 -8.372 723 2HG1 ILE 97 1HG1 ILE 97 4.791 14.559 -7.929 724 1HG2 ILE 97 1HG2 ILE 97 2.467 11.772 -7.805 725 2HG2 ILE 97 2HG2 ILE 97 1.950 11.969 -6.130 726 3HG2 ILE 97 3HG2 ILE 97 3.579 11.397 -6.488 727 1HD1 ILE 97 1HD1 ILE 97 6.235 14.110 -6.230 728 2HD1 ILE 97 2HD1 ILE 97 6.484 12.581 -7.074 729 3HD1 ILE 97 3HD1 ILE 97 5.346 12.671 -5.731 730 H ASP 98 H ASP 98 1.411 16.047 -5.818 731 HA ASP 98 HA ASP 98 -0.748 14.417 -4.762 732 1HB ASP 98 2HB ASP 98 0.509 16.972 -4.154 733 2HB ASP 98 1HB ASP 98 -1.248 17.074 -4.034 734 H GLU 99 H GLU 99 -0.772 17.517 -6.568 735 HA GLU 99 HA GLU 99 -3.555 17.603 -7.036 736 1HB GLU 99 2HB GLU 99 -1.292 18.593 -8.798 737 2HB GLU 99 1HB GLU 99 -2.985 19.055 -8.980 738 1HG GLU 99 2HG GLU 99 -3.013 20.239 -6.951 739 2HG GLU 99 1HG GLU 99 -1.594 19.394 -6.331 740 H GLN 100 H GLN 100 -0.991 15.987 -8.900 741 HA GLN 100 HA GLN 100 -2.717 15.142 -11.044 742 1HB GLN 100 2HB GLN 100 -0.022 14.243 -10.037 743 2HB GLN 100 1HB GLN 100 -0.840 13.369 -11.331 744 1HG GLN 100 2HG GLN 100 0.491 14.954 -12.474 745 2HG GLN 100 1HG GLN 100 -1.115 15.683 -12.455 746 1HE2 GLN 100 1HE2 GLN 100 2.117 16.358 -11.807 747 2HE2 GLN 100 2HE2 GLN 100 1.903 17.675 -10.758 748 H VAL 101 H VAL 101 -1.427 13.353 -8.219 749 HA VAL 101 HA VAL 101 -2.872 10.956 -8.667 750 HB VAL 101 HB VAL 101 -1.776 12.272 -6.187 751 1HG1 VAL 101 1HG1 VAL 101 -3.685 9.998 -6.404 752 2HG1 VAL 101 2HG1 VAL 101 -3.425 11.126 -5.072 753 3HG1 VAL 101 3HG1 VAL 101 -2.315 9.776 -5.316 754 1HG2 VAL 101 1HG2 VAL 101 -0.231 10.371 -6.274 755 2HG2 VAL 101 2HG2 VAL 101 -0.246 11.193 -7.835 756 3HG2 VAL 101 3HG2 VAL 101 -1.127 9.679 -7.627 757 H GLU 102 H GLU 102 -3.852 13.987 -7.152 758 HA GLU 102 HA GLU 102 -6.305 13.019 -6.012 759 1HB GLU 102 2HB GLU 102 -5.129 15.679 -6.656 760 2HB GLU 102 1HB GLU 102 -6.882 15.609 -6.461 761 1HG GLU 102 2HG GLU 102 -6.470 14.361 -4.281 762 2HG GLU 102 1HG GLU 102 -4.768 14.793 -4.455 763 H LYS 103 H LYS 103 -5.488 14.385 -9.187 764 HA LYS 103 HA LYS 103 -8.148 14.592 -10.191 765 1HB LYS 103 2HB LYS 103 -5.426 14.358 -11.406 766 2HB LYS 103 1HB LYS 103 -6.820 14.080 -12.450 767 1HG LYS 103 2HG LYS 103 -7.668 16.253 -12.100 768 2HG LYS 103 1HG LYS 103 -6.689 16.497 -10.652 769 1HD LYS 103 2HD LYS 103 -4.639 16.379 -12.119 770 2HD LYS 103 1HD LYS 103 -5.713 16.375 -13.518 771 1HE LYS 103 2HE LYS 103 -6.305 18.576 -13.244 772 2HE LYS 103 1HE LYS 103 -6.171 18.502 -11.488 773 1HZ LYS 103 1HZ LYS 103 -3.979 18.716 -13.467 774 2HZ LYS 103 2HZ LYS 103 -3.711 18.318 -11.837 775 3HZ LYS 103 3HZ LYS 103 -4.390 19.820 -12.248 776 H LEU 104 H LEU 104 -5.774 11.932 -10.548 777 HA LEU 104 HA LEU 104 -7.537 10.155 -11.912 778 1HB LEU 104 2HB LEU 104 -5.117 9.682 -10.159 779 2HB LEU 104 1HB LEU 104 -5.980 8.362 -10.951 780 HG LEU 104 HG LEU 104 -5.135 10.736 -12.580 781 1HD1 LEU 104 1HD1 LEU 104 -3.123 8.853 -12.938 782 2HD1 LEU 104 2HD1 LEU 104 -3.349 8.879 -11.189 783 3HD1 LEU 104 3HD1 LEU 104 -2.966 10.370 -12.051 784 1HD2 LEU 104 1HD2 LEU 104 -5.269 7.768 -13.194 785 2HD2 LEU 104 2HD2 LEU 104 -5.092 9.081 -14.356 786 3HD2 LEU 104 3HD2 LEU 104 -6.602 8.889 -13.466 787 H VAL 105 H VAL 105 -7.273 11.037 -8.548 788 HA VAL 105 HA VAL 105 -8.687 8.732 -7.502 789 HB VAL 105 HB VAL 105 -7.925 11.436 -6.438 790 1HG1 VAL 105 1HG1 VAL 105 -9.950 9.517 -5.281 791 2HG1 VAL 105 2HG1 VAL 105 -10.105 11.258 -5.513 792 3HG1 VAL 105 3HG1 VAL 105 -9.036 10.628 -4.260 793 1HG2 VAL 105 1HG2 VAL 105 -6.553 10.190 -4.987 794 2HG2 VAL 105 2HG2 VAL 105 -6.481 9.261 -6.485 795 3HG2 VAL 105 3HG2 VAL 105 -7.528 8.731 -5.168 796 H ASN 106 H ASN 106 -9.737 12.153 -7.793 797 HA ASN 106 HA ASN 106 -12.480 11.687 -7.321 798 1HB ASN 106 2HB ASN 106 -11.289 13.760 -9.191 799 2HB ASN 106 1HB ASN 106 -12.878 13.831 -8.428 800 1HD2 ASN 106 1HD2 ASN 106 -11.525 15.989 -7.732 801 2HD2 ASN 106 2HD2 ASN 106 -10.779 15.862 -6.212 802 H LEU 107 H LEU 107 -10.666 11.601 -10.383 803 HA LEU 107 HA LEU 107 -12.946 11.100 -12.057 804 1HB LEU 107 2HB LEU 107 -10.760 11.865 -12.933 805 2HB LEU 107 1HB LEU 107 -10.042 10.322 -12.473 806 HG LEU 107 HG LEU 107 -12.052 9.352 -13.924 807 1HD1 LEU 107 1HD1 LEU 107 -11.550 12.106 -15.093 808 2HD1 LEU 107 2HD1 LEU 107 -13.062 11.547 -14.376 809 3HD1 LEU 107 3HD1 LEU 107 -12.475 10.825 -15.875 810 1HD2 LEU 107 1HD2 LEU 107 -9.657 10.606 -15.289 811 2HD2 LEU 107 2HD2 LEU 107 -10.509 9.132 -15.750 812 3HD2 LEU 107 3HD2 LEU 107 -9.535 9.166 -14.279 813 H ALA 108 H ALA 108 -10.481 8.879 -10.720 814 HA ALA 108 HA ALA 108 -11.445 6.455 -11.674 815 1HB ALA 108 1HB ALA 108 -10.652 5.545 -9.364 816 2HB ALA 108 2HB ALA 108 -10.165 7.212 -9.055 817 3HB ALA 108 3HB ALA 108 -9.467 6.326 -10.411 818 H GLU 109 H GLU 109 -12.431 7.926 -8.548 819 HA GLU 109 HA GLU 109 -14.528 6.018 -8.090 820 1HB GLU 109 2HB GLU 109 -14.415 8.844 -7.008 821 2HB GLU 109 1HB GLU 109 -15.210 7.446 -6.283 822 1HG GLU 109 2HG GLU 109 -12.240 7.930 -6.595 823 2HG GLU 109 1HG GLU 109 -13.150 7.711 -5.098 824 H LYS 110 H LYS 110 -14.516 9.258 -9.565 825 HA LYS 110 HA LYS 110 -17.264 9.698 -9.827 826 1HB LYS 110 2HB LYS 110 -15.599 11.342 -10.547 827 2HB LYS 110 1HB LYS 110 -15.093 10.280 -11.861 828 1HG LYS 110 2HG LYS 110 -17.313 10.422 -12.876 829 2HG LYS 110 1HG LYS 110 -17.888 11.408 -11.531 830 1HD LYS 110 2HD LYS 110 -15.458 12.518 -12.675 831 2HD LYS 110 1HD LYS 110 -16.714 12.342 -13.900 832 1HE LYS 110 2HE LYS 110 -18.309 13.481 -12.311 833 2HE LYS 110 1HE LYS 110 -16.933 13.811 -11.260 834 1HZ LYS 110 1HZ LYS 110 -17.638 14.989 -13.821 835 2HZ LYS 110 2HZ LYS 110 -15.985 14.686 -13.573 836 3HZ LYS 110 3HZ LYS 110 -16.843 15.678 -12.492 837 H PHE 111 H PHE 111 -15.253 7.400 -11.559 838 HA PHE 111 HA PHE 111 -17.533 6.742 -13.355 839 1HB PHE 111 2HB PHE 111 -14.583 6.285 -13.425 840 2HB PHE 111 1HB PHE 111 -15.613 5.085 -14.207 841 HD1 PHE 111 HD1 PHE 111 -13.998 8.229 -14.591 842 HD2 PHE 111 HD2 PHE 111 -17.489 6.027 -15.782 843 HE1 PHE 111 HE1 PHE 111 -14.286 9.739 -16.537 844 HE2 PHE 111 HE2 PHE 111 -17.778 7.539 -17.728 845 HZ PHE 111 HZ PHE 111 -16.176 9.393 -18.105 846 H ASP 112 H ASP 112 -15.058 4.661 -11.853 847 HA ASP 112 HA ASP 112 -16.549 3.316 -9.941 848 1HB ASP 112 2HB ASP 112 -17.465 2.698 -12.659 849 2HB ASP 112 1HB ASP 112 -17.016 1.261 -11.741 850 H ILE 113 H ILE 113 -13.820 3.912 -10.779 851 HA ILE 113 HA ILE 113 -12.709 1.134 -10.741 852 HB ILE 113 HB ILE 113 -10.747 2.028 -11.971 853 1HG1 ILE 113 2HG1 ILE 113 -12.432 4.548 -12.150 854 2HG1 ILE 113 1HG1 ILE 113 -10.963 4.371 -11.191 855 1HG2 ILE 113 1HG2 ILE 113 -12.950 2.929 -13.716 856 2HG2 ILE 113 2HG2 ILE 113 -13.205 1.347 -12.979 857 3HG2 ILE 113 3HG2 ILE 113 -11.773 1.640 -13.966 858 1HD1 ILE 113 1HD1 ILE 113 -10.794 5.422 -13.581 859 2HD1 ILE 113 2HD1 ILE 113 -10.913 3.752 -14.134 860 3HD1 ILE 113 3HD1 ILE 113 -9.587 4.239 -13.081 861 H ILE 114 H ILE 114 -10.693 0.924 -9.518 862 HA ILE 114 HA ILE 114 -10.535 2.955 -7.337 863 HB ILE 114 HB ILE 114 -10.922 0.922 -6.276 864 1HG1 ILE 114 2HG1 ILE 114 -7.961 0.514 -6.533 865 2HG1 ILE 114 1HG1 ILE 114 -8.549 2.011 -5.808 866 1HG2 ILE 114 1HG2 ILE 114 -9.819 -1.215 -7.074 867 2HG2 ILE 114 2HG2 ILE 114 -9.232 -0.308 -8.469 868 3HG2 ILE 114 3HG2 ILE 114 -10.966 -0.509 -8.212 869 1HD1 ILE 114 1HD1 ILE 114 -9.919 -0.390 -4.809 870 2HD1 ILE 114 2HD1 ILE 114 -9.222 0.961 -3.915 871 3HD1 ILE 114 3HD1 ILE 114 -8.191 -0.365 -4.454 872 H TYR 115 H TYR 115 -8.542 3.882 -6.807 873 HA TYR 115 HA TYR 115 -6.293 3.272 -8.687 874 1HB TYR 115 2HB TYR 115 -6.787 5.441 -9.316 875 2HB TYR 115 1HB TYR 115 -7.459 5.857 -7.741 876 HD1 TYR 115 HD1 TYR 115 -6.142 6.948 -6.110 877 HD2 TYR 115 HD2 TYR 115 -4.250 5.131 -9.511 878 HE1 TYR 115 HE1 TYR 115 -3.983 7.979 -5.458 879 HE2 TYR 115 HE2 TYR 115 -2.090 6.162 -8.859 880 HH TYR 115 HH TYR 115 -1.587 7.599 -5.807 881 H ASP 116 H ASP 116 -5.321 1.793 -7.205 882 HA ASP 116 HA ASP 116 -4.053 3.136 -4.866 883 1HB ASP 116 2HB ASP 116 -6.125 1.390 -4.526 884 2HB ASP 116 1HB ASP 116 -4.750 0.287 -4.480 885 H GLY 117 H GLY 117 -2.238 3.201 -6.438 886 1HA GLY 117 2HA GLY 117 -0.241 1.320 -5.971 887 2HA GLY 117 1HA GLY 117 -1.072 0.732 -7.412 888 H TRP 118 H TRP 118 0.635 3.552 -6.085 889 HA TRP 118 HA TRP 118 1.243 4.352 -8.904 890 1HB TRP 118 2HB TRP 118 1.000 6.579 -8.356 891 2HB TRP 118 1HB TRP 118 -0.134 5.891 -7.195 892 HD1 TRP 118 HD1 TRP 118 0.418 6.122 -4.676 893 HE1 TRP 118 HE1 TRP 118 2.334 7.228 -3.351 894 HE3 TRP 118 HE3 TRP 118 3.666 7.103 -8.487 895 HZ2 TRP 118 HZ2 TRP 118 4.911 8.379 -3.849 896 HZ3 TRP 118 HZ3 TRP 118 5.840 8.201 -8.038 897 HH2 TRP 118 HH2 TRP 118 6.467 8.841 -5.726 898 H GLY 119 H GLY 119 3.412 4.690 -9.412 899 1HA GLY 119 2HA GLY 119 5.418 4.812 -7.264 900 2HA GLY 119 1HA GLY 119 5.479 3.359 -8.260 901 H THR 120 H THR 120 7.678 4.968 -8.301 902 HA THR 120 HA THR 120 7.520 6.165 -11.030 903 HB THR 120 HB THR 120 7.582 8.095 -9.651 904 HG1 THR 120 HG1 THR 120 10.300 7.456 -10.134 905 1HG2 THR 120 1HG2 THR 120 9.302 8.249 -7.777 906 2HG2 THR 120 2HG2 THR 120 9.549 6.515 -7.985 907 3HG2 THR 120 3HG2 THR 120 7.968 7.127 -7.499 908 H TYR 121 H TYR 121 9.260 5.629 -12.340 909 HA TYR 121 HA TYR 121 10.945 3.439 -11.547 910 1HB TYR 121 2HB TYR 121 10.209 4.237 -13.935 911 2HB TYR 121 1HB TYR 121 11.640 5.265 -13.834 912 HD1 TYR 121 HD1 TYR 121 13.884 4.158 -13.255 913 HD2 TYR 121 HD2 TYR 121 10.409 1.943 -14.468 914 HE1 TYR 121 HE1 TYR 121 15.321 2.219 -13.828 915 HE2 TYR 121 HE2 TYR 121 11.846 0.003 -15.040 916 HH TYR 121 HH TYR 121 15.205 0.225 -15.325 917 H TYR 122 H TYR 122 13.002 3.441 -10.704 918 HA TYR 122 HA TYR 122 14.062 6.027 -9.765 919 1HB TYR 122 2HB TYR 122 14.100 4.176 -8.191 920 2HB TYR 122 1HB TYR 122 14.976 3.165 -9.340 921 HD1 TYR 122 HD1 TYR 122 17.319 3.124 -9.299 922 HD2 TYR 122 HD2 TYR 122 15.235 6.444 -7.543 923 HE1 TYR 122 HE1 TYR 122 19.469 4.027 -8.456 924 HE2 TYR 122 HE2 TYR 122 17.385 7.348 -6.700 925 HH TYR 122 HH TYR 122 19.606 7.142 -6.740 926 H GLU 123 H GLU 123 15.615 7.127 -10.868 927 HA GLU 123 HA GLU 123 16.798 5.926 -13.268 928 1HB GLU 123 2HB GLU 123 16.141 8.514 -12.515 929 2HB GLU 123 1HB GLU 123 17.902 8.501 -12.409 930 1HG GLU 123 2HG GLU 123 16.400 7.442 -14.813 931 2HG GLU 123 1HG GLU 123 16.954 9.111 -14.691 932 H GLY 124 H GLY 124 18.260 4.337 -12.586 933 1HA GLY 124 2HA GLY 124 20.905 4.986 -12.032 934 2HA GLY 124 1HA GLY 124 20.164 4.792 -10.444 935 H LEU 125 H LEU 125 18.986 2.695 -10.085 936 HA LEU 125 HA LEU 125 19.173 0.353 -9.948 937 1HB LEU 125 2HB LEU 125 18.279 1.099 -12.478 938 2HB LEU 125 1HB LEU 125 19.566 -0.057 -12.815 939 HG LEU 125 HG LEU 125 18.450 -1.524 -10.996 940 1HD1 LEU 125 1HD1 LEU 125 16.963 0.185 -10.080 941 2HD1 LEU 125 2HD1 LEU 125 15.998 -1.110 -10.790 942 3HD1 LEU 125 3HD1 LEU 125 16.210 0.411 -11.659 943 1HD2 LEU 125 1HD2 LEU 125 16.472 -1.845 -12.906 944 2HD2 LEU 125 2HD2 LEU 125 18.078 -2.571 -12.975 945 3HD2 LEU 125 3HD2 LEU 125 17.761 -1.051 -13.811 946 H GLU 126 H GLU 126 21.361 0.625 -8.975 947 HA GLU 126 HA GLU 126 23.689 0.251 -8.914 948 1HB GLU 126 2HB GLU 126 22.636 -1.932 -10.724 949 2HB GLU 126 1HB GLU 126 24.315 -1.874 -10.190 950 1HG GLU 126 2HG GLU 126 22.460 -1.477 -7.975 951 2HG GLU 126 1HG GLU 126 22.191 -3.017 -8.791 952 H HIS 127 H HIS 127 24.823 1.915 -9.866 953 HA HIS 127 HA HIS 127 25.225 1.729 -12.826 954 1HB HIS 127 2HB HIS 127 23.919 3.726 -12.280 955 2HB HIS 127 1HB HIS 127 25.124 4.214 -11.088 956 HD2 HIS 127 HD2 HIS 127 24.350 5.368 -14.462 957 HE1 HIS 127 HE1 HIS 127 28.570 5.194 -14.517 958 HE2 HIS 127 HE2 HIS 127 26.522 6.091 -15.714 959 H HIS 128 H HIS 128 27.063 0.308 -12.159 960 HA HIS 128 HA HIS 128 29.275 1.542 -10.692 961 1HB HIS 128 2HB HIS 128 28.583 -1.013 -10.947 962 2HB HIS 128 1HB HIS 128 29.639 -0.919 -12.357 963 HD2 HIS 128 HD2 HIS 128 29.940 -1.171 -8.512 964 HE1 HIS 128 HE1 HIS 128 33.809 -0.335 -9.983 965 HE2 HIS 128 HE2 HIS 128 32.479 -1.023 -7.936 966 H HIS 129 H HIS 129 29.520 -0.079 -13.853 967 HA HIS 129 HA HIS 129 30.208 2.252 -15.360 968 1HB HIS 129 2HB HIS 129 32.181 1.858 -13.611 969 2HB HIS 129 1HB HIS 129 32.690 0.673 -14.814 970 HD2 HIS 129 HD2 HIS 129 34.396 3.541 -14.480 971 HE1 HIS 129 HE1 HIS 129 32.621 4.514 -18.187 972 HE2 HIS 129 HE2 HIS 129 34.484 5.100 -16.570 973 H HIS 130 H HIS 130 28.948 -0.533 -15.393 974 HA HIS 130 HA HIS 130 30.196 -1.388 -17.973 975 1HB HIS 130 2HB HIS 130 29.513 -3.739 -17.327 976 2HB HIS 130 1HB HIS 130 30.810 -3.058 -16.346 977 HD2 HIS 130 HD2 HIS 130 26.834 -3.259 -15.955 978 HE1 HIS 130 HE1 HIS 130 28.641 -3.573 -12.151 979 HE2 HIS 130 HE2 HIS 130 26.434 -3.584 -13.399 980 H HIS 131 H HIS 131 27.524 -0.087 -16.553 981 HA HIS 131 HA HIS 131 25.405 -1.592 -17.827 982 1HB HIS 131 2HB HIS 131 25.173 0.004 -15.845 983 2HB HIS 131 1HB HIS 131 25.293 1.321 -17.012 984 HD2 HIS 131 HD2 HIS 131 22.692 2.119 -17.486 985 HE1 HIS 131 HE1 HIS 131 20.917 -1.707 -17.716 986 HE2 HIS 131 HE2 HIS 131 20.493 0.785 -17.925 987 H HIS 132 HN HIS 132 24.337 -1.136 -19.791 988 HA HIS 132 HA HIS 132 24.968 1.177 -21.408 989 1HB HIS 132 2HB HIS 132 26.531 -1.324 -21.770 990 2HB HIS 132 1HB HIS 132 25.917 -0.574 -23.244 991 HD2 HIS 132 HD2 HIS 132 29.058 -0.319 -21.321 992 HE1 HIS 132 HE1 HIS 132 28.374 3.654 -22.582 993 HE2 HIS 132 HE2 HIS 132 30.091 2.059 -21.612 Start of MODEL 18 1 1H MET 1 1H MET 1 -21.472 9.922 -5.549 2 2H MET 1 2H MET 1 -22.487 8.562 -5.653 3 3H MET 1 3H MET 1 -22.618 9.625 -4.334 4 HA MET 1 HA MET 1 -23.005 11.322 -6.359 5 1HB MET 1 2HB MET 1 -24.437 8.767 -7.129 6 2HB MET 1 1HB MET 1 -24.393 10.287 -8.021 7 1HG MET 1 2HG MET 1 -22.178 9.971 -8.711 8 2HG MET 1 1HG MET 1 -21.831 8.835 -7.406 9 1HE MET 1 1HE MET 1 -20.660 8.220 -9.492 10 2HE MET 1 2HE MET 1 -21.328 7.370 -10.883 11 3HE MET 1 3HE MET 1 -20.987 6.484 -9.399 12 H SER 2 H SER 2 -23.702 10.021 -3.587 13 HA SER 2 HA SER 2 -26.629 10.598 -3.652 14 1HB SER 2 2HB SER 2 -26.667 9.446 -1.440 15 2HB SER 2 1HB SER 2 -26.063 8.409 -2.728 16 HG SER 2 HG SER 2 -24.012 9.758 -1.747 17 H HIS 3 H HIS 3 -25.270 12.896 -3.822 18 HA HIS 3 HA HIS 3 -24.686 14.897 -2.712 19 1HB HIS 3 2HB HIS 3 -27.109 14.915 -2.434 20 2HB HIS 3 1HB HIS 3 -26.983 13.867 -1.020 21 HD2 HIS 3 HD2 HIS 3 -27.603 15.640 1.034 22 HE1 HIS 3 HE1 HIS 3 -24.911 18.710 -0.043 23 HE2 HIS 3 HE2 HIS 3 -26.576 17.941 1.709 24 H GLN 4 H GLN 4 -22.612 13.770 -2.026 25 HA GLN 4 HA GLN 4 -22.319 12.580 0.551 26 1HB GLN 4 2HB GLN 4 -20.270 14.186 -1.007 27 2HB GLN 4 1HB GLN 4 -19.927 13.031 0.283 28 1HG GLN 4 2HG GLN 4 -20.622 11.187 -1.024 29 2HG GLN 4 1HG GLN 4 -21.468 12.216 -2.180 30 1HE2 GLN 4 1HE2 GLN 4 -20.065 11.046 -3.837 31 2HE2 GLN 4 2HE2 GLN 4 -18.488 11.615 -4.098 32 H ASP 5 H ASP 5 -23.776 14.120 1.749 33 HA ASP 5 HA ASP 5 -22.889 16.841 2.212 34 1HB ASP 5 2HB ASP 5 -24.513 16.532 4.256 35 2HB ASP 5 1HB ASP 5 -25.175 16.570 2.622 36 H ASP 6 H ASP 6 -20.724 15.077 2.616 37 HA ASP 6 HA ASP 6 -20.030 15.781 5.384 38 1HB ASP 6 2HB ASP 6 -21.201 13.440 5.305 39 2HB ASP 6 1HB ASP 6 -19.673 12.895 4.613 40 H TYR 7 H TYR 7 -19.186 14.521 2.229 41 HA TYR 7 HA TYR 7 -17.048 14.189 1.242 42 1HB TYR 7 2HB TYR 7 -17.327 16.968 2.268 43 2HB TYR 7 1HB TYR 7 -15.714 16.480 1.749 44 HD1 TYR 7 HD1 TYR 7 -19.247 16.843 0.674 45 HD2 TYR 7 HD2 TYR 7 -15.203 16.089 -0.563 46 HE1 TYR 7 HE1 TYR 7 -19.920 17.122 -1.696 47 HE2 TYR 7 HE2 TYR 7 -15.876 16.366 -2.933 48 HH TYR 7 HH TYR 7 -19.264 17.075 -3.809 49 H LEU 8 H LEU 8 -16.672 12.533 3.107 50 HA LEU 8 HA LEU 8 -14.182 13.369 4.520 51 1HB LEU 8 2HB LEU 8 -16.461 13.145 5.915 52 2HB LEU 8 1HB LEU 8 -15.999 11.443 5.894 53 HG LEU 8 HG LEU 8 -13.619 12.456 6.544 54 1HD1 LEU 8 1HD1 LEU 8 -13.743 14.441 7.854 55 2HD1 LEU 8 2HD1 LEU 8 -15.506 14.406 7.877 56 3HD1 LEU 8 3HD1 LEU 8 -14.651 14.801 6.385 57 1HD2 LEU 8 1HD2 LEU 8 -16.011 11.747 8.202 58 2HD2 LEU 8 2HD2 LEU 8 -14.580 12.371 9.024 59 3HD2 LEU 8 3HD2 LEU 8 -14.468 10.907 8.048 60 H SER 9 H SER 9 -13.243 12.215 2.626 61 HA SER 9 HA SER 9 -12.526 9.517 3.290 62 1HB SER 9 2HB SER 9 -13.608 8.781 0.907 63 2HB SER 9 1HB SER 9 -14.408 8.525 2.456 64 HG SER 9 HG SER 9 -14.865 11.021 1.670 65 H VAL 10 H VAL 10 -13.121 11.194 0.178 66 HA VAL 10 HA VAL 10 -10.733 10.439 -1.084 67 HB VAL 10 HB VAL 10 -11.011 12.494 -2.468 68 1HG1 VAL 10 1HG1 VAL 10 -12.492 11.137 -3.494 69 2HG1 VAL 10 2HG1 VAL 10 -13.755 11.929 -2.553 70 3HG1 VAL 10 3HG1 VAL 10 -13.012 10.444 -1.957 71 1HG2 VAL 10 1HG2 VAL 10 -13.355 13.148 -0.672 72 2HG2 VAL 10 2HG2 VAL 10 -12.624 14.155 -1.922 73 3HG2 VAL 10 3HG2 VAL 10 -11.761 13.857 -0.413 74 H GLU 11 H GLU 11 -11.240 12.763 1.456 75 HA GLU 11 HA GLU 11 -8.719 14.165 1.093 76 1HB GLU 11 2HB GLU 11 -10.891 14.880 2.407 77 2HB GLU 11 1HB GLU 11 -10.133 14.004 3.739 78 1HG GLU 11 2HG GLU 11 -8.005 15.422 2.969 79 2HG GLU 11 1HG GLU 11 -9.257 16.514 2.377 80 H GLU 12 H GLU 12 -9.780 11.289 2.800 81 HA GLU 12 HA GLU 12 -7.432 11.047 4.476 82 1HB GLU 12 2HB GLU 12 -9.108 8.716 3.555 83 2HB GLU 12 1HB GLU 12 -8.293 8.942 5.103 84 1HG GLU 12 2HG GLU 12 -10.604 10.650 4.138 85 2HG GLU 12 1HG GLU 12 -10.778 9.275 5.228 86 H LEU 13 H LEU 13 -8.441 9.295 1.514 87 HA LEU 13 HA LEU 13 -6.112 7.805 1.089 88 1HB LEU 13 2HB LEU 13 -7.628 9.207 -1.127 89 2HB LEU 13 1HB LEU 13 -6.737 7.688 -1.229 90 HG LEU 13 HG LEU 13 -9.168 8.119 0.531 91 1HD1 LEU 13 1HD1 LEU 13 -10.347 6.728 -1.153 92 2HD1 LEU 13 2HD1 LEU 13 -8.904 6.759 -2.168 93 3HD1 LEU 13 3HD1 LEU 13 -9.786 8.251 -1.842 94 1HD2 LEU 13 1HD2 LEU 13 -7.838 6.353 1.420 95 2HD2 LEU 13 2HD2 LEU 13 -7.446 5.738 -0.186 96 3HD2 LEU 13 3HD2 LEU 13 -9.077 5.550 0.456 97 H ILE 14 H ILE 14 -6.789 11.093 -0.151 98 HA ILE 14 HA ILE 14 -4.270 11.549 -1.353 99 HB ILE 14 HB ILE 14 -6.166 13.485 0.008 100 1HG1 ILE 14 2HG1 ILE 14 -5.693 13.052 -2.947 101 2HG1 ILE 14 1HG1 ILE 14 -6.882 12.105 -2.050 102 1HG2 ILE 14 1HG2 ILE 14 -4.266 14.793 -0.083 103 2HG2 ILE 14 2HG2 ILE 14 -4.850 15.032 -1.730 104 3HG2 ILE 14 3HG2 ILE 14 -3.565 13.867 -1.410 105 1HD1 ILE 14 1HD1 ILE 14 -8.181 13.887 -2.823 106 2HD1 ILE 14 2HD1 ILE 14 -6.870 15.052 -2.639 107 3HD1 ILE 14 3HD1 ILE 14 -7.718 14.449 -1.216 108 H GLU 15 H GLU 15 -5.304 11.918 2.016 109 HA GLU 15 HA GLU 15 -2.905 13.195 2.946 110 1HB GLU 15 2HB GLU 15 -5.253 11.855 4.163 111 2HB GLU 15 1HB GLU 15 -3.788 11.868 5.146 112 1HG GLU 15 2HG GLU 15 -4.634 14.401 3.786 113 2HG GLU 15 1HG GLU 15 -5.480 13.899 5.250 114 H ILE 16 H ILE 16 -3.956 9.782 3.274 115 HA ILE 16 HA ILE 16 -1.638 8.710 4.382 116 HB ILE 16 HB ILE 16 -3.281 7.418 2.183 117 1HG1 ILE 16 2HG1 ILE 16 -3.672 7.279 5.188 118 2HG1 ILE 16 1HG1 ILE 16 -4.608 8.335 4.129 119 1HG2 ILE 16 1HG2 ILE 16 -0.961 6.540 3.432 120 2HG2 ILE 16 2HG2 ILE 16 -2.144 5.512 2.625 121 3HG2 ILE 16 3HG2 ILE 16 -2.242 5.768 4.368 122 1HD1 ILE 16 1HD1 ILE 16 -4.406 5.409 3.485 123 2HD1 ILE 16 2HD1 ILE 16 -5.686 6.554 3.079 124 3HD1 ILE 16 3HD1 ILE 16 -5.535 5.947 4.729 125 H GLN 17 H GLN 17 -2.301 8.986 0.867 126 HA GLN 17 HA GLN 17 0.331 8.157 0.086 127 1HB GLN 17 2HB GLN 17 -2.043 8.727 -1.230 128 2HB GLN 17 1HB GLN 17 -0.967 10.018 -1.765 129 1HG GLN 17 2HG GLN 17 -0.791 8.054 -3.249 130 2HG GLN 17 1HG GLN 17 0.729 8.345 -2.405 131 1HE2 GLN 17 1HE2 GLN 17 -2.327 6.478 -1.890 132 2HE2 GLN 17 2HE2 GLN 17 -1.554 5.127 -1.213 133 H LYS 18 H LYS 18 -0.872 11.133 1.346 134 HA LYS 18 HA LYS 18 1.044 12.922 0.159 135 1HB LYS 18 2HB LYS 18 -1.114 13.445 1.550 136 2HB LYS 18 1HB LYS 18 -0.039 13.307 2.942 137 1HG LYS 18 2HG LYS 18 1.368 15.073 2.148 138 2HG LYS 18 1HG LYS 18 0.586 15.073 0.566 139 1HD LYS 18 2HD LYS 18 -1.082 15.568 3.010 140 2HD LYS 18 1HD LYS 18 -0.088 16.879 2.371 141 1HE LYS 18 2HE LYS 18 -1.172 16.756 0.224 142 2HE LYS 18 1HE LYS 18 -2.013 15.272 0.672 143 1HZ LYS 18 1HZ LYS 18 -2.732 16.962 2.638 144 2HZ LYS 18 2HZ LYS 18 -3.657 16.645 1.248 145 3HZ LYS 18 3HZ LYS 18 -2.648 18.010 1.307 146 H GLU 19 H GLU 19 1.030 11.094 3.224 147 HA GLU 19 HA GLU 19 3.682 12.008 3.983 148 1HB GLU 19 2HB GLU 19 1.658 10.872 5.367 149 2HB GLU 19 1HB GLU 19 2.645 9.442 5.068 150 1HG GLU 19 2HG GLU 19 3.706 10.157 6.972 151 2HG GLU 19 1HG GLU 19 4.587 11.155 5.815 152 H GLU 20 H GLU 20 2.448 8.833 2.863 153 HA GLU 20 HA GLU 20 4.933 7.536 2.610 154 1HB GLU 20 2HB GLU 20 2.799 6.356 2.342 155 2HB GLU 20 1HB GLU 20 2.476 7.247 0.855 156 1HG GLU 20 2HG GLU 20 4.385 6.238 -0.239 157 2HG GLU 20 1HG GLU 20 4.897 5.473 1.266 158 H THR 21 H THR 21 3.210 9.520 0.191 159 HA THR 21 HA THR 21 5.047 9.239 -1.935 160 HB THR 21 HB THR 21 3.370 11.630 -1.122 161 HG1 THR 21 HG1 THR 21 2.314 10.672 -3.152 162 1HG2 THR 21 1HG2 THR 21 5.240 12.318 -2.574 163 2HG2 THR 21 2HG2 THR 21 3.704 12.411 -3.435 164 3HG2 THR 21 3HG2 THR 21 4.801 11.062 -3.733 165 H ARG 22 H ARG 22 5.010 11.734 0.636 166 HA ARG 22 HA ARG 22 7.330 13.128 -0.133 167 1HB ARG 22 2HB ARG 22 5.669 12.953 2.203 168 2HB ARG 22 1HB ARG 22 7.359 12.935 2.710 169 1HG ARG 22 2HG ARG 22 7.689 14.915 1.103 170 2HG ARG 22 1HG ARG 22 5.928 15.023 1.063 171 1HD ARG 22 2HD ARG 22 6.529 14.784 3.775 172 2HD ARG 22 1HD ARG 22 7.785 15.855 3.158 173 HE ARG 22 HE ARG 22 5.202 16.716 3.711 174 1HH1 ARG 22 1HH2 ARG 22 7.201 16.485 0.904 175 2HH1 ARG 22 2HH2 ARG 22 6.392 17.765 0.068 176 1HH2 ARG 22 2HH1 ARG 22 4.148 18.388 2.631 177 2HH2 ARG 22 1HH1 ARG 22 4.669 18.842 1.042 178 H ASP 23 H ASP 23 7.064 10.200 1.890 179 HA ASP 23 HA ASP 23 9.820 9.957 2.532 180 1HB ASP 23 2HB ASP 23 8.315 8.536 3.698 181 2HB ASP 23 1HB ASP 23 7.618 7.915 2.201 182 H ILE 24 H ILE 24 7.991 8.572 -0.212 183 HA ILE 24 HA ILE 24 10.168 7.221 -1.429 184 HB ILE 24 HB ILE 24 7.751 8.537 -2.703 185 1HG1 ILE 24 2HG1 ILE 24 8.293 5.636 -2.001 186 2HG1 ILE 24 1HG1 ILE 24 7.336 6.730 -1.002 187 1HG2 ILE 24 1HG2 ILE 24 8.996 8.176 -4.593 188 2HG2 ILE 24 2HG2 ILE 24 8.434 6.519 -4.373 189 3HG2 ILE 24 3HG2 ILE 24 10.036 6.990 -3.804 190 1HD1 ILE 24 1HD1 ILE 24 6.508 5.244 -3.317 191 2HD1 ILE 24 2HD1 ILE 24 6.354 6.967 -3.659 192 3HD1 ILE 24 3HD1 ILE 24 5.533 6.268 -2.263 193 H ILE 25 H ILE 25 8.805 10.330 -2.585 194 HA ILE 25 HA ILE 25 10.870 11.079 -4.283 195 HB ILE 25 HB ILE 25 9.039 12.680 -2.515 196 1HG1 ILE 25 2HG1 ILE 25 8.082 13.338 -4.639 197 2HG1 ILE 25 1HG1 ILE 25 9.432 12.622 -5.521 198 1HG2 ILE 25 1HG2 ILE 25 10.975 14.070 -2.489 199 2HG2 ILE 25 2HG2 ILE 25 9.964 14.709 -3.785 200 3HG2 ILE 25 3HG2 ILE 25 11.357 13.696 -4.171 201 1HD1 ILE 25 1HD1 ILE 25 8.770 10.412 -4.967 202 2HD1 ILE 25 2HD1 ILE 25 7.268 11.235 -5.389 203 3HD1 ILE 25 3HD1 ILE 25 7.682 10.972 -3.696 204 H GLN 26 H GLN 26 10.728 11.586 -0.756 205 HA GLN 26 HA GLN 26 13.084 13.058 -0.396 206 1HB GLN 26 2HB GLN 26 11.725 10.951 1.275 207 2HB GLN 26 1HB GLN 26 13.248 11.666 1.807 208 1HG GLN 26 2HG GLN 26 11.093 13.518 0.884 209 2HG GLN 26 1HG GLN 26 10.900 12.755 2.462 210 1HE2 GLN 26 1HE2 GLN 26 14.187 13.202 1.451 211 2HE2 GLN 26 2HE2 GLN 26 14.524 14.552 2.421 212 H ALA 27 H ALA 27 12.925 9.500 0.008 213 HA ALA 27 HA ALA 27 15.587 8.867 0.114 214 1HB ALA 27 1HB ALA 27 13.623 7.250 0.007 215 2HB ALA 27 2HB ALA 27 15.076 6.731 -0.848 216 3HB ALA 27 3HB ALA 27 13.712 7.392 -1.749 217 H LEU 28 H LEU 28 13.799 9.584 -2.892 218 HA LEU 28 HA LEU 28 16.041 9.219 -4.641 219 1HB LEU 28 2HB LEU 28 13.746 11.134 -5.106 220 2HB LEU 28 1HB LEU 28 14.709 10.286 -6.317 221 HG LEU 28 HG LEU 28 12.742 9.068 -4.361 222 1HD1 LEU 28 1HD1 LEU 28 12.844 8.938 -7.385 223 2HD1 LEU 28 2HD1 LEU 28 11.909 10.144 -6.502 224 3HD1 LEU 28 3HD1 LEU 28 11.522 8.432 -6.334 225 1HD2 LEU 28 1HD2 LEU 28 13.399 6.934 -5.682 226 2HD2 LEU 28 2HD2 LEU 28 14.507 7.494 -4.430 227 3HD2 LEU 28 3HD2 LEU 28 14.854 7.827 -6.126 228 H LEU 29 H LEU 29 14.943 11.954 -2.707 229 HA LEU 29 HA LEU 29 16.667 13.901 -3.972 230 1HB LEU 29 2HB LEU 29 14.788 13.828 -1.756 231 2HB LEU 29 1HB LEU 29 16.239 14.735 -1.328 232 HG LEU 29 HG LEU 29 16.000 16.152 -3.284 233 1HD1 LEU 29 1HD1 LEU 29 15.027 15.258 -5.112 234 2HD1 LEU 29 2HD1 LEU 29 13.470 15.504 -4.321 235 3HD1 LEU 29 3HD1 LEU 29 14.307 13.959 -4.159 236 1HD2 LEU 29 1HD2 LEU 29 13.282 15.836 -1.972 237 2HD2 LEU 29 2HD2 LEU 29 13.938 17.298 -2.708 238 3HD2 LEU 29 3HD2 LEU 29 14.647 16.664 -1.223 239 H GLU 30 H GLU 30 16.920 12.180 -0.833 240 HA GLU 30 HA GLU 30 19.549 13.090 -0.225 241 1HB GLU 30 2HB GLU 30 18.051 11.959 1.410 242 2HB GLU 30 1HB GLU 30 18.278 10.443 0.538 243 1HG GLU 30 2HG GLU 30 20.411 10.153 1.316 244 2HG GLU 30 1HG GLU 30 20.757 11.883 1.312 245 H ASP 31 H ASP 31 18.424 10.801 -2.540 246 HA ASP 31 HA ASP 31 20.947 9.330 -2.732 247 1HB ASP 31 2HB ASP 31 18.642 8.416 -3.343 248 2HB ASP 31 1HB ASP 31 18.729 9.424 -4.787 249 H GLY 32 H GLY 32 19.454 12.112 -4.276 250 1HA GLY 32 2HA GLY 32 21.247 13.721 -5.151 251 2HA GLY 32 1HA GLY 32 21.846 12.331 -6.058 252 H SER 33 H SER 33 18.438 12.461 -5.714 253 HA SER 33 HA SER 33 18.026 12.646 -8.554 254 1HB SER 33 2HB SER 33 16.413 11.491 -7.123 255 2HB SER 33 1HB SER 33 16.083 12.984 -6.248 256 HG SER 33 HG SER 33 15.431 12.261 -8.892 257 H ASP 34 H ASP 34 17.777 14.437 -9.819 258 HA ASP 34 HA ASP 34 17.738 17.077 -8.440 259 1HB ASP 34 2HB ASP 34 18.241 16.663 -11.385 260 2HB ASP 34 1HB ASP 34 18.773 17.990 -10.350 261 HA PRO 35 HA PRO 35 13.559 17.689 -9.759 262 1HB PRO 35 2HB PRO 35 13.477 20.426 -9.744 263 2HB PRO 35 1HB PRO 35 13.462 19.440 -8.270 264 1HG PRO 35 2HG PRO 35 15.704 20.930 -9.528 265 2HG PRO 35 1HG PRO 35 15.319 20.700 -7.814 266 1HD PRO 35 2HD PRO 35 17.275 19.281 -9.128 267 2HD PRO 35 1HD PRO 35 16.405 18.669 -7.705 268 H ASP 36 H ASP 36 16.225 18.716 -11.643 269 HA ASP 36 HA ASP 36 14.461 19.646 -13.855 270 1HB ASP 36 2HB ASP 36 16.538 20.426 -14.917 271 2HB ASP 36 1HB ASP 36 16.414 21.060 -13.275 272 H ALA 37 H ALA 37 15.631 16.789 -12.748 273 HA ALA 37 HA ALA 37 16.588 15.663 -15.276 274 1HB ALA 37 1HB ALA 37 17.181 14.928 -12.836 275 2HB ALA 37 2HB ALA 37 16.972 13.688 -14.072 276 3HB ALA 37 3HB ALA 37 15.672 14.019 -12.928 277 H LEU 38 H LEU 38 13.538 15.997 -13.618 278 HA LEU 38 HA LEU 38 11.369 15.558 -14.432 279 1HB LEU 38 2HB LEU 38 12.927 15.675 -16.751 280 2HB LEU 38 1HB LEU 38 12.091 14.126 -16.866 281 HG LEU 38 HG LEU 38 9.951 15.384 -16.268 282 1HD1 LEU 38 1HD1 LEU 38 10.686 17.430 -15.371 283 2HD1 LEU 38 2HD1 LEU 38 10.180 17.877 -17.000 284 3HD1 LEU 38 3HD1 LEU 38 11.892 17.659 -16.637 285 1HD2 LEU 38 1HD2 LEU 38 11.023 14.790 -18.663 286 2HD2 LEU 38 2HD2 LEU 38 10.997 16.548 -18.808 287 3HD2 LEU 38 3HD2 LEU 38 9.499 15.666 -18.510 288 H TYR 39 H TYR 39 10.022 13.785 -14.069 289 HA TYR 39 HA TYR 39 11.362 11.113 -13.946 290 1HB TYR 39 2HB TYR 39 9.735 12.565 -11.903 291 2HB TYR 39 1HB TYR 39 9.527 10.818 -12.024 292 HD1 TYR 39 HD1 TYR 39 12.147 13.467 -11.714 293 HD2 TYR 39 HD2 TYR 39 11.095 9.356 -11.051 294 HE1 TYR 39 HE1 TYR 39 14.261 13.128 -10.464 295 HE2 TYR 39 HE2 TYR 39 13.210 9.016 -9.801 296 HH TYR 39 HH TYR 39 14.834 10.477 -8.506 297 H GLU 40 H GLU 40 9.739 9.294 -14.031 298 HA GLU 40 HA GLU 40 7.471 10.051 -15.827 299 1HB GLU 40 2HB GLU 40 8.261 7.214 -15.732 300 2HB GLU 40 1HB GLU 40 7.955 8.249 -17.126 301 1HG GLU 40 2HG GLU 40 10.210 9.386 -16.479 302 2HG GLU 40 1HG GLU 40 10.500 7.913 -15.553 303 H ILE 41 H ILE 41 5.759 10.261 -14.397 304 HA ILE 41 HA ILE 41 5.415 8.488 -12.120 305 HB ILE 41 HB ILE 41 3.303 10.249 -13.384 306 1HG1 ILE 41 2HG1 ILE 41 5.140 11.725 -13.104 307 2HG1 ILE 41 1HG1 ILE 41 4.192 11.928 -11.631 308 1HG2 ILE 41 1HG2 ILE 41 2.327 8.946 -11.680 309 2HG2 ILE 41 2HG2 ILE 41 2.755 10.441 -10.849 310 3HG2 ILE 41 3HG2 ILE 41 3.774 9.012 -10.675 311 1HD1 ILE 41 1HD1 ILE 41 6.475 11.686 -10.937 312 2HD1 ILE 41 2HD1 ILE 41 6.713 10.292 -11.990 313 3HD1 ILE 41 3HD1 ILE 41 5.678 10.157 -10.569 314 H GLU 42 H GLU 42 4.358 6.549 -12.082 315 HA GLU 42 HA GLU 42 2.746 5.818 -14.494 316 1HB GLU 42 2HB GLU 42 3.483 3.418 -13.885 317 2HB GLU 42 1HB GLU 42 4.687 4.465 -14.637 318 1HG GLU 42 2HG GLU 42 5.710 4.945 -12.511 319 2HG GLU 42 1HG GLU 42 4.398 4.153 -11.638 320 H HIS 43 H HIS 43 0.641 5.587 -13.933 321 HA HIS 43 HA HIS 43 -0.001 4.848 -11.115 322 1HB HIS 43 2HB HIS 43 -1.697 6.102 -13.295 323 2HB HIS 43 1HB HIS 43 -2.293 5.676 -11.691 324 HD2 HIS 43 HD2 HIS 43 -1.047 8.780 -13.298 325 HE1 HIS 43 HE1 HIS 43 0.369 9.076 -9.330 326 HE2 HIS 43 HE2 HIS 43 -0.027 10.354 -11.486 327 H HIS 44 H HIS 44 -1.662 3.211 -10.755 328 HA HIS 44 HA HIS 44 -2.139 1.417 -13.094 329 1HB HIS 44 2HB HIS 44 -0.473 0.860 -10.845 330 2HB HIS 44 1HB HIS 44 -1.913 -0.148 -10.698 331 HD2 HIS 44 HD2 HIS 44 -2.317 -0.723 -13.979 332 HE1 HIS 44 HE1 HIS 44 1.569 -2.359 -13.716 333 HE2 HIS 44 HE2 HIS 44 -0.541 -2.257 -15.121 334 H LEU 45 H LEU 45 -4.328 1.697 -13.323 335 HA LEU 45 HA LEU 45 -6.003 1.410 -10.859 336 1HB LEU 45 2HB LEU 45 -6.657 2.826 -13.463 337 2HB LEU 45 1HB LEU 45 -7.738 2.686 -12.077 338 HG LEU 45 HG LEU 45 -5.482 3.673 -10.888 339 1HD1 LEU 45 1HD1 LEU 45 -4.539 5.402 -12.275 340 2HD1 LEU 45 2HD1 LEU 45 -5.722 5.101 -13.549 341 3HD1 LEU 45 3HD1 LEU 45 -4.474 3.903 -13.202 342 1HD2 LEU 45 1HD2 LEU 45 -6.687 5.903 -11.047 343 2HD2 LEU 45 2HD2 LEU 45 -7.684 4.562 -10.483 344 3HD2 LEU 45 3HD2 LEU 45 -7.826 5.125 -12.147 345 H PHE 46 H PHE 46 -7.909 0.077 -11.059 346 HA PHE 46 HA PHE 46 -7.986 -1.630 -13.506 347 1HB PHE 46 2HB PHE 46 -8.675 -3.445 -11.642 348 2HB PHE 46 1HB PHE 46 -7.003 -3.202 -12.148 349 HD1 PHE 46 HD1 PHE 46 -5.696 -1.299 -10.869 350 HD2 PHE 46 HD2 PHE 46 -9.205 -3.273 -9.370 351 HE1 PHE 46 HE1 PHE 46 -5.090 -0.622 -8.561 352 HE2 PHE 46 HE2 PHE 46 -8.599 -2.596 -7.061 353 HZ PHE 46 HZ PHE 46 -6.541 -1.270 -6.657 354 H ALA 47 H ALA 47 -10.087 -2.818 -13.694 355 HA ALA 47 HA ALA 47 -12.329 -1.680 -12.138 356 1HB ALA 47 1HB ALA 47 -13.485 -0.768 -13.992 357 2HB ALA 47 2HB ALA 47 -12.437 -1.584 -15.153 358 3HB ALA 47 3HB ALA 47 -11.822 -0.222 -14.217 359 H GLU 48 H GLU 48 -14.463 -2.756 -13.098 360 HA GLU 48 HA GLU 48 -13.794 -5.627 -13.602 361 1HB GLU 48 2HB GLU 48 -14.974 -5.048 -11.432 362 2HB GLU 48 1HB GLU 48 -16.354 -4.538 -12.405 363 1HG GLU 48 2HG GLU 48 -15.626 -7.061 -13.417 364 2HG GLU 48 1HG GLU 48 -15.539 -7.220 -11.663 365 H ASP 49 H ASP 49 -15.688 -2.869 -14.644 366 HA ASP 49 HA ASP 49 -17.009 -4.523 -16.733 367 1HB ASP 49 2HB ASP 49 -17.561 -1.912 -15.434 368 2HB ASP 49 1HB ASP 49 -17.963 -2.017 -17.148 369 H PHE 50 H PHE 50 -15.474 -4.841 -18.338 370 HA PHE 50 HA PHE 50 -13.373 -3.261 -19.165 371 1HB PHE 50 2HB PHE 50 -13.780 -5.376 -20.252 372 2HB PHE 50 1HB PHE 50 -15.325 -4.811 -20.888 373 HD1 PHE 50 HD1 PHE 50 -15.450 -3.549 -22.904 374 HD2 PHE 50 HD2 PHE 50 -11.643 -4.289 -21.059 375 HE1 PHE 50 HE1 PHE 50 -14.304 -2.662 -24.915 376 HE2 PHE 50 HE2 PHE 50 -10.495 -3.401 -23.072 377 HZ PHE 50 HZ PHE 50 -11.827 -2.588 -25.000 378 H ASP 51 H ASP 51 -16.787 -2.835 -20.094 379 HA ASP 51 HA ASP 51 -16.464 -0.700 -21.914 380 1HB ASP 51 2HB ASP 51 -18.754 -0.459 -20.055 381 2HB ASP 51 1HB ASP 51 -18.738 -0.540 -21.818 382 H LYS 52 H LYS 52 -17.285 -0.396 -18.436 383 HA LYS 52 HA LYS 52 -16.888 2.405 -18.281 384 1HB LYS 52 2HB LYS 52 -17.936 0.920 -16.515 385 2HB LYS 52 1HB LYS 52 -16.305 0.426 -16.061 386 1HG LYS 52 2HG LYS 52 -16.536 2.205 -14.617 387 2HG LYS 52 1HG LYS 52 -15.940 3.083 -16.026 388 1HD LYS 52 2HD LYS 52 -17.879 4.272 -15.278 389 2HD LYS 52 1HD LYS 52 -18.376 3.378 -16.717 390 1HE LYS 52 2HE LYS 52 -18.671 1.815 -14.258 391 2HE LYS 52 1HE LYS 52 -19.643 3.287 -14.253 392 1HZ LYS 52 1HZ LYS 52 -20.874 1.500 -15.253 393 2HZ LYS 52 2HZ LYS 52 -19.622 1.195 -16.360 394 3HZ LYS 52 3HZ LYS 52 -20.499 2.647 -16.445 395 H LEU 53 H LEU 53 -14.597 -0.187 -18.497 396 HA LEU 53 HA LEU 53 -12.342 1.182 -17.332 397 1HB LEU 53 2HB LEU 53 -12.633 -1.344 -17.919 398 2HB LEU 53 1HB LEU 53 -12.091 -0.865 -19.528 399 HG LEU 53 HG LEU 53 -10.549 -0.054 -17.067 400 1HD1 LEU 53 1HD1 LEU 53 -9.289 -2.046 -17.108 401 2HD1 LEU 53 2HD1 LEU 53 -9.889 -2.498 -18.703 402 3HD1 LEU 53 3HD1 LEU 53 -10.949 -2.612 -17.298 403 1HD2 LEU 53 1HD2 LEU 53 -9.885 1.116 -19.042 404 2HD2 LEU 53 2HD2 LEU 53 -9.973 -0.347 -20.024 405 3HD2 LEU 53 3HD2 LEU 53 -8.689 -0.162 -18.828 406 H GLU 54 H GLU 54 -13.282 0.644 -20.749 407 HA GLU 54 HA GLU 54 -11.244 2.328 -21.842 408 1HB GLU 54 2HB GLU 54 -13.796 1.138 -22.818 409 2HB GLU 54 1HB GLU 54 -13.151 2.503 -23.730 410 1HG GLU 54 2HG GLU 54 -11.384 0.189 -22.945 411 2HG GLU 54 1HG GLU 54 -12.371 0.122 -24.405 412 H LYS 55 H LYS 55 -14.300 3.025 -20.333 413 HA LYS 55 HA LYS 55 -14.675 5.662 -21.442 414 1HB LYS 55 2HB LYS 55 -15.720 4.213 -19.018 415 2HB LYS 55 1HB LYS 55 -16.039 5.935 -19.228 416 1HG LYS 55 2HG LYS 55 -16.890 5.371 -21.559 417 2HG LYS 55 1HG LYS 55 -16.821 3.675 -21.080 418 1HD LYS 55 2HD LYS 55 -18.361 4.087 -19.236 419 2HD LYS 55 1HD LYS 55 -18.368 5.815 -19.592 420 1HE LYS 55 2HE LYS 55 -20.348 4.950 -20.604 421 2HE LYS 55 1HE LYS 55 -19.205 5.185 -21.927 422 1HZ LYS 55 1HZ LYS 55 -20.416 2.986 -21.850 423 2HZ LYS 55 2HZ LYS 55 -19.456 2.604 -20.500 424 3HZ LYS 55 3HZ LYS 55 -18.728 2.909 -22.005 425 H ALA 56 H ALA 56 -13.581 4.688 -18.166 426 HA ALA 56 HA ALA 56 -12.635 7.272 -17.430 427 1HB ALA 56 1HB ALA 56 -13.002 5.247 -15.911 428 2HB ALA 56 2HB ALA 56 -11.544 6.188 -15.600 429 3HB ALA 56 3HB ALA 56 -11.438 4.662 -16.477 430 H ALA 57 H ALA 57 -10.893 4.479 -18.827 431 HA ALA 57 HA ALA 57 -8.322 5.658 -18.929 432 1HB ALA 57 1HB ALA 57 -7.733 3.916 -20.367 433 2HB ALA 57 2HB ALA 57 -9.297 3.928 -21.184 434 3HB ALA 57 3HB ALA 57 -9.152 3.240 -19.567 435 H VAL 58 H VAL 58 -10.918 5.688 -21.390 436 HA VAL 58 HA VAL 58 -9.594 7.246 -23.338 437 HB VAL 58 HB VAL 58 -12.495 6.962 -22.565 438 1HG1 VAL 58 1HG1 VAL 58 -11.246 8.830 -24.577 439 2HG1 VAL 58 2HG1 VAL 58 -12.506 9.173 -23.391 440 3HG1 VAL 58 3HG1 VAL 58 -12.875 8.197 -24.813 441 1HG2 VAL 58 1HG2 VAL 58 -12.609 5.521 -24.377 442 2HG2 VAL 58 2HG2 VAL 58 -10.929 5.273 -23.905 443 3HG2 VAL 58 3HG2 VAL 58 -11.318 6.349 -25.249 444 H GLU 59 H GLU 59 -11.589 8.314 -20.577 445 HA GLU 59 HA GLU 59 -11.315 11.118 -21.079 446 1HB GLU 59 2HB GLU 59 -12.686 9.576 -19.250 447 2HB GLU 59 1HB GLU 59 -11.455 10.339 -18.243 448 1HG GLU 59 2HG GLU 59 -13.153 11.912 -20.191 449 2HG GLU 59 1HG GLU 59 -13.637 11.642 -18.517 450 H ALA 60 H ALA 60 -9.291 8.787 -19.360 451 HA ALA 60 HA ALA 60 -7.532 10.747 -18.177 452 1HB ALA 60 1HB ALA 60 -7.614 7.814 -18.478 453 2HB ALA 60 2HB ALA 60 -7.100 8.790 -17.101 454 3HB ALA 60 3HB ALA 60 -5.986 8.493 -18.437 455 H PHE 61 H PHE 61 -6.844 8.449 -20.848 456 HA PHE 61 HA PHE 61 -4.497 9.497 -21.816 457 1HB PHE 61 2HB PHE 61 -5.696 7.591 -22.864 458 2HB PHE 61 1HB PHE 61 -6.860 8.723 -23.555 459 HD1 PHE 61 HD1 PHE 61 -6.485 9.432 -25.740 460 HD2 PHE 61 HD2 PHE 61 -3.134 8.313 -23.297 461 HE1 PHE 61 HE1 PHE 61 -4.956 9.841 -27.649 462 HE2 PHE 61 HE2 PHE 61 -1.606 8.721 -25.206 463 HZ PHE 61 HZ PHE 61 -2.516 9.486 -27.382 464 H LYS 62 H LYS 62 -7.739 10.849 -22.317 465 HA LYS 62 HA LYS 62 -6.931 12.953 -24.092 466 1HB LYS 62 2HB LYS 62 -9.321 12.098 -23.476 467 2HB LYS 62 1HB LYS 62 -9.203 13.240 -22.136 468 1HG LYS 62 2HG LYS 62 -8.777 15.076 -23.695 469 2HG LYS 62 1HG LYS 62 -8.797 13.953 -25.056 470 1HD LYS 62 2HD LYS 62 -11.163 14.050 -23.214 471 2HD LYS 62 1HD LYS 62 -10.975 15.308 -24.435 472 1HE LYS 62 2HE LYS 62 -11.131 13.788 -26.214 473 2HE LYS 62 1HE LYS 62 -10.705 12.411 -25.198 474 1HZ LYS 62 1HZ LYS 62 -13.187 12.939 -25.901 475 2HZ LYS 62 2HZ LYS 62 -13.119 13.885 -24.491 476 3HZ LYS 62 3HZ LYS 62 -12.802 12.217 -24.416 477 H MET 63 H MET 63 -7.386 12.866 -20.549 478 HA MET 63 HA MET 63 -6.860 15.510 -19.884 479 1HB MET 63 2HB MET 63 -7.212 13.388 -18.371 480 2HB MET 63 1HB MET 63 -5.449 13.337 -18.361 481 1HG MET 63 2HG MET 63 -5.699 14.759 -16.586 482 2HG MET 63 1HG MET 63 -5.835 15.970 -17.860 483 1HE MET 63 1HE MET 63 -8.556 13.147 -16.630 484 2HE MET 63 2HE MET 63 -9.022 14.102 -15.226 485 3HE MET 63 3HE MET 63 -7.334 13.652 -15.456 486 H GLY 64 H GLY 64 -4.474 12.992 -20.687 487 1HA GLY 64 2HA GLY 64 -2.614 14.183 -22.136 488 2HA GLY 64 1HA GLY 64 -2.331 15.052 -20.627 489 H PHE 65 H PHE 65 -3.413 11.925 -20.002 490 HA PHE 65 HA PHE 65 -0.668 11.117 -19.229 491 1HB PHE 65 2HB PHE 65 -3.416 10.030 -18.569 492 2HB PHE 65 1HB PHE 65 -1.927 9.216 -18.089 493 HD1 PHE 65 HD1 PHE 65 -3.284 12.723 -18.096 494 HD2 PHE 65 HD2 PHE 65 -1.187 9.660 -15.935 495 HE1 PHE 65 HE1 PHE 65 -3.082 14.238 -16.143 496 HE2 PHE 65 HE2 PHE 65 -0.985 11.175 -13.981 497 HZ PHE 65 HZ PHE 65 -1.933 13.465 -14.087 498 H GLU 66 H GLU 66 -0.051 8.800 -19.666 499 HA GLU 66 HA GLU 66 -0.953 8.035 -22.407 500 1HB GLU 66 2HB GLU 66 1.633 8.238 -21.172 501 2HB GLU 66 1HB GLU 66 1.352 6.555 -21.622 502 1HG GLU 66 2HG GLU 66 2.322 7.595 -23.546 503 2HG GLU 66 1HG GLU 66 0.602 7.427 -23.900 504 H VAL 67 H VAL 67 -2.750 6.745 -21.873 505 HA VAL 67 HA VAL 67 -2.831 4.838 -19.753 506 HB VAL 67 HB VAL 67 -4.831 5.661 -21.002 507 1HG1 VAL 67 1HG1 VAL 67 -3.790 5.544 -23.262 508 2HG1 VAL 67 2HG1 VAL 67 -5.338 4.701 -23.195 509 3HG1 VAL 67 3HG1 VAL 67 -3.833 3.783 -23.166 510 1HG2 VAL 67 1HG2 VAL 67 -5.777 3.227 -21.375 511 2HG2 VAL 67 2HG2 VAL 67 -5.344 3.758 -19.751 512 3HG2 VAL 67 3HG2 VAL 67 -4.239 2.734 -20.668 513 H LEU 68 H LEU 68 -2.058 2.765 -19.608 514 HA LEU 68 HA LEU 68 -0.649 1.685 -22.014 515 1HB LEU 68 2HB LEU 68 0.233 2.064 -19.341 516 2HB LEU 68 1HB LEU 68 0.071 0.323 -19.577 517 HG LEU 68 HG LEU 68 1.484 2.096 -21.578 518 1HD1 LEU 68 1HD1 LEU 68 3.584 1.116 -20.478 519 2HD1 LEU 68 2HD1 LEU 68 2.547 0.705 -19.113 520 3HD1 LEU 68 3HD1 LEU 68 2.756 2.391 -19.585 521 1HD2 LEU 68 1HD2 LEU 68 0.750 -0.692 -21.415 522 2HD2 LEU 68 2HD2 LEU 68 2.507 -0.547 -21.443 523 3HD2 LEU 68 3HD2 LEU 68 1.543 0.164 -22.737 524 H GLU 69 H GLU 69 -1.135 -0.415 -22.676 525 HA GLU 69 HA GLU 69 -3.654 -1.506 -22.319 526 1HB GLU 69 2HB GLU 69 -1.039 -2.984 -22.747 527 2HB GLU 69 1HB GLU 69 -2.633 -3.716 -22.940 528 1HG GLU 69 2HG GLU 69 -2.050 -1.157 -24.384 529 2HG GLU 69 1HG GLU 69 -1.381 -2.659 -25.023 530 H ALA 70 H ALA 70 -4.414 -3.354 -21.030 531 HA ALA 70 HA ALA 70 -3.246 -3.286 -18.296 532 1HB ALA 70 1HB ALA 70 -5.378 -4.150 -17.537 533 2HB ALA 70 2HB ALA 70 -5.891 -4.461 -19.195 534 3HB ALA 70 3HB ALA 70 -5.695 -2.802 -18.629 535 H GLU 71 H GLU 71 -3.650 -5.562 -17.145 536 HA GLU 71 HA GLU 71 -3.000 -7.790 -18.993 537 1HB GLU 71 2HB GLU 71 -0.835 -6.793 -18.243 538 2HB GLU 71 1HB GLU 71 -1.305 -7.108 -16.572 539 1HG GLU 71 2HG GLU 71 -0.934 -9.355 -16.751 540 2HG GLU 71 1HG GLU 71 -1.514 -9.419 -18.415 541 H GLU 72 H GLU 72 -4.695 -9.118 -18.483 542 HA GLU 72 HA GLU 72 -6.284 -9.297 -16.275 543 1HB GLU 72 2HB GLU 72 -5.068 -11.782 -17.511 544 2HB GLU 72 1HB GLU 72 -6.657 -11.625 -16.763 545 1HG GLU 72 2HG GLU 72 -7.077 -9.802 -18.576 546 2HG GLU 72 1HG GLU 72 -5.707 -10.541 -19.408 547 H THR 73 H THR 73 -5.240 -8.740 -14.320 548 HA THR 73 HA THR 73 -3.192 -10.688 -13.350 549 HB THR 73 HB THR 73 -2.408 -8.355 -13.434 550 HG1 THR 73 HG1 THR 73 -2.675 -8.458 -10.760 551 1HG2 THR 73 1HG2 THR 73 -4.257 -7.502 -11.279 552 2HG2 THR 73 2HG2 THR 73 -4.969 -7.663 -12.885 553 3HG2 THR 73 3HG2 THR 73 -3.600 -6.580 -12.631 554 H GLU 74 H GLU 74 -3.429 -10.032 -10.605 555 HA GLU 74 HA GLU 74 -6.199 -10.337 -9.751 556 1HB GLU 74 2HB GLU 74 -5.817 -12.602 -8.724 557 2HB GLU 74 1HB GLU 74 -5.845 -12.620 -10.488 558 1HG GLU 74 2HG GLU 74 -3.307 -12.388 -10.405 559 2HG GLU 74 1HG GLU 74 -3.424 -12.726 -8.677 560 H ASP 75 H ASP 75 -6.384 -10.058 -7.476 561 HA ASP 75 HA ASP 75 -4.196 -8.670 -6.215 562 1HB ASP 75 2HB ASP 75 -6.546 -8.197 -5.640 563 2HB ASP 75 1HB ASP 75 -6.724 -9.832 -5.001 564 H GLU 76 H GLU 76 -3.564 -11.408 -7.088 565 HA GLU 76 HA GLU 76 -2.413 -13.285 -6.281 566 1HB GLU 76 2HB GLU 76 -1.299 -11.174 -5.061 567 2HB GLU 76 1HB GLU 76 -1.970 -11.972 -3.638 568 1HG GLU 76 2HG GLU 76 -0.876 -14.113 -4.463 569 2HG GLU 76 1HG GLU 76 -0.026 -13.124 -5.651 570 H ASP 77 H ASP 77 -5.249 -12.185 -4.961 571 HA ASP 77 HA ASP 77 -5.437 -14.223 -2.832 572 1HB ASP 77 2HB ASP 77 -6.838 -11.780 -3.538 573 2HB ASP 77 1HB ASP 77 -7.977 -13.102 -3.286 574 H GLY 78 H GLY 78 -6.176 -13.869 -6.185 575 1HA GLY 78 2HA GLY 78 -6.657 -15.930 -7.458 576 2HA GLY 78 1HA GLY 78 -7.624 -16.482 -6.088 577 H ASN 79 H ASN 79 -7.539 -13.411 -7.923 578 HA ASN 79 HA ASN 79 -10.453 -13.811 -8.468 579 1HB ASN 79 2HB ASN 79 -9.284 -11.069 -8.074 580 2HB ASN 79 1HB ASN 79 -10.953 -11.604 -7.872 581 1HD2 ASN 79 1HD2 ASN 79 -10.898 -10.647 -5.656 582 2HD2 ASN 79 2HD2 ASN 79 -10.128 -11.483 -4.395 583 H LYS 80 H LYS 80 -10.777 -11.499 -10.044 584 HA LYS 80 HA LYS 80 -8.718 -11.626 -12.161 585 1HB LYS 80 2HB LYS 80 -10.195 -13.439 -12.816 586 2HB LYS 80 1HB LYS 80 -11.613 -12.415 -12.595 587 1HG LYS 80 2HG LYS 80 -9.728 -11.117 -14.361 588 2HG LYS 80 1HG LYS 80 -10.094 -12.736 -14.956 589 1HD LYS 80 2HD LYS 80 -12.560 -12.161 -14.567 590 2HD LYS 80 1HD LYS 80 -12.031 -10.489 -14.372 591 1HE LYS 80 2HE LYS 80 -11.961 -12.224 -16.819 592 2HE LYS 80 1HE LYS 80 -12.488 -10.549 -16.655 593 1HZ LYS 80 1HZ LYS 80 -9.678 -11.268 -16.157 594 2HZ LYS 80 2HZ LYS 80 -10.336 -9.777 -16.636 595 3HZ LYS 80 3HZ LYS 80 -10.225 -11.057 -17.747 596 H LEU 81 H LEU 81 -8.416 -9.580 -12.907 597 HA LEU 81 HA LEU 81 -10.664 -7.754 -13.298 598 1HB LEU 81 2HB LEU 81 -9.571 -6.000 -11.771 599 2HB LEU 81 1HB LEU 81 -10.439 -7.309 -10.968 600 HG LEU 81 HG LEU 81 -7.660 -8.016 -11.505 601 1HD1 LEU 81 1HD1 LEU 81 -7.143 -5.694 -11.205 602 2HD1 LEU 81 2HD1 LEU 81 -6.795 -6.481 -9.666 603 3HD1 LEU 81 3HD1 LEU 81 -8.278 -5.548 -9.863 604 1HD2 LEU 81 1HD2 LEU 81 -9.047 -9.281 -9.973 605 2HD2 LEU 81 2HD2 LEU 81 -9.414 -7.833 -9.037 606 3HD2 LEU 81 3HD2 LEU 81 -7.781 -8.496 -9.030 607 H LEU 82 H LEU 82 -10.075 -6.022 -14.667 608 HA LEU 82 HA LEU 82 -7.505 -6.379 -16.054 609 1HB LEU 82 2HB LEU 82 -9.879 -4.554 -16.510 610 2HB LEU 82 1HB LEU 82 -8.414 -4.483 -17.490 611 HG LEU 82 HG LEU 82 -8.747 -7.020 -17.841 612 1HD1 LEU 82 1HD1 LEU 82 -11.223 -7.627 -17.702 613 2HD1 LEU 82 2HD1 LEU 82 -11.422 -6.194 -16.696 614 3HD1 LEU 82 3HD1 LEU 82 -10.376 -7.507 -16.161 615 1HD2 LEU 82 1HD2 LEU 82 -9.771 -4.735 -19.185 616 2HD2 LEU 82 2HD2 LEU 82 -11.045 -5.953 -19.221 617 3HD2 LEU 82 3HD2 LEU 82 -9.447 -6.327 -19.870 618 H CYS 83 H CYS 83 -5.754 -4.994 -15.873 619 HA CYS 83 HA CYS 83 -6.125 -2.576 -14.154 620 1HB CYS 83 2HB CYS 83 -4.999 -4.511 -12.961 621 2HB CYS 83 1HB CYS 83 -3.673 -4.350 -14.114 622 HG CYS 83 HG CYS 83 -4.180 -1.658 -12.910 623 H PHE 84 H PHE 84 -5.983 -1.016 -15.761 624 HA PHE 84 HA PHE 84 -3.818 -1.240 -17.769 625 1HB PHE 84 2HB PHE 84 -4.867 0.929 -18.626 626 2HB PHE 84 1HB PHE 84 -5.882 -0.509 -18.716 627 HD1 PHE 84 HD1 PHE 84 -5.671 2.846 -17.557 628 HD2 PHE 84 HD2 PHE 84 -7.426 -0.968 -16.650 629 HE1 PHE 84 HE1 PHE 84 -7.387 3.968 -16.163 630 HE2 PHE 84 HE2 PHE 84 -9.142 0.154 -15.253 631 HZ PHE 84 HZ PHE 84 -9.122 2.624 -15.012 632 H ASP 85 H ASP 85 -2.104 0.270 -17.889 633 HA ASP 85 HA ASP 85 -1.691 1.810 -15.365 634 1HB ASP 85 2HB ASP 85 0.114 0.326 -15.599 635 2HB ASP 85 1HB ASP 85 0.184 0.540 -17.348 636 H ALA 86 H ALA 86 -0.729 3.945 -15.536 637 HA ALA 86 HA ALA 86 -1.141 5.244 -18.198 638 1HB ALA 86 1HB ALA 86 -2.830 5.676 -16.153 639 2HB ALA 86 2HB ALA 86 -2.379 6.959 -17.277 640 3HB ALA 86 3HB ALA 86 -1.578 6.835 -15.710 641 H THR 87 H THR 87 0.315 7.040 -18.607 642 HA THR 87 HA THR 87 2.602 7.207 -16.687 643 HB THR 87 HB THR 87 3.724 7.659 -19.186 644 HG1 THR 87 HG1 THR 87 2.690 6.497 -20.578 645 1HG2 THR 87 1HG2 THR 87 4.900 6.436 -17.533 646 2HG2 THR 87 2HG2 THR 87 4.605 5.267 -18.820 647 3HG2 THR 87 3HG2 THR 87 3.603 5.254 -17.369 648 H MET 88 H MET 88 3.586 9.256 -16.536 649 HA MET 88 HA MET 88 2.679 11.444 -18.279 650 1HB MET 88 2HB MET 88 0.884 11.322 -16.574 651 2HB MET 88 1HB MET 88 2.094 11.477 -15.300 652 1HG MET 88 2HG MET 88 2.754 13.676 -16.158 653 2HG MET 88 1HG MET 88 1.602 13.523 -17.485 654 1HE MET 88 1HE MET 88 0.428 15.726 -16.977 655 2HE MET 88 2HE MET 88 -1.135 15.489 -16.200 656 3HE MET 88 3HE MET 88 -0.616 14.386 -17.471 657 H GLN 89 H GLN 89 4.748 12.100 -18.777 658 HA GLN 89 HA GLN 89 6.922 12.046 -16.869 659 1HB GLN 89 2HB GLN 89 7.101 13.889 -19.191 660 2HB GLN 89 1HB GLN 89 8.241 12.665 -18.635 661 1HG GLN 89 2HG GLN 89 6.355 10.989 -19.403 662 2HG GLN 89 1HG GLN 89 5.839 12.349 -20.402 663 1HE2 GLN 89 1HE2 GLN 89 8.331 9.912 -19.979 664 2HE2 GLN 89 2HE2 GLN 89 9.218 10.304 -21.371 665 H SER 90 H SER 90 6.961 13.404 -15.144 666 HA SER 90 HA SER 90 6.437 16.288 -15.632 667 1HB SER 90 2HB SER 90 4.912 16.506 -13.842 668 2HB SER 90 1HB SER 90 4.388 15.034 -14.656 669 HG SER 90 HG SER 90 5.820 15.355 -12.249 670 H ALA 91 H ALA 91 6.987 17.438 -13.346 671 HA ALA 91 HA ALA 91 9.784 16.895 -12.890 672 1HB ALA 91 1HB ALA 91 8.838 18.461 -10.750 673 2HB ALA 91 2HB ALA 91 7.846 18.916 -12.136 674 3HB ALA 91 3HB ALA 91 9.602 19.043 -12.230 675 H LEU 92 H LEU 92 10.336 16.921 -10.280 676 HA LEU 92 HA LEU 92 8.945 14.492 -9.224 677 1HB LEU 92 2HB LEU 92 11.322 14.119 -9.764 678 2HB LEU 92 1HB LEU 92 11.773 15.463 -8.715 679 HG LEU 92 HG LEU 92 10.615 14.245 -6.821 680 1HD1 LEU 92 1HD1 LEU 92 10.612 11.650 -7.433 681 2HD1 LEU 92 2HD1 LEU 92 10.299 12.277 -9.051 682 3HD1 LEU 92 3HD1 LEU 92 9.197 12.658 -7.728 683 1HD2 LEU 92 1HD2 LEU 92 13.045 14.198 -7.016 684 2HD2 LEU 92 2HD2 LEU 92 12.956 12.910 -8.218 685 3HD2 LEU 92 3HD2 LEU 92 12.483 12.593 -6.548 686 H ASP 93 H ASP 93 7.427 15.350 -7.826 687 HA ASP 93 HA ASP 93 8.421 16.639 -5.400 688 1HB ASP 93 2HB ASP 93 7.229 18.211 -7.571 689 2HB ASP 93 1HB ASP 93 6.401 18.424 -6.029 690 H ALA 94 H ALA 94 6.972 16.338 -3.693 691 HA ALA 94 HA ALA 94 4.911 14.355 -4.058 692 1HB ALA 94 1HB ALA 94 5.404 16.191 -1.693 693 2HB ALA 94 2HB ALA 94 6.177 14.625 -1.938 694 3HB ALA 94 3HB ALA 94 4.436 14.717 -1.676 695 H LYS 95 H LYS 95 4.762 17.846 -3.264 696 HA LYS 95 HA LYS 95 1.965 18.122 -3.183 697 1HB LYS 95 2HB LYS 95 2.870 20.426 -4.497 698 2HB LYS 95 1HB LYS 95 2.713 20.209 -2.753 699 1HG LYS 95 2HG LYS 95 4.999 19.402 -2.593 700 2HG LYS 95 1HG LYS 95 5.171 19.434 -4.349 701 1HD LYS 95 2HD LYS 95 4.388 21.992 -3.908 702 2HD LYS 95 1HD LYS 95 5.244 21.670 -2.401 703 1HE LYS 95 2HE LYS 95 6.842 22.547 -3.997 704 2HE LYS 95 1HE LYS 95 7.188 20.834 -3.761 705 1HZ LYS 95 1HZ LYS 95 7.207 21.099 -6.052 706 2HZ LYS 95 2HZ LYS 95 5.874 22.151 -6.053 707 3HZ LYS 95 3HZ LYS 95 5.651 20.494 -5.753 708 H LEU 96 H LEU 96 4.101 18.458 -6.038 709 HA LEU 96 HA LEU 96 2.012 18.861 -7.932 710 1HB LEU 96 2HB LEU 96 4.863 18.349 -7.980 711 2HB LEU 96 1HB LEU 96 4.053 17.421 -9.242 712 HG LEU 96 HG LEU 96 3.443 20.344 -8.808 713 1HD1 LEU 96 1HD1 LEU 96 5.931 19.886 -9.218 714 2HD1 LEU 96 2HD1 LEU 96 5.135 20.958 -10.371 715 3HD1 LEU 96 3HD1 LEU 96 5.450 19.276 -10.802 716 1HD2 LEU 96 1HD2 LEU 96 3.377 18.810 -11.396 717 2HD2 LEU 96 2HD2 LEU 96 2.427 20.216 -10.914 718 3HD2 LEU 96 3HD2 LEU 96 2.058 18.630 -10.238 719 H ILE 97 H ILE 97 3.421 15.914 -6.575 720 HA ILE 97 HA ILE 97 2.041 14.115 -8.375 721 HB ILE 97 HB ILE 97 3.491 13.809 -5.755 722 1HG1 ILE 97 2HG1 ILE 97 3.879 12.369 -8.388 723 2HG1 ILE 97 1HG1 ILE 97 4.595 13.950 -8.075 724 1HG2 ILE 97 1HG2 ILE 97 1.599 11.881 -7.070 725 2HG2 ILE 97 2HG2 ILE 97 1.843 12.207 -5.354 726 3HG2 ILE 97 3HG2 ILE 97 3.034 11.261 -6.250 727 1HD1 ILE 97 1HD1 ILE 97 6.270 12.976 -6.933 728 2HD1 ILE 97 2HD1 ILE 97 5.567 11.393 -7.264 729 3HD1 ILE 97 3HD1 ILE 97 5.105 12.276 -5.809 730 H ASP 98 H ASP 98 1.128 15.872 -5.535 731 HA ASP 98 HA ASP 98 -1.101 14.131 -4.818 732 1HB ASP 98 2HB ASP 98 -0.131 16.841 -3.963 733 2HB ASP 98 1HB ASP 98 -1.773 16.344 -3.548 734 H GLU 99 H GLU 99 -0.662 17.082 -6.729 735 HA GLU 99 HA GLU 99 -3.473 17.549 -7.175 736 1HB GLU 99 2HB GLU 99 -0.966 18.425 -8.617 737 2HB GLU 99 1HB GLU 99 -2.574 18.883 -9.179 738 1HG GLU 99 2HG GLU 99 -2.681 20.513 -7.634 739 2HG GLU 99 1HG GLU 99 -2.421 19.337 -6.347 740 H GLN 100 H GLN 100 -0.945 15.967 -9.149 741 HA GLN 100 HA GLN 100 -2.662 15.223 -11.303 742 1HB GLN 100 2HB GLN 100 -0.018 14.285 -10.263 743 2HB GLN 100 1HB GLN 100 -0.864 13.255 -11.419 744 1HG GLN 100 2HG GLN 100 0.554 14.738 -12.687 745 2HG GLN 100 1HG GLN 100 -1.109 15.285 -12.908 746 1HE2 GLN 100 1HE2 GLN 100 -1.709 16.857 -10.814 747 2HE2 GLN 100 2HE2 GLN 100 -0.583 18.109 -10.599 748 H VAL 101 H VAL 101 -1.601 13.340 -8.452 749 HA VAL 101 HA VAL 101 -3.225 11.058 -8.980 750 HB VAL 101 HB VAL 101 -2.203 12.202 -6.365 751 1HG1 VAL 101 1HG1 VAL 101 -3.719 9.685 -7.020 752 2HG1 VAL 101 2HG1 VAL 101 -3.956 10.803 -5.676 753 3HG1 VAL 101 3HG1 VAL 101 -2.574 9.709 -5.679 754 1HG2 VAL 101 1HG2 VAL 101 -1.203 9.714 -7.711 755 2HG2 VAL 101 2HG2 VAL 101 -0.341 10.837 -6.659 756 3HG2 VAL 101 3HG2 VAL 101 -0.684 11.281 -8.331 757 H GLU 102 H GLU 102 -3.950 14.188 -7.595 758 HA GLU 102 HA GLU 102 -6.417 13.505 -6.306 759 1HB GLU 102 2HB GLU 102 -5.253 15.661 -5.939 760 2HB GLU 102 1HB GLU 102 -5.603 16.126 -7.605 761 1HG GLU 102 2HG GLU 102 -8.050 15.842 -7.098 762 2HG GLU 102 1HG GLU 102 -7.619 15.588 -5.406 763 H LYS 103 H LYS 103 -5.664 14.579 -9.617 764 HA LYS 103 HA LYS 103 -8.371 14.699 -10.534 765 1HB LYS 103 2HB LYS 103 -5.719 14.298 -11.920 766 2HB LYS 103 1HB LYS 103 -7.234 14.252 -12.822 767 1HG LYS 103 2HG LYS 103 -7.595 16.495 -12.593 768 2HG LYS 103 1HG LYS 103 -6.935 16.534 -10.958 769 1HD LYS 103 2HD LYS 103 -5.510 17.777 -12.582 770 2HD LYS 103 1HD LYS 103 -4.657 16.425 -11.836 771 1HE LYS 103 2HE LYS 103 -4.441 15.330 -13.808 772 2HE LYS 103 1HE LYS 103 -6.106 15.674 -14.276 773 1HZ LYS 103 1HZ LYS 103 -5.439 17.911 -14.886 774 2HZ LYS 103 2HZ LYS 103 -4.531 16.762 -15.747 775 3HZ LYS 103 3HZ LYS 103 -3.837 17.583 -14.433 776 H LEU 104 H LEU 104 -5.957 12.073 -10.597 777 HA LEU 104 HA LEU 104 -7.658 10.165 -11.907 778 1HB LEU 104 2HB LEU 104 -5.364 9.679 -9.979 779 2HB LEU 104 1HB LEU 104 -6.055 8.488 -11.083 780 HG LEU 104 HG LEU 104 -4.937 11.117 -12.063 781 1HD1 LEU 104 1HD1 LEU 104 -3.484 8.459 -11.915 782 2HD1 LEU 104 2HD1 LEU 104 -3.196 9.807 -10.814 783 3HD1 LEU 104 3HD1 LEU 104 -2.842 9.982 -12.533 784 1HD2 LEU 104 1HD2 LEU 104 -4.682 9.660 -14.151 785 2HD2 LEU 104 2HD2 LEU 104 -6.337 10.040 -13.677 786 3HD2 LEU 104 3HD2 LEU 104 -5.658 8.454 -13.310 787 H VAL 105 H VAL 105 -7.353 11.213 -8.576 788 HA VAL 105 HA VAL 105 -8.773 8.975 -7.414 789 HB VAL 105 HB VAL 105 -7.972 11.717 -6.495 790 1HG1 VAL 105 1HG1 VAL 105 -9.085 11.138 -4.287 791 2HG1 VAL 105 2HG1 VAL 105 -9.961 9.873 -5.149 792 3HG1 VAL 105 3HG1 VAL 105 -10.193 11.564 -5.591 793 1HG2 VAL 105 1HG2 VAL 105 -7.595 8.989 -5.234 794 2HG2 VAL 105 2HG2 VAL 105 -6.714 10.472 -4.867 795 3HG2 VAL 105 3HG2 VAL 105 -6.474 9.663 -6.415 796 H ASN 106 H ASN 106 -9.790 12.362 -8.005 797 HA ASN 106 HA ASN 106 -12.546 11.910 -7.426 798 1HB ASN 106 2HB ASN 106 -11.442 13.956 -9.368 799 2HB ASN 106 1HB ASN 106 -12.945 14.056 -8.449 800 1HD2 ASN 106 1HD2 ASN 106 -12.238 13.409 -5.882 801 2HD2 ASN 106 2HD2 ASN 106 -11.035 14.452 -5.295 802 H LEU 107 H LEU 107 -10.880 12.066 -10.598 803 HA LEU 107 HA LEU 107 -13.116 11.493 -12.218 804 1HB LEU 107 2HB LEU 107 -10.905 12.144 -13.116 805 2HB LEU 107 1HB LEU 107 -10.254 10.577 -12.634 806 HG LEU 107 HG LEU 107 -12.584 9.987 -14.092 807 1HD1 LEU 107 1HD1 LEU 107 -10.896 12.080 -15.498 808 2HD1 LEU 107 2HD1 LEU 107 -12.551 12.313 -14.937 809 3HD1 LEU 107 3HD1 LEU 107 -12.212 11.158 -16.226 810 1HD2 LEU 107 1HD2 LEU 107 -10.379 8.770 -14.005 811 2HD2 LEU 107 2HD2 LEU 107 -9.717 9.998 -15.083 812 3HD2 LEU 107 3HD2 LEU 107 -11.024 8.951 -15.636 813 H ALA 108 H ALA 108 -10.847 9.208 -10.674 814 HA ALA 108 HA ALA 108 -12.019 6.828 -11.691 815 1HB ALA 108 1HB ALA 108 -10.384 7.484 -9.259 816 2HB ALA 108 2HB ALA 108 -9.960 6.482 -10.647 817 3HB ALA 108 3HB ALA 108 -11.082 5.873 -9.429 818 H GLU 109 H GLU 109 -12.634 8.485 -8.571 819 HA GLU 109 HA GLU 109 -14.724 6.703 -7.761 820 1HB GLU 109 2HB GLU 109 -14.402 9.622 -7.007 821 2HB GLU 109 1HB GLU 109 -15.277 8.388 -6.099 822 1HG GLU 109 2HG GLU 109 -12.464 7.722 -6.730 823 2HG GLU 109 1HG GLU 109 -12.684 9.067 -5.610 824 H LYS 110 H LYS 110 -14.660 9.352 -10.009 825 HA LYS 110 HA LYS 110 -17.545 9.810 -9.956 826 1HB LYS 110 2HB LYS 110 -15.625 11.423 -10.730 827 2HB LYS 110 1HB LYS 110 -15.775 10.568 -12.266 828 1HG LYS 110 2HG LYS 110 -18.290 11.033 -12.108 829 2HG LYS 110 1HG LYS 110 -17.893 12.162 -10.812 830 1HD LYS 110 2HD LYS 110 -16.474 12.311 -13.466 831 2HD LYS 110 1HD LYS 110 -18.040 13.088 -13.237 832 1HE LYS 110 2HE LYS 110 -17.038 14.200 -11.169 833 2HE LYS 110 1HE LYS 110 -15.471 13.627 -11.737 834 1HZ LYS 110 1HZ LYS 110 -15.867 15.851 -12.523 835 2HZ LYS 110 2HZ LYS 110 -17.344 15.387 -13.222 836 3HZ LYS 110 3HZ LYS 110 -15.881 14.783 -13.840 837 H PHE 111 H PHE 111 -15.354 7.666 -11.600 838 HA PHE 111 HA PHE 111 -17.435 6.901 -13.571 839 1HB PHE 111 2HB PHE 111 -14.497 6.443 -13.278 840 2HB PHE 111 1HB PHE 111 -15.432 5.218 -14.137 841 HD1 PHE 111 HD1 PHE 111 -17.354 6.421 -15.724 842 HD2 PHE 111 HD2 PHE 111 -13.518 8.035 -14.658 843 HE1 PHE 111 HE1 PHE 111 -17.401 7.865 -17.739 844 HE2 PHE 111 HE2 PHE 111 -13.565 9.479 -16.674 845 HZ PHE 111 HZ PHE 111 -15.507 9.394 -18.215 846 H ASP 112 H ASP 112 -15.156 4.924 -11.662 847 HA ASP 112 HA ASP 112 -16.781 3.646 -9.866 848 1HB ASP 112 2HB ASP 112 -17.511 2.899 -12.635 849 2HB ASP 112 1HB ASP 112 -17.296 1.542 -11.529 850 H ILE 113 H ILE 113 -13.987 4.106 -10.587 851 HA ILE 113 HA ILE 113 -13.001 1.290 -10.380 852 HB ILE 113 HB ILE 113 -10.923 2.079 -11.526 853 1HG1 ILE 113 2HG1 ILE 113 -12.550 4.617 -11.640 854 2HG1 ILE 113 1HG1 ILE 113 -10.868 4.408 -11.148 855 1HG2 ILE 113 1HG2 ILE 113 -13.353 2.692 -13.217 856 2HG2 ILE 113 2HG2 ILE 113 -12.953 1.049 -12.711 857 3HG2 ILE 113 3HG2 ILE 113 -11.831 1.958 -13.723 858 1HD1 ILE 113 1HD1 ILE 113 -10.764 5.365 -13.326 859 2HD1 ILE 113 2HD1 ILE 113 -12.018 4.288 -13.941 860 3HD1 ILE 113 3HD1 ILE 113 -10.419 3.653 -13.557 861 H ILE 114 H ILE 114 -10.765 1.255 -9.282 862 HA ILE 114 HA ILE 114 -10.793 3.248 -7.052 863 HB ILE 114 HB ILE 114 -11.106 1.150 -6.047 864 1HG1 ILE 114 2HG1 ILE 114 -8.083 1.319 -6.186 865 2HG1 ILE 114 1HG1 ILE 114 -9.060 2.423 -5.218 866 1HG2 ILE 114 1HG2 ILE 114 -10.732 -0.112 -8.187 867 2HG2 ILE 114 2HG2 ILE 114 -10.016 -0.895 -6.778 868 3HG2 ILE 114 3HG2 ILE 114 -8.997 0.004 -7.901 869 1HD1 ILE 114 1HD1 ILE 114 -9.171 0.894 -3.575 870 2HD1 ILE 114 2HD1 ILE 114 -8.191 -0.211 -4.537 871 3HD1 ILE 114 3HD1 ILE 114 -9.948 -0.240 -4.679 872 H TYR 115 H TYR 115 -8.754 4.105 -6.357 873 HA TYR 115 HA TYR 115 -6.574 3.810 -8.388 874 1HB TYR 115 2HB TYR 115 -7.262 6.050 -8.570 875 2HB TYR 115 1HB TYR 115 -7.572 6.194 -6.839 876 HD1 TYR 115 HD1 TYR 115 -5.840 6.799 -5.306 877 HD2 TYR 115 HD2 TYR 115 -4.894 5.912 -9.401 878 HE1 TYR 115 HE1 TYR 115 -3.541 7.662 -4.962 879 HE2 TYR 115 HE2 TYR 115 -2.594 6.776 -9.057 880 HH TYR 115 HH TYR 115 -1.472 7.783 -5.850 881 H ASP 116 H ASP 116 -5.373 2.211 -7.309 882 HA ASP 116 HA ASP 116 -3.943 3.148 -4.901 883 1HB ASP 116 2HB ASP 116 -6.140 1.627 -4.462 884 2HB ASP 116 1HB ASP 116 -4.940 0.357 -4.701 885 H GLY 117 H GLY 117 -2.128 3.151 -6.372 886 1HA GLY 117 2HA GLY 117 -0.341 1.095 -6.306 887 2HA GLY 117 1HA GLY 117 -1.355 0.636 -7.674 888 H TRP 118 H TRP 118 0.463 3.460 -6.435 889 HA TRP 118 HA TRP 118 1.061 4.142 -9.287 890 1HB TRP 118 2HB TRP 118 0.932 6.403 -8.784 891 2HB TRP 118 1HB TRP 118 -0.269 5.767 -7.661 892 HD1 TRP 118 HD1 TRP 118 0.407 5.600 -5.086 893 HE1 TRP 118 HE1 TRP 118 2.222 6.809 -3.710 894 HE3 TRP 118 HE3 TRP 118 3.330 7.397 -8.868 895 HZ2 TRP 118 HZ2 TRP 118 4.600 8.337 -4.156 896 HZ3 TRP 118 HZ3 TRP 118 5.362 8.724 -8.366 897 HH2 TRP 118 HH2 TRP 118 6.000 9.195 -6.017 898 H GLY 119 H GLY 119 3.242 5.067 -9.649 899 1HA GLY 119 2HA GLY 119 5.266 4.881 -7.582 900 2HA GLY 119 1HA GLY 119 5.344 3.510 -8.691 901 H THR 120 H THR 120 7.513 5.161 -8.635 902 HA THR 120 HA THR 120 7.309 6.518 -11.281 903 HB THR 120 HB THR 120 7.205 8.297 -9.608 904 HG1 THR 120 HG1 THR 120 8.442 9.204 -11.030 905 1HG2 THR 120 1HG2 THR 120 9.891 7.492 -8.541 906 2HG2 THR 120 2HG2 THR 120 8.438 6.724 -7.900 907 3HG2 THR 120 3HG2 THR 120 8.636 8.472 -7.781 908 H TYR 121 H TYR 121 9.084 6.144 -12.591 909 HA TYR 121 HA TYR 121 11.063 4.198 -11.582 910 1HB TYR 121 2HB TYR 121 10.065 5.070 -14.227 911 2HB TYR 121 1HB TYR 121 11.780 4.665 -14.171 912 HD1 TYR 121 HD1 TYR 121 8.402 3.380 -13.221 913 HD2 TYR 121 HD2 TYR 121 12.482 2.415 -14.153 914 HE1 TYR 121 HE1 TYR 121 7.832 0.967 -13.214 915 HE2 TYR 121 HE2 TYR 121 11.913 0.001 -14.147 916 HH TYR 121 HH TYR 121 9.533 -1.327 -14.584 917 H TYR 122 H TYR 122 13.331 4.591 -11.618 918 HA TYR 122 HA TYR 122 14.045 7.493 -11.675 919 1HB TYR 122 2HB TYR 122 14.465 6.616 -9.494 920 2HB TYR 122 1HB TYR 122 15.201 5.152 -10.147 921 HD1 TYR 122 HD1 TYR 122 15.610 8.878 -10.161 922 HD2 TYR 122 HD2 TYR 122 17.527 5.041 -10.404 923 HE1 TYR 122 HE1 TYR 122 17.829 9.985 -10.147 924 HE2 TYR 122 HE2 TYR 122 19.746 6.149 -10.391 925 HH TYR 122 HH TYR 122 20.724 8.291 -9.633 926 H GLU 123 H GLU 123 16.344 7.912 -12.405 927 HA GLU 123 HA GLU 123 16.798 6.558 -14.948 928 1HB GLU 123 2HB GLU 123 18.350 8.701 -13.469 929 2HB GLU 123 1HB GLU 123 18.786 8.104 -15.070 930 1HG GLU 123 2HG GLU 123 16.269 8.642 -15.635 931 2HG GLU 123 1HG GLU 123 16.392 9.712 -14.238 932 H GLY 124 H GLY 124 19.453 6.236 -15.249 933 1HA GLY 124 2HA GLY 124 21.404 5.117 -14.387 934 2HA GLY 124 1HA GLY 124 20.474 4.649 -12.962 935 H LEU 125 H LEU 125 21.412 2.462 -13.470 936 HA LEU 125 HA LEU 125 21.113 0.275 -14.272 937 1HB LEU 125 2HB LEU 125 18.455 1.244 -15.345 938 2HB LEU 125 1HB LEU 125 18.887 -0.388 -14.834 939 HG LEU 125 HG LEU 125 18.997 1.922 -12.897 940 1HD1 LEU 125 1HD1 LEU 125 16.610 0.262 -13.729 941 2HD1 LEU 125 2HD1 LEU 125 16.738 2.020 -13.660 942 3HD1 LEU 125 3HD1 LEU 125 16.694 1.081 -12.169 943 1HD2 LEU 125 1HD2 LEU 125 19.661 -0.816 -12.798 944 2HD2 LEU 125 2HD2 LEU 125 18.144 -0.669 -11.910 945 3HD2 LEU 125 3HD2 LEU 125 19.542 0.294 -11.432 946 H GLU 126 H GLU 126 22.777 1.487 -15.871 947 HA GLU 126 HA GLU 126 23.623 1.430 -18.062 948 1HB GLU 126 2HB GLU 126 21.663 -0.624 -17.974 949 2HB GLU 126 1HB GLU 126 21.395 0.265 -19.474 950 1HG GLU 126 2HG GLU 126 23.008 -1.465 -19.945 951 2HG GLU 126 1HG GLU 126 23.876 0.071 -19.926 952 H HIS 127 H HIS 127 23.195 3.799 -17.885 953 HA HIS 127 HA HIS 127 21.494 4.680 -20.108 954 1HB HIS 127 2HB HIS 127 20.082 4.532 -17.911 955 2HB HIS 127 1HB HIS 127 20.973 5.980 -17.444 956 HD2 HIS 127 HD2 HIS 127 19.493 8.179 -18.183 957 HE1 HIS 127 HE1 HIS 127 17.851 6.648 -21.761 958 HE2 HIS 127 HE2 HIS 127 17.964 8.673 -20.238 959 H HIS 128 H HIS 128 23.479 5.469 -20.970 960 HA HIS 128 HA HIS 128 24.743 7.688 -19.412 961 1HB HIS 128 2HB HIS 128 25.942 6.204 -21.766 962 2HB HIS 128 1HB HIS 128 26.771 7.272 -20.633 963 HD2 HIS 128 HD2 HIS 128 28.420 5.164 -19.633 964 HE1 HIS 128 HE1 HIS 128 25.259 2.917 -17.961 965 HE2 HIS 128 HE2 HIS 128 27.782 3.156 -18.096 966 H HIS 129 H HIS 129 24.445 9.717 -20.204 967 HA HIS 129 HA HIS 129 23.124 10.018 -22.834 968 1HB HIS 129 2HB HIS 129 22.270 11.252 -20.837 969 2HB HIS 129 1HB HIS 129 23.801 12.123 -20.759 970 HD2 HIS 129 HD2 HIS 129 20.653 11.906 -23.148 971 HE1 HIS 129 HE1 HIS 129 22.916 15.313 -24.205 972 HE2 HIS 129 HE2 HIS 129 20.761 14.047 -24.635 973 H HIS 130 H HIS 130 23.993 12.367 -23.806 974 HA HIS 130 HA HIS 130 26.486 11.759 -25.030 975 1HB HIS 130 2HB HIS 130 24.537 13.624 -25.464 976 2HB HIS 130 1HB HIS 130 25.819 14.630 -24.793 977 HD2 HIS 130 HD2 HIS 130 27.875 15.189 -26.580 978 HE1 HIS 130 HE1 HIS 130 26.802 12.400 -29.565 979 HE2 HIS 130 HE2 HIS 130 28.380 14.299 -28.980 980 H HIS 131 H HIS 131 28.495 13.158 -24.818 981 HA HIS 131 HA HIS 131 29.628 12.976 -22.258 982 1HB HIS 131 2HB HIS 131 30.372 14.099 -24.806 983 2HB HIS 131 1HB HIS 131 30.839 15.214 -23.522 984 HD2 HIS 131 HD2 HIS 131 33.361 14.559 -22.635 985 HE1 HIS 131 HE1 HIS 131 33.152 10.378 -23.192 986 HE2 HIS 131 HE2 HIS 131 34.624 12.288 -22.408 987 H HIS 132 HN HIS 132 29.308 16.231 -23.608 988 HA HIS 132 HA HIS 132 28.759 17.313 -20.962 989 1HB HIS 132 2HB HIS 132 28.495 18.760 -23.607 990 2HB HIS 132 1HB HIS 132 28.819 19.461 -22.022 991 HD2 HIS 132 HD2 HIS 132 31.366 17.743 -21.022 992 HE1 HIS 132 HE1 HIS 132 33.101 18.574 -24.782 993 HE2 HIS 132 HE2 HIS 132 33.571 17.800 -22.412 Start of MODEL 19 1 1H MET 1 1H MET 1 -26.571 10.355 3.253 2 2H MET 1 2H MET 1 -25.032 11.028 3.006 3 3H MET 1 3H MET 1 -26.022 11.602 4.262 4 HA MET 1 HA MET 1 -25.939 9.262 5.196 5 1HB MET 1 2HB MET 1 -24.894 8.510 2.913 6 2HB MET 1 1HB MET 1 -23.384 9.091 3.617 7 1HG MET 1 2HG MET 1 -23.281 6.974 4.470 8 2HG MET 1 1HG MET 1 -24.353 7.643 5.699 9 1HE MET 1 1HE MET 1 -26.238 5.357 6.252 10 2HE MET 1 2HE MET 1 -24.486 5.311 6.071 11 3HE MET 1 3HE MET 1 -25.483 4.128 5.228 12 H SER 2 H SER 2 -23.190 11.321 4.157 13 HA SER 2 HA SER 2 -22.174 11.327 6.931 14 1HB SER 2 2HB SER 2 -20.691 13.137 5.349 15 2HB SER 2 1HB SER 2 -20.218 11.511 5.833 16 HG SER 2 HG SER 2 -21.923 12.014 3.631 17 H HIS 3 H HIS 3 -21.156 13.879 7.174 18 HA HIS 3 HA HIS 3 -23.475 15.713 6.822 19 1HB HIS 3 2HB HIS 3 -23.015 14.485 9.233 20 2HB HIS 3 1HB HIS 3 -22.082 15.972 9.411 21 HD2 HIS 3 HD2 HIS 3 -25.785 14.833 9.402 22 HE1 HIS 3 HE1 HIS 3 -25.800 19.055 9.448 23 HE2 HIS 3 HE2 HIS 3 -27.236 16.980 9.693 24 H GLN 4 H GLN 4 -22.707 17.526 5.855 25 HA GLN 4 HA GLN 4 -21.144 19.103 5.069 26 1HB GLN 4 2HB GLN 4 -21.557 19.841 7.434 27 2HB GLN 4 1HB GLN 4 -20.149 18.900 7.925 28 1HG GLN 4 2HG GLN 4 -18.656 20.332 6.894 29 2HG GLN 4 1HG GLN 4 -19.823 20.838 5.672 30 1HE2 GLN 4 1HE2 GLN 4 -18.477 22.897 6.893 31 2HE2 GLN 4 2HE2 GLN 4 -19.472 23.697 8.012 32 H ASP 5 H ASP 5 -20.390 16.166 5.049 33 HA ASP 5 HA ASP 5 -17.531 16.610 4.441 34 1HB ASP 5 2HB ASP 5 -18.433 15.282 6.831 35 2HB ASP 5 1HB ASP 5 -17.634 14.108 5.784 36 H ASP 6 H ASP 6 -17.593 15.992 2.324 37 HA ASP 6 HA ASP 6 -19.400 14.269 1.072 38 1HB ASP 6 2HB ASP 6 -16.504 14.257 0.251 39 2HB ASP 6 1HB ASP 6 -17.946 14.260 -0.766 40 H TYR 7 H TYR 7 -19.816 12.453 2.441 41 HA TYR 7 HA TYR 7 -19.336 10.377 3.487 42 1HB TYR 7 2HB TYR 7 -18.035 8.932 1.638 43 2HB TYR 7 1HB TYR 7 -19.738 9.359 1.460 44 HD1 TYR 7 HD1 TYR 7 -20.425 11.223 -0.014 45 HD2 TYR 7 HD2 TYR 7 -16.325 9.974 0.279 46 HE1 TYR 7 HE1 TYR 7 -19.893 12.483 -2.083 47 HE2 TYR 7 HE2 TYR 7 -15.794 11.233 -1.790 48 HH TYR 7 HH TYR 7 -18.335 12.798 -3.692 49 H LEU 8 H LEU 8 -17.166 8.630 3.142 50 HA LEU 8 HA LEU 8 -14.806 10.250 3.979 51 1HB LEU 8 2HB LEU 8 -16.307 8.236 5.554 52 2HB LEU 8 1HB LEU 8 -14.551 8.078 5.591 53 HG LEU 8 HG LEU 8 -15.901 10.738 6.039 54 1HD1 LEU 8 1HD1 LEU 8 -16.827 9.252 7.723 55 2HD1 LEU 8 2HD1 LEU 8 -15.606 10.270 8.487 56 3HD1 LEU 8 3HD1 LEU 8 -15.228 8.597 8.077 57 1HD2 LEU 8 1HD2 LEU 8 -13.209 9.805 5.838 58 2HD2 LEU 8 2HD2 LEU 8 -13.483 10.289 7.511 59 3HD2 LEU 8 3HD2 LEU 8 -13.766 11.437 6.205 60 H SER 9 H SER 9 -13.584 9.789 2.153 61 HA SER 9 HA SER 9 -12.393 7.152 1.978 62 1HB SER 9 2HB SER 9 -13.173 6.987 -0.533 63 2HB SER 9 1HB SER 9 -14.218 6.383 0.750 64 HG SER 9 HG SER 9 -14.980 8.018 -0.988 65 H VAL 10 H VAL 10 -12.956 9.131 -0.872 66 HA VAL 10 HA VAL 10 -10.357 9.419 -1.718 67 HB VAL 10 HB VAL 10 -11.030 11.317 -2.963 68 1HG1 VAL 10 1HG1 VAL 10 -12.757 9.123 -2.682 69 2HG1 VAL 10 2HG1 VAL 10 -12.732 10.275 -4.018 70 3HG1 VAL 10 3HG1 VAL 10 -13.813 10.535 -2.650 71 1HG2 VAL 10 1HG2 VAL 10 -12.929 11.821 -0.657 72 2HG2 VAL 10 2HG2 VAL 10 -13.054 12.674 -2.195 73 3HG2 VAL 10 3HG2 VAL 10 -11.603 12.846 -1.206 74 H GLU 11 H GLU 11 -11.799 10.911 1.078 75 HA GLU 11 HA GLU 11 -9.795 12.969 1.441 76 1HB GLU 11 2HB GLU 11 -12.079 12.987 2.499 77 2HB GLU 11 1HB GLU 11 -11.547 11.673 3.551 78 1HG GLU 11 2HG GLU 11 -9.729 13.088 4.418 79 2HG GLU 11 1HG GLU 11 -10.237 14.403 3.358 80 H GLU 12 H GLU 12 -10.324 9.813 3.057 81 HA GLU 12 HA GLU 12 -7.889 9.890 4.556 82 1HB GLU 12 2HB GLU 12 -8.669 7.189 3.819 83 2HB GLU 12 1HB GLU 12 -8.690 7.961 5.405 84 1HG GLU 12 2HG GLU 12 -10.836 9.067 4.811 85 2HG GLU 12 1HG GLU 12 -10.826 8.213 3.267 86 H LEU 13 H LEU 13 -8.638 7.989 1.608 87 HA LEU 13 HA LEU 13 -6.109 6.975 1.071 88 1HB LEU 13 2HB LEU 13 -7.774 8.156 -1.148 89 2HB LEU 13 1HB LEU 13 -6.800 6.686 -1.165 90 HG LEU 13 HG LEU 13 -9.435 7.149 0.245 91 1HD1 LEU 13 1HD1 LEU 13 -8.711 4.790 -1.460 92 2HD1 LEU 13 2HD1 LEU 13 -9.088 6.324 -2.244 93 3HD1 LEU 13 3HD1 LEU 13 -10.284 5.546 -1.209 94 1HD2 LEU 13 1HD2 LEU 13 -8.123 6.002 1.873 95 2HD2 LEU 13 2HD2 LEU 13 -7.347 4.998 0.649 96 3HD2 LEU 13 3HD2 LEU 13 -9.045 4.743 1.052 97 H ILE 14 H ILE 14 -7.328 10.201 0.135 98 HA ILE 14 HA ILE 14 -5.011 11.076 -1.240 99 HB ILE 14 HB ILE 14 -7.127 12.544 0.332 100 1HG1 ILE 14 2HG1 ILE 14 -6.459 12.639 -2.619 101 2HG1 ILE 14 1HG1 ILE 14 -7.543 11.423 -1.942 102 1HG2 ILE 14 1HG2 ILE 14 -5.359 14.059 0.573 103 2HG2 ILE 14 2HG2 ILE 14 -6.078 14.576 -0.951 104 3HG2 ILE 14 3HG2 ILE 14 -4.617 13.588 -0.955 105 1HD1 ILE 14 1HD1 ILE 14 -9.169 12.969 -2.287 106 2HD1 ILE 14 2HD1 ILE 14 -8.010 14.291 -2.422 107 3HD1 ILE 14 3HD1 ILE 14 -8.534 13.737 -0.833 108 H GLU 15 H GLU 15 -5.867 12.146 2.070 109 HA GLU 15 HA GLU 15 -3.416 13.192 2.823 110 1HB GLU 15 2HB GLU 15 -5.443 11.631 4.430 111 2HB GLU 15 1HB GLU 15 -4.009 12.335 5.180 112 1HG GLU 15 2HG GLU 15 -5.009 14.349 5.241 113 2HG GLU 15 1HG GLU 15 -5.205 14.316 3.488 114 H ILE 16 H ILE 16 -4.351 9.758 2.882 115 HA ILE 16 HA ILE 16 -1.976 8.769 4.106 116 HB ILE 16 HB ILE 16 -3.962 7.542 2.189 117 1HG1 ILE 16 2HG1 ILE 16 -3.375 6.624 4.983 118 2HG1 ILE 16 1HG1 ILE 16 -4.304 8.107 4.759 119 1HG2 ILE 16 1HG2 ILE 16 -2.198 6.165 1.648 120 2HG2 ILE 16 2HG2 ILE 16 -2.688 5.384 3.152 121 3HG2 ILE 16 3HG2 ILE 16 -1.332 6.512 3.144 122 1HD1 ILE 16 1HD1 ILE 16 -5.733 6.047 4.930 123 2HD1 ILE 16 2HD1 ILE 16 -4.989 5.465 3.440 124 3HD1 ILE 16 3HD1 ILE 16 -5.959 6.938 3.424 125 H GLN 17 H GLN 17 -2.765 9.314 0.669 126 HA GLN 17 HA GLN 17 -0.193 8.354 -0.267 127 1HB GLN 17 2HB GLN 17 -2.370 8.531 -1.615 128 2HB GLN 17 1HB GLN 17 -2.019 10.254 -1.746 129 1HG GLN 17 2HG GLN 17 -1.042 9.344 -3.691 130 2HG GLN 17 1HG GLN 17 0.319 9.502 -2.580 131 1HE2 GLN 17 1HE2 GLN 17 -2.158 7.084 -3.596 132 2HE2 GLN 17 2HE2 GLN 17 -1.145 5.739 -3.379 133 H LYS 18 H LYS 18 -1.212 11.248 1.230 134 HA LYS 18 HA LYS 18 0.742 12.997 -0.057 135 1HB LYS 18 2HB LYS 18 -1.379 13.247 1.945 136 2HB LYS 18 1HB LYS 18 0.059 14.178 2.366 137 1HG LYS 18 2HG LYS 18 -0.076 15.507 0.457 138 2HG LYS 18 1HG LYS 18 -0.991 14.298 -0.444 139 1HD LYS 18 2HD LYS 18 -2.889 14.693 1.223 140 2HD LYS 18 1HD LYS 18 -1.985 16.108 1.765 141 1HE LYS 18 2HE LYS 18 -2.105 17.123 -0.406 142 2HE LYS 18 1HE LYS 18 -2.721 15.640 -1.133 143 1HZ LYS 18 1HZ LYS 18 -4.495 17.233 -0.738 144 2HZ LYS 18 2HZ LYS 18 -4.119 17.273 0.918 145 3HZ LYS 18 3HZ LYS 18 -4.715 15.846 0.213 146 H GLU 19 H GLU 19 0.527 11.236 3.035 147 HA GLU 19 HA GLU 19 3.106 12.197 3.968 148 1HB GLU 19 2HB GLU 19 1.365 11.419 5.540 149 2HB GLU 19 1HB GLU 19 1.474 9.797 4.856 150 1HG GLU 19 2HG GLU 19 3.468 9.347 5.887 151 2HG GLU 19 1HG GLU 19 4.034 11.012 5.750 152 H GLU 20 H GLU 20 1.961 9.181 2.448 153 HA GLU 20 HA GLU 20 4.447 7.793 2.533 154 1HB GLU 20 2HB GLU 20 2.377 6.635 1.967 155 2HB GLU 20 1HB GLU 20 2.184 7.624 0.519 156 1HG GLU 20 2HG GLU 20 3.184 5.303 0.149 157 2HG GLU 20 1HG GLU 20 4.105 6.652 -0.518 158 H THR 21 H THR 21 3.024 9.747 -0.112 159 HA THR 21 HA THR 21 5.184 9.561 -1.915 160 HB THR 21 HB THR 21 3.471 12.019 -1.457 161 HG1 THR 21 HG1 THR 21 1.892 10.859 -2.160 162 1HG2 THR 21 1HG2 THR 21 5.598 11.575 -3.192 163 2HG2 THR 21 2HG2 THR 21 4.353 12.812 -3.377 164 3HG2 THR 21 3HG2 THR 21 4.176 11.255 -4.186 165 H ARG 22 H ARG 22 4.579 12.267 0.363 166 HA ARG 22 HA ARG 22 6.858 13.758 0.051 167 1HB ARG 22 2HB ARG 22 5.152 14.270 1.754 168 2HB ARG 22 1HB ARG 22 5.703 12.903 2.724 169 1HG ARG 22 2HG ARG 22 7.261 14.217 3.671 170 2HG ARG 22 1HG ARG 22 7.998 14.466 2.088 171 1HD ARG 22 2HD ARG 22 7.365 16.616 3.149 172 2HD ARG 22 1HD ARG 22 6.476 16.343 1.651 173 HE ARG 22 HE ARG 22 4.807 15.308 3.604 174 1HH1 ARG 22 1HH2 ARG 22 6.467 18.281 3.055 175 2HH1 ARG 22 2HH2 ARG 22 5.272 19.249 3.851 176 1HH2 ARG 22 2HH1 ARG 22 3.236 16.557 4.646 177 2HH2 ARG 22 1HH1 ARG 22 3.443 18.273 4.751 178 H ASP 23 H ASP 23 6.676 10.814 2.080 179 HA ASP 23 HA ASP 23 9.375 10.747 2.899 180 1HB ASP 23 2HB ASP 23 7.273 9.155 3.385 181 2HB ASP 23 1HB ASP 23 8.079 8.161 2.171 182 H ILE 24 H ILE 24 7.893 9.431 -0.065 183 HA ILE 24 HA ILE 24 10.298 8.258 -1.090 184 HB ILE 24 HB ILE 24 7.950 9.357 -2.663 185 1HG1 ILE 24 2HG1 ILE 24 8.384 6.569 -1.545 186 2HG1 ILE 24 1HG1 ILE 24 7.305 7.767 -0.831 187 1HG2 ILE 24 1HG2 ILE 24 10.392 7.897 -3.340 188 2HG2 ILE 24 2HG2 ILE 24 9.240 8.705 -4.404 189 3HG2 ILE 24 3HG2 ILE 24 8.936 7.052 -3.868 190 1HD1 ILE 24 1HD1 ILE 24 5.687 7.287 -2.321 191 2HD1 ILE 24 2HD1 ILE 24 6.682 5.946 -2.886 192 3HD1 ILE 24 3HD1 ILE 24 6.796 7.521 -3.672 193 H ILE 25 H ILE 25 8.676 11.250 -2.221 194 HA ILE 25 HA ILE 25 10.638 12.267 -3.869 195 HB ILE 25 HB ILE 25 9.327 14.076 -1.843 196 1HG1 ILE 25 2HG1 ILE 25 7.538 12.604 -2.457 197 2HG1 ILE 25 1HG1 ILE 25 7.351 14.042 -3.459 198 1HG2 ILE 25 1HG2 ILE 25 10.640 15.311 -3.352 199 2HG2 ILE 25 2HG2 ILE 25 9.036 15.376 -4.082 200 3HG2 ILE 25 3HG2 ILE 25 10.243 14.254 -4.708 201 1HD1 ILE 25 1HD1 ILE 25 7.090 12.104 -4.885 202 2HD1 ILE 25 2HD1 ILE 25 8.590 11.401 -4.280 203 3HD1 ILE 25 3HD1 ILE 25 8.636 12.860 -5.272 204 H GLN 26 H GLN 26 10.532 12.747 -0.319 205 HA GLN 26 HA GLN 26 12.955 14.201 -0.102 206 1HB GLN 26 2HB GLN 26 11.687 12.248 1.843 207 2HB GLN 26 1HB GLN 26 13.012 13.340 2.249 208 1HG GLN 26 2HG GLN 26 10.742 14.669 0.928 209 2HG GLN 26 1HG GLN 26 10.342 13.960 2.493 210 1HE2 GLN 26 1HE2 GLN 26 10.894 16.883 1.541 211 2HE2 GLN 26 2HE2 GLN 26 12.003 17.461 2.689 212 H ALA 27 H ALA 27 12.464 10.684 0.395 213 HA ALA 27 HA ALA 27 15.101 9.887 0.749 214 1HB ALA 27 1HB ALA 27 14.466 7.721 -0.073 215 2HB ALA 27 2HB ALA 27 13.171 8.406 -1.055 216 3HB ALA 27 3HB ALA 27 13.038 8.403 0.704 217 H LEU 28 H LEU 28 13.461 10.273 -2.417 218 HA LEU 28 HA LEU 28 15.643 9.650 -4.072 219 1HB LEU 28 2HB LEU 28 13.212 11.343 -4.345 220 2HB LEU 28 1HB LEU 28 14.505 11.633 -5.510 221 HG LEU 28 HG LEU 28 14.534 9.254 -6.107 222 1HD1 LEU 28 1HD1 LEU 28 12.564 7.871 -5.173 223 2HD1 LEU 28 2HD1 LEU 28 12.463 9.101 -3.914 224 3HD1 LEU 28 3HD1 LEU 28 13.934 8.146 -4.099 225 1HD2 LEU 28 1HD2 LEU 28 11.807 10.577 -6.137 226 2HD2 LEU 28 2HD2 LEU 28 12.186 9.118 -7.051 227 3HD2 LEU 28 3HD2 LEU 28 13.031 10.625 -7.406 228 H LEU 29 H LEU 29 14.684 12.975 -3.119 229 HA LEU 29 HA LEU 29 16.866 14.387 -4.058 230 1HB LEU 29 2HB LEU 29 15.042 14.695 -1.749 231 2HB LEU 29 1HB LEU 29 16.568 15.568 -1.611 232 HG LEU 29 HG LEU 29 14.980 15.706 -4.162 233 1HD1 LEU 29 1HD1 LEU 29 13.433 16.287 -2.310 234 2HD1 LEU 29 2HD1 LEU 29 13.831 17.696 -3.294 235 3HD1 LEU 29 3HD1 LEU 29 14.601 17.471 -1.723 236 1HD2 LEU 29 1HD2 LEU 29 16.144 17.849 -4.363 237 2HD2 LEU 29 2HD2 LEU 29 17.317 16.575 -4.033 238 3HD2 LEU 29 3HD2 LEU 29 16.814 17.664 -2.742 239 H GLU 30 H GLU 30 16.717 12.677 -0.918 240 HA GLU 30 HA GLU 30 19.377 13.230 -0.100 241 1HB GLU 30 2HB GLU 30 17.274 11.827 0.966 242 2HB GLU 30 1HB GLU 30 18.389 10.524 0.548 243 1HG GLU 30 2HG GLU 30 20.162 12.172 1.666 244 2HG GLU 30 1HG GLU 30 18.726 12.752 2.512 245 H ASP 31 H ASP 31 18.127 11.051 -2.507 246 HA ASP 31 HA ASP 31 20.586 9.467 -2.679 247 1HB ASP 31 2HB ASP 31 18.340 9.641 -4.706 248 2HB ASP 31 1HB ASP 31 19.510 8.336 -4.514 249 H GLY 32 H GLY 32 19.527 12.503 -3.803 250 1HA GLY 32 2HA GLY 32 20.971 14.065 -4.921 251 2HA GLY 32 1HA GLY 32 21.942 12.713 -5.505 252 H SER 33 H SER 33 18.592 12.192 -5.844 253 HA SER 33 HA SER 33 18.724 12.031 -8.692 254 1HB SER 33 2HB SER 33 16.994 10.800 -7.608 255 2HB SER 33 1HB SER 33 16.409 12.227 -6.758 256 HG SER 33 HG SER 33 15.394 11.370 -8.887 257 H ASP 34 H ASP 34 19.675 14.093 -9.316 258 HA ASP 34 HA ASP 34 18.728 16.648 -8.717 259 1HB ASP 34 2HB ASP 34 19.403 16.154 -11.571 260 2HB ASP 34 1HB ASP 34 20.032 17.372 -10.460 261 HA PRO 35 HA PRO 35 14.587 16.459 -10.399 262 1HB PRO 35 2HB PRO 35 13.979 19.117 -10.180 263 2HB PRO 35 1HB PRO 35 13.989 18.005 -8.798 264 1HG PRO 35 2HG PRO 35 16.038 19.984 -9.649 265 2HG PRO 35 1HG PRO 35 15.499 19.542 -8.019 266 1HD PRO 35 2HD PRO 35 17.830 18.614 -9.132 267 2HD PRO 35 1HD PRO 35 16.912 17.720 -7.901 268 H ASP 36 H ASP 36 17.245 17.904 -11.869 269 HA ASP 36 HA ASP 36 15.781 19.175 -14.074 270 1HB ASP 36 2HB ASP 36 18.731 18.589 -13.681 271 2HB ASP 36 1HB ASP 36 18.064 19.502 -15.033 272 H ALA 37 H ALA 37 16.523 16.018 -13.246 273 HA ALA 37 HA ALA 37 16.974 15.109 -16.026 274 1HB ALA 37 1HB ALA 37 18.256 13.761 -14.659 275 2HB ALA 37 2HB ALA 37 16.772 12.808 -14.683 276 3HB ALA 37 3HB ALA 37 17.120 13.866 -13.315 277 H LEU 38 H LEU 38 14.332 16.144 -14.494 278 HA LEU 38 HA LEU 38 12.034 15.696 -14.696 279 1HB LEU 38 2HB LEU 38 13.145 15.500 -17.198 280 2HB LEU 38 1HB LEU 38 12.376 13.921 -17.032 281 HG LEU 38 HG LEU 38 10.367 15.418 -16.100 282 1HD1 LEU 38 1HD1 LEU 38 10.273 17.589 -16.923 283 2HD1 LEU 38 2HD1 LEU 38 11.402 17.251 -18.235 284 3HD1 LEU 38 3HD1 LEU 38 11.998 17.447 -16.587 285 1HD2 LEU 38 1HD2 LEU 38 10.105 13.914 -17.963 286 2HD2 LEU 38 2HD2 LEU 38 11.114 14.927 -18.995 287 3HD2 LEU 38 3HD2 LEU 38 9.520 15.491 -18.493 288 H TYR 39 H TYR 39 10.435 13.953 -14.416 289 HA TYR 39 HA TYR 39 11.647 11.286 -13.851 290 1HB TYR 39 2HB TYR 39 10.513 13.161 -11.931 291 2HB TYR 39 1HB TYR 39 9.659 11.619 -11.911 292 HD1 TYR 39 HD1 TYR 39 13.200 12.854 -12.195 293 HD2 TYR 39 HD2 TYR 39 10.498 9.987 -10.482 294 HE1 TYR 39 HE1 TYR 39 15.081 11.826 -10.951 295 HE2 TYR 39 HE2 TYR 39 12.381 8.959 -9.237 296 HH TYR 39 HH TYR 39 15.700 9.881 -9.837 297 H GLU 40 H GLU 40 10.294 9.554 -14.332 298 HA GLU 40 HA GLU 40 7.772 10.253 -15.743 299 1HB GLU 40 2HB GLU 40 9.085 8.874 -17.130 300 2HB GLU 40 1HB GLU 40 9.610 7.863 -15.784 301 1HG GLU 40 2HG GLU 40 7.573 6.717 -15.676 302 2HG GLU 40 1HG GLU 40 6.692 8.007 -16.496 303 H ILE 41 H ILE 41 5.958 10.108 -14.526 304 HA ILE 41 HA ILE 41 5.939 8.265 -12.190 305 HB ILE 41 HB ILE 41 3.662 10.105 -12.784 306 1HG1 ILE 41 2HG1 ILE 41 5.690 11.449 -13.307 307 2HG1 ILE 41 1HG1 ILE 41 4.881 12.023 -11.850 308 1HG2 ILE 41 1HG2 ILE 41 3.914 10.425 -10.277 309 2HG2 ILE 41 2HG2 ILE 41 5.186 9.205 -10.326 310 3HG2 ILE 41 3HG2 ILE 41 3.537 8.779 -10.783 311 1HD1 ILE 41 1HD1 ILE 41 7.426 11.778 -11.704 312 2HD1 ILE 41 2HD1 ILE 41 7.156 10.036 -11.750 313 3HD1 ILE 41 3HD1 ILE 41 6.494 10.995 -10.426 314 H GLU 42 H GLU 42 4.490 6.547 -12.076 315 HA GLU 42 HA GLU 42 2.672 6.190 -14.422 316 1HB GLU 42 2HB GLU 42 3.322 3.975 -14.708 317 2HB GLU 42 1HB GLU 42 4.851 4.704 -14.220 318 1HG GLU 42 2HG GLU 42 3.999 4.136 -11.789 319 2HG GLU 42 1HG GLU 42 2.996 2.959 -12.637 320 H HIS 43 H HIS 43 0.640 5.253 -13.941 321 HA HIS 43 HA HIS 43 0.092 4.828 -11.031 322 1HB HIS 43 2HB HIS 43 -1.922 5.976 -12.969 323 2HB HIS 43 1HB HIS 43 -1.975 5.987 -11.207 324 HD2 HIS 43 HD2 HIS 43 0.813 7.401 -13.705 325 HE1 HIS 43 HE1 HIS 43 -0.095 10.329 -10.801 326 HE2 HIS 43 HE2 HIS 43 1.348 9.794 -12.818 327 H HIS 44 H HIS 44 -1.383 3.150 -10.551 328 HA HIS 44 HA HIS 44 -2.034 1.375 -12.869 329 1HB HIS 44 2HB HIS 44 -1.402 0.734 -9.978 330 2HB HIS 44 1HB HIS 44 -2.091 -0.447 -11.092 331 HD2 HIS 44 HD2 HIS 44 -0.341 -0.624 -13.590 332 HE1 HIS 44 HE1 HIS 44 3.122 0.113 -11.287 333 HE2 HIS 44 HE2 HIS 44 2.264 -0.728 -13.521 334 H LEU 45 H LEU 45 -4.180 1.129 -13.273 335 HA LEU 45 HA LEU 45 -6.092 1.516 -11.013 336 1HB LEU 45 2HB LEU 45 -6.425 2.631 -13.816 337 2HB LEU 45 1HB LEU 45 -7.587 2.779 -12.497 338 HG LEU 45 HG LEU 45 -5.372 3.740 -11.270 339 1HD1 LEU 45 1HD1 LEU 45 -5.144 4.609 -14.168 340 2HD1 LEU 45 2HD1 LEU 45 -4.045 3.484 -13.369 341 3HD1 LEU 45 3HD1 LEU 45 -4.138 5.160 -12.827 342 1HD2 LEU 45 1HD2 LEU 45 -6.290 6.041 -12.305 343 2HD2 LEU 45 2HD2 LEU 45 -7.213 5.124 -11.114 344 3HD2 LEU 45 3HD2 LEU 45 -7.596 4.979 -12.829 345 H PHE 46 H PHE 46 -7.719 -0.012 -10.976 346 HA PHE 46 HA PHE 46 -7.881 -1.835 -13.342 347 1HB PHE 46 2HB PHE 46 -8.809 -3.139 -10.967 348 2HB PHE 46 1HB PHE 46 -7.429 -3.564 -11.979 349 HD1 PHE 46 HD1 PHE 46 -8.439 -2.432 -8.770 350 HD2 PHE 46 HD2 PHE 46 -5.272 -2.091 -11.652 351 HE1 PHE 46 HE1 PHE 46 -6.895 -1.679 -6.982 352 HE2 PHE 46 HE2 PHE 46 -3.727 -1.338 -9.864 353 HZ PHE 46 HZ PHE 46 -4.538 -1.133 -7.530 354 H ALA 47 H ALA 47 -10.026 -2.934 -13.543 355 HA ALA 47 HA ALA 47 -12.272 -1.498 -12.240 356 1HB ALA 47 1HB ALA 47 -11.492 -0.523 -14.599 357 2HB ALA 47 2HB ALA 47 -13.200 -0.641 -14.176 358 3HB ALA 47 3HB ALA 47 -12.458 -1.870 -15.201 359 H GLU 48 H GLU 48 -14.422 -2.584 -13.255 360 HA GLU 48 HA GLU 48 -13.898 -5.529 -13.362 361 1HB GLU 48 2HB GLU 48 -16.397 -4.287 -12.207 362 2HB GLU 48 1HB GLU 48 -15.795 -5.932 -11.995 363 1HG GLU 48 2HG GLU 48 -13.802 -4.988 -10.800 364 2HG GLU 48 1HG GLU 48 -14.553 -3.395 -10.897 365 H ASP 49 H ASP 49 -15.763 -2.809 -14.574 366 HA ASP 49 HA ASP 49 -17.107 -4.646 -16.507 367 1HB ASP 49 2HB ASP 49 -18.009 -2.358 -15.011 368 2HB ASP 49 1HB ASP 49 -18.144 -2.012 -16.736 369 H PHE 50 H PHE 50 -15.650 -4.828 -18.186 370 HA PHE 50 HA PHE 50 -13.720 -3.196 -19.170 371 1HB PHE 50 2HB PHE 50 -15.697 -4.188 -21.195 372 2HB PHE 50 1HB PHE 50 -13.934 -4.263 -21.225 373 HD1 PHE 50 HD1 PHE 50 -12.738 -6.083 -20.208 374 HD2 PHE 50 HD2 PHE 50 -16.991 -5.734 -19.723 375 HE1 PHE 50 HE1 PHE 50 -12.818 -8.374 -19.262 376 HE2 PHE 50 HE2 PHE 50 -17.072 -8.025 -18.776 377 HZ PHE 50 HZ PHE 50 -14.985 -9.345 -18.548 378 H ASP 51 H ASP 51 -17.205 -2.689 -19.731 379 HA ASP 51 HA ASP 51 -17.069 -0.492 -21.479 380 1HB ASP 51 2HB ASP 51 -19.202 -1.509 -20.875 381 2HB ASP 51 1HB ASP 51 -19.010 -0.987 -19.201 382 H LYS 52 H LYS 52 -17.823 0.021 -18.032 383 HA LYS 52 HA LYS 52 -17.085 2.696 -17.871 384 1HB LYS 52 2HB LYS 52 -18.099 1.282 -16.026 385 2HB LYS 52 1HB LYS 52 -16.477 0.671 -15.700 386 1HG LYS 52 2HG LYS 52 -16.092 2.478 -14.421 387 2HG LYS 52 1HG LYS 52 -16.250 3.491 -15.855 388 1HD LYS 52 2HD LYS 52 -18.646 2.530 -14.278 389 2HD LYS 52 1HD LYS 52 -17.824 4.046 -13.913 390 1HE LYS 52 2HE LYS 52 -19.223 4.956 -15.450 391 2HE LYS 52 1HE LYS 52 -18.160 4.214 -16.644 392 1HZ LYS 52 1HZ LYS 52 -20.304 3.483 -17.172 393 2HZ LYS 52 2HZ LYS 52 -20.699 3.163 -15.551 394 3HZ LYS 52 3HZ LYS 52 -19.591 2.169 -16.370 395 H LEU 53 H LEU 53 -15.000 -0.088 -18.126 396 HA LEU 53 HA LEU 53 -12.575 1.140 -17.193 397 1HB LEU 53 2HB LEU 53 -13.114 -1.369 -17.719 398 2HB LEU 53 1HB LEU 53 -12.614 -0.950 -19.357 399 HG LEU 53 HG LEU 53 -10.947 -0.493 -16.865 400 1HD1 LEU 53 1HD1 LEU 53 -9.589 -2.347 -17.633 401 2HD1 LEU 53 2HD1 LEU 53 -10.559 -2.508 -19.097 402 3HD1 LEU 53 3HD1 LEU 53 -11.259 -2.902 -17.527 403 1HD2 LEU 53 1HD2 LEU 53 -10.262 1.126 -18.431 404 2HD2 LEU 53 2HD2 LEU 53 -10.565 0.061 -19.803 405 3HD2 LEU 53 3HD2 LEU 53 -9.172 -0.221 -18.759 406 H GLU 54 H GLU 54 -13.726 0.560 -20.541 407 HA GLU 54 HA GLU 54 -11.670 2.077 -21.800 408 1HB GLU 54 2HB GLU 54 -12.913 0.679 -23.234 409 2HB GLU 54 1HB GLU 54 -14.457 1.276 -22.624 410 1HG GLU 54 2HG GLU 54 -14.267 3.317 -23.785 411 2HG GLU 54 1HG GLU 54 -12.529 3.128 -24.015 412 H LYS 55 H LYS 55 -14.712 3.038 -20.315 413 HA LYS 55 HA LYS 55 -14.807 5.693 -21.421 414 1HB LYS 55 2HB LYS 55 -16.111 4.245 -19.170 415 2HB LYS 55 1HB LYS 55 -16.104 6.006 -19.080 416 1HG LYS 55 2HG LYS 55 -16.972 4.518 -21.567 417 2HG LYS 55 1HG LYS 55 -18.102 4.947 -20.282 418 1HD LYS 55 2HD LYS 55 -16.904 7.341 -20.616 419 2HD LYS 55 1HD LYS 55 -16.719 6.697 -22.248 420 1HE LYS 55 2HE LYS 55 -19.324 6.895 -20.708 421 2HE LYS 55 1HE LYS 55 -18.836 7.936 -22.046 422 1HZ LYS 55 1HZ LYS 55 -19.283 5.004 -22.167 423 2HZ LYS 55 2HZ LYS 55 -18.705 5.950 -23.454 424 3HZ LYS 55 3HZ LYS 55 -20.272 6.202 -22.847 425 H ALA 56 H ALA 56 -13.848 4.633 -18.130 426 HA ALA 56 HA ALA 56 -12.733 7.146 -17.375 427 1HB ALA 56 1HB ALA 56 -13.260 4.905 -16.012 428 2HB ALA 56 2HB ALA 56 -12.078 6.080 -15.435 429 3HB ALA 56 3HB ALA 56 -11.539 4.633 -16.288 430 H ALA 57 H ALA 57 -11.308 4.331 -18.994 431 HA ALA 57 HA ALA 57 -8.587 5.205 -18.876 432 1HB ALA 57 1HB ALA 57 -8.126 3.471 -20.365 433 2HB ALA 57 2HB ALA 57 -9.645 3.681 -21.237 434 3HB ALA 57 3HB ALA 57 -9.640 2.917 -19.647 435 H VAL 58 H VAL 58 -11.063 5.619 -21.427 436 HA VAL 58 HA VAL 58 -9.492 7.071 -23.262 437 HB VAL 58 HB VAL 58 -12.437 7.237 -22.595 438 1HG1 VAL 58 1HG1 VAL 58 -12.561 8.415 -24.863 439 2HG1 VAL 58 2HG1 VAL 58 -10.825 8.680 -24.708 440 3HG1 VAL 58 3HG1 VAL 58 -11.932 9.378 -23.526 441 1HG2 VAL 58 1HG2 VAL 58 -10.938 5.322 -23.911 442 2HG2 VAL 58 2HG2 VAL 58 -11.527 6.325 -25.237 443 3HG2 VAL 58 3HG2 VAL 58 -12.670 5.574 -24.123 444 H GLU 59 H GLU 59 -11.492 8.347 -20.579 445 HA GLU 59 HA GLU 59 -10.882 11.087 -20.973 446 1HB GLU 59 2HB GLU 59 -12.380 9.665 -19.158 447 2HB GLU 59 1HB GLU 59 -11.057 10.259 -18.154 448 1HG GLU 59 2HG GLU 59 -12.573 12.035 -18.044 449 2HG GLU 59 1HG GLU 59 -11.518 12.539 -19.365 450 H ALA 60 H ALA 60 -9.389 8.941 -18.517 451 HA ALA 60 HA ALA 60 -7.362 10.462 -17.546 452 1HB ALA 60 1HB ALA 60 -7.595 8.069 -17.010 453 2HB ALA 60 2HB ALA 60 -5.930 8.447 -17.451 454 3HB ALA 60 3HB ALA 60 -6.989 7.646 -18.611 455 H PHE 61 H PHE 61 -7.295 8.931 -20.767 456 HA PHE 61 HA PHE 61 -4.685 9.937 -21.459 457 1HB PHE 61 2HB PHE 61 -5.358 8.164 -22.822 458 2HB PHE 61 1HB PHE 61 -7.000 8.785 -22.991 459 HD1 PHE 61 HD1 PHE 61 -3.629 10.353 -23.514 460 HD2 PHE 61 HD2 PHE 61 -7.413 9.275 -25.235 461 HE1 PHE 61 HE1 PHE 61 -2.988 11.480 -25.628 462 HE2 PHE 61 HE2 PHE 61 -6.773 10.402 -27.350 463 HZ PHE 61 HZ PHE 61 -4.560 11.504 -27.546 464 H LYS 62 H LYS 62 -7.935 10.995 -22.555 465 HA LYS 62 HA LYS 62 -7.156 13.299 -23.940 466 1HB LYS 62 2HB LYS 62 -9.615 12.937 -22.198 467 2HB LYS 62 1HB LYS 62 -9.414 14.184 -23.430 468 1HG LYS 62 2HG LYS 62 -9.170 12.462 -25.164 469 2HG LYS 62 1HG LYS 62 -9.320 11.196 -23.943 470 1HD LYS 62 2HD LYS 62 -11.526 11.279 -24.557 471 2HD LYS 62 1HD LYS 62 -11.558 12.610 -23.400 472 1HE LYS 62 2HE LYS 62 -10.888 14.103 -25.410 473 2HE LYS 62 1HE LYS 62 -11.402 12.742 -26.409 474 1HZ LYS 62 1HZ LYS 62 -13.349 13.176 -24.452 475 2HZ LYS 62 2HZ LYS 62 -13.487 13.377 -26.133 476 3HZ LYS 62 3HZ LYS 62 -12.993 14.677 -25.158 477 H MET 63 H MET 63 -7.043 12.696 -20.530 478 HA MET 63 HA MET 63 -7.035 15.486 -19.708 479 1HB MET 63 2HB MET 63 -7.459 13.281 -18.307 480 2HB MET 63 1HB MET 63 -5.709 13.334 -18.094 481 1HG MET 63 2HG MET 63 -6.140 14.747 -16.376 482 2HG MET 63 1HG MET 63 -6.432 15.953 -17.631 483 1HE MET 63 1HE MET 63 -7.587 13.587 -15.108 484 2HE MET 63 2HE MET 63 -8.584 12.747 -16.292 485 3HE MET 63 3HE MET 63 -9.350 13.680 -15.009 486 H GLY 64 H GLY 64 -4.458 13.016 -20.022 487 1HA GLY 64 2HA GLY 64 -2.513 14.311 -21.368 488 2HA GLY 64 1HA GLY 64 -2.410 15.128 -19.808 489 H PHE 65 H PHE 65 -3.211 11.717 -20.299 490 HA PHE 65 HA PHE 65 -0.621 11.020 -18.968 491 1HB PHE 65 2HB PHE 65 -3.359 9.776 -18.570 492 2HB PHE 65 1HB PHE 65 -1.863 9.117 -17.910 493 HD1 PHE 65 HD1 PHE 65 -3.680 12.403 -18.091 494 HD2 PHE 65 HD2 PHE 65 -1.283 9.722 -15.743 495 HE1 PHE 65 HE1 PHE 65 -3.851 13.946 -16.156 496 HE2 PHE 65 HE2 PHE 65 -1.451 11.264 -13.809 497 HZ PHE 65 HZ PHE 65 -2.737 13.376 -14.015 498 H GLU 66 H GLU 66 0.229 8.897 -19.559 499 HA GLU 66 HA GLU 66 -0.510 8.165 -22.341 500 1HB GLU 66 2HB GLU 66 1.891 7.618 -20.592 501 2HB GLU 66 1HB GLU 66 1.617 6.715 -22.082 502 1HG GLU 66 2HG GLU 66 1.792 8.646 -23.428 503 2HG GLU 66 1HG GLU 66 1.552 9.729 -22.056 504 H VAL 67 H VAL 67 -2.554 7.213 -21.296 505 HA VAL 67 HA VAL 67 -2.686 5.070 -19.553 506 HB VAL 67 HB VAL 67 -4.623 6.138 -20.781 507 1HG1 VAL 67 1HG1 VAL 67 -5.232 5.193 -22.962 508 2HG1 VAL 67 2HG1 VAL 67 -3.793 4.174 -22.940 509 3HG1 VAL 67 3HG1 VAL 67 -3.632 5.927 -23.052 510 1HG2 VAL 67 1HG2 VAL 67 -4.455 3.107 -20.792 511 2HG2 VAL 67 2HG2 VAL 67 -5.949 4.041 -20.850 512 3HG2 VAL 67 3HG2 VAL 67 -4.921 4.110 -19.419 513 H LEU 68 H LEU 68 -2.700 2.736 -19.886 514 HA LEU 68 HA LEU 68 -1.214 1.800 -22.291 515 1HB LEU 68 2HB LEU 68 -0.006 2.102 -19.799 516 2HB LEU 68 1HB LEU 68 -0.428 0.391 -19.853 517 HG LEU 68 HG LEU 68 0.611 0.344 -22.185 518 1HD1 LEU 68 1HD1 LEU 68 0.798 2.570 -22.863 519 2HD1 LEU 68 2HD1 LEU 68 2.436 2.239 -22.300 520 3HD1 LEU 68 3HD1 LEU 68 1.310 3.116 -21.266 521 1HD2 LEU 68 1HD2 LEU 68 2.836 0.025 -21.305 522 2HD2 LEU 68 2HD2 LEU 68 1.702 -0.476 -20.049 523 3HD2 LEU 68 3HD2 LEU 68 2.506 1.091 -19.939 524 H GLU 69 H GLU 69 -1.996 -0.141 -23.056 525 HA GLU 69 HA GLU 69 -4.494 -1.134 -22.405 526 1HB GLU 69 2HB GLU 69 -2.103 -2.257 -23.734 527 2HB GLU 69 1HB GLU 69 -3.243 -3.453 -23.119 528 1HG GLU 69 2HG GLU 69 -5.081 -2.122 -24.274 529 2HG GLU 69 1HG GLU 69 -3.800 -1.208 -25.069 530 H ALA 70 H ALA 70 -5.105 -3.175 -21.263 531 HA ALA 70 HA ALA 70 -3.504 -3.469 -18.757 532 1HB ALA 70 1HB ALA 70 -5.622 -4.252 -17.730 533 2HB ALA 70 2HB ALA 70 -6.443 -4.017 -19.273 534 3HB ALA 70 3HB ALA 70 -5.789 -2.630 -18.403 535 H GLU 71 H GLU 71 -4.112 -5.809 -17.762 536 HA GLU 71 HA GLU 71 -3.963 -7.822 -19.959 537 1HB GLU 71 2HB GLU 71 -2.229 -9.031 -18.551 538 2HB GLU 71 1HB GLU 71 -1.673 -7.525 -19.285 539 1HG GLU 71 2HG GLU 71 -2.880 -7.477 -16.533 540 2HG GLU 71 1HG GLU 71 -1.199 -7.968 -16.740 541 H GLU 72 H GLU 72 -3.845 -10.120 -18.524 542 HA GLU 72 HA GLU 72 -6.358 -9.994 -16.919 543 1HB GLU 72 2HB GLU 72 -5.024 -12.440 -18.114 544 2HB GLU 72 1HB GLU 72 -6.655 -12.332 -17.451 545 1HG GLU 72 2HG GLU 72 -7.190 -10.629 -19.223 546 2HG GLU 72 1HG GLU 72 -5.611 -10.954 -19.939 547 H THR 73 H THR 73 -5.710 -9.646 -14.810 548 HA THR 73 HA THR 73 -3.702 -11.575 -13.708 549 HB THR 73 HB THR 73 -2.801 -9.279 -13.750 550 HG1 THR 73 HG1 THR 73 -1.962 -9.861 -11.936 551 1HG2 THR 73 1HG2 THR 73 -4.832 -8.370 -11.765 552 2HG2 THR 73 2HG2 THR 73 -5.319 -8.420 -13.460 553 3HG2 THR 73 3HG2 THR 73 -3.939 -7.439 -12.968 554 H GLU 74 H GLU 74 -4.192 -10.640 -10.988 555 HA GLU 74 HA GLU 74 -7.055 -11.142 -10.495 556 1HB GLU 74 2HB GLU 74 -5.327 -13.317 -10.588 557 2HB GLU 74 1HB GLU 74 -5.413 -12.938 -8.867 558 1HG GLU 74 2HG GLU 74 -7.875 -12.987 -8.971 559 2HG GLU 74 1HG GLU 74 -7.798 -13.355 -10.695 560 H ASP 75 H ASP 75 -7.680 -10.098 -8.628 561 HA ASP 75 HA ASP 75 -5.672 -8.522 -7.206 562 1HB ASP 75 2HB ASP 75 -8.235 -8.013 -7.754 563 2HB ASP 75 1HB ASP 75 -8.468 -8.781 -6.183 564 H GLU 76 H GLU 76 -5.850 -8.539 -4.681 565 HA GLU 76 HA GLU 76 -5.010 -11.117 -3.758 566 1HB GLU 76 2HB GLU 76 -5.435 -8.443 -2.596 567 2HB GLU 76 1HB GLU 76 -5.727 -9.761 -1.463 568 1HG GLU 76 2HG GLU 76 -3.420 -9.316 -1.227 569 2HG GLU 76 1HG GLU 76 -3.466 -10.717 -2.296 570 H ASP 77 H ASP 77 -8.015 -10.282 -4.688 571 HA ASP 77 HA ASP 77 -9.431 -11.649 -2.463 572 1HB ASP 77 2HB ASP 77 -10.487 -9.614 -3.259 573 2HB ASP 77 1HB ASP 77 -10.437 -10.193 -4.925 574 H GLY 78 H GLY 78 -8.425 -12.127 -5.784 575 1HA GLY 78 2HA GLY 78 -8.155 -14.356 -6.704 576 2HA GLY 78 1HA GLY 78 -9.400 -14.931 -5.593 577 H ASN 79 H ASN 79 -9.443 -12.144 -7.822 578 HA ASN 79 HA ASN 79 -11.653 -13.490 -9.310 579 1HB ASN 79 2HB ASN 79 -12.282 -11.634 -7.513 580 2HB ASN 79 1HB ASN 79 -11.806 -10.541 -8.813 581 1HD2 ASN 79 1HD2 ASN 79 -14.390 -10.228 -8.393 582 2HD2 ASN 79 2HD2 ASN 79 -15.368 -11.112 -9.462 583 H LYS 80 H LYS 80 -11.355 -13.367 -11.487 584 HA LYS 80 HA LYS 80 -9.011 -12.097 -12.585 585 1HB LYS 80 2HB LYS 80 -9.621 -13.881 -13.910 586 2HB LYS 80 1HB LYS 80 -11.345 -13.623 -13.643 587 1HG LYS 80 2HG LYS 80 -11.372 -11.757 -15.182 588 2HG LYS 80 1HG LYS 80 -9.615 -11.798 -15.333 589 1HD LYS 80 2HD LYS 80 -9.632 -13.756 -16.603 590 2HD LYS 80 1HD LYS 80 -11.212 -14.254 -15.997 591 1HE LYS 80 2HE LYS 80 -11.634 -13.523 -18.212 592 2HE LYS 80 1HE LYS 80 -12.132 -12.168 -17.201 593 1HZ LYS 80 1HZ LYS 80 -9.774 -12.438 -18.923 594 2HZ LYS 80 2HZ LYS 80 -9.656 -11.469 -17.532 595 3HZ LYS 80 3HZ LYS 80 -10.817 -11.115 -18.722 596 H LEU 81 H LEU 81 -8.806 -10.098 -13.562 597 HA LEU 81 HA LEU 81 -11.197 -8.548 -14.294 598 1HB LEU 81 2HB LEU 81 -10.073 -6.603 -12.836 599 2HB LEU 81 1HB LEU 81 -11.268 -7.705 -12.148 600 HG LEU 81 HG LEU 81 -9.481 -9.147 -11.291 601 1HD1 LEU 81 1HD1 LEU 81 -7.649 -7.086 -12.555 602 2HD1 LEU 81 2HD1 LEU 81 -7.817 -8.773 -13.041 603 3HD1 LEU 81 3HD1 LEU 81 -7.116 -8.372 -11.473 604 1HD2 LEU 81 1HD2 LEU 81 -8.261 -7.034 -10.012 605 2HD2 LEU 81 2HD2 LEU 81 -9.808 -7.734 -9.539 606 3HD2 LEU 81 3HD2 LEU 81 -9.767 -6.304 -10.570 607 H LEU 82 H LEU 82 -9.948 -6.040 -14.506 608 HA LEU 82 HA LEU 82 -7.653 -6.620 -16.336 609 1HB LEU 82 2HB LEU 82 -9.860 -4.585 -16.773 610 2HB LEU 82 1HB LEU 82 -8.498 -4.886 -17.853 611 HG LEU 82 HG LEU 82 -9.575 -7.416 -17.472 612 1HD1 LEU 82 1HD1 LEU 82 -11.908 -7.307 -17.554 613 2HD1 LEU 82 2HD1 LEU 82 -11.911 -5.635 -18.116 614 3HD1 LEU 82 3HD1 LEU 82 -11.530 -5.999 -16.433 615 1HD2 LEU 82 1HD2 LEU 82 -10.307 -5.479 -19.688 616 2HD2 LEU 82 2HD2 LEU 82 -10.207 -7.236 -19.798 617 3HD2 LEU 82 3HD2 LEU 82 -8.741 -6.282 -19.575 618 H CYS 83 H CYS 83 -5.953 -5.133 -16.261 619 HA CYS 83 HA CYS 83 -6.275 -2.797 -14.436 620 1HB CYS 83 2HB CYS 83 -3.794 -4.518 -14.421 621 2HB CYS 83 1HB CYS 83 -4.287 -3.301 -13.243 622 HG CYS 83 HG CYS 83 -6.057 -5.845 -13.553 623 H PHE 84 H PHE 84 -5.950 -1.096 -15.804 624 HA PHE 84 HA PHE 84 -3.903 -1.360 -17.943 625 1HB PHE 84 2HB PHE 84 -4.876 0.937 -18.614 626 2HB PHE 84 1HB PHE 84 -5.915 -0.471 -18.825 627 HD1 PHE 84 HD1 PHE 84 -7.390 -1.099 -16.708 628 HD2 PHE 84 HD2 PHE 84 -5.718 2.785 -17.467 629 HE1 PHE 84 HE1 PHE 84 -9.083 -0.077 -15.211 630 HE2 PHE 84 HE2 PHE 84 -7.411 3.806 -15.967 631 HZ PHE 84 HZ PHE 84 -9.092 2.375 -14.839 632 H ASP 85 H ASP 85 -2.250 0.301 -18.165 633 HA ASP 85 HA ASP 85 -1.652 1.661 -15.566 634 1HB ASP 85 2HB ASP 85 -0.017 -0.077 -16.016 635 2HB ASP 85 1HB ASP 85 0.233 0.531 -17.654 636 H ALA 86 H ALA 86 -0.490 3.729 -15.768 637 HA ALA 86 HA ALA 86 -0.790 5.054 -18.420 638 1HB ALA 86 1HB ALA 86 -2.763 5.539 -16.864 639 2HB ALA 86 2HB ALA 86 -1.902 6.951 -17.479 640 3HB ALA 86 3HB ALA 86 -1.612 6.389 -15.832 641 H THR 87 H THR 87 0.831 6.595 -18.826 642 HA THR 87 HA THR 87 2.889 6.861 -16.670 643 HB THR 87 HB THR 87 4.122 7.447 -19.118 644 HG1 THR 87 HG1 THR 87 2.006 5.820 -19.464 645 1HG2 THR 87 1HG2 THR 87 4.120 4.788 -17.671 646 2HG2 THR 87 2HG2 THR 87 4.995 6.209 -17.098 647 3HG2 THR 87 3HG2 THR 87 5.421 5.474 -18.644 648 H MET 88 H MET 88 3.935 8.923 -16.493 649 HA MET 88 HA MET 88 2.859 11.159 -18.101 650 1HB MET 88 2HB MET 88 1.371 10.784 -16.044 651 2HB MET 88 1HB MET 88 2.760 11.283 -15.080 652 1HG MET 88 2HG MET 88 2.636 13.470 -15.781 653 2HG MET 88 1HG MET 88 2.000 13.037 -17.368 654 1HE MET 88 1HE MET 88 -0.968 15.088 -16.497 655 2HE MET 88 2HE MET 88 0.437 14.769 -17.512 656 3HE MET 88 3HE MET 88 0.651 15.532 -15.938 657 H GLN 89 H GLN 89 4.380 12.819 -18.289 658 HA GLN 89 HA GLN 89 6.955 12.354 -16.842 659 1HB GLN 89 2HB GLN 89 7.472 14.190 -18.855 660 2HB GLN 89 1HB GLN 89 7.769 12.454 -18.953 661 1HG GLN 89 2HG GLN 89 5.131 13.752 -19.687 662 2HG GLN 89 1HG GLN 89 6.394 13.369 -20.859 663 1HE2 GLN 89 1HE2 GLN 89 6.890 10.940 -18.806 664 2HE2 GLN 89 2HE2 GLN 89 5.783 9.787 -19.376 665 H SER 90 H SER 90 7.240 13.716 -15.157 666 HA SER 90 HA SER 90 6.690 16.594 -15.521 667 1HB SER 90 2HB SER 90 4.832 16.647 -14.249 668 2HB SER 90 1HB SER 90 4.880 14.891 -14.123 669 HG SER 90 HG SER 90 6.622 16.416 -12.548 670 H ALA 91 H ALA 91 7.800 17.889 -13.886 671 HA ALA 91 HA ALA 91 10.353 16.852 -13.139 672 1HB ALA 91 1HB ALA 91 10.018 19.250 -13.397 673 2HB ALA 91 2HB ALA 91 10.523 18.925 -11.738 674 3HB ALA 91 3HB ALA 91 8.828 19.258 -12.096 675 H LEU 92 H LEU 92 11.157 16.417 -10.964 676 HA LEU 92 HA LEU 92 9.321 14.806 -9.406 677 1HB LEU 92 2HB LEU 92 11.828 14.428 -9.644 678 2HB LEU 92 1HB LEU 92 12.052 15.791 -8.546 679 HG LEU 92 HG LEU 92 10.438 14.542 -6.964 680 1HD1 LEU 92 1HD1 LEU 92 11.102 12.417 -9.005 681 2HD1 LEU 92 2HD1 LEU 92 9.518 12.873 -8.379 682 3HD1 LEU 92 3HD1 LEU 92 10.654 12.003 -7.350 683 1HD2 LEU 92 1HD2 LEU 92 12.259 13.557 -5.883 684 2HD2 LEU 92 2HD2 LEU 92 13.072 14.703 -6.949 685 3HD2 LEU 92 3HD2 LEU 92 12.981 12.998 -7.392 686 H ASP 93 H ASP 93 7.675 16.057 -8.498 687 HA ASP 93 HA ASP 93 8.531 17.892 -6.334 688 1HB ASP 93 2HB ASP 93 8.078 19.209 -8.487 689 2HB ASP 93 1HB ASP 93 6.391 18.734 -8.298 690 H ALA 94 H ALA 94 7.346 17.450 -4.537 691 HA ALA 94 HA ALA 94 5.269 15.467 -4.559 692 1HB ALA 94 1HB ALA 94 4.973 16.952 -2.197 693 2HB ALA 94 2HB ALA 94 6.689 17.062 -2.585 694 3HB ALA 94 3HB ALA 94 5.925 15.482 -2.400 695 H LYS 95 H LYS 95 5.249 18.998 -4.627 696 HA LYS 95 HA LYS 95 2.503 19.435 -4.062 697 1HB LYS 95 2HB LYS 95 4.461 21.134 -4.474 698 2HB LYS 95 1HB LYS 95 3.939 21.046 -6.157 699 1HG LYS 95 2HG LYS 95 1.719 21.783 -5.592 700 2HG LYS 95 1HG LYS 95 2.049 21.633 -3.866 701 1HD LYS 95 2HD LYS 95 4.045 23.326 -5.066 702 2HD LYS 95 1HD LYS 95 2.443 23.915 -5.506 703 1HE LYS 95 2HE LYS 95 3.234 23.219 -2.667 704 2HE LYS 95 1HE LYS 95 3.341 24.849 -3.333 705 1HZ LYS 95 1HZ LYS 95 1.222 24.177 -2.093 706 2HZ LYS 95 2HZ LYS 95 0.829 23.312 -3.502 707 3HZ LYS 95 3HZ LYS 95 1.058 24.994 -3.569 708 H LEU 96 H LEU 96 4.107 18.977 -7.231 709 HA LEU 96 HA LEU 96 1.676 18.968 -8.749 710 1HB LEU 96 2HB LEU 96 4.148 19.141 -9.560 711 2HB LEU 96 1HB LEU 96 4.111 17.378 -9.540 712 HG LEU 96 HG LEU 96 1.909 17.630 -10.898 713 1HD1 LEU 96 1HD1 LEU 96 2.157 19.758 -12.379 714 2HD1 LEU 96 2HD1 LEU 96 3.116 20.387 -11.040 715 3HD1 LEU 96 3HD1 LEU 96 1.433 19.930 -10.781 716 1HD2 LEU 96 1HD2 LEU 96 4.674 18.229 -11.971 717 2HD2 LEU 96 2HD2 LEU 96 3.288 17.946 -13.025 718 3HD2 LEU 96 3HD2 LEU 96 3.841 16.676 -11.934 719 H ILE 97 H ILE 97 3.771 16.132 -8.111 720 HA ILE 97 HA ILE 97 2.115 14.069 -8.776 721 HB ILE 97 HB ILE 97 3.687 14.259 -6.188 722 1HG1 ILE 97 2HG1 ILE 97 4.487 12.980 -8.813 723 2HG1 ILE 97 1HG1 ILE 97 4.897 14.646 -8.406 724 1HG2 ILE 97 1HG2 ILE 97 3.767 11.662 -6.786 725 2HG2 ILE 97 2HG2 ILE 97 2.230 12.039 -7.565 726 3HG2 ILE 97 3HG2 ILE 97 2.441 12.341 -5.841 727 1HD1 ILE 97 1HD1 ILE 97 6.713 13.827 -7.347 728 2HD1 ILE 97 2HD1 ILE 97 6.117 12.172 -7.473 729 3HD1 ILE 97 3HD1 ILE 97 5.607 13.194 -6.129 730 H ASP 98 H ASP 98 1.705 16.207 -6.008 731 HA ASP 98 HA ASP 98 -0.372 14.698 -4.714 732 1HB ASP 98 2HB ASP 98 0.863 17.329 -4.444 733 2HB ASP 98 1HB ASP 98 -0.875 17.382 -4.145 734 H GLU 99 H GLU 99 -0.584 17.611 -6.797 735 HA GLU 99 HA GLU 99 -3.433 17.505 -7.057 736 1HB GLU 99 2HB GLU 99 -1.294 18.722 -8.825 737 2HB GLU 99 1HB GLU 99 -3.022 18.947 -9.095 738 1HG GLU 99 2HG GLU 99 -3.008 19.643 -6.543 739 2HG GLU 99 1HG GLU 99 -1.305 19.972 -6.864 740 H GLN 100 H GLN 100 -0.796 16.069 -8.932 741 HA GLN 100 HA GLN 100 -2.313 15.109 -11.131 742 1HB GLN 100 2HB GLN 100 0.298 15.002 -10.507 743 2HB GLN 100 1HB GLN 100 -0.158 13.368 -10.026 744 1HG GLN 100 2HG GLN 100 0.424 13.139 -12.303 745 2HG GLN 100 1HG GLN 100 -1.337 13.237 -12.327 746 1HE2 GLN 100 1HE2 GLN 100 1.437 15.564 -12.340 747 2HE2 GLN 100 2HE2 GLN 100 0.764 16.576 -13.526 748 H VAL 101 H VAL 101 -1.437 13.410 -8.100 749 HA VAL 101 HA VAL 101 -3.091 11.123 -8.638 750 HB VAL 101 HB VAL 101 -1.868 12.267 -6.124 751 1HG1 VAL 101 1HG1 VAL 101 -2.631 9.753 -5.405 752 2HG1 VAL 101 2HG1 VAL 101 -3.991 10.221 -6.425 753 3HG1 VAL 101 3HG1 VAL 101 -3.563 11.201 -5.023 754 1HG2 VAL 101 1HG2 VAL 101 -0.535 10.179 -6.271 755 2HG2 VAL 101 2HG2 VAL 101 -0.374 11.152 -7.733 756 3HG2 VAL 101 3HG2 VAL 101 -1.419 9.730 -7.731 757 H GLU 102 H GLU 102 -3.604 13.808 -6.315 758 HA GLU 102 HA GLU 102 -6.154 13.301 -5.444 759 1HB GLU 102 2HB GLU 102 -4.732 15.376 -4.993 760 2HB GLU 102 1HB GLU 102 -5.393 16.037 -6.488 761 1HG GLU 102 2HG GLU 102 -7.575 16.130 -5.635 762 2HG GLU 102 1HG GLU 102 -7.236 14.940 -4.377 763 H LYS 103 H LYS 103 -5.235 14.347 -8.680 764 HA LYS 103 HA LYS 103 -7.975 14.788 -9.563 765 1HB LYS 103 2HB LYS 103 -5.341 14.485 -11.023 766 2HB LYS 103 1HB LYS 103 -6.871 14.726 -11.867 767 1HG LYS 103 2HG LYS 103 -6.449 16.607 -9.649 768 2HG LYS 103 1HG LYS 103 -5.251 16.753 -10.935 769 1HD LYS 103 2HD LYS 103 -6.950 17.095 -12.597 770 2HD LYS 103 1HD LYS 103 -8.230 16.663 -11.463 771 1HE LYS 103 2HE LYS 103 -8.373 18.798 -10.776 772 2HE LYS 103 1HE LYS 103 -6.670 18.782 -10.317 773 1HZ LYS 103 1HZ LYS 103 -7.895 19.606 -12.864 774 2HZ LYS 103 2HZ LYS 103 -6.283 19.068 -12.834 775 3HZ LYS 103 3HZ LYS 103 -6.749 20.419 -11.915 776 H LEU 104 H LEU 104 -5.550 12.308 -10.476 777 HA LEU 104 HA LEU 104 -7.269 10.569 -11.843 778 1HB LEU 104 2HB LEU 104 -4.814 10.092 -10.159 779 2HB LEU 104 1HB LEU 104 -5.679 8.736 -10.886 780 HG LEU 104 HG LEU 104 -4.785 11.140 -12.491 781 1HD1 LEU 104 1HD1 LEU 104 -3.337 8.536 -11.937 782 2HD1 LEU 104 2HD1 LEU 104 -2.771 10.167 -11.576 783 3HD1 LEU 104 3HD1 LEU 104 -2.910 9.632 -13.251 784 1HD2 LEU 104 1HD2 LEU 104 -6.138 10.081 -13.976 785 2HD2 LEU 104 2HD2 LEU 104 -6.196 8.609 -13.006 786 3HD2 LEU 104 3HD2 LEU 104 -4.841 8.892 -14.100 787 H VAL 105 H VAL 105 -7.086 11.230 -8.434 788 HA VAL 105 HA VAL 105 -8.481 8.821 -7.585 789 HB VAL 105 HB VAL 105 -8.031 11.485 -6.206 790 1HG1 VAL 105 1HG1 VAL 105 -9.268 8.892 -5.260 791 2HG1 VAL 105 2HG1 VAL 105 -9.950 10.516 -5.171 792 3HG1 VAL 105 3HG1 VAL 105 -8.589 10.073 -4.140 793 1HG2 VAL 105 1HG2 VAL 105 -6.109 9.784 -6.823 794 2HG2 VAL 105 2HG2 VAL 105 -6.762 8.863 -5.468 795 3HG2 VAL 105 3HG2 VAL 105 -6.161 10.502 -5.212 796 H ASN 106 H ASN 106 -9.519 12.259 -7.616 797 HA ASN 106 HA ASN 106 -12.246 11.843 -7.150 798 1HB ASN 106 2HB ASN 106 -11.105 13.866 -9.100 799 2HB ASN 106 1HB ASN 106 -12.640 13.981 -8.239 800 1HD2 ASN 106 1HD2 ASN 106 -10.377 15.883 -8.035 801 2HD2 ASN 106 2HD2 ASN 106 -9.886 15.868 -6.410 802 H LEU 107 H LEU 107 -10.564 11.858 -10.301 803 HA LEU 107 HA LEU 107 -12.820 11.340 -11.931 804 1HB LEU 107 2HB LEU 107 -10.621 11.938 -12.854 805 2HB LEU 107 1HB LEU 107 -9.957 10.403 -12.294 806 HG LEU 107 HG LEU 107 -12.223 9.663 -13.742 807 1HD1 LEU 107 1HD1 LEU 107 -12.496 11.837 -14.730 808 2HD1 LEU 107 2HD1 LEU 107 -11.757 10.809 -15.958 809 3HD1 LEU 107 3HD1 LEU 107 -10.770 11.966 -15.066 810 1HD2 LEU 107 1HD2 LEU 107 -10.175 8.413 -13.804 811 2HD2 LEU 107 2HD2 LEU 107 -9.280 9.791 -14.445 812 3HD2 LEU 107 3HD2 LEU 107 -10.467 8.964 -15.455 813 H ALA 108 H ALA 108 -10.457 8.942 -10.681 814 HA ALA 108 HA ALA 108 -11.612 6.586 -11.509 815 1HB ALA 108 1HB ALA 108 -11.001 5.795 -9.030 816 2HB ALA 108 2HB ALA 108 -10.207 7.369 -8.993 817 3HB ALA 108 3HB ALA 108 -9.747 6.178 -10.210 818 H GLU 109 H GLU 109 -12.458 8.062 -8.353 819 HA GLU 109 HA GLU 109 -14.706 6.436 -7.835 820 1HB GLU 109 2HB GLU 109 -13.809 9.142 -6.945 821 2HB GLU 109 1HB GLU 109 -15.483 8.690 -6.618 822 1HG GLU 109 2HG GLU 109 -13.077 7.001 -5.871 823 2HG GLU 109 1HG GLU 109 -13.929 8.070 -4.758 824 H LYS 110 H LYS 110 -14.465 9.440 -9.715 825 HA LYS 110 HA LYS 110 -17.173 10.020 -10.109 826 1HB LYS 110 2HB LYS 110 -14.992 11.154 -11.063 827 2HB LYS 110 1HB LYS 110 -15.305 10.120 -12.459 828 1HG LYS 110 2HG LYS 110 -17.652 11.025 -12.516 829 2HG LYS 110 1HG LYS 110 -17.187 12.167 -11.254 830 1HD LYS 110 2HD LYS 110 -15.277 12.875 -12.817 831 2HD LYS 110 1HD LYS 110 -16.128 11.981 -14.078 832 1HE LYS 110 2HE LYS 110 -17.059 14.087 -14.364 833 2HE LYS 110 1HE LYS 110 -18.205 13.384 -13.222 834 1HZ LYS 110 1HZ LYS 110 -16.037 15.318 -12.711 835 2HZ LYS 110 2HZ LYS 110 -16.646 14.349 -11.454 836 3HZ LYS 110 3HZ LYS 110 -17.675 15.417 -12.282 837 H PHE 111 H PHE 111 -15.215 7.502 -11.643 838 HA PHE 111 HA PHE 111 -17.553 6.666 -13.269 839 1HB PHE 111 2HB PHE 111 -14.645 5.832 -13.238 840 2HB PHE 111 1HB PHE 111 -15.864 4.995 -14.199 841 HD1 PHE 111 HD1 PHE 111 -17.070 6.184 -16.017 842 HD2 PHE 111 HD2 PHE 111 -13.858 8.029 -13.842 843 HE1 PHE 111 HE1 PHE 111 -16.880 7.924 -17.774 844 HE2 PHE 111 HE2 PHE 111 -13.667 9.769 -15.598 845 HZ PHE 111 HZ PHE 111 -15.178 9.717 -17.565 846 H ASP 112 H ASP 112 -15.103 4.658 -11.636 847 HA ASP 112 HA ASP 112 -16.576 3.603 -9.529 848 1HB ASP 112 2HB ASP 112 -17.563 2.684 -12.153 849 2HB ASP 112 1HB ASP 112 -17.219 1.384 -11.011 850 H ILE 113 H ILE 113 -13.846 3.965 -10.573 851 HA ILE 113 HA ILE 113 -12.867 1.147 -10.346 852 HB ILE 113 HB ILE 113 -10.836 1.927 -11.533 853 1HG1 ILE 113 2HG1 ILE 113 -12.374 4.537 -11.729 854 2HG1 ILE 113 1HG1 ILE 113 -10.904 4.276 -10.789 855 1HG2 ILE 113 1HG2 ILE 113 -12.864 2.943 -13.390 856 2HG2 ILE 113 2HG2 ILE 113 -13.343 1.437 -12.607 857 3HG2 ILE 113 3HG2 ILE 113 -11.837 1.516 -13.521 858 1HD1 ILE 113 1HD1 ILE 113 -11.249 4.409 -13.768 859 2HD1 ILE 113 2HD1 ILE 113 -9.932 3.447 -13.095 860 3HD1 ILE 113 3HD1 ILE 113 -10.027 5.175 -12.752 861 H ILE 114 H ILE 114 -10.491 1.197 -9.400 862 HA ILE 114 HA ILE 114 -10.519 3.074 -7.066 863 HB ILE 114 HB ILE 114 -10.811 0.987 -6.065 864 1HG1 ILE 114 2HG1 ILE 114 -7.817 0.828 -6.321 865 2HG1 ILE 114 1HG1 ILE 114 -8.548 2.213 -5.511 866 1HG2 ILE 114 1HG2 ILE 114 -10.773 -0.686 -7.616 867 2HG2 ILE 114 2HG2 ILE 114 -9.111 -0.900 -7.065 868 3HG2 ILE 114 3HG2 ILE 114 -9.445 0.047 -8.515 869 1HD1 ILE 114 1HD1 ILE 114 -9.324 0.952 -3.748 870 2HD1 ILE 114 2HD1 ILE 114 -7.916 -0.019 -4.178 871 3HD1 ILE 114 3HD1 ILE 114 -9.520 -0.497 -4.733 872 H TYR 115 H TYR 115 -8.540 4.022 -6.481 873 HA TYR 115 HA TYR 115 -6.334 3.666 -8.472 874 1HB TYR 115 2HB TYR 115 -6.890 5.893 -8.766 875 2HB TYR 115 1HB TYR 115 -7.484 6.071 -7.115 876 HD1 TYR 115 HD1 TYR 115 -6.006 6.665 -5.302 877 HD2 TYR 115 HD2 TYR 115 -4.452 5.932 -9.239 878 HE1 TYR 115 HE1 TYR 115 -3.825 7.627 -4.620 879 HE2 TYR 115 HE2 TYR 115 -2.270 6.894 -8.557 880 HH TYR 115 HH TYR 115 -1.204 8.081 -6.962 881 H ASP 116 H ASP 116 -5.034 2.180 -7.398 882 HA ASP 116 HA ASP 116 -3.741 3.143 -4.924 883 1HB ASP 116 2HB ASP 116 -5.561 0.785 -5.077 884 2HB ASP 116 1HB ASP 116 -4.092 0.613 -4.115 885 H GLY 117 H GLY 117 -1.937 3.285 -6.468 886 1HA GLY 117 2HA GLY 117 -0.025 1.309 -6.321 887 2HA GLY 117 1HA GLY 117 -0.962 0.844 -7.741 888 H TRP 118 H TRP 118 0.755 3.652 -6.350 889 HA TRP 118 HA TRP 118 1.388 4.474 -9.156 890 1HB TRP 118 2HB TRP 118 1.113 6.697 -8.596 891 2HB TRP 118 1HB TRP 118 -0.037 5.982 -7.468 892 HD1 TRP 118 HD1 TRP 118 0.571 5.974 -4.913 893 HE1 TRP 118 HE1 TRP 118 2.393 7.174 -3.538 894 HE3 TRP 118 HE3 TRP 118 3.616 7.567 -8.689 895 HZ2 TRP 118 HZ2 TRP 118 4.821 8.620 -3.983 896 HZ3 TRP 118 HZ3 TRP 118 5.675 8.852 -8.186 897 HH2 TRP 118 HH2 TRP 118 6.280 9.381 -5.841 898 H GLY 119 H GLY 119 3.559 5.360 -9.477 899 1HA GLY 119 2HA GLY 119 5.584 5.584 -7.550 900 2HA GLY 119 1HA GLY 119 5.588 3.891 -8.044 901 H THR 120 H THR 120 7.717 5.790 -8.537 902 HA THR 120 HA THR 120 7.563 6.025 -11.516 903 HB THR 120 HB THR 120 7.877 8.191 -10.415 904 HG1 THR 120 HG1 THR 120 9.166 7.449 -12.336 905 1HG2 THR 120 1HG2 THR 120 10.543 7.699 -9.360 906 2HG2 THR 120 2HG2 THR 120 9.335 6.693 -8.561 907 3HG2 THR 120 3HG2 THR 120 9.151 8.446 -8.575 908 H TYR 121 H TYR 121 9.960 5.954 -12.438 909 HA TYR 121 HA TYR 121 11.188 3.475 -11.315 910 1HB TYR 121 2HB TYR 121 10.722 4.494 -14.027 911 2HB TYR 121 1HB TYR 121 12.368 3.914 -13.778 912 HD1 TYR 121 HD1 TYR 121 9.238 2.905 -14.843 913 HD2 TYR 121 HD2 TYR 121 12.383 1.661 -12.195 914 HE1 TYR 121 HE1 TYR 121 8.437 0.564 -14.995 915 HE2 TYR 121 HE2 TYR 121 11.582 -0.683 -12.346 916 HH TYR 121 HH TYR 121 10.282 -2.087 -13.815 917 H TYR 122 H TYR 122 13.072 3.740 -10.234 918 HA TYR 122 HA TYR 122 14.412 6.032 -9.609 919 1HB TYR 122 2HB TYR 122 15.015 3.638 -8.935 920 2HB TYR 122 1HB TYR 122 15.956 3.562 -10.425 921 HD1 TYR 122 HD1 TYR 122 15.870 4.718 -7.010 922 HD2 TYR 122 HD2 TYR 122 17.758 5.327 -10.819 923 HE1 TYR 122 HE1 TYR 122 17.733 5.915 -5.895 924 HE2 TYR 122 HE2 TYR 122 19.622 6.524 -9.704 925 HH TYR 122 HH TYR 122 19.829 7.872 -7.416 926 H GLU 123 H GLU 123 15.902 7.428 -10.576 927 HA GLU 123 HA GLU 123 16.014 7.308 -13.523 928 1HB GLU 123 2HB GLU 123 16.172 9.375 -11.492 929 2HB GLU 123 1HB GLU 123 17.521 9.504 -12.621 930 1HG GLU 123 2HG GLU 123 14.703 9.106 -13.616 931 2HG GLU 123 1HG GLU 123 15.314 10.717 -13.236 932 H GLY 124 H GLY 124 17.766 6.548 -14.609 933 1HA GLY 124 2HA GLY 124 20.021 6.019 -15.060 934 2HA GLY 124 1HA GLY 124 20.468 6.822 -13.554 935 H LEU 125 H LEU 125 18.784 3.867 -14.672 936 HA LEU 125 HA LEU 125 19.148 2.448 -12.200 937 1HB LEU 125 2HB LEU 125 18.874 1.233 -14.963 938 2HB LEU 125 1HB LEU 125 18.445 0.490 -13.422 939 HG LEU 125 HG LEU 125 17.088 2.799 -14.820 940 1HD1 LEU 125 1HD1 LEU 125 16.371 0.480 -15.353 941 2HD1 LEU 125 2HD1 LEU 125 15.103 1.386 -14.526 942 3HD1 LEU 125 3HD1 LEU 125 16.061 0.200 -13.639 943 1HD2 LEU 125 1HD2 LEU 125 15.667 2.862 -12.691 944 2HD2 LEU 125 2HD2 LEU 125 17.282 3.558 -12.560 945 3HD2 LEU 125 3HD2 LEU 125 16.961 1.947 -11.919 946 H GLU 126 H GLU 126 21.472 3.060 -11.863 947 HA GLU 126 HA GLU 126 23.391 1.580 -13.575 948 1HB GLU 126 2HB GLU 126 23.971 3.401 -11.222 949 2HB GLU 126 1HB GLU 126 25.113 2.851 -12.449 950 1HG GLU 126 2HG GLU 126 24.299 4.293 -14.054 951 2HG GLU 126 1HG GLU 126 22.665 4.275 -13.392 952 H HIS 127 H HIS 127 25.365 0.876 -11.843 953 HA HIS 127 HA HIS 127 23.993 -1.117 -10.089 954 1HB HIS 127 2HB HIS 127 26.880 -1.407 -10.761 955 2HB HIS 127 1HB HIS 127 25.631 -2.642 -10.615 956 HD2 HIS 127 HD2 HIS 127 27.609 -2.121 -13.410 957 HE1 HIS 127 HE1 HIS 127 23.849 -1.307 -15.153 958 HE2 HIS 127 HE2 HIS 127 26.274 -1.871 -15.637 959 H HIS 128 H HIS 128 27.050 0.761 -10.196 960 HA HIS 128 HA HIS 128 27.018 0.780 -7.217 961 1HB HIS 128 2HB HIS 128 29.246 1.684 -9.060 962 2HB HIS 128 1HB HIS 128 29.358 1.349 -7.332 963 HD2 HIS 128 HD2 HIS 128 30.140 -1.249 -6.800 964 HE1 HIS 128 HE1 HIS 128 29.142 -2.951 -10.536 965 HE2 HIS 128 HE2 HIS 128 30.189 -3.404 -8.269 966 H HIS 129 H HIS 129 28.614 3.112 -6.900 967 HA HIS 129 HA HIS 129 26.970 5.291 -8.086 968 1HB HIS 129 2HB HIS 129 25.945 4.773 -5.903 969 2HB HIS 129 1HB HIS 129 27.513 4.957 -5.118 970 HD2 HIS 129 HD2 HIS 129 27.055 7.664 -7.781 971 HE1 HIS 129 HE1 HIS 129 25.863 9.418 -4.129 972 HE2 HIS 129 HE2 HIS 129 26.433 9.881 -6.557 973 H HIS 130 H HIS 130 29.766 4.464 -6.029 974 HA HIS 130 HA HIS 130 31.098 6.990 -6.771 975 1HB HIS 130 2HB HIS 130 32.609 4.871 -5.343 976 2HB HIS 130 1HB HIS 130 32.494 6.598 -5.000 977 HD2 HIS 130 HD2 HIS 130 31.799 4.081 -2.735 978 HE1 HIS 130 HE1 HIS 130 27.953 5.815 -2.914 979 HE2 HIS 130 HE2 HIS 130 29.474 4.288 -1.575 980 H HIS 131 H HIS 131 32.337 7.122 -8.578 981 HA HIS 131 HA HIS 131 33.277 4.577 -9.816 982 1HB HIS 131 2HB HIS 131 33.650 6.068 -11.841 983 2HB HIS 131 1HB HIS 131 31.967 5.886 -11.347 984 HD2 HIS 131 HD2 HIS 131 33.994 8.733 -12.462 985 HE1 HIS 131 HE1 HIS 131 31.693 10.396 -9.336 986 HE2 HIS 131 HE2 HIS 131 33.173 10.932 -11.324 987 H HIS 132 HN HIS 132 35.246 4.179 -8.810 988 HA HIS 132 HA HIS 132 37.199 6.410 -8.628 989 1HB HIS 132 2HB HIS 132 36.617 4.186 -6.981 990 2HB HIS 132 1HB HIS 132 38.203 3.867 -7.681 991 HD2 HIS 132 HD2 HIS 132 40.254 5.652 -6.856 992 HE1 HIS 132 HE1 HIS 132 37.877 7.841 -4.137 993 HE2 HIS 132 HE2 HIS 132 40.241 7.448 -4.965 Start of MODEL 20 1 1H MET 1 1H MET 1 -9.585 -7.011 8.331 2 2H MET 1 2H MET 1 -9.655 -7.684 6.772 3 3H MET 1 3H MET 1 -10.709 -8.234 7.986 4 HA MET 1 HA MET 1 -10.744 -5.401 7.189 5 1HB MET 1 2HB MET 1 -11.916 -7.764 5.725 6 2HB MET 1 1HB MET 1 -12.688 -6.179 5.652 7 1HG MET 1 2HG MET 1 -9.857 -5.870 5.231 8 2HG MET 1 1HG MET 1 -10.479 -7.095 4.125 9 1HE MET 1 1HE MET 1 -13.386 -6.288 3.148 10 2HE MET 1 2HE MET 1 -11.906 -6.939 2.447 11 3HE MET 1 3HE MET 1 -12.669 -5.526 1.722 12 H SER 2 H SER 2 -13.483 -5.226 7.022 13 HA SER 2 HA SER 2 -14.676 -6.583 9.349 14 1HB SER 2 2HB SER 2 -13.920 -3.680 9.310 15 2HB SER 2 1HB SER 2 -15.396 -4.165 10.141 16 HG SER 2 HG SER 2 -13.845 -5.868 11.050 17 H HIS 3 H HIS 3 -16.907 -6.733 9.102 18 HA HIS 3 HA HIS 3 -18.906 -6.724 7.848 19 1HB HIS 3 2HB HIS 3 -18.049 -3.853 8.080 20 2HB HIS 3 1HB HIS 3 -19.471 -4.258 7.118 21 HD2 HIS 3 HD2 HIS 3 -19.359 -6.709 9.994 22 HE1 HIS 3 HE1 HIS 3 -21.702 -3.486 11.390 23 HE2 HIS 3 HE2 HIS 3 -21.000 -5.881 11.843 24 H GLN 4 H GLN 4 -19.761 -5.434 5.612 25 HA GLN 4 HA GLN 4 -17.767 -6.330 3.590 26 1HB GLN 4 2HB GLN 4 -20.757 -5.885 3.466 27 2HB GLN 4 1HB GLN 4 -19.777 -6.183 2.030 28 1HG GLN 4 2HG GLN 4 -18.886 -8.240 3.391 29 2HG GLN 4 1HG GLN 4 -20.364 -8.026 4.331 30 1HE2 GLN 4 1HE2 GLN 4 -22.426 -8.381 3.238 31 2HE2 GLN 4 2HE2 GLN 4 -22.506 -9.162 1.733 32 H ASP 5 H ASP 5 -19.969 -3.604 4.290 33 HA ASP 5 HA ASP 5 -18.523 -1.978 2.268 34 1HB ASP 5 2HB ASP 5 -20.885 -1.724 2.091 35 2HB ASP 5 1HB ASP 5 -21.073 -1.561 3.837 36 H ASP 6 H ASP 6 -16.652 -1.152 3.114 37 HA ASP 6 HA ASP 6 -16.524 -0.363 5.948 38 1HB ASP 6 2HB ASP 6 -14.375 0.145 3.893 39 2HB ASP 6 1HB ASP 6 -14.198 -0.137 5.624 40 H TYR 7 H TYR 7 -14.983 1.896 5.942 41 HA TYR 7 HA TYR 7 -16.752 3.886 4.576 42 1HB TYR 7 2HB TYR 7 -15.837 3.639 7.332 43 2HB TYR 7 1HB TYR 7 -15.415 5.209 6.647 44 HD1 TYR 7 HD1 TYR 7 -18.068 3.140 7.950 45 HD2 TYR 7 HD2 TYR 7 -17.245 6.566 5.494 46 HE1 TYR 7 HE1 TYR 7 -20.424 3.878 8.190 47 HE2 TYR 7 HE2 TYR 7 -19.599 7.306 5.735 48 HH TYR 7 HH TYR 7 -22.041 5.295 6.945 49 H LEU 8 H LEU 8 -15.712 4.880 2.927 50 HA LEU 8 HA LEU 8 -12.741 5.127 3.075 51 1HB LEU 8 2HB LEU 8 -13.609 5.905 0.517 52 2HB LEU 8 1HB LEU 8 -12.860 4.368 0.954 53 HG LEU 8 HG LEU 8 -15.831 4.910 1.194 54 1HD1 LEU 8 1HD1 LEU 8 -15.173 5.019 -1.164 55 2HD1 LEU 8 2HD1 LEU 8 -16.033 3.511 -0.854 56 3HD1 LEU 8 3HD1 LEU 8 -14.275 3.509 -1.003 57 1HD2 LEU 8 1HD2 LEU 8 -14.122 2.864 2.184 58 2HD2 LEU 8 2HD2 LEU 8 -15.051 2.156 0.864 59 3HD2 LEU 8 3HD2 LEU 8 -15.885 2.906 2.225 60 H SER 9 H SER 9 -11.929 7.217 1.943 61 HA SER 9 HA SER 9 -13.686 9.525 1.966 62 1HB SER 9 2HB SER 9 -11.559 9.696 4.068 63 2HB SER 9 1HB SER 9 -13.076 10.580 3.943 64 HG SER 9 HG SER 9 -12.698 7.850 4.630 65 H VAL 10 H VAL 10 -12.753 9.990 -0.057 66 HA VAL 10 HA VAL 10 -10.159 9.859 -0.938 67 HB VAL 10 HB VAL 10 -10.590 11.881 -2.298 68 1HG1 VAL 10 1HG1 VAL 10 -12.895 9.955 -1.910 69 2HG1 VAL 10 2HG1 VAL 10 -11.608 9.867 -3.113 70 3HG1 VAL 10 3HG1 VAL 10 -12.838 11.125 -3.228 71 1HG2 VAL 10 1HG2 VAL 10 -12.929 12.931 -1.882 72 2HG2 VAL 10 2HG2 VAL 10 -11.613 13.400 -0.805 73 3HG2 VAL 10 3HG2 VAL 10 -12.805 12.214 -0.275 74 H GLU 11 H GLU 11 -11.396 11.977 1.549 75 HA GLU 11 HA GLU 11 -9.121 13.769 1.607 76 1HB GLU 11 2HB GLU 11 -11.170 14.538 2.600 77 2HB GLU 11 1HB GLU 11 -11.275 13.112 3.632 78 1HG GLU 11 2HG GLU 11 -8.740 14.535 3.950 79 2HG GLU 11 1HG GLU 11 -10.134 15.541 4.346 80 H GLU 12 H GLU 12 -10.115 11.179 3.890 81 HA GLU 12 HA GLU 12 -7.662 11.124 5.320 82 1HB GLU 12 2HB GLU 12 -8.488 9.231 6.375 83 2HB GLU 12 1HB GLU 12 -9.986 9.896 5.725 84 1HG GLU 12 2HG GLU 12 -9.620 8.455 3.675 85 2HG GLU 12 1HG GLU 12 -8.301 7.674 4.546 86 H LEU 13 H LEU 13 -8.585 9.698 2.249 87 HA LEU 13 HA LEU 13 -6.299 7.917 2.065 88 1HB LEU 13 2HB LEU 13 -8.040 9.083 -0.133 89 2HB LEU 13 1HB LEU 13 -6.926 7.727 -0.312 90 HG LEU 13 HG LEU 13 -9.250 7.755 1.632 91 1HD1 LEU 13 1HD1 LEU 13 -10.085 5.994 -0.126 92 2HD1 LEU 13 2HD1 LEU 13 -9.005 6.853 -1.226 93 3HD1 LEU 13 3HD1 LEU 13 -10.331 7.712 -0.442 94 1HD2 LEU 13 1HD2 LEU 13 -7.229 5.698 0.728 95 2HD2 LEU 13 2HD2 LEU 13 -8.767 5.222 1.448 96 3HD2 LEU 13 3HD2 LEU 13 -7.623 6.193 2.374 97 H ILE 14 H ILE 14 -7.078 10.915 0.265 98 HA ILE 14 HA ILE 14 -4.644 11.385 -0.958 99 HB ILE 14 HB ILE 14 -6.624 13.275 0.302 100 1HG1 ILE 14 2HG1 ILE 14 -5.804 13.195 -2.582 101 2HG1 ILE 14 1HG1 ILE 14 -6.826 11.900 -1.958 102 1HG2 ILE 14 1HG2 ILE 14 -3.925 13.882 -0.877 103 2HG2 ILE 14 2HG2 ILE 14 -4.708 14.599 0.533 104 3HG2 ILE 14 3HG2 ILE 14 -5.253 15.024 -1.090 105 1HD1 ILE 14 1HD1 ILE 14 -7.798 14.263 -2.898 106 2HD1 ILE 14 2HD1 ILE 14 -7.645 14.637 -1.181 107 3HD1 ILE 14 3HD1 ILE 14 -8.632 13.271 -1.702 108 H GLU 15 H GLU 15 -5.492 12.162 2.417 109 HA GLU 15 HA GLU 15 -3.072 13.430 3.155 110 1HB GLU 15 2HB GLU 15 -5.303 12.960 4.503 111 2HB GLU 15 1HB GLU 15 -4.413 11.544 5.064 112 1HG GLU 15 2HG GLU 15 -3.848 13.173 6.659 113 2HG GLU 15 1HG GLU 15 -2.487 13.237 5.539 114 H ILE 16 H ILE 16 -3.930 9.982 3.639 115 HA ILE 16 HA ILE 16 -1.422 9.066 4.492 116 HB ILE 16 HB ILE 16 -3.556 7.736 2.810 117 1HG1 ILE 16 2HG1 ILE 16 -2.765 6.870 5.554 118 2HG1 ILE 16 1HG1 ILE 16 -3.623 8.404 5.414 119 1HG2 ILE 16 1HG2 ILE 16 -1.849 6.335 2.193 120 2HG2 ILE 16 2HG2 ILE 16 -2.141 5.654 3.794 121 3HG2 ILE 16 3HG2 ILE 16 -0.829 6.808 3.552 122 1HD1 ILE 16 1HD1 ILE 16 -5.363 7.214 4.029 123 2HD1 ILE 16 2HD1 ILE 16 -5.277 6.663 5.702 124 3HD1 ILE 16 3HD1 ILE 16 -4.551 5.697 4.416 125 H GLN 17 H GLN 17 -2.623 9.226 1.121 126 HA GLN 17 HA GLN 17 -0.312 8.301 -0.178 127 1HB GLN 17 2HB GLN 17 -2.689 9.212 -1.056 128 2HB GLN 17 1HB GLN 17 -1.708 10.636 -1.398 129 1HG GLN 17 2HG GLN 17 -1.177 9.566 -3.327 130 2HG GLN 17 1HG GLN 17 -0.096 8.602 -2.321 131 1HE2 GLN 17 1HE2 GLN 17 -0.952 6.485 -1.524 132 2HE2 GLN 17 2HE2 GLN 17 -2.200 5.710 -2.374 133 H LYS 18 H LYS 18 -1.107 11.659 0.762 134 HA LYS 18 HA LYS 18 1.221 12.913 -0.214 135 1HB LYS 18 2HB LYS 18 -0.930 13.587 1.542 136 2HB LYS 18 1HB LYS 18 0.576 14.050 2.336 137 1HG LYS 18 2HG LYS 18 1.245 15.129 0.112 138 2HG LYS 18 1HG LYS 18 -0.436 14.920 -0.376 139 1HD LYS 18 2HD LYS 18 0.176 16.215 2.262 140 2HD LYS 18 1HD LYS 18 0.315 17.163 0.781 141 1HE LYS 18 2HE LYS 18 -1.943 17.137 0.391 142 2HE LYS 18 1HE LYS 18 -2.145 15.521 1.064 143 1HZ LYS 18 1HZ LYS 18 -2.117 18.112 2.423 144 2HZ LYS 18 2HZ LYS 18 -1.499 16.769 3.260 145 3HZ LYS 18 3HZ LYS 18 -3.102 16.758 2.696 146 H GLU 19 H GLU 19 0.683 11.396 2.977 147 HA GLU 19 HA GLU 19 3.246 11.898 4.068 148 1HB GLU 19 2HB GLU 19 1.102 9.883 4.529 149 2HB GLU 19 1HB GLU 19 2.702 9.504 5.170 150 1HG GLU 19 2HG GLU 19 1.435 12.201 5.635 151 2HG GLU 19 1HG GLU 19 1.090 10.833 6.694 152 H GLU 20 H GLU 20 2.241 8.719 2.752 153 HA GLU 20 HA GLU 20 4.733 7.547 2.499 154 1HB GLU 20 2HB GLU 20 2.283 7.397 0.752 155 2HB GLU 20 1HB GLU 20 3.741 6.507 0.314 156 1HG GLU 20 2HG GLU 20 3.737 5.476 2.595 157 2HG GLU 20 1HG GLU 20 2.199 6.275 2.913 158 H THR 21 H THR 21 3.177 9.292 -0.219 159 HA THR 21 HA THR 21 5.244 9.453 -2.008 160 HB THR 21 HB THR 21 3.693 11.935 -1.242 161 HG1 THR 21 HG1 THR 21 2.230 10.248 -1.374 162 1HG2 THR 21 1HG2 THR 21 3.698 11.979 -3.869 163 2HG2 THR 21 2HG2 THR 21 5.065 10.878 -3.692 164 3HG2 THR 21 3HG2 THR 21 5.135 12.493 -2.984 165 H ARG 22 H ARG 22 4.789 12.083 0.382 166 HA ARG 22 HA ARG 22 7.164 13.422 0.138 167 1HB ARG 22 2HB ARG 22 5.328 13.808 1.875 168 2HB ARG 22 1HB ARG 22 6.142 12.596 2.864 169 1HG ARG 22 2HG ARG 22 7.595 14.155 3.577 170 2HG ARG 22 1HG ARG 22 8.130 14.411 1.917 171 1HD ARG 22 2HD ARG 22 7.356 16.536 2.702 172 2HD ARG 22 1HD ARG 22 6.100 15.923 1.626 173 HE ARG 22 HE ARG 22 5.318 15.026 4.126 174 1HH1 ARG 22 1HH2 ARG 22 6.208 18.045 2.719 175 2HH1 ARG 22 2HH2 ARG 22 5.186 18.982 3.755 176 1HH2 ARG 22 2HH1 ARG 22 3.977 16.233 5.488 177 2HH2 ARG 22 1HH1 ARG 22 3.922 17.956 5.324 178 H ASP 23 H ASP 23 6.743 10.440 2.066 179 HA ASP 23 HA ASP 23 9.419 10.162 2.929 180 1HB ASP 23 2HB ASP 23 7.199 8.714 3.340 181 2HB ASP 23 1HB ASP 23 7.946 7.701 2.104 182 H ILE 24 H ILE 24 7.894 8.679 0.040 183 HA ILE 24 HA ILE 24 10.272 7.565 -1.031 184 HB ILE 24 HB ILE 24 7.840 8.640 -2.495 185 1HG1 ILE 24 2HG1 ILE 24 8.541 5.829 -1.588 186 2HG1 ILE 24 1HG1 ILE 24 7.380 6.885 -0.780 187 1HG2 ILE 24 1HG2 ILE 24 9.226 6.404 -3.725 188 2HG2 ILE 24 2HG2 ILE 24 10.310 7.783 -3.531 189 3HG2 ILE 24 3HG2 ILE 24 8.798 7.967 -4.422 190 1HD1 ILE 24 1HD1 ILE 24 6.259 7.056 -3.126 191 2HD1 ILE 24 2HD1 ILE 24 6.013 5.586 -2.184 192 3HD1 ILE 24 3HD1 ILE 24 7.187 5.604 -3.499 193 H ILE 25 H ILE 25 8.660 10.546 -2.198 194 HA ILE 25 HA ILE 25 10.611 11.556 -3.854 195 HB ILE 25 HB ILE 25 9.216 13.273 -1.785 196 1HG1 ILE 25 2HG1 ILE 25 7.497 11.896 -2.722 197 2HG1 ILE 25 1HG1 ILE 25 7.425 13.423 -3.604 198 1HG2 ILE 25 1HG2 ILE 25 9.286 14.369 -4.424 199 2HG2 ILE 25 2HG2 ILE 25 10.912 13.814 -4.026 200 3HG2 ILE 25 3HG2 ILE 25 10.092 14.969 -2.975 201 1HD1 ILE 25 1HD1 ILE 25 9.055 12.281 -5.276 202 2HD1 ILE 25 2HD1 ILE 25 7.356 11.811 -5.319 203 3HD1 ILE 25 3HD1 ILE 25 8.536 10.775 -4.518 204 H GLN 26 H GLN 26 10.567 11.904 -0.298 205 HA GLN 26 HA GLN 26 12.948 13.420 -0.049 206 1HB GLN 26 2HB GLN 26 11.720 11.356 1.799 207 2HB GLN 26 1HB GLN 26 13.078 12.386 2.252 208 1HG GLN 26 2HG GLN 26 10.596 13.642 1.124 209 2HG GLN 26 1HG GLN 26 10.622 13.147 2.817 210 1HE2 GLN 26 1HE2 GLN 26 10.570 15.465 3.449 211 2HE2 GLN 26 2HE2 GLN 26 11.978 16.407 3.344 212 H ALA 27 H ALA 27 12.494 9.885 -0.178 213 HA ALA 27 HA ALA 27 15.232 9.196 0.246 214 1HB ALA 27 1HB ALA 27 13.478 7.572 -1.569 215 2HB ALA 27 2HB ALA 27 13.063 7.704 0.139 216 3HB ALA 27 3HB ALA 27 14.619 7.025 -0.340 217 H LEU 28 H LEU 28 13.405 9.813 -2.755 218 HA LEU 28 HA LEU 28 15.520 9.215 -4.565 219 1HB LEU 28 2HB LEU 28 13.175 11.119 -4.779 220 2HB LEU 28 1HB LEU 28 14.268 10.783 -6.121 221 HG LEU 28 HG LEU 28 13.077 8.462 -4.658 222 1HD1 LEU 28 1HD1 LEU 28 11.608 10.381 -6.446 223 2HD1 LEU 28 2HD1 LEU 28 11.048 9.580 -4.978 224 3HD1 LEU 28 3HD1 LEU 28 11.198 8.666 -6.479 225 1HD2 LEU 28 1HD2 LEU 28 13.502 7.335 -6.657 226 2HD2 LEU 28 2HD2 LEU 28 14.797 8.531 -6.662 227 3HD2 LEU 28 3HD2 LEU 28 13.349 8.797 -7.631 228 H LEU 29 H LEU 29 14.524 12.387 -3.216 229 HA LEU 29 HA LEU 29 16.587 13.920 -4.403 230 1HB LEU 29 2HB LEU 29 14.723 14.231 -2.148 231 2HB LEU 29 1HB LEU 29 16.235 15.116 -1.941 232 HG LEU 29 HG LEU 29 14.426 15.273 -4.371 233 1HD1 LEU 29 1HD1 LEU 29 15.002 17.296 -2.183 234 2HD1 LEU 29 2HD1 LEU 29 13.504 16.382 -2.351 235 3HD1 LEU 29 3HD1 LEU 29 13.963 17.556 -3.585 236 1HD2 LEU 29 1HD2 LEU 29 16.194 17.420 -4.365 237 2HD2 LEU 29 2HD2 LEU 29 16.324 15.986 -5.382 238 3HD2 LEU 29 3HD2 LEU 29 17.197 16.064 -3.852 239 H GLU 30 H GLU 30 16.543 12.506 -1.105 240 HA GLU 30 HA GLU 30 19.147 13.155 -0.329 241 1HB GLU 30 2HB GLU 30 17.499 11.995 1.126 242 2HB GLU 30 1HB GLU 30 17.737 10.519 0.189 243 1HG GLU 30 2HG GLU 30 19.930 10.227 0.957 244 2HG GLU 30 1HG GLU 30 20.101 11.925 1.405 245 H ASP 31 H ASP 31 18.092 10.755 -2.654 246 HA ASP 31 HA ASP 31 20.623 9.348 -2.798 247 1HB ASP 31 2HB ASP 31 18.331 8.503 -3.582 248 2HB ASP 31 1HB ASP 31 18.561 9.525 -5.001 249 H GLY 32 H GLY 32 19.467 12.354 -4.016 250 1HA GLY 32 2HA GLY 32 20.711 14.019 -5.149 251 2HA GLY 32 1HA GLY 32 22.053 12.880 -5.275 252 H SER 33 H SER 33 18.727 12.315 -6.350 253 HA SER 33 HA SER 33 19.518 11.250 -8.871 254 1HB SER 33 2HB SER 33 17.263 10.981 -9.267 255 2HB SER 33 1HB SER 33 17.198 11.248 -7.527 256 HG SER 33 HG SER 33 16.802 13.448 -7.956 257 H ASP 34 H ASP 34 17.491 12.944 -10.397 258 HA ASP 34 HA ASP 34 19.004 15.483 -10.669 259 1HB ASP 34 2HB ASP 34 18.348 13.981 -13.179 260 2HB ASP 34 1HB ASP 34 19.622 15.165 -12.886 261 HA PRO 35 HA PRO 35 14.301 15.748 -10.819 262 1HB PRO 35 2HB PRO 35 15.010 18.259 -9.391 263 2HB PRO 35 1HB PRO 35 13.757 17.062 -9.016 264 1HG PRO 35 2HG PRO 35 16.009 17.257 -7.588 265 2HG PRO 35 1HG PRO 35 15.199 15.708 -7.873 266 1HD PRO 35 2HD PRO 35 17.706 16.774 -9.096 267 2HD PRO 35 1HD PRO 35 17.239 15.092 -8.757 268 H ASP 36 H ASP 36 16.969 17.463 -12.044 269 HA ASP 36 HA ASP 36 15.414 19.624 -13.282 270 1HB ASP 36 2HB ASP 36 17.829 19.865 -12.574 271 2HB ASP 36 1HB ASP 36 18.258 18.776 -13.894 272 H ALA 37 H ALA 37 16.470 16.405 -14.104 273 HA ALA 37 HA ALA 37 15.968 16.807 -16.980 274 1HB ALA 37 1HB ALA 37 17.724 15.274 -16.560 275 2HB ALA 37 2HB ALA 37 16.350 14.252 -16.987 276 3HB ALA 37 3HB ALA 37 16.811 14.447 -15.296 277 H LEU 38 H LEU 38 13.780 17.175 -14.974 278 HA LEU 38 HA LEU 38 11.514 16.597 -14.748 279 1HB LEU 38 2HB LEU 38 12.244 16.340 -17.525 280 2HB LEU 38 1HB LEU 38 11.056 15.103 -17.118 281 HG LEU 38 HG LEU 38 10.636 17.945 -16.216 282 1HD1 LEU 38 1HD1 LEU 38 9.405 18.390 -18.288 283 2HD1 LEU 38 2HD1 LEU 38 9.838 16.796 -18.907 284 3HD1 LEU 38 3HD1 LEU 38 11.088 18.014 -18.657 285 1HD2 LEU 38 1HD2 LEU 38 8.368 17.277 -16.061 286 2HD2 LEU 38 2HD2 LEU 38 9.264 15.873 -15.482 287 3HD2 LEU 38 3HD2 LEU 38 8.617 15.891 -17.122 288 H TYR 39 H TYR 39 10.040 14.689 -14.503 289 HA TYR 39 HA TYR 39 11.549 12.121 -14.272 290 1HB TYR 39 2HB TYR 39 10.503 13.716 -12.132 291 2HB TYR 39 1HB TYR 39 9.558 12.230 -12.227 292 HD1 TYR 39 HD1 TYR 39 10.359 10.378 -11.073 293 HD2 TYR 39 HD2 TYR 39 13.143 13.328 -12.483 294 HE1 TYR 39 HE1 TYR 39 12.221 9.125 -10.018 295 HE2 TYR 39 HE2 TYR 39 15.006 12.076 -11.428 296 HH TYR 39 HH TYR 39 14.682 9.906 -9.116 297 H GLU 40 H GLU 40 9.966 10.236 -14.028 298 HA GLU 40 HA GLU 40 7.472 10.796 -15.586 299 1HB GLU 40 2HB GLU 40 8.769 9.598 -17.124 300 2HB GLU 40 1HB GLU 40 9.522 8.613 -15.868 301 1HG GLU 40 2HG GLU 40 7.697 7.195 -15.689 302 2HG GLU 40 1HG GLU 40 6.558 8.419 -16.248 303 H ILE 41 H ILE 41 5.658 10.234 -14.483 304 HA ILE 41 HA ILE 41 5.962 8.386 -12.159 305 HB ILE 41 HB ILE 41 4.013 10.588 -12.820 306 1HG1 ILE 41 2HG1 ILE 41 4.586 11.120 -10.381 307 2HG1 ILE 41 1HG1 ILE 41 5.825 9.870 -10.504 308 1HG2 ILE 41 1HG2 ILE 41 2.734 9.807 -10.777 309 2HG2 ILE 41 2HG2 ILE 41 3.645 8.299 -10.869 310 3HG2 ILE 41 3HG2 ILE 41 2.571 8.763 -12.189 311 1HD1 ILE 41 1HD1 ILE 41 5.960 11.635 -12.792 312 2HD1 ILE 41 2HD1 ILE 41 7.208 11.265 -11.602 313 3HD1 ILE 41 3HD1 ILE 41 6.055 12.564 -11.297 314 H GLU 42 H GLU 42 4.351 6.703 -11.879 315 HA GLU 42 HA GLU 42 2.795 6.061 -14.345 316 1HB GLU 42 2HB GLU 42 4.989 4.751 -14.125 317 2HB GLU 42 1HB GLU 42 4.256 3.966 -12.728 318 1HG GLU 42 2HG GLU 42 2.591 2.934 -14.017 319 2HG GLU 42 1HG GLU 42 2.780 4.077 -15.347 320 H HIS 43 H HIS 43 0.691 5.916 -13.769 321 HA HIS 43 HA HIS 43 0.033 5.172 -10.961 322 1HB HIS 43 2HB HIS 43 -1.897 6.240 -13.026 323 2HB HIS 43 1HB HIS 43 -2.045 6.282 -11.269 324 HD2 HIS 43 HD2 HIS 43 0.317 7.986 -13.994 325 HE1 HIS 43 HE1 HIS 43 0.109 10.466 -10.581 326 HE2 HIS 43 HE2 HIS 43 1.031 10.261 -12.936 327 H HIS 44 H HIS 44 -1.588 3.546 -10.576 328 HA HIS 44 HA HIS 44 -2.060 1.735 -12.911 329 1HB HIS 44 2HB HIS 44 -0.522 1.145 -10.693 330 2HB HIS 44 1HB HIS 44 -2.090 0.462 -10.263 331 HD2 HIS 44 HD2 HIS 44 -3.039 -0.750 -13.139 332 HE1 HIS 44 HE1 HIS 44 0.713 -2.686 -13.230 333 HE2 HIS 44 HE2 HIS 44 -1.622 -2.654 -14.221 334 H LEU 45 H LEU 45 -4.185 1.280 -13.272 335 HA LEU 45 HA LEU 45 -6.106 1.530 -11.016 336 1HB LEU 45 2HB LEU 45 -6.356 2.938 -13.691 337 2HB LEU 45 1HB LEU 45 -7.662 2.805 -12.512 338 HG LEU 45 HG LEU 45 -5.840 3.784 -10.860 339 1HD1 LEU 45 1HD1 LEU 45 -4.948 5.362 -13.198 340 2HD1 LEU 45 2HD1 LEU 45 -4.321 3.716 -13.129 341 3HD1 LEU 45 3HD1 LEU 45 -4.035 4.826 -11.788 342 1HD2 LEU 45 1HD2 LEU 45 -7.849 4.992 -11.212 343 2HD2 LEU 45 2HD2 LEU 45 -7.489 5.260 -12.917 344 3HD2 LEU 45 3HD2 LEU 45 -6.581 6.125 -11.678 345 H PHE 46 H PHE 46 -7.743 0.008 -11.135 346 HA PHE 46 HA PHE 46 -7.893 -1.590 -13.656 347 1HB PHE 46 2HB PHE 46 -8.681 -3.294 -11.584 348 2HB PHE 46 1HB PHE 46 -7.149 -3.349 -12.453 349 HD1 PHE 46 HD1 PHE 46 -5.399 -1.461 -11.628 350 HD2 PHE 46 HD2 PHE 46 -8.573 -3.137 -9.266 351 HE1 PHE 46 HE1 PHE 46 -4.197 -0.818 -9.556 352 HE2 PHE 46 HE2 PHE 46 -7.370 -2.492 -7.195 353 HZ PHE 46 HZ PHE 46 -5.183 -1.334 -7.340 354 H ALA 47 H ALA 47 -10.019 -2.916 -13.660 355 HA ALA 47 HA ALA 47 -12.241 -1.662 -12.195 356 1HB ALA 47 1HB ALA 47 -13.320 -0.658 -13.991 357 2HB ALA 47 2HB ALA 47 -12.513 -1.681 -15.181 358 3HB ALA 47 3HB ALA 47 -11.637 -0.352 -14.421 359 H GLU 48 H GLU 48 -14.376 -2.761 -12.986 360 HA GLU 48 HA GLU 48 -13.748 -5.635 -13.529 361 1HB GLU 48 2HB GLU 48 -16.290 -4.644 -12.242 362 2HB GLU 48 1HB GLU 48 -15.565 -6.250 -12.154 363 1HG GLU 48 2HG GLU 48 -14.778 -5.521 -10.143 364 2HG GLU 48 1HG GLU 48 -13.551 -4.722 -11.127 365 H ASP 49 H ASP 49 -15.551 -2.846 -14.551 366 HA ASP 49 HA ASP 49 -17.088 -4.501 -16.496 367 1HB ASP 49 2HB ASP 49 -17.666 -2.107 -15.007 368 2HB ASP 49 1HB ASP 49 -17.762 -1.748 -16.730 369 H PHE 50 H PHE 50 -15.410 -4.903 -18.013 370 HA PHE 50 HA PHE 50 -13.434 -3.313 -19.021 371 1HB PHE 50 2HB PHE 50 -13.430 -4.650 -20.904 372 2HB PHE 50 1HB PHE 50 -14.478 -5.624 -19.874 373 HD1 PHE 50 HD1 PHE 50 -17.054 -4.883 -19.938 374 HD2 PHE 50 HD2 PHE 50 -14.183 -4.146 -23.047 375 HE1 PHE 50 HE1 PHE 50 -18.895 -4.639 -21.582 376 HE2 PHE 50 HE2 PHE 50 -16.024 -3.902 -24.690 377 HZ PHE 50 HZ PHE 50 -18.380 -4.148 -23.957 378 H ASP 51 H ASP 51 -16.882 -3.010 -19.865 379 HA ASP 51 HA ASP 51 -16.664 -0.972 -21.807 380 1HB ASP 51 2HB ASP 51 -18.772 -2.203 -21.092 381 2HB ASP 51 1HB ASP 51 -18.839 -1.115 -19.706 382 H LYS 52 H LYS 52 -17.562 -0.390 -18.386 383 HA LYS 52 HA LYS 52 -17.130 2.381 -18.383 384 1HB LYS 52 2HB LYS 52 -18.151 1.187 -16.488 385 2HB LYS 52 1HB LYS 52 -16.603 0.422 -16.126 386 1HG LYS 52 2HG LYS 52 -15.983 2.209 -14.912 387 2HG LYS 52 1HG LYS 52 -16.185 3.251 -16.321 388 1HD LYS 52 2HD LYS 52 -18.482 2.378 -14.549 389 2HD LYS 52 1HD LYS 52 -17.609 3.896 -14.333 390 1HE LYS 52 2HE LYS 52 -18.225 3.813 -17.066 391 2HE LYS 52 1HE LYS 52 -19.681 3.230 -16.259 392 1HZ LYS 52 1HZ LYS 52 -18.920 5.837 -16.524 393 2HZ LYS 52 2HZ LYS 52 -18.520 5.466 -14.915 394 3HZ LYS 52 3HZ LYS 52 -20.110 5.246 -15.469 395 H LEU 53 H LEU 53 -14.789 -0.244 -18.132 396 HA LEU 53 HA LEU 53 -12.538 1.250 -17.257 397 1HB LEU 53 2HB LEU 53 -12.806 -1.313 -17.658 398 2HB LEU 53 1HB LEU 53 -12.308 -0.945 -19.310 399 HG LEU 53 HG LEU 53 -10.742 -0.088 -16.862 400 1HD1 LEU 53 1HD1 LEU 53 -11.058 -2.686 -17.654 401 2HD1 LEU 53 2HD1 LEU 53 -9.605 -2.063 -16.870 402 3HD1 LEU 53 3HD1 LEU 53 -9.669 -2.203 -18.626 403 1HD2 LEU 53 1HD2 LEU 53 -10.043 1.291 -18.606 404 2HD2 LEU 53 2HD2 LEU 53 -10.386 0.077 -19.839 405 3HD2 LEU 53 3HD2 LEU 53 -8.957 -0.082 -18.818 406 H GLU 54 H GLU 54 -13.571 0.487 -20.601 407 HA GLU 54 HA GLU 54 -11.571 1.984 -21.932 408 1HB GLU 54 2HB GLU 54 -14.450 1.565 -22.797 409 2HB GLU 54 1HB GLU 54 -13.103 2.001 -23.851 410 1HG GLU 54 2HG GLU 54 -11.968 -0.111 -23.296 411 2HG GLU 54 1HG GLU 54 -13.294 -0.548 -22.218 412 H LYS 55 H LYS 55 -14.640 3.014 -20.505 413 HA LYS 55 HA LYS 55 -14.702 5.642 -21.621 414 1HB LYS 55 2HB LYS 55 -15.879 4.376 -19.160 415 2HB LYS 55 1HB LYS 55 -16.016 6.118 -19.406 416 1HG LYS 55 2HG LYS 55 -16.730 4.255 -21.651 417 2HG LYS 55 1HG LYS 55 -17.886 4.522 -20.346 418 1HD LYS 55 2HD LYS 55 -18.360 6.627 -21.041 419 2HD LYS 55 1HD LYS 55 -16.663 6.997 -21.355 420 1HE LYS 55 2HE LYS 55 -16.740 5.886 -23.493 421 2HE LYS 55 1HE LYS 55 -18.349 5.244 -23.161 422 1HZ LYS 55 1HZ LYS 55 -19.244 7.096 -23.939 423 2HZ LYS 55 2HZ LYS 55 -17.698 7.667 -24.354 424 3HZ LYS 55 3HZ LYS 55 -18.365 8.041 -22.838 425 H ALA 56 H ALA 56 -13.869 4.869 -18.223 426 HA ALA 56 HA ALA 56 -12.626 7.346 -17.674 427 1HB ALA 56 1HB ALA 56 -12.269 6.439 -15.633 428 2HB ALA 56 2HB ALA 56 -11.366 5.081 -16.305 429 3HB ALA 56 3HB ALA 56 -13.128 5.028 -16.251 430 H ALA 57 H ALA 57 -11.431 4.636 -19.496 431 HA ALA 57 HA ALA 57 -8.616 5.354 -19.211 432 1HB ALA 57 1HB ALA 57 -9.696 3.050 -19.880 433 2HB ALA 57 2HB ALA 57 -8.167 3.541 -20.607 434 3HB ALA 57 3HB ALA 57 -9.672 3.732 -21.507 435 H VAL 58 H VAL 58 -10.994 5.626 -21.875 436 HA VAL 58 HA VAL 58 -9.304 7.040 -23.666 437 HB VAL 58 HB VAL 58 -12.276 6.816 -23.317 438 1HG1 VAL 58 1HG1 VAL 58 -12.442 8.210 -25.453 439 2HG1 VAL 58 2HG1 VAL 58 -10.800 8.755 -25.110 440 3HG1 VAL 58 3HG1 VAL 58 -12.101 9.108 -23.973 441 1HG2 VAL 58 1HG2 VAL 58 -10.783 6.377 -25.867 442 2HG2 VAL 58 2HG2 VAL 58 -12.137 5.472 -25.191 443 3HG2 VAL 58 3HG2 VAL 58 -10.509 5.229 -24.557 444 H GLU 59 H GLU 59 -11.076 8.129 -20.845 445 HA GLU 59 HA GLU 59 -10.911 10.957 -21.499 446 1HB GLU 59 2HB GLU 59 -12.500 9.748 -19.815 447 2HB GLU 59 1HB GLU 59 -11.148 9.896 -18.691 448 1HG GLU 59 2HG GLU 59 -12.134 11.920 -18.254 449 2HG GLU 59 1HG GLU 59 -11.185 12.414 -19.656 450 H ALA 60 H ALA 60 -9.131 8.869 -19.192 451 HA ALA 60 HA ALA 60 -7.272 10.830 -18.339 452 1HB ALA 60 1HB ALA 60 -5.758 8.795 -17.927 453 2HB ALA 60 2HB ALA 60 -7.075 7.823 -18.584 454 3HB ALA 60 3HB ALA 60 -7.329 8.782 -17.125 455 H PHE 61 H PHE 61 -7.142 8.593 -21.106 456 HA PHE 61 HA PHE 61 -4.516 9.354 -21.977 457 1HB PHE 61 2HB PHE 61 -5.603 7.313 -22.797 458 2HB PHE 61 1HB PHE 61 -6.864 8.275 -23.570 459 HD1 PHE 61 HD1 PHE 61 -6.499 9.347 -25.678 460 HD2 PHE 61 HD2 PHE 61 -3.226 7.509 -23.588 461 HE1 PHE 61 HE1 PHE 61 -5.070 9.605 -27.687 462 HE2 PHE 61 HE2 PHE 61 -1.798 7.767 -25.598 463 HZ PHE 61 HZ PHE 61 -2.719 8.816 -27.648 464 H LYS 62 H LYS 62 -7.747 10.641 -22.650 465 HA LYS 62 HA LYS 62 -6.824 12.515 -24.671 466 1HB LYS 62 2HB LYS 62 -9.113 11.981 -24.834 467 2HB LYS 62 1HB LYS 62 -9.372 12.168 -23.099 468 1HG LYS 62 2HG LYS 62 -9.164 14.557 -23.240 469 2HG LYS 62 1HG LYS 62 -8.592 14.469 -24.906 470 1HD LYS 62 2HD LYS 62 -10.791 13.475 -25.562 471 2HD LYS 62 1HD LYS 62 -11.356 13.721 -23.910 472 1HE LYS 62 2HE LYS 62 -11.818 15.882 -24.336 473 2HE LYS 62 1HE LYS 62 -10.175 16.159 -24.915 474 1HZ LYS 62 1HZ LYS 62 -12.119 16.475 -26.537 475 2HZ LYS 62 2HZ LYS 62 -12.153 14.777 -26.611 476 3HZ LYS 62 3HZ LYS 62 -10.754 15.623 -27.073 477 H MET 63 H MET 63 -6.792 12.445 -21.235 478 HA MET 63 HA MET 63 -6.802 15.331 -20.835 479 1HB MET 63 2HB MET 63 -7.108 13.147 -19.182 480 2HB MET 63 1HB MET 63 -5.477 13.689 -18.782 481 1HG MET 63 2HG MET 63 -6.590 16.073 -18.728 482 2HG MET 63 1HG MET 63 -8.081 15.157 -18.499 483 1HE MET 63 1HE MET 63 -8.420 13.360 -16.826 484 2HE MET 63 2HE MET 63 -7.470 13.062 -15.374 485 3HE MET 63 3HE MET 63 -6.857 12.538 -16.940 486 H GLY 64 H GLY 64 -4.256 12.817 -20.697 487 1HA GLY 64 2HA GLY 64 -2.265 14.019 -22.147 488 2HA GLY 64 1HA GLY 64 -2.149 14.846 -20.592 489 H PHE 65 H PHE 65 -3.336 11.836 -19.940 490 HA PHE 65 HA PHE 65 -0.731 10.930 -18.928 491 1HB PHE 65 2HB PHE 65 -3.561 9.902 -18.713 492 2HB PHE 65 1HB PHE 65 -2.192 8.937 -18.160 493 HD1 PHE 65 HD1 PHE 65 -4.151 12.009 -17.608 494 HD2 PHE 65 HD2 PHE 65 -0.851 9.622 -16.241 495 HE1 PHE 65 HE1 PHE 65 -4.087 13.307 -15.496 496 HE2 PHE 65 HE2 PHE 65 -0.788 10.921 -14.128 497 HZ PHE 65 HZ PHE 65 -2.406 12.763 -13.757 498 H GLU 66 H GLU 66 -0.155 8.541 -19.324 499 HA GLU 66 HA GLU 66 -0.661 7.896 -22.204 500 1HB GLU 66 2HB GLU 66 1.684 8.503 -21.769 501 2HB GLU 66 1HB GLU 66 1.773 7.286 -20.497 502 1HG GLU 66 2HG GLU 66 2.445 5.838 -22.093 503 2HG GLU 66 1HG GLU 66 0.790 5.887 -22.702 504 H VAL 67 H VAL 67 -2.564 6.677 -21.478 505 HA VAL 67 HA VAL 67 -2.551 4.597 -19.571 506 HB VAL 67 HB VAL 67 -4.568 5.518 -20.782 507 1HG1 VAL 67 1HG1 VAL 67 -3.735 3.559 -22.938 508 2HG1 VAL 67 2HG1 VAL 67 -3.491 5.302 -23.061 509 3HG1 VAL 67 3HG1 VAL 67 -5.125 4.645 -22.960 510 1HG2 VAL 67 1HG2 VAL 67 -5.744 3.630 -20.237 511 2HG2 VAL 67 2HG2 VAL 67 -4.188 3.103 -19.595 512 3HG2 VAL 67 3HG2 VAL 67 -4.702 2.583 -21.200 513 H LEU 68 H LEU 68 -1.924 2.460 -19.627 514 HA LEU 68 HA LEU 68 -0.547 1.538 -22.118 515 1HB LEU 68 2HB LEU 68 0.402 1.733 -19.402 516 2HB LEU 68 1HB LEU 68 0.379 0.039 -19.892 517 HG LEU 68 HG LEU 68 1.598 2.243 -21.574 518 1HD1 LEU 68 1HD1 LEU 68 3.765 1.038 -20.766 519 2HD1 LEU 68 2HD1 LEU 68 2.761 0.473 -19.431 520 3HD1 LEU 68 3HD1 LEU 68 2.998 2.202 -19.685 521 1HD2 LEU 68 1HD2 LEU 68 0.834 -0.356 -22.203 522 2HD2 LEU 68 2HD2 LEU 68 2.555 -0.511 -21.852 523 3HD2 LEU 68 3HD2 LEU 68 2.006 0.613 -23.095 524 H GLU 69 H GLU 69 -1.107 -0.521 -22.852 525 HA GLU 69 HA GLU 69 -3.588 -1.624 -22.382 526 1HB GLU 69 2HB GLU 69 -0.979 -2.870 -23.193 527 2HB GLU 69 1HB GLU 69 -2.382 -3.903 -22.915 528 1HG GLU 69 2HG GLU 69 -3.645 -2.836 -24.617 529 2HG GLU 69 1HG GLU 69 -2.539 -1.463 -24.687 530 H ALA 70 H ALA 70 -4.427 -3.260 -20.996 531 HA ALA 70 HA ALA 70 -3.038 -3.388 -18.380 532 1HB ALA 70 1HB ALA 70 -5.856 -3.974 -19.290 533 2HB ALA 70 2HB ALA 70 -5.311 -2.759 -18.134 534 3HB ALA 70 3HB ALA 70 -5.278 -4.468 -17.698 535 H GLU 71 H GLU 71 -3.451 -5.618 -17.222 536 HA GLU 71 HA GLU 71 -2.956 -7.837 -19.159 537 1HB GLU 71 2HB GLU 71 -1.417 -8.621 -17.082 538 2HB GLU 71 1HB GLU 71 -0.787 -7.664 -18.425 539 1HG GLU 71 2HG GLU 71 -2.031 -6.283 -16.062 540 2HG GLU 71 1HG GLU 71 -0.363 -6.849 -15.970 541 H GLU 72 H GLU 72 -4.971 -8.804 -18.858 542 HA GLU 72 HA GLU 72 -6.613 -9.018 -16.692 543 1HB GLU 72 2HB GLU 72 -5.779 -11.245 -18.567 544 2HB GLU 72 1HB GLU 72 -7.116 -11.392 -17.426 545 1HG GLU 72 2HG GLU 72 -7.907 -9.126 -18.516 546 2HG GLU 72 1HG GLU 72 -6.887 -9.647 -19.857 547 H THR 73 H THR 73 -5.968 -9.231 -14.593 548 HA THR 73 HA THR 73 -4.375 -11.644 -13.893 549 HB THR 73 HB THR 73 -2.812 -9.708 -14.005 550 HG1 THR 73 HG1 THR 73 -2.139 -9.906 -11.760 551 1HG2 THR 73 1HG2 THR 73 -4.055 -8.469 -11.611 552 2HG2 THR 73 2HG2 THR 73 -4.894 -8.216 -13.140 553 3HG2 THR 73 3HG2 THR 73 -3.213 -7.711 -12.963 554 H GLU 74 H GLU 74 -4.221 -10.683 -11.089 555 HA GLU 74 HA GLU 74 -7.085 -10.519 -10.326 556 1HB GLU 74 2HB GLU 74 -7.085 -12.468 -9.027 557 2HB GLU 74 1HB GLU 74 -6.158 -12.969 -10.440 558 1HG GLU 74 2HG GLU 74 -4.122 -12.038 -9.008 559 2HG GLU 74 1HG GLU 74 -5.212 -12.379 -7.663 560 H ASP 75 H ASP 75 -7.362 -9.817 -8.090 561 HA ASP 75 HA ASP 75 -5.050 -8.203 -7.165 562 1HB ASP 75 2HB ASP 75 -7.484 -7.324 -7.457 563 2HB ASP 75 1HB ASP 75 -7.802 -8.162 -5.938 564 H GLU 76 H GLU 76 -5.995 -8.086 -4.409 565 HA GLU 76 HA GLU 76 -4.740 -10.567 -3.456 566 1HB GLU 76 2HB GLU 76 -4.345 -8.198 -2.508 567 2HB GLU 76 1HB GLU 76 -5.914 -8.388 -1.725 568 1HG GLU 76 2HG GLU 76 -4.102 -9.083 -0.209 569 2HG GLU 76 1HG GLU 76 -5.115 -10.462 -0.638 570 H ASP 77 H ASP 77 -7.448 -10.632 -4.719 571 HA ASP 77 HA ASP 77 -8.872 -11.923 -2.432 572 1HB ASP 77 2HB ASP 77 -10.058 -9.866 -2.811 573 2HB ASP 77 1HB ASP 77 -10.028 -10.104 -4.559 574 H GLY 78 H GLY 78 -7.921 -11.953 -5.770 575 1HA GLY 78 2HA GLY 78 -7.685 -14.030 -6.995 576 2HA GLY 78 1HA GLY 78 -8.940 -14.738 -5.975 577 H ASN 79 H ASN 79 -9.646 -11.575 -7.055 578 HA ASN 79 HA ASN 79 -11.762 -12.653 -8.814 579 1HB ASN 79 2HB ASN 79 -11.728 -10.570 -7.035 580 2HB ASN 79 1HB ASN 79 -11.466 -9.726 -8.562 581 1HD2 ASN 79 1HD2 ASN 79 -13.937 -10.417 -6.589 582 2HD2 ASN 79 2HD2 ASN 79 -15.176 -10.716 -7.712 583 H LYS 80 H LYS 80 -11.510 -12.730 -10.998 584 HA LYS 80 HA LYS 80 -9.090 -11.736 -12.250 585 1HB LYS 80 2HB LYS 80 -10.189 -12.492 -14.364 586 2HB LYS 80 1HB LYS 80 -10.181 -13.740 -13.119 587 1HG LYS 80 2HG LYS 80 -12.510 -12.868 -12.464 588 2HG LYS 80 1HG LYS 80 -12.488 -12.004 -14.002 589 1HD LYS 80 2HD LYS 80 -11.956 -14.223 -15.115 590 2HD LYS 80 1HD LYS 80 -12.304 -14.993 -13.568 591 1HE LYS 80 2HE LYS 80 -14.402 -15.102 -14.533 592 2HE LYS 80 1HE LYS 80 -14.522 -13.531 -13.740 593 1HZ LYS 80 1HZ LYS 80 -14.363 -14.172 -16.556 594 2HZ LYS 80 2HZ LYS 80 -13.388 -12.870 -16.069 595 3HZ LYS 80 3HZ LYS 80 -15.063 -12.834 -15.785 596 H LEU 81 H LEU 81 -8.777 -9.776 -13.229 597 HA LEU 81 HA LEU 81 -11.071 -8.185 -14.155 598 1HB LEU 81 2HB LEU 81 -10.313 -6.198 -12.761 599 2HB LEU 81 1HB LEU 81 -11.089 -7.497 -11.856 600 HG LEU 81 HG LEU 81 -8.445 -8.280 -11.840 601 1HD1 LEU 81 1HD1 LEU 81 -7.018 -6.476 -11.625 602 2HD1 LEU 81 2HD1 LEU 81 -8.299 -5.395 -11.080 603 3HD1 LEU 81 3HD1 LEU 81 -8.159 -5.805 -12.790 604 1HD2 LEU 81 1HD2 LEU 81 -9.735 -8.435 -9.866 605 2HD2 LEU 81 2HD2 LEU 81 -10.153 -6.722 -9.903 606 3HD2 LEU 81 3HD2 LEU 81 -8.517 -7.221 -9.474 607 H LEU 82 H LEU 82 -9.852 -5.766 -14.558 608 HA LEU 82 HA LEU 82 -7.426 -6.476 -16.163 609 1HB LEU 82 2HB LEU 82 -9.537 -4.404 -16.837 610 2HB LEU 82 1HB LEU 82 -8.139 -4.829 -17.825 611 HG LEU 82 HG LEU 82 -9.161 -7.277 -17.579 612 1HD1 LEU 82 1HD1 LEU 82 -11.762 -5.895 -17.825 613 2HD1 LEU 82 2HD1 LEU 82 -11.064 -5.873 -16.205 614 3HD1 LEU 82 3HD1 LEU 82 -11.364 -7.410 -17.016 615 1HD2 LEU 82 1HD2 LEU 82 -10.264 -5.157 -19.452 616 2HD2 LEU 82 2HD2 LEU 82 -10.325 -6.899 -19.726 617 3HD2 LEU 82 3HD2 LEU 82 -8.772 -6.065 -19.698 618 H CYS 83 H CYS 83 -5.693 -5.028 -16.035 619 HA CYS 83 HA CYS 83 -6.095 -2.610 -14.334 620 1HB CYS 83 2HB CYS 83 -3.490 -3.506 -13.812 621 2HB CYS 83 1HB CYS 83 -4.868 -3.580 -12.712 622 HG CYS 83 HG CYS 83 -4.856 -5.933 -14.642 623 H PHE 84 H PHE 84 -5.778 -1.021 -15.857 624 HA PHE 84 HA PHE 84 -3.582 -1.345 -17.822 625 1HB PHE 84 2HB PHE 84 -4.529 0.920 -18.644 626 2HB PHE 84 1HB PHE 84 -5.524 -0.516 -18.879 627 HD1 PHE 84 HD1 PHE 84 -7.151 -1.098 -16.867 628 HD2 PHE 84 HD2 PHE 84 -5.477 2.787 -17.618 629 HE1 PHE 84 HE1 PHE 84 -8.967 -0.057 -15.538 630 HE2 PHE 84 HE2 PHE 84 -7.292 3.827 -16.287 631 HZ PHE 84 HZ PHE 84 -9.037 2.405 -15.247 632 H ASP 85 H ASP 85 -1.950 0.348 -18.046 633 HA ASP 85 HA ASP 85 -1.433 1.722 -15.438 634 1HB ASP 85 2HB ASP 85 0.373 0.495 -17.503 635 2HB ASP 85 1HB ASP 85 0.983 1.786 -16.467 636 H ALA 86 H ALA 86 -0.775 3.915 -15.481 637 HA ALA 86 HA ALA 86 -1.023 5.270 -18.136 638 1HB ALA 86 1HB ALA 86 -2.455 5.758 -15.592 639 2HB ALA 86 2HB ALA 86 -2.938 6.135 -17.246 640 3HB ALA 86 3HB ALA 86 -1.826 7.202 -16.386 641 H THR 87 H THR 87 0.829 6.337 -18.626 642 HA THR 87 HA THR 87 2.670 7.037 -16.386 643 HB THR 87 HB THR 87 4.026 7.431 -18.797 644 HG1 THR 87 HG1 THR 87 2.216 5.270 -18.903 645 1HG2 THR 87 1HG2 THR 87 3.983 4.872 -17.189 646 2HG2 THR 87 2HG2 THR 87 4.756 6.350 -16.616 647 3HG2 THR 87 3HG2 THR 87 5.338 5.562 -18.082 648 H MET 88 H MET 88 3.777 9.135 -16.517 649 HA MET 88 HA MET 88 2.732 11.165 -18.349 650 1HB MET 88 2HB MET 88 0.945 11.040 -16.626 651 2HB MET 88 1HB MET 88 2.146 11.384 -15.380 652 1HG MET 88 2HG MET 88 2.693 13.465 -16.907 653 2HG MET 88 1HG MET 88 1.060 13.191 -17.515 654 1HE MET 88 1HE MET 88 -0.259 15.000 -16.853 655 2HE MET 88 2HE MET 88 -1.020 15.059 -15.265 656 3HE MET 88 3HE MET 88 -1.110 13.583 -16.224 657 H GLN 89 H GLN 89 4.146 12.926 -18.466 658 HA GLN 89 HA GLN 89 6.671 12.617 -16.951 659 1HB GLN 89 2HB GLN 89 6.355 14.843 -18.890 660 2HB GLN 89 1HB GLN 89 7.690 13.706 -18.689 661 1HG GLN 89 2HG GLN 89 5.016 13.109 -19.990 662 2HG GLN 89 1HG GLN 89 6.562 13.284 -20.821 663 1HE2 GLN 89 1HE2 GLN 89 4.561 11.081 -18.994 664 2HE2 GLN 89 2HE2 GLN 89 5.635 9.766 -19.023 665 H SER 90 H SER 90 6.963 13.773 -15.115 666 HA SER 90 HA SER 90 5.944 16.543 -14.962 667 1HB SER 90 2HB SER 90 4.108 15.841 -13.813 668 2HB SER 90 1HB SER 90 4.803 14.255 -13.491 669 HG SER 90 HG SER 90 5.120 15.015 -11.561 670 H ALA 91 H ALA 91 7.007 17.761 -13.266 671 HA ALA 91 HA ALA 91 9.730 16.913 -12.789 672 1HB ALA 91 1HB ALA 91 9.491 19.242 -12.942 673 2HB ALA 91 2HB ALA 91 9.640 18.990 -11.203 674 3HB ALA 91 3HB ALA 91 8.052 19.257 -11.923 675 H LEU 92 H LEU 92 10.692 16.441 -10.719 676 HA LEU 92 HA LEU 92 9.056 14.761 -9.032 677 1HB LEU 92 2HB LEU 92 11.686 14.811 -9.506 678 2HB LEU 92 1HB LEU 92 11.676 15.809 -8.052 679 HG LEU 92 HG LEU 92 10.134 13.907 -7.097 680 1HD1 LEU 92 1HD1 LEU 92 11.579 12.558 -9.394 681 2HD1 LEU 92 2HD1 LEU 92 9.837 12.638 -9.132 682 3HD1 LEU 92 3HD1 LEU 92 10.849 11.680 -8.050 683 1HD2 LEU 92 1HD2 LEU 92 12.065 12.883 -6.127 684 2HD2 LEU 92 2HD2 LEU 92 12.524 14.556 -6.445 685 3HD2 LEU 92 3HD2 LEU 92 13.061 13.272 -7.529 686 H ASP 93 H ASP 93 7.665 15.510 -7.519 687 HA ASP 93 HA ASP 93 8.439 17.436 -5.526 688 1HB ASP 93 2HB ASP 93 6.940 18.392 -7.921 689 2HB ASP 93 1HB ASP 93 6.415 18.997 -6.350 690 H ALA 94 H ALA 94 7.126 17.136 -3.758 691 HA ALA 94 HA ALA 94 5.147 15.059 -3.798 692 1HB ALA 94 1HB ALA 94 5.105 15.319 -1.524 693 2HB ALA 94 2HB ALA 94 5.017 17.077 -1.624 694 3HB ALA 94 3HB ALA 94 6.566 16.259 -1.826 695 H LYS 95 H LYS 95 4.589 18.487 -2.920 696 HA LYS 95 HA LYS 95 1.867 18.636 -3.052 697 1HB LYS 95 2HB LYS 95 3.183 20.748 -4.667 698 2HB LYS 95 1HB LYS 95 2.122 20.899 -3.265 699 1HG LYS 95 2HG LYS 95 4.028 20.069 -1.834 700 2HG LYS 95 1HG LYS 95 5.065 20.179 -3.258 701 1HD LYS 95 2HD LYS 95 3.734 22.640 -3.172 702 2HD LYS 95 1HD LYS 95 4.141 22.298 -1.489 703 1HE LYS 95 2HE LYS 95 6.072 22.271 -3.828 704 2HE LYS 95 1HE LYS 95 5.987 23.500 -2.566 705 1HZ LYS 95 1HZ LYS 95 6.337 21.570 -0.970 706 2HZ LYS 95 2HZ LYS 95 7.678 22.072 -1.887 707 3HZ LYS 95 3HZ LYS 95 6.818 20.674 -2.328 708 H LEU 96 H LEU 96 4.027 18.471 -5.868 709 HA LEU 96 HA LEU 96 2.044 18.826 -7.881 710 1HB LEU 96 2HB LEU 96 4.804 17.874 -7.733 711 2HB LEU 96 1HB LEU 96 3.866 17.019 -8.956 712 HG LEU 96 HG LEU 96 3.150 19.178 -9.918 713 1HD1 LEU 96 1HD1 LEU 96 4.685 21.154 -9.003 714 2HD1 LEU 96 2HD1 LEU 96 4.633 20.191 -7.526 715 3HD1 LEU 96 3HD1 LEU 96 3.135 20.780 -8.249 716 1HD2 LEU 96 1HD2 LEU 96 5.565 17.959 -10.228 717 2HD2 LEU 96 2HD2 LEU 96 6.085 19.569 -9.733 718 3HD2 LEU 96 3HD2 LEU 96 5.064 19.372 -11.157 719 H ILE 97 H ILE 97 3.482 15.728 -6.784 720 HA ILE 97 HA ILE 97 1.639 14.036 -8.087 721 HB ILE 97 HB ILE 97 3.170 13.672 -5.501 722 1HG1 ILE 97 2HG1 ILE 97 3.680 12.181 -8.043 723 2HG1 ILE 97 1HG1 ILE 97 4.175 13.872 -7.965 724 1HG2 ILE 97 1HG2 ILE 97 1.309 12.162 -5.362 725 2HG2 ILE 97 2HG2 ILE 97 2.687 11.210 -5.913 726 3HG2 ILE 97 3HG2 ILE 97 1.455 11.728 -7.065 727 1HD1 ILE 97 1HD1 ILE 97 4.881 12.002 -5.719 728 2HD1 ILE 97 2HD1 ILE 97 5.689 13.486 -6.223 729 3HD1 ILE 97 3HD1 ILE 97 5.856 12.020 -7.188 730 H ASP 98 H ASP 98 1.300 15.888 -5.128 731 HA ASP 98 HA ASP 98 -0.972 14.506 -4.059 732 1HB ASP 98 2HB ASP 98 0.244 16.082 -2.674 733 2HB ASP 98 1HB ASP 98 -0.094 17.397 -3.801 734 H GLU 99 H GLU 99 -0.819 17.509 -6.016 735 HA GLU 99 HA GLU 99 -3.637 17.739 -6.379 736 1HB GLU 99 2HB GLU 99 -1.232 18.778 -7.848 737 2HB GLU 99 1HB GLU 99 -2.835 18.986 -8.555 738 1HG GLU 99 2HG GLU 99 -3.610 20.239 -6.680 739 2HG GLU 99 1HG GLU 99 -2.218 19.772 -5.702 740 H GLN 100 H GLN 100 -1.144 16.185 -8.409 741 HA GLN 100 HA GLN 100 -2.824 15.366 -10.531 742 1HB GLN 100 2HB GLN 100 -0.315 14.202 -9.329 743 2HB GLN 100 1HB GLN 100 -1.139 13.389 -10.660 744 1HG GLN 100 2HG GLN 100 -0.643 15.058 -12.173 745 2HG GLN 100 1HG GLN 100 -0.630 16.317 -10.937 746 1HE2 GLN 100 1HE2 GLN 100 1.522 16.868 -12.099 747 2HE2 GLN 100 2HE2 GLN 100 2.915 16.058 -11.568 748 H VAL 101 H VAL 101 -1.822 13.375 -7.718 749 HA VAL 101 HA VAL 101 -3.510 11.188 -8.164 750 HB VAL 101 HB VAL 101 -2.758 12.455 -5.512 751 1HG1 VAL 101 1HG1 VAL 101 -3.066 9.794 -5.030 752 2HG1 VAL 101 2HG1 VAL 101 -4.319 10.046 -6.245 753 3HG1 VAL 101 3HG1 VAL 101 -4.334 10.987 -4.754 754 1HG2 VAL 101 1HG2 VAL 101 -0.883 10.991 -5.525 755 2HG2 VAL 101 2HG2 VAL 101 -0.934 11.664 -7.155 756 3HG2 VAL 101 3HG2 VAL 101 -1.539 10.036 -6.855 757 H GLU 102 H GLU 102 -4.278 14.082 -6.193 758 HA GLU 102 HA GLU 102 -6.869 13.549 -5.432 759 1HB GLU 102 2HB GLU 102 -6.011 15.665 -4.808 760 2HB GLU 102 1HB GLU 102 -5.642 16.101 -6.477 761 1HG GLU 102 2HG GLU 102 -7.999 16.279 -7.015 762 2HG GLU 102 1HG GLU 102 -8.450 15.662 -5.425 763 H LYS 103 H LYS 103 -5.842 14.656 -8.661 764 HA LYS 103 HA LYS 103 -8.495 14.736 -9.769 765 1HB LYS 103 2HB LYS 103 -5.726 14.580 -10.947 766 2HB LYS 103 1HB LYS 103 -7.150 14.455 -11.982 767 1HG LYS 103 2HG LYS 103 -7.983 16.606 -11.021 768 2HG LYS 103 1HG LYS 103 -6.478 16.746 -10.113 769 1HD LYS 103 2HD LYS 103 -5.350 16.414 -12.461 770 2HD LYS 103 1HD LYS 103 -6.919 16.931 -13.079 771 1HE LYS 103 2HE LYS 103 -6.785 18.979 -11.702 772 2HE LYS 103 1HE LYS 103 -5.208 18.466 -11.099 773 1HZ LYS 103 1HZ LYS 103 -4.851 18.273 -13.738 774 2HZ LYS 103 2HZ LYS 103 -4.462 19.655 -12.830 775 3HZ LYS 103 3HZ LYS 103 -5.934 19.577 -13.674 776 H LEU 104 H LEU 104 -5.888 12.314 -10.241 777 HA LEU 104 HA LEU 104 -7.391 10.387 -11.612 778 1HB LEU 104 2HB LEU 104 -5.305 9.827 -9.481 779 2HB LEU 104 1HB LEU 104 -5.796 8.733 -10.774 780 HG LEU 104 HG LEU 104 -4.683 11.487 -11.331 781 1HD1 LEU 104 1HD1 LEU 104 -3.295 8.923 -10.674 782 2HD1 LEU 104 2HD1 LEU 104 -2.801 10.582 -10.339 783 3HD1 LEU 104 3HD1 LEU 104 -2.618 9.918 -11.962 784 1HD2 LEU 104 1HD2 LEU 104 -5.866 10.521 -13.196 785 2HD2 LEU 104 2HD2 LEU 104 -5.093 8.956 -12.947 786 3HD2 LEU 104 3HD2 LEU 104 -4.144 10.326 -13.524 787 H VAL 105 H VAL 105 -7.702 11.448 -8.357 788 HA VAL 105 HA VAL 105 -9.105 9.030 -7.444 789 HB VAL 105 HB VAL 105 -8.720 11.753 -6.158 790 1HG1 VAL 105 1HG1 VAL 105 -10.713 10.777 -5.236 791 2HG1 VAL 105 2HG1 VAL 105 -9.421 10.466 -4.077 792 3HG1 VAL 105 3HG1 VAL 105 -9.967 9.181 -5.153 793 1HG2 VAL 105 1HG2 VAL 105 -6.889 9.714 -6.570 794 2HG2 VAL 105 2HG2 VAL 105 -7.495 9.376 -4.947 795 3HG2 VAL 105 3HG2 VAL 105 -6.778 10.946 -5.313 796 H ASN 106 H ASN 106 -10.121 12.466 -7.442 797 HA ASN 106 HA ASN 106 -12.876 12.049 -7.318 798 1HB ASN 106 2HB ASN 106 -11.195 14.181 -8.610 799 2HB ASN 106 1HB ASN 106 -12.945 14.200 -8.838 800 1HD2 ASN 106 1HD2 ASN 106 -10.790 13.498 -6.018 801 2HD2 ASN 106 2HD2 ASN 106 -11.610 14.533 -4.953 802 H LEU 107 H LEU 107 -10.737 11.779 -10.111 803 HA LEU 107 HA LEU 107 -12.855 11.485 -12.060 804 1HB LEU 107 2HB LEU 107 -10.663 12.128 -12.837 805 2HB LEU 107 1HB LEU 107 -9.924 10.713 -12.087 806 HG LEU 107 HG LEU 107 -12.076 9.908 -13.852 807 1HD1 LEU 107 1HD1 LEU 107 -11.485 12.046 -14.997 808 2HD1 LEU 107 2HD1 LEU 107 -11.113 10.626 -15.973 809 3HD1 LEU 107 3HD1 LEU 107 -9.821 11.480 -15.131 810 1HD2 LEU 107 1HD2 LEU 107 -10.135 8.545 -12.992 811 2HD2 LEU 107 2HD2 LEU 107 -9.080 9.473 -14.058 812 3HD2 LEU 107 3HD2 LEU 107 -10.349 8.455 -14.740 813 H ALA 108 H ALA 108 -10.687 9.125 -10.459 814 HA ALA 108 HA ALA 108 -11.801 6.776 -11.547 815 1HB ALA 108 1HB ALA 108 -11.087 5.730 -9.309 816 2HB ALA 108 2HB ALA 108 -10.562 7.350 -8.848 817 3HB ALA 108 3HB ALA 108 -9.827 6.545 -10.234 818 H GLU 109 H GLU 109 -12.681 8.368 -8.460 819 HA GLU 109 HA GLU 109 -14.900 6.698 -7.867 820 1HB GLU 109 2HB GLU 109 -14.399 9.611 -7.186 821 2HB GLU 109 1HB GLU 109 -15.690 8.638 -6.479 822 1HG GLU 109 2HG GLU 109 -12.970 7.450 -6.396 823 2HG GLU 109 1HG GLU 109 -13.234 8.856 -5.362 824 H LYS 110 H LYS 110 -14.568 9.438 -10.038 825 HA LYS 110 HA LYS 110 -17.368 9.951 -10.424 826 1HB LYS 110 2HB LYS 110 -14.904 10.936 -11.460 827 2HB LYS 110 1HB LYS 110 -15.889 10.448 -12.839 828 1HG LYS 110 2HG LYS 110 -17.777 11.782 -11.953 829 2HG LYS 110 1HG LYS 110 -16.771 12.291 -10.596 830 1HD LYS 110 2HD LYS 110 -15.331 12.755 -13.039 831 2HD LYS 110 1HD LYS 110 -16.935 13.475 -13.178 832 1HE LYS 110 2HE LYS 110 -16.540 14.511 -10.887 833 2HE LYS 110 1HE LYS 110 -14.862 13.990 -11.034 834 1HZ LYS 110 1HZ LYS 110 -14.449 15.737 -12.302 835 2HZ LYS 110 2HZ LYS 110 -16.051 16.267 -12.114 836 3HZ LYS 110 3HZ LYS 110 -15.634 15.258 -13.416 837 H PHE 111 H PHE 111 -15.149 7.577 -11.750 838 HA PHE 111 HA PHE 111 -17.251 6.649 -13.643 839 1HB PHE 111 2HB PHE 111 -14.299 6.048 -13.376 840 2HB PHE 111 1HB PHE 111 -15.360 5.116 -14.433 841 HD1 PHE 111 HD1 PHE 111 -13.353 8.057 -14.140 842 HD2 PHE 111 HD2 PHE 111 -16.814 6.459 -16.121 843 HE1 PHE 111 HE1 PHE 111 -13.172 9.817 -15.877 844 HE2 PHE 111 HE2 PHE 111 -16.631 8.219 -17.858 845 HZ PHE 111 HZ PHE 111 -14.810 9.899 -17.736 846 H ASP 112 H ASP 112 -14.801 4.787 -11.840 847 HA ASP 112 HA ASP 112 -16.241 3.597 -9.838 848 1HB ASP 112 2HB ASP 112 -17.257 2.744 -12.482 849 2HB ASP 112 1HB ASP 112 -16.935 1.431 -11.349 850 H ILE 113 H ILE 113 -13.521 3.985 -10.782 851 HA ILE 113 HA ILE 113 -12.573 1.149 -10.797 852 HB ILE 113 HB ILE 113 -10.431 2.148 -11.735 853 1HG1 ILE 113 2HG1 ILE 113 -12.268 4.552 -11.982 854 2HG1 ILE 113 1HG1 ILE 113 -10.759 4.467 -11.073 855 1HG2 ILE 113 1HG2 ILE 113 -12.647 2.831 -13.618 856 2HG2 ILE 113 2HG2 ILE 113 -12.580 1.180 -13.000 857 3HG2 ILE 113 3HG2 ILE 113 -11.208 1.846 -13.887 858 1HD1 ILE 113 1HD1 ILE 113 -9.918 5.391 -13.000 859 2HD1 ILE 113 2HD1 ILE 113 -11.188 4.700 -14.009 860 3HD1 ILE 113 3HD1 ILE 113 -9.838 3.696 -13.479 861 H ILE 114 H ILE 114 -10.661 0.703 -9.483 862 HA ILE 114 HA ILE 114 -10.605 2.421 -7.061 863 HB ILE 114 HB ILE 114 -10.974 0.146 -6.500 864 1HG1 ILE 114 2HG1 ILE 114 -8.974 -0.473 -5.245 865 2HG1 ILE 114 1HG1 ILE 114 -7.978 0.575 -6.257 866 1HG2 ILE 114 1HG2 ILE 114 -9.595 -1.690 -7.395 867 2HG2 ILE 114 2HG2 ILE 114 -8.660 -0.534 -8.341 868 3HG2 ILE 114 3HG2 ILE 114 -10.365 -0.792 -8.703 869 1HD1 ILE 114 1HD1 ILE 114 -10.338 1.749 -4.823 870 2HD1 ILE 114 2HD1 ILE 114 -8.834 2.526 -5.316 871 3HD1 ILE 114 3HD1 ILE 114 -8.852 1.443 -3.923 872 H TYR 115 H TYR 115 -9.116 4.039 -7.291 873 HA TYR 115 HA TYR 115 -6.611 3.561 -8.761 874 1HB TYR 115 2HB TYR 115 -7.274 5.740 -9.160 875 2HB TYR 115 1HB TYR 115 -7.994 5.925 -7.561 876 HD1 TYR 115 HD1 TYR 115 -6.836 7.092 -5.895 877 HD2 TYR 115 HD2 TYR 115 -4.668 5.472 -9.232 878 HE1 TYR 115 HE1 TYR 115 -4.767 8.193 -5.084 879 HE2 TYR 115 HE2 TYR 115 -2.598 6.573 -8.420 880 HH TYR 115 HH TYR 115 -1.810 7.382 -5.916 881 H ASP 116 H ASP 116 -5.090 2.399 -7.663 882 HA ASP 116 HA ASP 116 -4.027 3.438 -5.162 883 1HB ASP 116 2HB ASP 116 -5.951 2.180 -4.283 884 2HB ASP 116 1HB ASP 116 -5.417 0.741 -5.152 885 H GLY 117 H GLY 117 -2.148 3.469 -6.579 886 1HA GLY 117 2HA GLY 117 -0.260 1.497 -6.247 887 2HA GLY 117 1HA GLY 117 -1.138 0.956 -7.677 888 H TRP 118 H TRP 118 0.521 3.842 -6.373 889 HA TRP 118 HA TRP 118 1.292 4.492 -9.189 890 1HB TRP 118 2HB TRP 118 1.042 6.757 -8.759 891 2HB TRP 118 1HB TRP 118 -0.218 6.105 -7.712 892 HD1 TRP 118 HD1 TRP 118 0.113 6.282 -5.127 893 HE1 TRP 118 HE1 TRP 118 1.838 7.493 -3.641 894 HE3 TRP 118 HE3 TRP 118 3.616 7.483 -8.642 895 HZ2 TRP 118 HZ2 TRP 118 4.368 8.797 -3.910 896 HZ3 TRP 118 HZ3 TRP 118 5.672 8.708 -8.001 897 HH2 TRP 118 HH2 TRP 118 6.053 9.366 -5.641 898 H GLY 119 H GLY 119 3.485 4.959 -9.568 899 1HA GLY 119 2HA GLY 119 5.392 5.357 -7.431 900 2HA GLY 119 1HA GLY 119 5.459 3.702 -8.040 901 H THR 120 H THR 120 7.724 5.066 -8.421 902 HA THR 120 HA THR 120 7.724 5.530 -11.353 903 HB THR 120 HB THR 120 7.553 7.781 -10.498 904 HG1 THR 120 HG1 THR 120 9.048 8.088 -11.936 905 1HG2 THR 120 1HG2 THR 120 8.162 8.147 -8.362 906 2HG2 THR 120 2HG2 THR 120 9.841 8.135 -8.903 907 3HG2 THR 120 3HG2 THR 120 9.091 6.648 -8.319 908 H TYR 121 H TYR 121 10.105 5.700 -12.114 909 HA TYR 121 HA TYR 121 11.896 4.090 -10.354 910 1HB TYR 121 2HB TYR 121 12.406 2.543 -12.050 911 2HB TYR 121 1HB TYR 121 10.664 2.757 -12.225 912 HD1 TYR 121 HD1 TYR 121 13.962 3.451 -13.684 913 HD2 TYR 121 HD2 TYR 121 9.731 4.089 -14.071 914 HE1 TYR 121 HE1 TYR 121 14.292 4.231 -16.015 915 HE2 TYR 121 HE2 TYR 121 10.062 4.868 -16.402 916 HH TYR 121 HH TYR 121 11.564 4.887 -18.136 917 H TYR 122 H TYR 122 14.091 4.627 -10.554 918 HA TYR 122 HA TYR 122 14.967 7.144 -11.056 919 1HB TYR 122 2HB TYR 122 16.233 4.656 -10.791 920 2HB TYR 122 1HB TYR 122 16.870 5.324 -12.293 921 HD1 TYR 122 HD1 TYR 122 16.018 6.456 -8.815 922 HD2 TYR 122 HD2 TYR 122 18.707 6.749 -12.153 923 HE1 TYR 122 HE1 TYR 122 17.461 7.998 -7.517 924 HE2 TYR 122 HE2 TYR 122 20.150 8.292 -10.855 925 HH TYR 122 HH TYR 122 19.900 8.687 -7.537 926 H GLU 123 H GLU 123 14.804 8.510 -12.753 927 HA GLU 123 HA GLU 123 14.270 7.397 -15.446 928 1HB GLU 123 2HB GLU 123 13.096 9.454 -14.187 929 2HB GLU 123 1HB GLU 123 14.413 10.337 -14.961 930 1HG GLU 123 2HG GLU 123 13.733 9.126 -17.124 931 2HG GLU 123 1HG GLU 123 12.252 8.684 -16.274 932 H GLY 124 H GLY 124 16.840 6.818 -14.779 933 1HA GLY 124 2HA GLY 124 18.347 8.474 -16.693 934 2HA GLY 124 1HA GLY 124 18.965 8.482 -15.040 935 H LEU 125 H LEU 125 17.406 5.590 -16.097 936 HA LEU 125 HA LEU 125 20.033 4.341 -16.746 937 1HB LEU 125 2HB LEU 125 18.064 3.475 -14.625 938 2HB LEU 125 1HB LEU 125 19.210 2.342 -15.343 939 HG LEU 125 HG LEU 125 20.335 4.934 -14.428 940 1HD1 LEU 125 1HD1 LEU 125 19.202 2.836 -12.568 941 2HD1 LEU 125 2HD1 LEU 125 18.935 4.580 -12.533 942 3HD1 LEU 125 3HD1 LEU 125 20.504 3.918 -12.076 943 1HD2 LEU 125 1HD2 LEU 125 21.759 3.191 -15.383 944 2HD2 LEU 125 2HD2 LEU 125 21.155 2.018 -14.213 945 3HD2 LEU 125 3HD2 LEU 125 22.141 3.378 -13.671 946 H GLU 126 H GLU 126 19.587 3.837 -18.871 947 HA GLU 126 HA GLU 126 17.401 1.896 -19.339 948 1HB GLU 126 2HB GLU 126 16.762 3.211 -21.435 949 2HB GLU 126 1HB GLU 126 16.257 3.920 -19.901 950 1HG GLU 126 2HG GLU 126 18.260 5.377 -19.925 951 2HG GLU 126 1HG GLU 126 18.730 4.688 -21.480 952 H HIS 127 H HIS 127 20.217 3.650 -20.605 953 HA HIS 127 HA HIS 127 20.603 1.718 -22.772 954 1HB HIS 127 2HB HIS 127 21.333 3.963 -23.209 955 2HB HIS 127 1HB HIS 127 22.279 4.009 -21.721 956 HD2 HIS 127 HD2 HIS 127 24.880 3.046 -21.990 957 HE1 HIS 127 HE1 HIS 127 24.466 1.400 -25.856 958 HE2 HIS 127 HE2 HIS 127 26.108 1.914 -23.992 959 H HIS 128 H HIS 128 20.733 -0.246 -21.460 960 HA HIS 128 HA HIS 128 22.936 -0.512 -19.546 961 1HB HIS 128 2HB HIS 128 22.203 -2.856 -19.383 962 2HB HIS 128 1HB HIS 128 20.819 -1.770 -19.251 963 HD2 HIS 128 HD2 HIS 128 19.410 -4.174 -20.355 964 HE1 HIS 128 HE1 HIS 128 20.661 -3.302 -24.293 965 HE2 HIS 128 HE2 HIS 128 19.055 -4.675 -22.890 966 H HIS 129 H HIS 129 23.933 -3.053 -20.191 967 HA HIS 129 HA HIS 129 25.181 -2.612 -22.873 968 1HB HIS 129 2HB HIS 129 26.632 -2.059 -20.785 969 2HB HIS 129 1HB HIS 129 26.702 -3.806 -20.560 970 HD2 HIS 129 HD2 HIS 129 29.385 -2.012 -21.627 971 HE1 HIS 129 HE1 HIS 129 28.722 -4.134 -25.218 972 HE2 HIS 129 HE2 HIS 129 30.403 -2.758 -23.909 973 H HIS 130 H HIS 130 26.776 -5.151 -21.824 974 HA HIS 130 HA HIS 130 24.702 -7.066 -22.801 975 1HB HIS 130 2HB HIS 130 26.916 -6.787 -24.063 976 2HB HIS 130 1HB HIS 130 27.682 -7.562 -22.676 977 HD2 HIS 130 HD2 HIS 130 27.766 -10.297 -22.995 978 HE1 HIS 130 HE1 HIS 130 24.408 -10.727 -25.521 979 HE2 HIS 130 HE2 HIS 130 26.293 -11.964 -24.359 980 H HIS 131 H HIS 131 23.705 -7.650 -20.857 981 HA HIS 131 HA HIS 131 25.305 -9.380 -19.091 982 1HB HIS 131 2HB HIS 131 23.753 -7.058 -17.916 983 2HB HIS 131 1HB HIS 131 24.777 -8.204 -17.051 984 HD2 HIS 131 HD2 HIS 131 25.299 -5.325 -19.755 985 HE1 HIS 131 HE1 HIS 131 28.904 -5.900 -17.629 986 HE2 HIS 131 HE2 HIS 131 27.743 -4.490 -19.390 987 H HIS 132 HN HIS 132 23.861 -10.580 -17.567 988 HA HIS 132 HA HIS 132 21.453 -11.447 -18.903 989 1HB HIS 132 2HB HIS 132 22.620 -12.003 -16.167 990 2HB HIS 132 1HB HIS 132 21.094 -12.708 -16.701 991 HD2 HIS 132 HD2 HIS 132 23.058 -15.089 -16.457 992 HE1 HIS 132 HE1 HIS 132 24.278 -14.472 -20.453 993 HE2 HIS 132 HE2 HIS 132 24.277 -16.117 -18.521
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